A0A3Q0KP53_SCHMA Loading...

Pitrilysin

AlphaFold DB , UniProt , Accession A0A3Q0KP53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,003 aa.

						>A0A3Q0KP53_SCHMA|A0A3Q0KP53
MSIVDCINSADSSSPVVQKSANDLREYKVMRLCNRMKVLLISDPETDKSAVCLSVNIGSLSDPKELPGLAHFCEHMLFLGTKSFPTENTYLKYITDHGGHCNAFTSPDKTSYVFDVAPESLRGALDIFSQFFVCPLFTDSATEREVSAVQSEHEKDSSNDTRRLFQLERNLSKGGHDYTKFFSGNRYSLFESSCAKSVNTREKLLQFYSTWYSSNLMSLVILGRESINDLQKLAEDKFSEVIDRNVVQPSWNDTPWPDICLKKMVYVVPLNDIHQMNIMWPIPDYIPDYTAQAPSYVTHLLGHESRGSLLSLFKNAGWANRLACGVSRPAAGICSLILSIDLTLKGLEKTNEIMTNIYQYINMLLSDEPQKWIFDEEQALCQLNFRFKDKEPPYEYVTGLAGNLLLYEMQDVLTGSFLATVYDPDLIRKILSCLTPDNSRVFLVSKTFTDKCVEEEPWYHTKYLVIDIPENTLSVWRNSSTNPELRFPEPNPFIATEFNLVENKYPTNAEIPELLIETDMSRIWYFQDREFNLPKGFITFHIVSPLAFFDPFHTSLCLIYANLFEDHINELTYSSMLAGMTVYVKHTAEGIKLTFLGYSHKLKSFVEEIATQFVNYQPATDRFECIRENMSREFSNFTMKPAYQQSGAYLTSLISDHSWISDDFVRAFKEITYERLINFTMQFHERIFIEGFIYGNITEEDAISYHEMIRGLLVQKMTSKPLLLSHILTSREVIIPEGNPIFVLFANSQIANCIQPNLLNFSPLDSFLYQRYISGQPASAIYYYLQCGEQSTLNDTLLNLFCQIVNEPVFNKLRTEQQLGYIVQAGLRRSNKLQGFRILVQSSYHPNKIDKCIEEFLLTVNKLLEDMSDEEFNVHVQSLLTHLLEKPKGMQDRFGRLWSEIACRHYNFKRNLHEADVLKSLKKNDVIDFFKRHMDPSSCTRRKLTVHVLSNEKHSCDSEYNNHDEKVIVLKDYTELKRCCPLSALARPFMMFTSKCEGNVLRF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	34.1	Very low	245 Å²	245	138.5 Å²	138.5	100%	1.207	81%	0.805	S	S	*	*				0	139.9	0	-87.4	168.3	176.7	0	0	107.3
2	S	35.2	Very low	34.1	Very low	83 Å²	83	134.5 Å²	134.5	58%	0.58	79%	0.79	S	S	*	*			trans	-55.3	138.7	-153.7	35.7	0	0	0	0	116.7	V4 D5	S2-V4 PolarHBondContact O-N 3.42Å; S2-V4 VanDerWaalsContact O-N 3.13Å; S2-D5 PolarHBondContact OG-OD2 2.97Å; S2-D5 VanDerWaalsContact OG-OD2 3.12Å
3	I	39.5	Very low	35.8	Very low	175 Å²	175	132.8 Å²	132.8	90%	0.897	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	12.8	179.3	-76	166.6	0	0	0	113.3
4	V	40.7	Very low	37.7	Very low	111 Å²	111	128.1 Å²	128.1	67%	0.673	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-6.1	-166.4	-173	0	0	0	0	114.4	S2	S2-V4 PolarHBondContact O-N 3.42Å; S2-V4 VanDerWaalsContact O-N 3.13Å
5	D	31.2	Very low	40.5	Very low	129 Å²	129	123 Å²	123	69%	0.69	74%	0.738	S	S	*	*	S	Bend	trans	-104	9.1	-169.6	-65.1	-49.8	0	0	0	116.4	S2	S2-D5 PolarHBondContact OG-OD2 2.97Å; S2-D5 VanDerWaalsContact OG-OD2 3.12Å
6	C	31.4	Very low	43.3	Very low	124 Å²	124	123.6 Å²	123.6	84%	0.838	74%	0.742	S	S	*	*	S	Bend	trans	-106.2	10.2	-178.6	-74.8	0	0	0	0	116
7	I	36.1	Very low	46	Very low	145 Å²	145	117.3 Å²	117.3	74%	0.744	71%	0.705	S	S	*	*	S	Bend	trans	-87.4	-5.6	-175	-65.2	176.3	0	0	0	113.5
8	N	29.6	Very low	48.3	Very low	159 Å²	159	116.6 Å²	116.6	85%	0.85	69%	0.692	S	S	*	*			trans	-127.5	44.9	-170.4	-76.7	-35	0	0	0	116.2
9	S	30.3	Very low	50.5	Low	104 Å²	104	114.9 Å²	114.9	73%	0.727	68%	0.676	S	S	*	*			trans	-121.6	69.6	158.3	66.6	0	0	0	0	110.1	D11	S9-D11 PolarHBondContact O-N 2.93Å
10	A	30.4	Very low	52.5	Low	109 Å²	109	109.9 Å²	109.9	90%	0.901	65%	0.646	S	S	*	*			trans	-70.3	82.2	161.5	0	0	0	0	0	107.9	S12	A10-S12 PolarHBondContact O-N 3.18Å
11	D	33.3	Very low	54	Low	140 Å²	140	109 Å²	109	75%	0.749	65%	0.652	S	S	*	*			trans	-79.4	117.4	174.9	-144.5	-16.3	0	0	0	109.5	S9	S9-D11 PolarHBondContact O-N 2.93Å
12	S	34.5	Very low	56.2	Low	90 Å²	90	101.1 Å²	101.1	63%	0.629	62%	0.615	S	S	*	*	S	Bend	trans	31.6	112.1	150.2	52.7	0	0	0	0	120.4	A10	A10-S12 PolarHBondContact O-N 3.18Å
13	S	55.3	Low	58.8	Low	113 Å²	113	98.2 Å²	98.2	79%	0.79	59%	0.592	S	S	*	*			trans	26.4	106.1	163.3	61.1	0	0	0	0	118.3
14	S	63.4	Low	61.2	Low	67 Å²	67	96.9 Å²	96.9	47%	0.469	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-48.8	136.7	166.6	-57.4	0	0	0	0	111	V16	S14-V16 PolarHBondContact O-N 3.4Å
15	P	78.8	Confident	63.8	Low	51 Å²	51	92.2 Å²	92.2	33%	0.331	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-59.2	140.1	-179.3	13.5	-19.9	0	0	0	111.1	V29 Q410	P15-V29 HydrophobicContact CB-CG2 4.36Å; P15-V29 HydrophobicContact CG-CG2 3.75Å; P15-V29 WeakPolarHBondContact O-CG2 3.36Å; P15-Q410 HydrophobicContact CB-CB 3.95Å
16	V	85.2	Confident	66.9	Low	132 Å²	132	91.4 Å²	91.4	80%	0.8	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-80.5	122.8	179.5	-178.6	0	0	0	0	108.8	S14	S14-V16 PolarHBondContact O-N 3.4Å
17	V	90	Very high	70	Confident	17 Å²	17	87.2 Å²	87.2	10%	0.103	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-77	126.2	175.8	-178.4	0	0	0	0	109.6	K19 V29 V412 L413	V17-K19 PolarHBondContact O-N 3.08Å; V17-V29 HydrophobicContact CG2-CB 4.3Å; V17-V29 HydrophobicContact CG2-CG1 3.59Å; V17-V29 HydrophobicContact CG2-CG2 3.82Å; V17-V412 HydrophobicContact CG1-CG1 3.99Å; V17-V412 HydrophobicContact CG2-CG1 4.48Å; V17-L413 HydrophobicContact CG1-CB 4.35Å; V17-L413 HydrophobicContact CG1-CD1 3.47Å; V17-L413 VanDerWaalsContact CG1-CD1 3.47Å; V17-L413 HydrophobicContact CG1-CG 3.5Å
18	Q	87	Confident	72.9	Confident	104 Å²	104	82.8 Å²	82.8	49%	0.486	49%	0.491	S	S	.	.			trans	-75.5	112.4	174	-175	179.3	1.2	0	0	110.1	T414	Q18-T414 HydrophobicContact CB-CG2 3.97Å; Q18-T414 HydrophobicContact CG-CG2 4.03Å
19	K	91.1	Very high	76.1	Confident	86 Å²	86	75.2 Å²	75.2	37%	0.374	45%	0.451	S	S	.	.			trans	-111.4	166	175.8	67.4	170.9	-179.3	165.6	0	112.4	V17 D23 R25 Y27 L413	V17-K19 PolarHBondContact O-N 3.08Å; K19-D23 HydrophobicContact CD-CB 4.33Å; K19-D23 WeakPolarHBondContact CE-O 2.99Å; K19-D23 PolarHBondContact NZ-O 2.66Å; K19-R25 PolarHBondContact NZ-O 3.12Å; K19-Y27 HydrophobicContact CB-CD2 4.39Å; K19-Y27 HydrophobicContact CB-CE2 4.21Å; K19-Y27 HydrophobicContact CD-CD2 3.92Å; K19-Y27 HydrophobicContact CD-CE2 3.93Å; K19-L413 HydrophobicContact CB-CD1 3.88Å
20	S	89	Confident	79.2	Confident	13 Å²	13	71.3 Å²	71.3	9%	0.091	42%	0.421	C	S	.	.			trans	-64.3	146.1	170.2	176.6	0	0	0	0	110.9	N22 D23 F385 R386	S20-N22 PolarHBondContact O-N 3.45Å; S20-N22 PolarHBondContact OG-N 2.85Å; S20-D23 PolarHBondContact O-N 3.35Å; S20-D23 VanDerWaalsContact O-N 3.08Å; S20-F385 WeakPolarHBondContact CB-O 3.36Å; S20-F385 PolarHBondContact OG-O 3.08Å; S20-R386 WeakPolarHBondContact OG-CA 3.34Å; S20-R386 PolarHBondContact OG-O 3.39Å
21	A	85.4	Confident	82.3	Confident	92 Å²	92	72 Å²	72	76%	0.76	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.7	174.2	0	0	0	0	0	112.9
22	N	83.8	Confident	85.4	Confident	80 Å²	80	65.8 Å²	65.8	43%	0.428	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.5	177.7	-65.7	-30.4	0	0	0	112.9	S20 L24 R386 F387	S20-N22 PolarHBondContact O-N 3.45Å; S20-N22 PolarHBondContact OG-N 2.85Å; N22-L24 PolarHBondContact O-N 3.21Å; N22-R386 PolarHBondContact ND2-O 3.3Å; N22-F387 WeakPolarHBondContact ND2-CD1 3.35Å
23	D	88.5	Confident	88.3	Confident	21 Å²	21	66.9 Å²	66.9	11%	0.112	37%	0.373	C	S	.	.			trans	-88	108.5	-179.6	-169	-9.7	0	0	0	111.1	K19 S20 R25 Y27	K19-D23 HydrophobicContact CD-CB 4.33Å; K19-D23 WeakPolarHBondContact CE-O 2.99Å; K19-D23 PolarHBondContact NZ-O 2.66Å; S20-D23 PolarHBondContact O-N 3.35Å; S20-D23 VanDerWaalsContact O-N 3.08Å; D23-R25 VanDerWaalsContact C-N 3.3Å; D23-R25 PolarHBondContact O-N 3.45Å; D23-R25 VanDerWaalsContact OD1-CB 3.22Å; D23-R25 WeakPolarHBondContact OD1-CB 3.45Å; D23-R25 WeakPolarHBondContact OD1-CG 3.41Å; D23-R25 IonicContact OD1-CZ 3.04Å; D23-R25 PolarHBondContact OD1-N 3.11Å; D23-R25 IonicContact OD1-NE 3.84Å; D23-R25 PolarHBondContact OD1-NE 3.43Å; D23-R25 IonicContact OD1-NH2 3.85Å; D23-R25 IonicContact OD2-CZ 3.81Å; D23-R25 IonicContact OD2-NE 3.26Å; D23-R25 PolarHBondContact OD2-NE 2.92Å; D23-R25 IonicContact OD2-NH2 3.8Å; D23-R25 PolarHBondContact OD2-NH2 2.77Å; D23-Y27 WeakPolarHBondContact OD2-CE2 3.1Å; D23-Y27 PolarHBondContact OD2-OH 2.93Å
24	L	90.1	Very high	90.2	Very high	148 Å²	148	62 Å²	62	78%	0.775	34%	0.338	S	S	*	.			trans	-77.8	-12.5	179.8	-58.1	-178.2	0	0	0	113.4	N22	N22-L24 PolarHBondContact O-N 3.21Å
25	R	94.6	Very high	91.8	Very high	13 Å²	13	62.9 Å²	62.9	5%	0.049	33%	0.332	C	S	.	.			trans	-65.1	144.6	179.3	-61.5	169.8	-74	-168.2	6.5	110.8	K19 D23 Y27 I41 D43 E391 Y396	K19-R25 PolarHBondContact NZ-O 3.12Å; D23-R25 VanDerWaalsContact C-N 3.3Å; D23-R25 PolarHBondContact O-N 3.45Å; D23-R25 VanDerWaalsContact OD1-CB 3.22Å; D23-R25 WeakPolarHBondContact OD1-CB 3.45Å; D23-R25 WeakPolarHBondContact OD1-CG 3.41Å; D23-R25 IonicContact OD1-CZ 3.04Å; D23-R25 PolarHBondContact OD1-N 3.11Å; D23-R25 IonicContact OD1-NE 3.84Å; D23-R25 PolarHBondContact OD1-NE 3.43Å; D23-R25 IonicContact OD1-NH2 3.85Å; D23-R25 IonicContact OD2-CZ 3.81Å; D23-R25 IonicContact OD2-NE 3.26Å; D23-R25 PolarHBondContact OD2-NE 2.92Å; D23-R25 IonicContact OD2-NH2 3.8Å; D23-R25 PolarHBondContact OD2-NH2 2.77Å; R25-Y27 HydrophobicContact CB-CE2 3.73Å; R25-Y27 VanDerWaalsContact CZ-OH 3.28Å; R25-Y27 PolarHBondContact NE-OH 2.98Å; R25-Y27 PolarHBondContact NH2-OH 3.3Å; R25-Y27 WeakPolarHBondContact O-CD2 3.25Å; R25-Y27 WeakPolarHBondContact O-CE2 3.37Å; R25-I41 HydrophobicContact CB-CG2 4.07Å; R25-I41 HydrophobicContact CG-CG2 4.43Å; R25-D43 HydrophobicContact CG-CB 4.02Å; R25-E391 IonicContact CZ-OE2 2.82Å; R25-E391 IonicContact NH1-OE2 3.45Å; R25-E391 PolarHBondContact NH1-OE2 2.72Å; R25-E391 VanDerWaalsContact NH1-OE2 3.12Å; R25-E391 IonicContact NH2-OE2 2.76Å; R25-E391 PolarHBondContact NH2-OE2 2.79Å; R25-Y396 VanDerWaalsContact CZ-CE1 3.48Å; R25-Y396 VanDerWaalsContact NH1-CD1 3.34Å; R25-Y396 PolarHBondContact NH2-OH 3.19Å
26	E	96.2	Very high	92.7	Very high	112 Å²	112	60.5 Å²	60.5	52%	0.523	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.2	172	-65.1	-175.9	172.7	0	0	110.1	I41 S42 I227	E26-I41 WeakPolarHBondContact O-CA 3.45Å; E26-S42 PolarHBondContact N-O 2.84Å; E26-S42 PolarHBondContact O-N 3.16Å; E26-I227 HydrophobicContact CB-CD1 4.23Å; E26-I227 HydrophobicContact CB-CG1 3.98Å
27	Y	97.2	Very high	93.3	Very high	36 Å²	36	56.5 Å²	56.5	14%	0.141	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.7	-176	-63.3	-91.2	0	0	0	111	K19 D23 R25 L39 L40 I41 Y396 L413	K19-Y27 HydrophobicContact CB-CD2 4.39Å; K19-Y27 HydrophobicContact CB-CE2 4.21Å; K19-Y27 HydrophobicContact CD-CD2 3.92Å; K19-Y27 HydrophobicContact CD-CE2 3.93Å; D23-Y27 WeakPolarHBondContact OD2-CE2 3.1Å; D23-Y27 PolarHBondContact OD2-OH 2.93Å; R25-Y27 HydrophobicContact CB-CE2 3.73Å; R25-Y27 VanDerWaalsContact CZ-OH 3.28Å; R25-Y27 PolarHBondContact NE-OH 2.98Å; R25-Y27 PolarHBondContact NH2-OH 3.3Å; R25-Y27 WeakPolarHBondContact O-CD2 3.25Å; R25-Y27 WeakPolarHBondContact O-CE2 3.37Å; Y27-L39 HydrophobicContact CD1-CD1 4.19Å; Y27-L40 WeakPolarHBondContact CA-O 3.46Å; Y27-I41 HydrophobicContact CD1-CB 4.44Å; Y27-I41 HydrophobicContact CD1-CD1 4.39Å; Y27-I41 HydrophobicContact CD1-CG1 3.83Å; Y27-I41 HydrophobicContact CD1-CG2 4.2Å; Y27-I41 HydrophobicContact CE1-CB 4.35Å; Y27-I41 HydrophobicContact CE1-CD1 3.96Å; Y27-I41 HydrophobicContact CE1-CG1 3.82Å; Y27-I41 HydrophobicContact CE1-CG2 3.76Å; Y27-Y396 HydrophobicContact CE1-CE1 4.15Å; Y27-Y396 WeakPolarHBondContact OH-CE1 3.49Å; Y27-Y396 PolarHBondContact OH-OH 2.8Å; Y27-L413 HydrophobicContact CD1-CD1 4.3Å; Y27-L413 HydrophobicContact CD2-CD1 4.39Å; Y27-L413 HydrophobicContact CE1-CD1 4.09Å; Y27-L413 HydrophobicContact CE1-CD2 4.19Å; Y27-L413 HydrophobicContact CE2-CD1 4.18Å; Y27-L413 HydrophobicContact CG-CD1 4.44Å
28	K	96.9	Very high	93.7	Very high	52 Å²	52	55.7 Å²	55.7	23%	0.226	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	124.7	168.1	-177.9	174.3	-177.3	174.6	0	110.4	L40 I227	K28-L40 HydrophobicContact CB-CB 4.44Å; K28-L40 PolarHBondContact N-O 3.17Å; K28-L40 PolarHBondContact O-N 3.31Å; K28-I227 HydrophobicContact CB-CD1 4.31Å; K28-I227 HydrophobicContact CB-CG2 3.57Å; K28-I227 HydrophobicContact CD-CG2 3.42Å; K28-I227 VanDerWaalsContact CD-CG2 3.42Å; K28-I227 HydrophobicContact CG-CG2 4.14Å
29	V	96.8	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.8	168.5	-71.9	0	0	0	0	110.2	P15 V17 V38 L39 M409 V412	P15-V29 HydrophobicContact CB-CG2 4.36Å; P15-V29 HydrophobicContact CG-CG2 3.75Å; P15-V29 WeakPolarHBondContact O-CG2 3.36Å; V17-V29 HydrophobicContact CG2-CB 4.3Å; V17-V29 HydrophobicContact CG2-CG1 3.59Å; V17-V29 HydrophobicContact CG2-CG2 3.82Å; V29-V38 WeakPolarHBondContact CA-O 3.27Å; V29-L39 HydrophobicContact CG1-CB 4.43Å; V29-L39 HydrophobicContact CG1-CD1 3.47Å; V29-L39 VanDerWaalsContact CG1-CD1 3.47Å; V29-M409 HydrophobicContact CB-CB 4.25Å; V29-M409 HydrophobicContact CG1-CB 4.42Å; V29-M409 HydrophobicContact CG2-CB 4.41Å; V29-V412 HydrophobicContact CG1-CG1 4.32Å
30	M	96	Very high	94.6	Very high	22 Å²	22	46.6 Å²	46.6	11%	0.108	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	172.5	177.9	65.7	-176.6	-79.3	0	0	111.5	L32 V38 L40 Q231 E235	M30-L32 HydrophobicContact CE-CD2 3.93Å; M30-V38 HydrophobicContact CG-CB 3.9Å; M30-V38 HydrophobicContact CG-CG1 4.42Å; M30-V38 PolarHBondContact N-O 2.83Å; M30-V38 PolarHBondContact O-N 3.17Å; M30-L40 HydrophobicContact SD-CD1 3.97Å; M30-Q231 HydrophobicContact CE-CG 3.83Å; M30-Q231 HydrophobicContact SD-CB 4.28Å; M30-Q231 HydrophobicContact SD-CG 3.71Å; M30-E235 HydrophobicContact CE-CG 4.45Å
31	R	96.1	Very high	95.1	Very high	124 Å²	124	46 Å²	46	47%	0.468	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.1	172.1	-170.4	-178	-69.5	-103	11.2	108.4	R35 M36	R31-R35 WeakPolarHBondContact CG-O 3.5Å; R31-R35 PolarHBondContact NH1-O 3.48Å; R31-M36 VanDerWaalsContact CA-O 3.31Å; R31-M36 WeakPolarHBondContact CA-O 3.33Å
32	L	96.6	Very high	95.7	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	20%	0.203	C	C	.	.			trans	-71.2	166.7	175.3	-66.8	178.5	0	0	0	111.1	M30 N34 R35 M36 V38 E235 F238	M30-L32 HydrophobicContact CE-CD2 3.93Å; L32-N34 VanDerWaalsContact CB-OD1 3.22Å; L32-N34 WeakPolarHBondContact CB-OD1 3.45Å; L32-N34 PolarHBondContact O-N 2.9Å; L32-N34 VanDerWaalsContact O-N 3.17Å; L32-R35 WeakPolarHBondContact O-CA 3.34Å; L32-R35 PolarHBondContact O-N 2.77Å; L32-M36 HydrophobicContact CB-CB 4.36Å; L32-M36 HydrophobicContact CD1-CB 4.26Å; L32-M36 HydrophobicContact CD1-SD 4.1Å; L32-M36 PolarHBondContact N-O 3.21Å; L32-V38 HydrophobicContact CD1-CG2 3.97Å; L32-V38 HydrophobicContact CD2-CG2 4.46Å; L32-V38 HydrophobicContact CG-CG2 3.74Å; L32-E235 HydrophobicContact CD2-CG 3.75Å; L32-F238 HydrophobicContact CD1-CB 3.86Å
33	C	95.4	Very high	96.3	Very high	112 Å²	112	38.5 Å²	38.5	76%	0.757	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.3	178.2	60.9	0	0	0	0	113.1	R35	C33-R35 VanDerWaalsContact C-N 3.27Å; C33-R35 PolarHBondContact O-N 2.95Å
34	N	96.8	Very high	96.6	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.053	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	20.3	174.4	68	-0.8	0	0	0	113.3	L32 M36 S214 F238 V241 D243	L32-N34 VanDerWaalsContact CB-OD1 3.22Å; L32-N34 WeakPolarHBondContact CB-OD1 3.45Å; L32-N34 PolarHBondContact O-N 2.9Å; L32-N34 VanDerWaalsContact O-N 3.17Å; N34-M36 PolarHBondContact O-N 3.38Å; N34-M36 VanDerWaalsContact O-N 3.12Å; N34-M36 WeakPolarHBondContact OD1-CB 3.41Å; N34-M36 PolarHBondContact OD1-N 2.85Å; N34-S214 WeakPolarHBondContact CB-OG 3.31Å; N34-S214 WeakPolarHBondContact ND2-CB 3.44Å; N34-S214 VanDerWaalsContact O-CB 3.3Å; N34-S214 WeakPolarHBondContact O-CB 3.26Å; N34-S214 PolarHBondContact O-OG 2.81Å; N34-F238 PolarHBondContact ND2-O 3.49Å; N34-V241 PolarHBondContact ND2-O 3.43Å; N34-D243 HydrophobicContact CB-CB 4.27Å
35	R	96.5	Very high	96.6	Very high	87 Å²	87	41 Å²	41	33%	0.328	20%	0.2	S	C	.	.			trans	65.5	3.2	177	-61.2	-172.9	-66.1	176.6	-5.8	117.5	R31 L32 C33 K37 N215 D243 N245	R31-R35 WeakPolarHBondContact CG-O 3.5Å; R31-R35 PolarHBondContact NH1-O 3.48Å; L32-R35 WeakPolarHBondContact O-CA 3.34Å; L32-R35 PolarHBondContact O-N 2.77Å; C33-R35 VanDerWaalsContact C-N 3.27Å; C33-R35 PolarHBondContact O-N 2.95Å; R35-K37 PolarHBondContact O-N 3.06Å; R35-N215 HydrophobicContact CB-CB 4.08Å; R35-D243 IonicContact CZ-OD1 3.65Å; R35-D243 IonicContact CZ-OD2 3.19Å; R35-D243 IonicContact NE-OD1 2.94Å; R35-D243 IonicContact NE-OD2 3.55Å; R35-D243 PolarHBondContact NE-OD2 3.43Å; R35-D243 IonicContact NH2-OD1 3.18Å; R35-D243 PolarHBondContact NH2-OD1 3.49Å; R35-D243 IonicContact NH2-OD2 3.77Å; R35-D243 PolarHBondContact NH2-OD2 2.85Å; R35-N245 VanDerWaalsContact CZ-OD1 3.31Å; R35-N245 PolarHBondContact NH1-OD1 3.49Å; R35-N245 PolarHBondContact NH2-OD1 2.62Å
36	M	97.9	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.			trans	-59.5	132.5	172.9	-175.8	-178.1	-62	0	0	110.8	R31 L32 N34 V38 L53 S214 M217 L219 F238 V241	R31-M36 VanDerWaalsContact CA-O 3.31Å; R31-M36 WeakPolarHBondContact CA-O 3.33Å; L32-M36 HydrophobicContact CB-CB 4.36Å; L32-M36 HydrophobicContact CD1-CB 4.26Å; L32-M36 HydrophobicContact CD1-SD 4.1Å; L32-M36 PolarHBondContact N-O 3.21Å; N34-M36 PolarHBondContact O-N 3.38Å; N34-M36 VanDerWaalsContact O-N 3.12Å; N34-M36 WeakPolarHBondContact OD1-CB 3.41Å; N34-M36 PolarHBondContact OD1-N 2.85Å; M36-V38 HydrophobicContact CG-CG2 4.34Å; M36-L53 HydrophobicContact CE-CD1 4.37Å; M36-S214 VanDerWaalsContact CA-O 3.27Å; M36-S214 WeakPolarHBondContact CA-O 3.44Å; M36-M217 HydrophobicContact CE-CB 4.01Å; M36-M217 HydrophobicContact CE-SD 3.78Å; M36-M217 HydrophobicContact CG-CB 3.97Å; M36-M217 HydrophobicContact SD-CB 4.44Å; M36-L219 HydrophobicContact CG-CB 4.48Å; M36-L219 HydrophobicContact SD-CB 3.86Å; M36-L219 HydrophobicContact SD-CD2 4.09Å; M36-F238 HydrophobicContact CE-CB 4.14Å; M36-F238 HydrophobicContact CE-CD1 4.35Å; M36-F238 HydrophobicContact SD-CB 4.05Å; M36-F238 HydrophobicContact SD-CD1 4.42Å; M36-F238 HydrophobicContact SD-CG 4.42Å; M36-V241 HydrophobicContact CE-CB 4.12Å; M36-V241 HydrophobicContact CE-CG1 4.29Å; M36-V241 HydrophobicContact CE-CG2 4.16Å
37	K	97.9	Very high	96.1	Very high	48 Å²	48	36.3 Å²	36.3	21%	0.209	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.1	174.3	-62.2	-177.1	-173.2	-178.6	0	109.1	R35 M217 S218 L219 L404 M409	R35-K37 PolarHBondContact O-N 3.06Å; K37-M217 PolarHBondContact N-O 2.88Å; K37-M217 VanDerWaalsContact N-O 3.11Å; K37-S218 CarbonylContact O-C 3.55Å; K37-S218 WeakPolarHBondContact O-CA 3.38Å; K37-L219 PolarHBondContact O-N 2.94Å; K37-L404 VanDerWaalsContact CD-O 3.25Å; K37-L404 WeakPolarHBondContact CD-O 3.41Å; K37-L404 PolarHBondContact NZ-O 2.93Å; K37-M409 HydrophobicContact CB-SD 4.31Å; K37-M409 HydrophobicContact CD-CG 4.24Å; K37-M409 HydrophobicContact CD-SD 4.27Å; K37-M409 HydrophobicContact CG-SD 4.06Å
38	V	98.3	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.1	-177.1	-174.2	0	0	0	0	110.9	V29 M30 L32 M36 L40 L219 A234	V29-V38 WeakPolarHBondContact CA-O 3.27Å; M30-V38 HydrophobicContact CG-CB 3.9Å; M30-V38 HydrophobicContact CG-CG1 4.42Å; M30-V38 PolarHBondContact N-O 2.83Å; M30-V38 PolarHBondContact O-N 3.17Å; L32-V38 HydrophobicContact CD1-CG2 3.97Å; L32-V38 HydrophobicContact CD2-CG2 4.46Å; L32-V38 HydrophobicContact CG-CG2 3.74Å; M36-V38 HydrophobicContact CG-CG2 4.34Å; V38-L40 HydrophobicContact CG1-CD2 3.55Å; V38-L40 HydrophobicContact CG1-CG 4.08Å; V38-L219 CarbonylContact C-O 3.03Å; V38-L219 VanDerWaalsContact CA-O 3.26Å; V38-L219 WeakPolarHBondContact CA-O 3.3Å; V38-L219 HydrophobicContact CG1-CD2 4.32Å; V38-L219 HydrophobicContact CG1-CG 4.45Å; V38-L219 HydrophobicContact CG2-CB 4.28Å; V38-L219 HydrophobicContact CG2-CD2 4.3Å; V38-A234 HydrophobicContact CG1-CB 4.3Å
39	L	98.3	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.2	164.5	175.9	69.3	0	0	0	109.6	Y27 V29 I41 L219 V220 I221 L400 L404 V412	Y27-L39 HydrophobicContact CD1-CD1 4.19Å; V29-L39 HydrophobicContact CG1-CB 4.43Å; V29-L39 HydrophobicContact CG1-CD1 3.47Å; V29-L39 VanDerWaalsContact CG1-CD1 3.47Å; L39-I41 HydrophobicContact CD2-CD1 4.17Å; L39-I41 HydrophobicContact CD2-CG1 4.28Å; L39-I41 HydrophobicContact CG-CG1 4.13Å; L39-L219 PolarHBondContact N-O 3.33Å; L39-V220 HydrophobicContact CB-CG1 4.28Å; L39-V220 HydrophobicContact CB-CG2 4.19Å; L39-V220 HydrophobicContact CD2-CG1 4.12Å; L39-V220 HydrophobicContact CG-CG1 4.33Å; L39-V220 VanDerWaalsContact O-CA 3.3Å; L39-V220 WeakPolarHBondContact O-CA 3.26Å; L39-I221 PolarHBondContact O-N 3.44Å; L39-L400 HydrophobicContact CD2-CB 4.06Å; L39-L400 HydrophobicContact CD2-CD1 3.63Å; L39-L400 HydrophobicContact CD2-CG 4.4Å; L39-L404 HydrophobicContact CB-CD1 3.88Å; L39-V412 HydrophobicContact CD1-CG1 4.28Å; L39-V412 HydrophobicContact CD2-CG1 4.1Å; L39-V412 HydrophobicContact CD2-CG2 4.18Å
40	L	98.5	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135	176	-52.2	174.7	0	0	0	109	Y27 K28 M30 V38 I221 I227 L230 Q231 A234	Y27-L40 WeakPolarHBondContact CA-O 3.46Å; K28-L40 HydrophobicContact CB-CB 4.44Å; K28-L40 PolarHBondContact N-O 3.17Å; K28-L40 PolarHBondContact O-N 3.31Å; M30-L40 HydrophobicContact SD-CD1 3.97Å; V38-L40 HydrophobicContact CG1-CD2 3.55Å; V38-L40 HydrophobicContact CG1-CG 4.08Å; L40-I221 HydrophobicContact CD2-CB 4.25Å; L40-I221 HydrophobicContact CD2-CD1 4.35Å; L40-I227 HydrophobicContact CB-CD1 4.15Å; L40-L230 HydrophobicContact CB-CB 4.31Å; L40-L230 HydrophobicContact CB-CD1 4.45Å; L40-L230 HydrophobicContact CD1-CB 4.29Å; L40-L230 HydrophobicContact CD2-CB 4.14Å; L40-L230 HydrophobicContact CG-CB 4.48Å; L40-Q231 HydrophobicContact CD1-CB 3.67Å; L40-A234 HydrophobicContact CD2-CB 4.23Å
41	I	98.3	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	110.9	-178.5	-47.7	176.7	0	0	0	108.2	R25 E26 Y27 L39 V220 I221 L222 G223 L230 Y396 L400	R25-I41 HydrophobicContact CB-CG2 4.07Å; R25-I41 HydrophobicContact CG-CG2 4.43Å; E26-I41 WeakPolarHBondContact O-CA 3.45Å; Y27-I41 HydrophobicContact CD1-CB 4.44Å; Y27-I41 HydrophobicContact CD1-CD1 4.39Å; Y27-I41 HydrophobicContact CD1-CG1 3.83Å; Y27-I41 HydrophobicContact CD1-CG2 4.2Å; Y27-I41 HydrophobicContact CE1-CB 4.35Å; Y27-I41 HydrophobicContact CE1-CD1 3.96Å; Y27-I41 HydrophobicContact CE1-CG1 3.82Å; Y27-I41 HydrophobicContact CE1-CG2 3.76Å; L39-I41 HydrophobicContact CD2-CD1 4.17Å; L39-I41 HydrophobicContact CD2-CG1 4.28Å; L39-I41 HydrophobicContact CG-CG1 4.13Å; I41-V220 HydrophobicContact CD1-CG1 3.78Å; I41-V220 HydrophobicContact CG1-CG1 4.33Å; I41-I221 PolarHBondContact N-O 3.01Å; I41-L222 HydrophobicContact CB-CB 4.03Å; I41-L222 HydrophobicContact CB-CD1 4.33Å; I41-L222 HydrophobicContact CB-CG 4Å; I41-L222 HydrophobicContact CD1-CB 4.45Å; I41-L222 HydrophobicContact CD1-CD1 4.34Å; I41-L222 HydrophobicContact CG2-CD1 4Å; I41-L222 HydrophobicContact CG2-CG 3.99Å; I41-L222 WeakPolarHBondContact O-CA 3.37Å; I41-G223 PolarHBondContact O-N 3.08Å; I41-G223 VanDerWaalsContact O-N 3.09Å; I41-L230 VanDerWaalsContact O-CD1 3.31Å; I41-L230 WeakPolarHBondContact O-CD1 3.4Å; I41-Y396 HydrophobicContact CD1-CD1 4.05Å; I41-Y396 HydrophobicContact CD1-CE1 3.87Å; I41-L400 HydrophobicContact CD1-CD1 3.81Å
42	S	98.1	Very high	96.2	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118	175.3	164.5	0	0	0	0	109.1	E26 E225	E26-S42 PolarHBondContact N-O 2.84Å; E26-S42 PolarHBondContact O-N 3.16Å; S42-E225 WeakPolarHBondContact CB-O 3.42Å; S42-E225 PolarHBondContact OG-O 3.2Å
43	D	96.5	Very high	96.3	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.043	13%	0.134	C	C	.	.			trans	-133	87.5	178.4	-174.8	0.2	0	0	0	109.4	R25 E45 T46 L222 G223 K390	R25-D43 HydrophobicContact CG-CB 4.02Å; D43-E45 PolarHBondContact O-N 3.34Å; D43-E45 PolarHBondContact OD1-N 3.24Å; D43-T46 HydrophobicContact CB-CG2 4.46Å; D43-T46 WeakPolarHBondContact O-CG2 3.46Å; D43-T46 PolarHBondContact O-N 2.72Å; D43-T46 PolarHBondContact OD1-N 3.21Å; D43-L222 HydrophobicContact CB-CD2 4.37Å; D43-G223 PolarHBondContact N-O 2.57Å; D43-K390 IonicContact OD1-NZ 3.69Å; D43-K390 PolarHBondContact OD1-NZ 2.76Å; D43-K390 WeakPolarHBondContact OD2-CE 3.34Å; D43-K390 IonicContact OD2-NZ 2.61Å; D43-K390 PolarHBondContact OD2-NZ 3.13Å
44	P	95.1	Very high	96.4	Very high	90 Å²	90	19.8 Å²	19.8	58%	0.584	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.7	-177	-26.6	35.7	0	0	0	114.2
45	E	91.2	Very high	96.5	Very high	132 Å²	132	19.3 Å²	19.3	62%	0.617	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.5	-179.4	-59.4	-167.5	158.4	0	0	113.4	D43 D47	D43-E45 PolarHBondContact O-N 3.34Å; D43-E45 PolarHBondContact OD1-N 3.24Å; E45-D47 PolarHBondContact O-N 3.38Å
46	T	91.3	Very high	96.5	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.018	8%	0.083	C	C	.	.			trans	-66.6	136.2	-177.8	-164.1	0	0	0	0	111.6	D43 K48 P118 L222 R224	D43-T46 HydrophobicContact CB-CG2 4.46Å; D43-T46 WeakPolarHBondContact O-CG2 3.46Å; D43-T46 PolarHBondContact O-N 2.72Å; D43-T46 PolarHBondContact OD1-N 3.21Å; T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 VanDerWaalsContact CG2-O 3.26Å; T46-K48 WeakPolarHBondContact CG2-O 2.98Å; T46-K48 PolarHBondContact OG1-N 3.11Å; T46-K48 PolarHBondContact OG1-O 3.09Å; T46-P118 HydrophobicContact CG2-CG 4.39Å; T46-L222 HydrophobicContact CG2-CD2 3.97Å; T46-R224 HydrophobicContact CG2-CG 3.78Å; T46-R224 VanDerWaalsContact O-CZ 3.29Å; T46-R224 PolarHBondContact O-NE 2.76Å; T46-R224 PolarHBondContact O-NH2 2.67Å
47	D	88.1	Confident	96.5	Very high	24 Å²	24	15.9 Å²	15.9	13%	0.128	8%	0.083	C	C	.	.	S	Bend	trans	-82.1	-16.3	172	-58.2	-50.9	0	0	0	111.9	E45 P118 E885 K886 K888	E45-D47 PolarHBondContact O-N 3.38Å; D47-P118 WeakPolarHBondContact O-CD 3.27Å; D47-E885 HydrophobicContact CB-CG 4.28Å; D47-K886 PolarHBondContact OD2-N 3.37Å; D47-K886 VanDerWaalsContact OD2-N 3.14Å; D47-K888 IonicContact OD2-NZ 3.22Å; D47-K888 PolarHBondContact OD2-NZ 2.99Å
48	K	92	Very high	96.4	Very high	8 Å²	8	13.6 Å²	13.6	4%	0.035	7%	0.073	C	C	.	.	S	Bend	trans	-140.9	137.6	178.2	-65.8	-162.3	-177.8	-162.6	0	111.6	T46 G98 H100 D115 V116	T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 VanDerWaalsContact CG2-O 3.26Å; T46-K48 WeakPolarHBondContact CG2-O 2.98Å; T46-K48 PolarHBondContact OG1-N 3.11Å; T46-K48 PolarHBondContact OG1-O 3.09Å; K48-G98 WeakPolarHBondContact CE-O 3.22Å; K48-G98 PolarHBondContact NZ-O 3.44Å; K48-H100 PolarHBondContact NZ-ND1 3.36Å; K48-D115 HydrophobicContact CD-CB 4.2Å; K48-D115 WeakPolarHBondContact CD-OD2 3.17Å; K48-D115 IonicContact NZ-OD1 2.84Å; K48-D115 IonicContact NZ-OD2 2.64Å; K48-D115 PolarHBondContact NZ-OD2 3.39Å; K48-V116 CarbonylContact C-O 3.6Å; K48-V116 WeakPolarHBondContact CA-O 3.2Å
49	S	97.1	Very high	96.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	148.4	166.4	-63	0	0	0	0	109.4	D115 V116 P118 L222 G223	S49-D115 CarbonylContact O-C 3.51Å; S49-D115 WeakPolarHBondContact O-CA 3.3Å; S49-D115 WeakPolarHBondContact O-CB 3.34Å; S49-V116 PolarHBondContact N-O 3.06Å; S49-V116 PolarHBondContact O-N 3.49Å; S49-P118 WeakPolarHBondContact OG-CA 3.35Å; S49-L222 CarbonylContact C-O 3.05Å; S49-L222 WeakPolarHBondContact CA-O 3.41Å; S49-L222 WeakPolarHBondContact CB-O 3.31Å; S49-G223 WeakPolarHBondContact OG-CA 3.46Å
50	A	98.4	Very high	96.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.9	-179.3	0	0	0	0	0	111.4	F114 D115 L222 P393 V397	A50-F114 CarbonylContact C-O 3.49Å; A50-F114 VanDerWaalsContact CA-O 3.26Å; A50-F114 WeakPolarHBondContact CA-O 3.38Å; A50-D115 HydrophobicContact CB-CB 4.13Å; A50-L222 PolarHBondContact N-O 3.26Å; A50-L222 PolarHBondContact O-N 2.84Å; A50-P393 HydrophobicContact CB-CB 3.58Å; A50-V397 HydrophobicContact CB-CG1 4.03Å; A50-V397 HydrophobicContact CB-CG2 3.79Å
51	V	98.8	Very high	96.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.6	-179	-180	0	0	0	0	109.3	V113 F114 L121 L125 F128 L219 V220 I221	V51-V113 VanDerWaalsContact O-CA 3.31Å; V51-V113 WeakPolarHBondContact O-CA 3.39Å; V51-F114 HydrophobicContact CB-CD1 4.13Å; V51-F114 HydrophobicContact CB-CE1 3.53Å; V51-F114 HydrophobicContact CB-CE2 4.24Å; V51-F114 HydrophobicContact CB-CZ 3.59Å; V51-F114 HydrophobicContact CG1-CE1 4Å; V51-F114 HydrophobicContact CG1-CZ 4.34Å; V51-F114 HydrophobicContact CG2-CE1 4.03Å; V51-F114 HydrophobicContact CG2-CE2 4.05Å; V51-F114 HydrophobicContact CG2-CZ 3.54Å; V51-F114 PolarHBondContact N-O 2.85Å; V51-F114 PolarHBondContact O-N 2.89Å; V51-L121 HydrophobicContact CG2-CD1 3.69Å; V51-L125 HydrophobicContact CB-CD2 4.47Å; V51-L125 HydrophobicContact CG1-CD2 4Å; V51-L125 HydrophobicContact CG2-CD2 3.9Å; V51-L125 HydrophobicContact CG2-CG 4.43Å; V51-F128 HydrophobicContact CG1-CD1 4.34Å; V51-F128 HydrophobicContact CG1-CE1 3.97Å; V51-L219 HydrophobicContact CG1-CD1 3.79Å; V51-V220 VanDerWaalsContact CA-O 3.28Å; V51-V220 WeakPolarHBondContact CA-O 3.43Å; V51-I221 HydrophobicContact CG1-CG1 4.32Å; V51-I221 HydrophobicContact CG2-CG1 4.38Å; V51-I221 HydrophobicContact CG2-CG2 4.13Å
52	C	98.7	Very high	96.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.5	167.6	-177.5	0	0	0	0	110.2	Y112 V113 L219 V220 V397 A401	C52-Y112 CarbonylContact C-O 3.2Å; C52-Y112 VanDerWaalsContact CA-O 3.27Å; C52-Y112 WeakPolarHBondContact CA-O 3.39Å; C52-Y112 PolarHBondContact SG-O 3.39Å; C52-V113 HydrophobicContact CB-CB 4.13Å; C52-V113 HydrophobicContact CB-CG2 4.25Å; C52-L219 WeakPolarHBondContact O-CA 3.42Å; C52-V220 PolarHBondContact N-O 3.24Å; C52-V220 PolarHBondContact O-N 3.2Å; C52-V397 HydrophobicContact CB-CB 4.09Å; C52-V397 HydrophobicContact CB-CG2 3.84Å; C52-A401 HydrophobicContact CB-CB 3.9Å; C52-A401 VanDerWaalsContact SG-CB 3.54Å
53	L	98.7	Very high	95.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.8	167.4	-171	156.1	0	0	0	109.1	M36 V55 Y112 F128 F132 M217 S218 L219 F238	M36-L53 HydrophobicContact CE-CD1 4.37Å; L53-V55 HydrophobicContact CD2-CG2 3.78Å; L53-Y112 PolarHBondContact N-O 2.8Å; L53-Y112 PolarHBondContact O-N 2.83Å; L53-F128 HydrophobicContact CB-CE1 3.89Å; L53-F128 HydrophobicContact CB-CZ 3.9Å; L53-F132 HydrophobicContact CB-CE2 4.23Å; L53-F132 HydrophobicContact CB-CZ 4.08Å; L53-F132 HydrophobicContact CD1-CD1 4.38Å; L53-F132 HydrophobicContact CD1-CD2 3.76Å; L53-F132 HydrophobicContact CD1-CE1 4.38Å; L53-F132 HydrophobicContact CD1-CE2 3.75Å; L53-F132 HydrophobicContact CD1-CG 4.09Å; L53-F132 HydrophobicContact CD1-CZ 4.06Å; L53-F132 HydrophobicContact CD2-CD1 4.01Å; L53-F132 HydrophobicContact CD2-CE1 3.59Å; L53-F132 HydrophobicContact CD2-CE2 4.31Å; L53-F132 HydrophobicContact CD2-CZ 3.76Å; L53-F132 HydrophobicContact CG-CE1 4.45Å; L53-F132 HydrophobicContact CG-CE2 4.31Å; L53-F132 HydrophobicContact CG-CZ 4.18Å; L53-M217 HydrophobicContact CD1-SD 4.31Å; L53-M217 HydrophobicContact CD2-CB 4.29Å; L53-M217 HydrophobicContact CD2-CG 4.06Å; L53-M217 HydrophobicContact CD2-SD 4.04Å; L53-S218 CarbonylContact C-O 3.57Å; L53-S218 VanDerWaalsContact CA-O 3.3Å; L53-S218 WeakPolarHBondContact CA-O 3.43Å; L53-L219 HydrophobicContact CB-CD1 4.17Å; L53-L219 HydrophobicContact CD1-CD1 4.38Å; L53-F238 HydrophobicContact CD1-CD1 3.95Å; L53-F238 HydrophobicContact CD1-CE1 3.69Å
54	S	98.5	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.1	174.7	-59.7	0	0	0	0	110.8	T110 S111 M217 S218 A401	S54-T110 CarbonylContact C-O 3.56Å; S54-T110 WeakPolarHBondContact CA-O 3.23Å; S54-S111 WeakPolarHBondContact CB-OG 3.43Å; S54-S111 PolarHBondContact OG-OG 3Å; S54-M217 WeakPolarHBondContact O-CA 3.35Å; S54-S218 PolarHBondContact N-O 3.02Å; S54-S218 PolarHBondContact O-N 3.43Å; S54-A401 WeakPolarHBondContact OG-CB 3.45Å
55	V	98.2	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.2	171.9	-170.3	0	0	0	0	107.4	L53 I57 K109 T110 F132 Y212 M217	L53-V55 HydrophobicContact CD2-CG2 3.78Å; V55-I57 HydrophobicContact CG1-CB 4.33Å; V55-I57 PolarHBondContact O-N 3.38Å; V55-K109 CarbonylContact O-C 3.35Å; V55-K109 WeakPolarHBondContact O-CA 3.47Å; V55-K109 WeakPolarHBondContact O-CB 3.48Å; V55-T110 PolarHBondContact N-O 3.17Å; V55-T110 PolarHBondContact O-N 3.4Å; V55-F132 HydrophobicContact CG2-CE1 4.42Å; V55-Y212 HydrophobicContact CG2-CD1 4.13Å; V55-Y212 HydrophobicContact CG2-CE1 3.91Å; V55-M217 HydrophobicContact CG2-CE 4.03Å; V55-M217 HydrophobicContact CG2-CG 4.17Å
56	N	96.8	Very high	95.9	Very high	12 Å²	12	15.1 Å²	15.1	6%	0.064	8%	0.075	C	C	.	.	S	Bend	trans	-77.1	45	-178.7	-158.4	5	0	0	0	113	D108 L216 Q248 L405	N56-D108 CarbonylContact C-O 3.52Å; N56-L216 HydrophobicContact CB-CB 4.27Å; N56-L216 VanDerWaalsContact CB-O 3.25Å; N56-L216 WeakPolarHBondContact CB-O 3.39Å; N56-L216 PolarHBondContact N-O 3.32Å; N56-Q248 PolarHBondContact ND2-NE2 3.09Å; N56-Q248 PolarHBondContact ND2-OE1 2.93Å; N56-L405 HydrophobicContact CB-CD1 4.03Å; N56-L405 HydrophobicContact CB-CD2 3.98Å
57	I	97.4	Very high	96.1	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	8%	0.079	C	C	.	.			trans	-141.5	135.1	174.4	-64.3	-64.8	0	0	0	108.5	V55 D108 K109 T110 F207 W211 L216 P249	V55-I57 HydrophobicContact CG1-CB 4.33Å; V55-I57 PolarHBondContact O-N 3.38Å; I57-D108 CarbonylContact C-O 3.51Å; I57-D108 VanDerWaalsContact CA-O 3.26Å; I57-D108 WeakPolarHBondContact CA-O 3.29Å; I57-D108 PolarHBondContact N-O 2.95Å; I57-K109 CarbonylContact O-C 3.55Å; I57-K109 WeakPolarHBondContact O-CA 3.39Å; I57-T110 PolarHBondContact O-N 3.4Å; I57-T110 PolarHBondContact O-OG1 2.93Å; I57-F207 HydrophobicContact CG2-CZ 3.9Å; I57-W211 HydrophobicContact CB-CB 4.26Å; I57-W211 HydrophobicContact CD1-CD2 4.03Å; I57-W211 HydrophobicContact CD1-CE3 3.35Å; I57-W211 HydrophobicContact CD1-CZ3 3.74Å; I57-W211 HydrophobicContact CG1-CB 4Å; I57-W211 HydrophobicContact CG1-CD2 4.22Å; I57-W211 HydrophobicContact CG1-CE3 3.82Å; I57-W211 HydrophobicContact CG1-CG 4.34Å; I57-W211 HydrophobicContact CG2-CB 3.89Å; I57-W211 HydrophobicContact CG2-CD2 4.18Å; I57-W211 HydrophobicContact CG2-CG 3.9Å; I57-L216 HydrophobicContact CD1-CD1 4.03Å; I57-L216 HydrophobicContact CG1-CD1 3.79Å; I57-P249 VanDerWaalsContact CD1-CD 3.48Å; I57-P249 HydrophobicContact CD1-CG 3.68Å
58	G	96.8	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.			trans	-141.2	-155	178.4	0	0	0	0	0	112.5	L60 S61 S106 P107 D108	G58-L60 VanDerWaalsContact C-N 3.27Å; G58-L60 PolarHBondContact O-N 3.31Å; G58-S61 WeakPolarHBondContact O-CB 3.47Å; G58-S61 PolarHBondContact O-N 2.94Å; G58-S106 VanDerWaalsContact CA-O 3.31Å; G58-S106 WeakPolarHBondContact CA-O 3.23Å; G58-P107 CarbonylContact C-O 3.56Å; G58-P107 WeakPolarHBondContact CA-O 3.3Å; G58-D108 PolarHBondContact N-O 3.28Å
59	S	97.1	Very high	96.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.014	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-66.1	-20.1	-170.4	-54.1	0	0	0	0	115	S61 D62 T105 S106 P107 F182	S59-S61 PolarHBondContact O-N 3.04Å; S59-D62 VanDerWaalsContact O-CB 3.31Å; S59-D62 WeakPolarHBondContact O-CB 3.49Å; S59-D62 PolarHBondContact O-N 2.94Å; S59-T105 WeakPolarHBondContact OG-CG2 3.21Å; S59-S106 PolarHBondContact N-O 3.04Å; S59-P107 PolarHBondContact N-O 3.31Å; S59-P107 VanDerWaalsContact N-O 3.1Å; S59-F182 VanDerWaalsContact CB-CB 3.49Å; S59-F182 PolarHBondContact OG-O 3.1Å
60	L	96	Very high	96.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-65.3	-25.2	173.7	-72.3	167.1	0	0	0	112.1	G58 D62 P107 D177 Y178 K180 F182 W251 A330 I333	G58-L60 VanDerWaalsContact C-N 3.27Å; G58-L60 PolarHBondContact O-N 3.31Å; L60-D62 VanDerWaalsContact C-N 3.28Å; L60-D62 PolarHBondContact O-N 3.33Å; L60-P107 VanDerWaalsContact CB-O 3.28Å; L60-P107 WeakPolarHBondContact CB-O 3.17Å; L60-P107 HydrophobicContact CD1-CB 3.7Å; L60-P107 HydrophobicContact CG-CB 3.76Å; L60-P107 WeakPolarHBondContact CG-O 3.42Å; L60-P107 PolarHBondContact N-O 3.5Å; L60-D177 HydrophobicContact CD2-CB 4.14Å; L60-D177 WeakPolarHBondContact CD2-O 3.49Å; L60-Y178 HydrophobicContact CD2-CD2 4.29Å; L60-K180 PolarHBondContact O-NZ 3.46Å; L60-F182 HydrophobicContact CD2-CE1 3.86Å; L60-F182 HydrophobicContact CD2-CZ 3.64Å; L60-F182 HydrophobicContact CG-CE1 4.27Å; L60-F182 HydrophobicContact CG-CZ 4.08Å; L60-W251 HydrophobicContact CB-CH2 3.58Å; L60-W251 HydrophobicContact CB-CZ2 3.3Å; L60-W251 HydrophobicContact CB-CZ3 4.49Å; L60-W251 HydrophobicContact CD1-CD2 4.27Å; L60-W251 HydrophobicContact CD1-CE3 4.11Å; L60-W251 HydrophobicContact CD1-CH2 3.77Å; L60-W251 HydrophobicContact CD1-CZ2 3.95Å; L60-W251 HydrophobicContact CD1-CZ3 3.86Å; L60-W251 HydrophobicContact CG-CH2 4.32Å; L60-W251 HydrophobicContact CG-CZ2 4.18Å; L60-A330 HydrophobicContact CD1-CB 3.4Å; L60-I333 HydrophobicContact CD1-CD1 4.43Å
61	S	95.8	Very high	96.7	Very high	16 Å²	16	15.2 Å²	15.2	11%	0.112	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-86.1	4.3	177.8	-59.8	0	0	0	0	113.4	G58 S59	G58-S61 WeakPolarHBondContact O-CB 3.47Å; G58-S61 PolarHBondContact O-N 2.94Å; S59-S61 PolarHBondContact O-N 3.04Å
62	D	96.6	Very high	96.6	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	8%	0.075	C	C	.	.	S	Bend	trans	-59.4	139.2	176.9	-73.9	-17.8	0	0	0	111.3	S59 L60 G68 L69 A70 K180	S59-D62 VanDerWaalsContact O-CB 3.31Å; S59-D62 WeakPolarHBondContact O-CB 3.49Å; S59-D62 PolarHBondContact O-N 2.94Å; L60-D62 VanDerWaalsContact C-N 3.28Å; L60-D62 PolarHBondContact O-N 3.33Å; D62-G68 VanDerWaalsContact OD2-CA 3.28Å; D62-G68 WeakPolarHBondContact OD2-CA 3.47Å; D62-G68 PolarHBondContact OD2-N 3.5Å; D62-L69 PolarHBondContact OD1-N 3.29Å; D62-L69 PolarHBondContact OD2-N 2.84Å; D62-A70 WeakPolarHBondContact OD1-CB 3.29Å; D62-A70 PolarHBondContact OD1-N 2.99Å; D62-K180 HydrophobicContact CB-CD 4.32Å; D62-K180 WeakPolarHBondContact O-CE 3.34Å; D62-K180 PolarHBondContact O-NZ 3.4Å
63	P	95.6	Very high	96.5	Very high	30 Å²	30	15.2 Å²	15.2	20%	0.195	8%	0.075	C	C	.	.			trans	-57.1	141.9	167	-21.4	33.6	0	0	0	110.3	E65 L66 L69	P63-E65 WeakPolarHBondContact CB-OE2 3.24Å; P63-E65 PolarHBondContact O-N 2.8Å; P63-E65 VanDerWaalsContact O-N 3.13Å; P63-L66 CarbonylContact O-C 3.58Å; P63-L66 PolarHBondContact O-N 2.89Å; P63-L69 HydrophobicContact CG-CD2 3.66Å
64	K	91.9	Very high	96.5	Very high	141 Å²	141	15.7 Å²	15.7	61%	0.613	8%	0.078	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.2	-179.9	-69.4	-175.8	176.7	-176.6	0	112
65	E	93.9	Very high	96.3	Very high	77 Å²	77	16.5 Å²	16.5	36%	0.36	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-23.2	179.8	-53.2	79.2	-173.3	0	0	113.2	P63 C194	P63-E65 WeakPolarHBondContact CB-OE2 3.24Å; P63-E65 PolarHBondContact O-N 2.8Å; P63-E65 VanDerWaalsContact O-N 3.13Å; E65-C194 HydrophobicContact CB-CB 4.11Å
66	L	96.1	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-135.3	68.3	-174.8	-62	175.4	0	0	0	112	P63 G68 L69 L189 A195 V198 T200 K203	P63-L66 CarbonylContact O-C 3.58Å; P63-L66 PolarHBondContact O-N 2.89Å; L66-G68 PolarHBondContact O-N 3.36Å; L66-L69 HydrophobicContact CB-CB 4.3Å; L66-L69 HydrophobicContact CD1-CD1 4.29Å; L66-L69 HydrophobicContact CD1-CD2 4.27Å; L66-L69 WeakPolarHBondContact O-CB 3.37Å; L66-L69 PolarHBondContact O-N 2.93Å; L66-L189 HydrophobicContact CB-CD2 4.47Å; L66-L189 WeakPolarHBondContact CD2-O 3.46Å; L66-A195 HydrophobicContact CD2-CB 3.67Å; L66-V198 HydrophobicContact CD1-CG2 3.94Å; L66-V198 HydrophobicContact CD2-CG2 4.07Å; L66-V198 HydrophobicContact CG-CG2 4.03Å; L66-T200 HydrophobicContact CD1-CG2 4.32Å; L66-K203 HydrophobicContact CD1-CB 3.49Å; L66-K203 VanDerWaalsContact CD1-CB 3.49Å; L66-K203 HydrophobicContact CD1-CG 3.75Å
67	P	95.6	Very high	96.1	Very high	16 Å²	16	16 Å²	16	10%	0.104	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	130.3	172.4	-21.2	32.8	0	0	0	111.7	F181 G184 S188	P67-F181 CarbonylContact C-O 3.56Å; P67-F181 HydrophobicContact CB-CB 3.95Å; P67-F181 VanDerWaalsContact CB-O 3.26Å; P67-F181 WeakPolarHBondContact CB-O 3.42Å; P67-G184 WeakPolarHBondContact O-CA 3.48Å; P67-S188 WeakPolarHBondContact O-CB 3.38Å; P67-S188 PolarHBondContact O-OG 2.84Å
68	G	96	Very high	95.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	7.8	-174.7	0	0	0	0	0	115.1	D62 L66 A70 H71 F72 F181 F182	D62-G68 VanDerWaalsContact OD2-CA 3.28Å; D62-G68 WeakPolarHBondContact OD2-CA 3.47Å; D62-G68 PolarHBondContact OD2-N 3.5Å; L66-G68 PolarHBondContact O-N 3.36Å; G68-A70 PolarHBondContact O-N 3.33Å; G68-H71 PolarHBondContact O-N 2.98Å; G68-F72 WeakPolarHBondContact O-CB 3.45Å; G68-F72 PolarHBondContact O-N 3.15Å; G68-F181 PolarHBondContact N-O 3.23Å; G68-F182 WeakPolarHBondContact CA-O 3.33Å
69	L	97.2	Very high	95.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.3	-34.9	-176	-170.1	65.5	0	0	0	113	D62 P63 L66 F72 C73 L189 K203 L204 F207	D62-L69 PolarHBondContact OD1-N 3.29Å; D62-L69 PolarHBondContact OD2-N 2.84Å; P63-L69 HydrophobicContact CG-CD2 3.66Å; L66-L69 HydrophobicContact CB-CB 4.3Å; L66-L69 HydrophobicContact CD1-CD1 4.29Å; L66-L69 HydrophobicContact CD1-CD2 4.27Å; L66-L69 WeakPolarHBondContact O-CB 3.37Å; L66-L69 PolarHBondContact O-N 2.93Å; L69-F72 HydrophobicContact CD1-CD1 4.37Å; L69-F72 PolarHBondContact O-N 3.49Å; L69-C73 VanDerWaalsContact O-CB 3.31Å; L69-C73 WeakPolarHBondContact O-CB 3.37Å; L69-C73 PolarHBondContact O-N 2.77Å; L69-L189 HydrophobicContact CD1-CD2 4.5Å; L69-K203 HydrophobicContact CD2-CB 4.2Å; L69-L204 HydrophobicContact CD1-CB 4.21Å; L69-L204 HydrophobicContact CD1-CD1 4.37Å; L69-F207 HydrophobicContact CD2-CB 3.89Å; L69-F207 HydrophobicContact CD2-CD2 4.16Å; L69-F207 HydrophobicContact CD2-CG 4.2Å; L69-F207 HydrophobicContact CG-CB 4.48Å; L69-F207 HydrophobicContact CG-CG 4.49Å
70	A	97.8	Very high	95.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-46.7	175.3	0	0	0	0	0	111.2	D62 G68 F72 C73 E74 T105 F207	D62-A70 WeakPolarHBondContact OD1-CB 3.29Å; D62-A70 PolarHBondContact OD1-N 2.99Å; G68-A70 PolarHBondContact O-N 3.33Å; A70-F72 VanDerWaalsContact C-N 3.35Å; A70-C73 WeakPolarHBondContact O-CB 3.48Å; A70-C73 PolarHBondContact O-N 2.95Å; A70-E74 PolarHBondContact O-N 3.33Å; A70-T105 HydrophobicContact CB-CG2 3.88Å; A70-F207 HydrophobicContact CB-CE1 4.13Å; A70-F207 HydrophobicContact CB-CE2 4.37Å; A70-F207 HydrophobicContact CB-CZ 3.62Å
71	H	97.5	Very high	95.5	Very high	20 Å²	20	18.9 Å²	18.9	9%	0.093	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-41.2	175.4	-179	-138.3	0	0	0	111.5	G68 C73 E74 H75 T105 E152 S183	G68-H71 PolarHBondContact O-N 2.98Å; H71-C73 VanDerWaalsContact C-N 3.32Å; H71-C73 PolarHBondContact O-N 3.2Å; H71-E74 IonicContact CD2-OE2 2.85Å; H71-E74 VanDerWaalsContact O-CB 3.29Å; H71-E74 WeakPolarHBondContact O-CB 3.47Å; H71-E74 PolarHBondContact O-N 3.14Å; H71-H75 AromaticContact CD2-CD2 3.82Å; H71-H75 AromaticContact CD2-NE2 3.91Å; H71-H75 AromaticContact CE1-NE2 3.58Å; H71-H75 AromaticContact NE2-CD2 3.6Å; H71-H75 AromaticContact NE2-NE2 3.18Å; H71-H75 PolarHBondContact NE2-NE2 2.92Å; H71-H75 VanDerWaalsContact NE2-NE2 3.18Å; H71-H75 PolarHBondContact O-CD2 3.04Å; H71-H75 PolarHBondContact O-N 2.84Å; H71-T105 WeakPolarHBondContact CA-OG1 3.45Å; H71-T105 HydrophobicContact CB-CG2 4.36Å; H71-E152 IonicContact CE1-OE2 2.67Å; H71-E152 IonicContact NE2-OE2 3.69Å; H71-S183 PolarHBondContact ND1-O 3.4Å
72	F	96.5	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-35.5	175.3	-171.8	-135.4	0	0	0	112.7	G68 L69 A70 E74 H75 M76 T142 E145 V146 V149 L189 F190 T200 L204	G68-F72 WeakPolarHBondContact O-CB 3.45Å; G68-F72 PolarHBondContact O-N 3.15Å; L69-F72 HydrophobicContact CD1-CD1 4.37Å; L69-F72 PolarHBondContact O-N 3.49Å; A70-F72 VanDerWaalsContact C-N 3.35Å; F72-E74 VanDerWaalsContact C-N 3.31Å; F72-E74 PolarHBondContact O-N 3.22Å; F72-H75 PolarHBondContact O-N 2.77Å; F72-M76 HydrophobicContact CD2-CG 4.18Å; F72-M76 HydrophobicContact CE1-CG 4.42Å; F72-M76 HydrophobicContact CE2-CG 3.92Å; F72-M76 HydrophobicContact CE2-SD 4.03Å; F72-M76 HydrophobicContact CZ-CG 4.05Å; F72-M76 HydrophobicContact CZ-SD 4.02Å; F72-M76 WeakPolarHBondContact O-CB 3.09Å; F72-M76 WeakPolarHBondContact O-CG 3.38Å; F72-M76 PolarHBondContact O-N 3.25Å; F72-M76 VanDerWaalsContact O-N 3.13Å; F72-T142 HydrophobicContact CE1-CG2 3.96Å; F72-T142 HydrophobicContact CZ-CG2 3.9Å; F72-T142 WeakPolarHBondContact CZ-O 3.39Å; F72-E145 HydrophobicContact CE2-CB 4.09Å; F72-E145 HydrophobicContact CE2-CG 4.33Å; F72-V146 HydrophobicContact CE2-CB 4.38Å; F72-V146 HydrophobicContact CZ-CB 4.47Å; F72-V149 HydrophobicContact CD2-CG2 3.96Å; F72-L189 HydrophobicContact CB-CD1 3.91Å; F72-L189 HydrophobicContact CB-CD2 4.42Å; F72-L189 HydrophobicContact CD1-CD1 4.25Å; F72-L189 HydrophobicContact CD2-CD1 4.39Å; F72-L189 HydrophobicContact CG-CD1 3.94Å; F72-F190 HydrophobicContact CE1-CE2 4.12Å; F72-F190 HydrophobicContact CE1-CZ 4.13Å; F72-F190 HydrophobicContact CZ-CE2 4.22Å; F72-F190 HydrophobicContact CZ-CZ 4.23Å; F72-T200 HydrophobicContact CD1-CG2 4.43Å; F72-T200 HydrophobicContact CE1-CG2 4.16Å; F72-L204 HydrophobicContact CE1-CD2 4.47Å
73	C	97.1	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-42.5	173	-172	0	0	0	0	111.7	L69 A70 H71 M76 L77 L204 F207	L69-C73 VanDerWaalsContact O-CB 3.31Å; L69-C73 WeakPolarHBondContact O-CB 3.37Å; L69-C73 PolarHBondContact O-N 2.77Å; A70-C73 WeakPolarHBondContact O-CB 3.48Å; A70-C73 PolarHBondContact O-N 2.95Å; H71-C73 VanDerWaalsContact C-N 3.32Å; H71-C73 PolarHBondContact O-N 3.2Å; C73-M76 PolarHBondContact O-N 2.98Å; C73-L77 PolarHBondContact O-N 3.21Å; C73-L204 VanDerWaalsContact CA-CD1 3.44Å; C73-L204 HydrophobicContact CB-CD1 3.37Å; C73-F207 HydrophobicContact CB-CD1 4.25Å; C73-F207 HydrophobicContact CB-CE1 4.4Å
74	E	97.4	Very high	95.4	Very high	11 Å²	11	30 Å²	30	5%	0.051	15%	0.145	C	C	.	.	H	α-helix	trans	-54.7	-54.6	176	-176	-140.4	122.4	0	0	112.4	A70 H71 F72 M76 L77 F78 A103 F104 T105 T110 Y112	A70-E74 PolarHBondContact O-N 3.33Å; H71-E74 IonicContact CD2-OE2 2.85Å; H71-E74 VanDerWaalsContact O-CB 3.29Å; H71-E74 WeakPolarHBondContact O-CB 3.47Å; H71-E74 PolarHBondContact O-N 3.14Å; F72-E74 VanDerWaalsContact C-N 3.31Å; F72-E74 PolarHBondContact O-N 3.22Å; E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 3.34Å; E74-L77 PolarHBondContact O-N 3.31Å; E74-F78 VanDerWaalsContact O-CD2 3.31Å; E74-F78 WeakPolarHBondContact O-CD2 3.43Å; E74-A103 HydrophobicContact CG-CB 3.5Å; E74-A103 VanDerWaalsContact CG-CB 3.5Å; E74-A103 WeakPolarHBondContact OE1-CB 3.41Å; E74-F104 VanDerWaalsContact OE2-CA 3.27Å; E74-F104 WeakPolarHBondContact OE2-CA 3.35Å; E74-T105 WeakPolarHBondContact CB-OG1 3.42Å; E74-T105 PolarHBondContact OE2-N 3.27Å; E74-T105 PolarHBondContact OE2-OG1 3.17Å; E74-T110 HydrophobicContact CB-CG2 3.92Å; E74-T110 HydrophobicContact CG-CG2 3.87Å; E74-Y112 VanDerWaalsContact CA-OH 3.27Å; E74-Y112 WeakPolarHBondContact CA-OH 3.25Å; E74-Y112 HydrophobicContact CB-CE1 4.33Å; E74-Y112 HydrophobicContact CG-CD1 4.5Å; E74-Y112 HydrophobicContact CG-CE1 3.73Å
75	H	94.2	Very high	95.5	Very high	17 Å²	17	27.1 Å²	27.1	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-54.8	-45.5	176.6	-83.1	-115.8	0	0	0	112.2	H71 F72 L77 F78 E145 E152	H71-H75 AromaticContact CD2-CD2 3.82Å; H71-H75 AromaticContact CD2-NE2 3.91Å; H71-H75 AromaticContact CE1-NE2 3.58Å; H71-H75 AromaticContact NE2-CD2 3.6Å; H71-H75 AromaticContact NE2-NE2 3.18Å; H71-H75 PolarHBondContact NE2-NE2 2.92Å; H71-H75 VanDerWaalsContact NE2-NE2 3.18Å; H71-H75 PolarHBondContact O-CD2 3.04Å; H71-H75 PolarHBondContact O-N 2.84Å; F72-H75 PolarHBondContact O-N 2.77Å; H75-L77 VanDerWaalsContact C-N 3.28Å; H75-L77 PolarHBondContact O-N 3.36Å; H75-F78 PolarHBondContact O-N 3.28Å; H75-E145 HydrophobicContact CB-CG 3.77Å; H75-E145 IonicContact CE1-OE1 3.64Å; H75-E145 IonicContact CG-OE1 2.94Å; H75-E145 IonicContact ND1-OE1 3.78Å; H75-E145 PolarHBondContact ND1-OE1 2.91Å; H75-E152 IonicContact NE2-OE2 2.79Å
76	M	95.3	Very high	95.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-21.1	-172.4	-72.8	-65.8	-54.9	0	0	114.2	F72 C73 E74 F78 L79 F137 A141 T142 E145 L204	F72-M76 HydrophobicContact CD2-CG 4.18Å; F72-M76 HydrophobicContact CE1-CG 4.42Å; F72-M76 HydrophobicContact CE2-CG 3.92Å; F72-M76 HydrophobicContact CE2-SD 4.03Å; F72-M76 HydrophobicContact CZ-CG 4.05Å; F72-M76 HydrophobicContact CZ-SD 4.02Å; F72-M76 WeakPolarHBondContact O-CB 3.09Å; F72-M76 WeakPolarHBondContact O-CG 3.38Å; F72-M76 PolarHBondContact O-N 3.25Å; F72-M76 VanDerWaalsContact O-N 3.13Å; C73-M76 PolarHBondContact O-N 2.98Å; E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 3.34Å; M76-F78 PolarHBondContact O-N 3.03Å; M76-L79 PolarHBondContact O-N 2.86Å; M76-L79 HydrophobicContact SD-CD1 3.91Å; M76-F137 HydrophobicContact CB-CD1 3.54Å; M76-F137 HydrophobicContact CB-CE1 3.53Å; M76-F137 HydrophobicContact CE-CB 4.48Å; M76-F137 HydrophobicContact CE-CD1 4.17Å; M76-F137 HydrophobicContact CG-CD1 4.37Å; M76-A141 HydrophobicContact CE-CB 3.85Å; M76-A141 HydrophobicContact SD-CB 4.49Å; M76-T142 WeakPolarHBondContact CE-OG1 3.39Å; M76-E145 HydrophobicContact SD-CB 3.91Å; M76-E145 HydrophobicContact SD-CG 4.27Å; M76-L204 HydrophobicContact CB-CD2 4.14Å; M76-L204 HydrophobicContact CG-CD2 3.87Å
77	L	95.9	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.4	-22.9	175.3	-68.5	-169.3	0	0	0	113.2	C73 E74 H75 L79 Y112 F131 F132 P135 F137 Y208 Y212	C73-L77 PolarHBondContact O-N 3.21Å; E74-L77 PolarHBondContact O-N 3.31Å; H75-L77 VanDerWaalsContact C-N 3.28Å; H75-L77 PolarHBondContact O-N 3.36Å; L77-L79 VanDerWaalsContact C-N 3.28Å; L77-L79 PolarHBondContact O-N 2.72Å; L77-Y112 HydrophobicContact CB-CE1 4.2Å; L77-Y112 HydrophobicContact CD1-CE1 3.82Å; L77-Y112 HydrophobicContact CD1-CE2 4.21Å; L77-Y112 WeakPolarHBondContact CD1-OH 3.33Å; L77-Y112 HydrophobicContact CG-CE1 4.42Å; L77-F131 HydrophobicContact CB-CB 4.32Å; L77-F131 HydrophobicContact CB-CD2 3.76Å; L77-F131 HydrophobicContact CB-CE2 4.27Å; L77-F131 HydrophobicContact CB-CG 4.12Å; L77-F131 HydrophobicContact CD1-CB 4.2Å; L77-F131 WeakPolarHBondContact O-CD1 3.47Å; L77-F131 VanDerWaalsContact O-CE1 3.28Å; L77-F131 WeakPolarHBondContact O-CE1 3.41Å; L77-F131 WeakPolarHBondContact O-CZ 3.41Å; L77-F132 HydrophobicContact CD1-CE1 4.41Å; L77-P135 HydrophobicContact CD2-CB 3.52Å; L77-P135 HydrophobicContact CD2-CG 3.74Å; L77-F137 HydrophobicContact CD2-CE1 3.87Å; L77-F137 HydrophobicContact CD2-CE2 4.41Å; L77-F137 HydrophobicContact CD2-CZ 3.49Å; L77-F137 VanDerWaalsContact CD2-CZ 3.49Å; L77-Y208 HydrophobicContact CD1-CE2 4.48Å; L77-Y208 HydrophobicContact CD2-CD2 4.18Å; L77-Y208 HydrophobicContact CD2-CE2 3.93Å; L77-Y212 HydrophobicContact CD1-CD1 4.35Å; L77-Y212 HydrophobicContact CD1-CE1 3.63Å
78	F	93.9	Very high	94.7	Very high	41 Å²	41	30.8 Å²	30.8	18%	0.18	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.2	176.7	-69	-99.8	0	0	0	113	E74 H75 M76 G80 Y90 A103 Y112 F131	E74-F78 VanDerWaalsContact O-CD2 3.31Å; E74-F78 WeakPolarHBondContact O-CD2 3.43Å; H75-F78 PolarHBondContact O-N 3.28Å; M76-F78 PolarHBondContact O-N 3.03Å; F78-G80 VanDerWaalsContact C-N 3.33Å; F78-G80 PolarHBondContact O-N 3.32Å; F78-Y90 AromaticContact CD1-CD1 3.74Å; F78-Y90 HydrophobicContact CD1-CD1 3.74Å; F78-Y90 AromaticContact CD1-CE1 3.85Å; F78-Y90 HydrophobicContact CD1-CE1 3.85Å; F78-Y90 HydrophobicContact CE1-CD1 4.05Å; F78-Y90 AromaticContact CE1-CE1 3.65Å; F78-Y90 HydrophobicContact CE1-CE1 3.65Å; F78-A103 HydrophobicContact CE2-CB 3.73Å; F78-A103 HydrophobicContact CZ-CB 3.71Å; F78-Y112 AromaticContact CE2-CD1 3.93Å; F78-Y112 HydrophobicContact CE2-CD1 3.93Å; F78-Y112 HydrophobicContact CE2-CE1 4.09Å; F78-Y112 HydrophobicContact CZ-CD1 4.19Å; F78-F131 HydrophobicContact CD1-CE2 4.18Å; F78-F131 HydrophobicContact CD1-CZ 4.3Å; F78-F131 HydrophobicContact CD2-CE2 4.4Å; F78-F131 HydrophobicContact CE1-CE2 4.35Å; F78-F131 HydrophobicContact CG-CE2 4.2Å; F78-F131 HydrophobicContact CG-CZ 4.42Å
79	L	92.5	Very high	94.6	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.084	17%	0.174	C	C	.	.	S	Bend	trans	-96	36	-167.5	-55.8	-179.8	0	0	0	113.6	M76 L77 A141 E145	M76-L79 PolarHBondContact O-N 2.86Å; M76-L79 HydrophobicContact SD-CD1 3.91Å; L77-L79 VanDerWaalsContact C-N 3.28Å; L77-L79 PolarHBondContact O-N 2.72Å; L79-A141 HydrophobicContact CB-CB 4.12Å; L79-A141 HydrophobicContact CD1-CB 3.83Å; L79-E145 HydrophobicContact CD1-CB 3.79Å; L79-E145 HydrophobicContact CD1-CG 3.8Å
80	G	93.1	Very high	94.5	Very high	5 Å²	5	32.7 Å²	32.7	5%	0.052	18%	0.175	C	C	.	.			trans	102.5	146.7	170.1	0	0	0	0	0	115.6	F78 F84 L136	F78-G80 VanDerWaalsContact C-N 3.33Å; F78-G80 PolarHBondContact O-N 3.32Å; G80-F84 WeakPolarHBondContact CA-O 3.24Å; G80-L136 PolarHBondContact O-N 2.95Å; G80-L136 VanDerWaalsContact O-N 3.15Å
81	T	96	Very high	94.1	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-125.6	168.4	179.9	65.6	0	0	0	0	109.9	S83 F84 P85 Q130 F131 L136	T81-S83 PolarHBondContact O-N 3.39Å; T81-F84 PolarHBondContact N-O 3.5Å; T81-F84 CarbonylContact O-C 3.57Å; T81-F84 PolarHBondContact O-N 3.3Å; T81-F84 PolarHBondContact OG1-N 2.74Å; T81-P85 VanDerWaalsContact O-CA 3.25Å; T81-P85 WeakPolarHBondContact O-CA 3.32Å; T81-P85 VanDerWaalsContact O-N 3.13Å; T81-Q130 HydrophobicContact CG2-CB 3.77Å; T81-Q130 WeakPolarHBondContact OG1-CB 3.41Å; T81-F131 HydrophobicContact CG2-CD1 3.87Å; T81-F131 HydrophobicContact CG2-CE1 4.4Å; T81-L136 WeakPolarHBondContact O-CD1 3.38Å
82	K	95.1	Very high	93.8	Very high	153 Å²	153	36.9 Å²	36.9	67%	0.665	20%	0.195	S	C	*	.	S	Bend	trans	-56.8	-39	179.6	-175	178.6	176.8	-175.7	0	113	C134 L136	K82-C134 HydrophobicContact CB-CB 4.09Å; K82-C134 PolarHBondContact N-O 3.33Å; K82-L136 HydrophobicContact CB-CD2 4.46Å
83	S	94.9	Very high	93.7	Very high	69 Å²	69	39.4 Å²	39.4	48%	0.483	21%	0.205	S	C	.	.	S	Bend	trans	-80.2	-27.7	-179.6	-55.5	0	0	0	0	112.5	T81 Q130	T81-S83 PolarHBondContact O-N 3.39Å; S83-Q130 PolarHBondContact OG-OE1 2.94Å
84	F	95.8	Very high	93.5	Very high	61 Å²	61	39.5 Å²	39.5	27%	0.268	21%	0.205	S	C	.	.	S	Bend	trans	-130.6	76.8	-179.9	-57.3	-79.2	0	0	0	109.7	G80 T81 T86 T89 D126 I127 Q130	G80-F84 WeakPolarHBondContact CA-O 3.24Å; T81-F84 PolarHBondContact N-O 3.5Å; T81-F84 CarbonylContact O-C 3.57Å; T81-F84 PolarHBondContact O-N 3.3Å; T81-F84 PolarHBondContact OG1-N 2.74Å; F84-T86 VanDerWaalsContact C-N 3.33Å; F84-T86 PolarHBondContact O-N 3.42Å; F84-T89 HydrophobicContact CB-CG2 4.1Å; F84-T89 HydrophobicContact CD1-CG2 4.02Å; F84-T89 HydrophobicContact CG-CG2 4.38Å; F84-D126 WeakPolarHBondContact CE2-O 3.44Å; F84-D126 HydrophobicContact CZ-CB 4.38Å; F84-I127 HydrophobicContact CD1-CG1 4.07Å; F84-I127 HydrophobicContact CD2-CB 4.26Å; F84-I127 HydrophobicContact CD2-CG1 4.12Å; F84-I127 HydrophobicContact CD2-CG2 4.17Å; F84-I127 HydrophobicContact CE1-CG1 3.87Å; F84-I127 HydrophobicContact CE2-CB 4.26Å; F84-I127 HydrophobicContact CE2-CG1 3.95Å; F84-I127 HydrophobicContact CG-CG1 4.18Å; F84-I127 HydrophobicContact CG-CG2 4.29Å; F84-I127 HydrophobicContact CZ-CG1 3.81Å; F84-Q130 HydrophobicContact CD2-CG 4.05Å; F84-Q130 HydrophobicContact CE2-CG 3.96Å
85	P	93.7	Very high	93	Very high	81 Å²	81	39.9 Å²	39.9	53%	0.526	21%	0.208	S	C	.	.			trans	-76	-17.1	-168.2	29	-36.4	0	0	0	114.5	T81 E87 L136	T81-P85 VanDerWaalsContact O-CA 3.25Å; T81-P85 WeakPolarHBondContact O-CA 3.32Å; T81-P85 VanDerWaalsContact O-N 3.13Å; P85-E87 PolarHBondContact O-N 2.87Å; P85-L136 HydrophobicContact CB-CD1 3.91Å
86	T	92.1	Very high	92.7	Very high	84 Å²	84	40 Å²	40	52%	0.515	21%	0.209	S	C	.	.	S	Bend	trans	-72.9	124.5	177.2	-55.4	0	0	0	0	109.8	F84 N88 T89	F84-T86 VanDerWaalsContact C-N 3.33Å; F84-T86 PolarHBondContact O-N 3.42Å; T86-N88 VanDerWaalsContact C-N 3.34Å; T86-N88 PolarHBondContact O-N 3.46Å; T86-T89 VanDerWaalsContact CB-OG1 3.32Å; T86-T89 WeakPolarHBondContact CB-OG1 3.34Å; T86-T89 WeakPolarHBondContact O-CB 3.22Å; T86-T89 PolarHBondContact O-N 2.79Å; T86-T89 VanDerWaalsContact O-N 3.08Å; T86-T89 PolarHBondContact O-OG1 3.28Å
87	E	90	Very high	92.4	Very high	47 Å²	47	42.2 Å²	42.2	22%	0.22	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.3	-166.6	-61.2	-172.9	172	0	0	114.5	P85 R144	P85-E87 PolarHBondContact O-N 2.87Å; E87-R144 IonicContact OE1-CZ 3.34Å; E87-R144 IonicContact OE1-NH2 3.69Å; E87-R144 PolarHBondContact OE1-NH2 3.22Å; E87-R144 IonicContact OE2-CZ 3Å; E87-R144 VanDerWaalsContact OE2-CZ 3.26Å; E87-R144 IonicContact OE2-NH1 2.89Å; E87-R144 PolarHBondContact OE2-NH1 3.35Å; E87-R144 IonicContact OE2-NH2 3.72Å; E87-R144 PolarHBondContact OE2-NH2 3.17Å
88	N	87.9	Confident	91.8	Very high	38 Å²	38	42.7 Å²	42.7	20%	0.203	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	8.8	-179.2	72.8	-30.7	0	0	0	114	T86 Y90 L91 K92 E807	T86-N88 VanDerWaalsContact C-N 3.34Å; T86-N88 PolarHBondContact O-N 3.46Å; N88-Y90 PolarHBondContact O-N 3.39Å; N88-L91 PolarHBondContact O-N 2.91Å; N88-K92 WeakPolarHBondContact O-CB 2.94Å; N88-K92 PolarHBondContact O-N 3.11Å; N88-E807 PolarHBondContact ND2-OE1 3.19Å
89	T	93.7	Very high	91.5	Very high	35 Å²	35	41.1 Å²	41.1	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-52.1	-45.2	-176.8	-55.2	0	0	0	0	111.9	F84 T86 Y93 I127	F84-T89 HydrophobicContact CB-CG2 4.1Å; F84-T89 HydrophobicContact CD1-CG2 4.02Å; F84-T89 HydrophobicContact CG-CG2 4.38Å; T86-T89 VanDerWaalsContact CB-OG1 3.32Å; T86-T89 WeakPolarHBondContact CB-OG1 3.34Å; T86-T89 WeakPolarHBondContact O-CB 3.22Å; T86-T89 PolarHBondContact O-N 2.79Å; T86-T89 VanDerWaalsContact O-N 3.08Å; T86-T89 PolarHBondContact O-OG1 3.28Å; T89-Y93 VanDerWaalsContact O-CB 3.28Å; T89-Y93 WeakPolarHBondContact O-CB 3.11Å; T89-Y93 PolarHBondContact O-N 3.18Å; T89-I127 HydrophobicContact CG2-CD1 4.22Å
90	Y	93.6	Very high	91.4	Very high	6 Å²	6	45.7 Å²	45.7	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-53.5	-179.1	179.4	-107.2	0	0	0	111.6	F78 N88 K92 Y93 I94 C101 F114 I127 F128 F131	F78-Y90 AromaticContact CD1-CD1 3.74Å; F78-Y90 HydrophobicContact CD1-CD1 3.74Å; F78-Y90 AromaticContact CD1-CE1 3.85Å; F78-Y90 HydrophobicContact CD1-CE1 3.85Å; F78-Y90 HydrophobicContact CE1-CD1 4.05Å; F78-Y90 AromaticContact CE1-CE1 3.65Å; F78-Y90 HydrophobicContact CE1-CE1 3.65Å; N88-Y90 PolarHBondContact O-N 3.39Å; Y90-K92 VanDerWaalsContact C-N 3.33Å; Y90-K92 PolarHBondContact O-N 3.44Å; Y90-Y93 PolarHBondContact O-N 3.24Å; Y90-I94 HydrophobicContact CD1-CG1 4.48Å; Y90-I94 HydrophobicContact CD2-CG1 4.19Å; Y90-I94 HydrophobicContact CE1-CG1 4.2Å; Y90-I94 HydrophobicContact CE2-CD1 4Å; Y90-I94 HydrophobicContact CE2-CG1 3.88Å; Y90-I94 HydrophobicContact CG-CG1 4.49Å; Y90-I94 VanDerWaalsContact O-CG1 3.29Å; Y90-I94 WeakPolarHBondContact O-CG1 3.29Å; Y90-I94 PolarHBondContact O-N 3.39Å; Y90-C101 HydrophobicContact CE1-CB 3.55Å; Y90-C101 VanDerWaalsContact CE1-SG 3.59Å; Y90-F114 VanDerWaalsContact OH-CB 3.32Å; Y90-F114 WeakPolarHBondContact OH-CB 3.14Å; Y90-F114 VanDerWaalsContact OH-CD1 3.26Å; Y90-F114 WeakPolarHBondContact OH-CD1 3.34Å; Y90-I127 HydrophobicContact CD2-CB 4.31Å; Y90-I127 HydrophobicContact CD2-CG2 3.77Å; Y90-I127 HydrophobicContact CG-CG2 4.32Å; Y90-F128 HydrophobicContact CE2-CB 4.12Å; Y90-F128 HydrophobicContact CE2-CD2 4.07Å; Y90-F131 HydrophobicContact CD1-CE2 4.43Å; Y90-F131 AromaticContact CD1-CZ 3.75Å; Y90-F131 HydrophobicContact CD1-CZ 3.75Å; Y90-F131 HydrophobicContact CD2-CE1 4.33Å; Y90-F131 HydrophobicContact CD2-CZ 4.05Å; Y90-F131 HydrophobicContact CE1-CE2 4.4Å; Y90-F131 HydrophobicContact CE1-CZ 4.12Å; Y90-F131 HydrophobicContact CE2-CZ 4.41Å; Y90-F131 HydrophobicContact CG-CE1 4.19Å; Y90-F131 AromaticContact CG-CZ 3.68Å; Y90-F131 HydrophobicContact CG-CZ 3.68Å
91	L	90.5	Very high	91.4	Very high	47 Å²	47	46.8 Å²	46.8	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-41.8	-179.1	-177.7	61.7	0	0	0	112.1	N88 T95 E807 F810	N88-L91 PolarHBondContact O-N 2.91Å; L91-T95 WeakPolarHBondContact O-CB 3.41Å; L91-T95 PolarHBondContact O-N 3.18Å; L91-T95 PolarHBondContact O-OG1 3.06Å; L91-E807 HydrophobicContact CD2-CG 4.39Å; L91-E807 HydrophobicContact CG-CG 4.22Å; L91-F810 HydrophobicContact CD2-CD1 3.85Å; L91-F810 HydrophobicContact CD2-CE1 3.97Å
92	K	90.3	Very high	91.4	Very high	61 Å²	61	51.2 Å²	51.2	27%	0.265	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-51.4	174.7	177	165.2	175.5	52.7	0	110.9	N88 Y90 I94 T95 D96 E871	N88-K92 WeakPolarHBondContact O-CB 2.94Å; N88-K92 PolarHBondContact O-N 3.11Å; Y90-K92 VanDerWaalsContact C-N 3.33Å; Y90-K92 PolarHBondContact O-N 3.44Å; K92-I94 VanDerWaalsContact C-N 3.35Å; K92-I94 PolarHBondContact O-N 3.49Å; K92-T95 PolarHBondContact O-N 3.42Å; K92-D96 WeakPolarHBondContact CE-OD2 3.47Å; K92-D96 WeakPolarHBondContact CG-OD2 3.5Å; K92-D96 IonicContact NZ-OD1 3.79Å; K92-D96 PolarHBondContact NZ-OD1 2.97Å; K92-D96 IonicContact NZ-OD2 2.87Å; K92-D96 PolarHBondContact NZ-OD2 3.32Å; K92-D96 VanDerWaalsContact O-CB 3.25Å; K92-D96 WeakPolarHBondContact O-CB 3.34Å; K92-D96 PolarHBondContact O-N 2.6Å; K92-E871 IonicContact NZ-OE1 3.89Å; K92-E871 PolarHBondContact NZ-OE1 2.83Å
93	Y	93.9	Very high	91.5	Very high	53 Å²	53	44.3 Å²	44.3	21%	0.208	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-46	180	-173.4	-81.3	0	0	0	111.9	T89 Y90 H97 S120 G123 A124 I127	T89-Y93 VanDerWaalsContact O-CB 3.28Å; T89-Y93 WeakPolarHBondContact O-CB 3.11Å; T89-Y93 PolarHBondContact O-N 3.18Å; Y90-Y93 PolarHBondContact O-N 3.24Å; Y93-H97 AromaticContact CD1-ND1 3.68Å; Y93-H97 AromaticContact CD2-CE1 3.61Å; Y93-H97 AromaticContact CD2-ND1 3.81Å; Y93-H97 AromaticContact CE1-ND1 3.61Å; Y93-H97 AromaticContact CE2-CE1 3.39Å; Y93-H97 WeakPolarHBondContact CE2-CE1 3.44Å; Y93-H97 AromaticContact CE2-ND1 3.77Å; Y93-H97 AromaticContact CG-ND1 3.77Å; Y93-H97 AromaticContact CZ-CE1 3.62Å; Y93-H97 AromaticContact CZ-ND1 3.66Å; Y93-H97 PolarHBondContact O-N 3.09Å; Y93-H97 PolarHBondContact O-ND1 3.37Å; Y93-S120 PolarHBondContact OH-O 3.22Å; Y93-G123 VanDerWaalsContact OH-CA 3.27Å; Y93-G123 WeakPolarHBondContact OH-CA 3.33Å; Y93-A124 HydrophobicContact CD1-CB 4.25Å; Y93-A124 HydrophobicContact CE1-CB 3.81Å; Y93-A124 VanDerWaalsContact CE1-N 3.34Å; Y93-I127 HydrophobicContact CD1-CD1 4.13Å; Y93-I127 HydrophobicContact CD2-CD1 3.77Å; Y93-I127 HydrophobicContact CE2-CD1 4.48Å; Y93-I127 HydrophobicContact CG-CD1 3.56Å
94	I	93.5	Very high	91.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-46.6	178.7	-64.8	-61.3	0	0	0	110.7	Y90 K92 H97 G98 G99 C101 F114 V116 A124	Y90-I94 HydrophobicContact CD1-CG1 4.48Å; Y90-I94 HydrophobicContact CD2-CG1 4.19Å; Y90-I94 HydrophobicContact CE1-CG1 4.2Å; Y90-I94 HydrophobicContact CE2-CD1 4Å; Y90-I94 HydrophobicContact CE2-CG1 3.88Å; Y90-I94 HydrophobicContact CG-CG1 4.49Å; Y90-I94 VanDerWaalsContact O-CG1 3.29Å; Y90-I94 WeakPolarHBondContact O-CG1 3.29Å; Y90-I94 PolarHBondContact O-N 3.39Å; K92-I94 VanDerWaalsContact C-N 3.35Å; K92-I94 PolarHBondContact O-N 3.49Å; I94-H97 CarbonylContact O-C 3.32Å; I94-H97 PolarHBondContact O-N 3.37Å; I94-G98 PolarHBondContact O-N 3.38Å; I94-G99 VanDerWaalsContact O-CA 3.3Å; I94-G99 WeakPolarHBondContact O-CA 3.38Å; I94-G99 PolarHBondContact O-N 2.8Å; I94-C101 HydrophobicContact CG1-CB 4.36Å; I94-C101 HydrophobicContact CG2-CB 4.17Å; I94-F114 HydrophobicContact CD1-CB 3.97Å; I94-F114 HydrophobicContact CD1-CD2 3.72Å; I94-F114 HydrophobicContact CD1-CE2 4.41Å; I94-F114 HydrophobicContact CD1-CG 3.91Å; I94-V116 HydrophobicContact CD1-CG1 3.46Å; I94-V116 VanDerWaalsContact CD1-CG1 3.46Å; I94-A124 HydrophobicContact CD1-CB 4.16Å
95	T	86.5	Confident	91.6	Very high	20 Å²	20	43.4 Å²	43.4	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-43.5	-179.4	-54.4	0	0	0	0	112.5	L91 K92 H97 G98 Q803 E807	L91-T95 WeakPolarHBondContact O-CB 3.41Å; L91-T95 PolarHBondContact O-N 3.18Å; L91-T95 PolarHBondContact O-OG1 3.06Å; K92-T95 PolarHBondContact O-N 3.42Å; T95-H97 PolarHBondContact O-N 2.85Å; T95-G98 PolarHBondContact O-N 3.36Å; T95-Q803 PolarHBondContact O-NE2 3.41Å; T95-Q803 VanDerWaalsContact O-NE2 3.15Å; T95-E807 HydrophobicContact CG2-CB 4.03Å
96	D	87.7	Confident	91.7	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-31.3	179.1	-72.6	-5.1	0	0	0	110.9	K92 V874 H875 S878	K92-D96 WeakPolarHBondContact CE-OD2 3.47Å; K92-D96 WeakPolarHBondContact CG-OD2 3.5Å; K92-D96 IonicContact NZ-OD1 3.79Å; K92-D96 PolarHBondContact NZ-OD1 2.97Å; K92-D96 IonicContact NZ-OD2 2.87Å; K92-D96 PolarHBondContact NZ-OD2 3.32Å; K92-D96 VanDerWaalsContact O-CB 3.25Å; K92-D96 WeakPolarHBondContact O-CB 3.34Å; K92-D96 PolarHBondContact O-N 2.6Å; D96-V874 HydrophobicContact CB-CG1 3.79Å; D96-V874 WeakPolarHBondContact O-CG1 3.26Å; D96-H875 IonicContact OD1-CE1 3.41Å; D96-S878 WeakPolarHBondContact O-CB 3.39Å
97	H	89.5	Confident	91.9	Very high	47 Å²	47	38.1 Å²	38.1	22%	0.218	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	30.6	-178.2	-58.8	94.2	0	0	0	114.2	Y93 I94 T95 G99 A117 S120	Y93-H97 AromaticContact CD1-ND1 3.68Å; Y93-H97 AromaticContact CD2-CE1 3.61Å; Y93-H97 AromaticContact CD2-ND1 3.81Å; Y93-H97 AromaticContact CE1-ND1 3.61Å; Y93-H97 AromaticContact CE2-CE1 3.39Å; Y93-H97 WeakPolarHBondContact CE2-CE1 3.44Å; Y93-H97 AromaticContact CE2-ND1 3.77Å; Y93-H97 AromaticContact CG-ND1 3.77Å; Y93-H97 AromaticContact CZ-CE1 3.62Å; Y93-H97 AromaticContact CZ-ND1 3.66Å; Y93-H97 PolarHBondContact O-N 3.09Å; Y93-H97 PolarHBondContact O-ND1 3.37Å; I94-H97 CarbonylContact O-C 3.32Å; I94-H97 PolarHBondContact O-N 3.37Å; T95-H97 PolarHBondContact O-N 2.85Å; H97-G99 PolarHBondContact O-N 2.92Å; H97-A117 WeakPolarHBondContact O-CB 3.45Å; H97-A117 PolarHBondContact O-N 3.47Å; H97-S120 PolarHBondContact CD2-OG 3.42Å
98	G	83.4	Confident	92.1	Very high	11 Å²	11	36.8 Å²	36.8	11%	0.113	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	20.3	171.1	0	0	0	0	0	115.2	K48 I94 T95 S878	K48-G98 WeakPolarHBondContact CE-O 3.22Å; K48-G98 PolarHBondContact NZ-O 3.44Å; I94-G98 PolarHBondContact O-N 3.38Å; T95-G98 PolarHBondContact O-N 3.36Å; G98-S878 WeakPolarHBondContact CA-OG 3.32Å; G98-S878 PolarHBondContact N-OG 3.24Å
99	G	88.4	Confident	92.5	Very high	8 Å²	8	37.4 Å²	37.4	8%	0.082	20%	0.195	C	C	.	.			trans	-102.5	170.2	-176.2	0	0	0	0	0	114.7	I94 H97 D115	I94-G99 VanDerWaalsContact O-CA 3.3Å; I94-G99 WeakPolarHBondContact O-CA 3.38Å; I94-G99 PolarHBondContact O-N 2.8Å; H97-G99 PolarHBondContact O-N 2.92Å; G99-D115 WeakPolarHBondContact CA-O 3.46Å; G99-D115 VanDerWaalsContact CA-OD1 3.3Å; G99-D115 WeakPolarHBondContact CA-OD1 3.37Å
100	H	88.8	Confident	92.7	Very high	112 Å²	112	35.7 Å²	35.7	52%	0.519	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.5	170.9	-52.8	86.4	0	0	0	108.1	K48 F114 D115 Y394	K48-H100 PolarHBondContact NZ-ND1 3.36Å; H100-F114 CarbonylContact O-C 3.4Å; H100-F114 WeakPolarHBondContact O-CA 3.39Å; H100-F114 WeakPolarHBondContact O-CB 3.39Å; H100-D115 IonicContact CG-OD1 2.88Å; H100-D115 PolarHBondContact N-O 3.42Å; H100-D115 PolarHBondContact N-OD1 3.45Å; H100-D115 IonicContact ND1-OD1 2.62Å; H100-D115 PolarHBondContact ND1-OD1 3.15Å; H100-D115 IonicContact ND1-OD2 3.14Å; H100-D115 PolarHBondContact O-N 2.78Å; H100-Y394 HydrophobicContact CB-CE2 4.46Å
101	C	94.5	Very high	92.9	Very high	28 Å²	28	35.4 Å²	35.4	19%	0.189	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.2	173.9	61.7	0	0	0	0	110.5	Y90 I94 V113 F114	Y90-C101 HydrophobicContact CE1-CB 3.55Å; Y90-C101 VanDerWaalsContact CE1-SG 3.59Å; I94-C101 HydrophobicContact CG1-CB 4.36Å; I94-C101 HydrophobicContact CG2-CB 4.17Å; C101-V113 CarbonylContact C-O 2.92Å; C101-V113 VanDerWaalsContact CA-O 3.25Å; C101-V113 WeakPolarHBondContact CA-O 3.2Å; C101-F114 HydrophobicContact CB-CB 3.86Å
102	N	94.7	Very high	93.3	Very high	95 Å²	95	33.2 Å²	33.2	51%	0.508	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	172.5	170.9	-154.1	-0.3	0	0	0	110.2	V113 Y394	N102-V113 PolarHBondContact N-O 3Å; N102-V113 WeakPolarHBondContact O-CG1 3.41Å; N102-V113 PolarHBondContact O-N 2.7Å; N102-V113 VanDerWaalsContact O-O 3.12Å; N102-Y394 WeakPolarHBondContact CB-OH 3.36Å; N102-Y394 PolarHBondContact N-OH 2.99Å
103	A	97	Very high	93.7	Very high	7 Å²	7	30.5 Å²	30.5	6%	0.058	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	167.1	167.6	0	0	0	0	0	110.5	E74 F78 S111 Y112	E74-A103 HydrophobicContact CG-CB 3.5Å; E74-A103 VanDerWaalsContact CG-CB 3.5Å; E74-A103 WeakPolarHBondContact OE1-CB 3.41Å; F78-A103 HydrophobicContact CE2-CB 3.73Å; F78-A103 HydrophobicContact CZ-CB 3.71Å; A103-S111 CarbonylContact C-O 3.56Å; A103-S111 WeakPolarHBondContact CA-O 2.93Å; A103-S111 WeakPolarHBondContact CB-O 3.46Å; A103-Y112 HydrophobicContact CB-CD1 3.61Å; A103-Y112 HydrophobicContact CB-CE1 4.06Å; A103-Y112 HydrophobicContact CB-CG 4.19Å
104	F	96.9	Very high	93.9	Very high	82 Å²	82	28 Å²	28	36%	0.36	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.3	172.1	57.1	-90.5	0	0	0	111.5	E74 T110 S111 T398	E74-F104 VanDerWaalsContact OE2-CA 3.27Å; E74-F104 WeakPolarHBondContact OE2-CA 3.35Å; F104-T110 WeakPolarHBondContact O-CA 3.41Å; F104-S111 VanDerWaalsContact CZ-CB 3.44Å; F104-S111 PolarHBondContact N-O 2.75Å; F104-S111 PolarHBondContact O-N 3.22Å; F104-T398 HydrophobicContact CE1-CG2 3.74Å; F104-T398 HydrophobicContact CZ-CG2 3.88Å
105	T	97.7	Very high	94.1	Very high	30 Å²	30	28.5 Å²	28.5	18%	0.184	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.1	175.6	-57.2	0	0	0	0	110.3	S59 A70 H71 E74	S59-T105 WeakPolarHBondContact OG-CG2 3.21Å; A70-T105 HydrophobicContact CB-CG2 3.88Å; H71-T105 WeakPolarHBondContact CA-OG1 3.45Å; H71-T105 HydrophobicContact CB-CG2 4.36Å; E74-T105 WeakPolarHBondContact CB-OG1 3.42Å; E74-T105 PolarHBondContact OE2-N 3.27Å; E74-T105 PolarHBondContact OE2-OG1 3.17Å
106	S	95.1	Very high	94.5	Very high	24 Å²	24	27.5 Å²	27.5	17%	0.168	15%	0.148	C	C	.	.			trans	-96.4	-178.7	169.9	82.2	0	0	0	0	110.4	G58 S59 D108 K109	G58-S106 VanDerWaalsContact CA-O 3.31Å; G58-S106 WeakPolarHBondContact CA-O 3.23Å; S59-S106 PolarHBondContact N-O 3.04Å; S106-D108 VanDerWaalsContact C-N 3.31Å; S106-D108 PolarHBondContact O-N 2.94Å; S106-D108 PolarHBondContact OG-N 2.85Å; S106-D108 PolarHBondContact OG-OD1 3.2Å; S106-D108 VanDerWaalsContact OG-OD1 3.06Å; S106-K109 PolarHBondContact N-O 3.38Å; S106-K109 WeakPolarHBondContact OG-CG 3.42Å; S106-K109 PolarHBondContact OG-N 3.35Å; S106-K109 PolarHBondContact OG-O 2.65Å
107	P	95.4	Very high	94.7	Very high	29 Å²	29	27.3 Å²	27.3	19%	0.188	15%	0.149	C	C	.	.	S	Bend	trans	-61.4	-36	175.7	-21.3	33.1	0	0	0	113.2	G58 S59 L60 F182 P329	G58-P107 CarbonylContact C-O 3.56Å; G58-P107 WeakPolarHBondContact CA-O 3.3Å; S59-P107 PolarHBondContact N-O 3.31Å; S59-P107 VanDerWaalsContact N-O 3.1Å; L60-P107 VanDerWaalsContact CB-O 3.28Å; L60-P107 WeakPolarHBondContact CB-O 3.17Å; L60-P107 HydrophobicContact CD1-CB 3.7Å; L60-P107 HydrophobicContact CG-CB 3.76Å; L60-P107 WeakPolarHBondContact CG-O 3.42Å; L60-P107 PolarHBondContact N-O 3.5Å; P107-F182 HydrophobicContact CB-CD2 4.39Å; P107-F182 HydrophobicContact CB-CE2 3.78Å; P107-F182 HydrophobicContact CB-CZ 4.08Å; P107-F182 HydrophobicContact CG-CD2 4.06Å; P107-F182 HydrophobicContact CG-CE2 3.63Å; P107-F182 HydrophobicContact CG-CZ 4.42Å; P107-P329 HydrophobicContact CB-CB 4.38Å; P107-P329 WeakPolarHBondContact CB-O 3.42Å; P107-P329 HydrophobicContact CG-CB 4.19Å
108	D	94.7	Very high	94.9	Very high	20 Å²	20	25.6 Å²	25.6	11%	0.107	14%	0.141	C	C	.	.	S	Bend	trans	-117.2	-8.5	-173.3	68.2	-18.7	0	0	0	115.6	N56 I57 G58 S106 R328 A330	N56-D108 CarbonylContact C-O 3.52Å; I57-D108 CarbonylContact C-O 3.51Å; I57-D108 VanDerWaalsContact CA-O 3.26Å; I57-D108 WeakPolarHBondContact CA-O 3.29Å; I57-D108 PolarHBondContact N-O 2.95Å; G58-D108 PolarHBondContact N-O 3.28Å; S106-D108 VanDerWaalsContact C-N 3.31Å; S106-D108 PolarHBondContact O-N 2.94Å; S106-D108 PolarHBondContact OG-N 2.85Å; S106-D108 PolarHBondContact OG-OD1 3.2Å; S106-D108 VanDerWaalsContact OG-OD1 3.06Å; D108-R328 IonicContact OD2-NH1 3Å; D108-A330 HydrophobicContact CB-CB 3.84Å
109	K	96.3	Very high	95.4	Very high	50 Å²	50	33 Å²	33	22%	0.217	17%	0.173	C	C	.	.			trans	-143.8	160.5	178.1	61.7	172.8	-179.8	-172.9	0	113.4	V55 I57 S106 L405	V55-K109 CarbonylContact O-C 3.35Å; V55-K109 WeakPolarHBondContact O-CA 3.47Å; V55-K109 WeakPolarHBondContact O-CB 3.48Å; I57-K109 CarbonylContact O-C 3.55Å; I57-K109 WeakPolarHBondContact O-CA 3.39Å; S106-K109 PolarHBondContact N-O 3.38Å; S106-K109 WeakPolarHBondContact OG-CG 3.42Å; S106-K109 PolarHBondContact OG-N 3.35Å; S106-K109 PolarHBondContact OG-O 2.65Å; K109-L405 HydrophobicContact CB-CD1 4.24Å; K109-L405 HydrophobicContact CD-CD1 4.32Å
110	T	98.4	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.2	171.1	-49.3	0	0	0	0	108.4	S54 V55 I57 E74 F104 Y112	S54-T110 CarbonylContact C-O 3.56Å; S54-T110 WeakPolarHBondContact CA-O 3.23Å; V55-T110 PolarHBondContact N-O 3.17Å; V55-T110 PolarHBondContact O-N 3.4Å; I57-T110 PolarHBondContact O-N 3.4Å; I57-T110 PolarHBondContact O-OG1 2.93Å; E74-T110 HydrophobicContact CB-CG2 3.92Å; E74-T110 HydrophobicContact CG-CG2 3.87Å; F104-T110 WeakPolarHBondContact O-CA 3.41Å; T110-Y112 HydrophobicContact CG2-CE2 3.67Å
111	S	98.4	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.4	-174.9	-65.5	0	0	0	0	111	S54 A103 F104	S54-S111 WeakPolarHBondContact CB-OG 3.43Å; S54-S111 PolarHBondContact OG-OG 3Å; A103-S111 CarbonylContact C-O 3.56Å; A103-S111 WeakPolarHBondContact CA-O 2.93Å; A103-S111 WeakPolarHBondContact CB-O 3.46Å; F104-S111 VanDerWaalsContact CZ-CB 3.44Å; F104-S111 PolarHBondContact N-O 2.75Å; F104-S111 PolarHBondContact O-N 3.22Å
112	Y	98.6	Very high	96.2	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.9	176.4	-55	-97.3	0	0	0	109.2	C52 L53 E74 L77 F78 A103 T110 F131 F132 Y212	C52-Y112 CarbonylContact C-O 3.2Å; C52-Y112 VanDerWaalsContact CA-O 3.27Å; C52-Y112 WeakPolarHBondContact CA-O 3.39Å; C52-Y112 PolarHBondContact SG-O 3.39Å; L53-Y112 PolarHBondContact N-O 2.8Å; L53-Y112 PolarHBondContact O-N 2.83Å; E74-Y112 VanDerWaalsContact CA-OH 3.27Å; E74-Y112 WeakPolarHBondContact CA-OH 3.25Å; E74-Y112 HydrophobicContact CB-CE1 4.33Å; E74-Y112 HydrophobicContact CG-CD1 4.5Å; E74-Y112 HydrophobicContact CG-CE1 3.73Å; L77-Y112 HydrophobicContact CB-CE1 4.2Å; L77-Y112 HydrophobicContact CD1-CE1 3.82Å; L77-Y112 HydrophobicContact CD1-CE2 4.21Å; L77-Y112 WeakPolarHBondContact CD1-OH 3.33Å; L77-Y112 HydrophobicContact CG-CE1 4.42Å; F78-Y112 AromaticContact CE2-CD1 3.93Å; F78-Y112 HydrophobicContact CE2-CD1 3.93Å; F78-Y112 HydrophobicContact CE2-CE1 4.09Å; F78-Y112 HydrophobicContact CZ-CD1 4.19Å; A103-Y112 HydrophobicContact CB-CD1 3.61Å; A103-Y112 HydrophobicContact CB-CE1 4.06Å; A103-Y112 HydrophobicContact CB-CG 4.19Å; T110-Y112 HydrophobicContact CG2-CE2 3.67Å; Y112-F131 HydrophobicContact CD1-CD2 4.44Å; Y112-F132 AromaticContact CD2-CE1 3.77Å; Y112-F132 HydrophobicContact CD2-CE1 3.77Å; Y112-F132 AromaticContact CD2-CZ 3.75Å; Y112-F132 HydrophobicContact CD2-CZ 3.75Å; Y112-F132 AromaticContact CE2-CE1 3.9Å; Y112-F132 HydrophobicContact CE2-CE1 3.9Å; Y112-F132 HydrophobicContact CE2-CZ 4.31Å; Y112-F132 HydrophobicContact CG-CE1 4.46Å; Y112-F132 HydrophobicContact CG-CZ 4.05Å; Y112-Y212 HydrophobicContact CE2-CE1 4.15Å; Y112-Y212 PolarHBondContact OH-OH 2.97Å
113	V	98.4	Very high	96.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.8	-172.9	52.7	0	0	0	0	112	V51 C52 C101 N102 Y394 V397 T398	V51-V113 VanDerWaalsContact O-CA 3.31Å; V51-V113 WeakPolarHBondContact O-CA 3.39Å; C52-V113 HydrophobicContact CB-CB 4.13Å; C52-V113 HydrophobicContact CB-CG2 4.25Å; C101-V113 CarbonylContact C-O 2.92Å; C101-V113 VanDerWaalsContact CA-O 3.25Å; C101-V113 WeakPolarHBondContact CA-O 3.2Å; N102-V113 PolarHBondContact N-O 3Å; N102-V113 WeakPolarHBondContact O-CG1 3.41Å; N102-V113 PolarHBondContact O-N 2.7Å; N102-V113 VanDerWaalsContact O-O 3.12Å; V113-Y394 HydrophobicContact CB-CE2 4.41Å; V113-Y394 HydrophobicContact CG1-CE1 4.05Å; V113-Y394 HydrophobicContact CG1-CE2 4.1Å; V113-Y394 VanDerWaalsContact CG1-OH 3.31Å; V113-Y394 WeakPolarHBondContact CG1-OH 3.36Å; V113-Y394 HydrophobicContact CG2-CD1 4.36Å; V113-Y394 HydrophobicContact CG2-CD2 3.85Å; V113-Y394 HydrophobicContact CG2-CE1 4.19Å; V113-Y394 HydrophobicContact CG2-CE2 3.67Å; V113-Y394 HydrophobicContact CG2-CG 4.19Å; V113-V397 HydrophobicContact CG2-CG2 4.07Å; V113-T398 WeakPolarHBondContact CG2-OG1 3.27Å
114	F	98.2	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.8	165.9	69.1	-89	0	0	0	113.5	A50 V51 Y90 I94 H100 C101 V116 L121 A124 L125 F128	A50-F114 CarbonylContact C-O 3.49Å; A50-F114 VanDerWaalsContact CA-O 3.26Å; A50-F114 WeakPolarHBondContact CA-O 3.38Å; V51-F114 HydrophobicContact CB-CD1 4.13Å; V51-F114 HydrophobicContact CB-CE1 3.53Å; V51-F114 HydrophobicContact CB-CE2 4.24Å; V51-F114 HydrophobicContact CB-CZ 3.59Å; V51-F114 HydrophobicContact CG1-CE1 4Å; V51-F114 HydrophobicContact CG1-CZ 4.34Å; V51-F114 HydrophobicContact CG2-CE1 4.03Å; V51-F114 HydrophobicContact CG2-CE2 4.05Å; V51-F114 HydrophobicContact CG2-CZ 3.54Å; V51-F114 PolarHBondContact N-O 2.85Å; V51-F114 PolarHBondContact O-N 2.89Å; Y90-F114 VanDerWaalsContact OH-CB 3.32Å; Y90-F114 WeakPolarHBondContact OH-CB 3.14Å; Y90-F114 VanDerWaalsContact OH-CD1 3.26Å; Y90-F114 WeakPolarHBondContact OH-CD1 3.34Å; I94-F114 HydrophobicContact CD1-CB 3.97Å; I94-F114 HydrophobicContact CD1-CD2 3.72Å; I94-F114 HydrophobicContact CD1-CE2 4.41Å; I94-F114 HydrophobicContact CD1-CG 3.91Å; H100-F114 CarbonylContact O-C 3.4Å; H100-F114 WeakPolarHBondContact O-CA 3.39Å; H100-F114 WeakPolarHBondContact O-CB 3.39Å; C101-F114 HydrophobicContact CB-CB 3.86Å; F114-V116 HydrophobicContact CD2-CG1 4.1Å; F114-V116 HydrophobicContact CD2-CG2 4.28Å; F114-V116 HydrophobicContact CE2-CG1 4.42Å; F114-V116 HydrophobicContact CE2-CG2 3.99Å; F114-L121 HydrophobicContact CE2-CD1 4.39Å; F114-A124 HydrophobicContact CD2-CB 4.19Å; F114-A124 HydrophobicContact CE2-CB 3.41Å; F114-A124 VanDerWaalsContact CE2-CB 3.41Å; F114-A124 HydrophobicContact CZ-CB 3.73Å; F114-L125 HydrophobicContact CZ-CD2 4.21Å; F114-L125 HydrophobicContact CZ-CG 4.44Å; F114-F128 HydrophobicContact CD1-CB 4.44Å; F114-F128 HydrophobicContact CD1-CD1 4.49Å; F114-F128 AromaticContact CD1-CD2 3.81Å; F114-F128 HydrophobicContact CD1-CD2 3.81Å; F114-F128 HydrophobicContact CD1-CE2 4.08Å; F114-F128 HydrophobicContact CD1-CG 4.02Å; F114-F128 HydrophobicContact CE1-CB 3.75Å; F114-F128 AromaticContact CE1-CD1 3.78Å; F114-F128 HydrophobicContact CE1-CD1 3.78Å; F114-F128 AromaticContact CE1-CD2 3.82Å; F114-F128 HydrophobicContact CE1-CD2 3.82Å; F114-F128 HydrophobicContact CE1-CE1 4.27Å; F114-F128 HydrophobicContact CE1-CE2 4.3Å; F114-F128 AromaticContact CE1-CG 3.51Å; F114-F128 HydrophobicContact CE1-CG 3.51Å; F114-F128 HydrophobicContact CZ-CB 4.47Å
115	D	96.7	Very high	96.3	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.064	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.7	159.2	73	-2.5	0	0	0	110.6	K48 S49 A50 G99 H100 Y394	K48-D115 HydrophobicContact CD-CB 4.2Å; K48-D115 WeakPolarHBondContact CD-OD2 3.17Å; K48-D115 IonicContact NZ-OD1 2.84Å; K48-D115 IonicContact NZ-OD2 2.64Å; K48-D115 PolarHBondContact NZ-OD2 3.39Å; S49-D115 CarbonylContact O-C 3.51Å; S49-D115 WeakPolarHBondContact O-CA 3.3Å; S49-D115 WeakPolarHBondContact O-CB 3.34Å; A50-D115 HydrophobicContact CB-CB 4.13Å; G99-D115 WeakPolarHBondContact CA-O 3.46Å; G99-D115 VanDerWaalsContact CA-OD1 3.3Å; G99-D115 WeakPolarHBondContact CA-OD1 3.37Å; H100-D115 IonicContact CG-OD1 2.88Å; H100-D115 PolarHBondContact N-O 3.42Å; H100-D115 PolarHBondContact N-OD1 3.45Å; H100-D115 IonicContact ND1-OD1 2.62Å; H100-D115 PolarHBondContact ND1-OD1 3.15Å; H100-D115 IonicContact ND1-OD2 3.14Å; H100-D115 PolarHBondContact O-N 2.78Å; D115-Y394 HydrophobicContact CB-CD2 4.03Å
116	V	95.2	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	165.7	175	-75.1	0	0	0	0	110.6	K48 S49 I94 F114 A124	K48-V116 CarbonylContact C-O 3.6Å; K48-V116 WeakPolarHBondContact CA-O 3.2Å; S49-V116 PolarHBondContact N-O 3.06Å; S49-V116 PolarHBondContact O-N 3.49Å; I94-V116 HydrophobicContact CD1-CG1 3.46Å; I94-V116 VanDerWaalsContact CD1-CG1 3.46Å; F114-V116 HydrophobicContact CD2-CG1 4.1Å; F114-V116 HydrophobicContact CD2-CG2 4.28Å; F114-V116 HydrophobicContact CE2-CG1 4.42Å; F114-V116 HydrophobicContact CE2-CG2 3.99Å; V116-A124 HydrophobicContact CG1-CB 4.09Å; V116-A124 HydrophobicContact CG2-CB 4.1Å
117	A	92.6	Very high	96.4	Very high	15 Å²	15	25.9 Å²	25.9	12%	0.124	13%	0.129	C	C	.	.			trans	-52.8	138.9	164.3	0	0	0	0	0	110.8	H97 E119 S120	H97-A117 WeakPolarHBondContact O-CB 3.45Å; H97-A117 PolarHBondContact O-N 3.47Å; A117-E119 VanDerWaalsContact C-N 3.33Å; A117-E119 PolarHBondContact O-N 3.05Å; A117-S120 WeakPolarHBondContact O-CB 3.11Å; A117-S120 PolarHBondContact O-N 2.83Å
118	P	93.5	Very high	96.5	Very high	10 Å²	10	24.5 Å²	24.5	7%	0.065	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-57.5	-39.7	-172	-29.1	36.2	0	0	0	115	T46 D47 S49 S120 L121 R224	T46-P118 HydrophobicContact CG2-CG 4.39Å; D47-P118 WeakPolarHBondContact O-CD 3.27Å; S49-P118 WeakPolarHBondContact OG-CA 3.35Å; P118-S120 PolarHBondContact O-N 3.44Å; P118-S120 VanDerWaalsContact O-N 3.09Å; P118-L121 WeakPolarHBondContact O-CB 3.45Å; P118-L121 PolarHBondContact O-N 2.92Å; P118-R224 HydrophobicContact CB-CB 4.43Å; P118-R224 HydrophobicContact CB-CG 3.82Å; P118-R224 HydrophobicContact CG-CG 4.17Å
119	E	93.1	Very high	96.6	Very high	167 Å²	167	23.6 Å²	23.6	78%	0.78	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-61.6	-20.3	178.3	-52.8	-67.4	170.1	0	0	112.8	A117	A117-E119 VanDerWaalsContact C-N 3.33Å; A117-E119 PolarHBondContact O-N 3.05Å
120	S	94.9	Very high	96.7	Very high	15 Å²	15	22.6 Å²	22.6	11%	0.105	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-100.8	-0.7	-174.2	-53.8	0	0	0	0	113.6	Y93 H97 A117 P118 R122 G123 A124	Y93-S120 PolarHBondContact OH-O 3.22Å; H97-S120 PolarHBondContact CD2-OG 3.42Å; A117-S120 WeakPolarHBondContact O-CB 3.11Å; A117-S120 PolarHBondContact O-N 2.83Å; P118-S120 PolarHBondContact O-N 3.44Å; P118-S120 VanDerWaalsContact O-N 3.09Å; S120-R122 VanDerWaalsContact C-N 3.33Å; S120-R122 PolarHBondContact O-N 2.99Å; S120-G123 PolarHBondContact O-N 3.44Å; S120-A124 PolarHBondContact O-N 3.06Å
121	L	97.1	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-54.5	-46.1	-177.7	176.1	59.3	0	0	0	112.2	V51 F114 P118 G123 A124 L125 I221 L230	V51-L121 HydrophobicContact CG2-CD1 3.69Å; F114-L121 HydrophobicContact CE2-CD1 4.39Å; P118-L121 WeakPolarHBondContact O-CB 3.45Å; P118-L121 PolarHBondContact O-N 2.92Å; L121-G123 PolarHBondContact O-N 2.8Å; L121-A124 PolarHBondContact O-N 2.85Å; L121-L125 HydrophobicContact CD1-CD1 4.04Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CG-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.16Å; L121-I221 HydrophobicContact CD2-CG2 4.26Å; L121-L230 HydrophobicContact CD2-CD2 4.22Å
122	R	96.9	Very high	96.6	Very high	144 Å²	144	22.8 Å²	22.8	54%	0.543	11%	0.113	S	C	.	.	H	α-helix	trans	-60	-48.4	-177.8	-176.8	174.8	-177.5	148.1	5.7	112.5	S120 A124 L125 D126 L233	S120-R122 VanDerWaalsContact C-N 3.33Å; S120-R122 PolarHBondContact O-N 2.99Å; R122-A124 VanDerWaalsContact C-N 3.33Å; R122-L125 PolarHBondContact O-N 3.5Å; R122-D126 PolarHBondContact O-N 3.27Å; R122-L233 HydrophobicContact CB-CD2 4.47Å; R122-L233 HydrophobicContact CG-CD2 4.06Å
123	G	96.3	Very high	96.5	Very high	17 Å²	17	24.7 Å²	24.7	18%	0.175	12%	0.124	C	C	.	.	H	α-helix	trans	-69.1	-31.8	178.9	0	0	0	0	0	112.7	Y93 S120 L121 D126 I127	Y93-G123 VanDerWaalsContact OH-CA 3.27Å; Y93-G123 WeakPolarHBondContact OH-CA 3.33Å; S120-G123 PolarHBondContact O-N 3.44Å; L121-G123 PolarHBondContact O-N 2.8Å; G123-D126 WeakPolarHBondContact O-CB 3.47Å; G123-D126 PolarHBondContact O-N 3.35Å; G123-I127 PolarHBondContact O-N 2.96Å
124	A	97.4	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-42.8	172	0	0	0	0	0	111.5	Y93 I94 F114 V116 S120 L121 R122 I127 F128	Y93-A124 HydrophobicContact CD1-CB 4.25Å; Y93-A124 HydrophobicContact CE1-CB 3.81Å; Y93-A124 VanDerWaalsContact CE1-N 3.34Å; I94-A124 HydrophobicContact CD1-CB 4.16Å; F114-A124 HydrophobicContact CD2-CB 4.19Å; F114-A124 HydrophobicContact CE2-CB 3.41Å; F114-A124 VanDerWaalsContact CE2-CB 3.41Å; F114-A124 HydrophobicContact CZ-CB 3.73Å; V116-A124 HydrophobicContact CG1-CB 4.09Å; V116-A124 HydrophobicContact CG2-CB 4.1Å; S120-A124 PolarHBondContact O-N 3.06Å; L121-A124 PolarHBondContact O-N 2.85Å; R122-A124 VanDerWaalsContact C-N 3.33Å; A124-I127 PolarHBondContact O-N 3.36Å; A124-F128 WeakPolarHBondContact O-CB 3.37Å; A124-F128 PolarHBondContact O-N 3.33Å
125	L	97.8	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-35.1	175.2	-77.3	175.3	0	0	0	113	V51 F114 L121 R122 I127 F128 S129 I221 L233 K237 F238	V51-L125 HydrophobicContact CB-CD2 4.47Å; V51-L125 HydrophobicContact CG1-CD2 4Å; V51-L125 HydrophobicContact CG2-CD2 3.9Å; V51-L125 HydrophobicContact CG2-CG 4.43Å; F114-L125 HydrophobicContact CZ-CD2 4.21Å; F114-L125 HydrophobicContact CZ-CG 4.44Å; L121-L125 HydrophobicContact CD1-CD1 4.04Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CG-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.16Å; R122-L125 PolarHBondContact O-N 3.5Å; L125-I127 VanDerWaalsContact C-N 3.28Å; L125-I127 PolarHBondContact O-N 2.8Å; L125-F128 HydrophobicContact CD2-CD1 4.5Å; L125-S129 VanDerWaalsContact O-CB 3.23Å; L125-S129 WeakPolarHBondContact O-CB 3.48Å; L125-S129 PolarHBondContact O-N 3.08Å; L125-S129 PolarHBondContact O-OG 3.07Å; L125-I221 HydrophobicContact CD1-CD1 4.35Å; L125-L233 HydrophobicContact CD1-CB 4.47Å; L125-K237 HydrophobicContact CB-CG 4.2Å; L125-F238 HydrophobicContact CD2-CE2 3.8Å; L125-F238 HydrophobicContact CD2-CZ 3.88Å
126	D	96.9	Very high	96	Very high	51 Å²	51	29.6 Å²	29.6	27%	0.273	15%	0.154	S	C	.	.	H	α-helix	trans	-56.9	-44.1	173.5	-75.4	-32.7	0	0	0	110.8	F84 R122 G123 S129 Q130 K237	F84-D126 WeakPolarHBondContact CE2-O 3.44Å; F84-D126 HydrophobicContact CZ-CB 4.38Å; R122-D126 PolarHBondContact O-N 3.27Å; G123-D126 WeakPolarHBondContact O-CB 3.47Å; G123-D126 PolarHBondContact O-N 3.35Å; D126-S129 PolarHBondContact O-OG 3.49Å; D126-Q130 VanDerWaalsContact O-CG 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.13Å; D126-K237 VanDerWaalsContact OD1-CD 3.31Å; D126-K237 WeakPolarHBondContact OD1-CD 3.38Å; D126-K237 WeakPolarHBondContact OD1-CE 3.3Å; D126-K237 IonicContact OD1-NZ 3.18Å; D126-K237 PolarHBondContact OD1-NZ 3.49Å
127	I	97.5	Very high	95.8	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-76	-49.3	178.8	-56.4	163.5	0	0	0	110.9	F84 T89 Y90 Y93 G123 A124 L125 S129 Q130	F84-I127 HydrophobicContact CD1-CG1 4.07Å; F84-I127 HydrophobicContact CD2-CB 4.26Å; F84-I127 HydrophobicContact CD2-CG1 4.12Å; F84-I127 HydrophobicContact CD2-CG2 4.17Å; F84-I127 HydrophobicContact CE1-CG1 3.87Å; F84-I127 HydrophobicContact CE2-CB 4.26Å; F84-I127 HydrophobicContact CE2-CG1 3.95Å; F84-I127 HydrophobicContact CG-CG1 4.18Å; F84-I127 HydrophobicContact CG-CG2 4.29Å; F84-I127 HydrophobicContact CZ-CG1 3.81Å; T89-I127 HydrophobicContact CG2-CD1 4.22Å; Y90-I127 HydrophobicContact CD2-CB 4.31Å; Y90-I127 HydrophobicContact CD2-CG2 3.77Å; Y90-I127 HydrophobicContact CG-CG2 4.32Å; Y93-I127 HydrophobicContact CD1-CD1 4.13Å; Y93-I127 HydrophobicContact CD2-CD1 3.77Å; Y93-I127 HydrophobicContact CE2-CD1 4.48Å; Y93-I127 HydrophobicContact CG-CD1 3.56Å; G123-I127 PolarHBondContact O-N 2.96Å; A124-I127 PolarHBondContact O-N 3.36Å; L125-I127 VanDerWaalsContact C-N 3.28Å; L125-I127 PolarHBondContact O-N 2.8Å; I127-S129 PolarHBondContact O-N 2.87Å; I127-Q130 WeakPolarHBondContact O-CB 3.48Å; I127-Q130 PolarHBondContact O-N 2.94Å
128	F	97.9	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-40.8	-173.8	-179.9	-106.4	0	0	0	113.2	V51 L53 Y90 F114 A124 L125 Q130 F131 F132 F238	V51-F128 HydrophobicContact CG1-CD1 4.34Å; V51-F128 HydrophobicContact CG1-CE1 3.97Å; L53-F128 HydrophobicContact CB-CE1 3.89Å; L53-F128 HydrophobicContact CB-CZ 3.9Å; Y90-F128 HydrophobicContact CE2-CB 4.12Å; Y90-F128 HydrophobicContact CE2-CD2 4.07Å; F114-F128 HydrophobicContact CD1-CB 4.44Å; F114-F128 HydrophobicContact CD1-CD1 4.49Å; F114-F128 AromaticContact CD1-CD2 3.81Å; F114-F128 HydrophobicContact CD1-CD2 3.81Å; F114-F128 HydrophobicContact CD1-CE2 4.08Å; F114-F128 HydrophobicContact CD1-CG 4.02Å; F114-F128 HydrophobicContact CE1-CB 3.75Å; F114-F128 AromaticContact CE1-CD1 3.78Å; F114-F128 HydrophobicContact CE1-CD1 3.78Å; F114-F128 AromaticContact CE1-CD2 3.82Å; F114-F128 HydrophobicContact CE1-CD2 3.82Å; F114-F128 HydrophobicContact CE1-CE1 4.27Å; F114-F128 HydrophobicContact CE1-CE2 4.3Å; F114-F128 AromaticContact CE1-CG 3.51Å; F114-F128 HydrophobicContact CE1-CG 3.51Å; F114-F128 HydrophobicContact CZ-CB 4.47Å; A124-F128 WeakPolarHBondContact O-CB 3.37Å; A124-F128 PolarHBondContact O-N 3.33Å; L125-F128 HydrophobicContact CD2-CD1 4.5Å; F128-Q130 PolarHBondContact O-N 3.41Å; F128-F131 HydrophobicContact CD2-CD2 4.49Å; F128-F131 VanDerWaalsContact O-CB 3.3Å; F128-F131 WeakPolarHBondContact O-CB 3.2Å; F128-F131 PolarHBondContact O-N 3.1Å; F128-F131 VanDerWaalsContact O-N 3.16Å; F128-F132 HydrophobicContact CD1-CE2 4.09Å; F128-F132 AromaticContact CE1-CE2 3.69Å; F128-F132 HydrophobicContact CE1-CE2 3.69Å; F128-F132 HydrophobicContact CE1-CZ 4.35Å; F128-F132 HydrophobicContact CE2-CE2 4.16Å; F128-F132 HydrophobicContact CE2-CZ 4.33Å; F128-F132 HydrophobicContact CG-CE2 4.5Å; F128-F132 AromaticContact CZ-CE2 3.73Å; F128-F132 HydrophobicContact CZ-CE2 3.73Å; F128-F132 AromaticContact CZ-CZ 3.97Å; F128-F132 HydrophobicContact CZ-CZ 3.97Å; F128-F238 HydrophobicContact CD1-CE1 4.26Å; F128-F238 AromaticContact CD1-CZ 3.96Å; F128-F238 HydrophobicContact CD1-CZ 3.96Å; F128-F238 HydrophobicContact CE1-CE1 4.34Å; F128-F238 HydrophobicContact CE1-CZ 4.21Å
129	S	97.6	Very high	95.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-57.4	-33.4	178.2	57.6	0	0	0	0	112.8	L125 D126 I127 F131 F132 V133 K237	L125-S129 VanDerWaalsContact O-CB 3.23Å; L125-S129 WeakPolarHBondContact O-CB 3.48Å; L125-S129 PolarHBondContact O-N 3.08Å; L125-S129 PolarHBondContact O-OG 3.07Å; D126-S129 PolarHBondContact O-OG 3.49Å; I127-S129 PolarHBondContact O-N 2.87Å; S129-F131 PolarHBondContact O-N 2.96Å; S129-F132 PolarHBondContact O-N 3.09Å; S129-V133 PolarHBondContact O-N 3.33Å; S129-K237 VanDerWaalsContact CB-O 3.28Å; S129-K237 WeakPolarHBondContact CB-O 3.4Å
130	Q	97.8	Very high	95.2	Very high	28 Å²	28	30.6 Å²	30.6	13%	0.131	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-68.8	-18.6	-176.3	-58.3	-61.7	-63.3	0	0	113.1	T81 S83 F84 D126 I127 F128 F132 V133 C134	T81-Q130 HydrophobicContact CG2-CB 3.77Å; T81-Q130 WeakPolarHBondContact OG1-CB 3.41Å; S83-Q130 PolarHBondContact OG-OE1 2.94Å; F84-Q130 HydrophobicContact CD2-CG 4.05Å; F84-Q130 HydrophobicContact CE2-CG 3.96Å; D126-Q130 VanDerWaalsContact O-CG 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.13Å; I127-Q130 WeakPolarHBondContact O-CB 3.48Å; I127-Q130 PolarHBondContact O-N 2.94Å; F128-Q130 PolarHBondContact O-N 3.41Å; Q130-F132 PolarHBondContact O-N 3.08Å; Q130-V133 PolarHBondContact O-N 3.35Å; Q130-C134 PolarHBondContact O-N 3.48Å
131	F	97.6	Very high	94.9	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.013	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57.9	-33.3	171.6	-74.2	23.4	0	0	0	110.7	L77 F78 T81 Y90 Y112 F128 S129 Y208	L77-F131 HydrophobicContact CB-CB 4.32Å; L77-F131 HydrophobicContact CB-CD2 3.76Å; L77-F131 HydrophobicContact CB-CE2 4.27Å; L77-F131 HydrophobicContact CB-CG 4.12Å; L77-F131 HydrophobicContact CD1-CB 4.2Å; L77-F131 WeakPolarHBondContact O-CD1 3.47Å; L77-F131 VanDerWaalsContact O-CE1 3.28Å; L77-F131 WeakPolarHBondContact O-CE1 3.41Å; L77-F131 WeakPolarHBondContact O-CZ 3.41Å; F78-F131 HydrophobicContact CD1-CE2 4.18Å; F78-F131 HydrophobicContact CD1-CZ 4.3Å; F78-F131 HydrophobicContact CD2-CE2 4.4Å; F78-F131 HydrophobicContact CE1-CE2 4.35Å; F78-F131 HydrophobicContact CG-CE2 4.2Å; F78-F131 HydrophobicContact CG-CZ 4.42Å; T81-F131 HydrophobicContact CG2-CD1 3.87Å; T81-F131 HydrophobicContact CG2-CE1 4.4Å; Y90-F131 HydrophobicContact CD1-CE2 4.43Å; Y90-F131 AromaticContact CD1-CZ 3.75Å; Y90-F131 HydrophobicContact CD1-CZ 3.75Å; Y90-F131 HydrophobicContact CD2-CE1 4.33Å; Y90-F131 HydrophobicContact CD2-CZ 4.05Å; Y90-F131 HydrophobicContact CE1-CE2 4.4Å; Y90-F131 HydrophobicContact CE1-CZ 4.12Å; Y90-F131 HydrophobicContact CE2-CZ 4.41Å; Y90-F131 HydrophobicContact CG-CE1 4.19Å; Y90-F131 AromaticContact CG-CZ 3.68Å; Y90-F131 HydrophobicContact CG-CZ 3.68Å; Y112-F131 HydrophobicContact CD1-CD2 4.44Å; F128-F131 HydrophobicContact CD2-CD2 4.49Å; F128-F131 VanDerWaalsContact O-CB 3.3Å; F128-F131 WeakPolarHBondContact O-CB 3.2Å; F128-F131 PolarHBondContact O-N 3.1Å; F128-F131 VanDerWaalsContact O-N 3.16Å; S129-F131 PolarHBondContact O-N 2.96Å; F131-Y208 WeakPolarHBondContact O-CE2 3.33Å; F131-Y208 PolarHBondContact O-OH 3.18Å
132	F	97.7	Very high	94.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-101.7	-1	-175.2	-47.4	-72.8	0	0	0	113.2	L53 V55 L77 Y112 F128 S129 Q130 Y208 Y212 M217 F238 V241	L53-F132 HydrophobicContact CB-CE2 4.23Å; L53-F132 HydrophobicContact CB-CZ 4.08Å; L53-F132 HydrophobicContact CD1-CD1 4.38Å; L53-F132 HydrophobicContact CD1-CD2 3.76Å; L53-F132 HydrophobicContact CD1-CE1 4.38Å; L53-F132 HydrophobicContact CD1-CE2 3.75Å; L53-F132 HydrophobicContact CD1-CG 4.09Å; L53-F132 HydrophobicContact CD1-CZ 4.06Å; L53-F132 HydrophobicContact CD2-CD1 4.01Å; L53-F132 HydrophobicContact CD2-CE1 3.59Å; L53-F132 HydrophobicContact CD2-CE2 4.31Å; L53-F132 HydrophobicContact CD2-CZ 3.76Å; L53-F132 HydrophobicContact CG-CE1 4.45Å; L53-F132 HydrophobicContact CG-CE2 4.31Å; L53-F132 HydrophobicContact CG-CZ 4.18Å; V55-F132 HydrophobicContact CG2-CE1 4.42Å; L77-F132 HydrophobicContact CD1-CE1 4.41Å; Y112-F132 AromaticContact CD2-CE1 3.77Å; Y112-F132 HydrophobicContact CD2-CE1 3.77Å; Y112-F132 AromaticContact CD2-CZ 3.75Å; Y112-F132 HydrophobicContact CD2-CZ 3.75Å; Y112-F132 AromaticContact CE2-CE1 3.9Å; Y112-F132 HydrophobicContact CE2-CE1 3.9Å; Y112-F132 HydrophobicContact CE2-CZ 4.31Å; Y112-F132 HydrophobicContact CG-CE1 4.46Å; Y112-F132 HydrophobicContact CG-CZ 4.05Å; F128-F132 HydrophobicContact CD1-CE2 4.09Å; F128-F132 AromaticContact CE1-CE2 3.69Å; F128-F132 HydrophobicContact CE1-CE2 3.69Å; F128-F132 HydrophobicContact CE1-CZ 4.35Å; F128-F132 HydrophobicContact CE2-CE2 4.16Å; F128-F132 HydrophobicContact CE2-CZ 4.33Å; F128-F132 HydrophobicContact CG-CE2 4.5Å; F128-F132 AromaticContact CZ-CE2 3.73Å; F128-F132 HydrophobicContact CZ-CE2 3.73Å; F128-F132 AromaticContact CZ-CZ 3.97Å; F128-F132 HydrophobicContact CZ-CZ 3.97Å; S129-F132 PolarHBondContact O-N 3.09Å; Q130-F132 PolarHBondContact O-N 3.08Å; F132-Y208 WeakPolarHBondContact CA-OH 3.34Å; F132-Y208 PolarHBondContact O-OH 3.37Å; F132-Y212 HydrophobicContact CD1-CD1 4.12Å; F132-Y212 HydrophobicContact CD1-CE1 4.38Å; F132-Y212 HydrophobicContact CE1-CE1 4.36Å; F132-M217 HydrophobicContact CB-CE 4.45Å; F132-M217 HydrophobicContact CD1-CE 4.13Å; F132-F238 HydrophobicContact CD2-CE1 4.31Å; F132-V241 HydrophobicContact CB-CG1 4.27Å; F132-V241 HydrophobicContact CB-CG2 3.85Å
133	V	95.8	Very high	93.7	Very high	40 Å²	40	29.6 Å²	29.6	24%	0.242	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-62	178.1	-179.2	0	0	0	0	110.9	S129 Q130 Y208 E240 V241	S129-V133 PolarHBondContact O-N 3.33Å; Q130-V133 PolarHBondContact O-N 3.35Å; V133-Y208 PolarHBondContact N-OH 3.47Å; V133-E240 HydrophobicContact CG2-CB 4.25Å; V133-V241 HydrophobicContact CG2-CG2 4.23Å
134	C	92.9	Very high	93.3	Very high	51 Å²	51	31.8 Å²	31.8	35%	0.345	17%	0.172	S	C	.	.			trans	-150.2	70	-171.6	-159.8	0	0	0	0	113.1	K82 Q130	K82-C134 HydrophobicContact CB-CB 4.09Å; K82-C134 PolarHBondContact N-O 3.33Å; Q130-C134 PolarHBondContact O-N 3.48Å
135	P	95.1	Very high	92.9	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.091	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-66.3	147.6	171.2	29.2	-36.5	0	0	0	112	L77 F137 Y208	L77-P135 HydrophobicContact CD2-CB 3.52Å; L77-P135 HydrophobicContact CD2-CG 3.74Å; P135-F137 HydrophobicContact CB-CD2 4.11Å; P135-F137 HydrophobicContact CB-CE1 4.48Å; P135-F137 HydrophobicContact CB-CE2 3.78Å; P135-F137 HydrophobicContact CB-CZ 3.98Å; P135-F137 HydrophobicContact CG-CD2 3.96Å; P135-F137 HydrophobicContact CG-CE2 3.32Å; P135-F137 HydrophobicContact CG-CZ 3.78Å; P135-Y208 WeakPolarHBondContact CD-OH 3.5Å; P135-Y208 HydrophobicContact CG-CD1 4.29Å; P135-Y208 HydrophobicContact CG-CD2 4.15Å; P135-Y208 HydrophobicContact CG-CE1 3.88Å; P135-Y208 HydrophobicContact CG-CE2 3.71Å; P135-Y208 HydrophobicContact CG-CG 4.42Å
136	L	93.6	Very high	92.5	Very high	53 Å²	53	32.7 Å²	32.7	28%	0.277	18%	0.176	S	C	.	.			trans	-81.9	-38	-176.1	-71.9	176	0	0	0	113.6	G80 T81 K82 P85 T138 R201	G80-L136 PolarHBondContact O-N 2.95Å; G80-L136 VanDerWaalsContact O-N 3.15Å; T81-L136 WeakPolarHBondContact O-CD1 3.38Å; K82-L136 HydrophobicContact CB-CD2 4.46Å; P85-L136 HydrophobicContact CB-CD1 3.91Å; L136-T138 HydrophobicContact CB-CG2 3.89Å; L136-T138 HydrophobicContact CD1-CG2 4.33Å; L136-T138 PolarHBondContact O-N 3.21Å; L136-R201 PolarHBondContact O-NH2 2.92Å
137	F	92.7	Very high	92	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.173	C	C	.	.			trans	45.5	58.4	-171.8	-62.4	-61.7	0	0	0	111.4	M76 L77 P135 R201 L204 L205 Y208	M76-F137 HydrophobicContact CB-CD1 3.54Å; M76-F137 HydrophobicContact CB-CE1 3.53Å; M76-F137 HydrophobicContact CE-CB 4.48Å; M76-F137 HydrophobicContact CE-CD1 4.17Å; M76-F137 HydrophobicContact CG-CD1 4.37Å; L77-F137 HydrophobicContact CD2-CE1 3.87Å; L77-F137 HydrophobicContact CD2-CE2 4.41Å; L77-F137 HydrophobicContact CD2-CZ 3.49Å; L77-F137 VanDerWaalsContact CD2-CZ 3.49Å; P135-F137 HydrophobicContact CB-CD2 4.11Å; P135-F137 HydrophobicContact CB-CE1 4.48Å; P135-F137 HydrophobicContact CB-CE2 3.78Å; P135-F137 HydrophobicContact CB-CZ 3.98Å; P135-F137 HydrophobicContact CG-CD2 3.96Å; P135-F137 HydrophobicContact CG-CE2 3.32Å; P135-F137 HydrophobicContact CG-CZ 3.78Å; F137-R201 PolarHBondContact O-NE 3.41Å; F137-R201 PolarHBondContact O-NH2 2.79Å; F137-R201 VanDerWaalsContact O-NH2 3.14Å; F137-L204 HydrophobicContact CB-CD2 4.32Å; F137-L204 HydrophobicContact CD1-CD1 4.49Å; F137-L204 HydrophobicContact CD1-CD2 3.39Å; F137-L204 HydrophobicContact CD1-CG 3.88Å; F137-L204 HydrophobicContact CE1-CD1 4.1Å; F137-L204 HydrophobicContact CE1-CD2 3.8Å; F137-L204 HydrophobicContact CE1-CG 3.94Å; F137-L204 HydrophobicContact CG-CD2 3.97Å; F137-L204 HydrophobicContact CG-CG 4.25Å; F137-L204 HydrophobicContact CZ-CD1 4.39Å; F137-L204 HydrophobicContact CZ-CG 4.32Å; F137-L205 HydrophobicContact CB-CD2 4.49Å; F137-L205 HydrophobicContact CD2-CD2 3.62Å; F137-L205 HydrophobicContact CD2-CG 4.32Å; F137-L205 HydrophobicContact CE2-CD2 4.37Å; F137-L205 HydrophobicContact CG-CD2 4.47Å; F137-Y208 HydrophobicContact CE2-CD1 4.43Å; F137-Y208 HydrophobicContact CE2-CD2 4.08Å; F137-Y208 AromaticContact CE2-CG 3.91Å; F137-Y208 HydrophobicContact CE2-CG 3.91Å; F137-Y208 AromaticContact CZ-CD2 3.94Å; F137-Y208 HydrophobicContact CZ-CD2 3.94Å; F137-Y208 HydrophobicContact CZ-CG 4.18Å
138	T	90.8	Very high	91.4	Very high	43 Å²	43	31.3 Å²	31.3	26%	0.264	17%	0.172	S	C	.	.			trans	-65.8	151	-174.1	74.8	0	0	0	0	111.6	L136 S140 A141 T142	L136-T138 HydrophobicContact CB-CG2 3.89Å; L136-T138 HydrophobicContact CD1-CG2 4.33Å; L136-T138 PolarHBondContact O-N 3.21Å; T138-S140 VanDerWaalsContact C-N 3.31Å; T138-S140 PolarHBondContact O-N 2.91Å; T138-A141 PolarHBondContact O-N 3.42Å; T138-A141 WeakPolarHBondContact OG1-CB 3.48Å; T138-A141 PolarHBondContact OG1-N 3.18Å; T138-T142 WeakPolarHBondContact O-CB 3.35Å; T138-T142 PolarHBondContact O-N 3.4Å; T138-T142 PolarHBondContact O-OG1 2.95Å
139	D	87.3	Confident	91	Very high	103 Å²	103	31.4 Å²	31.4	55%	0.551	17%	0.172	S	C	*	.	H	α-helix	trans	-57.7	-45	177.4	-67.2	-46.2	0	0	0	111.1	A141 T142 E143 R201	D139-A141 VanDerWaalsContact C-N 3.34Å; D139-A141 PolarHBondContact O-N 3.34Å; D139-T142 WeakPolarHBondContact O-CB 3.29Å; D139-T142 PolarHBondContact O-N 2.98Å; D139-E143 PolarHBondContact O-N 3.43Å; D139-R201 WeakPolarHBondContact OD1-CD 3.34Å; D139-R201 IonicContact OD1-NE 3.96Å; D139-R201 PolarHBondContact OD1-NE 3.22Å
140	S	88.4	Confident	90.6	Very high	65 Å²	65	33.3 Å²	33.3	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-64.4	-36.5	-178.5	84.7	0	0	0	0	113.5	T138 R144	T138-S140 VanDerWaalsContact C-N 3.31Å; T138-S140 PolarHBondContact O-N 2.91Å; S140-R144 PolarHBondContact O-N 3.3Å; S140-R144 PolarHBondContact O-NE 3.4Å; S140-R144 PolarHBondContact OG-NH2 3.4Å
141	A	87.5	Confident	89.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71	-40.4	177	0	0	0	0	0	110.1	M76 L79 T138 D139 E143 R144 E145	M76-A141 HydrophobicContact CE-CB 3.85Å; M76-A141 HydrophobicContact SD-CB 4.49Å; L79-A141 HydrophobicContact CB-CB 4.12Å; L79-A141 HydrophobicContact CD1-CB 3.83Å; T138-A141 PolarHBondContact O-N 3.42Å; T138-A141 WeakPolarHBondContact OG1-CB 3.48Å; T138-A141 PolarHBondContact OG1-N 3.18Å; D139-A141 VanDerWaalsContact C-N 3.34Å; D139-A141 PolarHBondContact O-N 3.34Å; A141-E143 VanDerWaalsContact C-N 3.35Å; A141-E143 PolarHBondContact O-N 2.84Å; A141-R144 PolarHBondContact O-N 3.3Å; A141-E145 WeakPolarHBondContact O-CB 3.21Å; A141-E145 PolarHBondContact O-N 2.84Å
142	T	85.9	Confident	89.4	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-42.8	178.5	-62.2	0	0	0	0	111.4	F72 M76 T138 D139 F190	F72-T142 HydrophobicContact CE1-CG2 3.96Å; F72-T142 HydrophobicContact CZ-CG2 3.9Å; F72-T142 WeakPolarHBondContact CZ-O 3.39Å; M76-T142 WeakPolarHBondContact CE-OG1 3.39Å; T138-T142 WeakPolarHBondContact O-CB 3.35Å; T138-T142 PolarHBondContact O-N 3.4Å; T138-T142 PolarHBondContact O-OG1 2.95Å; D139-T142 WeakPolarHBondContact O-CB 3.29Å; D139-T142 PolarHBondContact O-N 2.98Å; T142-F190 HydrophobicContact CG2-CE1 4.21Å; T142-F190 HydrophobicContact CG2-CZ 3.7Å
143	E	83.8	Confident	89.1	Confident	134 Å²	134	34.8 Å²	34.8	63%	0.626	19%	0.191	S	C	*	.	H	α-helix	trans	-71.7	-33.6	177.5	-71.2	-176.8	174.3	0	0	114	D139 A141 V146	D139-E143 PolarHBondContact O-N 3.43Å; A141-E143 VanDerWaalsContact C-N 3.35Å; A141-E143 PolarHBondContact O-N 2.84Å; E143-V146 WeakPolarHBondContact O-CG1 3.45Å
144	R	87	Confident	88.5	Confident	63 Å²	63	35.4 Å²	35.4	24%	0.238	19%	0.191	C	C	.	.	H	α-helix	trans	-74.4	-49	176.9	-80.4	-176.8	-69.6	124.3	0.7	111.6	E87 S140 A141 V146 S147	E87-R144 IonicContact OE1-CZ 3.34Å; E87-R144 IonicContact OE1-NH2 3.69Å; E87-R144 PolarHBondContact OE1-NH2 3.22Å; E87-R144 IonicContact OE2-CZ 3Å; E87-R144 VanDerWaalsContact OE2-CZ 3.26Å; E87-R144 IonicContact OE2-NH1 2.89Å; E87-R144 PolarHBondContact OE2-NH1 3.35Å; E87-R144 IonicContact OE2-NH2 3.72Å; E87-R144 PolarHBondContact OE2-NH2 3.17Å; S140-R144 PolarHBondContact O-N 3.3Å; S140-R144 PolarHBondContact O-NE 3.4Å; S140-R144 PolarHBondContact OG-NH2 3.4Å; A141-R144 PolarHBondContact O-N 3.3Å; R144-V146 VanDerWaalsContact C-N 3.31Å; R144-V146 PolarHBondContact O-N 3.35Å; R144-S147 WeakPolarHBondContact O-CB 3.43Å; R144-S147 PolarHBondContact O-N 3.07Å; R144-S147 PolarHBondContact O-OG 2.99Å; R144-S147 VanDerWaalsContact O-OG 3.07Å
145	E	89.2	Confident	88	Confident	18 Å²	18	35.2 Å²	35.2	8%	0.084	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-25.1	-167.4	-166.4	58.5	-156.4	0	0	113.4	F72 H75 M76 L79 A141 S147 A148 V149	F72-E145 HydrophobicContact CE2-CB 4.09Å; F72-E145 HydrophobicContact CE2-CG 4.33Å; H75-E145 HydrophobicContact CB-CG 3.77Å; H75-E145 IonicContact CE1-OE1 3.64Å; H75-E145 IonicContact CG-OE1 2.94Å; H75-E145 IonicContact ND1-OE1 3.78Å; H75-E145 PolarHBondContact ND1-OE1 2.91Å; M76-E145 HydrophobicContact SD-CB 3.91Å; M76-E145 HydrophobicContact SD-CG 4.27Å; L79-E145 HydrophobicContact CD1-CB 3.79Å; L79-E145 HydrophobicContact CD1-CG 3.8Å; A141-E145 WeakPolarHBondContact O-CB 3.21Å; A141-E145 PolarHBondContact O-N 2.84Å; E145-S147 PolarHBondContact O-N 3.16Å; E145-S147 VanDerWaalsContact O-N 3.13Å; E145-A148 WeakPolarHBondContact O-CB 3.5Å; E145-A148 PolarHBondContact O-N 3.49Å; E145-A148 WeakPolarHBondContact OE1-CB 3.32Å; E145-V149 PolarHBondContact O-N 3.05Å
146	V	89.2	Confident	87.6	Confident	1 Å²	1	35 Å²	35	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-25.4	169.7	58.7	0	0	0	0	112.6	F72 E143 R144 A148 V149 Q150 R186 F190	F72-V146 HydrophobicContact CE2-CB 4.38Å; F72-V146 HydrophobicContact CZ-CB 4.47Å; E143-V146 WeakPolarHBondContact O-CG1 3.45Å; R144-V146 VanDerWaalsContact C-N 3.31Å; R144-V146 PolarHBondContact O-N 3.35Å; V146-A148 VanDerWaalsContact C-N 3.35Å; V146-V149 PolarHBondContact O-N 3.1Å; V146-Q150 WeakPolarHBondContact O-CB 3.37Å; V146-Q150 PolarHBondContact O-N 3.35Å; V146-R186 HydrophobicContact CG2-CB 4.06Å; V146-R186 HydrophobicContact CG2-CG 4.08Å; V146-F190 HydrophobicContact CB-CD2 4.05Å; V146-F190 HydrophobicContact CB-CE2 3.6Å; V146-F190 HydrophobicContact CB-CZ 4.37Å; V146-F190 HydrophobicContact CG1-CD2 4.26Å; V146-F190 HydrophobicContact CG1-CE2 3.93Å; V146-F190 HydrophobicContact CG1-CZ 4.36Å; V146-F190 HydrophobicContact CG2-CD2 3.58Å; V146-F190 HydrophobicContact CG2-CE2 3.62Å
147	S	86.6	Confident	87.3	Confident	29 Å²	29	33.9 Å²	33.9	20%	0.203	18%	0.179	C	C	.	.	H	α-helix	trans	-71	-31.7	175.1	-45.8	0	0	0	0	112.2	R144 E145 S151 R186	R144-S147 WeakPolarHBondContact O-CB 3.43Å; R144-S147 PolarHBondContact O-N 3.07Å; R144-S147 PolarHBondContact O-OG 2.99Å; R144-S147 VanDerWaalsContact O-OG 3.07Å; E145-S147 PolarHBondContact O-N 3.16Å; E145-S147 VanDerWaalsContact O-N 3.13Å; S147-S151 WeakPolarHBondContact O-CB 3.4Å; S147-S151 PolarHBondContact O-N 3.45Å; S147-S151 PolarHBondContact O-OG 2.98Å; S147-R186 PolarHBondContact OG-NH1 3.44Å; S147-R186 PolarHBondContact OG-NH2 2.67Å
148	A	85.1	Confident	86.8	Confident	3 Å²	3	34.4 Å²	34.4	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-45.3	171.6	0	0	0	0	0	110.9	E145 V146 Q150 S151 E152	E145-A148 WeakPolarHBondContact O-CB 3.5Å; E145-A148 PolarHBondContact O-N 3.49Å; E145-A148 WeakPolarHBondContact OE1-CB 3.32Å; V146-A148 VanDerWaalsContact C-N 3.35Å; A148-Q150 VanDerWaalsContact C-N 3.34Å; A148-Q150 PolarHBondContact O-N 2.92Å; A148-S151 PolarHBondContact O-N 2.89Å; A148-E152 PolarHBondContact O-N 3.06Å
149	V	89.2	Confident	86.7	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-42.4	175	179.2	0	0	0	0	111.4	F72 E145 V146 E152 H153 L189	F72-V149 HydrophobicContact CD2-CG2 3.96Å; E145-V149 PolarHBondContact O-N 3.05Å; V146-V149 PolarHBondContact O-N 3.1Å; V149-E152 PolarHBondContact O-N 3.41Å; V149-H153 PolarHBondContact O-N 3.24Å; V149-L189 HydrophobicContact CG1-CD1 4.26Å
150	Q	90	Very high	86.9	Confident	41 Å²	41	31.4 Å²	31.4	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-48	173.9	177.3	61.5	30.6	0	0	111.9	V146 A148 E152 H153 E154 R186	V146-Q150 WeakPolarHBondContact O-CB 3.37Å; V146-Q150 PolarHBondContact O-N 3.35Å; A148-Q150 VanDerWaalsContact C-N 3.34Å; A148-Q150 PolarHBondContact O-N 2.92Å; Q150-E152 VanDerWaalsContact C-N 3.26Å; Q150-E152 PolarHBondContact O-N 3.34Å; Q150-H153 PolarHBondContact O-N 2.83Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.45Å; Q150-E154 PolarHBondContact NE2-OE1 3.08Å; Q150-E154 WeakPolarHBondContact O-CG 3.41Å; Q150-E154 PolarHBondContact O-N 3.29Å; Q150-R186 HydrophobicContact CB-CB 4.25Å; Q150-R186 HydrophobicContact CG-CB 4.38Å
151	S	82.7	Confident	87.2	Confident	26 Å²	26	32 Å²	32	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-34.1	179.4	-62.4	0	0	0	0	112.1	S147 A148 K155	S147-S151 WeakPolarHBondContact O-CB 3.4Å; S147-S151 PolarHBondContact O-N 3.45Å; S147-S151 PolarHBondContact O-OG 2.98Å; A148-S151 PolarHBondContact O-N 2.89Å; S151-K155 WeakPolarHBondContact O-CB 3.46Å; S151-K155 PolarHBondContact O-N 3.23Å; S151-K155 VanDerWaalsContact O-N 3.08Å
152	E	87.8	Confident	87.4	Confident	26 Å²	26	37.2 Å²	37.2	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-45.3	173.4	-179.5	160.6	-169	0	0	112	H71 H75 A148 V149 Q150 E154 K155 D156 Y821	H71-E152 IonicContact CE1-OE2 2.67Å; H71-E152 IonicContact NE2-OE2 3.69Å; H75-E152 IonicContact NE2-OE2 2.79Å; A148-E152 PolarHBondContact O-N 3.06Å; V149-E152 PolarHBondContact O-N 3.41Å; Q150-E152 VanDerWaalsContact C-N 3.26Å; Q150-E152 PolarHBondContact O-N 3.34Å; E152-E154 PolarHBondContact O-N 3.17Å; E152-K155 WeakPolarHBondContact O-CB 3.5Å; E152-K155 PolarHBondContact O-N 2.96Å; E152-D156 PolarHBondContact O-N 3.19Å; E152-Y821 HydrophobicContact CB-CD2 3.88Å; E152-Y821 HydrophobicContact CB-CE2 3.87Å; E152-Y821 HydrophobicContact CB-CG 4.38Å; E152-Y821 HydrophobicContact CG-CE2 4.19Å; E152-Y821 WeakPolarHBondContact OE2-CE2 3.25Å; E152-Y821 PolarHBondContact OE2-OH 2.82Å
153	H	89.9	Confident	87.9	Confident	11 Å²	11	38 Å²	38	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-40.9	175.2	173.4	56.2	0	0	0	112.5	V149 Q150 K155 D156 S157 F181 N185 W458 Y459	V149-H153 PolarHBondContact O-N 3.24Å; Q150-H153 PolarHBondContact O-N 2.83Å; H153-K155 PolarHBondContact O-N 3.4Å; H153-D156 CarbonylContact O-C 3.54Å; H153-D156 PolarHBondContact O-N 3.09Å; H153-S157 WeakPolarHBondContact O-CB 3.38Å; H153-S157 PolarHBondContact O-N 2.91Å; H153-S157 PolarHBondContact O-OG 3.35Å; H153-F181 AromaticContact CE1-CZ 3.74Å; H153-F181 AromaticContact ND1-CZ 3.6Å; H153-N185 HydrophobicContact CB-CB 4.08Å; H153-N185 PolarHBondContact CD2-ND2 3.11Å; H153-N185 PolarHBondContact NE2-ND2 3.39Å; H153-W458 PolarHBondContact CE1-O 2.76Å; H153-Y459 AromaticContact ND1-CZ 3.87Å
154	E	84.4	Confident	88.5	Confident	53 Å²	53	32.7 Å²	32.7	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-42.2	175.5	-74.9	170.3	-169.9	0	0	112	Q150 E152 D156 S157	Q150-E154 WeakPolarHBondContact CG-OE1 3.45Å; Q150-E154 PolarHBondContact NE2-OE1 3.08Å; Q150-E154 WeakPolarHBondContact O-CG 3.41Å; Q150-E154 PolarHBondContact O-N 3.29Å; E152-E154 PolarHBondContact O-N 3.17Å; E154-D156 VanDerWaalsContact C-N 3.35Å; E154-S157 WeakPolarHBondContact O-CB 3.43Å; E154-S157 PolarHBondContact O-N 3.41Å
155	K	81.6	Confident	88.9	Confident	47 Å²	47	34.2 Å²	34.2	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-43	173.6	176.6	-149.3	62.9	163.1	0	111.1	S151 E152 H153 S157 S158 Y821 I822	S151-K155 WeakPolarHBondContact O-CB 3.46Å; S151-K155 PolarHBondContact O-N 3.23Å; S151-K155 VanDerWaalsContact O-N 3.08Å; E152-K155 WeakPolarHBondContact O-CB 3.5Å; E152-K155 PolarHBondContact O-N 2.96Å; H153-K155 PolarHBondContact O-N 3.4Å; K155-S157 VanDerWaalsContact C-N 3.29Å; K155-S157 PolarHBondContact O-N 3Å; K155-S158 PolarHBondContact O-OG 3.48Å; K155-Y821 HydrophobicContact CD-CD1 4.3Å; K155-I822 HydrophobicContact CD-CD1 4.16Å; K155-I822 HydrophobicContact CG-CD1 4.45Å
156	D	87	Confident	89.3	Confident	11 Å²	11	33.4 Å²	33.4	6%	0.059	17%	0.169	C	C	.	.	H	α-helix	trans	-74.1	-19.4	179.2	-83.8	15	0	0	0	112.5	E152 H153 E154 S158 N159 R162 Y459	E152-D156 PolarHBondContact O-N 3.19Å; H153-D156 CarbonylContact O-C 3.54Å; H153-D156 PolarHBondContact O-N 3.09Å; E154-D156 VanDerWaalsContact C-N 3.35Å; D156-S158 PolarHBondContact O-N 3.5Å; D156-N159 VanDerWaalsContact O-CB 3.28Å; D156-N159 WeakPolarHBondContact O-CB 3.49Å; D156-N159 PolarHBondContact O-N 3.4Å; D156-R162 HydrophobicContact CB-CG 4.1Å; D156-R162 IonicContact OD2-CZ 3.12Å; D156-R162 IonicContact OD2-NE 2.66Å; D156-R162 PolarHBondContact OD2-NE 3.45Å; D156-R162 IonicContact OD2-NH2 2.99Å; D156-Y459 HydrophobicContact CB-CE1 4.34Å; D156-Y459 WeakPolarHBondContact O-CE1 3.18Å
157	S	86.4	Confident	89.7	Confident	29 Å²	29	33.3 Å²	33.3	20%	0.203	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-28.3	179.7	-66.9	0	0	0	0	113.4	H153 E154 K155 N159 R163	H153-S157 WeakPolarHBondContact O-CB 3.38Å; H153-S157 PolarHBondContact O-N 2.91Å; H153-S157 PolarHBondContact O-OG 3.35Å; E154-S157 WeakPolarHBondContact O-CB 3.43Å; E154-S157 PolarHBondContact O-N 3.41Å; K155-S157 VanDerWaalsContact C-N 3.29Å; K155-S157 PolarHBondContact O-N 3Å; S157-N159 VanDerWaalsContact C-N 3.32Å; S157-R163 PolarHBondContact O-NH1 2.9Å
158	S	82.1	Confident	90.1	Very high	13 Å²	13	32.8 Å²	32.8	9%	0.091	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.9	173.7	55	0	0	0	0	114.9	K155 D156 Q776	K155-S158 PolarHBondContact O-OG 3.48Å; D156-S158 PolarHBondContact O-N 3.5Å; S158-Q776 PolarHBondContact OG-OE1 3.28Å
159	N	88.5	Confident	90.6	Very high	64 Å²	64	34 Å²	34	34%	0.342	17%	0.167	S	C	.	.			trans	-103.5	110	-176.8	-174.4	-42.3	0	0	0	111.6	D156 S157 T161 R162 R163	D156-N159 VanDerWaalsContact O-CB 3.28Å; D156-N159 WeakPolarHBondContact O-CB 3.49Å; D156-N159 PolarHBondContact O-N 3.4Å; S157-N159 VanDerWaalsContact C-N 3.32Å; N159-T161 VanDerWaalsContact C-N 3.25Å; N159-T161 PolarHBondContact O-N 2.84Å; N159-T161 VanDerWaalsContact OD1-CB 3.3Å; N159-T161 WeakPolarHBondContact OD1-CB 3.48Å; N159-T161 PolarHBondContact OD1-N 3.42Å; N159-R162 HydrophobicContact CB-CB 4.14Å; N159-R162 HydrophobicContact CB-CG 3.97Å; N159-R162 PolarHBondContact O-N 3.04Å; N159-R162 VanDerWaalsContact O-N 3.09Å; N159-R162 PolarHBondContact OD1-N 3.04Å; N159-R163 VanDerWaalsContact O-CG 3.28Å; N159-R163 WeakPolarHBondContact O-CG 3.4Å; N159-R163 PolarHBondContact O-N 2.94Å
160	D	92.8	Very high	90.9	Very high	19 Å²	19	36.3 Å²	36.3	10%	0.102	18%	0.179	C	C	.	.	H	α-helix	trans	-56.3	-34	-179.7	-76.6	-51.4	0	0	0	114.2	R163 L164 P269 L270 N271 I273	D160-R163 WeakPolarHBondContact O-CB 3.24Å; D160-R163 PolarHBondContact O-N 2.95Å; D160-L164 WeakPolarHBondContact O-CB 3.3Å; D160-L164 PolarHBondContact O-N 3.18Å; D160-P269 VanDerWaalsContact OD1-CA 3.25Å; D160-P269 WeakPolarHBondContact OD1-CA 3.37Å; D160-P269 WeakPolarHBondContact OD1-CB 3.06Å; D160-L270 PolarHBondContact OD1-N 2.98Å; D160-L270 PolarHBondContact OD2-N 2.86Å; D160-N271 WeakPolarHBondContact OD2-CB 3.39Å; D160-N271 PolarHBondContact OD2-N 3.28Å; D160-N271 PolarHBondContact OD2-ND2 2.97Å; D160-I273 HydrophobicContact CB-CD1 4.21Å
161	T	93.4	Very high	91.2	Very high	78 Å²	78	36 Å²	36	48%	0.479	18%	0.179	S	C	.	.	H	α-helix	trans	-67.9	-42.7	177.1	-54.7	0	0	0	0	111.4	N159 L164 F165	N159-T161 VanDerWaalsContact C-N 3.25Å; N159-T161 PolarHBondContact O-N 2.84Å; N159-T161 VanDerWaalsContact OD1-CB 3.3Å; N159-T161 WeakPolarHBondContact OD1-CB 3.48Å; N159-T161 PolarHBondContact OD1-N 3.42Å; T161-L164 PolarHBondContact O-N 3.46Å; T161-F165 HydrophobicContact CG2-CD2 4.08Å; T161-F165 HydrophobicContact CG2-CE1 4.13Å; T161-F165 HydrophobicContact CG2-CE2 3.53Å; T161-F165 HydrophobicContact CG2-CZ 3.55Å; T161-F165 VanDerWaalsContact O-CG 3.27Å; T161-F165 WeakPolarHBondContact O-CG 3.11Å; T161-F165 PolarHBondContact O-N 2.78Å
162	R	93.7	Very high	91.9	Very high	109 Å²	109	35.2 Å²	35.2	41%	0.411	17%	0.173	S	C	.	.	H	α-helix	trans	-64.1	-43.1	176.5	-68.8	-63.6	-159.3	-157.9	-0.3	111.5	D156 N159 F165 Q166 Y459	D156-R162 HydrophobicContact CB-CG 4.1Å; D156-R162 IonicContact OD2-CZ 3.12Å; D156-R162 IonicContact OD2-NE 2.66Å; D156-R162 PolarHBondContact OD2-NE 3.45Å; D156-R162 IonicContact OD2-NH2 2.99Å; N159-R162 HydrophobicContact CB-CB 4.14Å; N159-R162 HydrophobicContact CB-CG 3.97Å; N159-R162 PolarHBondContact O-N 3.04Å; N159-R162 VanDerWaalsContact O-N 3.09Å; N159-R162 PolarHBondContact OD1-N 3.04Å; R162-F165 PolarHBondContact O-N 2.86Å; R162-Q166 PolarHBondContact O-N 3.29Å; R162-Y459 HydrophobicContact CB-CE1 4.04Å
163	R	96	Very high	92.2	Very high	21 Å²	21	37.7 Å²	37.7	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-49.8	174.3	-68.3	171.4	70.8	77	2.3	111.5	S157 N159 D160 Q166 L167 Y459 H460 T461	S157-R163 PolarHBondContact O-NH1 2.9Å; N159-R163 VanDerWaalsContact O-CG 3.28Å; N159-R163 WeakPolarHBondContact O-CG 3.4Å; N159-R163 PolarHBondContact O-N 2.94Å; D160-R163 WeakPolarHBondContact O-CB 3.24Å; D160-R163 PolarHBondContact O-N 2.95Å; R163-Q166 PolarHBondContact O-N 2.75Å; R163-L167 WeakPolarHBondContact O-CB 3.5Å; R163-L167 PolarHBondContact O-N 2.87Å; R163-Y459 HydrophobicContact CG-CD1 3.81Å; R163-Y459 HydrophobicContact CG-CG 4.2Å; R163-Y459 PolarHBondContact NH1-O 3.08Å; R163-H460 PolarHBondContact NH2-O 2.9Å; R163-H460 VanDerWaalsContact NH2-O 3.17Å; R163-T461 HydrophobicContact CB-CG2 4.39Å; R163-T461 WeakPolarHBondContact CB-OG1 3.27Å; R163-T461 VanDerWaalsContact NH2-CA 3.3Å
164	L	96.6	Very high	92.3	Very high	23 Å²	23	40.6 Å²	40.6	12%	0.12	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-43.8	178.8	-177.9	63.4	0	0	0	112.1	D160 T161 L167 E168 V267 N277 F442 V444	D160-L164 WeakPolarHBondContact O-CB 3.3Å; D160-L164 PolarHBondContact O-N 3.18Å; T161-L164 PolarHBondContact O-N 3.46Å; L164-L167 PolarHBondContact O-N 2.95Å; L164-E168 WeakPolarHBondContact O-CB 3.32Å; L164-E168 PolarHBondContact O-N 2.96Å; L164-V267 HydrophobicContact CD1-CG2 4.26Å; L164-N277 VanDerWaalsContact CD2-ND2 3.34Å; L164-N277 WeakPolarHBondContact CD2-ND2 3.47Å; L164-F442 HydrophobicContact CD1-CB 4.31Å; L164-F442 HydrophobicContact CD1-CD1 3.79Å; L164-F442 HydrophobicContact CD1-CE1 4.46Å; L164-F442 HydrophobicContact CD1-CG 4.28Å; L164-V444 HydrophobicContact CD1-CG2 4.38Å; L164-V444 HydrophobicContact CD2-CG2 4.45Å
165	F	95	Very high	92.7	Very high	95 Å²	95	40.7 Å²	40.7	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-40.5	178.1	-68.9	-17.9	0	0	0	112.8	T161 R162 R169	T161-F165 HydrophobicContact CG2-CD2 4.08Å; T161-F165 HydrophobicContact CG2-CE1 4.13Å; T161-F165 HydrophobicContact CG2-CE2 3.53Å; T161-F165 HydrophobicContact CG2-CZ 3.55Å; T161-F165 VanDerWaalsContact O-CG 3.27Å; T161-F165 WeakPolarHBondContact O-CG 3.11Å; T161-F165 PolarHBondContact O-N 2.78Å; R162-F165 PolarHBondContact O-N 2.86Å; F165-R169 WeakPolarHBondContact O-CG 3.44Å; F165-R169 PolarHBondContact O-N 3.28Å; F165-R169 PolarHBondContact O-NH1 2.8Å
166	Q	96.8	Very high	93.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.3	-37.3	175.9	-171.8	60.6	50	0	0	111.7	R162 R163 R169 N170 W458 Y459	R162-Q166 PolarHBondContact O-N 3.29Å; R163-Q166 PolarHBondContact O-N 2.75Å; Q166-R169 PolarHBondContact O-N 2.89Å; Q166-N170 WeakPolarHBondContact O-CB 2.98Å; Q166-N170 PolarHBondContact O-N 3.25Å; Q166-W458 HydrophobicContact CG-CB 4.3Å; Q166-Y459 HydrophobicContact CB-CD2 3.7Å; Q166-Y459 HydrophobicContact CB-CE2 3.81Å; Q166-Y459 HydrophobicContact CG-CD2 3.77Å; Q166-Y459 HydrophobicContact CG-CE2 3.93Å
167	L	97.4	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-45.9	174.5	176.9	63.1	0	0	0	112	R163 L164 R169 N170 L171 V265 V267 E456 T461 Y463	R163-L167 WeakPolarHBondContact O-CB 3.5Å; R163-L167 PolarHBondContact O-N 2.87Å; L164-L167 PolarHBondContact O-N 2.95Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 2.94Å; L167-N170 PolarHBondContact O-N 3.3Å; L167-L171 HydrophobicContact CD1-CD1 3.82Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 4Å; L167-L171 HydrophobicContact CG-CG 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.1Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.33Å; L167-V265 HydrophobicContact CD2-CG1 4.33Å; L167-V267 HydrophobicContact CD2-CB 4.41Å; L167-V267 HydrophobicContact CD2-CG1 3.93Å; L167-V267 HydrophobicContact CD2-CG2 3.6Å; L167-E456 HydrophobicContact CB-CG 4.35Å; L167-E456 HydrophobicContact CD1-CB 4.11Å; L167-E456 HydrophobicContact CD1-CG 4.24Å; L167-T461 HydrophobicContact CD2-CG2 4.15Å; L167-Y463 HydrophobicContact CD1-CD1 3.54Å; L167-Y463 HydrophobicContact CD1-CD2 4.05Å; L167-Y463 HydrophobicContact CD1-CE1 3.76Å; L167-Y463 HydrophobicContact CD1-CE2 4.26Å; L167-Y463 HydrophobicContact CD1-CG 3.69Å; L167-Y463 HydrophobicContact CD2-CG 4.15Å
168	E	96	Very high	94	Very high	18 Å²	18	39.7 Å²	39.7	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-55.3	-48	177.2	-176.4	-75.5	118.6	0	0	111.2	L164 L171 S172 Y178 W256 M279 R440 F442	L164-E168 WeakPolarHBondContact O-CB 3.32Å; L164-E168 PolarHBondContact O-N 2.96Å; E168-L171 PolarHBondContact O-N 2.97Å; E168-S172 PolarHBondContact O-N 2.75Å; E168-S172 PolarHBondContact O-OG 3.43Å; E168-S172 VanDerWaalsContact O-OG 3.1Å; E168-S172 PolarHBondContact OE1-OG 3.41Å; E168-Y178 VanDerWaalsContact OE2-CE1 3.25Å; E168-Y178 WeakPolarHBondContact OE2-CE1 3.49Å; E168-Y178 PolarHBondContact OE2-OH 2.71Å; E168-W256 PolarHBondContact OE1-NE1 3.34Å; E168-M279 HydrophobicContact CG-SD 4.32Å; E168-R440 PolarHBondContact O-NH2 2.85Å; E168-R440 IonicContact OE1-CZ 2.6Å; E168-R440 IonicContact OE1-NH1 2.97Å; E168-R440 PolarHBondContact OE1-NH1 2.67Å; E168-F442 HydrophobicContact CB-CE1 4.26Å; E168-F442 HydrophobicContact CB-CZ 3.98Å; E168-F442 HydrophobicContact CG-CE2 4.27Å; E168-F442 HydrophobicContact CG-CZ 3.83Å
169	R	95.7	Very high	94.7	Very high	27 Å²	27	40.6 Å²	40.6	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-49.1	173.9	-76.1	-168.3	-61.4	-86.8	6.3	112.6	F165 Q166 L167 L171 S172 Y178 T179	F165-R169 WeakPolarHBondContact O-CG 3.44Å; F165-R169 PolarHBondContact O-N 3.28Å; F165-R169 PolarHBondContact O-NH1 2.8Å; Q166-R169 PolarHBondContact O-N 2.89Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 2.94Å; R169-L171 PolarHBondContact O-N 2.89Å; R169-S172 WeakPolarHBondContact O-CB 3.25Å; R169-S172 PolarHBondContact O-N 3.46Å; R169-S172 PolarHBondContact O-OG 2.57Å; R169-Y178 HydrophobicContact CB-CE1 4.4Å; R169-Y178 VanDerWaalsContact CB-O 3.31Å; R169-Y178 WeakPolarHBondContact CB-O 3.45Å; R169-Y178 WeakPolarHBondContact CD-O 3.36Å; R169-Y178 HydrophobicContact CG-CD1 4.04Å; R169-Y178 HydrophobicContact CG-CE1 3.63Å; R169-Y178 HydrophobicContact CG-CE2 4.13Å; R169-Y178 HydrophobicContact CG-CG 4.46Å; R169-Y178 VanDerWaalsContact CG-O 3.24Å; R169-Y178 WeakPolarHBondContact CG-O 3.37Å; R169-T179 WeakPolarHBondContact O-CG2 3.17Å
170	N	95.7	Very high	95	Very high	52 Å²	52	38.7 Å²	38.7	28%	0.278	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-30.7	-179	-169.3	48.4	0	0	0	112.5	Q166 L167 S172 E456 P457	Q166-N170 WeakPolarHBondContact O-CB 2.98Å; Q166-N170 PolarHBondContact O-N 3.25Å; L167-N170 PolarHBondContact O-N 3.3Å; N170-S172 VanDerWaalsContact C-N 3.3Å; N170-S172 PolarHBondContact O-N 2.95Å; N170-E456 HydrophobicContact CB-CG 4.13Å; N170-P457 WeakPolarHBondContact ND2-CD 3.17Å
171	L	96.5	Very high	95.1	Very high	35 Å²	35	37.9 Å²	37.9	18%	0.183	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.8	176.6	-67.5	-178.8	0	0	0	114.5	L167 E168 R169 V265 R440 F442 Y463 V465	L167-L171 HydrophobicContact CD1-CD1 3.82Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 4Å; L167-L171 HydrophobicContact CG-CG 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.1Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.33Å; E168-L171 PolarHBondContact O-N 2.97Å; R169-L171 PolarHBondContact O-N 2.89Å; L171-V265 HydrophobicContact CD1-CG1 3.71Å; L171-V265 HydrophobicContact CD1-CG2 4.04Å; L171-R440 VanDerWaalsContact CB-NH2 3.28Å; L171-R440 PolarHBondContact O-NH2 2.98Å; L171-F442 HydrophobicContact CD1-CE1 4.37Å; L171-Y463 HydrophobicContact CD1-CD2 4.28Å; L171-Y463 HydrophobicContact CD1-CE2 4.24Å; L171-Y463 HydrophobicContact CD2-CE2 3.67Å; L171-Y463 HydrophobicContact CG-CE2 4.41Å; L171-V465 HydrophobicContact CD1-CG2 3.74Å; L171-V465 HydrophobicContact CD2-CG2 3.9Å; L171-V465 HydrophobicContact CG-CG2 4.48Å
172	S	95.9	Very high	95.2	Very high	8 Å²	8	35 Å²	35	6%	0.056	20%	0.195	C	C	.	.	S	Bend	trans	-83.4	178.5	173.4	-60.8	0	0	0	0	111.3	E168 R169 N170 G174 P255 W256	E168-S172 PolarHBondContact O-N 2.75Å; E168-S172 PolarHBondContact O-OG 3.43Å; E168-S172 VanDerWaalsContact O-OG 3.1Å; E168-S172 PolarHBondContact OE1-OG 3.41Å; R169-S172 WeakPolarHBondContact O-CB 3.25Å; R169-S172 PolarHBondContact O-N 3.46Å; R169-S172 PolarHBondContact O-OG 2.57Å; N170-S172 VanDerWaalsContact C-N 3.3Å; N170-S172 PolarHBondContact O-N 2.95Å; S172-G174 PolarHBondContact O-N 3.39Å; S172-G174 VanDerWaalsContact O-N 3.07Å; S172-P255 WeakPolarHBondContact CB-O 3.4Å; S172-W256 PolarHBondContact OG-NE1 3.08Å; S172-W256 VanDerWaalsContact OG-NE1 3.07Å
173	K	95.3	Very high	95.1	Very high	79 Å²	79	31 Å²	31	34%	0.343	18%	0.184	S	C	.	.			trans	-53.1	114.6	-179.2	-178.1	-172.4	173.4	-169.4	0	111.7	G175 H176 T179 D253 P255 P257	K173-G175 PolarHBondContact O-N 2.81Å; K173-H176 HydrophobicContact CB-CB 4.36Å; K173-H176 VanDerWaalsContact O-CB 3.27Å; K173-H176 WeakPolarHBondContact O-CB 3.47Å; K173-H176 PolarHBondContact O-N 2.87Å; K173-H176 VanDerWaalsContact O-N 3.1Å; K173-T179 WeakPolarHBondContact O-CG2 3.43Å; K173-D253 IonicContact NZ-OD2 3.86Å; K173-D253 PolarHBondContact NZ-OD2 2.96Å; K173-P255 VanDerWaalsContact CB-O 3.32Å; K173-P255 WeakPolarHBondContact CB-O 3.28Å; K173-P255 PolarHBondContact N-O 3.21Å; K173-P257 HydrophobicContact CB-CG 3.97Å; K173-P257 HydrophobicContact CD-CG 4.04Å; K173-P257 HydrophobicContact CG-CG 4.07Å
174	G	92.4	Very high	95.1	Very high	71 Å²	71	30 Å²	30	73%	0.732	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	130.6	177.2	0	0	0	0	0	112.4	S172	S172-G174 PolarHBondContact O-N 3.39Å; S172-G174 VanDerWaalsContact O-N 3.07Å
175	G	91.1	Very high	94.9	Very high	55 Å²	55	29.5 Å²	29.5	57%	0.567	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-11.5	-179.4	0	0	0	0	0	115.6	K173	K173-G175 PolarHBondContact O-N 2.81Å
176	H	94.3	Very high	94.9	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.046	17%	0.171	C	C	.	.	S	Bend	trans	-72.8	142.4	170.6	-169.4	-51.2	0	0	0	110.4	K173 Y178 T179 W251 D253	K173-H176 HydrophobicContact CB-CB 4.36Å; K173-H176 VanDerWaalsContact O-CB 3.27Å; K173-H176 WeakPolarHBondContact O-CB 3.47Å; K173-H176 PolarHBondContact O-N 2.87Å; K173-H176 VanDerWaalsContact O-N 3.1Å; H176-Y178 PolarHBondContact ND1-N 3.24Å; H176-Y178 VanDerWaalsContact ND1-N 3.11Å; H176-Y178 PolarHBondContact O-N 3.48Å; H176-T179 WeakPolarHBondContact O-CB 3.43Å; H176-T179 PolarHBondContact O-N 2.64Å; H176-T179 PolarHBondContact O-OG1 3.42Å; H176-W251 AromaticContact CE1-CD1 3.61Å; H176-D253 IonicContact CD2-OD2 3.15Å; H176-D253 PolarHBondContact NE2-O 2.8Å; H176-D253 IonicContact NE2-OD1 3.22Å
177	D	94.5	Very high	94.7	Very high	46 Å²	46	34.4 Å²	34.4	25%	0.246	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59	-22.2	-178.6	-65.6	-39.2	0	0	0	114.8	L60 T179 K180 W251	L60-D177 HydrophobicContact CD2-CB 4.14Å; L60-D177 WeakPolarHBondContact CD2-O 3.49Å; D177-T179 PolarHBondContact O-N 3.12Å; D177-K180 HydrophobicContact CB-CD 4.33Å; D177-K180 VanDerWaalsContact CG-NZ 3.31Å; D177-K180 WeakPolarHBondContact O-CB 3.4Å; D177-K180 WeakPolarHBondContact O-CD 3.47Å; D177-K180 VanDerWaalsContact O-CG 3.24Å; D177-K180 WeakPolarHBondContact O-CG 3.42Å; D177-K180 PolarHBondContact O-N 2.9Å; D177-K180 VanDerWaalsContact O-N 3.15Å; D177-K180 WeakPolarHBondContact OD1-CE 3.29Å; D177-K180 IonicContact OD1-NZ 3.15Å; D177-K180 PolarHBondContact OD1-NZ 3.1Å; D177-W251 PolarHBondContact OD2-NE1 3.39Å; D177-W251 VanDerWaalsContact OD2-NE1 3.12Å
178	Y	95	Very high	94.6	Very high	11 Å²	11	34.4 Å²	34.4	4%	0.043	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-65.7	-19.2	177.3	-170	-111.2	0	0	0	112.4	L60 E168 R169 H176 K180 F182 P255 W256 P329 I333	L60-Y178 HydrophobicContact CD2-CD2 4.29Å; E168-Y178 VanDerWaalsContact OE2-CE1 3.25Å; E168-Y178 WeakPolarHBondContact OE2-CE1 3.49Å; E168-Y178 PolarHBondContact OE2-OH 2.71Å; R169-Y178 HydrophobicContact CB-CE1 4.4Å; R169-Y178 VanDerWaalsContact CB-O 3.31Å; R169-Y178 WeakPolarHBondContact CB-O 3.45Å; R169-Y178 WeakPolarHBondContact CD-O 3.36Å; R169-Y178 HydrophobicContact CG-CD1 4.04Å; R169-Y178 HydrophobicContact CG-CE1 3.63Å; R169-Y178 HydrophobicContact CG-CE2 4.13Å; R169-Y178 HydrophobicContact CG-CG 4.46Å; R169-Y178 VanDerWaalsContact CG-O 3.24Å; R169-Y178 WeakPolarHBondContact CG-O 3.37Å; H176-Y178 PolarHBondContact ND1-N 3.24Å; H176-Y178 VanDerWaalsContact ND1-N 3.11Å; H176-Y178 PolarHBondContact O-N 3.48Å; Y178-K180 VanDerWaalsContact C-N 3.28Å; Y178-K180 PolarHBondContact O-N 3.2Å; Y178-F182 HydrophobicContact CD2-CZ 4.4Å; Y178-P255 HydrophobicContact CD1-CB 3.74Å; Y178-P255 HydrophobicContact CD1-CG 3.99Å; Y178-P255 HydrophobicContact CG-CB 4.01Å; Y178-P255 HydrophobicContact CG-CG 4.17Å; Y178-W256 HydrophobicContact CD1-CZ2 4.41Å; Y178-W256 AromaticContact CE1-CZ2 3.68Å; Y178-W256 HydrophobicContact CE1-CZ2 3.68Å; Y178-W256 AromaticContact CZ-CZ2 4Å; Y178-P329 HydrophobicContact CD2-CB 4.37Å; Y178-P329 HydrophobicContact CE2-CB 3.69Å; Y178-P329 HydrophobicContact CE2-CG 3.65Å; Y178-I333 HydrophobicContact CD2-CD1 4.09Å; Y178-I333 HydrophobicContact CD2-CG2 4.44Å; Y178-I333 HydrophobicContact CE2-CG2 4.45Å; Y178-I333 HydrophobicContact CG-CD1 4.43Å
179	T	95.4	Very high	94.6	Very high	32 Å²	32	33.5 Å²	33.5	20%	0.196	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-77.3	-10	176.6	62.9	0	0	0	0	113.7	R169 K173 H176 D177	R169-T179 WeakPolarHBondContact O-CG2 3.17Å; K173-T179 WeakPolarHBondContact O-CG2 3.43Å; H176-T179 WeakPolarHBondContact O-CB 3.43Å; H176-T179 PolarHBondContact O-N 2.64Å; H176-T179 PolarHBondContact O-OG1 3.42Å; D177-T179 PolarHBondContact O-N 3.12Å
180	K	95	Very high	94.4	Very high	24 Å²	24	35 Å²	35	10%	0.104	20%	0.197	C	C	.	.	S	Bend	trans	-63.4	157.5	-176.4	-68.3	172.3	-174.1	168.8	0	112.3	L60 D62 D177 Y178 F182	L60-K180 PolarHBondContact O-NZ 3.46Å; D62-K180 HydrophobicContact CB-CD 4.32Å; D62-K180 WeakPolarHBondContact O-CE 3.34Å; D62-K180 PolarHBondContact O-NZ 3.4Å; D177-K180 HydrophobicContact CB-CD 4.33Å; D177-K180 VanDerWaalsContact CG-NZ 3.31Å; D177-K180 WeakPolarHBondContact O-CB 3.4Å; D177-K180 WeakPolarHBondContact O-CD 3.47Å; D177-K180 VanDerWaalsContact O-CG 3.24Å; D177-K180 WeakPolarHBondContact O-CG 3.42Å; D177-K180 PolarHBondContact O-N 2.9Å; D177-K180 VanDerWaalsContact O-N 3.15Å; D177-K180 WeakPolarHBondContact OD1-CE 3.29Å; D177-K180 IonicContact OD1-NZ 3.15Å; D177-K180 PolarHBondContact OD1-NZ 3.1Å; Y178-K180 VanDerWaalsContact C-N 3.28Å; Y178-K180 PolarHBondContact O-N 3.2Å; K180-F182 HydrophobicContact CB-CD1 4.15Å; K180-F182 HydrophobicContact CB-CE1 3.98Å
181	F	95.4	Very high	94.3	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	20%	0.203	C	C	.	.			trans	-89.6	104.7	171.8	174	-133.2	0	0	0	109.9	P67 G68 H153 G184 N185 W458 Y459	P67-F181 CarbonylContact C-O 3.56Å; P67-F181 HydrophobicContact CB-CB 3.95Å; P67-F181 VanDerWaalsContact CB-O 3.26Å; P67-F181 WeakPolarHBondContact CB-O 3.42Å; G68-F181 PolarHBondContact N-O 3.23Å; H153-F181 AromaticContact CE1-CZ 3.74Å; H153-F181 AromaticContact ND1-CZ 3.6Å; F181-G184 WeakPolarHBondContact CE1-O 3.42Å; F181-G184 WeakPolarHBondContact CZ-O 3.02Å; F181-N185 HydrophobicContact CE1-CB 4.04Å; F181-N185 HydrophobicContact CZ-CB 4.39Å; F181-W458 HydrophobicContact CB-CD2 3.86Å; F181-W458 HydrophobicContact CB-CG 4.09Å; F181-W458 HydrophobicContact CB-CZ2 3.94Å; F181-W458 AromaticContact CD1-CD2 3.65Å; F181-W458 HydrophobicContact CD1-CD2 3.65Å; F181-W458 AromaticContact CD1-CE3 3.5Å; F181-W458 HydrophobicContact CD1-CE3 3.5Å; F181-W458 HydrophobicContact CD1-CG 4.24Å; F181-W458 HydrophobicContact CD1-CH2 4.14Å; F181-W458 HydrophobicContact CD1-CZ2 4.27Å; F181-W458 AromaticContact CD1-CZ3 3.75Å; F181-W458 HydrophobicContact CD1-CZ3 3.75Å; F181-W458 HydrophobicContact CD2-CB 4.16Å; F181-W458 HydrophobicContact CD2-CD2 4.21Å; F181-W458 AromaticContact CD2-CG 3.93Å; F181-W458 HydrophobicContact CD2-CG 3.93Å; F181-W458 HydrophobicContact CE1-CD2 4.2Å; F181-W458 AromaticContact CE1-CE3 3.76Å; F181-W458 HydrophobicContact CE1-CE3 3.76Å; F181-W458 HydrophobicContact CE1-CZ3 4.15Å; F181-W458 HydrophobicContact CE2-CB 4.26Å; F181-W458 HydrophobicContact CE2-CG 4.45Å; F181-W458 HydrophobicContact CG-CB 4.49Å; F181-W458 AromaticContact CG-CD2 3.64Å; F181-W458 HydrophobicContact CG-CD2 3.64Å; F181-W458 AromaticContact CG-CE2 3.87Å; F181-W458 HydrophobicContact CG-CE3 4.02Å; F181-W458 AromaticContact CG-CG 3.83Å; F181-W458 HydrophobicContact CG-CG 3.83Å; F181-W458 HydrophobicContact CG-CZ2 4.42Å; F181-W458 HydrophobicContact CZ-CE3 4.48Å; F181-Y459 AromaticContact CE2-CE2 3.89Å; F181-Y459 HydrophobicContact CE2-CE2 3.89Å
182	F	95	Very high	94	Very high	18 Å²	18	35.6 Å²	35.6	8%	0.079	20%	0.199	C	C	.	.	S	Bend	trans	-75.9	-33.7	-169.6	-62.4	-20.1	0	0	0	114.4	S59 L60 G68 P107 Y178 K180 G184	S59-F182 VanDerWaalsContact CB-CB 3.49Å; S59-F182 PolarHBondContact OG-O 3.1Å; L60-F182 HydrophobicContact CD2-CE1 3.86Å; L60-F182 HydrophobicContact CD2-CZ 3.64Å; L60-F182 HydrophobicContact CG-CE1 4.27Å; L60-F182 HydrophobicContact CG-CZ 4.08Å; G68-F182 WeakPolarHBondContact CA-O 3.33Å; P107-F182 HydrophobicContact CB-CD2 4.39Å; P107-F182 HydrophobicContact CB-CE2 3.78Å; P107-F182 HydrophobicContact CB-CZ 4.08Å; P107-F182 HydrophobicContact CG-CD2 4.06Å; P107-F182 HydrophobicContact CG-CE2 3.63Å; P107-F182 HydrophobicContact CG-CZ 4.42Å; Y178-F182 HydrophobicContact CD2-CZ 4.4Å; K180-F182 HydrophobicContact CB-CD1 4.15Å; K180-F182 HydrophobicContact CB-CE1 3.98Å; F182-G184 VanDerWaalsContact C-N 3.34Å; F182-G184 PolarHBondContact O-N 3.24Å
183	S	93	Very high	93.8	Very high	26 Å²	26	39.8 Å²	39.8	18%	0.182	23%	0.228	C	C	.	.	S	Bend	trans	-70.1	-33.8	-175.9	-53.6	0	0	0	0	112.3	H71	H71-S183 PolarHBondContact ND1-O 3.4Å
184	G	94.5	Very high	93.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.			trans	67.8	162.7	-166.4	0	0	0	0	0	112.8	P67 F181 F182 S188	P67-G184 WeakPolarHBondContact O-CA 3.48Å; F181-G184 WeakPolarHBondContact CE1-O 3.42Å; F181-G184 WeakPolarHBondContact CZ-O 3.02Å; F182-G184 VanDerWaalsContact C-N 3.34Å; F182-G184 PolarHBondContact O-N 3.24Å; G184-S188 WeakPolarHBondContact CA-OG 3.2Å
185	N	94	Very high	93.4	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.064	20%	0.196	C	C	.	.			trans	-156.6	-179.9	170.2	68.5	14.9	0	0	0	108.8	H153 F181 Y187 S188 L189	H153-N185 HydrophobicContact CB-CB 4.08Å; H153-N185 PolarHBondContact CD2-ND2 3.11Å; H153-N185 PolarHBondContact NE2-ND2 3.39Å; F181-N185 HydrophobicContact CE1-CB 4.04Å; F181-N185 HydrophobicContact CZ-CB 4.39Å; N185-Y187 PolarHBondContact O-N 3.37Å; N185-Y187 WeakPolarHBondContact OD1-CA 3.37Å; N185-Y187 WeakPolarHBondContact OD1-CB 3.3Å; N185-Y187 PolarHBondContact OD1-N 3.04Å; N185-S188 PolarHBondContact N-OG 2.85Å; N185-S188 PolarHBondContact O-N 2.82Å; N185-S188 PolarHBondContact O-OG 2.83Å; N185-S188 PolarHBondContact OD1-N 2.91Å; N185-L189 WeakPolarHBondContact O-CB 3.14Å; N185-L189 PolarHBondContact O-N 3.39Å; N185-L189 VanDerWaalsContact O-N 3.11Å
186	R	93.3	Very high	93.4	Very high	76 Å²	76	40 Å²	40	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-58.6	-38.7	-179.7	-169.8	173.9	-136.3	86.5	4.4	112.1	V146 S147 Q150 F190 E191	V146-R186 HydrophobicContact CG2-CB 4.06Å; V146-R186 HydrophobicContact CG2-CG 4.08Å; S147-R186 PolarHBondContact OG-NH1 3.44Å; S147-R186 PolarHBondContact OG-NH2 2.67Å; Q150-R186 HydrophobicContact CB-CB 4.25Å; Q150-R186 HydrophobicContact CG-CB 4.38Å; R186-F190 PolarHBondContact O-N 3.02Å; R186-E191 WeakPolarHBondContact CD-OE1 3.43Å; R186-E191 HydrophobicContact CG-CG 4.19Å; R186-E191 PolarHBondContact O-N 3.34Å
187	Y	94.3	Very high	93.3	Very high	121 Å²	121	43.7 Å²	43.7	48%	0.475	23%	0.227	S	C	.	.	I	π-helix	trans	-65.2	-48.4	178.9	-179.9	-99	0	0	0	112.4	N185 L189 E191 S192 W458	N185-Y187 PolarHBondContact O-N 3.37Å; N185-Y187 WeakPolarHBondContact OD1-CA 3.37Å; N185-Y187 WeakPolarHBondContact OD1-CB 3.3Å; N185-Y187 PolarHBondContact OD1-N 3.04Å; Y187-L189 VanDerWaalsContact C-N 3.33Å; Y187-L189 PolarHBondContact O-N 3.37Å; Y187-E191 HydrophobicContact CD2-CB 4.03Å; Y187-E191 PolarHBondContact O-N 3.07Å; Y187-E191 VanDerWaalsContact O-N 3.17Å; Y187-S192 VanDerWaalsContact O-CB 3.28Å; Y187-S192 WeakPolarHBondContact O-CB 3.48Å; Y187-S192 PolarHBondContact O-N 2.8Å; Y187-W458 HydrophobicContact CD1-CH2 4.46Å; Y187-W458 HydrophobicContact CD1-CZ3 4.03Å
188	S	95.3	Very high	93.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-68.2	-31.4	-178	73.6	0	0	0	0	113	P67 G184 N185	P67-S188 WeakPolarHBondContact O-CB 3.38Å; P67-S188 PolarHBondContact O-OG 2.84Å; G184-S188 WeakPolarHBondContact CA-OG 3.2Å; N185-S188 PolarHBondContact N-OG 2.85Å; N185-S188 PolarHBondContact O-N 2.82Å; N185-S188 PolarHBondContact O-OG 2.83Å; N185-S188 PolarHBondContact OD1-N 2.91Å
189	L	94.4	Very high	93.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-94.5	-23.3	-174.7	-67	171.3	0	0	0	114.3	L66 L69 F72 V149 N185 Y187 T200	L66-L189 HydrophobicContact CB-CD2 4.47Å; L66-L189 WeakPolarHBondContact CD2-O 3.46Å; L69-L189 HydrophobicContact CD1-CD2 4.5Å; F72-L189 HydrophobicContact CB-CD1 3.91Å; F72-L189 HydrophobicContact CB-CD2 4.42Å; F72-L189 HydrophobicContact CD1-CD1 4.25Å; F72-L189 HydrophobicContact CD2-CD1 4.39Å; F72-L189 HydrophobicContact CG-CD1 3.94Å; V149-L189 HydrophobicContact CG1-CD1 4.26Å; N185-L189 WeakPolarHBondContact O-CB 3.14Å; N185-L189 PolarHBondContact O-N 3.39Å; N185-L189 VanDerWaalsContact O-N 3.11Å; Y187-L189 VanDerWaalsContact C-N 3.33Å; Y187-L189 PolarHBondContact O-N 3.37Å; L189-T200 WeakPolarHBondContact O-CG2 3.22Å; L189-T200 PolarHBondContact O-OG1 3.45Å
190	F	92.8	Very high	93	Very high	57 Å²	57	45.3 Å²	45.3	25%	0.25	24%	0.237	C	C	.	.	I	π-helix	trans	-138.8	-34.3	-174.8	-69.8	-98	0	0	0	115.3	F72 T142 V146 R186 K196 T200	F72-F190 HydrophobicContact CE1-CE2 4.12Å; F72-F190 HydrophobicContact CE1-CZ 4.13Å; F72-F190 HydrophobicContact CZ-CE2 4.22Å; F72-F190 HydrophobicContact CZ-CZ 4.23Å; T142-F190 HydrophobicContact CG2-CE1 4.21Å; T142-F190 HydrophobicContact CG2-CZ 3.7Å; V146-F190 HydrophobicContact CB-CD2 4.05Å; V146-F190 HydrophobicContact CB-CE2 3.6Å; V146-F190 HydrophobicContact CB-CZ 4.37Å; V146-F190 HydrophobicContact CG1-CD2 4.26Å; V146-F190 HydrophobicContact CG1-CE2 3.93Å; V146-F190 HydrophobicContact CG1-CZ 4.36Å; V146-F190 HydrophobicContact CG2-CD2 3.58Å; V146-F190 HydrophobicContact CG2-CE2 3.62Å; R186-F190 PolarHBondContact O-N 3.02Å; F190-K196 WeakPolarHBondContact O-CG 3.32Å; F190-T200 HydrophobicContact CE1-CG2 4.29Å; F190-T200 HydrophobicContact CE2-CG2 4.01Å; F190-T200 HydrophobicContact CZ-CG2 3.85Å
191	E	92.8	Very high	92.9	Very high	88 Å²	88	47.3 Å²	47.3	41%	0.411	24%	0.243	S	C	.	.	I	π-helix	trans	-103.2	-21.2	-166	-50.3	177.1	159.2	0	0	115	R186 Y187 K196	R186-E191 WeakPolarHBondContact CD-OE1 3.43Å; R186-E191 HydrophobicContact CG-CG 4.19Å; R186-E191 PolarHBondContact O-N 3.34Å; Y187-E191 HydrophobicContact CD2-CB 4.03Å; Y187-E191 PolarHBondContact O-N 3.07Å; Y187-E191 VanDerWaalsContact O-N 3.17Å; E191-K196 WeakPolarHBondContact O-CD 3.44Å; E191-K196 WeakPolarHBondContact O-CE 3.31Å; E191-K196 PolarHBondContact O-NZ 3.2Å
192	S	91.5	Very high	92.9	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.084	27%	0.272	C	S	.	.	S	Bend	trans	-61.8	155.9	177.5	75.7	0	0	0	0	110.9	Y187 C194 A195 K196	Y187-S192 VanDerWaalsContact O-CB 3.28Å; Y187-S192 WeakPolarHBondContact O-CB 3.48Å; Y187-S192 PolarHBondContact O-N 2.8Å; S192-C194 PolarHBondContact O-N 3.1Å; S192-A195 PolarHBondContact O-N 3.28Å; S192-A195 VanDerWaalsContact O-N 3.16Å; S192-A195 VanDerWaalsContact OG-CB 3.24Å; S192-A195 WeakPolarHBondContact OG-CB 3.16Å; S192-A195 PolarHBondContact OG-N 2.97Å; S192-K196 WeakPolarHBondContact O-CB 3.27Å; S192-K196 WeakPolarHBondContact O-CG 3.35Å; S192-K196 PolarHBondContact O-N 3.04Å
193	S	90	Very high	92.9	Very high	96 Å²	96	55 Å²	55	67%	0.671	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37	177.8	52.3	0	0	0	0	112.3	S197	S193-S197 PolarHBondContact O-N 2.82Å
194	C	88.7	Confident	93	Very high	59 Å²	59	53.8 Å²	53.8	40%	0.399	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-45.1	176.5	-58.5	0	0	0	0	111.4	E65 S192 K196 S197	E65-C194 HydrophobicContact CB-CB 4.11Å; S192-C194 PolarHBondContact O-N 3.1Å; C194-K196 PolarHBondContact O-N 3.27Å; C194-S197 WeakPolarHBondContact O-CB 3.43Å; C194-S197 PolarHBondContact O-N 2.96Å; C194-S197 VanDerWaalsContact O-N 3.09Å; C194-S197 PolarHBondContact O-OG 3.38Å
195	A	90.7	Very high	93	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-61.1	-44.3	178	0	0	0	0	0	112	L66 S192 S197 V198	L66-A195 HydrophobicContact CD2-CB 3.67Å; S192-A195 PolarHBondContact O-N 3.28Å; S192-A195 VanDerWaalsContact O-N 3.16Å; S192-A195 VanDerWaalsContact OG-CB 3.24Å; S192-A195 WeakPolarHBondContact OG-CB 3.16Å; S192-A195 PolarHBondContact OG-N 2.97Å; A195-S197 PolarHBondContact O-N 3Å; A195-S197 VanDerWaalsContact O-N 3.14Å; A195-V198 WeakPolarHBondContact O-CG2 3.45Å; A195-V198 PolarHBondContact O-N 3.02Å; A195-V198 VanDerWaalsContact O-N 3.14Å
196	K	92.1	Very high	93.1	Very high	151 Å²	151	60.8 Å²	60.8	66%	0.657	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63	-18.8	176.3	-74.1	174.7	171.1	144.2	0	114.1	F190 E191 S192 C194 V198	F190-K196 WeakPolarHBondContact O-CG 3.32Å; E191-K196 WeakPolarHBondContact O-CD 3.44Å; E191-K196 WeakPolarHBondContact O-CE 3.31Å; E191-K196 PolarHBondContact O-NZ 3.2Å; S192-K196 WeakPolarHBondContact O-CB 3.27Å; S192-K196 WeakPolarHBondContact O-CG 3.35Å; S192-K196 PolarHBondContact O-N 3.04Å; C194-K196 PolarHBondContact O-N 3.27Å; K196-V198 VanDerWaalsContact C-N 3.3Å
197	S	92.3	Very high	93.3	Very high	86 Å²	86	57.4 Å²	57.4	60%	0.601	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-81.8	-9.2	179	77.2	0	0	0	0	113.7	S193 C194 A195	S193-S197 PolarHBondContact O-N 2.82Å; C194-S197 WeakPolarHBondContact O-CB 3.43Å; C194-S197 PolarHBondContact O-N 2.96Å; C194-S197 VanDerWaalsContact O-N 3.09Å; C194-S197 PolarHBondContact O-OG 3.38Å; A195-S197 PolarHBondContact O-N 3Å; A195-S197 VanDerWaalsContact O-N 3.14Å
198	V	92.9	Very high	93.4	Very high	38 Å²	38	52.3 Å²	52.3	23%	0.23	27%	0.272	C	S	.	.	S	Bend	trans	-132	157.7	-178.3	-63.6	0	0	0	0	110.6	L66 A195 K196 K203	L66-V198 HydrophobicContact CD1-CG2 3.94Å; L66-V198 HydrophobicContact CD2-CG2 4.07Å; L66-V198 HydrophobicContact CG-CG2 4.03Å; A195-V198 WeakPolarHBondContact O-CG2 3.45Å; A195-V198 PolarHBondContact O-N 3.02Å; A195-V198 VanDerWaalsContact O-N 3.14Å; K196-V198 VanDerWaalsContact C-N 3.3Å; V198-K203 HydrophobicContact CB-CG 4.1Å; V198-K203 HydrophobicContact CG2-CG 4.14Å
199	N	92.8	Very high	93.4	Very high	76 Å²	76	55.1 Å²	55.1	41%	0.406	29%	0.291	S	S	.	.			trans	-85	112.5	168.2	-177.9	-44	0	0	0	108.9	R201 E202 K203	N199-R201 VanDerWaalsContact C-N 3.28Å; N199-R201 PolarHBondContact O-N 2.85Å; N199-R201 WeakPolarHBondContact OD1-CB 3.41Å; N199-R201 PolarHBondContact OD1-N 2.72Å; N199-E202 HydrophobicContact CB-CB 3.97Å; N199-E202 HydrophobicContact CB-CG 3.86Å; N199-E202 PolarHBondContact O-N 3.25Å; N199-E202 PolarHBondContact OD1-N 3.39Å; N199-E202 VanDerWaalsContact OD1-N 3.08Å; N199-K203 PolarHBondContact O-N 3.44Å
200	T	92.6	Very high	93.5	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-56.8	-39.8	-177.5	-52.7	0	0	0	0	112.4	L66 F72 L189 F190 K203 L204	L66-T200 HydrophobicContact CD1-CG2 4.32Å; F72-T200 HydrophobicContact CD1-CG2 4.43Å; F72-T200 HydrophobicContact CE1-CG2 4.16Å; L189-T200 WeakPolarHBondContact O-CG2 3.22Å; L189-T200 PolarHBondContact O-OG1 3.45Å; F190-T200 HydrophobicContact CE1-CG2 4.29Å; F190-T200 HydrophobicContact CE2-CG2 4.01Å; F190-T200 HydrophobicContact CZ-CG2 3.85Å; T200-K203 PolarHBondContact O-N 3.5Å; T200-L204 WeakPolarHBondContact O-CB 3.32Å; T200-L204 PolarHBondContact O-N 2.85Å
201	R	93	Very high	93.7	Very high	66 Å²	66	57.9 Å²	57.9	25%	0.249	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-42.7	178.1	-178.5	-176.9	179.5	-84.8	-13.1	112.2	L136 F137 D139 N199 K203 L204 L205	L136-R201 PolarHBondContact O-NH2 2.92Å; F137-R201 PolarHBondContact O-NE 3.41Å; F137-R201 PolarHBondContact O-NH2 2.79Å; F137-R201 VanDerWaalsContact O-NH2 3.14Å; D139-R201 WeakPolarHBondContact OD1-CD 3.34Å; D139-R201 IonicContact OD1-NE 3.96Å; D139-R201 PolarHBondContact OD1-NE 3.22Å; N199-R201 VanDerWaalsContact C-N 3.28Å; N199-R201 PolarHBondContact O-N 2.85Å; N199-R201 WeakPolarHBondContact OD1-CB 3.41Å; N199-R201 PolarHBondContact OD1-N 2.72Å; R201-K203 VanDerWaalsContact C-N 3.28Å; R201-K203 PolarHBondContact O-N 2.86Å; R201-L204 WeakPolarHBondContact O-CB 3.45Å; R201-L204 PolarHBondContact O-N 3.45Å; R201-L205 HydrophobicContact CG-CD1 4.42Å; R201-L205 PolarHBondContact O-N 2.81Å
202	E	94.4	Very high	93.9	Very high	127 Å²	127	53.7 Å²	53.7	59%	0.593	29%	0.287	S	S	*	.	H	α-helix	trans	-62.1	-39.8	175.1	-69.5	178.5	177.3	0	0	111.1	N199 L205 Q206	N199-E202 HydrophobicContact CB-CB 3.97Å; N199-E202 HydrophobicContact CB-CG 3.86Å; N199-E202 PolarHBondContact O-N 3.25Å; N199-E202 PolarHBondContact OD1-N 3.39Å; N199-E202 VanDerWaalsContact OD1-N 3.08Å; E202-L205 PolarHBondContact O-N 2.75Å; E202-Q206 WeakPolarHBondContact O-CB 3.34Å; E202-Q206 PolarHBondContact O-N 3.13Å
203	K	95.2	Very high	94.2	Very high	54 Å²	54	53.1 Å²	53.1	24%	0.235	28%	0.283	C	S	.	.	H	α-helix	trans	-66.4	-36.9	174.5	-73.2	-67	-179.9	-174	0	112.9	L66 L69 V198 N199 T200 R201 Q206 F207	L66-K203 HydrophobicContact CD1-CB 3.49Å; L66-K203 VanDerWaalsContact CD1-CB 3.49Å; L66-K203 HydrophobicContact CD1-CG 3.75Å; L69-K203 HydrophobicContact CD2-CB 4.2Å; V198-K203 HydrophobicContact CB-CG 4.1Å; V198-K203 HydrophobicContact CG2-CG 4.14Å; N199-K203 PolarHBondContact O-N 3.44Å; T200-K203 PolarHBondContact O-N 3.5Å; R201-K203 VanDerWaalsContact C-N 3.28Å; R201-K203 PolarHBondContact O-N 2.86Å; K203-Q206 PolarHBondContact O-N 2.93Å; K203-F207 VanDerWaalsContact O-CB 3.29Å; K203-F207 WeakPolarHBondContact O-CB 3.43Å; K203-F207 PolarHBondContact O-N 3Å
204	L	94.7	Very high	94.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-47.6	173.5	176.2	59.5	0	0	0	111.6	L69 F72 C73 M76 F137 T200 R201 Q206 F207 Y208	L69-L204 HydrophobicContact CD1-CB 4.21Å; L69-L204 HydrophobicContact CD1-CD1 4.37Å; F72-L204 HydrophobicContact CE1-CD2 4.47Å; C73-L204 VanDerWaalsContact CA-CD1 3.44Å; C73-L204 HydrophobicContact CB-CD1 3.37Å; M76-L204 HydrophobicContact CB-CD2 4.14Å; M76-L204 HydrophobicContact CG-CD2 3.87Å; F137-L204 HydrophobicContact CB-CD2 4.32Å; F137-L204 HydrophobicContact CD1-CD1 4.49Å; F137-L204 HydrophobicContact CD1-CD2 3.39Å; F137-L204 HydrophobicContact CD1-CG 3.88Å; F137-L204 HydrophobicContact CE1-CD1 4.1Å; F137-L204 HydrophobicContact CE1-CD2 3.8Å; F137-L204 HydrophobicContact CE1-CG 3.94Å; F137-L204 HydrophobicContact CG-CD2 3.97Å; F137-L204 HydrophobicContact CG-CG 4.25Å; F137-L204 HydrophobicContact CZ-CD1 4.39Å; F137-L204 HydrophobicContact CZ-CG 4.32Å; T200-L204 WeakPolarHBondContact O-CB 3.32Å; T200-L204 PolarHBondContact O-N 2.85Å; R201-L204 WeakPolarHBondContact O-CB 3.45Å; R201-L204 PolarHBondContact O-N 3.45Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 2.66Å; L204-F207 WeakPolarHBondContact O-CB 3.38Å; L204-F207 PolarHBondContact O-N 3.48Å; L204-Y208 WeakPolarHBondContact O-CB 3.4Å; L204-Y208 PolarHBondContact O-N 3Å
205	L	95.1	Very high	95	Very high	61 Å²	61	47.3 Å²	47.3	32%	0.319	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-42.6	173.5	-75.5	165.5	0	0	0	111.6	F137 R201 E202 S209	F137-L205 HydrophobicContact CB-CD2 4.49Å; F137-L205 HydrophobicContact CD2-CD2 3.62Å; F137-L205 HydrophobicContact CD2-CG 4.32Å; F137-L205 HydrophobicContact CE2-CD2 4.37Å; F137-L205 HydrophobicContact CG-CD2 4.47Å; R201-L205 HydrophobicContact CG-CD1 4.42Å; R201-L205 PolarHBondContact O-N 2.81Å; E202-L205 PolarHBondContact O-N 2.75Å; L205-S209 VanDerWaalsContact O-CB 3.23Å; L205-S209 WeakPolarHBondContact O-CB 3.38Å; L205-S209 PolarHBondContact O-N 2.96Å; L205-S209 PolarHBondContact O-OG 3.4Å; L205-S209 VanDerWaalsContact O-OG 3.1Å
206	Q	96.5	Very high	95.3	Very high	98 Å²	98	47.7 Å²	47.7	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-48.1	175.2	-173.5	-179.8	13	0	0	110.6	E202 K203 L204 Y208 S209 T210	E202-Q206 WeakPolarHBondContact O-CB 3.34Å; E202-Q206 PolarHBondContact O-N 3.13Å; K203-Q206 PolarHBondContact O-N 2.93Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 2.66Å; Q206-Y208 PolarHBondContact O-N 3.21Å; Q206-S209 WeakPolarHBondContact CA-OG 3.32Å; Q206-S209 PolarHBondContact O-N 3.26Å; Q206-S209 PolarHBondContact O-OG 3.17Å; Q206-T210 WeakPolarHBondContact O-CB 3.31Å; Q206-T210 PolarHBondContact O-N 3.18Å; Q206-T210 PolarHBondContact O-OG1 2.62Å
207	F	96.9	Very high	95.6	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-51.9	179.2	-177.1	-87.8	0	0	0	110.9	I57 L69 A70 C73 K203 L204 S209 T210 W211 Y212	I57-F207 HydrophobicContact CG2-CZ 3.9Å; L69-F207 HydrophobicContact CD2-CB 3.89Å; L69-F207 HydrophobicContact CD2-CD2 4.16Å; L69-F207 HydrophobicContact CD2-CG 4.2Å; L69-F207 HydrophobicContact CG-CB 4.48Å; L69-F207 HydrophobicContact CG-CG 4.49Å; A70-F207 HydrophobicContact CB-CE1 4.13Å; A70-F207 HydrophobicContact CB-CE2 4.37Å; A70-F207 HydrophobicContact CB-CZ 3.62Å; C73-F207 HydrophobicContact CB-CD1 4.25Å; C73-F207 HydrophobicContact CB-CE1 4.4Å; K203-F207 VanDerWaalsContact O-CB 3.29Å; K203-F207 WeakPolarHBondContact O-CB 3.43Å; K203-F207 PolarHBondContact O-N 3Å; L204-F207 WeakPolarHBondContact O-CB 3.38Å; L204-F207 PolarHBondContact O-N 3.48Å; F207-S209 PolarHBondContact O-N 3.47Å; F207-T210 PolarHBondContact O-N 3.49Å; F207-T210 VanDerWaalsContact O-N 3.16Å; F207-W211 AromaticContact CD2-CD1 3.4Å; F207-W211 VanDerWaalsContact CD2-CD1 3.4Å; F207-W211 AromaticContact CD2-NE1 3.74Å; F207-W211 AromaticContact CE2-CD1 3.43Å; F207-W211 VanDerWaalsContact CE2-CD1 3.43Å; F207-W211 HydrophobicContact CE2-CG 4.42Å; F207-W211 AromaticContact CE2-NE1 3.72Å; F207-W211 AromaticContact CG-CD1 3.77Å; F207-W211 AromaticContact CZ-CD1 3.81Å; F207-W211 HydrophobicContact CZ-CG 4.48Å; F207-W211 WeakPolarHBondContact O-CB 3.44Å; F207-W211 PolarHBondContact O-N 3Å; F207-Y212 HydrophobicContact CD1-CE2 4.42Å; F207-Y212 HydrophobicContact CE1-CE2 4.03Å
208	Y	97.1	Very high	95.9	Very high	13 Å²	13	36.6 Å²	36.6	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-50.5	176.2	-178.7	-88.3	0	0	0	111.6	L77 F131 F132 V133 P135 F137 L204 Q206 T210 W211 Y212	L77-Y208 HydrophobicContact CD1-CE2 4.48Å; L77-Y208 HydrophobicContact CD2-CD2 4.18Å; L77-Y208 HydrophobicContact CD2-CE2 3.93Å; F131-Y208 WeakPolarHBondContact O-CE2 3.33Å; F131-Y208 PolarHBondContact O-OH 3.18Å; F132-Y208 WeakPolarHBondContact CA-OH 3.34Å; F132-Y208 PolarHBondContact O-OH 3.37Å; V133-Y208 PolarHBondContact N-OH 3.47Å; P135-Y208 WeakPolarHBondContact CD-OH 3.5Å; P135-Y208 HydrophobicContact CG-CD1 4.29Å; P135-Y208 HydrophobicContact CG-CD2 4.15Å; P135-Y208 HydrophobicContact CG-CE1 3.88Å; P135-Y208 HydrophobicContact CG-CE2 3.71Å; P135-Y208 HydrophobicContact CG-CG 4.42Å; F137-Y208 HydrophobicContact CE2-CD1 4.43Å; F137-Y208 HydrophobicContact CE2-CD2 4.08Å; F137-Y208 AromaticContact CE2-CG 3.91Å; F137-Y208 HydrophobicContact CE2-CG 3.91Å; F137-Y208 AromaticContact CZ-CD2 3.94Å; F137-Y208 HydrophobicContact CZ-CD2 3.94Å; F137-Y208 HydrophobicContact CZ-CG 4.18Å; L204-Y208 WeakPolarHBondContact O-CB 3.4Å; L204-Y208 PolarHBondContact O-N 3Å; Q206-Y208 PolarHBondContact O-N 3.21Å; Y208-T210 PolarHBondContact O-N 3.16Å; Y208-T210 VanDerWaalsContact O-N 3.14Å; Y208-W211 PolarHBondContact O-N 3.17Å; Y208-Y212 AromaticContact CD2-CD1 3.64Å; Y208-Y212 HydrophobicContact CD2-CD1 3.64Å; Y208-Y212 AromaticContact CD2-CD2 3.94Å; Y208-Y212 HydrophobicContact CD2-CD2 3.94Å; Y208-Y212 HydrophobicContact CD2-CE1 4.23Å; Y208-Y212 HydrophobicContact CD2-CE2 4.5Å; Y208-Y212 AromaticContact CD2-CG 3.49Å; Y208-Y212 HydrophobicContact CD2-CG 3.49Å; Y208-Y212 VanDerWaalsContact CD2-CG 3.49Å; Y208-Y212 AromaticContact CE2-CD1 3.41Å; Y208-Y212 HydrophobicContact CE2-CD1 3.41Å; Y208-Y212 VanDerWaalsContact CE2-CD1 3.41Å; Y208-Y212 HydrophobicContact CE2-CE1 4.17Å; Y208-Y212 AromaticContact CE2-CG 3.63Å; Y208-Y212 HydrophobicContact CE2-CG 3.63Å; Y208-Y212 HydrophobicContact CG-CG 4.24Å; Y208-Y212 WeakPolarHBondContact O-CB 3.41Å; Y208-Y212 PolarHBondContact O-N 3.33Å
209	S	95.6	Very high	96.2	Very high	59 Å²	59	34.8 Å²	34.8	41%	0.413	17%	0.173	S	C	.	.	H	α-helix	trans	-64.5	-18.9	179.4	74.2	0	0	0	0	114.1	L205 Q206 F207 R244	L205-S209 VanDerWaalsContact O-CB 3.23Å; L205-S209 WeakPolarHBondContact O-CB 3.38Å; L205-S209 PolarHBondContact O-N 2.96Å; L205-S209 PolarHBondContact O-OG 3.4Å; L205-S209 VanDerWaalsContact O-OG 3.1Å; Q206-S209 WeakPolarHBondContact CA-OG 3.32Å; Q206-S209 PolarHBondContact O-N 3.26Å; Q206-S209 PolarHBondContact O-OG 3.17Å; F207-S209 PolarHBondContact O-N 3.47Å; S209-R244 WeakPolarHBondContact O-CD 3.36Å; S209-R244 PolarHBondContact O-NE 2.75Å
210	T	96.1	Very high	96.5	Very high	59 Å²	59	31.1 Å²	31.1	36%	0.362	15%	0.153	S	C	.	.	H	α-helix	trans	-89.5	-48.7	178.2	-54.9	0	0	0	0	110.7	Q206 F207 Y208 V246	Q206-T210 WeakPolarHBondContact O-CB 3.31Å; Q206-T210 PolarHBondContact O-N 3.18Å; Q206-T210 PolarHBondContact O-OG1 2.62Å; F207-T210 PolarHBondContact O-N 3.49Å; F207-T210 VanDerWaalsContact O-N 3.16Å; Y208-T210 PolarHBondContact O-N 3.16Å; Y208-T210 VanDerWaalsContact O-N 3.14Å; T210-V246 VanDerWaalsContact O-CG2 3.25Å; T210-V246 WeakPolarHBondContact O-CG2 3.27Å
211	W	97.1	Very high	96.8	Very high	56 Å²	56	30.7 Å²	30.7	21%	0.212	15%	0.151	C	C	.	.	H	α-helix	trans	-103.9	-27.8	-162.5	-66.1	122.6	0	0	0	114.6	I57 F207 Y208 S213 V246 P249	I57-W211 HydrophobicContact CB-CB 4.26Å; I57-W211 HydrophobicContact CD1-CD2 4.03Å; I57-W211 HydrophobicContact CD1-CE3 3.35Å; I57-W211 HydrophobicContact CD1-CZ3 3.74Å; I57-W211 HydrophobicContact CG1-CB 4Å; I57-W211 HydrophobicContact CG1-CD2 4.22Å; I57-W211 HydrophobicContact CG1-CE3 3.82Å; I57-W211 HydrophobicContact CG1-CG 4.34Å; I57-W211 HydrophobicContact CG2-CB 3.89Å; I57-W211 HydrophobicContact CG2-CD2 4.18Å; I57-W211 HydrophobicContact CG2-CG 3.9Å; F207-W211 AromaticContact CD2-CD1 3.4Å; F207-W211 VanDerWaalsContact CD2-CD1 3.4Å; F207-W211 AromaticContact CD2-NE1 3.74Å; F207-W211 AromaticContact CE2-CD1 3.43Å; F207-W211 VanDerWaalsContact CE2-CD1 3.43Å; F207-W211 HydrophobicContact CE2-CG 4.42Å; F207-W211 AromaticContact CE2-NE1 3.72Å; F207-W211 AromaticContact CG-CD1 3.77Å; F207-W211 AromaticContact CZ-CD1 3.81Å; F207-W211 HydrophobicContact CZ-CG 4.48Å; F207-W211 WeakPolarHBondContact O-CB 3.44Å; F207-W211 PolarHBondContact O-N 3Å; Y208-W211 PolarHBondContact O-N 3.17Å; W211-S213 PolarHBondContact O-N 3.1Å; W211-V246 HydrophobicContact CE3-CG1 3.89Å; W211-V246 HydrophobicContact CZ3-CG1 3.9Å; W211-P249 HydrophobicContact CH2-CG 3.89Å; W211-P249 HydrophobicContact CZ3-CG 3.67Å
212	Y	97.5	Very high	97	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.			trans	-80.9	60.1	-176.7	-81.9	-119.8	0	0	0	111.4	V55 L77 Y112 F132 F207 Y208 M217 R244	V55-Y212 HydrophobicContact CG2-CD1 4.13Å; V55-Y212 HydrophobicContact CG2-CE1 3.91Å; L77-Y212 HydrophobicContact CD1-CD1 4.35Å; L77-Y212 HydrophobicContact CD1-CE1 3.63Å; Y112-Y212 HydrophobicContact CE2-CE1 4.15Å; Y112-Y212 PolarHBondContact OH-OH 2.97Å; F132-Y212 HydrophobicContact CD1-CD1 4.12Å; F132-Y212 HydrophobicContact CD1-CE1 4.38Å; F132-Y212 HydrophobicContact CE1-CE1 4.36Å; F207-Y212 HydrophobicContact CD1-CE2 4.42Å; F207-Y212 HydrophobicContact CE1-CE2 4.03Å; Y208-Y212 AromaticContact CD2-CD1 3.64Å; Y208-Y212 HydrophobicContact CD2-CD1 3.64Å; Y208-Y212 AromaticContact CD2-CD2 3.94Å; Y208-Y212 HydrophobicContact CD2-CD2 3.94Å; Y208-Y212 HydrophobicContact CD2-CE1 4.23Å; Y208-Y212 HydrophobicContact CD2-CE2 4.5Å; Y208-Y212 AromaticContact CD2-CG 3.49Å; Y208-Y212 HydrophobicContact CD2-CG 3.49Å; Y208-Y212 VanDerWaalsContact CD2-CG 3.49Å; Y208-Y212 AromaticContact CE2-CD1 3.41Å; Y208-Y212 HydrophobicContact CE2-CD1 3.41Å; Y208-Y212 VanDerWaalsContact CE2-CD1 3.41Å; Y208-Y212 HydrophobicContact CE2-CE1 4.17Å; Y208-Y212 AromaticContact CE2-CG 3.63Å; Y208-Y212 HydrophobicContact CE2-CG 3.63Å; Y208-Y212 HydrophobicContact CG-CG 4.24Å; Y208-Y212 WeakPolarHBondContact O-CB 3.41Å; Y208-Y212 PolarHBondContact O-N 3.33Å; Y212-M217 VanDerWaalsContact C-CE 3.46Å; Y212-M217 HydrophobicContact CD1-CE 4.28Å; Y212-M217 HydrophobicContact CG-CE 4.5Å; Y212-R244 PolarHBondContact O-NH1 3.48Å
213	S	98.1	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.			trans	-98.3	136.1	-179.5	-174.6	0	0	0	0	111.8	W211 N215 L216 M217 R244 V246	W211-S213 PolarHBondContact O-N 3.1Å; S213-N215 WeakPolarHBondContact CB-OD1 3.35Å; S213-N215 PolarHBondContact O-N 2.69Å; S213-N215 VanDerWaalsContact O-N 3.15Å; S213-N215 PolarHBondContact OG-OD1 2.8Å; S213-L216 PolarHBondContact O-N 3.32Å; S213-M217 WeakPolarHBondContact O-CG 3.27Å; S213-R244 PolarHBondContact OG-N 3.1Å; S213-V246 VanDerWaalsContact CB-CG2 3.49Å
214	S	98	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-57.5	-30.8	-178.3	57.6	0	0	0	0	113.8	N34 M36 L216 M217 I242 D243	N34-S214 WeakPolarHBondContact CB-OG 3.31Å; N34-S214 WeakPolarHBondContact ND2-CB 3.44Å; N34-S214 VanDerWaalsContact O-CB 3.3Å; N34-S214 WeakPolarHBondContact O-CB 3.26Å; N34-S214 PolarHBondContact O-OG 2.81Å; M36-S214 VanDerWaalsContact CA-O 3.27Å; M36-S214 WeakPolarHBondContact CA-O 3.44Å; S214-L216 PolarHBondContact O-N 3.44Å; S214-M217 PolarHBondContact O-N 2.95Å; S214-M217 VanDerWaalsContact O-N 3.08Å; S214-I242 PolarHBondContact N-O 3.23Å; S214-D243 WeakPolarHBondContact OG-CA 3.48Å; S214-D243 WeakPolarHBondContact OG-CB 3.32Å; S214-D243 PolarHBondContact OG-N 2.94Å
215	N	96.9	Very high	97.4	Very high	34 Å²	34	26.1 Å²	26.1	18%	0.182	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-69	-13.6	178.8	80.3	-76.3	0	0	0	114.2	R35 S213 D243 V246	R35-N215 HydrophobicContact CB-CB 4.08Å; S213-N215 WeakPolarHBondContact CB-OD1 3.35Å; S213-N215 PolarHBondContact O-N 2.69Å; S213-N215 VanDerWaalsContact O-N 3.15Å; S213-N215 PolarHBondContact OG-OD1 2.8Å; N215-D243 WeakPolarHBondContact CB-OD1 3.39Å; N215-D243 PolarHBondContact OD1-OD1 3.18Å; N215-V246 PolarHBondContact ND2-O 3.26Å; N215-V246 PolarHBondContact OD1-N 3.05Å
216	L	97.3	Very high	97.5	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.047	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-102.5	6.5	173.9	-62.1	-174.7	0	0	0	112.6	N56 I57 S213 S214 V246 Q248	N56-L216 HydrophobicContact CB-CB 4.27Å; N56-L216 VanDerWaalsContact CB-O 3.25Å; N56-L216 WeakPolarHBondContact CB-O 3.39Å; N56-L216 PolarHBondContact N-O 3.32Å; I57-L216 HydrophobicContact CD1-CD1 4.03Å; I57-L216 HydrophobicContact CG1-CD1 3.79Å; S213-L216 PolarHBondContact O-N 3.32Å; S214-L216 PolarHBondContact O-N 3.44Å; L216-V246 HydrophobicContact CD1-CB 3.79Å; L216-V246 HydrophobicContact CD1-CG1 3.67Å; L216-V246 HydrophobicContact CG-CB 4.21Å; L216-Q248 HydrophobicContact CD2-CB 3.89Å
217	M	98.3	Very high	97.6	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.015	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.9	-174.5	-65.7	177.6	-177.6	0	0	112.3	M36 K37 L53 S54 V55 F132 Y212 S213 S214 V241	M36-M217 HydrophobicContact CE-CB 4.01Å; M36-M217 HydrophobicContact CE-SD 3.78Å; M36-M217 HydrophobicContact CG-CB 3.97Å; M36-M217 HydrophobicContact SD-CB 4.44Å; K37-M217 PolarHBondContact N-O 2.88Å; K37-M217 VanDerWaalsContact N-O 3.11Å; L53-M217 HydrophobicContact CD1-SD 4.31Å; L53-M217 HydrophobicContact CD2-CB 4.29Å; L53-M217 HydrophobicContact CD2-CG 4.06Å; L53-M217 HydrophobicContact CD2-SD 4.04Å; S54-M217 WeakPolarHBondContact O-CA 3.35Å; V55-M217 HydrophobicContact CG2-CE 4.03Å; V55-M217 HydrophobicContact CG2-CG 4.17Å; F132-M217 HydrophobicContact CB-CE 4.45Å; F132-M217 HydrophobicContact CD1-CE 4.13Å; Y212-M217 VanDerWaalsContact C-CE 3.46Å; Y212-M217 HydrophobicContact CD1-CE 4.28Å; Y212-M217 HydrophobicContact CG-CE 4.5Å; S213-M217 WeakPolarHBondContact O-CG 3.27Å; S214-M217 PolarHBondContact O-N 2.95Å; S214-M217 VanDerWaalsContact O-N 3.08Å; M217-V241 HydrophobicContact CE-CG1 4.04Å; M217-V241 HydrophobicContact SD-CG1 3.8Å
218	S	98.3	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.8	163.4	58	0	0	0	0	110.2	K37 L53 S54 A401 L405	K37-S218 CarbonylContact O-C 3.55Å; K37-S218 WeakPolarHBondContact O-CA 3.38Å; L53-S218 CarbonylContact C-O 3.57Å; L53-S218 VanDerWaalsContact CA-O 3.3Å; L53-S218 WeakPolarHBondContact CA-O 3.43Å; S54-S218 PolarHBondContact N-O 3.02Å; S54-S218 PolarHBondContact O-N 3.43Å; S218-A401 WeakPolarHBondContact CB-O 3.48Å; S218-A401 PolarHBondContact OG-O 3.36Å; S218-L405 WeakPolarHBondContact OG-CD2 3.33Å; S218-L405 WeakPolarHBondContact OG-CG 3.47Å
219	L	98.7	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.1	179.8	173.3	67.5	0	0	0	109.7	M36 K37 V38 L39 V51 C52 L53 I221 A234 F238	M36-L219 HydrophobicContact CG-CB 4.48Å; M36-L219 HydrophobicContact SD-CB 3.86Å; M36-L219 HydrophobicContact SD-CD2 4.09Å; K37-L219 PolarHBondContact O-N 2.94Å; V38-L219 CarbonylContact C-O 3.03Å; V38-L219 VanDerWaalsContact CA-O 3.26Å; V38-L219 WeakPolarHBondContact CA-O 3.3Å; V38-L219 HydrophobicContact CG1-CD2 4.32Å; V38-L219 HydrophobicContact CG1-CG 4.45Å; V38-L219 HydrophobicContact CG2-CB 4.28Å; V38-L219 HydrophobicContact CG2-CD2 4.3Å; L39-L219 PolarHBondContact N-O 3.33Å; V51-L219 HydrophobicContact CG1-CD1 3.79Å; C52-L219 WeakPolarHBondContact O-CA 3.42Å; L53-L219 HydrophobicContact CB-CD1 4.17Å; L53-L219 HydrophobicContact CD1-CD1 4.38Å; L219-I221 HydrophobicContact CD1-CG1 4.13Å; L219-I221 HydrophobicContact CD2-CD1 4.05Å; L219-I221 HydrophobicContact CD2-CG1 4.26Å; L219-I221 HydrophobicContact CG-CD1 4.38Å; L219-I221 HydrophobicContact CG-CG1 4.04Å; L219-A234 HydrophobicContact CD2-CB 4.49Å; L219-F238 HydrophobicContact CD1-CE1 4.15Å; L219-F238 HydrophobicContact CD1-CE2 4.04Å; L219-F238 HydrophobicContact CD1-CZ 3.75Å; L219-F238 HydrophobicContact CD2-CB 4.36Å; L219-F238 HydrophobicContact CD2-CD1 4.17Å; L219-F238 HydrophobicContact CD2-CD2 3.39Å; L219-F238 HydrophobicContact CD2-CE1 4.29Å; L219-F238 HydrophobicContact CD2-CE2 3.52Å; L219-F238 HydrophobicContact CD2-CG 3.72Å; L219-F238 HydrophobicContact CD2-CZ 3.97Å; L219-F238 HydrophobicContact CG-CE2 4.44Å
220	V	98.7	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.4	171.6	-172.6	0	0	0	0	108.8	L39 I41 V51 C52 V397 L400 A401 L404	L39-V220 HydrophobicContact CB-CG1 4.28Å; L39-V220 HydrophobicContact CB-CG2 4.19Å; L39-V220 HydrophobicContact CD2-CG1 4.12Å; L39-V220 HydrophobicContact CG-CG1 4.33Å; L39-V220 VanDerWaalsContact O-CA 3.3Å; L39-V220 WeakPolarHBondContact O-CA 3.26Å; I41-V220 HydrophobicContact CD1-CG1 3.78Å; I41-V220 HydrophobicContact CG1-CG1 4.33Å; V51-V220 VanDerWaalsContact CA-O 3.28Å; V51-V220 WeakPolarHBondContact CA-O 3.43Å; C52-V220 PolarHBondContact N-O 3.24Å; C52-V220 PolarHBondContact O-N 3.2Å; V220-V397 HydrophobicContact CB-CB 4.12Å; V220-V397 HydrophobicContact CB-CG1 4.45Å; V220-V397 HydrophobicContact CG1-CB 3.94Å; V220-V397 HydrophobicContact CG1-CG1 3.82Å; V220-L400 HydrophobicContact CG1-CB 4.46Å; V220-L400 HydrophobicContact CG2-CB 4.11Å; V220-A401 HydrophobicContact CG2-CB 3.8Å; V220-L404 HydrophobicContact CG2-CD1 3.88Å
221	I	98.7	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.4	176.4	-54.6	179	0	0	0	108.7	L39 L40 I41 V51 L121 L125 L219 L230 A234 F238	L39-I221 PolarHBondContact O-N 3.44Å; L40-I221 HydrophobicContact CD2-CB 4.25Å; L40-I221 HydrophobicContact CD2-CD1 4.35Å; I41-I221 PolarHBondContact N-O 3.01Å; V51-I221 HydrophobicContact CG1-CG1 4.32Å; V51-I221 HydrophobicContact CG2-CG1 4.38Å; V51-I221 HydrophobicContact CG2-CG2 4.13Å; L121-I221 HydrophobicContact CD2-CG2 4.26Å; L125-I221 HydrophobicContact CD1-CD1 4.35Å; L219-I221 HydrophobicContact CD1-CG1 4.13Å; L219-I221 HydrophobicContact CD2-CD1 4.05Å; L219-I221 HydrophobicContact CD2-CG1 4.26Å; L219-I221 HydrophobicContact CG-CD1 4.38Å; L219-I221 HydrophobicContact CG-CG1 4.04Å; I221-L230 HydrophobicContact CG2-CD2 3.87Å; I221-A234 HydrophobicContact CD1-CB 3.96Å; I221-F238 HydrophobicContact CD1-CE2 4.42Å
222	L	98.6	Very high	97.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.9	171.9	-173.9	161	0	0	0	109.3	I41 D43 T46 S49 A50 P393 Y396 V397	I41-L222 HydrophobicContact CB-CB 4.03Å; I41-L222 HydrophobicContact CB-CD1 4.33Å; I41-L222 HydrophobicContact CB-CG 4Å; I41-L222 HydrophobicContact CD1-CB 4.45Å; I41-L222 HydrophobicContact CD1-CD1 4.34Å; I41-L222 HydrophobicContact CG2-CD1 4Å; I41-L222 HydrophobicContact CG2-CG 3.99Å; I41-L222 WeakPolarHBondContact O-CA 3.37Å; D43-L222 HydrophobicContact CB-CD2 4.37Å; T46-L222 HydrophobicContact CG2-CD2 3.97Å; S49-L222 CarbonylContact C-O 3.05Å; S49-L222 WeakPolarHBondContact CA-O 3.41Å; S49-L222 WeakPolarHBondContact CB-O 3.31Å; A50-L222 PolarHBondContact N-O 3.26Å; A50-L222 PolarHBondContact O-N 2.84Å; L222-P393 HydrophobicContact CD1-CB 4.14Å; L222-P393 HydrophobicContact CD2-CB 4.14Å; L222-P393 HydrophobicContact CD2-CG 4.32Å; L222-Y396 HydrophobicContact CD1-CD1 4.17Å; L222-V397 HydrophobicContact CB-CG1 3.77Å; L222-V397 HydrophobicContact CD1-CG1 4.48Å
223	G	98	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	177.8	178.8	0	0	0	0	0	113.8	I41 D43 S49 E225	I41-G223 PolarHBondContact O-N 3.08Å; I41-G223 VanDerWaalsContact O-N 3.09Å; D43-G223 PolarHBondContact N-O 2.57Å; S49-G223 WeakPolarHBondContact OG-CA 3.46Å; G223-E225 VanDerWaalsContact C-N 3.31Å; G223-E225 WeakPolarHBondContact CA-OE2 3.31Å
224	R	96.8	Very high	97.8	Very high	102 Å²	102	29.8 Å²	29.8	39%	0.385	15%	0.146	S	C	.	.	S	Bend	trans	-78.6	-21.4	173.5	-76.4	-172.1	179.3	170.5	-0.3	112.3	T46 P118	T46-R224 HydrophobicContact CG2-CG 3.78Å; T46-R224 VanDerWaalsContact O-CZ 3.29Å; T46-R224 PolarHBondContact O-NE 2.76Å; T46-R224 PolarHBondContact O-NH2 2.67Å; P118-R224 HydrophobicContact CB-CB 4.43Å; P118-R224 HydrophobicContact CB-CG 3.82Å; P118-R224 HydrophobicContact CG-CG 4.17Å
225	E	97.6	Very high	97.8	Very high	48 Å²	48	33.4 Å²	33.4	22%	0.224	16%	0.163	C	C	.	.	S	Bend	trans	-64.3	151.5	-176.7	-61.5	90.6	152.3	0	0	111.5	S42 G223 D229 L230	S42-E225 WeakPolarHBondContact CB-O 3.42Å; S42-E225 PolarHBondContact OG-O 3.2Å; G223-E225 VanDerWaalsContact C-N 3.31Å; G223-E225 WeakPolarHBondContact CA-OE2 3.31Å; E225-D229 HydrophobicContact CB-CB 3.99Å; E225-L230 HydrophobicContact CB-CD2 3.87Å; E225-L230 HydrophobicContact CB-CG 4.01Å
226	S	97.7	Very high	97.8	Very high	47 Å²	47	36 Å²	36	33%	0.329	18%	0.177	S	C	.	.			trans	-60.7	154.4	176.1	77.3	0	0	0	0	111	N228 D229 L230	S226-N228 PolarHBondContact O-N 3.21Å; S226-D229 PolarHBondContact O-N 2.95Å; S226-D229 VanDerWaalsContact OG-CG 3.25Å; S226-D229 PolarHBondContact OG-N 3.17Å; S226-D229 PolarHBondContact OG-OD2 3.05Å; S226-L230 PolarHBondContact O-N 2.98Å
227	I	97.3	Very high	97.7	Very high	20 Å²	20	37 Å²	37	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-50.5	-35.9	175.1	-68.8	-64.4	0	0	0	112.5	E26 K28 L40 Q231	E26-I227 HydrophobicContact CB-CD1 4.23Å; E26-I227 HydrophobicContact CB-CG1 3.98Å; K28-I227 HydrophobicContact CB-CD1 4.31Å; K28-I227 HydrophobicContact CB-CG2 3.57Å; K28-I227 HydrophobicContact CD-CG2 3.42Å; K28-I227 VanDerWaalsContact CD-CG2 3.42Å; K28-I227 HydrophobicContact CG-CG2 4.14Å; L40-I227 HydrophobicContact CB-CD1 4.15Å; I227-Q231 WeakPolarHBondContact O-CB 3.42Å; I227-Q231 PolarHBondContact O-N 3.43Å
228	N	97.2	Very high	97.7	Very high	101 Å²	101	36.8 Å²	36.8	54%	0.54	18%	0.18	S	C	.	.	H	α-helix	trans	-70.8	-35.1	178.8	-69	-31.7	0	0	0	112.7	S226 K232	S226-N228 PolarHBondContact O-N 3.21Å; N228-K232 WeakPolarHBondContact O-CG 3.38Å; N228-K232 PolarHBondContact O-N 3.45Å
229	D	97.7	Very high	97.6	Very high	72 Å²	72	39 Å²	39	39%	0.385	20%	0.195	S	C	.	.	H	α-helix	trans	-76.9	-40.1	178.1	-62.5	-41	0	0	0	110.9	E225 S226 Q231 K232 L233	E225-D229 HydrophobicContact CB-CB 3.99Å; S226-D229 PolarHBondContact O-N 2.95Å; S226-D229 VanDerWaalsContact OG-CG 3.25Å; S226-D229 PolarHBondContact OG-N 3.17Å; S226-D229 PolarHBondContact OG-OD2 3.05Å; D229-Q231 VanDerWaalsContact C-N 3.27Å; D229-Q231 PolarHBondContact O-N 2.82Å; D229-K232 PolarHBondContact O-N 3.04Å; D229-K232 IonicContact OD1-NZ 3.51Å; D229-L233 WeakPolarHBondContact O-CG 3.41Å; D229-L233 PolarHBondContact O-N 3.45Å
230	L	98.1	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-39	170.7	-66.6	179.3	0	0	0	111.8	L40 I41 L121 I221 E225 S226 L233 A234	L40-L230 HydrophobicContact CB-CB 4.31Å; L40-L230 HydrophobicContact CB-CD1 4.45Å; L40-L230 HydrophobicContact CD1-CB 4.29Å; L40-L230 HydrophobicContact CD2-CB 4.14Å; L40-L230 HydrophobicContact CG-CB 4.48Å; I41-L230 VanDerWaalsContact O-CD1 3.31Å; I41-L230 WeakPolarHBondContact O-CD1 3.4Å; L121-L230 HydrophobicContact CD2-CD2 4.22Å; I221-L230 HydrophobicContact CG2-CD2 3.87Å; E225-L230 HydrophobicContact CB-CD2 3.87Å; E225-L230 HydrophobicContact CB-CG 4.01Å; S226-L230 PolarHBondContact O-N 2.98Å; L230-L233 HydrophobicContact CD2-CD1 4.42Å; L230-L233 PolarHBondContact O-N 3.34Å; L230-A234 PolarHBondContact O-N 3.37Å
231	Q	97.9	Very high	97.4	Very high	41 Å²	41	45.4 Å²	45.4	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-48.8	174.9	172.9	175.1	-17.2	0	0	111.3	M30 L40 I227 D229 L233 A234 E235	M30-Q231 HydrophobicContact CE-CG 3.83Å; M30-Q231 HydrophobicContact SD-CB 4.28Å; M30-Q231 HydrophobicContact SD-CG 3.71Å; L40-Q231 HydrophobicContact CD1-CB 3.67Å; I227-Q231 WeakPolarHBondContact O-CB 3.42Å; I227-Q231 PolarHBondContact O-N 3.43Å; D229-Q231 VanDerWaalsContact C-N 3.27Å; D229-Q231 PolarHBondContact O-N 2.82Å; Q231-L233 VanDerWaalsContact C-N 3.28Å; Q231-L233 PolarHBondContact O-N 3.1Å; Q231-A234 PolarHBondContact O-N 3.47Å; Q231-E235 HydrophobicContact CG-CG 4.41Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.39Å; Q231-E235 PolarHBondContact NE2-OE1 3.49Å; Q231-E235 WeakPolarHBondContact O-CG 3.49Å; Q231-E235 PolarHBondContact O-N 2.89Å
232	K	97.5	Very high	97.3	Very high	130 Å²	130	50.2 Å²	50.2	57%	0.565	25%	0.25	S	C	*	.	H	α-helix	trans	-60.5	-39.2	177.1	-71.3	170.8	-171.7	164.7	0	111.6	N228 D229 E235 D236	N228-K232 WeakPolarHBondContact O-CG 3.38Å; N228-K232 PolarHBondContact O-N 3.45Å; D229-K232 PolarHBondContact O-N 3.04Å; D229-K232 IonicContact OD1-NZ 3.51Å; K232-E235 PolarHBondContact O-N 3.44Å; K232-D236 WeakPolarHBondContact O-CB 3.49Å; K232-D236 PolarHBondContact O-N 2.95Å
233	L	96.7	Very high	97.2	Very high	18 Å²	18	52.5 Å²	52.5	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-45	175	-75.4	169.8	0	0	0	111.4	R122 L125 D229 L230 Q231 D236 K237	R122-L233 HydrophobicContact CB-CD2 4.47Å; R122-L233 HydrophobicContact CG-CD2 4.06Å; L125-L233 HydrophobicContact CD1-CB 4.47Å; D229-L233 WeakPolarHBondContact O-CG 3.41Å; D229-L233 PolarHBondContact O-N 3.45Å; L230-L233 HydrophobicContact CD2-CD1 4.42Å; L230-L233 PolarHBondContact O-N 3.34Å; Q231-L233 VanDerWaalsContact C-N 3.28Å; Q231-L233 PolarHBondContact O-N 3.1Å; L233-D236 PolarHBondContact O-N 3.49Å; L233-K237 WeakPolarHBondContact O-CB 3.48Å; L233-K237 WeakPolarHBondContact O-CG 3.28Å; L233-K237 PolarHBondContact O-N 3.25Å
234	A	97.8	Very high	97.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-44.8	176.4	0	0	0	0	0	111.8	V38 L40 L219 I221 L230 Q231 F238	V38-A234 HydrophobicContact CG1-CB 4.3Å; L40-A234 HydrophobicContact CD2-CB 4.23Å; L219-A234 HydrophobicContact CD2-CB 4.49Å; I221-A234 HydrophobicContact CD1-CB 3.96Å; L230-A234 PolarHBondContact O-N 3.37Å; Q231-A234 PolarHBondContact O-N 3.47Å; A234-F238 WeakPolarHBondContact O-CB 3.19Å; A234-F238 PolarHBondContact O-N 2.92Å
235	E	97.8	Very high	97	Very high	75 Å²	75	56.3 Å²	56.3	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-47.3	177.4	-71.8	169	-179.9	0	0	111.9	M30 L32 Q231 K232 K237 S239	M30-E235 HydrophobicContact CE-CG 4.45Å; L32-E235 HydrophobicContact CD2-CG 3.75Å; Q231-E235 HydrophobicContact CG-CG 4.41Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.39Å; Q231-E235 PolarHBondContact NE2-OE1 3.49Å; Q231-E235 WeakPolarHBondContact O-CG 3.49Å; Q231-E235 PolarHBondContact O-N 2.89Å; K232-E235 PolarHBondContact O-N 3.44Å; E235-K237 PolarHBondContact O-N 2.83Å; E235-S239 WeakPolarHBondContact O-CB 3.42Å; E235-S239 PolarHBondContact O-N 3.34Å; E235-S239 PolarHBondContact O-OG 3.01Å
236	D	96.6	Very high	96.9	Very high	89 Å²	89	55.1 Å²	55.1	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-41.8	179.5	-175.5	40.4	0	0	0	111.9	K232 L233	K232-D236 WeakPolarHBondContact O-CB 3.49Å; K232-D236 PolarHBondContact O-N 2.95Å; L233-D236 PolarHBondContact O-N 3.49Å
237	K	96.3	Very high	96.7	Very high	29 Å²	29	58.9 Å²	58.9	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-91.1	-29.8	-171	-56.7	-63.4	156.3	-152.8	0	114.7	L125 D126 S129 L233 E235	L125-K237 HydrophobicContact CB-CG 4.2Å; D126-K237 VanDerWaalsContact OD1-CD 3.31Å; D126-K237 WeakPolarHBondContact OD1-CD 3.38Å; D126-K237 WeakPolarHBondContact OD1-CE 3.3Å; D126-K237 IonicContact OD1-NZ 3.18Å; D126-K237 PolarHBondContact OD1-NZ 3.49Å; S129-K237 VanDerWaalsContact CB-O 3.28Å; S129-K237 WeakPolarHBondContact CB-O 3.4Å; L233-K237 WeakPolarHBondContact O-CB 3.48Å; L233-K237 WeakPolarHBondContact O-CG 3.28Å; L233-K237 PolarHBondContact O-N 3.25Å; E235-K237 PolarHBondContact O-N 2.83Å
238	F	97.9	Very high	96.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-116.9	-5.1	-170.4	-63.2	-87.9	0	0	0	114.8	L32 N34 M36 L53 L125 F128 F132 L219 I221 A234 E240 V241	L32-F238 HydrophobicContact CD1-CB 3.86Å; N34-F238 PolarHBondContact ND2-O 3.49Å; M36-F238 HydrophobicContact CE-CB 4.14Å; M36-F238 HydrophobicContact CE-CD1 4.35Å; M36-F238 HydrophobicContact SD-CB 4.05Å; M36-F238 HydrophobicContact SD-CD1 4.42Å; M36-F238 HydrophobicContact SD-CG 4.42Å; L53-F238 HydrophobicContact CD1-CD1 3.95Å; L53-F238 HydrophobicContact CD1-CE1 3.69Å; L125-F238 HydrophobicContact CD2-CE2 3.8Å; L125-F238 HydrophobicContact CD2-CZ 3.88Å; F128-F238 HydrophobicContact CD1-CE1 4.26Å; F128-F238 AromaticContact CD1-CZ 3.96Å; F128-F238 HydrophobicContact CD1-CZ 3.96Å; F128-F238 HydrophobicContact CE1-CE1 4.34Å; F128-F238 HydrophobicContact CE1-CZ 4.21Å; F132-F238 HydrophobicContact CD2-CE1 4.31Å; L219-F238 HydrophobicContact CD1-CE1 4.15Å; L219-F238 HydrophobicContact CD1-CE2 4.04Å; L219-F238 HydrophobicContact CD1-CZ 3.75Å; L219-F238 HydrophobicContact CD2-CB 4.36Å; L219-F238 HydrophobicContact CD2-CD1 4.17Å; L219-F238 HydrophobicContact CD2-CD2 3.39Å; L219-F238 HydrophobicContact CD2-CE1 4.29Å; L219-F238 HydrophobicContact CD2-CE2 3.52Å; L219-F238 HydrophobicContact CD2-CG 3.72Å; L219-F238 HydrophobicContact CD2-CZ 3.97Å; L219-F238 HydrophobicContact CG-CE2 4.44Å; I221-F238 HydrophobicContact CD1-CE2 4.42Å; A234-F238 WeakPolarHBondContact O-CB 3.19Å; A234-F238 PolarHBondContact O-N 2.92Å; F238-E240 PolarHBondContact O-N 3Å; F238-V241 HydrophobicContact CD1-CG2 4.42Å; F238-V241 WeakPolarHBondContact O-CB 3.28Å; F238-V241 WeakPolarHBondContact O-CG2 3.44Å; F238-V241 PolarHBondContact O-N 3.42Å
239	S	95.9	Very high	95.9	Very high	45 Å²	45	58.3 Å²	58.3	32%	0.315	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24	176.6	-61.7	0	0	0	0	113.3	E235 V241	E235-S239 WeakPolarHBondContact O-CB 3.42Å; E235-S239 PolarHBondContact O-N 3.34Å; E235-S239 PolarHBondContact O-OG 3.01Å; S239-V241 VanDerWaalsContact C-N 3.26Å; S239-V241 PolarHBondContact O-N 3.24Å
240	E	95.3	Very high	95.4	Very high	133 Å²	133	58.1 Å²	58.1	62%	0.621	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-14.1	176.1	-66.1	-166	170.4	0	0	113.6	V133 F238 I242	V133-E240 HydrophobicContact CG2-CB 4.25Å; F238-E240 PolarHBondContact O-N 3Å; E240-I242 PolarHBondContact O-N 3.07Å
241	V	97.1	Very high	95.1	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.012	31%	0.305	C	S	.	.	S	Bend	trans	-65	123	176.5	-175.9	0	0	0	0	109	N34 M36 F132 V133 M217 F238 S239 D243	N34-V241 PolarHBondContact ND2-O 3.43Å; M36-V241 HydrophobicContact CE-CB 4.12Å; M36-V241 HydrophobicContact CE-CG1 4.29Å; M36-V241 HydrophobicContact CE-CG2 4.16Å; F132-V241 HydrophobicContact CB-CG1 4.27Å; F132-V241 HydrophobicContact CB-CG2 3.85Å; V133-V241 HydrophobicContact CG2-CG2 4.23Å; M217-V241 HydrophobicContact CE-CG1 4.04Å; M217-V241 HydrophobicContact SD-CG1 3.8Å; F238-V241 HydrophobicContact CD1-CG2 4.42Å; F238-V241 WeakPolarHBondContact O-CB 3.28Å; F238-V241 WeakPolarHBondContact O-CG2 3.44Å; F238-V241 PolarHBondContact O-N 3.42Å; S239-V241 VanDerWaalsContact C-N 3.26Å; S239-V241 PolarHBondContact O-N 3.24Å; V241-D243 PolarHBondContact O-N 2.75Å
242	I	97.1	Very high	94.4	Very high	101 Å²	101	64.3 Å²	64.3	52%	0.518	33%	0.334	S	S	.	.			trans	-71.3	125	-171.3	-59.6	170.9	0	0	0	110.4	S214 E240 R244	S214-I242 PolarHBondContact N-O 3.23Å; E240-I242 PolarHBondContact O-N 3.07Å; I242-R244 HydrophobicContact CG2-CG 3.82Å; I242-R244 PolarHBondContact O-N 3.41Å; I242-R244 PolarHBondContact O-NH1 3.24Å; I242-R244 VanDerWaalsContact O-NH1 3.15Å
243	D	97	Very high	94	Very high	50 Å²	50	61.7 Å²	61.7	27%	0.267	33%	0.326	S	S	.	.			trans	-81	110.8	165.2	-170.8	-10.2	0	0	0	110.2	N34 R35 S214 N215 V241 N245	N34-D243 HydrophobicContact CB-CB 4.27Å; R35-D243 IonicContact CZ-OD1 3.65Å; R35-D243 IonicContact CZ-OD2 3.19Å; R35-D243 IonicContact NE-OD1 2.94Å; R35-D243 IonicContact NE-OD2 3.55Å; R35-D243 PolarHBondContact NE-OD2 3.43Å; R35-D243 IonicContact NH2-OD1 3.18Å; R35-D243 PolarHBondContact NH2-OD1 3.49Å; R35-D243 IonicContact NH2-OD2 3.77Å; R35-D243 PolarHBondContact NH2-OD2 2.85Å; S214-D243 WeakPolarHBondContact OG-CA 3.48Å; S214-D243 WeakPolarHBondContact OG-CB 3.32Å; S214-D243 PolarHBondContact OG-N 2.94Å; N215-D243 WeakPolarHBondContact CB-OD1 3.39Å; N215-D243 PolarHBondContact OD1-OD1 3.18Å; V241-D243 PolarHBondContact O-N 2.75Å; D243-N245 PolarHBondContact OD1-N 2.83Å
244	R	95.9	Very high	93.7	Very high	74 Å²	74	63.6 Å²	63.6	28%	0.279	34%	0.339	S	S	.	.			trans	-98.9	6	179	-58.5	174.5	179.3	81.3	-15.4	112.7	S209 Y212 S213 I242 V246	S209-R244 WeakPolarHBondContact O-CD 3.36Å; S209-R244 PolarHBondContact O-NE 2.75Å; Y212-R244 PolarHBondContact O-NH1 3.48Å; S213-R244 PolarHBondContact OG-N 3.1Å; I242-R244 HydrophobicContact CG2-CG 3.82Å; I242-R244 PolarHBondContact O-N 3.41Å; I242-R244 PolarHBondContact O-NH1 3.24Å; I242-R244 VanDerWaalsContact O-NH1 3.15Å; R244-V246 VanDerWaalsContact C-N 3.27Å; R244-V246 HydrophobicContact CB-CG2 3.86Å; R244-V246 PolarHBondContact O-N 3.46Å
245	N	95.3	Very high	93.5	Very high	108 Å²	108	63.6 Å²	63.6	58%	0.578	34%	0.339	S	S	*	.			trans	52.1	44.8	-179.2	-165.8	45.1	0	0	0	113.6	R35 D243	R35-N245 VanDerWaalsContact CZ-OD1 3.31Å; R35-N245 PolarHBondContact NH1-OD1 3.49Å; R35-N245 PolarHBondContact NH2-OD1 2.62Å; D243-N245 PolarHBondContact OD1-N 2.83Å
246	V	95.3	Very high	93.5	Very high	22 Å²	22	60.2 Å²	60.2	13%	0.133	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-75.7	128.5	-178.3	-174	0	0	0	0	109	T210 W211 S213 N215 L216 R244	T210-V246 VanDerWaalsContact O-CG2 3.25Å; T210-V246 WeakPolarHBondContact O-CG2 3.27Å; W211-V246 HydrophobicContact CE3-CG1 3.89Å; W211-V246 HydrophobicContact CZ3-CG1 3.9Å; S213-V246 VanDerWaalsContact CB-CG2 3.49Å; N215-V246 PolarHBondContact ND2-O 3.26Å; N215-V246 PolarHBondContact OD1-N 3.05Å; L216-V246 HydrophobicContact CD1-CB 3.79Å; L216-V246 HydrophobicContact CD1-CG1 3.67Å; L216-V246 HydrophobicContact CG-CB 4.21Å; R244-V246 VanDerWaalsContact C-N 3.27Å; R244-V246 HydrophobicContact CB-CG2 3.86Å; R244-V246 PolarHBondContact O-N 3.46Å
247	V	92.3	Very high	93.4	Very high	126 Å²	126	57.8 Å²	57.8	76%	0.764	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-76.3	125.7	170.3	-179.2	0	0	0	0	107.9
248	Q	88.3	Confident	93.2	Very high	82 Å²	82	62.3 Å²	62.3	38%	0.383	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-58.3	129.7	177.2	-175.8	-171.1	-13.8	0	0	109.9	N56 L216	N56-Q248 PolarHBondContact ND2-NE2 3.09Å; N56-Q248 PolarHBondContact ND2-OE1 2.93Å; L216-Q248 HydrophobicContact CD2-CB 3.89Å
249	P	90	Very high	93	Very high	27 Å²	27	68.7 Å²	68.7	18%	0.175	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-60.4	138.8	171.9	-23.6	34.6	0	0	0	111.9	I57 W211 W251	I57-P249 VanDerWaalsContact CD1-CD 3.48Å; I57-P249 HydrophobicContact CD1-CG 3.68Å; W211-P249 HydrophobicContact CH2-CG 3.89Å; W211-P249 HydrophobicContact CZ3-CG 3.67Å; P249-W251 HydrophobicContact CB-CH2 3.75Å; P249-W251 HydrophobicContact CB-CZ2 4.07Å; P249-W251 HydrophobicContact CB-CZ3 4.17Å
250	S	86.8	Confident	93	Very high	68 Å²	68	67.1 Å²	67.1	48%	0.476	36%	0.359	S	S	.	.			trans	-134	142.9	166.6	63.4	0	0	0	0	109.8
251	W	91.4	Very high	93.1	Very high	23 Å²	23	61 Å²	61	9%	0.087	33%	0.331	C	S	.	.			trans	-105.1	88.5	-178.4	-67.9	-90.1	0	0	0	108.9	L60 H176 D177 P249 D253 A330 A331 G332 I333	L60-W251 HydrophobicContact CB-CH2 3.58Å; L60-W251 HydrophobicContact CB-CZ2 3.3Å; L60-W251 HydrophobicContact CB-CZ3 4.49Å; L60-W251 HydrophobicContact CD1-CD2 4.27Å; L60-W251 HydrophobicContact CD1-CE3 4.11Å; L60-W251 HydrophobicContact CD1-CH2 3.77Å; L60-W251 HydrophobicContact CD1-CZ2 3.95Å; L60-W251 HydrophobicContact CD1-CZ3 3.86Å; L60-W251 HydrophobicContact CG-CH2 4.32Å; L60-W251 HydrophobicContact CG-CZ2 4.18Å; H176-W251 AromaticContact CE1-CD1 3.61Å; D177-W251 PolarHBondContact OD2-NE1 3.39Å; D177-W251 VanDerWaalsContact OD2-NE1 3.12Å; P249-W251 HydrophobicContact CB-CH2 3.75Å; P249-W251 HydrophobicContact CB-CZ2 4.07Å; P249-W251 HydrophobicContact CB-CZ3 4.17Å; W251-D253 VanDerWaalsContact C-N 3.34Å; W251-A330 HydrophobicContact CE3-CB 3.58Å; W251-A330 HydrophobicContact CZ3-CB 3.63Å; W251-A331 PolarHBondContact N-O 2.71Å; W251-A331 VanDerWaalsContact N-O 3.1Å; W251-G332 WeakPolarHBondContact O-CA 3.38Å; W251-I333 HydrophobicContact CB-CD1 3.98Å; W251-I333 HydrophobicContact CB-CG1 3.93Å; W251-I333 HydrophobicContact CD2-CD1 4.48Å; W251-I333 HydrophobicContact CG-CD1 4.13Å
252	N	84.1	Confident	93.1	Very high	148 Å²	148	64.1 Å²	64.1	79%	0.791	34%	0.344	S	S	*	.			trans	-76.4	-21.2	-178	-66.2	-31.9	0	0	0	113
253	D	88.2	Confident	93.1	Very high	75 Å²	75	61.1 Å²	61.1	40%	0.401	33%	0.327	S	S	.	.	S	Bend	trans	-87.4	135.3	170.1	69.1	-53.5	0	0	0	110.5	K173 H176 W251	K173-D253 IonicContact NZ-OD2 3.86Å; K173-D253 PolarHBondContact NZ-OD2 2.96Å; H176-D253 IonicContact CD2-OD2 3.15Å; H176-D253 PolarHBondContact NE2-O 2.8Å; H176-D253 IonicContact NE2-OD1 3.22Å; W251-D253 VanDerWaalsContact C-N 3.34Å
254	T	90.2	Very high	93.1	Very high	59 Å²	59	59.2 Å²	59.2	36%	0.362	32%	0.317	S	S	.	.			trans	-69.8	139.4	177.2	177.4	0	0	0	0	110.5	W256	T254-W256 PolarHBondContact O-N 2.72Å; T254-W256 PolarHBondContact OG1-N 3.41Å
255	P	95.3	Very high	93.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-69	-10.7	168.1	27.3	-31.7	0	0	0	112.5	S172 K173 Y178 P257 I333	S172-P255 WeakPolarHBondContact CB-O 3.4Å; K173-P255 VanDerWaalsContact CB-O 3.32Å; K173-P255 WeakPolarHBondContact CB-O 3.28Å; K173-P255 PolarHBondContact N-O 3.21Å; Y178-P255 HydrophobicContact CD1-CB 3.74Å; Y178-P255 HydrophobicContact CD1-CG 3.99Å; Y178-P255 HydrophobicContact CG-CB 4.01Å; Y178-P255 HydrophobicContact CG-CG 4.17Å; P255-P257 VanDerWaalsContact O-CD 3.29Å; P255-P257 WeakPolarHBondContact O-CD 3.46Å; P255-I333 HydrophobicContact CG-CD1 4.4Å; P255-I333 HydrophobicContact CG-CG1 4.41Å; P255-I333 HydrophobicContact CG-CG2 3.78Å
256	W	96.3	Very high	93.4	Very high	4 Å²	4	53 Å²	53	2%	0.015	29%	0.286	C	S	.	.			trans	-122.2	67.1	-176.2	-46.2	-61.2	0	0	0	112.6	E168 S172 Y178 T254 L261 M279 P281 I333	E168-W256 PolarHBondContact OE1-NE1 3.34Å; S172-W256 PolarHBondContact OG-NE1 3.08Å; S172-W256 VanDerWaalsContact OG-NE1 3.07Å; Y178-W256 HydrophobicContact CD1-CZ2 4.41Å; Y178-W256 AromaticContact CE1-CZ2 3.68Å; Y178-W256 HydrophobicContact CE1-CZ2 3.68Å; Y178-W256 AromaticContact CZ-CZ2 4Å; T254-W256 PolarHBondContact O-N 2.72Å; T254-W256 PolarHBondContact OG1-N 3.41Å; W256-L261 HydrophobicContact CB-CD2 4.08Å; W256-M279 HydrophobicContact CD2-CE 3.71Å; W256-M279 VanDerWaalsContact CE2-CE 3.46Å; W256-M279 HydrophobicContact CE3-CE 4.36Å; W256-M279 HydrophobicContact CG-CE 3.98Å; W256-M279 HydrophobicContact CH2-CE 4.45Å; W256-M279 HydrophobicContact CH2-SD 4.44Å; W256-M279 HydrophobicContact CZ2-CE 3.86Å; W256-M279 HydrophobicContact CZ2-SD 3.99Å; W256-P281 HydrophobicContact CB-CG 3.86Å; W256-P281 HydrophobicContact CD2-CG 4.21Å; W256-P281 HydrophobicContact CE3-CB 3.86Å; W256-P281 HydrophobicContact CE3-CG 3.74Å; W256-P281 HydrophobicContact CG-CG 4.33Å; W256-P281 HydrophobicContact CZ3-CB 4.44Å; W256-I333 HydrophobicContact CH2-CG2 3.64Å; W256-I333 HydrophobicContact CZ2-CG2 4.35Å; W256-I333 HydrophobicContact CZ3-CG2 3.95Å
257	P	94.5	Very high	93.5	Very high	37 Å²	37	52.2 Å²	52.2	24%	0.24	28%	0.281	C	S	.	.			trans	-66.2	167.8	169.2	31	-36.5	0	0	0	111.3	K173 P255 I259 C260	K173-P257 HydrophobicContact CB-CG 3.97Å; K173-P257 HydrophobicContact CD-CG 4.04Å; K173-P257 HydrophobicContact CG-CG 4.07Å; P255-P257 VanDerWaalsContact O-CD 3.29Å; P255-P257 WeakPolarHBondContact O-CD 3.46Å; P257-I259 HydrophobicContact CG-CG2 3.98Å; P257-I259 PolarHBondContact O-N 2.79Å; P257-C260 WeakPolarHBondContact O-CB 3.49Å; P257-C260 PolarHBondContact O-N 3.17Å
258	D	93.5	Very high	93.8	Very high	125 Å²	125	47 Å²	47	67%	0.668	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-44.5	-35.7	-176.3	-66.5	-3.5	0	0	0	115.8	C260 L261	D258-C260 PolarHBondContact O-N 2.78Å; D258-L261 PolarHBondContact O-N 3.42Å; D258-L261 VanDerWaalsContact O-N 3.11Å
259	I	93.7	Very high	94.1	Very high	134 Å²	134	43.4 Å²	43.4	69%	0.687	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-64.6	-23.5	178.3	-167.9	167.1	0	0	0	113.4	P257 K263	P257-I259 HydrophobicContact CG-CG2 3.98Å; P257-I259 PolarHBondContact O-N 2.79Å; I259-K263 WeakPolarHBondContact O-CE 3.45Å
260	C	95.8	Very high	94.1	Very high	12 Å²	12	44.4 Å²	44.4	8%	0.081	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-91.8	-11.4	176.7	-56.9	0	0	0	0	112.4	P257 D258 K263 R440	P257-C260 WeakPolarHBondContact O-CB 3.49Å; P257-C260 PolarHBondContact O-N 3.17Å; D258-C260 PolarHBondContact O-N 2.78Å; C260-K263 WeakPolarHBondContact O-CG 3.24Å; C260-R440 WeakPolarHBondContact O-CD 3.46Å; C260-R440 WeakPolarHBondContact O-CG 3.43Å; C260-R440 PolarHBondContact O-NE 3.43Å
261	L	97.2	Very high	94.3	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-96.1	170.2	-177.1	-53.3	175	0	0	0	110.8	W256 D258 K263 P281 D437 N438 R440	W256-L261 HydrophobicContact CB-CD2 4.08Å; D258-L261 PolarHBondContact O-N 3.42Å; D258-L261 VanDerWaalsContact O-N 3.11Å; L261-K263 WeakPolarHBondContact O-CG 3.17Å; L261-K263 PolarHBondContact O-N 3.35Å; L261-P281 HydrophobicContact CD2-CG 3.91Å; L261-D437 WeakPolarHBondContact CB-O 3.33Å; L261-N438 WeakPolarHBondContact CD1-OD1 3.46Å; L261-R440 HydrophobicContact CD2-CG 4.14Å
262	K	97.6	Very high	94.3	Very high	67 Å²	67	44.1 Å²	44.1	29%	0.291	23%	0.232	S	C	.	.	S	Bend	trans	57.1	34.8	-174.2	-59.6	169.7	-69.1	-171.4	0	112.3	D437 S439 I468 L473	K262-D437 HydrophobicContact CD-CB 4.37Å; K262-S439 PolarHBondContact N-O 2.98Å; K262-I468 WeakPolarHBondContact O-CG1 3.42Å; K262-I468 PolarHBondContact O-N 2.75Å; K262-L473 HydrophobicContact CB-CD1 4.1Å; K262-L473 HydrophobicContact CD-CD1 3.83Å; K262-L473 HydrophobicContact CG-CD1 4.01Å; K262-L473 HydrophobicContact CG-CD2 4.32Å
263	K	97.3	Very high	94.7	Very high	37 Å²	37	39.4 Å²	39.4	16%	0.161	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.6	-179.7	-57.5	-57.1	-176.5	172.5	0	111.2	I259 C260 L261 V265 V441 V465 I466 D467	I259-K263 WeakPolarHBondContact O-CE 3.45Å; C260-K263 WeakPolarHBondContact O-CG 3.24Å; L261-K263 WeakPolarHBondContact O-CG 3.17Å; L261-K263 PolarHBondContact O-N 3.35Å; K263-V265 HydrophobicContact CB-CG2 4.46Å; K263-V441 PolarHBondContact O-N 2.98Å; K263-V465 HydrophobicContact CB-CG1 4.21Å; K263-V465 HydrophobicContact CD-CG1 4.07Å; K263-V465 HydrophobicContact CG-CG1 4.28Å; K263-I466 WeakPolarHBondContact CA-O 3.22Å; K263-D467 WeakPolarHBondContact CD-OD1 3.37Å; K263-D467 WeakPolarHBondContact CE-OD1 3.34Å; K263-D467 IonicContact NZ-OD1 3.76Å; K263-D467 PolarHBondContact NZ-OD1 3.35Å; K263-D467 IonicContact NZ-OD2 3.69Å
264	M	97.1	Very high	95.1	Very high	10 Å²	10	36 Å²	36	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.8	163.2	-174.2	69.8	68.9	0	0	107.8	Y266 V441 L443 I466 I468 W476	M264-Y266 HydrophobicContact CB-CE2 4.35Å; M264-Y266 HydrophobicContact CG-CD2 4.3Å; M264-Y266 HydrophobicContact CG-CE1 4.4Å; M264-Y266 HydrophobicContact CG-CE2 3.59Å; M264-V441 CarbonylContact C-O 3.5Å; M264-V441 WeakPolarHBondContact CA-O 3.24Å; M264-V441 HydrophobicContact CE-CB 3.91Å; M264-V441 HydrophobicContact CE-CG1 3.8Å; M264-V441 HydrophobicContact CE-CG2 4.38Å; M264-V441 HydrophobicContact SD-CB 3.6Å; M264-V441 HydrophobicContact SD-CG1 3.42Å; M264-V441 WeakPolarHBondContact SD-CG1 3.31Å; M264-L443 HydrophobicContact CE-CD1 4.39Å; M264-L443 HydrophobicContact CG-CD1 4.26Å; M264-L443 HydrophobicContact SD-CD1 3.47Å; M264-L443 WeakPolarHBondContact SD-CD1 3.37Å; M264-L443 HydrophobicContact SD-CG 3.69Å; M264-I466 HydrophobicContact CB-CD1 4.33Å; M264-I466 HydrophobicContact CB-CG1 3.78Å; M264-I466 HydrophobicContact CG-CG1 4.46Å; M264-I466 PolarHBondContact N-O 2.85Å; M264-I466 PolarHBondContact O-N 3.3Å; M264-I468 HydrophobicContact CB-CG1 4.05Å; M264-W476 HydrophobicContact CE-CH2 4.23Å
265	V	97.7	Very high	95.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.2	-177.6	-173.4	0	0	0	0	108.4	L167 L171 K263 V267 V441 F442 L443 Y463 L464 V465	L167-V265 HydrophobicContact CD2-CG1 4.33Å; L171-V265 HydrophobicContact CD1-CG1 3.71Å; L171-V265 HydrophobicContact CD1-CG2 4.04Å; K263-V265 HydrophobicContact CB-CG2 4.46Å; V265-V267 HydrophobicContact CG1-CG2 3.96Å; V265-V441 PolarHBondContact N-O 3.16Å; V265-F442 HydrophobicContact CB-CD1 3.63Å; V265-F442 HydrophobicContact CB-CE1 3.92Å; V265-F442 HydrophobicContact CB-CG 4.12Å; V265-F442 HydrophobicContact CG1-CD1 3.72Å; V265-F442 HydrophobicContact CG1-CE1 3.86Å; V265-F442 HydrophobicContact CG2-CD1 4.12Å; V265-F442 HydrophobicContact CG2-CE1 3.95Å; V265-F442 HydrophobicContact CG2-CZ 4.23Å; V265-F442 CarbonylContact O-C 3.48Å; V265-F442 VanDerWaalsContact O-CA 3.3Å; V265-F442 WeakPolarHBondContact O-CA 3.44Å; V265-L443 PolarHBondContact O-N 3.45Å; V265-Y463 HydrophobicContact CG1-CD2 4.49Å; V265-L464 CarbonylContact C-O 3.41Å; V265-L464 WeakPolarHBondContact CA-O 3.43Å; V265-V465 HydrophobicContact CG1-CG2 4.23Å; V265-V465 HydrophobicContact CG2-CG1 4.49Å; V265-V465 HydrophobicContact CG2-CG2 4.23Å
266	Y	98.2	Very high	95.6	Very high	52 Å²	52	35.9 Å²	35.9	20%	0.204	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132	173.3	-60.2	-90.8	0	0	0	109	M264 L443 F448 C452 Y463 L464 I466	M264-Y266 HydrophobicContact CB-CE2 4.35Å; M264-Y266 HydrophobicContact CG-CD2 4.3Å; M264-Y266 HydrophobicContact CG-CE1 4.4Å; M264-Y266 HydrophobicContact CG-CE2 3.59Å; Y266-L443 CarbonylContact C-O 3.6Å; Y266-L443 WeakPolarHBondContact CA-O 3.33Å; Y266-L443 HydrophobicContact CD1-CB 4.15Å; Y266-L443 HydrophobicContact CD1-CD1 4.18Å; Y266-L443 HydrophobicContact CE1-CB 4.46Å; Y266-L443 HydrophobicContact CE1-CD1 3.64Å; Y266-F448 AromaticContact CD1-CD1 3.81Å; Y266-F448 HydrophobicContact CD1-CD1 3.81Å; Y266-F448 AromaticContact CD1-CD2 3.9Å; Y266-F448 HydrophobicContact CD1-CD2 3.9Å; Y266-F448 AromaticContact CD1-CE1 3.65Å; Y266-F448 HydrophobicContact CD1-CE1 3.65Å; Y266-F448 AromaticContact CD1-CE2 3.74Å; Y266-F448 HydrophobicContact CD1-CE2 3.74Å; Y266-F448 AromaticContact CD1-CG 3.94Å; Y266-F448 HydrophobicContact CD1-CG 3.94Å; Y266-F448 AromaticContact CD1-CZ 3.61Å; Y266-F448 HydrophobicContact CD1-CZ 3.61Å; Y266-F448 HydrophobicContact CE1-CD1 4.45Å; Y266-F448 AromaticContact CE1-CE1 3.96Å; Y266-F448 HydrophobicContact CE1-CE1 3.96Å; Y266-F448 HydrophobicContact CE1-CZ 4.01Å; Y266-F448 HydrophobicContact CG-CD2 4.49Å; Y266-F448 HydrophobicContact CG-CG 4.48Å; Y266-C452 PolarHBondContact O-SG 3.02Å; Y266-Y463 CarbonylContact O-C 3.56Å; Y266-Y463 WeakPolarHBondContact O-CA 3.14Å; Y266-Y463 VanDerWaalsContact O-CB 3.25Å; Y266-Y463 WeakPolarHBondContact O-CB 3.25Å; Y266-L464 HydrophobicContact CD2-CD2 4.24Å; Y266-L464 HydrophobicContact CD2-CG 4.41Å; Y266-L464 PolarHBondContact N-O 3.19Å; Y266-L464 PolarHBondContact O-N 2.97Å; Y266-I466 HydrophobicContact CE2-CD1 3.65Å; Y266-I466 HydrophobicContact CE2-CG1 3.92Å
267	V	98.2	Very high	95.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.6	-174	-171.2	0	0	0	0	109.6	L164 L167 V265 P269 F442 L443 V444 S445 T461	L164-V267 HydrophobicContact CD1-CG2 4.26Å; L167-V267 HydrophobicContact CD2-CB 4.41Å; L167-V267 HydrophobicContact CD2-CG1 3.93Å; L167-V267 HydrophobicContact CD2-CG2 3.6Å; V265-V267 HydrophobicContact CG1-CG2 3.96Å; V267-P269 VanDerWaalsContact O-CD 3.3Å; V267-P269 WeakPolarHBondContact O-CD 3.49Å; V267-F442 HydrophobicContact CG2-CD1 4.28Å; V267-L443 PolarHBondContact N-O 2.98Å; V267-V444 HydrophobicContact CB-CG1 4.49Å; V267-V444 HydrophobicContact CB-CG2 4.2Å; V267-V444 WeakPolarHBondContact O-CA 3.21Å; V267-S445 PolarHBondContact O-N 3.44Å; V267-T461 HydrophobicContact CG1-CG2 3.64Å
268	V	97.5	Very high	95.8	Very high	17 Å²	17	34.6 Å²	34.6	10%	0.103	17%	0.174	C	C	.	.			trans	-94.5	109.8	174.5	-174.5	0	0	0	0	109	F448 C452 K462	V268-F448 HydrophobicContact CG2-CB 4.49Å; V268-C452 HydrophobicContact CG2-CB 3.55Å; V268-K462 HydrophobicContact CB-CB 4.06Å; V268-K462 HydrophobicContact CG2-CB 4.05Å; V268-K462 PolarHBondContact N-O 3.27Å
269	P	95.3	Very high	96	Very high	6 Å²	6	29 Å²	29	4%	0.039	14%	0.144	C	C	.	.			trans	-77.6	162.9	174.5	34.1	-36.2	0	0	0	111.9	D160 V267 N271 I273 V444 K446	D160-P269 VanDerWaalsContact OD1-CA 3.25Å; D160-P269 WeakPolarHBondContact OD1-CA 3.37Å; D160-P269 WeakPolarHBondContact OD1-CB 3.06Å; V267-P269 VanDerWaalsContact O-CD 3.3Å; V267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-N271 WeakPolarHBondContact CB-O 3.19Å; P269-N271 WeakPolarHBondContact CG-O 3.39Å; P269-I273 HydrophobicContact CB-CD1 3.9Å; P269-I273 HydrophobicContact CB-CG1 3.64Å; P269-I273 HydrophobicContact CG-CD1 4.48Å; P269-I273 HydrophobicContact CG-CG1 3.71Å; P269-V444 HydrophobicContact CB-CG1 3.66Å; P269-V444 HydrophobicContact CG-CG1 3.75Å; P269-K446 HydrophobicContact CG-CG 4.17Å
270	L	91	Very high	96.2	Very high	48 Å²	48	22.6 Å²	22.6	25%	0.251	11%	0.111	S	C	.	.	S	Bend	trans	-76.8	-44.8	169.5	-61.1	178.1	0	0	0	111.2	D160 K446	D160-L270 PolarHBondContact OD1-N 2.98Å; D160-L270 PolarHBondContact OD2-N 2.86Å; L270-K446 WeakPolarHBondContact O-CE 3.28Å; L270-K446 PolarHBondContact O-NZ 3.21Å
271	N	90.1	Very high	96.3	Very high	36 Å²	36	22.7 Å²	22.7	19%	0.193	11%	0.112	C	C	.	.	S	Bend	trans	-78.5	150.4	172.9	-66.2	-71.1	0	0	0	110.6	D160 P269 I273 K446 M639	D160-N271 WeakPolarHBondContact OD2-CB 3.39Å; D160-N271 PolarHBondContact OD2-N 3.28Å; D160-N271 PolarHBondContact OD2-ND2 2.97Å; P269-N271 WeakPolarHBondContact CB-O 3.19Å; P269-N271 WeakPolarHBondContact CG-O 3.39Å; N271-I273 VanDerWaalsContact C-N 3.29Å; N271-I273 HydrophobicContact CB-CG2 3.91Å; N271-I273 PolarHBondContact O-N 3.25Å; N271-K446 VanDerWaalsContact C-CE 3.48Å; N271-K446 WeakPolarHBondContact O-CE 3.31Å; N271-M639 VanDerWaalsContact OD1-CB 3.31Å; N271-M639 WeakPolarHBondContact OD1-CB 3.31Å
272	D	91.2	Very high	96.2	Very high	49 Å²	49	23 Å²	23	26%	0.262	11%	0.113	S	C	.	.			trans	-76.2	85.2	170.8	-168.2	16.8	0	0	0	110	H274 K446 R632 N636	D272-H274 IonicContact OD1-CE1 2.82Å; D272-H274 PolarHBondContact OD1-CE1 2.9Å; D272-K446 HydrophobicContact CB-CD 3.99Å; D272-R632 WeakPolarHBondContact OD2-CD 3.19Å; D272-N636 PolarHBondContact N-ND2 3.35Å; D272-N636 PolarHBondContact N-OD1 3.28Å; D272-N636 PolarHBondContact O-ND2 3.22Å
273	I	93.4	Very high	96	Very high	48 Å²	48	22.3 Å²	22.3	25%	0.246	12%	0.116	C	C	.	.			trans	-123.2	153.1	-179.9	60.1	174.4	0	0	0	109.9	D160 P269 N271 V444 S445	D160-I273 HydrophobicContact CB-CD1 4.21Å; P269-I273 HydrophobicContact CB-CD1 3.9Å; P269-I273 HydrophobicContact CB-CG1 3.64Å; P269-I273 HydrophobicContact CG-CD1 4.48Å; P269-I273 HydrophobicContact CG-CG1 3.71Å; N271-I273 VanDerWaalsContact C-N 3.29Å; N271-I273 HydrophobicContact CB-CG2 3.91Å; N271-I273 PolarHBondContact O-N 3.25Å; I273-V444 HydrophobicContact CD1-CG1 4.04Å; I273-V444 HydrophobicContact CG1-CG1 4.15Å; I273-S445 WeakPolarHBondContact O-CA 3.31Å
274	H	96	Very high	95.8	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.019	12%	0.117	C	C	.	.			trans	-129.1	108.9	176.6	-58.2	-24.8	0	0	0	108.1	D272 L342 L344 V444 S445 R632	D272-H274 IonicContact OD1-CE1 2.82Å; D272-H274 PolarHBondContact OD1-CE1 2.9Å; H274-L342 HydrophobicContact CB-CB 4.12Å; H274-L342 WeakPolarHBondContact CB-O 3.43Å; H274-L342 PolarHBondContact O-N 3.16Å; H274-L344 VanDerWaalsContact NE2-CD2 3.27Å; H274-L344 WeakPolarHBondContact NE2-CD2 3.47Å; H274-V444 VanDerWaalsContact CA-O 3.29Å; H274-V444 WeakPolarHBondContact CA-O 3.46Å; H274-S445 PolarHBondContact CE1-OG 2.92Å; H274-S445 PolarHBondContact ND1-OG 3.33Å; H274-R632 PolarHBondContact CD2-NH1 2.87Å; H274-R632 PolarHBondContact NE2-NH1 3.3Å
275	Q	97.1	Very high	95.5	Very high	57 Å²	57	24.1 Å²	24.1	27%	0.266	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	148	-173.5	-174.7	179.5	-0.5	0	0	110.8	N277 I340 V444	Q275-N277 PolarHBondContact NE2-ND2 3.04Å; Q275-N277 PolarHBondContact NE2-OD1 3.26Å; Q275-I340 CarbonylContact C-O 3.52Å; Q275-I340 WeakPolarHBondContact CA-O 3.24Å; Q275-I340 WeakPolarHBondContact CG-O 3.36Å; Q275-V444 HydrophobicContact CB-CB 4.21Å; Q275-V444 PolarHBondContact N-O 2.96Å; Q275-V444 PolarHBondContact O-N 3.13Å
276	M	98.2	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122	171.5	-179.9	173.7	-179.8	0	0	109.8	I278 S339 I340 L342 T350 I353 M354 V441 F442 L443	M276-I278 HydrophobicContact CE-CD1 3.99Å; M276-I278 HydrophobicContact CE-CG1 4.02Å; M276-I278 HydrophobicContact CG-CD1 3.83Å; M276-I278 HydrophobicContact CG-CG1 4.43Å; M276-I278 HydrophobicContact SD-CD1 4.37Å; M276-S339 CarbonylContact O-C 3.56Å; M276-S339 WeakPolarHBondContact O-CA 3.45Å; M276-I340 HydrophobicContact CB-CB 4.44Å; M276-I340 PolarHBondContact N-O 2.62Å; M276-I340 PolarHBondContact O-N 3.26Å; M276-L342 HydrophobicContact CB-CD1 3.76Å; M276-L342 HydrophobicContact CB-CG 4.18Å; M276-T350 HydrophobicContact SD-CG2 4.26Å; M276-I353 HydrophobicContact SD-CG2 4.23Å; M276-M354 HydrophobicContact CE-CG 3.38Å; M276-M354 HydrophobicContact CE-SD 3.17Å; M276-M354 WeakPolarHBondContact CE-SD 3.45Å; M276-V441 HydrophobicContact CE-CG1 3.54Å; M276-V441 HydrophobicContact CG-CG1 4.11Å; M276-F442 CarbonylContact C-O 3.55Å; M276-F442 WeakPolarHBondContact CA-O 3.47Å; M276-L443 HydrophobicContact CB-CD2 3.74Å; M276-L443 HydrophobicContact CG-CD2 3.59Å; M276-L443 HydrophobicContact SD-CD2 3.89Å
277	N	97.9	Very high	94.9	Very high	13 Å²	13	27.2 Å²	27.2	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.7	177.9	-56.7	-59.3	0	0	0	109.4	L164 Q275 L338 S339 V441 F442	L164-N277 VanDerWaalsContact CD2-ND2 3.34Å; L164-N277 WeakPolarHBondContact CD2-ND2 3.47Å; Q275-N277 PolarHBondContact NE2-ND2 3.04Å; Q275-N277 PolarHBondContact NE2-OD1 3.26Å; N277-L338 CarbonylContact C-O 3.55Å; N277-L338 WeakPolarHBondContact CA-O 3.49Å; N277-S339 VanDerWaalsContact OD1-CB 3.29Å; N277-S339 WeakPolarHBondContact OD1-CB 3.49Å; N277-S339 PolarHBondContact OD1-OG 2.96Å; N277-S339 VanDerWaalsContact OD1-OG 3.08Å; N277-V441 CarbonylContact O-C 3.15Å; N277-F442 HydrophobicContact CB-CB 4.24Å; N277-F442 PolarHBondContact N-O 2.9Å; N277-F442 PolarHBondContact O-N 3.07Å
278	I	98.2	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.1	175.6	-49.5	85.5	0	0	0	108	M276 W280 I337 L338 I340 M354 I357 R440 V441	M276-I278 HydrophobicContact CE-CD1 3.99Å; M276-I278 HydrophobicContact CE-CG1 4.02Å; M276-I278 HydrophobicContact CG-CD1 3.83Å; M276-I278 HydrophobicContact CG-CG1 4.43Å; M276-I278 HydrophobicContact SD-CD1 4.37Å; I278-W280 HydrophobicContact CB-CH2 3.75Å; I278-W280 HydrophobicContact CB-CZ2 4.24Å; I278-W280 HydrophobicContact CB-CZ3 3.92Å; I278-W280 HydrophobicContact CG2-CD2 4.07Å; I278-W280 HydrophobicContact CG2-CE3 4.06Å; I278-W280 HydrophobicContact CG2-CH2 3.33Å; I278-W280 HydrophobicContact CG2-CZ2 3.31Å; I278-W280 HydrophobicContact CG2-CZ3 3.71Å; I278-I337 CarbonylContact O-C 3.54Å; I278-I337 VanDerWaalsContact O-CA 3.3Å; I278-I337 WeakPolarHBondContact O-CA 3.4Å; I278-L338 HydrophobicContact CB-CB 4.43Å; I278-L338 HydrophobicContact CD1-CB 4.35Å; I278-L338 HydrophobicContact CD1-CD2 4.29Å; I278-L338 HydrophobicContact CD1-CG 4.34Å; I278-L338 WeakPolarHBondContact CD1-O 3.44Å; I278-L338 PolarHBondContact N-O 2.84Å; I278-L338 PolarHBondContact O-N 3.47Å; I278-I340 HydrophobicContact CD1-CD1 4.15Å; I278-M354 HydrophobicContact CD1-SD 4.43Å; I278-M354 HydrophobicContact CG1-CE 4.42Å; I278-M354 HydrophobicContact CG1-SD 3.75Å; I278-M354 HydrophobicContact CG2-CE 4.34Å; I278-I357 HydrophobicContact CD1-CD1 4.07Å; I278-R440 WeakPolarHBondContact CA-O 3.39Å; I278-V441 HydrophobicContact CG1-CG1 4.43Å; I278-V441 HydrophobicContact CG1-CG2 4.37Å; I278-V441 HydrophobicContact CG2-CG2 4.25Å
279	M	97.8	Very high	94.4	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.034	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.6	179.5	-173.9	-174	84.8	0	0	110.5	E168 W256 L336 I337 S439 R440	E168-M279 HydrophobicContact CG-SD 4.32Å; W256-M279 HydrophobicContact CD2-CE 3.71Å; W256-M279 VanDerWaalsContact CE2-CE 3.46Å; W256-M279 HydrophobicContact CE3-CE 4.36Å; W256-M279 HydrophobicContact CG-CE 3.98Å; W256-M279 HydrophobicContact CH2-CE 4.45Å; W256-M279 HydrophobicContact CH2-SD 4.44Å; W256-M279 HydrophobicContact CZ2-CE 3.86Å; W256-M279 HydrophobicContact CZ2-SD 3.99Å; M279-L336 WeakPolarHBondContact CA-O 3.36Å; M279-I337 HydrophobicContact CB-CG1 4.42Å; M279-I337 HydrophobicContact CG-CG1 4.03Å; M279-S439 WeakPolarHBondContact O-CA 3.42Å; M279-R440 PolarHBondContact N-O 3.02Å; M279-R440 PolarHBondContact O-N 3.41Å
280	W	97.9	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.9	172	-63.3	-86.9	0	0	0	110.6	I278 I282 S335 L336 L338 I357 Y358 I361 L434 T435 N438	I278-W280 HydrophobicContact CB-CH2 3.75Å; I278-W280 HydrophobicContact CB-CZ2 4.24Å; I278-W280 HydrophobicContact CB-CZ3 3.92Å; I278-W280 HydrophobicContact CG2-CD2 4.07Å; I278-W280 HydrophobicContact CG2-CE3 4.06Å; I278-W280 HydrophobicContact CG2-CH2 3.33Å; I278-W280 HydrophobicContact CG2-CZ2 3.31Å; I278-W280 HydrophobicContact CG2-CZ3 3.71Å; W280-I282 PolarHBondContact O-N 3.49Å; W280-S335 CarbonylContact O-C 3.59Å; W280-S335 WeakPolarHBondContact O-CA 3.44Å; W280-S335 WeakPolarHBondContact O-CB 3.03Å; W280-L336 HydrophobicContact CE3-CD2 3.75Å; W280-L336 HydrophobicContact CZ3-CD2 3.92Å; W280-L336 PolarHBondContact N-O 2.79Å; W280-L336 PolarHBondContact O-N 3.39Å; W280-L338 HydrophobicContact CH2-CB 4.28Å; W280-L338 HydrophobicContact CH2-CD2 4.31Å; W280-L338 HydrophobicContact CZ3-CB 3.8Å; W280-I357 HydrophobicContact CH2-CG2 4.1Å; W280-I357 HydrophobicContact CZ2-CG2 4.36Å; W280-Y358 HydrophobicContact CZ2-CE1 4.28Å; W280-I361 HydrophobicContact CZ2-CD1 4.35Å; W280-L434 HydrophobicContact CB-CD2 3.61Å; W280-L434 HydrophobicContact CD2-CB 4.44Å; W280-L434 HydrophobicContact CD2-CD2 3.7Å; W280-L434 HydrophobicContact CE3-CD2 3.85Å; W280-L434 HydrophobicContact CG-CB 4.46Å; W280-L434 HydrophobicContact CG-CD2 3.63Å; W280-T435 PolarHBondContact NE1-O 3.06Å; W280-T435 VanDerWaalsContact NE1-O 3.1Å; W280-N438 VanDerWaalsContact CD1-O 3.28Å
281	P	96.8	Very high	94.4	Very high	14 Å²	14	31 Å²	31	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	133.5	167	-23.6	34.5	0	0	0	111.1	W256 L261 N438	W256-P281 HydrophobicContact CB-CG 3.86Å; W256-P281 HydrophobicContact CD2-CG 4.21Å; W256-P281 HydrophobicContact CE3-CB 3.86Å; W256-P281 HydrophobicContact CE3-CG 3.74Å; W256-P281 HydrophobicContact CG-CG 4.33Å; W256-P281 HydrophobicContact CZ3-CB 4.44Å; L261-P281 HydrophobicContact CD2-CG 3.91Å; P281-N438 WeakPolarHBondContact CD-O 3.47Å; P281-N438 PolarHBondContact O-ND2 2.8Å
282	I	95.8	Very high	94.3	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.062	17%	0.167	C	C	.	.			trans	-131.7	158.7	174.8	64	170.8	0	0	0	110	W280 P294 V326 C334 L336 I430 C433	W280-I282 PolarHBondContact O-N 3.49Å; I282-P294 HydrophobicContact CD1-CB 4.48Å; I282-P294 HydrophobicContact CD1-CG 4.44Å; I282-V326 HydrophobicContact CD1-CG1 4.21Å; I282-C334 HydrophobicContact CG1-CB 4.04Å; I282-C334 VanDerWaalsContact CG1-SG 3.6Å; I282-C334 PolarHBondContact N-O 3.03Å; I282-C334 WeakPolarHBondContact O-CB 3.48Å; I282-L336 HydrophobicContact CD1-CB 4.36Å; I282-L336 HydrophobicContact CG2-CB 4.25Å; I282-I430 HydrophobicContact CB-CD1 4.36Å; I282-I430 HydrophobicContact CD1-CD1 4.4Å; I282-I430 HydrophobicContact CG2-CG2 4.5Å; I282-C433 HydrophobicContact CG2-CB 3.92Å
283	P	93.3	Very high	94.5	Very high	53 Å²	53	28.4 Å²	28.4	34%	0.344	16%	0.155	S	C	.	.			trans	-60.5	150.8	172.4	-22.8	34.2	0	0	0	112.6	Y285	P283-Y285 PolarHBondContact O-N 2.62Å
284	D	92.5	Very high	94.5	Very high	36 Å²	36	26.1 Å²	26.1	19%	0.193	14%	0.143	C	C	.	.			trans	-63.7	125.4	169.2	-168.3	-5.9	0	0	0	109.3	I286 R328 A331 G332	D284-I286 WeakPolarHBondContact OD1-CG1 3.45Å; D284-I286 PolarHBondContact OD1-N 3.42Å; D284-I286 VanDerWaalsContact OD1-N 3.14Å; D284-R328 VanDerWaalsContact CG-NE 3.33Å; D284-R328 IonicContact OD1-CZ 2.66Å; D284-R328 IonicContact OD1-NE 2.81Å; D284-R328 PolarHBondContact OD1-NE 3Å; D284-R328 IonicContact OD1-NH2 3.93Å; D284-R328 IonicContact OD2-CZ 3.74Å; D284-R328 IonicContact OD2-NE 3.54Å; D284-R328 PolarHBondContact OD2-NE 3.43Å; D284-R328 VanDerWaalsContact OD2-NE 3.14Å; D284-R328 IonicContact OD2-NH2 3.48Å; D284-R328 PolarHBondContact OD2-NH2 3.15Å; D284-A331 WeakPolarHBondContact OD2-CA 3.49Å; D284-G332 PolarHBondContact OD2-N 3.25Å
285	Y	90.9	Very high	94.4	Very high	49 Å²	49	28 Å²	28	19%	0.192	16%	0.157	C	C	.	.			trans	-101.6	-5.7	-173.5	66.7	-84.7	0	0	0	112.7	P283 P287 D288 Y289 P294 V326	P283-Y285 PolarHBondContact O-N 2.62Å; Y285-P287 VanDerWaalsContact C-CD 3.41Å; Y285-P287 VanDerWaalsContact C-N 3.3Å; Y285-D288 CarbonylContact O-C 3.59Å; Y285-D288 VanDerWaalsContact O-C 3.32Å; Y285-D288 PolarHBondContact O-N 3.45Å; Y285-Y289 PolarHBondContact O-N 3.21Å; Y285-P294 HydrophobicContact CD1-CG 3.82Å; Y285-P294 HydrophobicContact CD2-CG 4.08Å; Y285-P294 HydrophobicContact CE1-CG 4.49Å; Y285-P294 HydrophobicContact CG-CG 3.59Å; Y285-V326 HydrophobicContact CD1-CG1 4.38Å; Y285-V326 HydrophobicContact CE1-CG1 3.64Å
286	I	92.2	Very high	94.3	Very high	17 Å²	17	26 Å²	26	9%	0.087	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-56.3	-36.6	179.9	-68	-62.1	0	0	0	112.8	D284 D288 Y289 R328 L406 Y407	D284-I286 WeakPolarHBondContact OD1-CG1 3.45Å; D284-I286 PolarHBondContact OD1-N 3.42Å; D284-I286 VanDerWaalsContact OD1-N 3.14Å; I286-D288 PolarHBondContact O-N 3.15Å; I286-Y289 WeakPolarHBondContact O-CD1 3.37Å; I286-Y289 PolarHBondContact O-N 3.02Å; I286-R328 VanDerWaalsContact CG1-NE 3.28Å; I286-L406 VanDerWaalsContact CG2-O 3.23Å; I286-L406 WeakPolarHBondContact CG2-O 3.45Å; I286-Y407 HydrophobicContact CD1-CE1 4.05Å
287	P	91.6	Very high	94.3	Very high	100 Å²	100	26 Å²	26	65%	0.649	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-59	-27.4	174.5	-27	37	0	0	0	114.6	Y285	Y285-P287 VanDerWaalsContact C-CD 3.41Å; Y285-P287 VanDerWaalsContact C-N 3.3Å
288	D	92.7	Very high	94.2	Very high	79 Å²	79	26.4 Å²	26.4	42%	0.422	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-115.1	30.1	-176.9	-54.9	-64.2	0	0	0	111.4	Y285 I286 T290 A291 L426	Y285-D288 CarbonylContact O-C 3.59Å; Y285-D288 VanDerWaalsContact O-C 3.32Å; Y285-D288 PolarHBondContact O-N 3.45Å; I286-D288 PolarHBondContact O-N 3.15Å; D288-T290 PolarHBondContact O-N 2.86Å; D288-A291 WeakPolarHBondContact O-CB 3.4Å; D288-A291 PolarHBondContact O-N 3.35Å; D288-L426 HydrophobicContact CB-CD2 3.75Å
289	Y	93.2	Very high	94	Very high	28 Å²	28	27 Å²	27	11%	0.11	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27.5	-172.1	67.3	-86.5	0	0	0	114.4	Y285 I286 A291 Q292 Y407 D411	Y285-Y289 PolarHBondContact O-N 3.21Å; I286-Y289 WeakPolarHBondContact O-CD1 3.37Å; I286-Y289 PolarHBondContact O-N 3.02Å; Y289-A291 PolarHBondContact O-N 2.82Å; Y289-Q292 WeakPolarHBondContact O-CG 3.38Å; Y289-Q292 PolarHBondContact O-N 3.43Å; Y289-Y407 AromaticContact CD1-CD1 3.98Å; Y289-Y407 HydrophobicContact CD1-CD1 3.98Å; Y289-Y407 AromaticContact CD2-CD1 3.67Å; Y289-Y407 HydrophobicContact CD2-CD1 3.67Å; Y289-Y407 HydrophobicContact CD2-CE1 4.04Å; Y289-Y407 HydrophobicContact CE1-CD1 4.31Å; Y289-Y407 HydrophobicContact CE2-CD1 4.07Å; Y289-Y407 AromaticContact CG-CD1 3.62Å; Y289-Y407 HydrophobicContact CG-CD1 3.62Å; Y289-Y407 AromaticContact CG-CE1 3.89Å; Y289-Y407 HydrophobicContact CG-CE1 3.89Å; Y289-D411 HydrophobicContact CE2-CB 4.11Å; Y289-D411 PolarHBondContact OH-OD2 2.86Å
290	T	92.3	Very high	94	Very high	43 Å²	43	26.8 Å²	26.8	26%	0.264	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-64.8	-21.2	178.5	54.4	0	0	0	0	113.1	D288 A419 T420 V421	D288-T290 PolarHBondContact O-N 2.86Å; T290-A419 CarbonylContact O-C 3.48Å; T290-A419 WeakPolarHBondContact O-CA 3.36Å; T290-T420 PolarHBondContact O-N 3.36Å; T290-V421 PolarHBondContact O-N 2.88Å; T290-V421 VanDerWaalsContact O-N 3.1Å
291	A	92.7	Very high	94	Very high	7 Å²	7	26.9 Å²	26.9	6%	0.058	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-85.2	-26.7	176	0	0	0	0	0	113.6	D288 Y289 A293 V421 D423 L426	D288-A291 WeakPolarHBondContact O-CB 3.4Å; D288-A291 PolarHBondContact O-N 3.35Å; Y289-A291 PolarHBondContact O-N 2.82Å; A291-A293 PolarHBondContact O-N 3.14Å; A291-V421 VanDerWaalsContact CA-O 3.27Å; A291-V421 WeakPolarHBondContact CA-O 3.45Å; A291-D423 HydrophobicContact CB-CB 4.07Å; A291-L426 HydrophobicContact CB-CD2 3.85Å
292	Q	89.5	Confident	94	Very high	28 Å²	28	26.5 Å²	26.5	13%	0.131	15%	0.151	C	C	.	.			trans	45.6	36.1	-175.3	-61.1	-161.3	21.5	0	0	114.6	Y289 P294 S295 Y296 F417 L418 A419	Y289-Q292 WeakPolarHBondContact O-CG 3.38Å; Y289-Q292 PolarHBondContact O-N 3.43Å; Q292-P294 VanDerWaalsContact C-N 3.33Å; Q292-S295 WeakPolarHBondContact O-CA 3.49Å; Q292-S295 VanDerWaalsContact O-CB 3.32Å; Q292-S295 WeakPolarHBondContact O-CB 3.48Å; Q292-S295 PolarHBondContact O-N 3.32Å; Q292-S295 PolarHBondContact OE1-OG 2.78Å; Q292-Y296 PolarHBondContact O-N 3.11Å; Q292-F417 PolarHBondContact NE2-O 2.88Å; Q292-F417 VanDerWaalsContact NE2-O 3.1Å; Q292-L418 PolarHBondContact NE2-O 3.41Å; Q292-A419 HydrophobicContact CB-CB 3.98Å; Q292-A419 HydrophobicContact CG-CB 3.93Å
293	A	94.3	Very high	94	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-55.5	-38.2	-176.1	0	0	0	0	0	114.3	A291 S295 Y296 V297 L426 I427 I430	A291-A293 PolarHBondContact O-N 3.14Å; A293-S295 PolarHBondContact O-N 3.33Å; A293-Y296 WeakPolarHBondContact O-CB 3.41Å; A293-Y296 PolarHBondContact O-N 3.05Å; A293-V297 PolarHBondContact O-N 2.85Å; A293-L426 HydrophobicContact CB-CB 3.99Å; A293-L426 HydrophobicContact CB-CD2 3.62Å; A293-L426 HydrophobicContact CB-CG 3.53Å; A293-I427 HydrophobicContact CB-CG1 3.82Å; A293-I430 HydrophobicContact CB-CG1 4.36Å
294	P	94.5	Very high	94.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-37.9	172.8	-25.8	37.3	0	0	0	113.6	I282 Y285 Q292 Y296 V297 T298 V326 I430	I282-P294 HydrophobicContact CD1-CB 4.48Å; I282-P294 HydrophobicContact CD1-CG 4.44Å; Y285-P294 HydrophobicContact CD1-CG 3.82Å; Y285-P294 HydrophobicContact CD2-CG 4.08Å; Y285-P294 HydrophobicContact CE1-CG 4.49Å; Y285-P294 HydrophobicContact CG-CG 3.59Å; Q292-P294 VanDerWaalsContact C-N 3.33Å; P294-Y296 VanDerWaalsContact C-N 3.3Å; P294-Y296 PolarHBondContact O-N 3.02Å; P294-V297 PolarHBondContact O-N 2.76Å; P294-V297 VanDerWaalsContact O-N 3.14Å; P294-T298 WeakPolarHBondContact O-CG2 3.46Å; P294-T298 PolarHBondContact O-N 3.23Å; P294-T298 PolarHBondContact O-OG1 3.49Å; P294-V326 HydrophobicContact CB-CG2 3.61Å; P294-I430 HydrophobicContact CG-CD1 4.25Å; P294-I430 HydrophobicContact CG-CG1 4.24Å
295	S	92.8	Very high	94.1	Very high	44 Å²	44	24.6 Å²	24.6	31%	0.308	14%	0.137	S	C	.	.	H	α-helix	trans	-59.7	-42.3	177.5	-54.7	0	0	0	0	111.3	Q292 A293 V297 T298 H299	Q292-S295 WeakPolarHBondContact O-CA 3.49Å; Q292-S295 VanDerWaalsContact O-CB 3.32Å; Q292-S295 WeakPolarHBondContact O-CB 3.48Å; Q292-S295 PolarHBondContact O-N 3.32Å; Q292-S295 PolarHBondContact OE1-OG 2.78Å; A293-S295 PolarHBondContact O-N 3.33Å; S295-V297 VanDerWaalsContact C-N 3.34Å; S295-V297 PolarHBondContact O-N 3.29Å; S295-T298 WeakPolarHBondContact CA-OG1 3.35Å; S295-T298 PolarHBondContact O-N 3.02Å; S295-T298 PolarHBondContact O-OG1 2.97Å; S295-H299 VanDerWaalsContact O-CB 3.31Å; S295-H299 WeakPolarHBondContact O-CB 3.29Å; S295-H299 PolarHBondContact O-N 3.37Å
296	Y	95.4	Very high	94.2	Very high	13 Å²	13	32.2 Å²	32.2	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-56.9	-45.9	174.3	-178	-82.5	0	0	0	112	Q292 A293 P294 L300 Q370 I373 F374 I427	Q292-Y296 PolarHBondContact O-N 3.11Å; A293-Y296 WeakPolarHBondContact O-CB 3.41Å; A293-Y296 PolarHBondContact O-N 3.05Å; P294-Y296 VanDerWaalsContact C-N 3.3Å; P294-Y296 PolarHBondContact O-N 3.02Å; Y296-L300 HydrophobicContact CD1-CD1 3.97Å; Y296-L300 HydrophobicContact CE1-CD1 3.41Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.41Å; Y296-L300 HydrophobicContact CE1-CG 4.47Å; Y296-L300 PolarHBondContact O-N 2.72Å; Y296-Q370 PolarHBondContact OH-N 3.3Å; Y296-Q370 PolarHBondContact OH-O 3.25Å; Y296-I373 HydrophobicContact CD2-CG2 4.35Å; Y296-I373 HydrophobicContact CE2-CB 3.85Å; Y296-I373 HydrophobicContact CE2-CG2 3.77Å; Y296-F374 HydrophobicContact CD2-CB 4.35Å; Y296-F374 HydrophobicContact CE2-CB 4.28Å; Y296-I427 HydrophobicContact CD1-CD1 3.92Å; Y296-I427 HydrophobicContact CD1-CG1 4.17Å; Y296-I427 HydrophobicContact CD1-CG2 3.55Å; Y296-I427 HydrophobicContact CD2-CD1 3.97Å; Y296-I427 HydrophobicContact CE1-CD1 4.27Å; Y296-I427 HydrophobicContact CE1-CG2 3.78Å; Y296-I427 HydrophobicContact CE2-CD1 4.31Å; Y296-I427 HydrophobicContact CG-CD1 3.77Å; Y296-I427 HydrophobicContact CG-CG1 4.22Å; Y296-I427 HydrophobicContact CG-CG2 4.41Å
297	V	96.9	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.6	-41.8	-179.6	177.1	0	0	0	0	111.4	A293 P294 S295 H299 L300 L301 L336 I427 I430 L431 L434	A293-V297 PolarHBondContact O-N 2.85Å; P294-V297 PolarHBondContact O-N 2.76Å; P294-V297 VanDerWaalsContact O-N 3.14Å; S295-V297 VanDerWaalsContact C-N 3.34Å; S295-V297 PolarHBondContact O-N 3.29Å; V297-H299 VanDerWaalsContact C-N 3.35Å; V297-L300 PolarHBondContact O-N 3.34Å; V297-L301 HydrophobicContact CG1-CD1 3.84Å; V297-L301 HydrophobicContact CG1-CG 4.48Å; V297-L301 PolarHBondContact O-N 3.2Å; V297-L336 HydrophobicContact CB-CD1 4.44Å; V297-L336 HydrophobicContact CG1-CD1 3.86Å; V297-I427 HydrophobicContact CG2-CG2 4.19Å; V297-I430 HydrophobicContact CB-CG2 4.27Å; V297-I430 HydrophobicContact CG1-CG2 4.39Å; V297-I430 HydrophobicContact CG2-CB 4.24Å; V297-I430 HydrophobicContact CG2-CG2 3.95Å; V297-L431 HydrophobicContact CG1-CD2 3.76Å; V297-L431 HydrophobicContact CG2-CD2 3.98Å; V297-L431 HydrophobicContact CG2-CG 3.91Å; V297-L434 HydrophobicContact CG1-CD1 3.78Å
298	T	96.4	Very high	94.6	Very high	23 Å²	23	27.3 Å²	27.3	14%	0.141	14%	0.138	C	C	.	.	H	α-helix	trans	-68.3	-33.8	177.7	54.2	0	0	0	0	112.6	P294 S295 L300 G302 V326 L336	P294-T298 WeakPolarHBondContact O-CG2 3.46Å; P294-T298 PolarHBondContact O-N 3.23Å; P294-T298 PolarHBondContact O-OG1 3.49Å; S295-T298 WeakPolarHBondContact CA-OG1 3.35Å; S295-T298 PolarHBondContact O-N 3.02Å; S295-T298 PolarHBondContact O-OG1 2.97Å; T298-L300 VanDerWaalsContact C-N 3.33Å; T298-L300 PolarHBondContact O-N 3.18Å; T298-G302 WeakPolarHBondContact O-CA 3.48Å; T298-G302 PolarHBondContact O-N 2.51Å; T298-V326 HydrophobicContact CG2-CG2 3.9Å; T298-L336 HydrophobicContact CG2-CD1 3.83Å; T298-L336 HydrophobicContact CG2-CG 4.17Å
299	H	95.3	Very high	94.8	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.056	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-46.2	173.4	169.2	95.8	0	0	0	110.7	S295 V297 H303 E377	S295-H299 VanDerWaalsContact O-CB 3.31Å; S295-H299 WeakPolarHBondContact O-CB 3.29Å; S295-H299 PolarHBondContact O-N 3.37Å; V297-H299 VanDerWaalsContact C-N 3.35Å; H299-H303 AromaticContact CE1-CD2 3.87Å; H299-H303 AromaticContact NE2-CD2 3.6Å; H299-H303 WeakPolarHBondContact O-CB 3.22Å; H299-H303 PolarHBondContact O-N 3.48Å; H299-E377 VanDerWaalsContact CE1-CD 3.46Å; H299-E377 IonicContact CE1-OE1 2.87Å; H299-E377 PolarHBondContact CE1-OE1 3.03Å; H299-E377 IonicContact CE1-OE2 2.95Å; H299-E377 IonicContact CG-OE2 3.55Å; H299-E377 IonicContact ND1-OE1 2.75Å; H299-E377 PolarHBondContact ND1-OE1 2.71Å; H299-E377 VanDerWaalsContact ND1-OE1 3.08Å; H299-E377 IonicContact ND1-OE2 2.8Å; H299-E377 PolarHBondContact ND1-OE2 2.92Å
300	L	97.2	Very high	95	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-70.9	-46.9	-179.9	-68	172.6	0	0	0	112.9	Y296 V297 T298 G302 H303 Y360 L364 I373 F487 P488	Y296-L300 HydrophobicContact CD1-CD1 3.97Å; Y296-L300 HydrophobicContact CE1-CD1 3.41Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.41Å; Y296-L300 HydrophobicContact CE1-CG 4.47Å; Y296-L300 PolarHBondContact O-N 2.72Å; V297-L300 PolarHBondContact O-N 3.34Å; T298-L300 VanDerWaalsContact C-N 3.33Å; T298-L300 PolarHBondContact O-N 3.18Å; L300-G302 VanDerWaalsContact C-N 3.31Å; L300-G302 PolarHBondContact O-N 2.87Å; L300-H303 WeakPolarHBondContact O-CB 3.36Å; L300-H303 PolarHBondContact O-N 3.39Å; L300-Y360 HydrophobicContact CB-CE1 4.36Å; L300-Y360 PolarHBondContact O-OH 3.48Å; L300-L364 HydrophobicContact CB-CD1 4.18Å; L300-L364 HydrophobicContact CD1-CD1 4.17Å; L300-L364 HydrophobicContact CD1-CD2 3.92Å; L300-I373 HydrophobicContact CD2-CD1 3.85Å; L300-I373 HydrophobicContact CD2-CG2 4.49Å; L300-F487 HydrophobicContact CD1-CE1 4.37Å; L300-F487 HydrophobicContact CD2-CD1 4.18Å; L300-P488 HydrophobicContact CD2-CG 4.22Å
301	L	97.4	Very high	95.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-31.9	180	-72	172	0	0	0	112.7	V297 L309 L322 C324 L336 Y360 I361 L434	V297-L301 HydrophobicContact CG1-CD1 3.84Å; V297-L301 HydrophobicContact CG1-CG 4.48Å; V297-L301 PolarHBondContact O-N 3.2Å; L301-L309 HydrophobicContact CD2-CD1 4.05Å; L301-L322 WeakPolarHBondContact O-CD2 3.09Å; L301-C324 HydrophobicContact CB-CB 4.07Å; L301-L336 HydrophobicContact CD1-CD2 4.05Å; L301-Y360 HydrophobicContact CD2-CD1 3.79Å; L301-Y360 HydrophobicContact CD2-CE1 4.31Å; L301-I361 HydrophobicContact CD2-CG1 4.1Å; L301-L434 HydrophobicContact CD1-CD1 3.71Å
302	G	96.8	Very high	95.3	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.5	178.5	0	0	0	0	0	114.8	T298 L300 Y573	T298-G302 WeakPolarHBondContact O-CA 3.48Å; T298-G302 PolarHBondContact O-N 2.51Å; L300-G302 VanDerWaalsContact C-N 3.31Å; L300-G302 PolarHBondContact O-N 2.87Å; G302-Y573 PolarHBondContact O-OH 2.75Å
303	H	96.3	Very high	95.6	Very high	6 Å²	6	20 Å²	20	3%	0.028	10%	0.099	C	C	.	.			trans	-65.3	144.4	-176.8	-151.5	-87.1	0	0	0	111	H299 L300 S305 S308 Y573	H299-H303 AromaticContact CE1-CD2 3.87Å; H299-H303 AromaticContact NE2-CD2 3.6Å; H299-H303 WeakPolarHBondContact O-CB 3.22Å; H299-H303 PolarHBondContact O-N 3.48Å; L300-H303 WeakPolarHBondContact O-CB 3.36Å; L300-H303 PolarHBondContact O-N 3.39Å; H303-S305 WeakPolarHBondContact CE1-CB 3.46Å; H303-S305 PolarHBondContact CE1-OG 2.99Å; H303-S305 WeakPolarHBondContact ND1-CB 3.3Å; H303-S305 PolarHBondContact ND1-N 3.32Å; H303-S305 PolarHBondContact ND1-OG 2.85Å; H303-S308 WeakPolarHBondContact O-CB 3.3Å; H303-S308 PolarHBondContact O-OG 2.95Å; H303-Y573 HydrophobicContact CB-CE1 4.44Å; H303-Y573 AromaticContact CD2-CE1 3.59Å; H303-Y573 AromaticContact CE1-CD1 3.78Å; H303-Y573 AromaticContact CE1-CE1 3.86Å; H303-Y573 AromaticContact CG-CE1 3.78Å; H303-Y573 AromaticContact ND1-CE1 3.95Å; H303-Y573 AromaticContact NE2-CD1 3.92Å; H303-Y573 AromaticContact NE2-CE1 3.64Å
304	E	95.5	Very high	95.6	Very high	41 Å²	41	20.8 Å²	20.8	19%	0.192	10%	0.102	C	C	.	.			trans	-118	-0.4	-175.5	-53.3	-173.5	-151.4	0	0	114.5	L310 N569 Y573	E304-L310 HydrophobicContact CB-CD2 3.93Å; E304-L310 HydrophobicContact CG-CD2 3.59Å; E304-N569 PolarHBondContact OE2-ND2 3.43Å; E304-N569 PolarHBondContact OE2-OD1 2.87Å; E304-Y573 HydrophobicContact CB-CD1 4.17Å; E304-Y573 HydrophobicContact CB-CD2 3.48Å; E304-Y573 VanDerWaalsContact CB-CD2 3.48Å; E304-Y573 HydrophobicContact CB-CE1 4.5Å; E304-Y573 HydrophobicContact CB-CE2 3.85Å; E304-Y573 HydrophobicContact CB-CG 3.64Å; E304-Y573 HydrophobicContact CG-CD2 3.54Å; E304-Y573 HydrophobicContact CG-CE2 3.44Å; E304-Y573 VanDerWaalsContact CG-CE2 3.44Å; E304-Y573 HydrophobicContact CG-CG 4.2Å
305	S	93.2	Very high	95.5	Very high	14 Å²	14	26 Å²	26	10%	0.098	13%	0.13	C	C	.	.	S	Bend	trans	-69	170.4	174.8	73.5	0	0	0	0	112.7	H303 G307 S308	H303-S305 WeakPolarHBondContact CE1-CB 3.46Å; H303-S305 PolarHBondContact CE1-OG 2.99Å; H303-S305 WeakPolarHBondContact ND1-CB 3.3Å; H303-S305 PolarHBondContact ND1-N 3.32Å; H303-S305 PolarHBondContact ND1-OG 2.85Å; S305-G307 PolarHBondContact O-N 3.13Å; S305-S308 WeakPolarHBondContact O-CB 3.42Å; S305-S308 PolarHBondContact O-N 2.65Å; S305-S308 VanDerWaalsContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 2.89Å
306	R	92.6	Very high	95.5	Very high	209 Å²	209	25.1 Å²	25.1	79%	0.789	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.7	135.4	168.1	-172.3	178.2	-177.7	-177.5	2.5	111.9	S308	R306-S308 VanDerWaalsContact C-N 3.32Å
307	G	93.9	Very high	95.4	Very high	12 Å²	12	24.9 Å²	24.9	12%	0.124	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-3.6	-179	0	0	0	0	0	114.9	S305 L485 R486	S305-G307 PolarHBondContact O-N 3.13Å; G307-L485 WeakPolarHBondContact O-CA 3.4Å; G307-R486 PolarHBondContact O-N 3.18Å
308	S	96.9	Very high	95.4	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	-77.1	168.2	172.5	66.1	0	0	0	0	113.2	H303 S305 R306 L310 S311 L312	H303-S308 WeakPolarHBondContact O-CB 3.3Å; H303-S308 PolarHBondContact O-OG 2.95Å; S305-S308 WeakPolarHBondContact O-CB 3.42Å; S305-S308 PolarHBondContact O-N 2.65Å; S305-S308 VanDerWaalsContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 2.89Å; R306-S308 VanDerWaalsContact C-N 3.32Å; S308-L310 VanDerWaalsContact C-N 3.33Å; S308-L310 PolarHBondContact O-N 3.43Å; S308-S311 PolarHBondContact O-N 3.14Å; S308-S311 WeakPolarHBondContact OG-CB 3.28Å; S308-S311 PolarHBondContact OG-N 3.02Å; S308-S311 VanDerWaalsContact OG-N 3.1Å; S308-L312 PolarHBondContact O-N 3.31Å; S308-L312 VanDerWaalsContact O-N 3.16Å
309	L	97.9	Very high	95.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-56.5	-45.2	169.5	-74.1	171.5	0	0	0	111.9	L301 S311 L312 F313 L322 I357 Y360 L485	L301-L309 HydrophobicContact CD2-CD1 4.05Å; L309-S311 PolarHBondContact O-N 3.25Å; L309-L312 PolarHBondContact O-N 3.19Å; L309-F313 HydrophobicContact CB-CD2 4.49Å; L309-F313 HydrophobicContact CB-CE2 3.95Å; L309-F313 HydrophobicContact CB-CZ 4.31Å; L309-F313 HydrophobicContact CD2-CE2 4.32Å; L309-F313 HydrophobicContact CD2-CZ 3.87Å; L309-F313 WeakPolarHBondContact O-CD2 3.33Å; L309-F313 WeakPolarHBondContact O-CG 3.28Å; L309-F313 PolarHBondContact O-N 3.24Å; L309-L322 HydrophobicContact CB-CD1 4.01Å; L309-I357 HydrophobicContact CD1-CG1 4.3Å; L309-I357 HydrophobicContact CD2-CG1 4.35Å; L309-Y360 HydrophobicContact CD1-CD1 4.18Å; L309-Y360 HydrophobicContact CD1-CG 4.16Å; L309-Y360 HydrophobicContact CD2-CD2 4.41Å; L309-Y360 HydrophobicContact CD2-CG 4.19Å; L309-Y360 HydrophobicContact CG-CD1 4.35Å; L309-Y360 HydrophobicContact CG-CD2 4.15Å; L309-Y360 HydrophobicContact CG-CG 3.94Å; L309-L485 HydrophobicContact CD2-CD1 4.31Å; L309-L485 HydrophobicContact CD2-CD2 4.19Å
310	L	96.9	Very high	95.2	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-42.4	-179.4	-177.9	58.7	0	0	0	111.8	E304 S308 L312 F313 K314 L322	E304-L310 HydrophobicContact CB-CD2 3.93Å; E304-L310 HydrophobicContact CG-CD2 3.59Å; S308-L310 VanDerWaalsContact C-N 3.33Å; S308-L310 PolarHBondContact O-N 3.43Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L310-L312 PolarHBondContact O-N 3.02Å; L310-F313 PolarHBondContact O-N 3.39Å; L310-K314 HydrophobicContact CD1-CD 4.37Å; L310-K314 HydrophobicContact CD1-CG 3.97Å; L310-K314 HydrophobicContact CG-CD 4.26Å; L310-K314 HydrophobicContact CG-CG 4.25Å; L310-K314 WeakPolarHBondContact O-CB 3.14Å; L310-K314 WeakPolarHBondContact O-CG 3.33Å; L310-K314 PolarHBondContact O-N 3.27Å; L310-L322 HydrophobicContact CB-CB 4.14Å; L310-L322 HydrophobicContact CD1-CB 3.89Å; L310-L322 HydrophobicContact CD2-CB 4.45Å; L310-L322 HydrophobicContact CG-CB 4.37Å
311	S	95.2	Very high	95.1	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-56.9	-48.4	176.4	-178.7	0	0	0	0	111	S308 L309 F313 K314 N315 E570	S308-S311 PolarHBondContact O-N 3.14Å; S308-S311 WeakPolarHBondContact OG-CB 3.28Å; S308-S311 PolarHBondContact OG-N 3.02Å; S308-S311 VanDerWaalsContact OG-N 3.1Å; L309-S311 PolarHBondContact O-N 3.25Å; S311-F313 PolarHBondContact O-N 3.29Å; S311-K314 PolarHBondContact O-N 3.19Å; S311-N315 WeakPolarHBondContact O-CB 3.38Å; S311-N315 PolarHBondContact O-N 3.14Å; S311-N315 PolarHBondContact O-ND2 3.22Å; S311-E570 WeakPolarHBondContact CB-OE1 3.45Å; S311-E570 PolarHBondContact OG-OE1 3.23Å
312	L	96.1	Very high	95	Very high	22 Å²	22	32.8 Å²	32.8	12%	0.115	16%	0.155	C	C	.	.	H	α-helix	trans	-59.3	-46	176.1	-177.2	65.5	0	0	0	112	S308 L309 L310 N315 A316 N356 E484 L485	S308-L312 PolarHBondContact O-N 3.31Å; S308-L312 VanDerWaalsContact O-N 3.16Å; L309-L312 PolarHBondContact O-N 3.19Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L310-L312 PolarHBondContact O-N 3.02Å; L312-N315 PolarHBondContact O-N 3.07Å; L312-A316 WeakPolarHBondContact O-CB 3.49Å; L312-A316 PolarHBondContact O-N 3.16Å; L312-N356 HydrophobicContact CD2-CB 4.01Å; L312-E484 HydrophobicContact CD1-CB 4.45Å; L312-E484 VanDerWaalsContact CD1-OE2 3.24Å; L312-E484 WeakPolarHBondContact CD1-OE2 3.26Å; L312-L485 HydrophobicContact CB-CD2 4.26Å; L312-L485 HydrophobicContact CD2-CD1 4.47Å; L312-L485 HydrophobicContact CD2-CD2 3.91Å; L312-L485 HydrophobicContact CD2-CG 4.26Å
313	F	96.5	Very high	95.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.3	-35.4	-177.9	-58.9	-24.5	0	0	0	113.5	L309 L310 S311 A316 G317 W318 A319 L322 I340 I353 N356 I357	L309-F313 HydrophobicContact CB-CD2 4.49Å; L309-F313 HydrophobicContact CB-CE2 3.95Å; L309-F313 HydrophobicContact CB-CZ 4.31Å; L309-F313 HydrophobicContact CD2-CE2 4.32Å; L309-F313 HydrophobicContact CD2-CZ 3.87Å; L309-F313 WeakPolarHBondContact O-CD2 3.33Å; L309-F313 WeakPolarHBondContact O-CG 3.28Å; L309-F313 PolarHBondContact O-N 3.24Å; L310-F313 PolarHBondContact O-N 3.39Å; S311-F313 PolarHBondContact O-N 3.29Å; F313-A316 PolarHBondContact O-N 3.41Å; F313-G317 PolarHBondContact O-N 2.79Å; F313-W318 AromaticContact CD1-CE3 3.92Å; F313-W318 HydrophobicContact CD1-CE3 3.92Å; F313-W318 HydrophobicContact CD1-CZ3 4.4Å; F313-W318 HydrophobicContact CE1-CE3 4.46Å; F313-W318 PolarHBondContact O-N 2.96Å; F313-A319 HydrophobicContact CB-CB 3.73Å; F313-A319 PolarHBondContact O-N 3.33Å; F313-L322 HydrophobicContact CD2-CD1 4.23Å; F313-L322 HydrophobicContact CE2-CD1 4.08Å; F313-I340 HydrophobicContact CE2-CD1 4.05Å; F313-I353 HydrophobicContact CD1-CG1 4.48Å; F313-I353 HydrophobicContact CE1-CB 4.46Å; F313-I353 HydrophobicContact CE1-CG1 4.35Å; F313-I353 HydrophobicContact CE1-CG2 4.27Å; F313-I353 HydrophobicContact CE2-CG2 4.01Å; F313-I353 HydrophobicContact CZ-CB 4.43Å; F313-I353 HydrophobicContact CZ-CG2 3.79Å; F313-N356 HydrophobicContact CE1-CB 3.73Å; F313-N356 HydrophobicContact CZ-CB 4.11Å; F313-I357 HydrophobicContact CE2-CG1 4.48Å; F313-I357 HydrophobicContact CZ-CG1 4.13Å
314	K	93.7	Very high	95.1	Very high	16 Å²	16	36.1 Å²	36.1	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-46.3	173.9	-79.4	-170.4	177.7	-166.6	0	111.1	L310 S311 A316 G317 N320 D566	L310-K314 HydrophobicContact CD1-CD 4.37Å; L310-K314 HydrophobicContact CD1-CG 3.97Å; L310-K314 HydrophobicContact CG-CD 4.26Å; L310-K314 HydrophobicContact CG-CG 4.25Å; L310-K314 WeakPolarHBondContact O-CB 3.14Å; L310-K314 WeakPolarHBondContact O-CG 3.33Å; L310-K314 PolarHBondContact O-N 3.27Å; S311-K314 PolarHBondContact O-N 3.19Å; K314-A316 VanDerWaalsContact C-N 3.26Å; K314-A316 PolarHBondContact O-N 3.34Å; K314-G317 WeakPolarHBondContact O-CA 3.3Å; K314-G317 PolarHBondContact O-N 2.92Å; K314-N320 WeakPolarHBondContact CE-O 3.25Å; K314-D566 WeakPolarHBondContact CE-OD1 3.48Å; K314-D566 IonicContact NZ-OD1 3.31Å; K314-D566 PolarHBondContact NZ-OD1 3.36Å
315	N	92.3	Very high	95.2	Very high	111 Å²	111	35.6 Å²	35.6	59%	0.594	19%	0.187	S	C	*	.	H	α-helix	trans	-62.6	-32.7	178.1	-71.4	-29.4	0	0	0	112.6	S311 L312 G317	S311-N315 WeakPolarHBondContact O-CB 3.38Å; S311-N315 PolarHBondContact O-N 3.14Å; S311-N315 PolarHBondContact O-ND2 3.22Å; L312-N315 PolarHBondContact O-N 3.07Å; N315-G317 VanDerWaalsContact C-N 3.29Å
316	A	93.6	Very high	95.3	Very high	26 Å²	26	37.2 Å²	37.2	22%	0.215	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.9	174	0	0	0	0	0	113.8	L312 F313 K314 W318 K345	L312-A316 WeakPolarHBondContact O-CB 3.49Å; L312-A316 PolarHBondContact O-N 3.16Å; F313-A316 PolarHBondContact O-N 3.41Å; K314-A316 VanDerWaalsContact C-N 3.26Å; K314-A316 PolarHBondContact O-N 3.34Å; A316-W318 HydrophobicContact CB-CD2 3.46Å; A316-W318 VanDerWaalsContact CB-CD2 3.46Å; A316-W318 HydrophobicContact CB-CE3 3.84Å; A316-W318 HydrophobicContact CB-CG 3.8Å; A316-W318 HydrophobicContact CB-CH2 4.28Å; A316-W318 HydrophobicContact CB-CZ2 3.96Å; A316-W318 HydrophobicContact CB-CZ3 4.23Å; A316-K345 PolarHBondContact O-NZ 3.5Å
317	G	93.7	Very high	95.4	Very high	8 Å²	8	29.1 Å²	29.1	8%	0.082	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	29.7	-174.2	0	0	0	0	0	113.2	F313 K314 N315 T343	F313-G317 PolarHBondContact O-N 2.79Å; K314-G317 WeakPolarHBondContact O-CA 3.3Å; K314-G317 PolarHBondContact O-N 2.92Å; N315-G317 VanDerWaalsContact C-N 3.29Å; G317-T343 WeakPolarHBondContact O-CG2 3.45Å; G317-T343 PolarHBondContact O-OG1 3.3Å
318	W	96.2	Very high	95.3	Very high	39 Å²	39	30.8 Å²	30.8	15%	0.148	17%	0.174	C	C	.	.	S	Bend	trans	-98.4	-31.8	-176.2	-64.1	-16.1	0	0	0	113.6	F313 A316 T343 G346 K349 E352 I353 N356	F313-W318 AromaticContact CD1-CE3 3.92Å; F313-W318 HydrophobicContact CD1-CE3 3.92Å; F313-W318 HydrophobicContact CD1-CZ3 4.4Å; F313-W318 HydrophobicContact CE1-CE3 4.46Å; F313-W318 PolarHBondContact O-N 2.96Å; A316-W318 HydrophobicContact CB-CD2 3.46Å; A316-W318 VanDerWaalsContact CB-CD2 3.46Å; A316-W318 HydrophobicContact CB-CE3 3.84Å; A316-W318 HydrophobicContact CB-CG 3.8Å; A316-W318 HydrophobicContact CB-CH2 4.28Å; A316-W318 HydrophobicContact CB-CZ2 3.96Å; A316-W318 HydrophobicContact CB-CZ3 4.23Å; W318-T343 PolarHBondContact O-N 2.89Å; W318-T343 PolarHBondContact O-OG1 3.47Å; W318-G346 VanDerWaalsContact O-CA 3.29Å; W318-G346 WeakPolarHBondContact O-CA 3.4Å; W318-K349 HydrophobicContact CD2-CB 4.21Å; W318-K349 HydrophobicContact CG-CB 4.39Å; W318-K349 HydrophobicContact CZ2-CB 4.42Å; W318-K349 HydrophobicContact CZ2-CD 4.48Å; W318-K349 HydrophobicContact CZ2-CG 4.43Å; W318-E352 HydrophobicContact CH2-CB 3.89Å; W318-E352 HydrophobicContact CZ2-CB 4.5Å; W318-E352 HydrophobicContact CZ3-CB 4.18Å; W318-I353 HydrophobicContact CB-CD1 4.15Å; W318-I353 HydrophobicContact CB-CG1 4.48Å; W318-I353 HydrophobicContact CD2-CG1 4.39Å; W318-I353 HydrophobicContact CE3-CG1 3.77Å; W318-I353 HydrophobicContact CZ3-CG1 4.44Å; W318-N356 WeakPolarHBondContact CZ3-OD1 3.44Å
319	A	95.8	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.7	-178.8	0	0	0	0	0	112.1	F313 I340 D341	F313-A319 HydrophobicContact CB-CB 3.73Å; F313-A319 PolarHBondContact O-N 3.33Å; A319-I340 HydrophobicContact CB-CG2 3.55Å; A319-D341 CarbonylContact C-O 3.53Å; A319-D341 WeakPolarHBondContact CA-O 3.31Å; A319-D341 WeakPolarHBondContact CB-O 3.39Å
320	N	92.1	Very high	94.9	Very high	14 Å²	14	31.2 Å²	31.2	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-39	174.1	-64.9	-44.3	0	0	0	111.9	K314 D341	K314-N320 WeakPolarHBondContact CE-O 3.25Å; N320-D341 PolarHBondContact N-O 2.95Å
321	R	94.2	Very high	94.6	Very high	145 Å²	145	31.9 Å²	31.9	55%	0.547	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.5	-177.2	-68.9	178.6	-71.4	-143.9	-5.6	110.4	D341	R321-D341 HydrophobicContact CB-CB 4.07Å; R321-D341 IonicContact CZ-OD2 2.7Å; R321-D341 IonicContact NE-OD2 3.65Å; R321-D341 PolarHBondContact NE-OD2 3.01Å; R321-D341 IonicContact NH2-OD2 3.75Å; R321-D341 PolarHBondContact NH2-OD2 3.09Å; R321-D341 PolarHBondContact O-N 3.25Å
322	L	96.5	Very high	94.4	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.2	174.6	178.1	152.9	0	0	0	107.8	L301 L309 L310 F313 L338 S339 I340	L301-L322 WeakPolarHBondContact O-CD2 3.09Å; L309-L322 HydrophobicContact CB-CD1 4.01Å; L310-L322 HydrophobicContact CB-CB 4.14Å; L310-L322 HydrophobicContact CD1-CB 3.89Å; L310-L322 HydrophobicContact CD2-CB 4.45Å; L310-L322 HydrophobicContact CG-CB 4.37Å; F313-L322 HydrophobicContact CD2-CD1 4.23Å; F313-L322 HydrophobicContact CE2-CD1 4.08Å; L322-L338 HydrophobicContact CD1-CD1 3.98Å; L322-L338 HydrophobicContact CD2-CD1 3.63Å; L322-L338 HydrophobicContact CG-CD1 3.72Å; L322-S339 CarbonylContact C-O 3.53Å; L322-S339 WeakPolarHBondContact CA-O 3.27Å; L322-I340 HydrophobicContact CD1-CD1 4.27Å; L322-I340 HydrophobicContact CD1-CG1 4.11Å; L322-I340 HydrophobicContact CG-CG1 4.28Å
323	A	97.1	Very high	94.3	Very high	58 Å²	58	32.1 Å²	32.1	48%	0.479	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.4	174	0	0	0	0	0	109.5	S339	A323-S339 PolarHBondContact N-O 3.46Å; A323-S339 PolarHBondContact O-N 3.4Å
324	C	97.7	Very high	94.2	Very high	24 Å²	24	32.2 Å²	32.2	16%	0.162	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.2	175.5	-164.8	0	0	0	0	109.3	L301 L336 I337 L338	L301-C324 HydrophobicContact CB-CB 4.07Å; C324-L336 VanDerWaalsContact SG-CD2 3.53Å; C324-I337 WeakPolarHBondContact CA-O 3.44Å; C324-L338 HydrophobicContact CB-CD1 3.89Å
325	G	96.6	Very high	94.3	Very high	30 Å²	30	31.5 Å²	31.5	31%	0.309	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	168.8	-179.1	0	0	0	0	0	112.6	I337	G325-I337 PolarHBondContact N-O 3.15Å; G325-I337 PolarHBondContact O-N 2.77Å
326	V	95.1	Very high	94.6	Very high	47 Å²	47	26.2 Å²	26.2	29%	0.285	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.5	174.7	-175.6	0	0	0	0	109.2	I282 Y285 P294 T298 C334 S335	I282-V326 HydrophobicContact CD1-CG1 4.21Å; Y285-V326 HydrophobicContact CD1-CG1 4.38Å; Y285-V326 HydrophobicContact CE1-CG1 3.64Å; P294-V326 HydrophobicContact CB-CG2 3.61Å; T298-V326 HydrophobicContact CG2-CG2 3.9Å; V326-C334 VanDerWaalsContact CG1-SG 3.51Å; V326-S335 WeakPolarHBondContact CA-O 3.48Å
327	S	94.5	Very high	94.8	Very high	39 Å²	39	27 Å²	27	27%	0.273	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.1	169.8	177.4	0	0	0	0	108.8	P329 C334 S335	S327-P329 WeakPolarHBondContact O-CD 3.47Å; S327-C334 CarbonylContact O-C 3.57Å; S327-C334 WeakPolarHBondContact O-CA 3.22Å; S327-S335 PolarHBondContact N-O 2.84Å; S327-S335 PolarHBondContact O-N 3.02Å
328	R	93.4	Very high	95	Very high	48 Å²	48	26.7 Å²	26.7	18%	0.181	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	82.7	173.6	-173.5	-171.5	175.7	-85	4.8	110.1	D108 D284 I286 A330 A331 I333	D108-R328 IonicContact OD2-NH1 3Å; D284-R328 VanDerWaalsContact CG-NE 3.33Å; D284-R328 IonicContact OD1-CZ 2.66Å; D284-R328 IonicContact OD1-NE 2.81Å; D284-R328 PolarHBondContact OD1-NE 3Å; D284-R328 IonicContact OD1-NH2 3.93Å; D284-R328 IonicContact OD2-CZ 3.74Å; D284-R328 IonicContact OD2-NE 3.54Å; D284-R328 PolarHBondContact OD2-NE 3.43Å; D284-R328 VanDerWaalsContact OD2-NE 3.14Å; D284-R328 IonicContact OD2-NH2 3.48Å; D284-R328 PolarHBondContact OD2-NH2 3.15Å; I286-R328 VanDerWaalsContact CG1-NE 3.28Å; R328-A330 VanDerWaalsContact C-N 3.26Å; R328-A330 PolarHBondContact O-N 2.89Å; R328-A331 VanDerWaalsContact NH2-CA 3.29Å; R328-I333 WeakPolarHBondContact CA-O 3.19Å
329	P	92.6	Very high	95.1	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.084	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	-32.7	177.9	-27.5	36.2	0	0	0	114.3	P107 Y178 S327 I333	P107-P329 HydrophobicContact CB-CB 4.38Å; P107-P329 WeakPolarHBondContact CB-O 3.42Å; P107-P329 HydrophobicContact CG-CB 4.19Å; Y178-P329 HydrophobicContact CD2-CB 4.37Å; Y178-P329 HydrophobicContact CE2-CB 3.69Å; Y178-P329 HydrophobicContact CE2-CG 3.65Å; S327-P329 WeakPolarHBondContact O-CD 3.47Å; P329-I333 HydrophobicContact CB-CG2 4.35Å; P329-I333 VanDerWaalsContact CD-O 3.28Å; P329-I333 WeakPolarHBondContact CD-O 3.45Å; P329-I333 HydrophobicContact CG-CG2 4.11Å
330	A	92.8	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	171.2	-178.8	0	0	0	0	0	112.3	L60 D108 W251 R328 G332 I333	L60-A330 HydrophobicContact CD1-CB 3.4Å; D108-A330 HydrophobicContact CB-CB 3.84Å; W251-A330 HydrophobicContact CE3-CB 3.58Å; W251-A330 HydrophobicContact CZ3-CB 3.63Å; R328-A330 VanDerWaalsContact C-N 3.26Å; R328-A330 PolarHBondContact O-N 2.89Å; A330-G332 PolarHBondContact O-N 3.29Å; A330-I333 HydrophobicContact CB-CD1 4.27Å; A330-I333 HydrophobicContact CB-CG1 4.48Å; A330-I333 PolarHBondContact O-N 2.92Å; A330-I333 VanDerWaalsContact O-O 3.1Å
331	A	91.3	Very high	95.4	Very high	16 Å²	16	27.1 Å²	27.1	13%	0.132	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	119.6	170.7	0	0	0	0	0	111.7	W251 D284 R328	W251-A331 PolarHBondContact N-O 2.71Å; W251-A331 VanDerWaalsContact N-O 3.1Å; D284-A331 WeakPolarHBondContact OD2-CA 3.49Å; R328-A331 VanDerWaalsContact NH2-CA 3.29Å
332	G	90.7	Very high	95.5	Very high	33 Å²	33	20.2 Å²	20.2	34%	0.34	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-9.6	-175.6	0	0	0	0	0	115.7	W251 D284 A330	W251-G332 WeakPolarHBondContact O-CA 3.38Å; D284-G332 PolarHBondContact OD2-N 3.25Å; A330-G332 PolarHBondContact O-N 3.29Å
333	I	93.9	Very high	95.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	103.8	176.1	-51.8	178.6	0	0	0	108.3	L60 Y178 W251 P255 W256 R328 P329 A330	L60-I333 HydrophobicContact CD1-CD1 4.43Å; Y178-I333 HydrophobicContact CD2-CD1 4.09Å; Y178-I333 HydrophobicContact CD2-CG2 4.44Å; Y178-I333 HydrophobicContact CE2-CG2 4.45Å; Y178-I333 HydrophobicContact CG-CD1 4.43Å; W251-I333 HydrophobicContact CB-CD1 3.98Å; W251-I333 HydrophobicContact CB-CG1 3.93Å; W251-I333 HydrophobicContact CD2-CD1 4.48Å; W251-I333 HydrophobicContact CG-CD1 4.13Å; P255-I333 HydrophobicContact CG-CD1 4.4Å; P255-I333 HydrophobicContact CG-CG1 4.41Å; P255-I333 HydrophobicContact CG-CG2 3.78Å; W256-I333 HydrophobicContact CH2-CG2 3.64Å; W256-I333 HydrophobicContact CZ2-CG2 4.35Å; W256-I333 HydrophobicContact CZ3-CG2 3.95Å; R328-I333 WeakPolarHBondContact CA-O 3.19Å; P329-I333 HydrophobicContact CB-CG2 4.35Å; P329-I333 VanDerWaalsContact CD-O 3.28Å; P329-I333 WeakPolarHBondContact CD-O 3.45Å; P329-I333 HydrophobicContact CG-CG2 4.11Å; A330-I333 HydrophobicContact CB-CD1 4.27Å; A330-I333 HydrophobicContact CB-CG1 4.48Å; A330-I333 PolarHBondContact O-N 2.92Å; A330-I333 VanDerWaalsContact O-O 3.1Å
334	C	94.7	Very high	95.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.9	-179.9	-164.2	0	0	0	0	110.8	I282 V326 S327	I282-C334 HydrophobicContact CG1-CB 4.04Å; I282-C334 VanDerWaalsContact CG1-SG 3.6Å; I282-C334 PolarHBondContact N-O 3.03Å; I282-C334 WeakPolarHBondContact O-CB 3.48Å; V326-C334 VanDerWaalsContact CG1-SG 3.51Å; S327-C334 CarbonylContact O-C 3.57Å; S327-C334 WeakPolarHBondContact O-CA 3.22Å
335	S	95.7	Very high	95	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.6	176.8	59.1	0	0	0	0	111	W280 V326 S327	W280-S335 CarbonylContact O-C 3.59Å; W280-S335 WeakPolarHBondContact O-CA 3.44Å; W280-S335 WeakPolarHBondContact O-CB 3.03Å; V326-S335 WeakPolarHBondContact CA-O 3.48Å; S327-S335 PolarHBondContact N-O 2.84Å; S327-S335 PolarHBondContact O-N 3.02Å
336	L	97.6	Very high	95	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.8	167.9	-171.9	149.4	0	0	0	108.3	M279 W280 I282 V297 T298 L301 C324 L434	M279-L336 WeakPolarHBondContact CA-O 3.36Å; W280-L336 HydrophobicContact CE3-CD2 3.75Å; W280-L336 HydrophobicContact CZ3-CD2 3.92Å; W280-L336 PolarHBondContact N-O 2.79Å; W280-L336 PolarHBondContact O-N 3.39Å; I282-L336 HydrophobicContact CD1-CB 4.36Å; I282-L336 HydrophobicContact CG2-CB 4.25Å; V297-L336 HydrophobicContact CB-CD1 4.44Å; V297-L336 HydrophobicContact CG1-CD1 3.86Å; T298-L336 HydrophobicContact CG2-CD1 3.83Å; T298-L336 HydrophobicContact CG2-CG 4.17Å; L301-L336 HydrophobicContact CD1-CD2 4.05Å; C324-L336 VanDerWaalsContact SG-CD2 3.53Å; L336-L434 HydrophobicContact CB-CD2 4.2Å; L336-L434 HydrophobicContact CD1-CD1 4.49Å; L336-L434 HydrophobicContact CD1-CD2 4.26Å; L336-L434 HydrophobicContact CD2-CD2 4.05Å; L336-L434 HydrophobicContact CG-CD2 4.41Å
337	I	97.6	Very high	95	Very high	43 Å²	43	23 Å²	23	22%	0.221	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.8	-177.4	-57	175.3	0	0	0	109.3	I278 M279 C324 G325	I278-I337 CarbonylContact O-C 3.54Å; I278-I337 VanDerWaalsContact O-CA 3.3Å; I278-I337 WeakPolarHBondContact O-CA 3.4Å; M279-I337 HydrophobicContact CB-CG1 4.42Å; M279-I337 HydrophobicContact CG-CG1 4.03Å; C324-I337 WeakPolarHBondContact CA-O 3.44Å; G325-I337 PolarHBondContact N-O 3.15Å; G325-I337 PolarHBondContact O-N 2.77Å
338	L	98.4	Very high	95.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	170.1	-178.8	66	0	0	0	109	N277 I278 W280 L322 C324 I340 I357	N277-L338 CarbonylContact C-O 3.55Å; N277-L338 WeakPolarHBondContact CA-O 3.49Å; I278-L338 HydrophobicContact CB-CB 4.43Å; I278-L338 HydrophobicContact CD1-CB 4.35Å; I278-L338 HydrophobicContact CD1-CD2 4.29Å; I278-L338 HydrophobicContact CD1-CG 4.34Å; I278-L338 WeakPolarHBondContact CD1-O 3.44Å; I278-L338 PolarHBondContact N-O 2.84Å; I278-L338 PolarHBondContact O-N 3.47Å; W280-L338 HydrophobicContact CH2-CB 4.28Å; W280-L338 HydrophobicContact CH2-CD2 4.31Å; W280-L338 HydrophobicContact CZ3-CB 3.8Å; L322-L338 HydrophobicContact CD1-CD1 3.98Å; L322-L338 HydrophobicContact CD2-CD1 3.63Å; L322-L338 HydrophobicContact CG-CD1 3.72Å; C324-L338 HydrophobicContact CB-CD1 3.89Å; L338-I340 HydrophobicContact CD2-CD1 4.42Å; L338-I340 HydrophobicContact CG-CG1 4.35Å; L338-I357 HydrophobicContact CD2-CD1 3.77Å; L338-I357 HydrophobicContact CD2-CG1 4.01Å; L338-I357 HydrophobicContact CD2-CG2 4.15Å
339	S	98	Very high	95.3	Very high	33 Å²	33	29.5 Å²	29.5	23%	0.231	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.9	-179.2	-55.5	0	0	0	0	110.1	M276 N277 L322 A323	M276-S339 CarbonylContact O-C 3.56Å; M276-S339 WeakPolarHBondContact O-CA 3.45Å; N277-S339 VanDerWaalsContact OD1-CB 3.29Å; N277-S339 WeakPolarHBondContact OD1-CB 3.49Å; N277-S339 PolarHBondContact OD1-OG 2.96Å; N277-S339 VanDerWaalsContact OD1-OG 3.08Å; L322-S339 CarbonylContact C-O 3.53Å; L322-S339 WeakPolarHBondContact CA-O 3.27Å; A323-S339 PolarHBondContact N-O 3.46Å; A323-S339 PolarHBondContact O-N 3.4Å
340	I	98.3	Very high	95.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125	-177.5	-50.2	177.7	0	0	0	109.2	Q275 M276 I278 F313 A319 L322 L338 L342 I353 I357	Q275-I340 CarbonylContact C-O 3.52Å; Q275-I340 WeakPolarHBondContact CA-O 3.24Å; Q275-I340 WeakPolarHBondContact CG-O 3.36Å; M276-I340 HydrophobicContact CB-CB 4.44Å; M276-I340 PolarHBondContact N-O 2.62Å; M276-I340 PolarHBondContact O-N 3.26Å; I278-I340 HydrophobicContact CD1-CD1 4.15Å; F313-I340 HydrophobicContact CE2-CD1 4.05Å; A319-I340 HydrophobicContact CB-CG2 3.55Å; L322-I340 HydrophobicContact CD1-CD1 4.27Å; L322-I340 HydrophobicContact CD1-CG1 4.11Å; L322-I340 HydrophobicContact CG-CG1 4.28Å; L338-I340 HydrophobicContact CD2-CD1 4.42Å; L338-I340 HydrophobicContact CG-CG1 4.35Å; I340-L342 HydrophobicContact CB-CD2 4.39Å; I340-L342 HydrophobicContact CG2-CD2 3.76Å; I340-I353 HydrophobicContact CD1-CG2 3.81Å; I340-I357 HydrophobicContact CD1-CD1 3.92Å
341	D	96	Very high	95.6	Very high	29 Å²	29	33.1 Å²	33.1	16%	0.155	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	110.6	172.2	-177.3	0.8	0	0	0	108.8	A319 N320 R321	A319-D341 CarbonylContact C-O 3.53Å; A319-D341 WeakPolarHBondContact CA-O 3.31Å; A319-D341 WeakPolarHBondContact CB-O 3.39Å; N320-D341 PolarHBondContact N-O 2.95Å; R321-D341 HydrophobicContact CB-CB 4.07Å; R321-D341 IonicContact CZ-OD2 2.7Å; R321-D341 IonicContact NE-OD2 3.65Å; R321-D341 PolarHBondContact NE-OD2 3.01Å; R321-D341 IonicContact NH2-OD2 3.75Å; R321-D341 PolarHBondContact NH2-OD2 3.09Å; R321-D341 PolarHBondContact O-N 3.25Å
342	L	97.2	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.9	-169.3	-64.4	179.3	0	0	0	112.2	H274 M276 I340 L347 T350 I353	H274-L342 HydrophobicContact CB-CB 4.12Å; H274-L342 WeakPolarHBondContact CB-O 3.43Å; H274-L342 PolarHBondContact O-N 3.16Å; M276-L342 HydrophobicContact CB-CD1 3.76Å; M276-L342 HydrophobicContact CB-CG 4.18Å; I340-L342 HydrophobicContact CB-CD2 4.39Å; I340-L342 HydrophobicContact CG2-CD2 3.76Å; L342-L347 HydrophobicContact CD1-CD1 4.11Å; L342-T350 HydrophobicContact CD1-CG2 4.26Å; L342-I353 HydrophobicContact CD2-CD1 3.55Å
343	T	94.6	Very high	96.2	Very high	7 Å²	7	34 Å²	34	4%	0.043	17%	0.169	C	C	.	.			trans	-79.5	168.5	160.5	70.3	0	0	0	0	109.9	G317 W318 K345 G346 L347 C625	G317-T343 WeakPolarHBondContact O-CG2 3.45Å; G317-T343 PolarHBondContact O-OG1 3.3Å; W318-T343 PolarHBondContact O-N 2.89Å; W318-T343 PolarHBondContact O-OG1 3.47Å; T343-K345 PolarHBondContact O-N 2.82Å; T343-K345 PolarHBondContact OG1-N 2.95Å; T343-G346 WeakPolarHBondContact O-CA 3.45Å; T343-G346 PolarHBondContact O-N 3.48Å; T343-G346 PolarHBondContact OG1-N 3.27Å; T343-L347 PolarHBondContact O-N 2.86Å; T343-C625 HydrophobicContact CG2-CB 4.3Å
344	L	91.9	Very high	96.4	Very high	85 Å²	85	34 Å²	34	45%	0.445	17%	0.169	S	C	.	.	H	α-helix	trans	-55.8	-40.5	170.4	-74.5	170	0	0	0	112	H274 G346 L347 E348	H274-L344 VanDerWaalsContact NE2-CD2 3.27Å; H274-L344 WeakPolarHBondContact NE2-CD2 3.47Å; L344-G346 VanDerWaalsContact C-N 3.35Å; L344-L347 WeakPolarHBondContact O-CB 3.43Å; L344-L347 PolarHBondContact O-N 3.19Å; L344-E348 PolarHBondContact O-N 2.79Å
345	K	94.3	Very high	96.5	Very high	110 Å²	110	35.2 Å²	35.2	48%	0.478	18%	0.176	S	C	.	.	H	α-helix	trans	-64.4	-39.2	174.4	-172.2	-173.4	-179.6	-167.1	0	111.7	A316 T343 L347 E348 K349	A316-K345 PolarHBondContact O-NZ 3.5Å; T343-K345 PolarHBondContact O-N 2.82Å; T343-K345 PolarHBondContact OG1-N 2.95Å; K345-L347 VanDerWaalsContact C-N 3.31Å; K345-L347 PolarHBondContact O-N 3.47Å; K345-E348 PolarHBondContact O-N 3.29Å; K345-K349 WeakPolarHBondContact O-CB 3.42Å; K345-K349 VanDerWaalsContact O-CG 3.24Å; K345-K349 WeakPolarHBondContact O-CG 3.38Å; K345-K349 PolarHBondContact O-N 3.08Å
346	G	96.3	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-36.3	175	0	0	0	0	0	113.2	W318 T343 L344 E348 K349 T350	W318-G346 VanDerWaalsContact O-CA 3.29Å; W318-G346 WeakPolarHBondContact O-CA 3.4Å; T343-G346 WeakPolarHBondContact O-CA 3.45Å; T343-G346 PolarHBondContact O-N 3.48Å; T343-G346 PolarHBondContact OG1-N 3.27Å; L344-G346 VanDerWaalsContact C-N 3.35Å; G346-E348 VanDerWaalsContact C-N 3.26Å; G346-E348 PolarHBondContact O-N 2.89Å; G346-K349 CarbonylContact O-C 3.47Å; G346-K349 PolarHBondContact O-N 2.98Å; G346-T350 PolarHBondContact O-N 3.08Å
347	L	95.4	Very high	96.6	Very high	21 Å²	21	36.1 Å²	36.1	11%	0.11	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-32.9	176.4	-166.6	65.1	0	0	0	112.7	L342 T343 L344 K345 K349 T350 S445 T447 F448	L342-L347 HydrophobicContact CD1-CD1 4.11Å; T343-L347 PolarHBondContact O-N 2.86Å; L344-L347 WeakPolarHBondContact O-CB 3.43Å; L344-L347 PolarHBondContact O-N 3.19Å; K345-L347 VanDerWaalsContact C-N 3.31Å; K345-L347 PolarHBondContact O-N 3.47Å; L347-K349 VanDerWaalsContact C-N 3.3Å; L347-T350 WeakPolarHBondContact O-CG2 3.36Å; L347-S445 WeakPolarHBondContact CD2-OG 3.38Å; L347-T447 HydrophobicContact CD2-CG2 4.15Å; L347-T447 WeakPolarHBondContact CD2-OG1 3.05Å; L347-F448 HydrophobicContact CD1-CE2 4.31Å; L347-F448 HydrophobicContact CD1-CZ 3.8Å; L347-F448 HydrophobicContact CD2-CZ 4.43Å; L347-F448 HydrophobicContact CG-CZ 4.32Å
348	E	96.1	Very high	96.7	Very high	153 Å²	153	34.2 Å²	34.2	72%	0.715	17%	0.171	S	C	*	.	H	α-helix	trans	-77.5	-16.1	173.6	-63.3	178.4	175.3	0	0	113.2	L344 K345 G346	L344-E348 PolarHBondContact O-N 2.79Å; K345-E348 PolarHBondContact O-N 3.29Å; G346-E348 VanDerWaalsContact C-N 3.26Å; G346-E348 PolarHBondContact O-N 2.89Å
349	K	97	Very high	96.6	Very high	71 Å²	71	35.5 Å²	35.5	31%	0.309	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	24.8	-170.9	-64.2	-71.3	166.5	-173.4	0	113.5	W318 K345 G346 L347 N351 E352 I353	W318-K349 HydrophobicContact CD2-CB 4.21Å; W318-K349 HydrophobicContact CG-CB 4.39Å; W318-K349 HydrophobicContact CZ2-CB 4.42Å; W318-K349 HydrophobicContact CZ2-CD 4.48Å; W318-K349 HydrophobicContact CZ2-CG 4.43Å; K345-K349 WeakPolarHBondContact O-CB 3.42Å; K345-K349 VanDerWaalsContact O-CG 3.24Å; K345-K349 WeakPolarHBondContact O-CG 3.38Å; K345-K349 PolarHBondContact O-N 3.08Å; G346-K349 CarbonylContact O-C 3.47Å; G346-K349 PolarHBondContact O-N 2.98Å; L347-K349 VanDerWaalsContact C-N 3.3Å; K349-N351 VanDerWaalsContact C-N 3.29Å; K349-N351 PolarHBondContact O-N 2.92Å; K349-E352 WeakPolarHBondContact CA-OE2 3.46Å; K349-E352 VanDerWaalsContact CD-CD 3.44Å; K349-E352 HydrophobicContact CD-CG 4.31Å; K349-E352 WeakPolarHBondContact CD-OE1 3.42Å; K349-E352 IonicContact NZ-OE1 3.35Å; K349-E352 PolarHBondContact NZ-OE1 3.24Å; K349-E352 PolarHBondContact O-N 3.23Å; K349-I353 WeakPolarHBondContact O-CG1 3.37Å; K349-I353 PolarHBondContact O-N 2.92Å
350	T	96.7	Very high	96.6	Very high	18 Å²	18	34 Å²	34	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-34.5	-176.8	49.3	0	0	0	0	113.4	M276 L342 G346 L347 M354 L443	M276-T350 HydrophobicContact SD-CG2 4.26Å; L342-T350 HydrophobicContact CD1-CG2 4.26Å; G346-T350 PolarHBondContact O-N 3.08Å; L347-T350 WeakPolarHBondContact O-CG2 3.36Å; T350-M354 WeakPolarHBondContact O-CG 3.46Å; T350-M354 PolarHBondContact O-N 2.88Å; T350-L443 HydrophobicContact CG2-CD1 4.09Å; T350-L443 HydrophobicContact CG2-CD2 3.64Å
351	N	96	Very high	96.6	Very high	72 Å²	72	34 Å²	34	39%	0.385	17%	0.167	S	C	.	.	H	α-helix	trans	-70	-39.7	176.9	-73	-37.2	0	0	0	112.4	K349 M354 T355	K349-N351 VanDerWaalsContact C-N 3.29Å; K349-N351 PolarHBondContact O-N 2.92Å; N351-M354 PolarHBondContact O-N 3.48Å; N351-T355 WeakPolarHBondContact O-CB 3.41Å; N351-T355 PolarHBondContact O-N 3.37Å; N351-T355 PolarHBondContact O-OG1 2.8Å
352	E	96.4	Very high	96.6	Very high	68 Å²	68	35 Å²	35	32%	0.318	17%	0.172	S	C	.	.	H	α-helix	trans	-65.3	-43.6	174.9	-66.1	91.5	146.2	0	0	110.9	W318 K349 M354 T355 N356	W318-E352 HydrophobicContact CH2-CB 3.89Å; W318-E352 HydrophobicContact CZ2-CB 4.5Å; W318-E352 HydrophobicContact CZ3-CB 4.18Å; K349-E352 WeakPolarHBondContact CA-OE2 3.46Å; K349-E352 VanDerWaalsContact CD-CD 3.44Å; K349-E352 HydrophobicContact CD-CG 4.31Å; K349-E352 WeakPolarHBondContact CD-OE1 3.42Å; K349-E352 IonicContact NZ-OE1 3.35Å; K349-E352 PolarHBondContact NZ-OE1 3.24Å; K349-E352 PolarHBondContact O-N 3.23Å; E352-M354 PolarHBondContact O-N 3.18Å; E352-T355 WeakPolarHBondContact O-CB 3.42Å; E352-T355 PolarHBondContact O-N 3.01Å; E352-T355 VanDerWaalsContact O-N 3.15Å; E352-N356 PolarHBondContact O-N 3.36Å; E352-N356 PolarHBondContact O-OD1 2.89Å
353	I	97.8	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-50.3	173.5	-68.2	169.1	0	0	0	110.8	M276 F313 W318 I340 L342 K349 T355 N356 I357	M276-I353 HydrophobicContact SD-CG2 4.23Å; F313-I353 HydrophobicContact CD1-CG1 4.48Å; F313-I353 HydrophobicContact CE1-CB 4.46Å; F313-I353 HydrophobicContact CE1-CG1 4.35Å; F313-I353 HydrophobicContact CE1-CG2 4.27Å; F313-I353 HydrophobicContact CE2-CG2 4.01Å; F313-I353 HydrophobicContact CZ-CB 4.43Å; F313-I353 HydrophobicContact CZ-CG2 3.79Å; W318-I353 HydrophobicContact CB-CD1 4.15Å; W318-I353 HydrophobicContact CB-CG1 4.48Å; W318-I353 HydrophobicContact CD2-CG1 4.39Å; W318-I353 HydrophobicContact CE3-CG1 3.77Å; W318-I353 HydrophobicContact CZ3-CG1 4.44Å; I340-I353 HydrophobicContact CD1-CG2 3.81Å; L342-I353 HydrophobicContact CD2-CD1 3.55Å; K349-I353 WeakPolarHBondContact O-CG1 3.37Å; K349-I353 PolarHBondContact O-N 2.92Å; I353-T355 VanDerWaalsContact C-N 3.29Å; I353-T355 PolarHBondContact O-N 3.37Å; I353-N356 PolarHBondContact O-N 3.31Å; I353-I357 HydrophobicContact CG2-CD1 3.92Å; I353-I357 WeakPolarHBondContact O-CG1 3.48Å; I353-I357 PolarHBondContact O-N 3.41Å
354	M	97.7	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-41.4	175.6	-75.2	-58.1	-75.2	0	0	112.4	M276 I278 T350 N351 E352 I357 Y358 V441 W476	M276-M354 HydrophobicContact CE-CG 3.38Å; M276-M354 HydrophobicContact CE-SD 3.17Å; M276-M354 WeakPolarHBondContact CE-SD 3.45Å; I278-M354 HydrophobicContact CD1-SD 4.43Å; I278-M354 HydrophobicContact CG1-CE 4.42Å; I278-M354 HydrophobicContact CG1-SD 3.75Å; I278-M354 HydrophobicContact CG2-CE 4.34Å; T350-M354 WeakPolarHBondContact O-CG 3.46Å; T350-M354 PolarHBondContact O-N 2.88Å; N351-M354 PolarHBondContact O-N 3.48Å; E352-M354 PolarHBondContact O-N 3.18Å; M354-I357 PolarHBondContact O-N 2.98Å; M354-I357 HydrophobicContact SD-CD1 4.15Å; M354-Y358 HydrophobicContact CE-CD2 4.47Å; M354-Y358 HydrophobicContact CE-CE2 3.41Å; M354-Y358 VanDerWaalsContact CE-CE2 3.41Å; M354-Y358 VanDerWaalsContact CE-OH 3.32Å; M354-Y358 WeakPolarHBondContact CE-OH 3.27Å; M354-Y358 WeakPolarHBondContact O-CD2 3.48Å; M354-Y358 PolarHBondContact O-N 3.41Å; M354-V441 HydrophobicContact CE-CG2 3.77Å; M354-V441 HydrophobicContact SD-CG2 4.2Å; M354-W476 HydrophobicContact CB-CD2 4.06Å; M354-W476 HydrophobicContact CB-CH2 4.16Å; M354-W476 HydrophobicContact CB-CZ2 3.46Å; M354-W476 VanDerWaalsContact CB-CZ2 3.46Å; M354-W476 HydrophobicContact CE-CE3 4.13Å; M354-W476 HydrophobicContact CE-CH2 4.12Å; M354-W476 HydrophobicContact CE-CZ3 3.86Å; M354-W476 HydrophobicContact CG-CH2 3.8Å; M354-W476 HydrophobicContact CG-CZ2 3.52Å; M354-W476 HydrophobicContact CG-CZ3 4.44Å
355	T	97.6	Very high	96.7	Very high	28 Å²	28	34.9 Å²	34.9	17%	0.172	17%	0.17	C	C	.	.	H	α-helix	trans	-59.1	-50.8	177	-56.1	0	0	0	0	109.6	N351 E352 I353 I357 Y358 Q359	N351-T355 WeakPolarHBondContact O-CB 3.41Å; N351-T355 PolarHBondContact O-N 3.37Å; N351-T355 PolarHBondContact O-OG1 2.8Å; E352-T355 WeakPolarHBondContact O-CB 3.42Å; E352-T355 PolarHBondContact O-N 3.01Å; E352-T355 VanDerWaalsContact O-N 3.15Å; I353-T355 VanDerWaalsContact C-N 3.29Å; I353-T355 PolarHBondContact O-N 3.37Å; T355-I357 VanDerWaalsContact C-N 3.31Å; T355-I357 PolarHBondContact O-N 3.29Å; T355-Y358 PolarHBondContact O-N 3.3Å; T355-Y358 VanDerWaalsContact O-N 3.14Å; T355-Q359 HydrophobicContact CG2-CG 4.25Å; T355-Q359 VanDerWaalsContact O-CG 3.22Å; T355-Q359 WeakPolarHBondContact O-CG 3.4Å; T355-Q359 PolarHBondContact O-N 2.99Å
356	N	97.6	Very high	96.6	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-36	178.5	-64.8	137.9	0	0	0	113.6	L312 F313 W318 E352 I353 Q359 Y360 L485	L312-N356 HydrophobicContact CD2-CB 4.01Å; F313-N356 HydrophobicContact CE1-CB 3.73Å; F313-N356 HydrophobicContact CZ-CB 4.11Å; W318-N356 WeakPolarHBondContact CZ3-OD1 3.44Å; E352-N356 PolarHBondContact O-N 3.36Å; E352-N356 PolarHBondContact O-OD1 2.89Å; I353-N356 PolarHBondContact O-N 3.31Å; N356-Q359 PolarHBondContact ND2-OE1 3.11Å; N356-Q359 PolarHBondContact O-N 3.07Å; N356-Y360 PolarHBondContact O-N 3.27Å; N356-L485 WeakPolarHBondContact O-CD1 3.2Å
357	I	98.1	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-49.4	173.3	-68.1	162.4	0	0	0	110.5	I278 W280 L309 F313 L338 I340 I353 M354 T355 Q359 Y360 I361	I278-I357 HydrophobicContact CD1-CD1 4.07Å; W280-I357 HydrophobicContact CH2-CG2 4.1Å; W280-I357 HydrophobicContact CZ2-CG2 4.36Å; L309-I357 HydrophobicContact CD1-CG1 4.3Å; L309-I357 HydrophobicContact CD2-CG1 4.35Å; F313-I357 HydrophobicContact CE2-CG1 4.48Å; F313-I357 HydrophobicContact CZ-CG1 4.13Å; L338-I357 HydrophobicContact CD2-CD1 3.77Å; L338-I357 HydrophobicContact CD2-CG1 4.01Å; L338-I357 HydrophobicContact CD2-CG2 4.15Å; I340-I357 HydrophobicContact CD1-CD1 3.92Å; I353-I357 HydrophobicContact CG2-CD1 3.92Å; I353-I357 WeakPolarHBondContact O-CG1 3.48Å; I353-I357 PolarHBondContact O-N 3.41Å; M354-I357 PolarHBondContact O-N 2.98Å; M354-I357 HydrophobicContact SD-CD1 4.15Å; T355-I357 VanDerWaalsContact C-N 3.31Å; T355-I357 PolarHBondContact O-N 3.29Å; I357-Q359 PolarHBondContact O-N 3.14Å; I357-Y360 WeakPolarHBondContact O-CB 3.26Å; I357-Y360 PolarHBondContact O-N 3.24Å; I357-I361 HydrophobicContact CG2-CD1 3.82Å; I357-I361 WeakPolarHBondContact O-CG1 3.31Å; I357-I361 PolarHBondContact O-N 2.99Å
358	Y	98.1	Very high	96.3	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-70.1	-30.8	178	-67.4	-60	0	0	0	113.1	W280 M354 T355 Y360 I361 N362 P436 W476	W280-Y358 HydrophobicContact CZ2-CE1 4.28Å; M354-Y358 HydrophobicContact CE-CD2 4.47Å; M354-Y358 HydrophobicContact CE-CE2 3.41Å; M354-Y358 VanDerWaalsContact CE-CE2 3.41Å; M354-Y358 VanDerWaalsContact CE-OH 3.32Å; M354-Y358 WeakPolarHBondContact CE-OH 3.27Å; M354-Y358 WeakPolarHBondContact O-CD2 3.48Å; M354-Y358 PolarHBondContact O-N 3.41Å; T355-Y358 PolarHBondContact O-N 3.3Å; T355-Y358 VanDerWaalsContact O-N 3.14Å; Y358-Y360 VanDerWaalsContact C-N 3.29Å; Y358-Y360 PolarHBondContact O-N 3.44Å; Y358-I361 HydrophobicContact CD1-CD1 3.99Å; Y358-I361 HydrophobicContact CE1-CD1 4.28Å; Y358-I361 PolarHBondContact O-N 3.05Å; Y358-N362 VanDerWaalsContact O-CB 3.26Å; Y358-N362 WeakPolarHBondContact O-CB 3.45Å; Y358-N362 PolarHBondContact O-N 3.45Å; Y358-N362 PolarHBondContact O-ND2 3.14Å; Y358-P436 HydrophobicContact CD1-CG 4.05Å; Y358-P436 HydrophobicContact CD2-CG 4.13Å; Y358-P436 HydrophobicContact CE1-CG 3.78Å; Y358-P436 HydrophobicContact CE2-CB 4.29Å; Y358-P436 HydrophobicContact CE2-CG 3.82Å; Y358-P436 HydrophobicContact CG-CG 4.24Å; Y358-P436 VanDerWaalsContact OH-CA 3.29Å; Y358-P436 WeakPolarHBondContact OH-CA 3.43Å; Y358-W476 HydrophobicContact CD2-CB 3.53Å; Y358-W476 HydrophobicContact CD2-CD2 4.28Å; Y358-W476 AromaticContact CD2-CG 3.78Å; Y358-W476 HydrophobicContact CD2-CG 3.78Å; Y358-W476 HydrophobicContact CE2-CB 3.74Å; Y358-W476 AromaticContact CE2-CD2 3.88Å; Y358-W476 HydrophobicContact CE2-CD2 3.88Å; Y358-W476 AromaticContact CE2-CE3 3.82Å; Y358-W476 HydrophobicContact CE2-CE3 3.82Å; Y358-W476 AromaticContact CE2-CG 3.85Å; Y358-W476 HydrophobicContact CE2-CG 3.85Å; Y358-W476 HydrophobicContact CG-CB 4.41Å
359	Q	97.7	Very high	96.3	Very high	27 Å²	27	34.5 Å²	34.5	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-38.6	170	-64.6	178.7	-40.1	0	0	111.5	T355 N356 I357 M363 S480 N482 L485	T355-Q359 HydrophobicContact CG2-CG 4.25Å; T355-Q359 VanDerWaalsContact O-CG 3.22Å; T355-Q359 WeakPolarHBondContact O-CG 3.4Å; T355-Q359 PolarHBondContact O-N 2.99Å; N356-Q359 PolarHBondContact ND2-OE1 3.11Å; N356-Q359 PolarHBondContact O-N 3.07Å; I357-Q359 PolarHBondContact O-N 3.14Å; Q359-M363 PolarHBondContact O-N 3.37Å; Q359-M363 VanDerWaalsContact O-N 3.08Å; Q359-S480 WeakPolarHBondContact CA-O 3.34Å; Q359-S480 WeakPolarHBondContact CB-O 3.42Å; Q359-S480 WeakPolarHBondContact CG-O 3.5Å; Q359-N482 HydrophobicContact CB-CB 4.05Å; Q359-N482 HydrophobicContact CG-CB 4.46Å; Q359-N482 PolarHBondContact OE1-ND2 2.75Å; Q359-L485 HydrophobicContact CB-CD1 4.25Å
360	Y	97.8	Very high	96.2	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-49.9	174.4	-161.6	-101.2	0	0	0	111.6	L300 L301 L309 N356 I357 Y358 N362 M363 L364 L485 R486	L300-Y360 HydrophobicContact CB-CE1 4.36Å; L300-Y360 PolarHBondContact O-OH 3.48Å; L301-Y360 HydrophobicContact CD2-CD1 3.79Å; L301-Y360 HydrophobicContact CD2-CE1 4.31Å; L309-Y360 HydrophobicContact CD1-CD1 4.18Å; L309-Y360 HydrophobicContact CD1-CG 4.16Å; L309-Y360 HydrophobicContact CD2-CD2 4.41Å; L309-Y360 HydrophobicContact CD2-CG 4.19Å; L309-Y360 HydrophobicContact CG-CD1 4.35Å; L309-Y360 HydrophobicContact CG-CD2 4.15Å; L309-Y360 HydrophobicContact CG-CG 3.94Å; N356-Y360 PolarHBondContact O-N 3.27Å; I357-Y360 WeakPolarHBondContact O-CB 3.26Å; I357-Y360 PolarHBondContact O-N 3.24Å; Y358-Y360 VanDerWaalsContact C-N 3.29Å; Y358-Y360 PolarHBondContact O-N 3.44Å; Y360-N362 VanDerWaalsContact C-N 3.28Å; Y360-N362 PolarHBondContact O-N 3.43Å; Y360-M363 HydrophobicContact CD2-CE 3.97Å; Y360-M363 HydrophobicContact CE2-CE 3.64Å; Y360-M363 WeakPolarHBondContact O-CB 3.28Å; Y360-M363 PolarHBondContact O-N 3.04Å; Y360-M363 VanDerWaalsContact O-N 3.09Å; Y360-L364 HydrophobicContact CD1-CD1 3.88Å; Y360-L364 HydrophobicContact CD1-CG 4.1Å; Y360-L364 HydrophobicContact CE1-CD1 3.77Å; Y360-L364 HydrophobicContact CE1-CD2 4.11Å; Y360-L364 HydrophobicContact CE1-CG 4.05Å; Y360-L364 WeakPolarHBondContact O-CG 3.4Å; Y360-L364 PolarHBondContact O-N 2.74Å; Y360-L485 HydrophobicContact CD2-CB 3.83Å; Y360-L485 HydrophobicContact CD2-CD1 4.04Å; Y360-L485 HydrophobicContact CD2-CD2 3.94Å; Y360-L485 HydrophobicContact CD2-CG 4.13Å; Y360-L485 HydrophobicContact CE2-CB 4.34Å; Y360-R486 PolarHBondContact OH-O 2.98Å
361	I	97.3	Very high	96.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-40.9	178.6	-66.7	162.7	0	0	0	110.8	W280 L301 I357 Y358 M363 L364 L365 L434	W280-I361 HydrophobicContact CZ2-CD1 4.35Å; L301-I361 HydrophobicContact CD2-CG1 4.1Å; I357-I361 HydrophobicContact CG2-CD1 3.82Å; I357-I361 WeakPolarHBondContact O-CG1 3.31Å; I357-I361 PolarHBondContact O-N 2.99Å; Y358-I361 HydrophobicContact CD1-CD1 3.99Å; Y358-I361 HydrophobicContact CE1-CD1 4.28Å; Y358-I361 PolarHBondContact O-N 3.05Å; I361-M363 VanDerWaalsContact C-N 3.34Å; I361-M363 PolarHBondContact O-N 3.08Å; I361-L364 WeakPolarHBondContact O-CB 3.39Å; I361-L364 PolarHBondContact O-N 3.19Å; I361-L365 HydrophobicContact CG2-CD1 3.95Å; I361-L365 HydrophobicContact CG2-CG 4.48Å; I361-L365 WeakPolarHBondContact O-CG 3.42Å; I361-L365 PolarHBondContact O-N 3.46Å; I361-L434 HydrophobicContact CD1-CB 3.88Å; I361-L434 HydrophobicContact CD1-CD1 4.45Å; I361-L434 HydrophobicContact CG2-CB 4.28Å
362	N	96.2	Very high	96.1	Very high	49 Å²	49	38.3 Å²	38.3	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-66.7	-34.5	177.2	-72.7	-14.6	0	0	0	112.5	Y358 Y360 L365 S366 S479	Y358-N362 VanDerWaalsContact O-CB 3.26Å; Y358-N362 WeakPolarHBondContact O-CB 3.45Å; Y358-N362 PolarHBondContact O-N 3.45Å; Y358-N362 PolarHBondContact O-ND2 3.14Å; Y360-N362 VanDerWaalsContact C-N 3.28Å; Y360-N362 PolarHBondContact O-N 3.43Å; N362-L365 PolarHBondContact O-N 2.92Å; N362-S366 WeakPolarHBondContact O-CB 3.45Å; N362-S366 PolarHBondContact O-N 3.24Å; N362-S366 PolarHBondContact O-OG 2.75Å; N362-S479 PolarHBondContact ND2-O 3.18Å
363	M	95.9	Very high	96.1	Very high	18 Å²	18	35.1 Å²	35.1	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-43.1	170.3	179.4	-160.3	76.3	0	0	111.2	Q359 Y360 I361 L365 S366 T481 L485 F487	Q359-M363 PolarHBondContact O-N 3.37Å; Q359-M363 VanDerWaalsContact O-N 3.08Å; Y360-M363 HydrophobicContact CD2-CE 3.97Å; Y360-M363 HydrophobicContact CE2-CE 3.64Å; Y360-M363 WeakPolarHBondContact O-CB 3.28Å; Y360-M363 PolarHBondContact O-N 3.04Å; Y360-M363 VanDerWaalsContact O-N 3.09Å; I361-M363 VanDerWaalsContact C-N 3.34Å; I361-M363 PolarHBondContact O-N 3.08Å; M363-L365 VanDerWaalsContact C-N 3.3Å; M363-L365 PolarHBondContact O-N 3.09Å; M363-S366 WeakPolarHBondContact CA-OG 3.28Å; M363-S366 PolarHBondContact O-N 3.04Å; M363-S366 PolarHBondContact O-OG 3.13Å; M363-T481 HydrophobicContact CB-CG2 4.06Å; M363-L485 HydrophobicContact SD-CB 4.45Å; M363-F487 HydrophobicContact CE-CD2 4.44Å; M363-F487 HydrophobicContact CE-CE2 4.42Å
364	L	96.1	Very high	95.9	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-34.8	176.7	-61.9	-175.4	0	0	0	112.5	L300 Y360 I361 L431 F487	L300-L364 HydrophobicContact CB-CD1 4.18Å; L300-L364 HydrophobicContact CD1-CD1 4.17Å; L300-L364 HydrophobicContact CD1-CD2 3.92Å; Y360-L364 HydrophobicContact CD1-CD1 3.88Å; Y360-L364 HydrophobicContact CD1-CG 4.1Å; Y360-L364 HydrophobicContact CE1-CD1 3.77Å; Y360-L364 HydrophobicContact CE1-CD2 4.11Å; Y360-L364 HydrophobicContact CE1-CG 4.05Å; Y360-L364 WeakPolarHBondContact O-CG 3.4Å; Y360-L364 PolarHBondContact O-N 2.74Å; I361-L364 WeakPolarHBondContact O-CB 3.39Å; I361-L364 PolarHBondContact O-N 3.19Å; L364-L431 HydrophobicContact CB-CD1 4.14Å; L364-L431 HydrophobicContact CB-CD2 4.17Å; L364-L431 HydrophobicContact CD1-CD2 3.89Å; L364-F487 HydrophobicContact CD2-CD1 4.11Å; L364-F487 HydrophobicContact CD2-CE1 3.39Å; L364-F487 HydrophobicContact CD2-CZ 3.73Å
365	L	95.1	Very high	95.7	Very high	65 Å²	65	38.4 Å²	38.4	34%	0.34	19%	0.194	S	C	.	.	H	α-helix	trans	-77.8	-24.1	177.1	-75.9	170.1	0	0	0	113.4	I361 N362 M363 D367 L431	I361-L365 HydrophobicContact CG2-CD1 3.95Å; I361-L365 HydrophobicContact CG2-CG 4.48Å; I361-L365 WeakPolarHBondContact O-CG 3.42Å; I361-L365 PolarHBondContact O-N 3.46Å; N362-L365 PolarHBondContact O-N 2.92Å; M363-L365 VanDerWaalsContact C-N 3.3Å; M363-L365 PolarHBondContact O-N 3.09Å; L365-D367 VanDerWaalsContact C-N 3.34Å; L365-L431 HydrophobicContact CD2-CB 3.65Å; L365-L431 HydrophobicContact CD2-CD1 4.45Å; L365-L431 HydrophobicContact CG-CB 4.21Å
366	S	92.8	Very high	95.6	Very high	75 Å²	75	38.3 Å²	38.3	52%	0.524	19%	0.191	S	C	.	.	H	α-helix	trans	-74.3	-26.1	-179.7	60.2	0	0	0	0	113.3	N362 M363	N362-S366 WeakPolarHBondContact O-CB 3.45Å; N362-S366 PolarHBondContact O-N 3.24Å; N362-S366 PolarHBondContact O-OG 2.75Å; M363-S366 WeakPolarHBondContact CA-OG 3.28Å; M363-S366 PolarHBondContact O-N 3.04Å; M363-S366 PolarHBondContact O-OG 3.13Å
367	D	90.9	Very high	95.3	Very high	73 Å²	73	39.5 Å²	39.5	39%	0.39	20%	0.196	S	C	.	.	S	Bend	trans	-101.6	166.9	178.1	-69	-21.8	0	0	0	111.7	L365 R428 F487	L365-D367 VanDerWaalsContact C-N 3.34Å; D367-R428 PolarHBondContact O-NH2 3.11Å; D367-F487 HydrophobicContact CB-CE2 4.32Å; D367-F487 HydrophobicContact CB-CZ 4.36Å; D367-F487 WeakPolarHBondContact OD2-CE2 3.32Å
368	E	92.9	Very high	95	Very high	120 Å²	120	41.5 Å²	41.5	56%	0.561	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-70.7	144.4	164.7	-165.9	175.9	169	0	0	109.3	Q370	E368-Q370 PolarHBondContact O-N 3.18Å; E368-Q370 PolarHBondContact O-NE2 2.86Å
369	P	96.2	Very high	94.6	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.058	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-47.3	133.4	166.1	-28.8	36.6	0	0	0	110.1	K371 Y422 P424 I427 R428	P369-K371 PolarHBondContact O-N 2.86Å; P369-Y422 VanDerWaalsContact C-OH 3.26Å; P369-Y422 WeakPolarHBondContact CB-OH 3.36Å; P369-Y422 PolarHBondContact O-OH 3.21Å; P369-P424 HydrophobicContact CB-CB 4.09Å; P369-P424 HydrophobicContact CG-CB 3.91Å; P369-I427 HydrophobicContact CB-CB 4.33Å; P369-I427 HydrophobicContact CB-CD1 4.09Å; P369-I427 HydrophobicContact CB-CG2 4.01Å; P369-I427 HydrophobicContact CG-CB 4.1Å; P369-I427 HydrophobicContact CG-CG2 3.85Å; P369-R428 HydrophobicContact CG-CG 3.94Å
370	Q	95.7	Very high	94.3	Very high	52 Å²	52	42.4 Å²	42.4	24%	0.243	22%	0.217	C	C	.	.			trans	-85.7	108.6	-170.8	-62.5	-62.7	-55.8	0	0	109.2	Y296 E368 W372 I373 F374 F487	Y296-Q370 PolarHBondContact OH-N 3.3Å; Y296-Q370 PolarHBondContact OH-O 3.25Å; E368-Q370 PolarHBondContact O-N 3.18Å; E368-Q370 PolarHBondContact O-NE2 2.86Å; Q370-W372 PolarHBondContact O-N 3.34Å; Q370-I373 HydrophobicContact CB-CB 4.37Å; Q370-I373 HydrophobicContact CB-CD1 3.77Å; Q370-I373 HydrophobicContact CB-CG1 3.82Å; Q370-I373 HydrophobicContact CG-CD1 4.21Å; Q370-I373 PolarHBondContact O-N 3.41Å; Q370-I373 VanDerWaalsContact O-N 3.13Å; Q370-F374 PolarHBondContact O-N 2.96Å; Q370-F487 HydrophobicContact CG-CD1 4.12Å; Q370-F487 HydrophobicContact CG-CE1 3.82Å; Q370-F487 HydrophobicContact CG-CE2 4.4Å; Q370-F487 HydrophobicContact CG-CZ 3.98Å
371	K	95.5	Very high	93.8	Very high	105 Å²	105	43.6 Å²	43.6	46%	0.457	23%	0.225	S	C	.	.	H	α-helix	trans	-56.9	-37.3	-179.9	-169.2	-169.6	-177.4	-52.9	0	112.6	P369 I373 F374 D375 Y422	P369-K371 PolarHBondContact O-N 2.86Å; K371-I373 VanDerWaalsContact C-N 3.25Å; K371-I373 PolarHBondContact O-N 3.24Å; K371-F374 WeakPolarHBondContact O-CB 3.4Å; K371-F374 PolarHBondContact O-N 3.38Å; K371-F374 VanDerWaalsContact O-N 3.13Å; K371-D375 IonicContact NZ-OD1 3.07Å; K371-D375 PolarHBondContact NZ-OD1 3.44Å; K371-D375 IonicContact NZ-OD2 3.88Å; K371-D375 PolarHBondContact NZ-OD2 2.74Å; K371-D375 VanDerWaalsContact O-CG 3.27Å; K371-D375 PolarHBondContact O-N 2.97Å; K371-Y422 HydrophobicContact CB-CE1 4.14Å; K371-Y422 HydrophobicContact CG-CD1 4.17Å; K371-Y422 HydrophobicContact CG-CE1 4.13Å; K371-Y422 HydrophobicContact CG-CG 4.47Å
372	W	95.3	Very high	93.4	Very high	84 Å²	84	48.2 Å²	48.2	32%	0.318	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-31.4	-178.9	73.4	-95.4	0	0	0	112.7	Q370 D375 E376 P488 P490	Q370-W372 PolarHBondContact O-N 3.34Å; W372-D375 PolarHBondContact O-N 3.17Å; W372-E376 WeakPolarHBondContact O-CB 3.31Å; W372-E376 PolarHBondContact O-N 3.41Å; W372-P488 HydrophobicContact CH2-CG 4.34Å; W372-P488 WeakPolarHBondContact CH2-O 3.33Å; W372-P488 WeakPolarHBondContact CZ2-O 3.46Å; W372-P490 HydrophobicContact CH2-CG 4.41Å; W372-P490 HydrophobicContact CZ3-CB 4.38Å; W372-P490 HydrophobicContact CZ3-CG 4.16Å
373	I	95.2	Very high	93	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-42.6	174.9	-59.6	-176.9	0	0	0	110	Y296 L300 Q370 K371 E376 E377 F487 P488	Y296-I373 HydrophobicContact CD2-CG2 4.35Å; Y296-I373 HydrophobicContact CE2-CB 3.85Å; Y296-I373 HydrophobicContact CE2-CG2 3.77Å; L300-I373 HydrophobicContact CD2-CD1 3.85Å; L300-I373 HydrophobicContact CD2-CG2 4.49Å; Q370-I373 HydrophobicContact CB-CB 4.37Å; Q370-I373 HydrophobicContact CB-CD1 3.77Å; Q370-I373 HydrophobicContact CB-CG1 3.82Å; Q370-I373 HydrophobicContact CG-CD1 4.21Å; Q370-I373 PolarHBondContact O-N 3.41Å; Q370-I373 VanDerWaalsContact O-N 3.13Å; K371-I373 VanDerWaalsContact C-N 3.25Å; K371-I373 PolarHBondContact O-N 3.24Å; I373-E376 PolarHBondContact O-N 3.5Å; I373-E377 WeakPolarHBondContact O-CB 3.32Å; I373-E377 WeakPolarHBondContact O-CG 3.5Å; I373-E377 PolarHBondContact O-N 2.94Å; I373-F487 HydrophobicContact CD1-CD1 3.7Å; I373-F487 HydrophobicContact CD1-CE1 4.36Å; I373-P488 HydrophobicContact CD1-CG 4.29Å
374	F	94.5	Very high	92.6	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-44.3	173.6	175.1	-86.9	0	0	0	111.5	Y296 Q370 K371 E376 E377 Q378 A419 V421 Y422	Y296-F374 HydrophobicContact CD2-CB 4.35Å; Y296-F374 HydrophobicContact CE2-CB 4.28Å; Q370-F374 PolarHBondContact O-N 2.96Å; K371-F374 WeakPolarHBondContact O-CB 3.4Å; K371-F374 PolarHBondContact O-N 3.38Å; K371-F374 VanDerWaalsContact O-N 3.13Å; F374-E376 VanDerWaalsContact C-N 3.31Å; F374-E376 PolarHBondContact O-N 2.77Å; F374-E377 PolarHBondContact O-N 3.01Å; F374-Q378 HydrophobicContact CE1-CB 4.35Å; F374-Q378 WeakPolarHBondContact O-CB 3.49Å; F374-Q378 PolarHBondContact O-N 3.45Å; F374-A419 HydrophobicContact CE2-CB 3.76Å; F374-A419 HydrophobicContact CZ-CB 3.99Å; F374-V421 WeakPolarHBondContact CE2-O 3.36Å; F374-V421 VanDerWaalsContact CZ-C 3.5Å; F374-V421 WeakPolarHBondContact CZ-O 3.05Å; F374-Y422 HydrophobicContact CB-CD2 3.7Å; F374-Y422 HydrophobicContact CB-CE2 4.02Å; F374-Y422 AromaticContact CD1-CD2 3.98Å; F374-Y422 HydrophobicContact CD1-CD2 3.98Å; F374-Y422 HydrophobicContact CD1-CG 4.27Å; F374-Y422 AromaticContact CD2-CD2 3.85Å; F374-Y422 HydrophobicContact CD2-CD2 3.85Å; F374-Y422 HydrophobicContact CE2-CD2 4.48Å; F374-Y422 AromaticContact CG-CD2 3.55Å; F374-Y422 HydrophobicContact CG-CD2 3.55Å; F374-Y422 HydrophobicContact CG-CE2 4.36Å; F374-Y422 HydrophobicContact CG-CG 4.29Å
375	D	94.2	Very high	92.2	Very high	58 Å²	58	49.1 Å²	49.1	31%	0.31	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-38.2	179.1	-67.1	-17.3	0	0	0	111.4	K371 W372 A379	K371-D375 IonicContact NZ-OD1 3.07Å; K371-D375 PolarHBondContact NZ-OD1 3.44Å; K371-D375 IonicContact NZ-OD2 3.88Å; K371-D375 PolarHBondContact NZ-OD2 2.74Å; K371-D375 VanDerWaalsContact O-CG 3.27Å; K371-D375 PolarHBondContact O-N 2.97Å; W372-D375 PolarHBondContact O-N 3.17Å; D375-A379 VanDerWaalsContact O-CB 3.29Å; D375-A379 WeakPolarHBondContact O-CB 3.33Å; D375-A379 PolarHBondContact O-N 2.91Å
376	E	93.9	Very high	91.8	Very high	26 Å²	26	52.3 Å²	52.3	12%	0.121	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-53.1	175.1	-168.7	173.6	98.6	0	0	111.3	W372 I373 F374 Q378 A379 L380 N491 I494	W372-E376 WeakPolarHBondContact O-CB 3.31Å; W372-E376 PolarHBondContact O-N 3.41Å; I373-E376 PolarHBondContact O-N 3.5Å; F374-E376 VanDerWaalsContact C-N 3.31Å; F374-E376 PolarHBondContact O-N 2.77Å; E376-Q378 VanDerWaalsContact C-N 3.3Å; E376-Q378 PolarHBondContact O-N 3.3Å; E376-A379 PolarHBondContact O-N 3.49Å; E376-A379 VanDerWaalsContact O-N 3.12Å; E376-L380 HydrophobicContact CG-CD1 4.4Å; E376-L380 WeakPolarHBondContact O-CG 3.41Å; E376-L380 PolarHBondContact O-N 3.12Å; E376-N491 WeakPolarHBondContact OE1-CB 3.45Å; E376-N491 PolarHBondContact OE2-N 2.84Å; E376-I494 HydrophobicContact CG-CD1 3.55Å
377	E	91.6	Very high	91.5	Very high	43 Å²	43	49.3 Å²	49.3	20%	0.201	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-40.6	177.2	-72.8	-69.7	103.3	0	0	111.7	H299 I373 F374 L380 C381	H299-E377 VanDerWaalsContact CE1-CD 3.46Å; H299-E377 IonicContact CE1-OE1 2.87Å; H299-E377 PolarHBondContact CE1-OE1 3.03Å; H299-E377 IonicContact CE1-OE2 2.95Å; H299-E377 IonicContact CG-OE2 3.55Å; H299-E377 IonicContact ND1-OE1 2.75Å; H299-E377 PolarHBondContact ND1-OE1 2.71Å; H299-E377 VanDerWaalsContact ND1-OE1 3.08Å; H299-E377 IonicContact ND1-OE2 2.8Å; H299-E377 PolarHBondContact ND1-OE2 2.92Å; I373-E377 WeakPolarHBondContact O-CB 3.32Å; I373-E377 WeakPolarHBondContact O-CG 3.5Å; I373-E377 PolarHBondContact O-N 2.94Å; F374-E377 PolarHBondContact O-N 3.01Å; E377-L380 PolarHBondContact O-N 3.2Å; E377-C381 WeakPolarHBondContact O-CB 3.43Å; E377-C381 PolarHBondContact O-N 3.06Å; E377-C381 PolarHBondContact O-SG 3.13Å
378	Q	91.3	Very high	91	Very high	43 Å²	43	50.4 Å²	50.4	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-46.3	174.5	177.6	-179.4	80.6	0	0	111.1	F374 E376 C381 Q382 A419	F374-Q378 HydrophobicContact CE1-CB 4.35Å; F374-Q378 WeakPolarHBondContact O-CB 3.49Å; F374-Q378 PolarHBondContact O-N 3.45Å; E376-Q378 VanDerWaalsContact C-N 3.3Å; E376-Q378 PolarHBondContact O-N 3.3Å; Q378-C381 PolarHBondContact O-N 3.25Å; Q378-Q382 HydrophobicContact CG-CG 4.48Å; Q378-Q382 WeakPolarHBondContact O-CB 3.48Å; Q378-Q382 VanDerWaalsContact O-CG 3.28Å; Q378-Q382 WeakPolarHBondContact O-CG 3.38Å; Q378-Q382 PolarHBondContact O-N 3.19Å; Q378-A419 WeakPolarHBondContact CG-O 3.33Å; Q378-A419 PolarHBondContact NE2-O 2.99Å
379	A	90.5	Very high	90.4	Very high	43 Å²	43	47 Å²	47	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-41.3	178.7	0	0	0	0	0	111.7	D375 E376 Q382 L383	D375-A379 VanDerWaalsContact O-CB 3.29Å; D375-A379 WeakPolarHBondContact O-CB 3.33Å; D375-A379 PolarHBondContact O-N 2.91Å; E376-A379 PolarHBondContact O-N 3.49Å; E376-A379 VanDerWaalsContact O-N 3.12Å; A379-Q382 PolarHBondContact O-N 3.14Å; A379-L383 VanDerWaalsContact O-CB 3.26Å; A379-L383 WeakPolarHBondContact O-CB 3.5Å; A379-L383 PolarHBondContact O-N 3.13Å
380	L	90.6	Very high	89.8	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-46	174.8	-70.9	177.9	0	0	0	111.8	E376 E377 L383 N384 I494 L577 A578	E376-L380 HydrophobicContact CG-CD1 4.4Å; E376-L380 WeakPolarHBondContact O-CG 3.41Å; E376-L380 PolarHBondContact O-N 3.12Å; E377-L380 PolarHBondContact O-N 3.2Å; L380-L383 PolarHBondContact O-N 2.85Å; L380-N384 WeakPolarHBondContact O-CB 3.32Å; L380-N384 VanDerWaalsContact O-CG 3.27Å; L380-N384 PolarHBondContact O-N 3.35Å; L380-N384 PolarHBondContact O-ND2 3.46Å; L380-I494 HydrophobicContact CD2-CD1 4.07Å; L380-I494 HydrophobicContact CD2-CG1 3.91Å; L380-I494 HydrophobicContact CG-CD1 4.34Å; L380-L577 HydrophobicContact CD1-CB 4.11Å; L380-L577 WeakPolarHBondContact CD2-O 3.25Å; L380-A578 HydrophobicContact CD2-CB 4.37Å
381	C	88.9	Confident	89.5	Confident	26 Å²	26	49 Å²	49	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-45.1	174.9	-68.2	0	0	0	0	111	E377 Q378 L383 N384 F385 F417 L418	E377-C381 WeakPolarHBondContact O-CB 3.43Å; E377-C381 PolarHBondContact O-N 3.06Å; E377-C381 PolarHBondContact O-SG 3.13Å; Q378-C381 PolarHBondContact O-N 3.25Å; C381-L383 VanDerWaalsContact C-N 3.3Å; C381-L383 PolarHBondContact O-N 3.1Å; C381-N384 PolarHBondContact O-N 3.05Å; C381-F385 WeakPolarHBondContact O-CB 2.98Å; C381-F385 PolarHBondContact O-N 2.75Å; C381-F417 HydrophobicContact CB-CD1 4.46Å; C381-F417 HydrophobicContact CB-CE1 4.49Å; C381-F417 WeakPolarHBondContact O-CE1 3.33Å; C381-L418 HydrophobicContact CB-CD2 4.36Å
382	Q	88.8	Confident	89.2	Confident	100 Å²	100	46.9 Å²	46.9	47%	0.467	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-40.3	176.1	-73.7	175.4	8.1	0	0	112.2	Q378 A379 F385 R386 L418	Q378-Q382 HydrophobicContact CG-CG 4.48Å; Q378-Q382 WeakPolarHBondContact O-CB 3.48Å; Q378-Q382 VanDerWaalsContact O-CG 3.28Å; Q378-Q382 WeakPolarHBondContact O-CG 3.38Å; Q378-Q382 PolarHBondContact O-N 3.19Å; A379-Q382 PolarHBondContact O-N 3.14Å; Q382-F385 PolarHBondContact O-N 3.35Å; Q382-R386 WeakPolarHBondContact O-CB 3.39Å; Q382-R386 PolarHBondContact O-N 3.12Å; Q382-L418 HydrophobicContact CG-CD2 4.15Å
383	L	88.1	Confident	89.2	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-49.4	178.5	-176.1	66.4	0	0	0	111.5	A379 L380 C381 F385 R386 F387 F498 Y598	A379-L383 VanDerWaalsContact O-CB 3.26Å; A379-L383 WeakPolarHBondContact O-CB 3.5Å; A379-L383 PolarHBondContact O-N 3.13Å; L380-L383 PolarHBondContact O-N 2.85Å; C381-L383 VanDerWaalsContact C-N 3.3Å; C381-L383 PolarHBondContact O-N 3.1Å; L383-F385 VanDerWaalsContact C-N 3.27Å; L383-F385 PolarHBondContact O-N 3.14Å; L383-R386 PolarHBondContact O-N 3.38Å; L383-F387 HydrophobicContact CD1-CD2 3.5Å; L383-F387 HydrophobicContact CD1-CE2 3.45Å; L383-F387 VanDerWaalsContact CD1-CE2 3.45Å; L383-F387 HydrophobicContact CG-CD2 4.25Å; L383-F387 PolarHBondContact O-N 3.42Å; L383-F498 HydrophobicContact CD1-CE1 3.51Å; L383-F498 HydrophobicContact CD1-CE2 4.09Å; L383-F498 HydrophobicContact CD1-CZ 3.21Å; L383-F498 HydrophobicContact CD2-CE1 4.49Å; L383-F498 HydrophobicContact CD2-CZ 4.35Å; L383-F498 HydrophobicContact CG-CZ 4.41Å; L383-Y598 HydrophobicContact CD2-CD2 4.26Å; L383-Y598 HydrophobicContact CD2-CE2 3.57Å; L383-Y598 HydrophobicContact CG-CE2 4.13Å
384	N	85.7	Confident	89.1	Confident	53 Å²	53	45.1 Å²	45.1	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-33	177.9	-70.8	-22.8	0	0	0	111.9	L380 C381 K388 F417 Y598	L380-N384 WeakPolarHBondContact O-CB 3.32Å; L380-N384 VanDerWaalsContact O-CG 3.27Å; L380-N384 PolarHBondContact O-N 3.35Å; L380-N384 PolarHBondContact O-ND2 3.46Å; C381-N384 PolarHBondContact O-N 3.05Å; N384-K388 VanDerWaalsContact O-CA 3.29Å; N384-K388 WeakPolarHBondContact O-CA 3.41Å; N384-K388 VanDerWaalsContact O-CB 3.28Å; N384-K388 WeakPolarHBondContact O-CB 2.75Å; N384-K388 PolarHBondContact O-N 3.47Å; N384-F417 HydrophobicContact CB-CE1 4Å; N384-F417 HydrophobicContact CB-CZ 3.71Å; N384-Y598 PolarHBondContact OD1-OH 3.06Å
385	F	88.4	Confident	89.1	Confident	22 Å²	22	50 Å²	50	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-71	-44.2	176.2	-172.9	-110.1	0	0	0	110.9	S20 C381 Q382 L383 L413 T414 F417 L418	S20-F385 WeakPolarHBondContact CB-O 3.36Å; S20-F385 PolarHBondContact OG-O 3.08Å; C381-F385 WeakPolarHBondContact O-CB 2.98Å; C381-F385 PolarHBondContact O-N 2.75Å; Q382-F385 PolarHBondContact O-N 3.35Å; L383-F385 VanDerWaalsContact C-N 3.27Å; L383-F385 PolarHBondContact O-N 3.14Å; F385-L413 HydrophobicContact CE2-CB 4.49Å; F385-T414 HydrophobicContact CE1-CG2 4.21Å; F385-T414 HydrophobicContact CE2-CG2 4.15Å; F385-T414 HydrophobicContact CZ-CG2 3.72Å; F385-F417 HydrophobicContact CB-CD1 3.73Å; F385-F417 HydrophobicContact CB-CE1 3.56Å; F385-F417 AromaticContact CD2-CD1 3.95Å; F385-F417 HydrophobicContact CD2-CD1 3.95Å; F385-F417 HydrophobicContact CD2-CE1 4.33Å; F385-F417 HydrophobicContact CG-CD1 4.23Å; F385-F417 HydrophobicContact CG-CE1 4.44Å; F385-L418 HydrophobicContact CB-CD2 4.14Å; F385-L418 HydrophobicContact CD1-CD1 4.45Å; F385-L418 HydrophobicContact CG-CD2 4.41Å
386	R	87.4	Confident	89.2	Confident	132 Å²	132	48.1 Å²	48.1	50%	0.498	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-45.7	179.3	-177.2	178.4	178.4	-179.7	-1.3	111.5	S20 N22 Q382 L383	S20-R386 WeakPolarHBondContact OG-CA 3.34Å; S20-R386 PolarHBondContact OG-O 3.39Å; N22-R386 PolarHBondContact ND2-O 3.3Å; Q382-R386 WeakPolarHBondContact O-CB 3.39Å; Q382-R386 PolarHBondContact O-N 3.12Å; L383-R386 PolarHBondContact O-N 3.38Å
387	F	84.8	Confident	89.4	Confident	12 Å²	12	46.9 Å²	46.9	5%	0.053	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	26.3	-177.2	-57.9	-66.7	0	0	0	113.3	N22 L383 D389 F498 P534 K535 Y598	N22-F387 WeakPolarHBondContact ND2-CD1 3.35Å; L383-F387 HydrophobicContact CD1-CD2 3.5Å; L383-F387 HydrophobicContact CD1-CE2 3.45Å; L383-F387 VanDerWaalsContact CD1-CE2 3.45Å; L383-F387 HydrophobicContact CG-CD2 4.25Å; L383-F387 PolarHBondContact O-N 3.42Å; F387-D389 PolarHBondContact O-N 2.85Å; F387-F498 HydrophobicContact CD2-CD1 4.36Å; F387-F498 HydrophobicContact CD2-CE1 4.32Å; F387-F498 AromaticContact CE2-CD1 3.53Å; F387-F498 HydrophobicContact CE2-CD1 3.53Å; F387-F498 HydrophobicContact CE2-CD2 4.18Å; F387-F498 AromaticContact CE2-CE1 3.67Å; F387-F498 HydrophobicContact CE2-CE1 3.67Å; F387-F498 HydrophobicContact CE2-CE2 4.29Å; F387-F498 AromaticContact CE2-CG 3.81Å; F387-F498 HydrophobicContact CE2-CG 3.81Å; F387-F498 HydrophobicContact CE2-CZ 4.05Å; F387-F498 HydrophobicContact CZ-CB 3.94Å; F387-F498 AromaticContact CZ-CD1 3.77Å; F387-F498 HydrophobicContact CZ-CD1 3.77Å; F387-F498 HydrophobicContact CZ-CD2 4.17Å; F387-F498 HydrophobicContact CZ-CE1 4.35Å; F387-F498 AromaticContact CZ-CG 3.66Å; F387-F498 HydrophobicContact CZ-CG 3.66Å; F387-P534 HydrophobicContact CD1-CG 4.08Å; F387-P534 HydrophobicContact CE1-CG 3.92Å; F387-P534 HydrophobicContact CG-CG 4.47Å; F387-P534 HydrophobicContact CZ-CG 4.18Å; F387-K535 WeakPolarHBondContact O-CE 3.4Å; F387-K535 PolarHBondContact O-NZ 2.85Å; F387-Y598 HydrophobicContact CB-CE1 4.16Å; F387-Y598 AromaticContact CD2-CE1 3.94Å; F387-Y598 HydrophobicContact CD2-CE1 3.94Å; F387-Y598 HydrophobicContact CG-CE1 4.27Å
388	K	82.2	Confident	89.7	Confident	95 Å²	95	46.1 Å²	46.1	41%	0.413	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-61.4	132.8	175.2	-159	179.5	-171.8	-171.8	0	109.5	N384 E391	N384-K388 VanDerWaalsContact O-CA 3.29Å; N384-K388 WeakPolarHBondContact O-CA 3.41Å; N384-K388 VanDerWaalsContact O-CB 3.28Å; N384-K388 WeakPolarHBondContact O-CB 2.75Å; N384-K388 PolarHBondContact O-N 3.47Å; K388-E391 VanDerWaalsContact CD-OE1 3.32Å; K388-E391 WeakPolarHBondContact CD-OE1 3.49Å; K388-E391 WeakPolarHBondContact CE-OE1 3.34Å; K388-E391 IonicContact NZ-OE1 3.08Å; K388-E391 PolarHBondContact NZ-OE1 3.17Å
389	D	78.9	Confident	89.9	Confident	50 Å²	50	46 Å²	46	27%	0.267	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-70.3	150.6	173.2	-58.6	-43.2	0	0	0	109.6	F387 E391 L533 K535	F387-D389 PolarHBondContact O-N 2.85Å; D389-E391 PolarHBondContact O-N 2.78Å; D389-L533 WeakPolarHBondContact OD1-CD1 3.26Å; D389-K535 VanDerWaalsContact CG-NZ 3.28Å; D389-K535 IonicContact OD1-NZ 2.69Å; D389-K535 PolarHBondContact OD1-NZ 3.07Å; D389-K535 IonicContact OD2-NZ 2.82Å; D389-K535 PolarHBondContact OD2-NZ 3.44Å; D389-K535 VanDerWaalsContact OD2-NZ 3.15Å
390	K	84.4	Confident	90.3	Very high	73 Å²	73	44.3 Å²	44.3	32%	0.317	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-64.5	117.2	176.8	-174.4	176.7	-177.8	174.7	0	109	D43	D43-K390 IonicContact OD1-NZ 3.69Å; D43-K390 PolarHBondContact OD1-NZ 2.76Å; D43-K390 WeakPolarHBondContact OD2-CE 3.34Å; D43-K390 IonicContact OD2-NZ 2.61Å; D43-K390 PolarHBondContact OD2-NZ 3.13Å
391	E	88.2	Confident	90.6	Very high	30 Å²	30	44 Å²	44	14%	0.14	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.6	147.2	-177.9	-52.4	95.4	141.7	0	0	111	R25 K388 D389 Y396	R25-E391 IonicContact CZ-OE2 2.82Å; R25-E391 IonicContact NH1-OE2 3.45Å; R25-E391 PolarHBondContact NH1-OE2 2.72Å; R25-E391 VanDerWaalsContact NH1-OE2 3.12Å; R25-E391 IonicContact NH2-OE2 2.76Å; R25-E391 PolarHBondContact NH2-OE2 2.79Å; K388-E391 VanDerWaalsContact CD-OE1 3.32Å; K388-E391 WeakPolarHBondContact CD-OE1 3.49Å; K388-E391 WeakPolarHBondContact CE-OE1 3.34Å; K388-E391 IonicContact NZ-OE1 3.08Å; K388-E391 PolarHBondContact NZ-OE1 3.17Å; D389-E391 PolarHBondContact O-N 2.78Å; E391-Y396 HydrophobicContact CB-CD2 3.95Å; E391-Y396 HydrophobicContact CB-CG 4.1Å; E391-Y396 VanDerWaalsContact CD-CD2 3.5Å; E391-Y396 HydrophobicContact CG-CD2 4.02Å; E391-Y396 HydrophobicContact CG-CE2 4.5Å; E391-Y396 VanDerWaalsContact OE1-CE2 3.26Å; E391-Y396 WeakPolarHBondContact OE1-CE2 3.23Å
392	P	90.2	Very high	90.9	Very high	59 Å²	59	43 Å²	43	38%	0.383	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-61.4	140.3	172.4	-11.8	24.4	0	0	0	110.2	Y394 E395 Y396	P392-Y394 VanDerWaalsContact C-N 3.27Å; P392-Y394 PolarHBondContact O-N 3.07Å; P392-Y394 VanDerWaalsContact O-N 3.15Å; P392-E395 WeakPolarHBondContact CB-OE2 3.46Å; P392-E395 PolarHBondContact O-N 3.44Å; P392-Y396 WeakPolarHBondContact O-CB 3.46Å; P392-Y396 PolarHBondContact O-N 3.34Å; P392-Y396 VanDerWaalsContact O-N 3.12Å
393	P	94.2	Very high	91.3	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.045	20%	0.197	C	C	.	.	H	α-helix	trans	-52.5	-40.7	-171.7	-32.2	37.2	0	0	0	114.8	A50 L222 Y396 V397	A50-P393 HydrophobicContact CB-CB 3.58Å; L222-P393 HydrophobicContact CD1-CB 4.14Å; L222-P393 HydrophobicContact CD2-CB 4.14Å; L222-P393 HydrophobicContact CD2-CG 4.32Å; P393-Y396 PolarHBondContact O-N 3.48Å; P393-V397 WeakPolarHBondContact O-CG1 3.07Å; P393-V397 WeakPolarHBondContact O-CG2 3.48Å; P393-V397 PolarHBondContact O-N 3.32Å
394	Y	94.7	Very high	91.7	Very high	42 Å²	42	38.5 Å²	38.5	17%	0.165	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-53.9	-175.4	-174.4	-84.4	0	0	0	112.8	H100 N102 V113 D115 P392 Y396 V397 T398	H100-Y394 HydrophobicContact CB-CE2 4.46Å; N102-Y394 WeakPolarHBondContact CB-OH 3.36Å; N102-Y394 PolarHBondContact N-OH 2.99Å; V113-Y394 HydrophobicContact CB-CE2 4.41Å; V113-Y394 HydrophobicContact CG1-CE1 4.05Å; V113-Y394 HydrophobicContact CG1-CE2 4.1Å; V113-Y394 VanDerWaalsContact CG1-OH 3.31Å; V113-Y394 WeakPolarHBondContact CG1-OH 3.36Å; V113-Y394 HydrophobicContact CG2-CD1 4.36Å; V113-Y394 HydrophobicContact CG2-CD2 3.85Å; V113-Y394 HydrophobicContact CG2-CE1 4.19Å; V113-Y394 HydrophobicContact CG2-CE2 3.67Å; V113-Y394 HydrophobicContact CG2-CG 4.19Å; D115-Y394 HydrophobicContact CB-CD2 4.03Å; P392-Y394 VanDerWaalsContact C-N 3.27Å; P392-Y394 PolarHBondContact O-N 3.07Å; P392-Y394 VanDerWaalsContact O-N 3.15Å; Y394-Y396 VanDerWaalsContact C-N 3.3Å; Y394-Y396 PolarHBondContact O-N 3.48Å; Y394-V397 WeakPolarHBondContact O-CG2 3.24Å; Y394-T398 PolarHBondContact O-N 3.07Å; Y394-T398 PolarHBondContact O-OG1 3.2Å
395	E	94.5	Very high	92.1	Very high	114 Å²	114	37 Å²	37	53%	0.533	19%	0.185	S	C	.	.	H	α-helix	trans	-67	-35.1	177.7	-67.4	77.4	-173.6	0	0	111.2	P392 T398 G399	P392-E395 WeakPolarHBondContact CB-OE2 3.46Å; P392-E395 PolarHBondContact O-N 3.44Å; E395-T398 WeakPolarHBondContact O-CB 3.26Å; E395-T398 PolarHBondContact O-N 2.91Å; E395-G399 PolarHBondContact O-N 2.83Å
396	Y	95.8	Very high	92.3	Very high	18 Å²	18	38.6 Å²	38.6	7%	0.071	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-51.9	-178	-166.2	-135	0	0	0	112.2	R25 Y27 I41 L222 E391 P392 P393 Y394 T398 G399 L400 L413	R25-Y396 VanDerWaalsContact CZ-CE1 3.48Å; R25-Y396 VanDerWaalsContact NH1-CD1 3.34Å; R25-Y396 PolarHBondContact NH2-OH 3.19Å; Y27-Y396 HydrophobicContact CE1-CE1 4.15Å; Y27-Y396 WeakPolarHBondContact OH-CE1 3.49Å; Y27-Y396 PolarHBondContact OH-OH 2.8Å; I41-Y396 HydrophobicContact CD1-CD1 4.05Å; I41-Y396 HydrophobicContact CD1-CE1 3.87Å; L222-Y396 HydrophobicContact CD1-CD1 4.17Å; E391-Y396 HydrophobicContact CB-CD2 3.95Å; E391-Y396 HydrophobicContact CB-CG 4.1Å; E391-Y396 VanDerWaalsContact CD-CD2 3.5Å; E391-Y396 HydrophobicContact CG-CD2 4.02Å; E391-Y396 HydrophobicContact CG-CE2 4.5Å; E391-Y396 VanDerWaalsContact OE1-CE2 3.26Å; E391-Y396 WeakPolarHBondContact OE1-CE2 3.23Å; P392-Y396 WeakPolarHBondContact O-CB 3.46Å; P392-Y396 PolarHBondContact O-N 3.34Å; P392-Y396 VanDerWaalsContact O-N 3.12Å; P393-Y396 PolarHBondContact O-N 3.48Å; Y394-Y396 VanDerWaalsContact C-N 3.3Å; Y394-Y396 PolarHBondContact O-N 3.48Å; Y396-T398 PolarHBondContact O-N 3.11Å; Y396-G399 PolarHBondContact O-N 2.88Å; Y396-L400 HydrophobicContact CD1-CD1 4.07Å; Y396-L400 HydrophobicContact CD2-CD1 4.1Å; Y396-L400 HydrophobicContact CD2-CG 4.29Å; Y396-L400 HydrophobicContact CE1-CD1 3.73Å; Y396-L400 HydrophobicContact CE2-CD1 3.74Å; Y396-L400 HydrophobicContact CE2-CD2 4.33Å; Y396-L400 HydrophobicContact CE2-CG 4.13Å; Y396-L400 HydrophobicContact CG-CD1 4.25Å; Y396-L400 VanDerWaalsContact O-CG 3.3Å; Y396-L400 WeakPolarHBondContact O-CG 3.5Å; Y396-L400 PolarHBondContact O-N 3.41Å; Y396-L400 VanDerWaalsContact O-N 3.1Å; Y396-L413 WeakPolarHBondContact OH-CD2 3.38Å
397	V	98.2	Very high	92.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-33	178.8	-61.4	0	0	0	0	112	A50 C52 V113 V220 L222 P393 Y394 A401	A50-V397 HydrophobicContact CB-CG1 4.03Å; A50-V397 HydrophobicContact CB-CG2 3.79Å; C52-V397 HydrophobicContact CB-CB 4.09Å; C52-V397 HydrophobicContact CB-CG2 3.84Å; V113-V397 HydrophobicContact CG2-CG2 4.07Å; V220-V397 HydrophobicContact CB-CB 4.12Å; V220-V397 HydrophobicContact CB-CG1 4.45Å; V220-V397 HydrophobicContact CG1-CB 3.94Å; V220-V397 HydrophobicContact CG1-CG1 3.82Å; L222-V397 HydrophobicContact CB-CG1 3.77Å; L222-V397 HydrophobicContact CD1-CG1 4.48Å; P393-V397 WeakPolarHBondContact O-CG1 3.07Å; P393-V397 WeakPolarHBondContact O-CG2 3.48Å; P393-V397 PolarHBondContact O-N 3.32Å; Y394-V397 WeakPolarHBondContact O-CG2 3.24Å; V397-A401 WeakPolarHBondContact O-CB 3.49Å; V397-A401 PolarHBondContact O-N 2.92Å
398	T	97.5	Very high	93	Very high	27 Å²	27	38.8 Å²	38.8	17%	0.166	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-50.3	177.3	-57.1	0	0	0	0	111.7	F104 V113 Y394 E395 Y396 G402	F104-T398 HydrophobicContact CE1-CG2 3.74Å; F104-T398 HydrophobicContact CZ-CG2 3.88Å; V113-T398 WeakPolarHBondContact CG2-OG1 3.27Å; Y394-T398 PolarHBondContact O-N 3.07Å; Y394-T398 PolarHBondContact O-OG1 3.2Å; E395-T398 WeakPolarHBondContact O-CB 3.26Å; E395-T398 PolarHBondContact O-N 2.91Å; Y396-T398 PolarHBondContact O-N 3.11Å; T398-G402 PolarHBondContact O-N 3.06Å
399	G	96.3	Very high	93.6	Very high	39 Å²	39	36 Å²	36	40%	0.402	19%	0.188	S	C	.	.	H	α-helix	trans	-61.5	-45.5	178.1	0	0	0	0	0	112	E395 Y396 A401 G402 N403	E395-G399 PolarHBondContact O-N 2.83Å; Y396-G399 PolarHBondContact O-N 2.88Å; G399-A401 PolarHBondContact O-N 3.13Å; G399-G402 PolarHBondContact O-N 2.87Å; G399-N403 PolarHBondContact O-N 2.79Å; G399-N403 PolarHBondContact O-OD1 3.36Å
400	L	97.6	Very high	94.2	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-34.1	-177.6	-63.5	-177.1	0	0	0	113.4	L39 I41 V220 Y396 G402 N403 L404 V412 L413	L39-L400 HydrophobicContact CD2-CB 4.06Å; L39-L400 HydrophobicContact CD2-CD1 3.63Å; L39-L400 HydrophobicContact CD2-CG 4.4Å; I41-L400 HydrophobicContact CD1-CD1 3.81Å; V220-L400 HydrophobicContact CG1-CB 4.46Å; V220-L400 HydrophobicContact CG2-CB 4.11Å; Y396-L400 HydrophobicContact CD1-CD1 4.07Å; Y396-L400 HydrophobicContact CD2-CD1 4.1Å; Y396-L400 HydrophobicContact CD2-CG 4.29Å; Y396-L400 HydrophobicContact CE1-CD1 3.73Å; Y396-L400 HydrophobicContact CE2-CD1 3.74Å; Y396-L400 HydrophobicContact CE2-CD2 4.33Å; Y396-L400 HydrophobicContact CE2-CG 4.13Å; Y396-L400 HydrophobicContact CG-CD1 4.25Å; Y396-L400 VanDerWaalsContact O-CG 3.3Å; Y396-L400 WeakPolarHBondContact O-CG 3.5Å; Y396-L400 PolarHBondContact O-N 3.41Å; Y396-L400 VanDerWaalsContact O-N 3.1Å; L400-G402 VanDerWaalsContact C-N 3.28Å; L400-G402 PolarHBondContact O-N 3.08Å; L400-N403 PolarHBondContact O-N 2.71Å; L400-L404 WeakPolarHBondContact O-CG 3.23Å; L400-L404 PolarHBondContact O-N 3.42Å; L400-V412 HydrophobicContact CB-CG2 4.39Å; L400-V412 HydrophobicContact CD2-CG2 4.28Å; L400-V412 WeakPolarHBondContact CD2-O 3.32Å; L400-L413 HydrophobicContact CD1-CD2 3.75Å; L400-L413 HydrophobicContact CD2-CD2 3.54Å; L400-L413 HydrophobicContact CG-CD2 4.31Å
401	A	97.9	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-39.7	174.1	0	0	0	0	0	110.9	C52 S54 S218 V220 V397 G399	C52-A401 HydrophobicContact CB-CB 3.9Å; C52-A401 VanDerWaalsContact SG-CB 3.54Å; S54-A401 WeakPolarHBondContact OG-CB 3.45Å; S218-A401 WeakPolarHBondContact CB-O 3.48Å; S218-A401 PolarHBondContact OG-O 3.36Å; V220-A401 HydrophobicContact CG2-CB 3.8Å; V397-A401 WeakPolarHBondContact O-CB 3.49Å; V397-A401 PolarHBondContact O-N 2.92Å; G399-A401 PolarHBondContact O-N 3.13Å
402	G	95.6	Very high	94.9	Very high	4 Å²	4	34.7 Å²	34.7	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-45.3	170.9	0	0	0	0	0	112.8	T398 G399 L400 L404 L405 L406	T398-G402 PolarHBondContact O-N 3.06Å; G399-G402 PolarHBondContact O-N 2.87Å; L400-G402 VanDerWaalsContact C-N 3.28Å; L400-G402 PolarHBondContact O-N 3.08Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.35Å; G402-L405 WeakPolarHBondContact O-CB 3.2Å; G402-L405 PolarHBondContact O-N 2.97Å; G402-L406 PolarHBondContact O-N 3.07Å
403	N	96	Very high	95.1	Very high	24 Å²	24	32.5 Å²	32.5	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-38.2	179.3	-75.8	5.6	0	0	0	112.6	G399 L400 L405 L406 Y407 V412 S416	G399-N403 PolarHBondContact O-N 2.79Å; G399-N403 PolarHBondContact O-OD1 3.36Å; L400-N403 PolarHBondContact O-N 2.71Å; N403-L405 PolarHBondContact O-N 3.26Å; N403-L406 PolarHBondContact O-N 2.87Å; N403-Y407 HydrophobicContact CB-CD2 3.82Å; N403-Y407 HydrophobicContact CB-CE2 4.18Å; N403-Y407 PolarHBondContact O-N 3.42Å; N403-V412 HydrophobicContact CB-CG2 3.96Å; N403-V412 WeakPolarHBondContact CB-O 3.36Å; N403-V412 PolarHBondContact ND2-O 3.43Å; N403-S416 PolarHBondContact ND2-OG 3.14Å
404	L	96.4	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-23.5	175.4	-76.5	176.6	0	0	0	113.8	K37 L39 V220 L400 G402 M409 V412	K37-L404 VanDerWaalsContact CD-O 3.25Å; K37-L404 WeakPolarHBondContact CD-O 3.41Å; K37-L404 PolarHBondContact NZ-O 2.93Å; L39-L404 HydrophobicContact CB-CD1 3.88Å; V220-L404 HydrophobicContact CG2-CD1 3.88Å; L400-L404 WeakPolarHBondContact O-CG 3.23Å; L400-L404 PolarHBondContact O-N 3.42Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.35Å; L404-M409 HydrophobicContact CD2-CG 4.36Å; L404-V412 HydrophobicContact CD2-CB 4.06Å; L404-V412 HydrophobicContact CD2-CG2 3.64Å; L404-V412 HydrophobicContact CG-CG2 3.68Å
405	L	94.5	Very high	94.8	Very high	22 Å²	22	30.6 Å²	30.6	12%	0.115	16%	0.161	C	C	.	.	H	α-helix	trans	-81.1	-28.8	175.3	-60.6	-177.8	0	0	0	112.4	N56 K109 S218 G402 N403	N56-L405 HydrophobicContact CB-CD1 4.03Å; N56-L405 HydrophobicContact CB-CD2 3.98Å; K109-L405 HydrophobicContact CB-CD1 4.24Å; K109-L405 HydrophobicContact CD-CD1 4.32Å; S218-L405 WeakPolarHBondContact OG-CD2 3.33Å; S218-L405 WeakPolarHBondContact OG-CG 3.47Å; G402-L405 WeakPolarHBondContact O-CB 3.2Å; G402-L405 PolarHBondContact O-N 2.97Å; N403-L405 PolarHBondContact O-N 3.26Å
406	L	93.1	Very high	94.4	Very high	54 Å²	54	27.9 Å²	27.9	28%	0.283	16%	0.155	S	C	.	.	H	α-helix	trans	-100.7	-39.8	-170.6	-62.8	177.9	0	0	0	113.7	I286 G402 N403	I286-L406 VanDerWaalsContact CG2-O 3.23Å; I286-L406 WeakPolarHBondContact CG2-O 3.45Å; G402-L406 PolarHBondContact O-N 3.07Å; N403-L406 PolarHBondContact O-N 2.87Å
407	Y	94.1	Very high	93.6	Very high	23 Å²	23	29.5 Å²	29.5	9%	0.09	16%	0.162	C	C	.	.	S	Bend	trans	-109.7	167	-172	-51.4	-64.7	0	0	0	111.9	I286 Y289 N403 S416	I286-Y407 HydrophobicContact CD1-CE1 4.05Å; Y289-Y407 AromaticContact CD1-CD1 3.98Å; Y289-Y407 HydrophobicContact CD1-CD1 3.98Å; Y289-Y407 AromaticContact CD2-CD1 3.67Å; Y289-Y407 HydrophobicContact CD2-CD1 3.67Å; Y289-Y407 HydrophobicContact CD2-CE1 4.04Å; Y289-Y407 HydrophobicContact CE1-CD1 4.31Å; Y289-Y407 HydrophobicContact CE2-CD1 4.07Å; Y289-Y407 AromaticContact CG-CD1 3.62Å; Y289-Y407 HydrophobicContact CG-CD1 3.62Å; Y289-Y407 AromaticContact CG-CE1 3.89Å; Y289-Y407 HydrophobicContact CG-CE1 3.89Å; N403-Y407 HydrophobicContact CB-CD2 3.82Å; N403-Y407 HydrophobicContact CB-CE2 4.18Å; N403-Y407 PolarHBondContact O-N 3.42Å; Y407-S416 WeakPolarHBondContact OH-CA 3.42Å; Y407-S416 WeakPolarHBondContact OH-CB 3.41Å
408	E	93.1	Very high	93	Very high	125 Å²	125	30.3 Å²	30.3	58%	0.584	17%	0.166	S	C	*	.			trans	-61	144.1	167.8	-68.3	-56.7	145.1	0	0	110.6	Q410 D411 V412	E408-Q410 HydrophobicContact CB-CG 4.35Å; E408-Q410 PolarHBondContact O-N 2.9Å; E408-Q410 VanDerWaalsContact O-N 3.13Å; E408-D411 PolarHBondContact O-N 2.96Å; E408-V412 PolarHBondContact O-N 3.48Å
409	M	93.7	Very high	92.4	Very high	37 Å²	37	29.4 Å²	29.4	18%	0.182	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-60.1	-32.3	-170.7	-65.7	-173.9	-62	0	0	112.7	V29 K37 L404 D411 V412	V29-M409 HydrophobicContact CB-CB 4.25Å; V29-M409 HydrophobicContact CG1-CB 4.42Å; V29-M409 HydrophobicContact CG2-CB 4.41Å; K37-M409 HydrophobicContact CB-SD 4.31Å; K37-M409 HydrophobicContact CD-CG 4.24Å; K37-M409 HydrophobicContact CD-SD 4.27Å; K37-M409 HydrophobicContact CG-SD 4.06Å; L404-M409 HydrophobicContact CD2-CG 4.36Å; M409-D411 VanDerWaalsContact C-N 3.27Å; M409-D411 PolarHBondContact O-N 3.48Å; M409-V412 WeakPolarHBondContact O-CB 3.19Å; M409-V412 WeakPolarHBondContact O-CG1 3.24Å; M409-V412 PolarHBondContact O-N 3.01Å
410	Q	92.2	Very high	91.9	Very high	96 Å²	96	31.5 Å²	31.5	45%	0.449	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-67.8	-26.7	177.1	66.1	-170.1	44.9	0	0	113.5	P15 E408	P15-Q410 HydrophobicContact CB-CB 3.95Å; E408-Q410 HydrophobicContact CB-CG 4.35Å; E408-Q410 PolarHBondContact O-N 2.9Å; E408-Q410 VanDerWaalsContact O-N 3.13Å
411	D	93.6	Very high	91.7	Very high	29 Å²	29	34.3 Å²	34.3	16%	0.155	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-100	15.2	-177.4	-64.4	-25.3	0	0	0	111.9	Y289 E408 M409 L413 T414 G415	Y289-D411 HydrophobicContact CE2-CB 4.11Å; Y289-D411 PolarHBondContact OH-OD2 2.86Å; E408-D411 PolarHBondContact O-N 2.96Å; M409-D411 VanDerWaalsContact C-N 3.27Å; M409-D411 PolarHBondContact O-N 3.48Å; D411-L413 PolarHBondContact O-N 3.31Å; D411-T414 WeakPolarHBondContact CA-OG1 3.4Å; D411-T414 PolarHBondContact O-N 3.19Å; D411-G415 WeakPolarHBondContact O-CA 3.35Å; D411-G415 PolarHBondContact O-N 3.41Å
412	V	94.8	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.5	-178.1	67	0	0	0	0	113.3	V17 V29 L39 L400 N403 L404 E408 M409	V17-V412 HydrophobicContact CG1-CG1 3.99Å; V17-V412 HydrophobicContact CG2-CG1 4.48Å; V29-V412 HydrophobicContact CG1-CG1 4.32Å; L39-V412 HydrophobicContact CD1-CG1 4.28Å; L39-V412 HydrophobicContact CD2-CG1 4.1Å; L39-V412 HydrophobicContact CD2-CG2 4.18Å; L400-V412 HydrophobicContact CB-CG2 4.39Å; L400-V412 HydrophobicContact CD2-CG2 4.28Å; L400-V412 WeakPolarHBondContact CD2-O 3.32Å; N403-V412 HydrophobicContact CB-CG2 3.96Å; N403-V412 WeakPolarHBondContact CB-O 3.36Å; N403-V412 PolarHBondContact ND2-O 3.43Å; L404-V412 HydrophobicContact CD2-CB 4.06Å; L404-V412 HydrophobicContact CD2-CG2 3.64Å; L404-V412 HydrophobicContact CG-CG2 3.68Å; E408-V412 PolarHBondContact O-N 3.48Å; M409-V412 WeakPolarHBondContact O-CB 3.19Å; M409-V412 WeakPolarHBondContact O-CG1 3.24Å; M409-V412 PolarHBondContact O-N 3.01Å
413	L	94	Very high	91.5	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.073	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-22.4	177.7	-55.7	-172.1	0	0	0	113.8	V17 K19 Y27 F385 Y396 L400 D411	V17-L413 HydrophobicContact CG1-CB 4.35Å; V17-L413 HydrophobicContact CG1-CD1 3.47Å; V17-L413 VanDerWaalsContact CG1-CD1 3.47Å; V17-L413 HydrophobicContact CG1-CG 3.5Å; K19-L413 HydrophobicContact CB-CD1 3.88Å; Y27-L413 HydrophobicContact CD1-CD1 4.3Å; Y27-L413 HydrophobicContact CD2-CD1 4.39Å; Y27-L413 HydrophobicContact CE1-CD1 4.09Å; Y27-L413 HydrophobicContact CE1-CD2 4.19Å; Y27-L413 HydrophobicContact CE2-CD1 4.18Å; Y27-L413 HydrophobicContact CG-CD1 4.44Å; F385-L413 HydrophobicContact CE2-CB 4.49Å; Y396-L413 WeakPolarHBondContact OH-CD2 3.38Å; L400-L413 HydrophobicContact CD1-CD2 3.75Å; L400-L413 HydrophobicContact CD2-CD2 3.54Å; L400-L413 HydrophobicContact CG-CD2 4.31Å; D411-L413 PolarHBondContact O-N 3.31Å
414	T	92.2	Very high	91.5	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.037	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-25.7	-167.6	51.5	0	0	0	0	113.6	Q18 F385 D411 S416 F417 L418	Q18-T414 HydrophobicContact CB-CG2 3.97Å; Q18-T414 HydrophobicContact CG-CG2 4.03Å; F385-T414 HydrophobicContact CE1-CG2 4.21Å; F385-T414 HydrophobicContact CE2-CG2 4.15Å; F385-T414 HydrophobicContact CZ-CG2 3.72Å; D411-T414 WeakPolarHBondContact CA-OG1 3.4Å; D411-T414 PolarHBondContact O-N 3.19Å; T414-S416 VanDerWaalsContact C-N 3.31Å; T414-S416 PolarHBondContact O-N 3.35Å; T414-F417 CarbonylContact O-C 3.37Å; T414-F417 WeakPolarHBondContact O-CA 3.16Å; T414-F417 PolarHBondContact O-N 3.37Å; T414-L418 HydrophobicContact CG2-CD1 3.61Å; T414-L418 HydrophobicContact CG2-CG 4.28Å; T414-L418 PolarHBondContact O-N 3Å
415	G	89.3	Confident	91.5	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.9	-170.3	0	0	0	0	0	114.2	D411 F417	D411-G415 WeakPolarHBondContact O-CA 3.35Å; D411-G415 PolarHBondContact O-N 3.41Å; G415-F417 VanDerWaalsContact C-N 3.3Å
416	S	85.6	Confident	91.5	Very high	57 Å²	57	45.1 Å²	45.1	40%	0.399	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.5	173.7	66.7	0	0	0	0	113.8	N403 Y407 T414	N403-S416 PolarHBondContact ND2-OG 3.14Å; Y407-S416 WeakPolarHBondContact OH-CA 3.42Å; Y407-S416 WeakPolarHBondContact OH-CB 3.41Å; T414-S416 VanDerWaalsContact C-N 3.31Å; T414-S416 PolarHBondContact O-N 3.35Å
417	F	80.9	Confident	91.7	Very high	51 Å²	51	42.7 Å²	42.7	22%	0.224	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-54.4	-164.1	-151.3	-99.2	0	0	0	113.2	Q292 C381 N384 F385 T414 G415	Q292-F417 PolarHBondContact NE2-O 2.88Å; Q292-F417 VanDerWaalsContact NE2-O 3.1Å; C381-F417 HydrophobicContact CB-CD1 4.46Å; C381-F417 HydrophobicContact CB-CE1 4.49Å; C381-F417 WeakPolarHBondContact O-CE1 3.33Å; N384-F417 HydrophobicContact CB-CE1 4Å; N384-F417 HydrophobicContact CB-CZ 3.71Å; F385-F417 HydrophobicContact CB-CD1 3.73Å; F385-F417 HydrophobicContact CB-CE1 3.56Å; F385-F417 AromaticContact CD2-CD1 3.95Å; F385-F417 HydrophobicContact CD2-CD1 3.95Å; F385-F417 HydrophobicContact CD2-CE1 4.33Å; F385-F417 HydrophobicContact CG-CD1 4.23Å; F385-F417 HydrophobicContact CG-CE1 4.44Å; T414-F417 CarbonylContact O-C 3.37Å; T414-F417 WeakPolarHBondContact O-CA 3.16Å; T414-F417 PolarHBondContact O-N 3.37Å; G415-F417 VanDerWaalsContact C-N 3.3Å
418	L	84.2	Confident	91.8	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.089	24%	0.24	C	C	.	.			trans	-92.7	120.3	-173.7	-58.6	-178	0	0	0	111	Q292 C381 Q382 F385 T414 T420	Q292-L418 PolarHBondContact NE2-O 3.41Å; C381-L418 HydrophobicContact CB-CD2 4.36Å; Q382-L418 HydrophobicContact CG-CD2 4.15Å; F385-L418 HydrophobicContact CB-CD2 4.14Å; F385-L418 HydrophobicContact CD1-CD1 4.45Å; F385-L418 HydrophobicContact CG-CD2 4.41Å; T414-L418 HydrophobicContact CG2-CD1 3.61Å; T414-L418 HydrophobicContact CG2-CG 4.28Å; T414-L418 PolarHBondContact O-N 3Å; L418-T420 HydrophobicContact CB-CG2 4.28Å
419	A	84.4	Confident	92	Very high	9 Å²	9	45.9 Å²	45.9	7%	0.074	24%	0.235	C	C	.	.			trans	-83.8	117.2	162.5	0	0	0	0	0	108.2	T290 Q292 F374 Q378	T290-A419 CarbonylContact O-C 3.48Å; T290-A419 WeakPolarHBondContact O-CA 3.36Å; Q292-A419 HydrophobicContact CB-CB 3.98Å; Q292-A419 HydrophobicContact CG-CB 3.93Å; F374-A419 HydrophobicContact CE2-CB 3.76Å; F374-A419 HydrophobicContact CZ-CB 3.99Å; Q378-A419 WeakPolarHBondContact CG-O 3.33Å; Q378-A419 PolarHBondContact NE2-O 2.99Å
420	T	87.1	Confident	92.1	Very high	82 Å²	82	44.3 Å²	44.3	50%	0.503	23%	0.228	S	C	.	.			trans	-111.1	-17.9	-176.1	54.7	0	0	0	0	113.1	T290 L418	T290-T420 PolarHBondContact O-N 3.36Å; L418-T420 HydrophobicContact CB-CG2 4.28Å
421	V	92.6	Very high	92.3	Very high	67 Å²	67	39.9 Å²	39.9	41%	0.406	21%	0.207	S	C	.	.			trans	-119.1	125.4	-177.6	179.3	0	0	0	0	109.8	T290 A291 F374	T290-V421 PolarHBondContact O-N 2.88Å; T290-V421 VanDerWaalsContact O-N 3.1Å; A291-V421 VanDerWaalsContact CA-O 3.27Å; A291-V421 WeakPolarHBondContact CA-O 3.45Å; F374-V421 WeakPolarHBondContact CE2-O 3.36Å; F374-V421 VanDerWaalsContact CZ-C 3.5Å; F374-V421 WeakPolarHBondContact CZ-O 3.05Å
422	Y	94.9	Very high	92.5	Very high	57 Å²	57	41.7 Å²	41.7	22%	0.224	22%	0.222	C	C	.	.			trans	-88.2	111.2	169.7	176.3	-116.3	0	0	0	109.4	P369 K371 F374 P424 I427	P369-Y422 VanDerWaalsContact C-OH 3.26Å; P369-Y422 WeakPolarHBondContact CB-OH 3.36Å; P369-Y422 PolarHBondContact O-OH 3.21Å; K371-Y422 HydrophobicContact CB-CE1 4.14Å; K371-Y422 HydrophobicContact CG-CD1 4.17Å; K371-Y422 HydrophobicContact CG-CE1 4.13Å; K371-Y422 HydrophobicContact CG-CG 4.47Å; F374-Y422 HydrophobicContact CB-CD2 3.7Å; F374-Y422 HydrophobicContact CB-CE2 4.02Å; F374-Y422 AromaticContact CD1-CD2 3.98Å; F374-Y422 HydrophobicContact CD1-CD2 3.98Å; F374-Y422 HydrophobicContact CD1-CG 4.27Å; F374-Y422 AromaticContact CD2-CD2 3.85Å; F374-Y422 HydrophobicContact CD2-CD2 3.85Å; F374-Y422 HydrophobicContact CE2-CD2 4.48Å; F374-Y422 AromaticContact CG-CD2 3.55Å; F374-Y422 HydrophobicContact CG-CD2 3.55Å; F374-Y422 HydrophobicContact CG-CE2 4.36Å; F374-Y422 HydrophobicContact CG-CG 4.29Å; Y422-P424 HydrophobicContact CE1-CB 4.17Å; Y422-P424 HydrophobicContact CE1-CG 3.97Å; Y422-I427 HydrophobicContact CD2-CD1 4.5Å; Y422-I427 HydrophobicContact CE2-CD1 4.05Å
423	D	95.4	Very high	92.6	Very high	54 Å²	54	42.8 Å²	42.8	29%	0.289	23%	0.23	S	C	.	.			trans	-121.5	92.1	178.2	-169	-26.6	0	0	0	110.8	A291 D425 L426 I427	A291-D423 HydrophobicContact CB-CB 4.07Å; D423-D425 VanDerWaalsContact C-N 3.25Å; D423-D425 PolarHBondContact O-N 3.44Å; D423-D425 WeakPolarHBondContact OD1-CB 3.44Å; D423-D425 PolarHBondContact OD1-N 3.37Å; D423-L426 HydrophobicContact CB-CB 3.98Å; D423-L426 PolarHBondContact O-N 2.96Å; D423-L426 PolarHBondContact OD1-N 3.06Å; D423-I427 WeakPolarHBondContact O-CG1 3.2Å; D423-I427 PolarHBondContact O-N 2.89Å
424	P	96	Very high	92.8	Very high	28 Å²	28	42.2 Å²	42.2	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-26.4	179.2	26.3	-33.2	0	0	0	113.1	P369 Y422 R428	P369-P424 HydrophobicContact CB-CB 4.09Å; P369-P424 HydrophobicContact CG-CB 3.91Å; Y422-P424 HydrophobicContact CE1-CB 4.17Å; Y422-P424 HydrophobicContact CE1-CG 3.97Å; P424-R428 WeakPolarHBondContact O-CB 3.47Å; P424-R428 WeakPolarHBondContact O-CG 3.41Å; P424-R428 PolarHBondContact O-N 2.96Å
425	D	95.8	Very high	93	Very high	120 Å²	120	44.4 Å²	44.4	64%	0.642	24%	0.24	S	C	*	.	H	α-helix	trans	-72.1	-40.5	179.4	-69.3	-36.6	0	0	0	110.5	D423 R428 K429	D423-D425 VanDerWaalsContact C-N 3.25Å; D423-D425 PolarHBondContact O-N 3.44Å; D423-D425 WeakPolarHBondContact OD1-CB 3.44Å; D423-D425 PolarHBondContact OD1-N 3.37Å; D425-R428 PolarHBondContact O-N 2.85Å; D425-K429 WeakPolarHBondContact O-CB 3.33Å; D425-K429 PolarHBondContact O-N 3Å
426	L	95	Very high	93.4	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-41.2	173.7	-170	65	0	0	0	111.7	D288 A291 A293 D423 R428 K429 I430	D288-L426 HydrophobicContact CB-CD2 3.75Å; A291-L426 HydrophobicContact CB-CD2 3.85Å; A293-L426 HydrophobicContact CB-CB 3.99Å; A293-L426 HydrophobicContact CB-CD2 3.62Å; A293-L426 HydrophobicContact CB-CG 3.53Å; D423-L426 HydrophobicContact CB-CB 3.98Å; D423-L426 PolarHBondContact O-N 2.96Å; D423-L426 PolarHBondContact OD1-N 3.06Å; L426-R428 PolarHBondContact O-N 3.48Å; L426-K429 HydrophobicContact CD1-CD 4.28Å; L426-K429 WeakPolarHBondContact O-CB 3.34Å; L426-K429 PolarHBondContact O-N 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.35Å; L426-I430 PolarHBondContact O-N 2.7Å
427	I	96.7	Very high	93.9	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-48.1	174	-67.2	166	0	0	0	110.5	A293 Y296 V297 P369 Y422 D423 K429 I430 L431	A293-I427 HydrophobicContact CB-CG1 3.82Å; Y296-I427 HydrophobicContact CD1-CD1 3.92Å; Y296-I427 HydrophobicContact CD1-CG1 4.17Å; Y296-I427 HydrophobicContact CD1-CG2 3.55Å; Y296-I427 HydrophobicContact CD2-CD1 3.97Å; Y296-I427 HydrophobicContact CE1-CD1 4.27Å; Y296-I427 HydrophobicContact CE1-CG2 3.78Å; Y296-I427 HydrophobicContact CE2-CD1 4.31Å; Y296-I427 HydrophobicContact CG-CD1 3.77Å; Y296-I427 HydrophobicContact CG-CG1 4.22Å; Y296-I427 HydrophobicContact CG-CG2 4.41Å; V297-I427 HydrophobicContact CG2-CG2 4.19Å; P369-I427 HydrophobicContact CB-CB 4.33Å; P369-I427 HydrophobicContact CB-CD1 4.09Å; P369-I427 HydrophobicContact CB-CG2 4.01Å; P369-I427 HydrophobicContact CG-CB 4.1Å; P369-I427 HydrophobicContact CG-CG2 3.85Å; Y422-I427 HydrophobicContact CD2-CD1 4.5Å; Y422-I427 HydrophobicContact CE2-CD1 4.05Å; D423-I427 WeakPolarHBondContact O-CG1 3.2Å; D423-I427 PolarHBondContact O-N 2.89Å; I427-K429 VanDerWaalsContact C-N 3.31Å; I427-K429 PolarHBondContact O-N 3.43Å; I427-I430 PolarHBondContact O-N 3.47Å; I427-L431 HydrophobicContact CG2-CD1 4.09Å; I427-L431 PolarHBondContact O-N 2.98Å
428	R	96.6	Very high	94.7	Very high	104 Å²	104	43.9 Å²	43.9	39%	0.392	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-37.9	176.3	-80.2	-179.9	167.5	174.1	-0.8	112.6	D367 P369 P424 D425 L426 L431 S432	D367-R428 PolarHBondContact O-NH2 3.11Å; P369-R428 HydrophobicContact CG-CG 3.94Å; P424-R428 WeakPolarHBondContact O-CB 3.47Å; P424-R428 WeakPolarHBondContact O-CG 3.41Å; P424-R428 PolarHBondContact O-N 2.96Å; D425-R428 PolarHBondContact O-N 2.85Å; L426-R428 PolarHBondContact O-N 3.48Å; R428-L431 PolarHBondContact O-N 2.88Å; R428-S432 WeakPolarHBondContact O-CB 3.38Å; R428-S432 PolarHBondContact O-N 3.36Å; R428-S432 PolarHBondContact O-OG 3.45Å
429	K	95.9	Very high	95.3	Very high	110 Å²	110	43 Å²	43	48%	0.478	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-45.3	175.5	-174.9	-179.6	177.4	-172.5	0	111.1	D425 L426 I427 S432 C433	D425-K429 WeakPolarHBondContact O-CB 3.33Å; D425-K429 PolarHBondContact O-N 3Å; L426-K429 HydrophobicContact CD1-CD 4.28Å; L426-K429 WeakPolarHBondContact O-CB 3.34Å; L426-K429 PolarHBondContact O-N 3.31Å; I427-K429 VanDerWaalsContact C-N 3.31Å; I427-K429 PolarHBondContact O-N 3.43Å; K429-S432 PolarHBondContact O-N 3.41Å; K429-S432 PolarHBondContact O-OG 3.44Å; K429-C433 PolarHBondContact O-N 2.93Å; K429-C433 PolarHBondContact O-SG 2.94Å
430	I	97	Very high	95.9	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-48.9	175.5	-60.9	-56.6	0	0	0	111	I282 A293 P294 V297 L426 I427 S432 C433	I282-I430 HydrophobicContact CB-CD1 4.36Å; I282-I430 HydrophobicContact CD1-CD1 4.4Å; I282-I430 HydrophobicContact CG2-CG2 4.5Å; A293-I430 HydrophobicContact CB-CG1 4.36Å; P294-I430 HydrophobicContact CG-CD1 4.25Å; P294-I430 HydrophobicContact CG-CG1 4.24Å; V297-I430 HydrophobicContact CB-CG2 4.27Å; V297-I430 HydrophobicContact CG1-CG2 4.39Å; V297-I430 HydrophobicContact CG2-CB 4.24Å; V297-I430 HydrophobicContact CG2-CG2 3.95Å; L426-I430 WeakPolarHBondContact O-CG1 3.35Å; L426-I430 PolarHBondContact O-N 2.7Å; I427-I430 PolarHBondContact O-N 3.47Å; I430-S432 PolarHBondContact O-N 3.46Å; I430-C433 VanDerWaalsContact O-CB 3.31Å; I430-C433 WeakPolarHBondContact O-CB 3.39Å; I430-C433 PolarHBondContact O-N 3.31Å
431	L	97.1	Very high	96.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-38.1	177.2	-73.3	169.9	0	0	0	112.2	V297 L364 L365 I427 R428 C433 L434	V297-L431 HydrophobicContact CG1-CD2 3.76Å; V297-L431 HydrophobicContact CG2-CD2 3.98Å; V297-L431 HydrophobicContact CG2-CG 3.91Å; L364-L431 HydrophobicContact CB-CD1 4.14Å; L364-L431 HydrophobicContact CB-CD2 4.17Å; L364-L431 HydrophobicContact CD1-CD2 3.89Å; L365-L431 HydrophobicContact CD2-CB 3.65Å; L365-L431 HydrophobicContact CD2-CD1 4.45Å; L365-L431 HydrophobicContact CG-CB 4.21Å; I427-L431 HydrophobicContact CG2-CD1 4.09Å; I427-L431 PolarHBondContact O-N 2.98Å; R428-L431 PolarHBondContact O-N 2.88Å; L431-C433 PolarHBondContact O-N 2.79Å; L431-L434 HydrophobicContact CD2-CD1 4.25Å; L431-L434 WeakPolarHBondContact O-CB 3.18Å; L431-L434 PolarHBondContact O-N 2.54Å
432	S	96.6	Very high	96.7	Very high	67 Å²	67	36 Å²	36	47%	0.469	19%	0.186	S	C	.	.	H	α-helix	trans	-67.2	-15.9	178.9	78.1	0	0	0	0	114	R428 K429 I430 T435	R428-S432 WeakPolarHBondContact O-CB 3.38Å; R428-S432 PolarHBondContact O-N 3.36Å; R428-S432 PolarHBondContact O-OG 3.45Å; K429-S432 PolarHBondContact O-N 3.41Å; K429-S432 PolarHBondContact O-OG 3.44Å; I430-S432 PolarHBondContact O-N 3.46Å; S432-T435 WeakPolarHBondContact O-CG2 3.18Å
433	C	97.1	Very high	96.9	Very high	23 Å²	23	33.4 Å²	33.4	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-80.1	-17.9	172.5	-60	0	0	0	0	112.1	I282 K429 I430 L431 T435 N438	I282-C433 HydrophobicContact CG2-CB 3.92Å; K429-C433 PolarHBondContact O-N 2.93Å; K429-C433 PolarHBondContact O-SG 2.94Å; I430-C433 VanDerWaalsContact O-CB 3.31Å; I430-C433 WeakPolarHBondContact O-CB 3.39Å; I430-C433 PolarHBondContact O-N 3.31Å; L431-C433 PolarHBondContact O-N 2.79Å; C433-T435 PolarHBondContact O-N 2.92Å; C433-N438 WeakPolarHBondContact O-CB 3.19Å; C433-N438 PolarHBondContact O-ND2 3.09Å
434	L	97.6	Very high	97	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.164	C	C	.	.			trans	-85.3	52.9	-173.5	-52.5	-178.5	0	0	0	112.6	W280 V297 L301 L336 I361 L431	W280-L434 HydrophobicContact CB-CD2 3.61Å; W280-L434 HydrophobicContact CD2-CB 4.44Å; W280-L434 HydrophobicContact CD2-CD2 3.7Å; W280-L434 HydrophobicContact CE3-CD2 3.85Å; W280-L434 HydrophobicContact CG-CB 4.46Å; W280-L434 HydrophobicContact CG-CD2 3.63Å; V297-L434 HydrophobicContact CG1-CD1 3.78Å; L301-L434 HydrophobicContact CD1-CD1 3.71Å; L336-L434 HydrophobicContact CB-CD2 4.2Å; L336-L434 HydrophobicContact CD1-CD1 4.49Å; L336-L434 HydrophobicContact CD1-CD2 4.26Å; L336-L434 HydrophobicContact CD2-CD2 4.05Å; L336-L434 HydrophobicContact CG-CD2 4.41Å; I361-L434 HydrophobicContact CD1-CB 3.88Å; I361-L434 HydrophobicContact CD1-CD1 4.45Å; I361-L434 HydrophobicContact CG2-CB 4.28Å; L431-L434 HydrophobicContact CD2-CD1 4.25Å; L431-L434 WeakPolarHBondContact O-CB 3.18Å; L431-L434 PolarHBondContact O-N 2.54Å
435	T	97.5	Very high	97.1	Very high	52 Å²	52	29.9 Å²	29.9	32%	0.319	16%	0.155	S	C	.	.	S	Bend	trans	-98.2	162.3	-177.3	64.3	0	0	0	0	112.2	W280 S432 C433 D437 N438	W280-T435 PolarHBondContact NE1-O 3.06Å; W280-T435 VanDerWaalsContact NE1-O 3.1Å; S432-T435 WeakPolarHBondContact O-CG2 3.18Å; C433-T435 PolarHBondContact O-N 2.92Å; T435-D437 VanDerWaalsContact C-N 3.28Å; T435-D437 PolarHBondContact O-N 3.5Å; T435-N438 PolarHBondContact O-N 2.92Å; T435-N438 WeakPolarHBondContact OG1-CB 3.19Å; T435-N438 PolarHBondContact OG1-N 2.85Å
436	P	97.4	Very high	97	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.058	14%	0.139	C	C	.	.	S	Bend	trans	-55.4	-42.1	168.7	-27.3	36.7	0	0	0	113.1	Y358 N438 S439 L473 W476 R477	Y358-P436 HydrophobicContact CD1-CG 4.05Å; Y358-P436 HydrophobicContact CD2-CG 4.13Å; Y358-P436 HydrophobicContact CE1-CG 3.78Å; Y358-P436 HydrophobicContact CE2-CB 4.29Å; Y358-P436 HydrophobicContact CE2-CG 3.82Å; Y358-P436 HydrophobicContact CG-CG 4.24Å; Y358-P436 VanDerWaalsContact OH-CA 3.29Å; Y358-P436 WeakPolarHBondContact OH-CA 3.43Å; P436-N438 VanDerWaalsContact C-N 3.28Å; P436-N438 PolarHBondContact O-N 2.89Å; P436-S439 PolarHBondContact O-N 3.43Å; P436-S439 PolarHBondContact O-OG 3.46Å; P436-L473 HydrophobicContact CB-CD2 4.01Å; P436-W476 HydrophobicContact CB-CB 4.06Å; P436-W476 HydrophobicContact CB-CE3 4.32Å; P436-W476 HydrophobicContact CG-CB 3.65Å; P436-R477 HydrophobicContact CB-CG 4.06Å; P436-R477 HydrophobicContact CG-CG 3.9Å
437	D	96.9	Very high	97	Very high	57 Å²	57	30.2 Å²	30.2	31%	0.305	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.9	-178.3	-63.4	-83.6	0	0	0	113.5	L261 K262 T435 R477	L261-D437 WeakPolarHBondContact CB-O 3.33Å; K262-D437 HydrophobicContact CD-CB 4.37Å; T435-D437 VanDerWaalsContact C-N 3.28Å; T435-D437 PolarHBondContact O-N 3.5Å; D437-R477 IonicContact OD1-CZ 3.62Å; D437-R477 IonicContact OD1-NE 2.94Å; D437-R477 PolarHBondContact OD1-NE 2.77Å; D437-R477 IonicContact OD1-NH2 3.66Å; D437-R477 PolarHBondContact OD1-NH2 2.88Å; D437-R477 WeakPolarHBondContact OD2-CD 3.48Å; D437-R477 IonicContact OD2-CZ 3.54Å; D437-R477 IonicContact OD2-NE 2.66Å; D437-R477 PolarHBondContact OD2-NE 2.9Å; D437-R477 IonicContact OD2-NH2 3.54Å
438	N	97.2	Very high	97	Very high	33 Å²	33	30.9 Å²	30.9	18%	0.176	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	22.8	178.8	-165.5	41.5	0	0	0	113	L261 W280 P281 C433 T435 P436	L261-N438 WeakPolarHBondContact CD1-OD1 3.46Å; W280-N438 VanDerWaalsContact CD1-O 3.28Å; P281-N438 WeakPolarHBondContact CD-O 3.47Å; P281-N438 PolarHBondContact O-ND2 2.8Å; C433-N438 WeakPolarHBondContact O-CB 3.19Å; C433-N438 PolarHBondContact O-ND2 3.09Å; T435-N438 PolarHBondContact O-N 2.92Å; T435-N438 WeakPolarHBondContact OG1-CB 3.19Å; T435-N438 PolarHBondContact OG1-N 2.85Å; P436-N438 VanDerWaalsContact C-N 3.28Å; P436-N438 PolarHBondContact O-N 2.89Å
439	S	97.3	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.			trans	-110.2	150.5	-174.8	73.2	0	0	0	0	113.9	K262 M279 P436	K262-S439 PolarHBondContact N-O 2.98Å; M279-S439 WeakPolarHBondContact O-CA 3.42Å; P436-S439 PolarHBondContact O-N 3.43Å; P436-S439 PolarHBondContact O-OG 3.46Å
440	R	97.4	Very high	96.7	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128	162.2	-66.9	173.8	68.4	-152.4	5.8	108.1	E168 L171 C260 L261 I278 M279 F442	E168-R440 PolarHBondContact O-NH2 2.85Å; E168-R440 IonicContact OE1-CZ 2.6Å; E168-R440 IonicContact OE1-NH1 2.97Å; E168-R440 PolarHBondContact OE1-NH1 2.67Å; L171-R440 VanDerWaalsContact CB-NH2 3.28Å; L171-R440 PolarHBondContact O-NH2 2.98Å; C260-R440 WeakPolarHBondContact O-CD 3.46Å; C260-R440 WeakPolarHBondContact O-CG 3.43Å; C260-R440 PolarHBondContact O-NE 3.43Å; L261-R440 HydrophobicContact CD2-CG 4.14Å; I278-R440 WeakPolarHBondContact CA-O 3.39Å; M279-R440 PolarHBondContact N-O 3.02Å; M279-R440 PolarHBondContact O-N 3.41Å; R440-F442 HydrophobicContact CB-CE2 4.02Å
441	V	98	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.8	-177.4	-175.6	0	0	0	0	109.3	K263 M264 V265 M276 N277 I278 M354 L443 I468	K263-V441 PolarHBondContact O-N 2.98Å; M264-V441 CarbonylContact C-O 3.5Å; M264-V441 WeakPolarHBondContact CA-O 3.24Å; M264-V441 HydrophobicContact CE-CB 3.91Å; M264-V441 HydrophobicContact CE-CG1 3.8Å; M264-V441 HydrophobicContact CE-CG2 4.38Å; M264-V441 HydrophobicContact SD-CB 3.6Å; M264-V441 HydrophobicContact SD-CG1 3.42Å; M264-V441 WeakPolarHBondContact SD-CG1 3.31Å; V265-V441 PolarHBondContact N-O 3.16Å; M276-V441 HydrophobicContact CE-CG1 3.54Å; M276-V441 HydrophobicContact CG-CG1 4.11Å; N277-V441 CarbonylContact O-C 3.15Å; I278-V441 HydrophobicContact CG1-CG1 4.43Å; I278-V441 HydrophobicContact CG1-CG2 4.37Å; I278-V441 HydrophobicContact CG2-CG2 4.25Å; M354-V441 HydrophobicContact CE-CG2 3.77Å; M354-V441 HydrophobicContact SD-CG2 4.2Å; V441-L443 HydrophobicContact CG1-CG 4.45Å; V441-I468 HydrophobicContact CG2-CD1 4.5Å
442	F	98.2	Very high	96.5	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.9	175.7	-65	-105.8	0	0	0	109.7	L164 E168 L171 V265 V267 M276 N277 R440	L164-F442 HydrophobicContact CD1-CB 4.31Å; L164-F442 HydrophobicContact CD1-CD1 3.79Å; L164-F442 HydrophobicContact CD1-CE1 4.46Å; L164-F442 HydrophobicContact CD1-CG 4.28Å; E168-F442 HydrophobicContact CB-CE1 4.26Å; E168-F442 HydrophobicContact CB-CZ 3.98Å; E168-F442 HydrophobicContact CG-CE2 4.27Å; E168-F442 HydrophobicContact CG-CZ 3.83Å; L171-F442 HydrophobicContact CD1-CE1 4.37Å; V265-F442 HydrophobicContact CB-CD1 3.63Å; V265-F442 HydrophobicContact CB-CE1 3.92Å; V265-F442 HydrophobicContact CB-CG 4.12Å; V265-F442 HydrophobicContact CG1-CD1 3.72Å; V265-F442 HydrophobicContact CG1-CE1 3.86Å; V265-F442 HydrophobicContact CG2-CD1 4.12Å; V265-F442 HydrophobicContact CG2-CE1 3.95Å; V265-F442 HydrophobicContact CG2-CZ 4.23Å; V265-F442 CarbonylContact O-C 3.48Å; V265-F442 VanDerWaalsContact O-CA 3.3Å; V265-F442 WeakPolarHBondContact O-CA 3.44Å; V267-F442 HydrophobicContact CG2-CD1 4.28Å; M276-F442 CarbonylContact C-O 3.55Å; M276-F442 WeakPolarHBondContact CA-O 3.47Å; N277-F442 HydrophobicContact CB-CB 4.24Å; N277-F442 PolarHBondContact N-O 2.9Å; N277-F442 PolarHBondContact O-N 3.07Å; R440-F442 HydrophobicContact CB-CE2 4.02Å
443	L	98.2	Very high	96.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.3	174.3	-67.7	176.2	0	0	0	109.5	M264 V265 Y266 V267 M276 T350 V441 F448	M264-L443 HydrophobicContact CE-CD1 4.39Å; M264-L443 HydrophobicContact CG-CD1 4.26Å; M264-L443 HydrophobicContact SD-CD1 3.47Å; M264-L443 WeakPolarHBondContact SD-CD1 3.37Å; M264-L443 HydrophobicContact SD-CG 3.69Å; V265-L443 PolarHBondContact O-N 3.45Å; Y266-L443 CarbonylContact C-O 3.6Å; Y266-L443 WeakPolarHBondContact CA-O 3.33Å; Y266-L443 HydrophobicContact CD1-CB 4.15Å; Y266-L443 HydrophobicContact CD1-CD1 4.18Å; Y266-L443 HydrophobicContact CE1-CB 4.46Å; Y266-L443 HydrophobicContact CE1-CD1 3.64Å; V267-L443 PolarHBondContact N-O 2.98Å; M276-L443 HydrophobicContact CB-CD2 3.74Å; M276-L443 HydrophobicContact CG-CD2 3.59Å; M276-L443 HydrophobicContact SD-CD2 3.89Å; T350-L443 HydrophobicContact CG2-CD1 4.09Å; T350-L443 HydrophobicContact CG2-CD2 3.64Å; V441-L443 HydrophobicContact CG1-CG 4.45Å; L443-F448 HydrophobicContact CB-CE2 3.78Å; L443-F448 HydrophobicContact CB-CZ 4.11Å; L443-F448 WeakPolarHBondContact O-CE2 3.29Å
444	V	97.9	Very high	96.2	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.6	-175.5	-171.5	0	0	0	0	108.7	L164 V267 P269 I273 H274 Q275	L164-V444 HydrophobicContact CD1-CG2 4.38Å; L164-V444 HydrophobicContact CD2-CG2 4.45Å; V267-V444 HydrophobicContact CB-CG1 4.49Å; V267-V444 HydrophobicContact CB-CG2 4.2Å; V267-V444 WeakPolarHBondContact O-CA 3.21Å; P269-V444 HydrophobicContact CB-CG1 3.66Å; P269-V444 HydrophobicContact CG-CG1 3.75Å; I273-V444 HydrophobicContact CD1-CG1 4.04Å; I273-V444 HydrophobicContact CG1-CG1 4.15Å; H274-V444 VanDerWaalsContact CA-O 3.29Å; H274-V444 WeakPolarHBondContact CA-O 3.46Å; Q275-V444 HydrophobicContact CB-CB 4.21Å; Q275-V444 PolarHBondContact N-O 2.96Å; Q275-V444 PolarHBondContact O-N 3.13Å
445	S	97.1	Very high	96.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	S	.	.			trans	-164.1	143.6	176.2	-178.3	0	0	0	0	112.6	V267 I273 H274 L347 T447 F448	V267-S445 PolarHBondContact O-N 3.44Å; I273-S445 WeakPolarHBondContact O-CA 3.31Å; H274-S445 PolarHBondContact CE1-OG 2.92Å; H274-S445 PolarHBondContact ND1-OG 3.33Å; L347-S445 WeakPolarHBondContact CD2-OG 3.38Å; S445-T447 WeakPolarHBondContact CB-OG1 3.39Å; S445-T447 PolarHBondContact O-N 3.19Å; S445-T447 WeakPolarHBondContact OG-CG2 3.49Å; S445-T447 PolarHBondContact OG-N 3.37Å; S445-T447 PolarHBondContact OG-OG1 3.02Å; S445-F448 WeakPolarHBondContact O-CD2 3.44Å; S445-F448 PolarHBondContact O-N 3.06Å
446	K	94.6	Very high	96.1	Very high	69 Å²	69	45.1 Å²	45.1	30%	0.3	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-62.8	-21.6	171.2	-75.9	-171.2	174.4	169.9	0	113.4	P269 L270 N271 D272 F448 T449	P269-K446 HydrophobicContact CG-CG 4.17Å; L270-K446 WeakPolarHBondContact O-CE 3.28Å; L270-K446 PolarHBondContact O-NZ 3.21Å; N271-K446 VanDerWaalsContact C-CE 3.48Å; N271-K446 WeakPolarHBondContact O-CE 3.31Å; D272-K446 HydrophobicContact CB-CD 3.99Å; K446-F448 PolarHBondContact O-N 2.87Å; K446-F448 VanDerWaalsContact O-N 3.09Å; K446-T449 WeakPolarHBondContact O-CB 3.26Å; K446-T449 PolarHBondContact O-N 3.42Å; K446-T449 VanDerWaalsContact O-N 3.11Å; K446-T449 PolarHBondContact O-OG1 2.86Å
447	T	95	Very high	95.9	Very high	78 Å²	78	48.2 Å²	48.2	48%	0.479	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.5	-15	176.9	62.9	0	0	0	0	113.4	L347 S445	L347-T447 HydrophobicContact CD2-CG2 4.15Å; L347-T447 WeakPolarHBondContact CD2-OG1 3.05Å; S445-T447 WeakPolarHBondContact CB-OG1 3.39Å; S445-T447 PolarHBondContact O-N 3.19Å; S445-T447 WeakPolarHBondContact OG-CG2 3.49Å; S445-T447 PolarHBondContact OG-N 3.37Å; S445-T447 PolarHBondContact OG-OG1 3.02Å
448	F	95.7	Very high	95.8	Very high	17 Å²	17	48.2 Å²	48.2	8%	0.075	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-90.8	0.7	178	-51.6	-44.3	0	0	0	114.1	Y266 V268 L347 L443 S445 K446 D450 K451 C452	Y266-F448 AromaticContact CD1-CD1 3.81Å; Y266-F448 HydrophobicContact CD1-CD1 3.81Å; Y266-F448 AromaticContact CD1-CD2 3.9Å; Y266-F448 HydrophobicContact CD1-CD2 3.9Å; Y266-F448 AromaticContact CD1-CE1 3.65Å; Y266-F448 HydrophobicContact CD1-CE1 3.65Å; Y266-F448 AromaticContact CD1-CE2 3.74Å; Y266-F448 HydrophobicContact CD1-CE2 3.74Å; Y266-F448 AromaticContact CD1-CG 3.94Å; Y266-F448 HydrophobicContact CD1-CG 3.94Å; Y266-F448 AromaticContact CD1-CZ 3.61Å; Y266-F448 HydrophobicContact CD1-CZ 3.61Å; Y266-F448 HydrophobicContact CE1-CD1 4.45Å; Y266-F448 AromaticContact CE1-CE1 3.96Å; Y266-F448 HydrophobicContact CE1-CE1 3.96Å; Y266-F448 HydrophobicContact CE1-CZ 4.01Å; Y266-F448 HydrophobicContact CG-CD2 4.49Å; Y266-F448 HydrophobicContact CG-CG 4.48Å; V268-F448 HydrophobicContact CG2-CB 4.49Å; L347-F448 HydrophobicContact CD1-CE2 4.31Å; L347-F448 HydrophobicContact CD1-CZ 3.8Å; L347-F448 HydrophobicContact CD2-CZ 4.43Å; L347-F448 HydrophobicContact CG-CZ 4.32Å; L443-F448 HydrophobicContact CB-CE2 3.78Å; L443-F448 HydrophobicContact CB-CZ 4.11Å; L443-F448 WeakPolarHBondContact O-CE2 3.29Å; S445-F448 WeakPolarHBondContact O-CD2 3.44Å; S445-F448 PolarHBondContact O-N 3.06Å; K446-F448 PolarHBondContact O-N 2.87Å; K446-F448 VanDerWaalsContact O-N 3.09Å; F448-D450 PolarHBondContact O-N 3.32Å; F448-D450 VanDerWaalsContact O-N 3.11Å; F448-K451 PolarHBondContact O-N 2.84Å; F448-C452 PolarHBondContact O-N 3.43Å; F448-C452 VanDerWaalsContact O-N 3.12Å
449	T	94.1	Very high	95.7	Very high	69 Å²	69	47 Å²	47	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-42.3	-175.4	-61.4	0	0	0	0	113.2	K446 K451	K446-T449 WeakPolarHBondContact O-CB 3.26Å; K446-T449 PolarHBondContact O-N 3.42Å; K446-T449 VanDerWaalsContact O-N 3.11Å; K446-T449 PolarHBondContact O-OG1 2.86Å; T449-K451 VanDerWaalsContact C-N 3.29Å; T449-K451 PolarHBondContact O-N 3.18Å
450	D	93.7	Very high	95.5	Very high	154 Å²	154	52.4 Å²	52.4	82%	0.824	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.5	-177	-60.4	-30	0	0	0	113.8	F448	F448-D450 PolarHBondContact O-N 3.32Å; F448-D450 VanDerWaalsContact O-N 3.11Å
451	K	93.2	Very high	95.4	Very high	136 Å²	136	52.3 Å²	52.3	59%	0.591	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-26.9	-176.1	-62	-179.7	-177.2	174.9	0	113	F448 T449 V453 L464	F448-K451 PolarHBondContact O-N 2.84Å; T449-K451 VanDerWaalsContact C-N 3.29Å; T449-K451 PolarHBondContact O-N 3.18Å; K451-V453 PolarHBondContact O-N 3.18Å; K451-L464 HydrophobicContact CB-CD2 4.25Å
452	C	95.4	Very high	95.4	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.027	29%	0.287	C	S	.	.			trans	-90.7	98.5	-174.4	-67.9	0	0	0	0	111.3	Y266 V268 F448 K462 Y463	Y266-C452 PolarHBondContact O-SG 3.02Å; V268-C452 HydrophobicContact CG2-CB 3.55Å; F448-C452 PolarHBondContact O-N 3.43Å; F448-C452 VanDerWaalsContact O-N 3.12Å; C452-K462 HydrophobicContact CB-CB 4.22Å; C452-Y463 WeakPolarHBondContact CA-O 3.46Å; C452-Y463 VanDerWaalsContact SG-C 3.59Å
453	V	92.9	Very high	95.4	Very high	120 Å²	120	57 Å²	57	73%	0.727	29%	0.289	S	S	*	.			trans	-102.8	-20.1	-178	-62.7	0	0	0	0	113.8	K451	K451-V453 PolarHBondContact O-N 3.18Å
454	E	95.9	Very high	95.4	Very high	85 Å²	85	58.9 Å²	58.9	40%	0.397	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	147.1	179	-63.3	-177.8	-127.5	0	0	110.2	K462 Y463	E454-K462 CarbonylContact O-C 3.55Å; E454-K462 VanDerWaalsContact O-CA 3.23Å; E454-K462 WeakPolarHBondContact O-CA 3.32Å; E454-Y463 HydrophobicContact CB-CD1 4.04Å; E454-Y463 HydrophobicContact CB-CD2 4.43Å; E454-Y463 HydrophobicContact CB-CE1 3.67Å; E454-Y463 HydrophobicContact CB-CE2 4.07Å; E454-Y463 HydrophobicContact CB-CG 4.42Å; E454-Y463 PolarHBondContact N-O 2.8Å; E454-Y463 WeakPolarHBondContact O-CD1 3.15Å; E454-Y463 PolarHBondContact O-N 3.46Å; E454-Y463 PolarHBondContact OE2-OH 3.34Å
455	E	96.4	Very high	95.4	Very high	96 Å²	96	60.6 Å²	60.6	45%	0.449	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.8	-179.8	-73.4	-175.2	-180	0	0	111.5	T461 K462	E455-T461 WeakPolarHBondContact CA-O 3.32Å; E455-K462 HydrophobicContact CG-CG 3.79Å; E455-K462 WeakPolarHBondContact OE1-CE 3.07Å; E455-K462 IonicContact OE1-NZ 2.77Å
456	E	96.4	Very high	95.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.			trans	-69.8	131.1	171.5	-170	-77.1	123.4	0	0	110.1	L167 N170 W458 Y459 H460 T461	L167-E456 HydrophobicContact CB-CG 4.35Å; L167-E456 HydrophobicContact CD1-CB 4.11Å; L167-E456 HydrophobicContact CD1-CG 4.24Å; N170-E456 HydrophobicContact CB-CG 4.13Å; E456-W458 PolarHBondContact O-N 3.1Å; E456-W458 PolarHBondContact OE1-N 3.13Å; E456-W458 PolarHBondContact OE2-N 3.28Å; E456-Y459 WeakPolarHBondContact OE2-CB 3.23Å; E456-Y459 PolarHBondContact OE2-N 3.3Å; E456-H460 WeakPolarHBondContact O-CA 3.5Å; E456-H460 PolarHBondContact O-N 3.26Å; E456-T461 PolarHBondContact N-O 3.35Å
457	P	93.4	Very high	95.5	Very high	75 Å²	75	65.2 Å²	65.2	49%	0.487	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.2	-168.6	-28.5	35.4	0	0	0	117.7	N170 H460	N170-P457 WeakPolarHBondContact ND2-CD 3.17Å; P457-H460 PolarHBondContact O-CE1 3.38Å
458	W	94.2	Very high	95.6	Very high	57 Å²	57	61.9 Å²	61.9	22%	0.216	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-39.6	-169.7	-59.6	106.6	0	0	0	113.4	H153 Q166 F181 Y187 E456	H153-W458 PolarHBondContact CE1-O 2.76Å; Q166-W458 HydrophobicContact CG-CB 4.3Å; F181-W458 HydrophobicContact CB-CD2 3.86Å; F181-W458 HydrophobicContact CB-CG 4.09Å; F181-W458 HydrophobicContact CB-CZ2 3.94Å; F181-W458 AromaticContact CD1-CD2 3.65Å; F181-W458 HydrophobicContact CD1-CD2 3.65Å; F181-W458 AromaticContact CD1-CE3 3.5Å; F181-W458 HydrophobicContact CD1-CE3 3.5Å; F181-W458 HydrophobicContact CD1-CG 4.24Å; F181-W458 HydrophobicContact CD1-CH2 4.14Å; F181-W458 HydrophobicContact CD1-CZ2 4.27Å; F181-W458 AromaticContact CD1-CZ3 3.75Å; F181-W458 HydrophobicContact CD1-CZ3 3.75Å; F181-W458 HydrophobicContact CD2-CB 4.16Å; F181-W458 HydrophobicContact CD2-CD2 4.21Å; F181-W458 AromaticContact CD2-CG 3.93Å; F181-W458 HydrophobicContact CD2-CG 3.93Å; F181-W458 HydrophobicContact CE1-CD2 4.2Å; F181-W458 AromaticContact CE1-CE3 3.76Å; F181-W458 HydrophobicContact CE1-CE3 3.76Å; F181-W458 HydrophobicContact CE1-CZ3 4.15Å; F181-W458 HydrophobicContact CE2-CB 4.26Å; F181-W458 HydrophobicContact CE2-CG 4.45Å; F181-W458 HydrophobicContact CG-CB 4.49Å; F181-W458 AromaticContact CG-CD2 3.64Å; F181-W458 HydrophobicContact CG-CD2 3.64Å; F181-W458 AromaticContact CG-CE2 3.87Å; F181-W458 HydrophobicContact CG-CE3 4.02Å; F181-W458 AromaticContact CG-CG 3.83Å; F181-W458 HydrophobicContact CG-CG 3.83Å; F181-W458 HydrophobicContact CG-CZ2 4.42Å; F181-W458 HydrophobicContact CZ-CE3 4.48Å; Y187-W458 HydrophobicContact CD1-CH2 4.46Å; Y187-W458 HydrophobicContact CD1-CZ3 4.03Å; E456-W458 PolarHBondContact O-N 3.1Å; E456-W458 PolarHBondContact OE1-N 3.13Å; E456-W458 PolarHBondContact OE2-N 3.28Å
459	Y	94	Very high	95.6	Very high	7 Å²	7	64.2 Å²	64.2	3%	0.027	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-6	-179.5	-71.8	-100.8	0	0	0	112.5	H153 D156 R162 R163 Q166 F181 E456 T461	H153-Y459 AromaticContact ND1-CZ 3.87Å; D156-Y459 HydrophobicContact CB-CE1 4.34Å; D156-Y459 WeakPolarHBondContact O-CE1 3.18Å; R162-Y459 HydrophobicContact CB-CE1 4.04Å; R163-Y459 HydrophobicContact CG-CD1 3.81Å; R163-Y459 HydrophobicContact CG-CG 4.2Å; R163-Y459 PolarHBondContact NH1-O 3.08Å; Q166-Y459 HydrophobicContact CB-CD2 3.7Å; Q166-Y459 HydrophobicContact CB-CE2 3.81Å; Q166-Y459 HydrophobicContact CG-CD2 3.77Å; Q166-Y459 HydrophobicContact CG-CE2 3.93Å; F181-Y459 AromaticContact CE2-CE2 3.89Å; F181-Y459 HydrophobicContact CE2-CE2 3.89Å; E456-Y459 WeakPolarHBondContact OE2-CB 3.23Å; E456-Y459 PolarHBondContact OE2-N 3.3Å; Y459-T461 PolarHBondContact O-N 3.36Å
460	H	93.7	Very high	95.7	Very high	114 Å²	114	66.3 Å²	66.3	53%	0.528	34%	0.337	S	S	.	.			trans	57.1	41.1	-175.5	-50.4	-66.2	0	0	0	111.7	R163 E456 P457 K462	R163-H460 PolarHBondContact NH2-O 2.9Å; R163-H460 VanDerWaalsContact NH2-O 3.17Å; E456-H460 WeakPolarHBondContact O-CA 3.5Å; E456-H460 PolarHBondContact O-N 3.26Å; P457-H460 PolarHBondContact O-CE1 3.38Å; H460-K462 PolarHBondContact O-N 3.43Å
461	T	96.1	Very high	95.8	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	33%	0.327	C	S	.	.			trans	-74.8	119.1	177.2	-53.6	0	0	0	0	109.6	R163 L167 V267 E455 E456 Y459 Y463	R163-T461 HydrophobicContact CB-CG2 4.39Å; R163-T461 WeakPolarHBondContact CB-OG1 3.27Å; R163-T461 VanDerWaalsContact NH2-CA 3.3Å; L167-T461 HydrophobicContact CD2-CG2 4.15Å; V267-T461 HydrophobicContact CG1-CG2 3.64Å; E455-T461 WeakPolarHBondContact CA-O 3.32Å; E456-T461 PolarHBondContact N-O 3.35Å; Y459-T461 PolarHBondContact O-N 3.36Å; T461-Y463 WeakPolarHBondContact O-CD1 3.26Å
462	K	97.5	Very high	95.9	Very high	87 Å²	87	59.1 Å²	59.1	38%	0.378	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.6	177.5	-72.1	-177.9	178.5	-175.4	0	111	V268 C452 E454 E455 H460	V268-K462 HydrophobicContact CB-CB 4.06Å; V268-K462 HydrophobicContact CG2-CB 4.05Å; V268-K462 PolarHBondContact N-O 3.27Å; C452-K462 HydrophobicContact CB-CB 4.22Å; E454-K462 CarbonylContact O-C 3.55Å; E454-K462 VanDerWaalsContact O-CA 3.23Å; E454-K462 WeakPolarHBondContact O-CA 3.32Å; E455-K462 HydrophobicContact CG-CG 3.79Å; E455-K462 WeakPolarHBondContact OE1-CE 3.07Å; E455-K462 IonicContact OE1-NZ 2.77Å; H460-K462 PolarHBondContact O-N 3.43Å
463	Y	98.3	Very high	96	Very high	18 Å²	18	59 Å²	59	7%	0.071	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	171.8	-178.1	73.1	-79	0	0	0	113.3	L167 L171 V265 Y266 C452 E454 T461 V465	L167-Y463 HydrophobicContact CD1-CD1 3.54Å; L167-Y463 HydrophobicContact CD1-CD2 4.05Å; L167-Y463 HydrophobicContact CD1-CE1 3.76Å; L167-Y463 HydrophobicContact CD1-CE2 4.26Å; L167-Y463 HydrophobicContact CD1-CG 3.69Å; L167-Y463 HydrophobicContact CD2-CG 4.15Å; L171-Y463 HydrophobicContact CD1-CD2 4.28Å; L171-Y463 HydrophobicContact CD1-CE2 4.24Å; L171-Y463 HydrophobicContact CD2-CE2 3.67Å; L171-Y463 HydrophobicContact CG-CE2 4.41Å; V265-Y463 HydrophobicContact CG1-CD2 4.49Å; Y266-Y463 CarbonylContact O-C 3.56Å; Y266-Y463 WeakPolarHBondContact O-CA 3.14Å; Y266-Y463 VanDerWaalsContact O-CB 3.25Å; Y266-Y463 WeakPolarHBondContact O-CB 3.25Å; C452-Y463 WeakPolarHBondContact CA-O 3.46Å; C452-Y463 VanDerWaalsContact SG-C 3.59Å; E454-Y463 HydrophobicContact CB-CD1 4.04Å; E454-Y463 HydrophobicContact CB-CD2 4.43Å; E454-Y463 HydrophobicContact CB-CE1 3.67Å; E454-Y463 HydrophobicContact CB-CE2 4.07Å; E454-Y463 HydrophobicContact CB-CG 4.42Å; E454-Y463 PolarHBondContact N-O 2.8Å; E454-Y463 WeakPolarHBondContact O-CD1 3.15Å; E454-Y463 PolarHBondContact O-N 3.46Å; E454-Y463 PolarHBondContact OE2-OH 3.34Å; T461-Y463 WeakPolarHBondContact O-CD1 3.26Å; Y463-V465 HydrophobicContact CD2-CG2 3.65Å; Y463-V465 HydrophobicContact CE2-CG2 3.58Å
464	L	98	Very high	96.2	Very high	43 Å²	43	55.7 Å²	55.7	23%	0.225	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	128.2	170	168.8	67.6	0	0	0	108.3	V265 Y266 K451 I466	V265-L464 CarbonylContact C-O 3.41Å; V265-L464 WeakPolarHBondContact CA-O 3.43Å; Y266-L464 HydrophobicContact CD2-CD2 4.24Å; Y266-L464 HydrophobicContact CD2-CG 4.41Å; Y266-L464 PolarHBondContact N-O 3.19Å; Y266-L464 PolarHBondContact O-N 2.97Å; K451-L464 HydrophobicContact CB-CD2 4.25Å; L464-I466 HydrophobicContact CD1-CG2 4.26Å; L464-I466 HydrophobicContact CD2-CG2 4.22Å; L464-I466 HydrophobicContact CG-CG2 4.05Å
465	V	97.3	Very high	96.2	Very high	43 Å²	43	55.6 Å²	55.6	26%	0.261	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.9	173.4	-176.2	0	0	0	0	109.4	L171 K263 V265 Y463	L171-V465 HydrophobicContact CD1-CG2 3.74Å; L171-V465 HydrophobicContact CD2-CG2 3.9Å; L171-V465 HydrophobicContact CG-CG2 4.48Å; K263-V465 HydrophobicContact CB-CG1 4.21Å; K263-V465 HydrophobicContact CD-CG1 4.07Å; K263-V465 HydrophobicContact CG-CG1 4.28Å; V265-V465 HydrophobicContact CG1-CG2 4.23Å; V265-V465 HydrophobicContact CG2-CG1 4.49Å; V265-V465 HydrophobicContact CG2-CG2 4.23Å; Y463-V465 HydrophobicContact CD2-CG2 3.65Å; Y463-V465 HydrophobicContact CE2-CG2 3.58Å
466	I	96.7	Very high	96.2	Very high	62 Å²	62	51.2 Å²	51.2	32%	0.318	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.8	169.5	67.9	173	0	0	0	110.4	K263 M264 Y266 L464	K263-I466 WeakPolarHBondContact CA-O 3.22Å; M264-I466 HydrophobicContact CB-CD1 4.33Å; M264-I466 HydrophobicContact CB-CG1 3.78Å; M264-I466 HydrophobicContact CG-CG1 4.46Å; M264-I466 PolarHBondContact N-O 2.85Å; M264-I466 PolarHBondContact O-N 3.3Å; Y266-I466 HydrophobicContact CE2-CD1 3.65Å; Y266-I466 HydrophobicContact CE2-CG1 3.92Å; L464-I466 HydrophobicContact CD1-CG2 4.26Å; L464-I466 HydrophobicContact CD2-CG2 4.22Å; L464-I466 HydrophobicContact CG-CG2 4.05Å
467	D	97.1	Very high	96.2	Very high	103 Å²	103	54.8 Å²	54.8	55%	0.551	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	135.3	162.2	-74.1	-55.6	0	0	0	109.6	K263 P469	K263-D467 WeakPolarHBondContact CD-OD1 3.37Å; K263-D467 WeakPolarHBondContact CE-OD1 3.34Å; K263-D467 IonicContact NZ-OD1 3.76Å; K263-D467 PolarHBondContact NZ-OD1 3.35Å; K263-D467 IonicContact NZ-OD2 3.69Å; D467-P469 WeakPolarHBondContact O-CD 3.46Å
468	I	96.8	Very high	96.2	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.041	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-65	124.3	171.9	-61.7	163.8	0	0	0	107.2	K262 M264 V441 E470 T472 L473 W476	K262-I468 WeakPolarHBondContact O-CG1 3.42Å; K262-I468 PolarHBondContact O-N 2.75Å; M264-I468 HydrophobicContact CB-CG1 4.05Å; V441-I468 HydrophobicContact CG2-CD1 4.5Å; I468-E470 PolarHBondContact O-N 3.07Å; I468-T472 HydrophobicContact CG2-CG2 3.97Å; I468-L473 HydrophobicContact CB-CD1 4.36Å; I468-L473 HydrophobicContact CB-CD2 4Å; I468-L473 HydrophobicContact CB-CG 4.01Å; I468-L473 HydrophobicContact CD1-CD2 4.26Å; I468-L473 HydrophobicContact CG2-CD2 3.76Å; I468-L473 HydrophobicContact CG2-CG 3.69Å; I468-W476 HydrophobicContact CD1-CH2 4.25Å; I468-W476 HydrophobicContact CD1-CZ3 3.72Å; I468-W476 HydrophobicContact CG1-CZ3 4.43Å; I468-W476 HydrophobicContact CG2-CE3 4.46Å; I468-W476 HydrophobicContact CG2-CH2 3.89Å; I468-W476 HydrophobicContact CG2-CZ3 3.73Å
469	P	96.2	Very high	96.2	Very high	66 Å²	66	55.2 Å²	55.2	43%	0.429	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-54.3	137.2	179.9	-30.3	38.5	0	0	0	112.4	D467 N471 T472 L473	D467-P469 WeakPolarHBondContact O-CD 3.46Å; P469-N471 WeakPolarHBondContact CB-OD1 3.46Å; P469-N471 PolarHBondContact O-N 3.1Å; P469-T472 WeakPolarHBondContact O-CA 3.46Å; P469-T472 WeakPolarHBondContact O-CB 3.48Å; P469-T472 PolarHBondContact O-N 2.97Å; P469-L473 PolarHBondContact O-N 3.42Å
470	E	96.5	Very high	96.1	Very high	113 Å²	113	58.6 Å²	58.6	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-29.5	-175.1	-176.5	57.1	-154.2	0	0	112.9	I468 S474 R477	I468-E470 PolarHBondContact O-N 3.07Å; E470-S474 VanDerWaalsContact O-CB 3.25Å; E470-S474 WeakPolarHBondContact O-CB 3.41Å; E470-S474 PolarHBondContact O-N 3.01Å; E470-R477 IonicContact OE1-CZ 3.03Å; E470-R477 IonicContact OE1-NH1 3.27Å; E470-R477 PolarHBondContact OE1-NH1 3.06Å; E470-R477 IonicContact OE1-NH2 2.72Å; E470-R477 IonicContact OE2-NH1 3.32Å; E470-R477 IonicContact OE2-NH2 2.7Å; E470-R477 PolarHBondContact OE2-NH2 3.41Å
471	N	95.9	Very high	96.1	Very high	114 Å²	114	56.7 Å²	56.7	61%	0.61	31%	0.31	S	S	*	.	H	α-helix	trans	-64.2	-42.3	171.7	62.1	-22.8	0	0	0	111.9	P469 S474 V475	P469-N471 WeakPolarHBondContact CB-OD1 3.46Å; P469-N471 PolarHBondContact O-N 3.1Å; N471-S474 PolarHBondContact O-N 3.14Å; N471-V475 WeakPolarHBondContact O-CG2 3.47Å; N471-V475 PolarHBondContact O-N 3.35Å; N471-V475 VanDerWaalsContact O-N 3.08Å
472	T	96.2	Very high	96	Very high	25 Å²	25	57.7 Å²	57.7	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-46.2	175.3	-59.7	0	0	0	0	111	I468 P469 S474 V475 W476	I468-T472 HydrophobicContact CG2-CG2 3.97Å; P469-T472 WeakPolarHBondContact O-CA 3.46Å; P469-T472 WeakPolarHBondContact O-CB 3.48Å; P469-T472 PolarHBondContact O-N 2.97Å; T472-S474 VanDerWaalsContact C-N 3.29Å; T472-S474 PolarHBondContact O-N 3.37Å; T472-V475 PolarHBondContact O-N 3.12Å; T472-W476 HydrophobicContact CG2-CD2 4.03Å; T472-W476 VanDerWaalsContact CG2-CE2 3.42Å; T472-W476 HydrophobicContact CG2-CE3 4.44Å; T472-W476 HydrophobicContact CG2-CH2 3.78Å; T472-W476 HydrophobicContact CG2-CZ2 3.27Å; T472-W476 HydrophobicContact CG2-CZ3 4.35Å; T472-W476 PolarHBondContact O-N 3.17Å
473	L	96.1	Very high	95.8	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-42.3	174.5	-71.1	173.3	0	0	0	111.5	K262 P436 I468 P469 V475 W476 R477	K262-L473 HydrophobicContact CB-CD1 4.1Å; K262-L473 HydrophobicContact CD-CD1 3.83Å; K262-L473 HydrophobicContact CG-CD1 4.01Å; K262-L473 HydrophobicContact CG-CD2 4.32Å; P436-L473 HydrophobicContact CB-CD2 4.01Å; I468-L473 HydrophobicContact CB-CD1 4.36Å; I468-L473 HydrophobicContact CB-CD2 4Å; I468-L473 HydrophobicContact CB-CG 4.01Å; I468-L473 HydrophobicContact CD1-CD2 4.26Å; I468-L473 HydrophobicContact CG2-CD2 3.76Å; I468-L473 HydrophobicContact CG2-CG 3.69Å; P469-L473 PolarHBondContact O-N 3.42Å; L473-V475 VanDerWaalsContact C-N 3.34Å; L473-V475 PolarHBondContact O-N 3.47Å; L473-W476 HydrophobicContact CD2-CE3 4.08Å; L473-W476 HydrophobicContact CD2-CZ3 4.3Å; L473-W476 PolarHBondContact O-N 2.89Å; L473-R477 WeakPolarHBondContact O-CB 3.38Å; L473-R477 VanDerWaalsContact O-CG 3.27Å; L473-R477 WeakPolarHBondContact O-CG 3.43Å; L473-R477 PolarHBondContact O-N 3.42Å
474	S	96.7	Very high	95.6	Very high	50 Å²	50	63.8 Å²	63.8	35%	0.35	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-41.1	177.4	-172.2	0	0	0	0	112.5	E470 N471 T472 N478	E470-S474 VanDerWaalsContact O-CB 3.25Å; E470-S474 WeakPolarHBondContact O-CB 3.41Å; E470-S474 PolarHBondContact O-N 3.01Å; N471-S474 PolarHBondContact O-N 3.14Å; T472-S474 VanDerWaalsContact C-N 3.29Å; T472-S474 PolarHBondContact O-N 3.37Å; S474-N478 WeakPolarHBondContact O-CB 3.49Å; S474-N478 PolarHBondContact O-N 2.83Å; S474-N478 VanDerWaalsContact O-N 3.16Å; S474-N478 PolarHBondContact O-ND2 3.45Å; S474-N478 PolarHBondContact OG-ND2 2.89Å
475	V	96.1	Very high	95.5	Very high	84 Å²	84	62 Å²	62	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-48.8	173.6	171	0	0	0	0	110.2	N471 T472 L473 N478 S479	N471-V475 WeakPolarHBondContact O-CG2 3.47Å; N471-V475 PolarHBondContact O-N 3.35Å; N471-V475 VanDerWaalsContact O-N 3.08Å; T472-V475 PolarHBondContact O-N 3.12Å; L473-V475 VanDerWaalsContact C-N 3.34Å; L473-V475 PolarHBondContact O-N 3.47Å; V475-N478 CarbonylContact O-C 3.56Å; V475-N478 PolarHBondContact O-N 2.91Å; V475-S479 PolarHBondContact O-N 3.45Å; V475-S479 PolarHBondContact O-OG 3.24Å
476	W	96.9	Very high	95.4	Very high	3 Å²	3	67.1 Å²	67.1	1%	0.011	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-45.5	-178.9	-64.7	-14	0	0	0	112.9	M264 M354 Y358 P436 I468 T472 L473 N478 S479	M264-W476 HydrophobicContact CE-CH2 4.23Å; M354-W476 HydrophobicContact CB-CD2 4.06Å; M354-W476 HydrophobicContact CB-CH2 4.16Å; M354-W476 HydrophobicContact CB-CZ2 3.46Å; M354-W476 VanDerWaalsContact CB-CZ2 3.46Å; M354-W476 HydrophobicContact CE-CE3 4.13Å; M354-W476 HydrophobicContact CE-CH2 4.12Å; M354-W476 HydrophobicContact CE-CZ3 3.86Å; M354-W476 HydrophobicContact CG-CH2 3.8Å; M354-W476 HydrophobicContact CG-CZ2 3.52Å; M354-W476 HydrophobicContact CG-CZ3 4.44Å; Y358-W476 HydrophobicContact CD2-CB 3.53Å; Y358-W476 HydrophobicContact CD2-CD2 4.28Å; Y358-W476 AromaticContact CD2-CG 3.78Å; Y358-W476 HydrophobicContact CD2-CG 3.78Å; Y358-W476 HydrophobicContact CE2-CB 3.74Å; Y358-W476 AromaticContact CE2-CD2 3.88Å; Y358-W476 HydrophobicContact CE2-CD2 3.88Å; Y358-W476 AromaticContact CE2-CE3 3.82Å; Y358-W476 HydrophobicContact CE2-CE3 3.82Å; Y358-W476 AromaticContact CE2-CG 3.85Å; Y358-W476 HydrophobicContact CE2-CG 3.85Å; Y358-W476 HydrophobicContact CG-CB 4.41Å; P436-W476 HydrophobicContact CB-CB 4.06Å; P436-W476 HydrophobicContact CB-CE3 4.32Å; P436-W476 HydrophobicContact CG-CB 3.65Å; I468-W476 HydrophobicContact CD1-CH2 4.25Å; I468-W476 HydrophobicContact CD1-CZ3 3.72Å; I468-W476 HydrophobicContact CG1-CZ3 4.43Å; I468-W476 HydrophobicContact CG2-CE3 4.46Å; I468-W476 HydrophobicContact CG2-CH2 3.89Å; I468-W476 HydrophobicContact CG2-CZ3 3.73Å; T472-W476 HydrophobicContact CG2-CD2 4.03Å; T472-W476 VanDerWaalsContact CG2-CE2 3.42Å; T472-W476 HydrophobicContact CG2-CE3 4.44Å; T472-W476 HydrophobicContact CG2-CH2 3.78Å; T472-W476 HydrophobicContact CG2-CZ2 3.27Å; T472-W476 HydrophobicContact CG2-CZ3 4.35Å; T472-W476 PolarHBondContact O-N 3.17Å; L473-W476 HydrophobicContact CD2-CE3 4.08Å; L473-W476 HydrophobicContact CD2-CZ3 4.3Å; L473-W476 PolarHBondContact O-N 2.89Å; W476-N478 PolarHBondContact O-N 3.02Å; W476-S479 WeakPolarHBondContact CA-OG 3.44Å; W476-S479 WeakPolarHBondContact O-CB 3.31Å; W476-S479 PolarHBondContact O-N 3.14Å; W476-S479 PolarHBondContact O-OG 2.62Å
477	R	96	Very high	95.3	Very high	76 Å²	76	66 Å²	66	29%	0.287	35%	0.353	S	S	.	.	H	α-helix	trans	-59.1	-35.7	177.7	-71.9	180	-160.8	122.6	-5.5	112.5	P436 D437 E470 L473	P436-R477 HydrophobicContact CB-CG 4.06Å; P436-R477 HydrophobicContact CG-CG 3.9Å; D437-R477 IonicContact OD1-CZ 3.62Å; D437-R477 IonicContact OD1-NE 2.94Å; D437-R477 PolarHBondContact OD1-NE 2.77Å; D437-R477 IonicContact OD1-NH2 3.66Å; D437-R477 PolarHBondContact OD1-NH2 2.88Å; D437-R477 WeakPolarHBondContact OD2-CD 3.48Å; D437-R477 IonicContact OD2-CZ 3.54Å; D437-R477 IonicContact OD2-NE 2.66Å; D437-R477 PolarHBondContact OD2-NE 2.9Å; D437-R477 IonicContact OD2-NH2 3.54Å; E470-R477 IonicContact OE1-CZ 3.03Å; E470-R477 IonicContact OE1-NH1 3.27Å; E470-R477 PolarHBondContact OE1-NH1 3.06Å; E470-R477 IonicContact OE1-NH2 2.72Å; E470-R477 IonicContact OE2-NH1 3.32Å; E470-R477 IonicContact OE2-NH2 2.7Å; E470-R477 PolarHBondContact OE2-NH2 3.41Å; L473-R477 WeakPolarHBondContact O-CB 3.38Å; L473-R477 VanDerWaalsContact O-CG 3.27Å; L473-R477 WeakPolarHBondContact O-CG 3.43Å; L473-R477 PolarHBondContact O-N 3.42Å
478	N	94.7	Very high	95.2	Very high	126 Å²	126	61.5 Å²	61.5	67%	0.674	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	16.2	-176.3	-62.6	-56.9	0	0	0	113.3	S474 V475 W476 S480	S474-N478 WeakPolarHBondContact O-CB 3.49Å; S474-N478 PolarHBondContact O-N 2.83Å; S474-N478 VanDerWaalsContact O-N 3.16Å; S474-N478 PolarHBondContact O-ND2 3.45Å; S474-N478 PolarHBondContact OG-ND2 2.89Å; V475-N478 CarbonylContact O-C 3.56Å; V475-N478 PolarHBondContact O-N 2.91Å; W476-N478 PolarHBondContact O-N 3.02Å; N478-S480 PolarHBondContact O-N 2.69Å
479	S	92.9	Very high	95	Very high	14 Å²	14	68 Å²	68	10%	0.098	36%	0.36	C	S	.	.			trans	-60.4	128.4	179.4	-59.2	0	0	0	0	110.5	N362 V475 W476	N362-S479 PolarHBondContact ND2-O 3.18Å; V475-S479 PolarHBondContact O-N 3.45Å; V475-S479 PolarHBondContact O-OG 3.24Å; W476-S479 WeakPolarHBondContact CA-OG 3.44Å; W476-S479 WeakPolarHBondContact O-CB 3.31Å; W476-S479 PolarHBondContact O-N 3.14Å; W476-S479 PolarHBondContact O-OG 2.62Å
480	S	93	Very high	94.9	Very high	79 Å²	79	68.7 Å²	68.7	55%	0.552	36%	0.364	S	S	*	.			trans	-70.9	-177.4	171.5	64.8	0	0	0	0	111.4	Q359 N478	Q359-S480 WeakPolarHBondContact CA-O 3.34Å; Q359-S480 WeakPolarHBondContact CB-O 3.42Å; Q359-S480 WeakPolarHBondContact CG-O 3.5Å; N478-S480 PolarHBondContact O-N 2.69Å
481	T	93	Very high	94.7	Very high	73 Å²	73	64 Å²	64	45%	0.448	34%	0.343	S	S	.	.			trans	-74.8	163.1	162.3	57.3	0	0	0	0	110.4	M363	M363-T481 HydrophobicContact CB-CG2 4.06Å
482	N	93.7	Very high	94.5	Very high	23 Å²	23	62.8 Å²	62.8	12%	0.123	34%	0.341	C	S	.	.			trans	-120.7	123	174.6	179	-15.5	0	0	0	109.5	Q359 E484 L485	Q359-N482 HydrophobicContact CB-CB 4.05Å; Q359-N482 HydrophobicContact CG-CB 4.46Å; Q359-N482 PolarHBondContact OE1-ND2 2.75Å; N482-E484 PolarHBondContact O-N 3.3Å; N482-E484 PolarHBondContact OD1-N 2.93Å; N482-L485 HydrophobicContact CB-CB 4.45Å; N482-L485 HydrophobicContact CB-CD1 3.9Å; N482-L485 HydrophobicContact CB-CG 4.18Å; N482-L485 WeakPolarHBondContact O-CB 3.37Å; N482-L485 PolarHBondContact O-N 3.21Å; N482-L485 VanDerWaalsContact O-N 3.08Å
483	P	93.3	Very high	94.2	Very high	106 Å²	106	62.7 Å²	62.7	69%	0.688	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.6	-175.2	28.3	-37	0	0	0	115.5	L485 R486	P483-L485 VanDerWaalsContact C-N 3.35Å; P483-R486 PolarHBondContact O-NE 3Å
484	E	94	Very high	94	Very high	126 Å²	126	64.6 Å²	64.6	59%	0.589	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.4	173.1	-66.3	-175.1	-149.4	0	0	112.4	L312 N482	L312-E484 HydrophobicContact CD1-CB 4.45Å; L312-E484 VanDerWaalsContact CD1-OE2 3.24Å; L312-E484 WeakPolarHBondContact CD1-OE2 3.26Å; N482-E484 PolarHBondContact O-N 3.3Å; N482-E484 PolarHBondContact OD1-N 2.93Å
485	L	96.4	Very high	93.8	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	33%	0.334	C	S	.	.			trans	-87.6	132.1	177.7	-66.8	175.5	0	0	0	110.1	G307 L309 L312 N356 Q359 Y360 M363 N482 P483	G307-L485 WeakPolarHBondContact O-CA 3.4Å; L309-L485 HydrophobicContact CD2-CD1 4.31Å; L309-L485 HydrophobicContact CD2-CD2 4.19Å; L312-L485 HydrophobicContact CB-CD2 4.26Å; L312-L485 HydrophobicContact CD2-CD1 4.47Å; L312-L485 HydrophobicContact CD2-CD2 3.91Å; L312-L485 HydrophobicContact CD2-CG 4.26Å; N356-L485 WeakPolarHBondContact O-CD1 3.2Å; Q359-L485 HydrophobicContact CB-CD1 4.25Å; Y360-L485 HydrophobicContact CD2-CB 3.83Å; Y360-L485 HydrophobicContact CD2-CD1 4.04Å; Y360-L485 HydrophobicContact CD2-CD2 3.94Å; Y360-L485 HydrophobicContact CD2-CG 4.13Å; Y360-L485 HydrophobicContact CE2-CB 4.34Å; M363-L485 HydrophobicContact SD-CB 4.45Å; N482-L485 HydrophobicContact CB-CB 4.45Å; N482-L485 HydrophobicContact CB-CD1 3.9Å; N482-L485 HydrophobicContact CB-CG 4.18Å; N482-L485 WeakPolarHBondContact O-CB 3.37Å; N482-L485 PolarHBondContact O-N 3.21Å; N482-L485 VanDerWaalsContact O-N 3.08Å; P483-L485 VanDerWaalsContact C-N 3.35Å
486	R	94.8	Very high	93.6	Very high	152 Å²	152	63.4 Å²	63.4	57%	0.574	34%	0.34	S	S	*	.			trans	-145.5	163.5	-174.8	-57.2	-177.6	-173.1	-179.8	1	111.1	G307 Y360 P483	G307-R486 PolarHBondContact O-N 3.18Å; Y360-R486 PolarHBondContact OH-O 2.98Å; P483-R486 PolarHBondContact O-NE 3Å
487	F	95.1	Very high	93.3	Very high	38 Å²	38	68.2 Å²	68.2	17%	0.167	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-61.8	153.5	161.9	-71.7	-79.6	0	0	0	110.3	L300 M363 L364 D367 Q370 I373	L300-F487 HydrophobicContact CD1-CE1 4.37Å; L300-F487 HydrophobicContact CD2-CD1 4.18Å; M363-F487 HydrophobicContact CE-CD2 4.44Å; M363-F487 HydrophobicContact CE-CE2 4.42Å; L364-F487 HydrophobicContact CD2-CD1 4.11Å; L364-F487 HydrophobicContact CD2-CE1 3.39Å; L364-F487 HydrophobicContact CD2-CZ 3.73Å; D367-F487 HydrophobicContact CB-CE2 4.32Å; D367-F487 HydrophobicContact CB-CZ 4.36Å; D367-F487 WeakPolarHBondContact OD2-CE2 3.32Å; Q370-F487 HydrophobicContact CG-CD1 4.12Å; Q370-F487 HydrophobicContact CG-CE1 3.82Å; Q370-F487 HydrophobicContact CG-CE2 4.4Å; Q370-F487 HydrophobicContact CG-CZ 3.98Å; I373-F487 HydrophobicContact CD1-CD1 3.7Å; I373-F487 HydrophobicContact CD1-CE1 4.36Å
488	P	94.5	Very high	93.1	Very high	8 Å²	8	67 Å²	67	5%	0.052	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-60.7	156.9	171.9	27.4	-34.6	0	0	0	111.1	L300 W372 I373	L300-P488 HydrophobicContact CD2-CG 4.22Å; W372-P488 HydrophobicContact CH2-CG 4.34Å; W372-P488 WeakPolarHBondContact CH2-O 3.33Å; W372-P488 WeakPolarHBondContact CZ2-O 3.46Å; I373-P488 HydrophobicContact CD1-CG 4.29Å
489	E	93.1	Very high	92.9	Very high	145 Å²	145	67 Å²	67	68%	0.678	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-83	152.2	169.4	-63.1	-68.9	162.6	0	0	109.6	N491	E489-N491 PolarHBondContact O-N 3.1Å
490	P	93.5	Very high	92.8	Very high	81 Å²	81	70.3 Å²	70.3	53%	0.526	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-54.1	137	176.4	-26.4	34.8	0	0	0	112.8	W372 P492	W372-P490 HydrophobicContact CH2-CG 4.41Å; W372-P490 HydrophobicContact CZ3-CB 4.38Å; W372-P490 HydrophobicContact CZ3-CG 4.16Å; P490-P492 VanDerWaalsContact O-CD 3.27Å; P490-P492 WeakPolarHBondContact O-CD 3.47Å
491	N	92.7	Very high	92.5	Very high	14 Å²	14	68.5 Å²	68.5	8%	0.075	36%	0.361	C	S	.	.			trans	-76.9	112	-169.7	-173.4	-14.2	0	0	0	112.7	E376 E489 F493 I494 S574	E376-N491 WeakPolarHBondContact OE1-CB 3.45Å; E376-N491 PolarHBondContact OE2-N 2.84Å; E489-N491 PolarHBondContact O-N 3.1Å; N491-F493 PolarHBondContact O-N 3.05Å; N491-F493 WeakPolarHBondContact OD1-CB 3.37Å; N491-F493 PolarHBondContact OD1-N 3.44Å; N491-F493 VanDerWaalsContact OD1-N 3.08Å; N491-I494 HydrophobicContact CB-CD1 4Å; N491-I494 HydrophobicContact CB-CG1 4Å; N491-S574 PolarHBondContact ND2-O 3.08Å; N491-S574 PolarHBondContact OD1-O 2.99Å
492	P	90.9	Very high	91.8	Very high	88 Å²	88	73.3 Å²	73.3	57%	0.571	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-9.1	-175.1	33.4	-36.7	0	0	0	113.8	P490	P490-P492 VanDerWaalsContact O-CD 3.27Å; P490-P492 WeakPolarHBondContact O-CD 3.47Å
493	F	91.5	Very high	90.5	Very high	23 Å²	23	76.8 Å²	76.8	10%	0.101	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.8	-173.4	-72.2	-67.3	0	0	0	113.7	N491 A495 L571 A578 M580 F605	N491-F493 PolarHBondContact O-N 3.05Å; N491-F493 WeakPolarHBondContact OD1-CB 3.37Å; N491-F493 PolarHBondContact OD1-N 3.44Å; N491-F493 VanDerWaalsContact OD1-N 3.08Å; F493-A495 PolarHBondContact O-N 3.31Å; F493-L571 HydrophobicContact CE2-CD1 4.24Å; F493-L571 HydrophobicContact CZ-CD1 4.28Å; F493-A578 HydrophobicContact CB-CB 3.73Å; F493-M580 HydrophobicContact CB-CE 3.43Å; F493-M580 VanDerWaalsContact CB-CE 3.43Å; F493-M580 HydrophobicContact CD1-CE 3.62Å; F493-M580 HydrophobicContact CG-CE 3.9Å; F493-M580 WeakPolarHBondContact O-CE 3.06Å; F493-F605 HydrophobicContact CD1-CD2 4.49Å; F493-F605 HydrophobicContact CE1-CB 4.42Å; F493-F605 AromaticContact CE1-CD2 3.92Å; F493-F605 HydrophobicContact CE1-CD2 3.92Å; F493-F605 HydrophobicContact CZ-CD2 4.32Å
494	I	92.3	Very high	88.8	Confident	42 Å²	42	77.5 Å²	77.5	22%	0.215	39%	0.389	C	S	.	.			trans	-60.4	122	178.2	-58.1	-177.9	0	0	0	109.8	E376 L380 N491 A578	E376-I494 HydrophobicContact CG-CD1 3.55Å; L380-I494 HydrophobicContact CD2-CD1 4.07Å; L380-I494 HydrophobicContact CD2-CG1 3.91Å; L380-I494 HydrophobicContact CG-CD1 4.34Å; N491-I494 HydrophobicContact CB-CD1 4Å; N491-I494 HydrophobicContact CB-CG1 4Å; I494-A578 HydrophobicContact CG1-CB 4.27Å
495	A	92.4	Very high	86.9	Confident	5 Å²	5	77 Å²	77	4%	0.041	38%	0.383	C	S	.	.			trans	-74.9	135.1	179.1	0	0	0	0	0	111	F493 F498 Y598	F493-A495 PolarHBondContact O-N 3.31Å; A495-F498 HydrophobicContact CB-CE1 3.77Å; A495-F498 HydrophobicContact CB-CZ 4.08Å; A495-F498 WeakPolarHBondContact O-CZ 3.34Å; A495-Y598 HydrophobicContact CB-CD2 3.99Å; A495-Y598 HydrophobicContact CB-CG 3.9Å
496	T	91	Very high	84.8	Confident	104 Å²	104	83.1 Å²	83.1	64%	0.638	42%	0.423	S	S	*	.			trans	-114.8	-16.4	176	53.8	0	0	0	0	113.1	H600	T496-H600 PolarHBondContact N-ND1 2.8Å; T496-H600 PolarHBondContact OG1-CE1 2.77Å
497	E	91.1	Very high	82.4	Confident	105 Å²	105	80.6 Å²	80.6	49%	0.491	43%	0.425	S	S	.	.			trans	-114.8	134.4	-179.4	-58.9	-175.7	-174.9	0	0	110.8	H600	E497-H600 HydrophobicContact CB-CB 4.14Å; E497-H600 WeakPolarHBondContact O-CB 3.37Å; E497-H600 IonicContact OE2-CD2 3.04Å
498	F	91.5	Very high	80.3	Confident	49 Å²	49	85.6 Å²	85.6	22%	0.215	45%	0.453	C	S	.	.			trans	-132.9	26.6	-172.6	-55.8	-69.7	0	0	0	112.4	L383 F387 A495 P534 Y598	L383-F498 HydrophobicContact CD1-CE1 3.51Å; L383-F498 HydrophobicContact CD1-CE2 4.09Å; L383-F498 HydrophobicContact CD1-CZ 3.21Å; L383-F498 HydrophobicContact CD2-CE1 4.49Å; L383-F498 HydrophobicContact CD2-CZ 4.35Å; L383-F498 HydrophobicContact CG-CZ 4.41Å; F387-F498 HydrophobicContact CD2-CD1 4.36Å; F387-F498 HydrophobicContact CD2-CE1 4.32Å; F387-F498 AromaticContact CE2-CD1 3.53Å; F387-F498 HydrophobicContact CE2-CD1 3.53Å; F387-F498 HydrophobicContact CE2-CD2 4.18Å; F387-F498 AromaticContact CE2-CE1 3.67Å; F387-F498 HydrophobicContact CE2-CE1 3.67Å; F387-F498 HydrophobicContact CE2-CE2 4.29Å; F387-F498 AromaticContact CE2-CG 3.81Å; F387-F498 HydrophobicContact CE2-CG 3.81Å; F387-F498 HydrophobicContact CE2-CZ 4.05Å; F387-F498 HydrophobicContact CZ-CB 3.94Å; F387-F498 AromaticContact CZ-CD1 3.77Å; F387-F498 HydrophobicContact CZ-CD1 3.77Å; F387-F498 HydrophobicContact CZ-CD2 4.17Å; F387-F498 HydrophobicContact CZ-CE1 4.35Å; F387-F498 AromaticContact CZ-CG 3.66Å; F387-F498 HydrophobicContact CZ-CG 3.66Å; A495-F498 HydrophobicContact CB-CE1 3.77Å; A495-F498 HydrophobicContact CB-CZ 4.08Å; A495-F498 WeakPolarHBondContact O-CZ 3.34Å; F498-P534 HydrophobicContact CB-CB 4.06Å; F498-P534 HydrophobicContact CB-CG 4.01Å; F498-P534 HydrophobicContact CD1-CB 4.21Å; F498-P534 HydrophobicContact CD1-CG 3.79Å; F498-P534 HydrophobicContact CG-CG 4.36Å; F498-Y598 HydrophobicContact CD1-CD1 4.41Å; F498-Y598 HydrophobicContact CE1-CD1 4.16Å; F498-Y598 HydrophobicContact CE1-CE1 4.38Å
499	N	91	Very high	78.6	Confident	126 Å²	126	86.6 Å²	86.6	67%	0.674	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-68	139.3	-178.4	-61.4	-40.4	0	0	0	110.9	N696	N499-N696 PolarHBondContact O-ND2 3.39Å
500	L	89.8	Confident	77.8	Confident	84 Å²	84	84.5 Å²	84.5	44%	0.44	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-90.9	137.8	174.2	-59.7	178.2	0	0	0	110.2	N532 P534 N696	L500-N532 HydrophobicContact CD1-CB 3.94Å; L500-N532 WeakPolarHBondContact CD1-O 3.17Å; L500-N532 WeakPolarHBondContact CD2-O 3.34Å; L500-P534 HydrophobicContact CD2-CB 4.5Å; L500-N696 WeakPolarHBondContact CA-OD1 3.22Å
501	V	86.4	Confident	77.6	Confident	42 Å²	42	82.8 Å²	82.8	26%	0.255	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-69.7	128.8	177.9	173.6	0	0	0	0	109.8	N696 T698	V501-N696 WeakPolarHBondContact CG2-OD1 3.45Å; V501-N696 PolarHBondContact N-OD1 2.82Å; V501-T698 HydrophobicContact CB-CG2 4.44Å; V501-T698 HydrophobicContact CG1-CG2 3.48Å; V501-T698 VanDerWaalsContact CG1-CG2 3.48Å; V501-T698 HydrophobicContact CG2-CG2 4.01Å
502	E	79.5	Confident	77.6	Confident	174 Å²	174	82.2 Å²	82.2	81%	0.813	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-65.2	141.7	176.4	-71	-173.3	171.7	0	0	112.4	K504	E502-K504 PolarHBondContact O-N 3.1Å; E502-K504 VanDerWaalsContact O-N 3.16Å
503	N	66.5	Low	77.6	Confident	95 Å²	95	80.5 Å²	80.5	51%	0.508	42%	0.42	S	S	.	.			trans	-72.5	105.8	179.2	-70.8	-45.9	0	0	0	110.8	Y505	N503-Y505 PolarHBondContact O-N 3.19Å
504	K	57.6	Low	77.7	Confident	122 Å²	122	79.6 Å²	79.6	53%	0.53	42%	0.416	S	S	.	.	S	Bend	trans	-69.7	-10.9	179	-71.1	-172.9	178.8	171.7	0	114.9	E502 E700	E502-K504 PolarHBondContact O-N 3.1Å; E502-K504 VanDerWaalsContact O-N 3.16Å; K504-E700 IonicContact NZ-OE1 2.63Å; K504-E700 PolarHBondContact NZ-OE1 3.39Å; K504-E700 IonicContact NZ-OE2 3.36Å; K504-E700 PolarHBondContact NZ-OE2 2.86Å
505	Y	54.5	Low	77.7	Confident	114 Å²	114	77.6 Å²	77.6	45%	0.447	41%	0.406	S	S	.	.			trans	-131.7	128.7	-176.1	-60.2	-75.9	0	0	0	113	N503 T507	N503-Y505 PolarHBondContact O-N 3.19Å; Y505-T507 PolarHBondContact O-N 3.46Å
506	P	50.5	Low	77.8	Confident	135 Å²	135	77.9 Å²	77.9	88%	0.877	41%	0.406	S	S	*	.			trans	-77.6	15.8	176.9	28.7	-32.5	0	0	0	115.2
507	T	45.9	Very low	78	Confident	99 Å²	99	72.9 Å²	72.9	61%	0.607	38%	0.376	S	S	*	.	S	Bend	trans	-123.6	144.5	-170.8	38.2	0	0	0	0	115.2	Y505 A509 R529	Y505-T507 PolarHBondContact O-N 3.46Å; T507-A509 VanDerWaalsContact C-N 3.32Å; T507-A509 PolarHBondContact O-N 2.89Å; T507-R529 PolarHBondContact O-NH1 2.83Å
508	N	50.1	Low	78.1	Confident	142 Å²	142	69 Å²	69	76%	0.759	36%	0.359	S	S	*	.			trans	-61.8	56.3	-172.4	-68.9	-10	0	0	0	116.5	E510	N508-E510 PolarHBondContact O-N 3.01Å
509	A	58.4	Low	78	Confident	29 Å²	29	71.2 Å²	71.2	24%	0.24	37%	0.373	C	S	.	.			trans	-65.8	98.7	167.5	0	0	0	0	0	109.5	T507 F526	T507-A509 VanDerWaalsContact C-N 3.32Å; T507-A509 PolarHBondContact O-N 2.89Å; A509-F526 WeakPolarHBondContact O-CE2 3.47Å
510	E	77.5	Confident	78.2	Confident	101 Å²	101	65.7 Å²	65.7	47%	0.472	34%	0.343	S	S	.	.			trans	-92.9	-4.8	178.4	-71	177.9	179.4	0	0	113	N508 R893 K909	N508-E510 PolarHBondContact O-N 3.01Å; E510-R893 PolarHBondContact O-NH2 3.39Å; E510-K909 VanDerWaalsContact OE2-CE 3.25Å; E510-K909 WeakPolarHBondContact OE2-CE 3.46Å; E510-K909 IonicContact OE2-NZ 3.84Å; E510-K909 PolarHBondContact OE2-NZ 2.93Å
511	I	88.5	Confident	78.4	Confident	46 Å²	46	61.7 Å²	61.7	24%	0.236	32%	0.322	C	S	.	.	S	Bend	trans	-130.8	154.8	-176.2	64.4	174.3	0	0	0	110.6	F908 K909 M990 F992	I511-F908 HydrophobicContact CB-CB 4Å; I511-F908 HydrophobicContact CB-CD2 4Å; I511-F908 HydrophobicContact CB-CG 4.31Å; I511-F908 HydrophobicContact CG2-CB 3.72Å; I511-F908 HydrophobicContact CG2-CD2 4.49Å; I511-K909 HydrophobicContact CG2-CD 4.4Å; I511-K909 HydrophobicContact CG2-CG 4.02Å; I511-M990 HydrophobicContact CD1-CE 4.27Å; I511-F992 HydrophobicContact CD1-CE1 4.24Å
512	P	92.8	Very high	78.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	31%	0.311	C	S	.	.			trans	-56.8	146.5	171	-26.2	35.8	0	0	0	113.3	W524 Y525 F526 F692 L897 F908	P512-W524 HydrophobicContact CB-CE3 4.29Å; P512-Y525 WeakPolarHBondContact CA-O 3.26Å; P512-F526 HydrophobicContact CB-CB 4.29Å; P512-F526 HydrophobicContact CG-CB 4.28Å; P512-F526 HydrophobicContact CG-CG 4.38Å; P512-F692 HydrophobicContact CB-CE2 4.16Å; P512-F692 HydrophobicContact CG-CE2 4.13Å; P512-F692 HydrophobicContact CG-CZ 4.33Å; P512-L897 HydrophobicContact CG-CB 4.33Å; P512-L897 HydrophobicContact CG-CD1 3.99Å; P512-L897 HydrophobicContact CG-CD2 3.88Å; P512-L897 HydrophobicContact CG-CG 4.29Å; P512-F908 HydrophobicContact CB-CE1 4.31Å; P512-F908 HydrophobicContact CB-CE2 4.25Å; P512-F908 HydrophobicContact CB-CZ 4.01Å; P512-F908 HydrophobicContact CG-CD1 3.94Å; P512-F908 HydrophobicContact CG-CD2 4.48Å; P512-F908 HydrophobicContact CG-CE1 3.79Å; P512-F908 HydrophobicContact CG-CE2 4.32Å; P512-F908 HydrophobicContact CG-CG 4.29Å; P512-F908 HydrophobicContact CG-CZ 3.99Å
513	E	91.5	Very high	79.7	Confident	53 Å²	53	51.6 Å²	51.6	25%	0.248	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.3	176.8	-61.1	176.9	142.1	0	0	110.3	L515 W524 Y525 K995	E513-L515 PolarHBondContact O-N 3.12Å; E513-W524 CarbonylContact O-C 3.6Å; E513-W524 WeakPolarHBondContact O-CA 3.16Å; E513-Y525 PolarHBondContact N-O 3.07Å; E513-Y525 PolarHBondContact O-N 2.88Å; E513-K995 VanDerWaalsContact CD-CE 3.43Å; E513-K995 WeakPolarHBondContact OE1-CE 3.3Å; E513-K995 IonicContact OE1-NZ 2.69Å; E513-K995 PolarHBondContact OE1-NZ 3.4Å; E513-K995 VanDerWaalsContact OE2-CE 3.3Å; E513-K995 WeakPolarHBondContact OE2-CE 3.3Å; E513-K995 IonicContact OE2-NZ 2.76Å; E513-K995 PolarHBondContact OE2-NZ 2.93Å
514	L	93.9	Very high	81.1	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	108.2	171	-179.6	61.4	0	0	0	108.5	I516 E517 R522 W524 F992 S994 K995 L1001	L514-I516 WeakPolarHBondContact CD1-O 3.31Å; L514-E517 HydrophobicContact CD1-CB 4.48Å; L514-E517 HydrophobicContact CD2-CB 4.1Å; L514-E517 HydrophobicContact CG-CB 4.44Å; L514-R522 HydrophobicContact CD1-CG 3.71Å; L514-W524 HydrophobicContact CB-CE3 4.18Å; L514-W524 HydrophobicContact CB-CH2 4.29Å; L514-W524 HydrophobicContact CB-CZ3 3.97Å; L514-W524 HydrophobicContact CD1-CD2 4.32Å; L514-W524 HydrophobicContact CD1-CZ2 4.25Å; L514-F992 HydrophobicContact CB-CB 4.11Å; L514-F992 HydrophobicContact CD2-CB 3.91Å; L514-S994 CarbonylContact O-C 3.57Å; L514-S994 VanDerWaalsContact O-CA 3.31Å; L514-S994 WeakPolarHBondContact O-CA 3.34Å; L514-K995 PolarHBondContact O-N 2.7Å; L514-L1001 HydrophobicContact CD2-CB 4.24Å; L514-L1001 HydrophobicContact CD2-CD1 4.16Å
515	L	92.4	Very high	82.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-54.2	177.8	-67.4	-172.8	0	0	0	111.3	E513 I523 Y525 E699 A702 K995 C996	E513-L515 PolarHBondContact O-N 3.12Å; L515-I523 PolarHBondContact N-O 2.83Å; L515-Y525 HydrophobicContact CD1-CD1 4.23Å; L515-Y525 HydrophobicContact CD1-CD2 4.34Å; L515-Y525 HydrophobicContact CD1-CG 3.73Å; L515-Y525 HydrophobicContact CD2-CD1 4.26Å; L515-Y525 HydrophobicContact CD2-CG 4.48Å; L515-Y525 VanDerWaalsContact CG-CB 3.43Å; L515-Y525 HydrophobicContact CG-CD1 4.49Å; L515-Y525 HydrophobicContact CG-CG 4.22Å; L515-E699 HydrophobicContact CD1-CG 4.05Å; L515-E699 HydrophobicContact CD2-CG 3.89Å; L515-A702 HydrophobicContact CD1-CB 3.9Å; L515-K995 HydrophobicContact CD2-CB 4.45Å; L515-K995 HydrophobicContact CD2-CD 4.1Å; L515-K995 PolarHBondContact O-N 2.73Å; L515-C996 WeakPolarHBondContact O-CB 3.41Å; L515-C996 PolarHBondContact O-N 2.86Å; L515-C996 PolarHBondContact O-SG 3.13Å; L515-C996 VanDerWaalsContact O-SG 3.35Å
516	I	94.5	Very high	84.8	Confident	10 Å²	10	37.4 Å²	37.4	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.8	-170.8	-58.1	174.4	0	0	0	108.7	L514 T518 R522 I523 I703 H706 C996	L514-I516 WeakPolarHBondContact CD1-O 3.31Å; I516-T518 HydrophobicContact CG2-CG2 3.84Å; I516-R522 CarbonylContact O-C 3.57Å; I516-R522 VanDerWaalsContact O-CA 3.28Å; I516-R522 WeakPolarHBondContact O-CA 3.31Å; I516-I523 HydrophobicContact CB-CB 4.06Å; I516-I523 HydrophobicContact CB-CG1 4.11Å; I516-I523 HydrophobicContact CD1-CG1 4.31Å; I516-I523 HydrophobicContact CG1-CB 4.48Å; I516-I523 PolarHBondContact N-O 3.12Å; I516-I523 PolarHBondContact O-N 2.96Å; I516-I703 HydrophobicContact CD1-CG1 4.43Å; I516-H706 HydrophobicContact CD1-CB 4.3Å; I516-H706 WeakPolarHBondContact CD1-ND1 3.28Å; I516-C996 HydrophobicContact CG1-CB 4.35Å
517	E	94.2	Very high	86.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	102.4	171.6	179.2	73.2	-178.8	0	0	108.5	L514 R522 N999 R1002	L514-E517 HydrophobicContact CD1-CB 4.48Å; L514-E517 HydrophobicContact CD2-CB 4.1Å; L514-E517 HydrophobicContact CG-CB 4.44Å; E517-R522 IonicContact OE1-CZ 3.43Å; E517-R522 IonicContact OE1-NE 3.78Å; E517-R522 IonicContact OE1-NH2 2.9Å; E517-R522 PolarHBondContact OE1-NH2 3.45Å; E517-R522 WeakPolarHBondContact OE2-CB 3.34Å; E517-R522 VanDerWaalsContact OE2-CG 3.31Å; E517-R522 WeakPolarHBondContact OE2-CG 3.3Å; E517-R522 IonicContact OE2-CZ 3.57Å; E517-R522 IonicContact OE2-NE 3.84Å; E517-R522 PolarHBondContact OE2-NE 3.09Å; E517-R522 IonicContact OE2-NH2 3.82Å; E517-N999 HydrophobicContact CB-CB 4.11Å; E517-N999 HydrophobicContact CG-CB 4.18Å; E517-N999 WeakPolarHBondContact O-CB 3.4Å; E517-N999 PolarHBondContact O-ND2 2.9Å; E517-R1002 HydrophobicContact CG-CG 4.46Å; E517-R1002 WeakPolarHBondContact OE1-CB 3.29Å; E517-R1002 PolarHBondContact OE1-N 2.73Å
518	T	93	Very high	88.8	Confident	23 Å²	23	27.6 Å²	27.6	14%	0.141	14%	0.144	C	C	.	.			trans	-125.1	176.3	-179	61.3	0	0	0	0	110.4	I516 M520 S521 E997	I516-T518 HydrophobicContact CG2-CG2 3.84Å; T518-M520 PolarHBondContact O-N 2.8Å; T518-M520 PolarHBondContact OG1-N 3.31Å; T518-S521 PolarHBondContact N-O 2.87Å; T518-S521 PolarHBondContact OG1-N 2.94Å; T518-S521 PolarHBondContact OG1-O 3.14Å; T518-S521 VanDerWaalsContact OG1-O 3.07Å; T518-E997 WeakPolarHBondContact CG2-OE1 3.39Å; T518-E997 WeakPolarHBondContact CG2-OE2 3.27Å
519	D	90.7	Very high	90.3	Very high	95 Å²	95	24.8 Å²	24.8	51%	0.508	12%	0.123	S	C	.	.	S	Bend	trans	-62.2	-22.3	171.8	-64.1	-11.8	0	0	0	113.4	P721 R1002	D519-P721 HydrophobicContact CB-CB 4.1Å; D519-P721 HydrophobicContact CB-CG 4.41Å; D519-R1002 IonicContact OD1-CZ 2.76Å; D519-R1002 IonicContact OD1-NH1 2.71Å; D519-R1002 PolarHBondContact OD1-NH1 3.11Å
520	M	93.7	Very high	91.5	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.049	13%	0.131	C	C	.	.	S	Bend	trans	-111.2	-16.3	-175	-165.2	173.9	-178.8	0	0	113.4	T518 I687 F688 I689 R710 V714 P721	T518-M520 PolarHBondContact O-N 2.8Å; T518-M520 PolarHBondContact OG1-N 3.31Å; M520-I687 HydrophobicContact CE-CD1 3.83Å; M520-I687 HydrophobicContact CE-CG1 3.71Å; M520-F688 VanDerWaalsContact C-CD2 3.49Å; M520-F688 CarbonylContact O-C 3.58Å; M520-F688 WeakPolarHBondContact O-CA 3.12Å; M520-I689 PolarHBondContact O-N 3.32Å; M520-R710 HydrophobicContact SD-CG 4.37Å; M520-V714 HydrophobicContact CE-CG2 3.77Å; M520-V714 HydrophobicContact SD-CG2 3.88Å; M520-P721 HydrophobicContact CB-CB 4.21Å; M520-P721 HydrophobicContact CB-CG 4.12Å; M520-P721 HydrophobicContact CG-CG 4.47Å
521	S	95.4	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.2	-168.6	-53.7	0	0	0	0	113.6	T518 I689 H706	T518-S521 PolarHBondContact N-O 2.87Å; T518-S521 PolarHBondContact OG1-N 2.94Å; T518-S521 PolarHBondContact OG1-O 3.14Å; T518-S521 VanDerWaalsContact OG1-O 3.07Å; S521-I689 CarbonylContact C-O 3.57Å; S521-I689 WeakPolarHBondContact CA-O 3.44Å; S521-H706 WeakPolarHBondContact CB-NE2 3.5Å; S521-H706 PolarHBondContact OG-NE2 3.04Å
522	R	95.2	Very high	91.5	Very high	5 Å²	5	27 Å²	27	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.8	168.7	174.2	179.8	-59.6	152.5	0.6	109.7	L514 I516 E517 F688 I689 E690 G691 Y906 R1002	L514-R522 HydrophobicContact CD1-CG 3.71Å; I516-R522 CarbonylContact O-C 3.57Å; I516-R522 VanDerWaalsContact O-CA 3.28Å; I516-R522 WeakPolarHBondContact O-CA 3.31Å; E517-R522 IonicContact OE1-CZ 3.43Å; E517-R522 IonicContact OE1-NE 3.78Å; E517-R522 IonicContact OE1-NH2 2.9Å; E517-R522 PolarHBondContact OE1-NH2 3.45Å; E517-R522 WeakPolarHBondContact OE2-CB 3.34Å; E517-R522 VanDerWaalsContact OE2-CG 3.31Å; E517-R522 WeakPolarHBondContact OE2-CG 3.3Å; E517-R522 IonicContact OE2-CZ 3.57Å; E517-R522 IonicContact OE2-NE 3.84Å; E517-R522 PolarHBondContact OE2-NE 3.09Å; E517-R522 IonicContact OE2-NH2 3.82Å; R522-F688 HydrophobicContact CB-CE1 4.05Å; R522-F688 HydrophobicContact CB-CZ 3.61Å; R522-I689 PolarHBondContact N-O 3.16Å; R522-E690 VanDerWaalsContact CD-OE1 3.32Å; R522-E690 WeakPolarHBondContact CD-OE1 3.48Å; R522-E690 IonicContact NH1-OE1 3.59Å; R522-E690 PolarHBondContact NH1-OE1 3.06Å; R522-E690 CarbonylContact O-C 3.58Å; R522-E690 WeakPolarHBondContact O-CA 3.33Å; R522-G691 PolarHBondContact O-N 3.44Å; R522-Y906 PolarHBondContact NH1-OH 2.82Å; R522-R1002 PolarHBondContact NH2-O 2.7Å
523	I	97.1	Very high	91.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.1	-176.7	-52.4	-63.6	0	0	0	110.5	L515 I516 F540 I693 H706	L515-I523 PolarHBondContact N-O 2.83Å; I516-I523 HydrophobicContact CB-CB 4.06Å; I516-I523 HydrophobicContact CB-CG1 4.11Å; I516-I523 HydrophobicContact CD1-CG1 4.31Å; I516-I523 HydrophobicContact CG1-CB 4.48Å; I516-I523 PolarHBondContact N-O 3.12Å; I516-I523 PolarHBondContact O-N 2.96Å; I523-F540 HydrophobicContact CD1-CD1 4.45Å; I523-F540 HydrophobicContact CD1-CE1 4.14Å; I523-I693 HydrophobicContact CG2-CD1 4.13Å; I523-I693 HydrophobicContact CG2-CG1 4.45Å; I523-H706 HydrophobicContact CD1-CB 4.16Å; I523-H706 HydrophobicContact CG1-CB 3.97Å
524	W	96.7	Very high	91.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	144.6	173.6	-61.4	90.7	0	0	0	110.7	P512 E513 L514 G691 F692 I693 I901 Y906 F908 F992 L1001	P512-W524 HydrophobicContact CB-CE3 4.29Å; E513-W524 CarbonylContact O-C 3.6Å; E513-W524 WeakPolarHBondContact O-CA 3.16Å; L514-W524 HydrophobicContact CB-CE3 4.18Å; L514-W524 HydrophobicContact CB-CH2 4.29Å; L514-W524 HydrophobicContact CB-CZ3 3.97Å; L514-W524 HydrophobicContact CD1-CD2 4.32Å; L514-W524 HydrophobicContact CD1-CZ2 4.25Å; W524-G691 PolarHBondContact N-O 3.26Å; W524-F692 HydrophobicContact CB-CB 4.39Å; W524-F692 HydrophobicContact CB-CD2 3.68Å; W524-F692 HydrophobicContact CB-CE2 4.48Å; W524-F692 HydrophobicContact CB-CG 4.43Å; W524-F692 WeakPolarHBondContact O-CA 3.43Å; W524-I693 PolarHBondContact O-N 2.94Å; W524-I901 HydrophobicContact CB-CD1 3.79Å; W524-I901 HydrophobicContact CD2-CD1 4.21Å; W524-I901 HydrophobicContact CD2-CG1 4.26Å; W524-I901 HydrophobicContact CG-CD1 3.68Å; W524-I901 HydrophobicContact CG-CG1 4.13Å; W524-I901 HydrophobicContact CG-CG2 4.47Å; W524-Y906 AromaticContact CE2-CE1 3.96Å; W524-Y906 AromaticContact CH2-CD1 3.79Å; W524-Y906 HydrophobicContact CH2-CD1 3.79Å; W524-Y906 AromaticContact CH2-CE1 3.98Å; W524-Y906 HydrophobicContact CH2-CE1 3.98Å; W524-Y906 HydrophobicContact CH2-CG 4.46Å; W524-Y906 AromaticContact CZ2-CD1 3.6Å; W524-Y906 HydrophobicContact CZ2-CD1 3.6Å; W524-Y906 AromaticContact CZ2-CE1 3.3Å; W524-Y906 HydrophobicContact CZ2-CE1 3.3Å; W524-F908 HydrophobicContact CE3-CE2 4.45Å; W524-F908 HydrophobicContact CE3-CZ 4.15Å; W524-F908 HydrophobicContact CH2-CZ 4.5Å; W524-F908 AromaticContact CZ3-CE2 3.99Å; W524-F908 HydrophobicContact CZ3-CE2 3.99Å; W524-F908 HydrophobicContact CZ3-CZ 4.02Å; W524-F992 HydrophobicContact CH2-CB 4.25Å; W524-F992 HydrophobicContact CH2-CD1 4.13Å; W524-F992 AromaticContact CH2-CD2 3.67Å; W524-F992 HydrophobicContact CH2-CD2 3.67Å; W524-F992 HydrophobicContact CH2-CE1 4.4Å; W524-F992 AromaticContact CH2-CE2 3.98Å; W524-F992 HydrophobicContact CH2-CE2 3.98Å; W524-F992 AromaticContact CH2-CG 3.75Å; W524-F992 HydrophobicContact CH2-CG 3.75Å; W524-F992 HydrophobicContact CH2-CZ 4.33Å; W524-F992 AromaticContact CZ3-CD1 3.82Å; W524-F992 HydrophobicContact CZ3-CD1 3.82Å; W524-F992 HydrophobicContact CZ3-CD2 4.19Å; W524-F992 AromaticContact CZ3-CE1 3.96Å; W524-F992 HydrophobicContact CZ3-CE1 3.96Å; W524-F992 HydrophobicContact CZ3-CE2 4.33Å; W524-F992 AromaticContact CZ3-CG 3.93Å; W524-F992 HydrophobicContact CZ3-CG 3.93Å; W524-F992 HydrophobicContact CZ3-CZ 4.21Å; W524-L1001 HydrophobicContact CZ2-CD1 4.21Å
525	Y	95.6	Very high	91.4	Very high	12 Å²	12	26.5 Å²	26.5	5%	0.047	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.9	178.6	171.2	-105.8	0	0	0	111.9	P512 E513 L515 Q527 I693 I697 E699 A702	P512-Y525 WeakPolarHBondContact CA-O 3.26Å; E513-Y525 PolarHBondContact N-O 3.07Å; E513-Y525 PolarHBondContact O-N 2.88Å; L515-Y525 HydrophobicContact CD1-CD1 4.23Å; L515-Y525 HydrophobicContact CD1-CD2 4.34Å; L515-Y525 HydrophobicContact CD1-CG 3.73Å; L515-Y525 HydrophobicContact CD2-CD1 4.26Å; L515-Y525 HydrophobicContact CD2-CG 4.48Å; L515-Y525 VanDerWaalsContact CG-CB 3.43Å; L515-Y525 HydrophobicContact CG-CD1 4.49Å; L515-Y525 HydrophobicContact CG-CG 4.22Å; Y525-Q527 HydrophobicContact CE1-CB 4.37Å; Y525-I693 CarbonylContact C-O 3.52Å; Y525-I693 VanDerWaalsContact CA-O 3.29Å; Y525-I693 WeakPolarHBondContact CA-O 3.35Å; Y525-I693 HydrophobicContact CD2-CB 4.36Å; Y525-I693 HydrophobicContact CD2-CG2 4.22Å; Y525-I697 PolarHBondContact OH-O 3.44Å; Y525-E699 HydrophobicContact CE1-CB 4.19Å; Y525-E699 PolarHBondContact OH-N 3.11Å; Y525-A702 HydrophobicContact CD2-CB 3.63Å; Y525-A702 HydrophobicContact CE2-CB 4.05Å; Y525-A702 HydrophobicContact CG-CB 4.38Å
526	F	93.5	Very high	91.5	Very high	20 Å²	20	26.5 Å²	26.5	9%	0.088	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	116.9	172.5	-168.3	-129.9	0	0	0	110.7	A509 P512 F692 I693 Y694 G695 L897	A509-F526 WeakPolarHBondContact O-CE2 3.47Å; P512-F526 HydrophobicContact CB-CB 4.29Å; P512-F526 HydrophobicContact CG-CB 4.28Å; P512-F526 HydrophobicContact CG-CG 4.38Å; F526-F692 HydrophobicContact CB-CE2 4.01Å; F526-F692 HydrophobicContact CB-CZ 4.33Å; F526-I693 PolarHBondContact N-O 2.9Å; F526-Y694 HydrophobicContact CB-CD2 4.05Å; F526-Y694 AromaticContact CD1-CD2 3.56Å; F526-Y694 HydrophobicContact CD1-CD2 3.56Å; F526-Y694 AromaticContact CD1-CE2 3.65Å; F526-Y694 HydrophobicContact CD1-CE2 3.65Å; F526-Y694 HydrophobicContact CE1-CD2 4.46Å; F526-Y694 HydrophobicContact CE1-CE2 4.11Å; F526-Y694 HydrophobicContact CG-CD2 4.21Å; F526-Y694 WeakPolarHBondContact O-CA 2.98Å; F526-Y694 VanDerWaalsContact O-CD2 3.23Å; F526-Y694 WeakPolarHBondContact O-CD2 3.28Å; F526-G695 PolarHBondContact O-N 3.19Å; F526-L897 HydrophobicContact CD1-CD1 3.66Å; F526-L897 HydrophobicContact CE1-CD1 4.06Å
527	Q	91.6	Very high	91.6	Very high	17 Å²	17	26.3 Å²	26.3	8%	0.079	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.3	175.2	-166.6	176.9	7.2	0	0	110	Y525	Y525-Q527 HydrophobicContact CE1-CB 4.37Å
528	D	89.4	Confident	91.8	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.064	13%	0.126	C	C	.	.			trans	-69.2	134.8	171.6	179	49.7	0	0	0	111.1	E530 F531 N532 Y694 G695 M890	D528-E530 PolarHBondContact OD1-N 2.88Å; D528-E530 VanDerWaalsContact OD1-N 3.15Å; D528-F531 WeakPolarHBondContact OD1-CD2 3.46Å; D528-F531 PolarHBondContact OD1-N 3.34Å; D528-F531 PolarHBondContact OD2-N 3.05Å; D528-N532 PolarHBondContact OD2-N 3.44Å; D528-Y694 HydrophobicContact CB-CE2 3.89Å; D528-Y694 PolarHBondContact OD1-OH 3.12Å; D528-Y694 VanDerWaalsContact OD1-OH 3.06Å; D528-G695 PolarHBondContact N-O 2.94Å; D528-G695 VanDerWaalsContact N-O 3.09Å; D528-M890 HydrophobicContact CB-CE 3.79Å
529	R	81.7	Confident	92	Very high	83 Å²	83	25.2 Å²	25.2	31%	0.313	12%	0.119	S	C	.	.			trans	-133.5	-8	177.8	-59.4	178.6	-177.7	-177	0.4	112.2	T507	T507-R529 PolarHBondContact O-NH1 2.83Å
530	E	82.1	Confident	92.4	Very high	89 Å²	89	20.7 Å²	20.7	42%	0.416	10%	0.095	S	C	.	.	S	Bend	trans	-97.2	-47.4	-170.5	-176.6	173.6	-173.5	0	0	110.3	D528	D528-E530 PolarHBondContact OD1-N 2.88Å; D528-E530 VanDerWaalsContact OD1-N 3.15Å
531	F	83.9	Confident	92.5	Very high	44 Å²	44	20.7 Å²	20.7	19%	0.193	10%	0.095	C	C	.	.	S	Bend	trans	-95.3	-27.7	-172.7	-54.4	-75.3	0	0	0	113.2	D528 L533 Y694 P887 G889 M890 R893	D528-F531 WeakPolarHBondContact OD1-CD2 3.46Å; D528-F531 PolarHBondContact OD1-N 3.34Å; D528-F531 PolarHBondContact OD2-N 3.05Å; F531-L533 VanDerWaalsContact C-N 3.27Å; F531-L533 HydrophobicContact CB-CD1 4.24Å; F531-L533 HydrophobicContact CB-CG 4.17Å; F531-L533 PolarHBondContact O-N 3.26Å; F531-Y694 WeakPolarHBondContact CD2-OH 3.21Å; F531-P887 WeakPolarHBondContact CE1-O 3.45Å; F531-P887 HydrophobicContact CZ-CB 4.24Å; F531-P887 WeakPolarHBondContact CZ-O 3.45Å; F531-G889 VanDerWaalsContact CE1-CA 3.46Å; F531-G889 VanDerWaalsContact CZ-C 3.49Å; F531-M890 HydrophobicContact CB-CG 3.72Å; F531-M890 HydrophobicContact CB-SD 4.41Å; F531-M890 HydrophobicContact CD2-CB 4.27Å; F531-M890 HydrophobicContact CD2-CG 3.46Å; F531-M890 VanDerWaalsContact CD2-CG 3.46Å; F531-M890 HydrophobicContact CE2-CG 4.33Å; F531-M890 HydrophobicContact CG-CG 3.73Å; F531-R893 HydrophobicContact CE2-CB 4.02Å; F531-R893 HydrophobicContact CE2-CG 4.47Å
532	N	83.7	Confident	92.6	Very high	90 Å²	90	20.7 Å²	20.7	48%	0.481	10%	0.095	S	C	.	.			trans	54.3	43	177.7	-63.9	-59.8	0	0	0	112.6	L500 D528	L500-N532 HydrophobicContact CD1-CB 3.94Å; L500-N532 WeakPolarHBondContact CD1-O 3.17Å; L500-N532 WeakPolarHBondContact CD2-O 3.34Å; D528-N532 PolarHBondContact OD2-N 3.44Å
533	L	88.1	Confident	92.6	Very high	18 Å²	18	20.6 Å²	20.6	9%	0.094	10%	0.095	C	C	.	.			trans	-102.5	149.2	177.6	-62.3	174.8	0	0	0	110.7	D389 F531 K535 N696 M890	D389-L533 WeakPolarHBondContact OD1-CD1 3.26Å; F531-L533 VanDerWaalsContact C-N 3.27Å; F531-L533 HydrophobicContact CB-CD1 4.24Å; F531-L533 HydrophobicContact CB-CG 4.17Å; F531-L533 PolarHBondContact O-N 3.26Å; L533-K535 HydrophobicContact CB-CD 4.45Å; L533-K535 HydrophobicContact CB-CG 4.33Å; L533-K535 HydrophobicContact CD1-CD 4.4Å; L533-K535 PolarHBondContact O-N 3.32Å; L533-N696 WeakPolarHBondContact O-CB 3.49Å; L533-M890 HydrophobicContact CB-SD 3.77Å; L533-M890 HydrophobicContact CD1-CG 4.43Å; L533-M890 HydrophobicContact CD1-SD 4.15Å; L533-M890 HydrophobicContact CG-SD 4.41Å
534	P	92.4	Very high	92.5	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.026	10%	0.096	C	C	.	.	S	Bend	trans	-77.6	47	178.8	35.2	-38.6	0	0	0	111.9	F387 F498 L500 Y598 S599	F387-P534 HydrophobicContact CD1-CG 4.08Å; F387-P534 HydrophobicContact CE1-CG 3.92Å; F387-P534 HydrophobicContact CG-CG 4.47Å; F387-P534 HydrophobicContact CZ-CG 4.18Å; F498-P534 HydrophobicContact CB-CB 4.06Å; F498-P534 HydrophobicContact CB-CG 4.01Å; F498-P534 HydrophobicContact CD1-CB 4.21Å; F498-P534 HydrophobicContact CD1-CG 3.79Å; F498-P534 HydrophobicContact CG-CG 4.36Å; L500-P534 HydrophobicContact CD2-CB 4.5Å; P534-Y598 HydrophobicContact CG-CD1 4.34Å; P534-Y598 CarbonylContact O-C 3.57Å; P534-Y598 VanDerWaalsContact O-CA 3.3Å; P534-Y598 WeakPolarHBondContact O-CA 3.34Å; P534-S599 PolarHBondContact O-N 3.38Å; P534-S599 PolarHBondContact O-OG 3.27Å
535	K	93.6	Very high	92.3	Very high	24 Å²	24	22.7 Å²	22.7	10%	0.104	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.5	-175	-62.8	178.6	-175	170.2	0	111.4	F387 D389 L533 F537 G597 Y598 N696 M890	F387-K535 WeakPolarHBondContact O-CE 3.4Å; F387-K535 PolarHBondContact O-NZ 2.85Å; D389-K535 VanDerWaalsContact CG-NZ 3.28Å; D389-K535 IonicContact OD1-NZ 2.69Å; D389-K535 PolarHBondContact OD1-NZ 3.07Å; D389-K535 IonicContact OD2-NZ 2.82Å; D389-K535 PolarHBondContact OD2-NZ 3.44Å; D389-K535 VanDerWaalsContact OD2-NZ 3.15Å; L533-K535 HydrophobicContact CB-CD 4.45Å; L533-K535 HydrophobicContact CB-CG 4.33Å; L533-K535 HydrophobicContact CD1-CD 4.4Å; L533-K535 PolarHBondContact O-N 3.32Å; K535-F537 HydrophobicContact CB-CE2 4.14Å; K535-G597 CarbonylContact C-O 3.59Å; K535-G597 WeakPolarHBondContact CA-O 3.21Å; K535-Y598 HydrophobicContact CG-CD1 4.28Å; K535-Y598 HydrophobicContact CG-CE1 4.44Å; K535-N696 WeakPolarHBondContact O-CB 3.43Å; K535-N696 PolarHBondContact O-N 3.37Å; K535-M890 HydrophobicContact CB-CE 4.39Å; K535-M890 HydrophobicContact CB-SD 3.88Å; K535-M890 WeakPolarHBondContact O-CE 3.45Å
536	G	95.5	Very high	92.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148	175.7	0	0	0	0	0	111.8	L596 G597	G536-L596 WeakPolarHBondContact O-CA 3.39Å; G536-G597 PolarHBondContact N-O 3.05Å; G536-G597 PolarHBondContact O-N 2.83Å; G536-G597 VanDerWaalsContact O-N 3.09Å
537	F	96.9	Very high	92.2	Very high	6 Å²	6	23 Å²	23	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.1	-177.3	-67	-113.3	0	0	0	107.6	K535 F595 L596 Y694 M890 Q891 F894	K535-F537 HydrophobicContact CB-CE2 4.14Å; F537-F595 CarbonylContact C-O 3.54Å; F537-F595 WeakPolarHBondContact CA-O 3.42Å; F537-L596 HydrophobicContact CB-CD2 4.08Å; F537-L596 HydrophobicContact CD1-CB 4.49Å; F537-L596 HydrophobicContact CD1-CD1 4.39Å; F537-L596 HydrophobicContact CD1-CD2 3.19Å; F537-L596 HydrophobicContact CD1-CG 4.2Å; F537-L596 HydrophobicContact CE1-CB 4.39Å; F537-L596 HydrophobicContact CE1-CD1 4.12Å; F537-L596 HydrophobicContact CE1-CD2 3.74Å; F537-L596 HydrophobicContact CE1-CG 4.3Å; F537-L596 HydrophobicContact CG-CD2 3.87Å; F537-Y694 HydrophobicContact CB-CD1 4.08Å; F537-Y694 HydrophobicContact CD2-CD1 4.14Å; F537-Y694 HydrophobicContact CD2-CE1 4.47Å; F537-Y694 HydrophobicContact CG-CD1 4.16Å; F537-Y694 PolarHBondContact N-O 3.29Å; F537-Y694 PolarHBondContact O-N 3.42Å; F537-M890 HydrophobicContact CD2-CB 4.22Å; F537-M890 HydrophobicContact CD2-CE 4.04Å; F537-M890 HydrophobicContact CE2-CB 3.44Å; F537-M890 VanDerWaalsContact CE2-CB 3.44Å; F537-M890 HydrophobicContact CE2-CE 3.93Å; F537-M890 HydrophobicContact CE2-CG 4.34Å; F537-M890 HydrophobicContact CE2-SD 4.04Å; F537-M890 HydrophobicContact CZ-CB 3.69Å; F537-Q891 HydrophobicContact CE1-CB 3.69Å; F537-Q891 HydrophobicContact CE1-CG 4.07Å; F537-Q891 HydrophobicContact CZ-CB 4.16Å; F537-F894 HydrophobicContact CB-CB 4.43Å; F537-F894 HydrophobicContact CB-CD1 4.45Å; F537-F894 HydrophobicContact CB-CD2 3.46Å; F537-F894 VanDerWaalsContact CB-CD2 3.46Å; F537-F894 HydrophobicContact CB-CE2 3.7Å; F537-F894 HydrophobicContact CB-CG 3.86Å; F537-F894 HydrophobicContact CB-CZ 4.32Å; F537-F894 HydrophobicContact CD1-CB 3.9Å; F537-F894 HydrophobicContact CD1-CD1 4.1Å; F537-F894 HydrophobicContact CD1-CD2 4.35Å; F537-F894 AromaticContact CD1-CG 3.85Å; F537-F894 HydrophobicContact CD1-CG 3.85Å; F537-F894 HydrophobicContact CG-CB 4.3Å; F537-F894 HydrophobicContact CG-CD2 4.23Å; F537-F894 HydrophobicContact CG-CG 4.17Å
538	I	97.9	Very high	92.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.8	-173.2	-58.1	172.6	0	0	0	107.9	F540 T594 F595 L602 V606 F692 I693 I697 Y705	I538-F540 HydrophobicContact CG2-CD2 3.98Å; I538-F540 HydrophobicContact CG2-CE2 3.45Å; I538-F540 VanDerWaalsContact CG2-CE2 3.45Å; I538-F540 HydrophobicContact CG2-CZ 3.89Å; I538-T594 CarbonylContact O-C 3.46Å; I538-T594 WeakPolarHBondContact O-CA 3.41Å; I538-F595 HydrophobicContact CB-CB 4.25Å; I538-F595 HydrophobicContact CB-CD2 4.36Å; I538-F595 HydrophobicContact CG2-CD2 4.31Å; I538-F595 PolarHBondContact N-O 2.96Å; I538-F595 PolarHBondContact O-N 3.06Å; I538-L602 HydrophobicContact CD1-CD2 3.63Å; I538-L602 HydrophobicContact CD1-CG 3.88Å; I538-L602 HydrophobicContact CG1-CD2 4.16Å; I538-V606 HydrophobicContact CD1-CG2 3.98Å; I538-F692 CarbonylContact C-O 3.38Å; I538-F692 WeakPolarHBondContact CA-O 3.38Å; I538-I693 HydrophobicContact CG1-CG2 4.3Å; I538-I693 HydrophobicContact CG2-CG1 4.27Å; I538-I697 HydrophobicContact CD1-CD1 3.88Å; I538-I697 HydrophobicContact CG1-CD1 3.79Å; I538-Y705 HydrophobicContact CD1-CD1 3.94Å; I538-Y705 HydrophobicContact CD1-CD2 3.92Å; I538-Y705 HydrophobicContact CD1-CE1 3.6Å; I538-Y705 HydrophobicContact CD1-CE2 3.68Å; I538-Y705 HydrophobicContact CD1-CG 4.1Å
539	T	97.8	Very high	92.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.4	170.4	-74.3	0	0	0	0	110.6	K592 L593 T594 G691 F692 F894 W898	T539-K592 HydrophobicContact CG2-CD 3.73Å; T539-K592 HydrophobicContact CG2-CG 3.62Å; T539-L593 CarbonylContact C-O 3.54Å; T539-L593 VanDerWaalsContact CA-O 3.3Å; T539-L593 WeakPolarHBondContact CA-O 3.21Å; T539-T594 WeakPolarHBondContact OG1-CB 3.18Å; T539-T594 VanDerWaalsContact OG1-CG2 3.31Å; T539-T594 WeakPolarHBondContact OG1-CG2 3.45Å; T539-T594 PolarHBondContact OG1-OG1 2.82Å; T539-G691 CarbonylContact O-C 3.57Å; T539-G691 WeakPolarHBondContact O-CA 3.44Å; T539-F692 PolarHBondContact N-O 2.8Å; T539-F692 PolarHBondContact O-N 2.82Å; T539-F894 WeakPolarHBondContact OG1-CZ 3.33Å; T539-W898 HydrophobicContact CG2-CD2 4.34Å; T539-W898 HydrophobicContact CG2-CE3 4.29Å; T539-W898 HydrophobicContact CG2-CH2 3.59Å; T539-W898 HydrophobicContact CG2-CZ2 3.67Å; T539-W898 HydrophobicContact CG2-CZ3 3.93Å
540	F	97.8	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.9	167.9	-65.9	-64.8	0	0	0	109.3	I523 I538 K592 L593 F595 V606 I689 I693 I709	I523-F540 HydrophobicContact CD1-CD1 4.45Å; I523-F540 HydrophobicContact CD1-CE1 4.14Å; I538-F540 HydrophobicContact CG2-CD2 3.98Å; I538-F540 HydrophobicContact CG2-CE2 3.45Å; I538-F540 VanDerWaalsContact CG2-CE2 3.45Å; I538-F540 HydrophobicContact CG2-CZ 3.89Å; F540-K592 WeakPolarHBondContact O-CA 3.44Å; F540-L593 PolarHBondContact N-O 3.04Å; F540-L593 PolarHBondContact O-N 2.83Å; F540-F595 HydrophobicContact CD2-CE2 4.26Å; F540-V606 HydrophobicContact CE2-CG1 4.23Å; F540-I689 HydrophobicContact CD1-CG2 4.02Å; F540-I693 HydrophobicContact CZ-CD1 4.44Å; F540-I709 HydrophobicContact CB-CD1 3.71Å; F540-I709 HydrophobicContact CD1-CD1 4.39Å; F540-I709 HydrophobicContact CD1-CG2 4Å; F540-I709 HydrophobicContact CD2-CD1 3.66Å; F540-I709 HydrophobicContact CD2-CG2 4.36Å; F540-I709 HydrophobicContact CE1-CG2 3.87Å; F540-I709 HydrophobicContact CE2-CD1 4.37Å; F540-I709 HydrophobicContact CE2-CG2 4.23Å; F540-I709 HydrophobicContact CG-CD1 3.66Å; F540-I709 HydrophobicContact CG-CG2 4.25Å; F540-I709 HydrophobicContact CZ-CG2 3.99Å
541	H	96.6	Very high	93.5	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.051	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.8	175.6	-168.4	-164.6	0	0	0	109.3	V543 T587 E589 K592 I689 E690 W898	H541-V543 PolarHBondContact O-N 2.77Å; H541-T587 PolarHBondContact CE1-OG1 3.35Å; H541-T587 PolarHBondContact NE2-OG1 3.5Å; H541-E589 IonicContact CE1-OE2 3.12Å; H541-E589 PolarHBondContact CE1-OE2 2.77Å; H541-E589 IonicContact ND1-OE2 3.45Å; H541-K592 HydrophobicContact CB-CG 4.32Å; H541-I689 WeakPolarHBondContact O-CA 3.16Å; H541-E690 HydrophobicContact CB-CB 4.4Å; H541-E690 VanDerWaalsContact CB-O 3.26Å; H541-E690 WeakPolarHBondContact CB-O 3.15Å; H541-E690 PolarHBondContact N-O 2.88Å; H541-E690 PolarHBondContact O-N 2.7Å; H541-W898 HydrophobicContact CB-CH2 4.21Å; H541-W898 HydrophobicContact CB-CZ2 4.39Å
542	I	96.8	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	97.7	179.3	-55.2	173.9	0	0	0	107.4	G590 I591 F613 F683 I687 L713	I542-G590 WeakPolarHBondContact O-CA 3.39Å; I542-I591 PolarHBondContact N-O 3.38Å; I542-I591 PolarHBondContact O-N 2.86Å; I542-F613 HydrophobicContact CD1-CD1 4.12Å; I542-F613 HydrophobicContact CD1-CE1 3.38Å; I542-F613 HydrophobicContact CD1-CZ 3.94Å; I542-F683 HydrophobicContact CG2-CE1 4.07Å; I542-F683 HydrophobicContact CG2-CZ 4.48Å; I542-I687 HydrophobicContact CG2-CB 4.21Å; I542-I687 HydrophobicContact CG2-CD1 4.14Å; I542-I687 HydrophobicContact CG2-CG2 4.1Å; I542-L713 HydrophobicContact CD1-CD1 4.26Å
543	V	95.7	Very high	94.7	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.5	-173.8	174.8	0	0	0	0	110.5	H541 E589 I687 F688 L722 I727	H541-V543 PolarHBondContact O-N 2.77Å; V543-E589 CarbonylContact C-O 3.59Å; V543-E589 VanDerWaalsContact CA-O 3.24Å; V543-E589 WeakPolarHBondContact CA-O 3.43Å; V543-E589 HydrophobicContact CG1-CB 4.18Å; V543-E589 WeakPolarHBondContact CG1-O 3.37Å; V543-E589 HydrophobicContact CG2-CB 4.24Å; V543-I687 VanDerWaalsContact O-CA 3.27Å; V543-I687 WeakPolarHBondContact O-CA 3.19Å; V543-F688 HydrophobicContact CB-CB 4.17Å; V543-F688 WeakPolarHBondContact CB-O 3.41Å; V543-F688 PolarHBondContact N-O 3.26Å; V543-F688 PolarHBondContact O-N 2.98Å; V543-L722 HydrophobicContact CG1-CD2 4.12Å; V543-I727 HydrophobicContact CG1-CG1 4.25Å; V543-I727 HydrophobicContact CG1-CG2 4.4Å
544	S	94.9	Very high	95	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.021	11%	0.105	C	C	.	.			trans	-145.9	131.7	174.4	-178.3	0	0	0	0	109.8	L546 A547 E589 F683	S544-L546 PolarHBondContact O-N 2.83Å; S544-L546 VanDerWaalsContact O-N 3.07Å; S544-A547 VanDerWaalsContact O-CB 3.26Å; S544-A547 WeakPolarHBondContact O-CB 3.44Å; S544-A547 PolarHBondContact O-N 3.27Å; S544-E589 PolarHBondContact N-O 3.16Å; S544-F683 PolarHBondContact OG-O 3.27Å
545	P	92	Very high	95.2	Very high	40 Å²	40	21.1 Å²	21.1	26%	0.26	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-62.3	-20.5	-179.4	26.9	-35.4	0	0	0	112.9	A547 F549 L722	P545-A547 PolarHBondContact O-N 3.37Å; P545-F549 PolarHBondContact O-N 3.27Å; P545-L722 HydrophobicContact CG-CD1 4.04Å
546	L	93.6	Very high	95.4	Very high	38 Å²	38	20.1 Å²	20.1	20%	0.199	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-69.2	-18	176.7	-62.9	180	0	0	0	113	S544 F548 H553 F679 Q682	S544-L546 PolarHBondContact O-N 2.83Å; S544-L546 VanDerWaalsContact O-N 3.07Å; L546-F548 PolarHBondContact O-N 2.99Å; L546-F548 VanDerWaalsContact O-N 3.14Å; L546-H553 VanDerWaalsContact O-CB 3.3Å; L546-H553 WeakPolarHBondContact O-CB 3.39Å; L546-F679 HydrophobicContact CB-CE2 4.03Å; L546-Q682 HydrophobicContact CD1-CB 3.71Å
547	A	93.7	Very high	95.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-62.5	-23.5	-176.9	0	0	0	0	0	114	S544 P545 H586 G590 F683	S544-A547 VanDerWaalsContact O-CB 3.26Å; S544-A547 WeakPolarHBondContact O-CB 3.44Å; S544-A547 PolarHBondContact O-N 3.27Å; P545-A547 PolarHBondContact O-N 3.37Å; A547-H586 PolarHBondContact O-NE2 2.8Å; A547-G590 VanDerWaalsContact CB-N 3.31Å; A547-F683 HydrophobicContact CB-CE2 4.31Å
548	F	92	Very high	95.4	Very high	43 Å²	43	21.1 Å²	21.1	19%	0.189	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-145	22.1	-177.1	-149.9	-108.1	0	0	0	113.8	L546 T554 A588 H657 W659	L546-F548 PolarHBondContact O-N 2.99Å; L546-F548 VanDerWaalsContact O-N 3.14Å; F548-T554 WeakPolarHBondContact CA-OG1 3.18Å; F548-T554 HydrophobicContact CD2-CG2 3.6Å; F548-T554 HydrophobicContact CE2-CG2 3.88Å; F548-A588 HydrophobicContact CB-CB 4.32Å; F548-A588 WeakPolarHBondContact CB-O 3.14Å; F548-A588 HydrophobicContact CD1-CB 4.24Å; F548-A588 HydrophobicContact CD2-CB 4.14Å; F548-A588 HydrophobicContact CG-CB 3.99Å; F548-H657 HydrophobicContact CE1-CB 4.5Å; F548-W659 AromaticContact CD1-NE1 3.71Å; F548-W659 AromaticContact CD2-NE1 3.81Å; F548-W659 AromaticContact CE1-CD1 3.96Å; F548-W659 AromaticContact CE1-NE1 3.57Å; F548-W659 AromaticContact CE2-CD1 3.51Å; F548-W659 AromaticContact CE2-NE1 3.66Å; F548-W659 AromaticContact CG-NE1 3.83Å; F548-W659 AromaticContact CZ-CD1 3.45Å; F548-W659 VanDerWaalsContact CZ-CD1 3.45Å; F548-W659 HydrophobicContact CZ-CG 4.33Å; F548-W659 AromaticContact CZ-NE1 3.54Å
549	F	91.8	Very high	95.4	Very high	132 Å²	132	21.1 Å²	21.1	58%	0.579	11%	0.105	S	C	*	.	S	Bend	trans	-62.9	-49.4	-173.7	-179	-105.5	0	0	0	113.4	P545 H553	P545-F549 PolarHBondContact O-N 3.27Å; F549-H553 HydrophobicContact CB-CB 4.4Å; F549-H553 AromaticContact CD1-ND1 3.94Å
550	D	93.6	Very high	95.3	Very high	45 Å²	45	21.2 Å²	21.2	24%	0.241	11%	0.106	C	C	.	.	S	Bend	trans	-146.1	172	173.6	66.4	24.8	0	0	0	109.3	F552 H553 T554 W659	D550-F552 PolarHBondContact O-N 2.92Å; D550-F552 WeakPolarHBondContact OD1-CA 3.2Å; D550-F552 WeakPolarHBondContact OD1-CB 3.38Å; D550-F552 PolarHBondContact OD1-N 3.08Å; D550-H553 PolarHBondContact O-N 3.03Å; D550-H553 IonicContact OD1-CE1 3.89Å; D550-H553 IonicContact OD1-CG 2.86Å; D550-H553 PolarHBondContact OD1-N 2.86Å; D550-H553 IonicContact OD1-ND1 3.51Å; D550-H553 PolarHBondContact OD1-ND1 3Å; D550-H553 IonicContact OD2-CE1 3.7Å; D550-H553 PolarHBondContact OD2-CE1 3.42Å; D550-H553 IonicContact OD2-ND1 3.35Å; D550-H553 PolarHBondContact OD2-ND1 2.92Å; D550-T554 VanDerWaalsContact O-CB 3.3Å; D550-T554 WeakPolarHBondContact O-CB 3.4Å; D550-T554 PolarHBondContact O-N 2.88Å; D550-T554 PolarHBondContact O-OG1 2.8Å; D550-W659 VanDerWaalsContact CA-CZ2 3.49Å
551	P	94.3	Very high	95.3	Very high	27 Å²	27	21.4 Å²	21.4	18%	0.175	11%	0.107	C	C	.	.	H	α-helix	trans	-56.9	-31.3	178.1	-27.2	35.5	0	0	0	113.7	S555 W659 D663 A667	P551-S555 VanDerWaalsContact O-CB 3.31Å; P551-S555 WeakPolarHBondContact O-CB 3.21Å; P551-S555 PolarHBondContact O-N 2.87Å; P551-S555 PolarHBondContact O-OG 3.46Å; P551-W659 HydrophobicContact CG-CB 4.46Å; P551-W659 HydrophobicContact CG-CD2 3.7Å; P551-W659 HydrophobicContact CG-CE3 3.53Å; P551-W659 HydrophobicContact CG-CG 4.1Å; P551-W659 HydrophobicContact CG-CZ3 4.04Å; P551-D663 HydrophobicContact CB-CB 3.95Å; P551-D663 HydrophobicContact CG-CB 3.79Å; P551-A667 HydrophobicContact CB-CB 4.1Å
552	F	96.5	Very high	95.2	Very high	36 Å²	36	23.6 Å²	23.6	16%	0.158	12%	0.119	C	C	.	.	H	α-helix	trans	-70.3	-53.5	-178.2	178.2	-98	0	0	0	111.8	D550 T554 S555 L556 E670 I671 R675	D550-F552 PolarHBondContact O-N 2.92Å; D550-F552 WeakPolarHBondContact OD1-CA 3.2Å; D550-F552 WeakPolarHBondContact OD1-CB 3.38Å; D550-F552 PolarHBondContact OD1-N 3.08Å; F552-T554 VanDerWaalsContact C-N 3.34Å; F552-T554 PolarHBondContact O-N 3.36Å; F552-S555 WeakPolarHBondContact O-CB 3.39Å; F552-S555 PolarHBondContact O-N 3.18Å; F552-L556 HydrophobicContact CD1-CD1 3.87Å; F552-L556 HydrophobicContact CE1-CD1 3.23Å; F552-L556 HydrophobicContact CE1-CG 4.18Å; F552-L556 HydrophobicContact CE2-CD1 4.42Å; F552-L556 HydrophobicContact CZ-CD1 3.5Å; F552-L556 HydrophobicContact CZ-CD2 4.34Å; F552-L556 HydrophobicContact CZ-CG 4.09Å; F552-L556 WeakPolarHBondContact O-CG 3.5Å; F552-L556 PolarHBondContact O-N 3.33Å; F552-E670 HydrophobicContact CD2-CB 4.2Å; F552-E670 HydrophobicContact CE2-CB 4.06Å; F552-I671 HydrophobicContact CD2-CG1 4.22Å; F552-I671 HydrophobicContact CE2-CG1 3.81Å; F552-R675 HydrophobicContact CZ-CB 4.07Å; F552-R675 HydrophobicContact CZ-CG 4.31Å
553	H	96.5	Very high	95.2	Very high	35 Å²	35	23.6 Å²	23.6	16%	0.162	12%	0.119	C	C	.	.	H	α-helix	trans	-66.3	-36.9	176.8	-64.6	83.4	0	0	0	111.8	L546 F549 D550 S555 L556 C557 F679	L546-H553 VanDerWaalsContact O-CB 3.3Å; L546-H553 WeakPolarHBondContact O-CB 3.39Å; F549-H553 HydrophobicContact CB-CB 4.4Å; F549-H553 AromaticContact CD1-ND1 3.94Å; D550-H553 PolarHBondContact O-N 3.03Å; D550-H553 IonicContact OD1-CE1 3.89Å; D550-H553 IonicContact OD1-CG 2.86Å; D550-H553 PolarHBondContact OD1-N 2.86Å; D550-H553 IonicContact OD1-ND1 3.51Å; D550-H553 PolarHBondContact OD1-ND1 3Å; D550-H553 IonicContact OD2-CE1 3.7Å; D550-H553 PolarHBondContact OD2-CE1 3.42Å; D550-H553 IonicContact OD2-ND1 3.35Å; D550-H553 PolarHBondContact OD2-ND1 2.92Å; H553-S555 VanDerWaalsContact C-N 3.3Å; H553-S555 PolarHBondContact O-N 3.23Å; H553-L556 PolarHBondContact O-N 3.4Å; H553-C557 WeakPolarHBondContact O-CB 3.22Å; H553-C557 PolarHBondContact O-N 2.97Å; H553-F679 HydrophobicContact CB-CE2 4.36Å
554	T	95.7	Very high	95.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-45.1	173	-52.5	0	0	0	0	110.7	F548 D550 F552 C557 L558 W659 F664	F548-T554 WeakPolarHBondContact CA-OG1 3.18Å; F548-T554 HydrophobicContact CD2-CG2 3.6Å; F548-T554 HydrophobicContact CE2-CG2 3.88Å; D550-T554 VanDerWaalsContact O-CB 3.3Å; D550-T554 WeakPolarHBondContact O-CB 3.4Å; D550-T554 PolarHBondContact O-N 2.88Å; D550-T554 PolarHBondContact O-OG1 2.8Å; F552-T554 VanDerWaalsContact C-N 3.34Å; F552-T554 PolarHBondContact O-N 3.36Å; T554-C557 PolarHBondContact O-N 3.33Å; T554-L558 HydrophobicContact CG2-CD1 4.09Å; T554-L558 WeakPolarHBondContact O-CB 3.32Å; T554-L558 WeakPolarHBondContact O-CG 3.27Å; T554-L558 PolarHBondContact O-N 3.32Å; T554-W659 PolarHBondContact OG1-NE1 3.19Å; T554-W659 VanDerWaalsContact OG1-NE1 3.13Å; T554-F664 HydrophobicContact CG2-CE1 3.75Å; T554-F664 HydrophobicContact CG2-CZ 4.1Å
555	S	96.3	Very high	95.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-39.9	177.5	-57.7	0	0	0	0	112.4	P551 F552 H553 L558 I559 F664 F668	P551-S555 VanDerWaalsContact O-CB 3.31Å; P551-S555 WeakPolarHBondContact O-CB 3.21Å; P551-S555 PolarHBondContact O-N 2.87Å; P551-S555 PolarHBondContact O-OG 3.46Å; F552-S555 WeakPolarHBondContact O-CB 3.39Å; F552-S555 PolarHBondContact O-N 3.18Å; H553-S555 VanDerWaalsContact C-N 3.3Å; H553-S555 PolarHBondContact O-N 3.23Å; S555-L558 PolarHBondContact O-N 3.11Å; S555-I559 WeakPolarHBondContact O-CB 3.44Å; S555-I559 VanDerWaalsContact O-CG1 3.31Å; S555-I559 WeakPolarHBondContact O-CG1 3.29Å; S555-I559 PolarHBondContact O-N 2.82Å; S555-F664 WeakPolarHBondContact OG-CD1 3.36Å; S555-F668 WeakPolarHBondContact OG-CE2 3.46Å
556	L	97.3	Very high	95.4	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-41.9	174.9	-69.8	170.6	0	0	0	112.1	F552 H553 I559 Y560 I671 L676 F679	F552-L556 HydrophobicContact CD1-CD1 3.87Å; F552-L556 HydrophobicContact CE1-CD1 3.23Å; F552-L556 HydrophobicContact CE1-CG 4.18Å; F552-L556 HydrophobicContact CE2-CD1 4.42Å; F552-L556 HydrophobicContact CZ-CD1 3.5Å; F552-L556 HydrophobicContact CZ-CD2 4.34Å; F552-L556 HydrophobicContact CZ-CG 4.09Å; F552-L556 WeakPolarHBondContact O-CG 3.5Å; F552-L556 PolarHBondContact O-N 3.33Å; H553-L556 PolarHBondContact O-N 3.4Å; L556-I559 PolarHBondContact O-N 2.86Å; L556-Y560 WeakPolarHBondContact O-CB 3.47Å; L556-Y560 PolarHBondContact O-N 2.9Å; L556-I671 HydrophobicContact CD2-CG1 4.16Å; L556-I671 HydrophobicContact CD2-CG2 3.77Å; L556-L676 HydrophobicContact CD2-CB 4.19Å; L556-L676 HydrophobicContact CD2-CD1 4.28Å; L556-F679 HydrophobicContact CB-CB 4.24Å; L556-F679 HydrophobicContact CB-CD1 3.86Å; L556-F679 HydrophobicContact CB-CD2 3.89Å; L556-F679 HydrophobicContact CB-CE1 4.21Å; L556-F679 HydrophobicContact CB-CE2 4.21Å; L556-F679 HydrophobicContact CB-CG 3.7Å; L556-F679 HydrophobicContact CB-CZ 4.38Å; L556-F679 HydrophobicContact CD1-CB 3.86Å; L556-F679 HydrophobicContact CD1-CD2 4.02Å; L556-F679 HydrophobicContact CD1-CG 4.03Å; L556-F679 HydrophobicContact CG-CG 4.47Å
557	C	97.1	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-44	176.1	-160.4	0	0	0	0	111.8	H553 T554 Y560 A561 F679	H553-C557 WeakPolarHBondContact O-CB 3.22Å; H553-C557 PolarHBondContact O-N 2.97Å; T554-C557 PolarHBondContact O-N 3.33Å; C557-Y560 PolarHBondContact O-N 3.24Å; C557-A561 WeakPolarHBondContact O-CB 3.27Å; C557-A561 PolarHBondContact O-N 3.03Å; C557-F679 HydrophobicContact CB-CE1 4.06Å; C557-F679 HydrophobicContact CB-CE2 4.48Å; C557-F679 HydrophobicContact CB-CZ 3.54Å
558	L	95.8	Very high	95.5	Very high	27 Å²	27	29 Å²	29	14%	0.141	14%	0.14	C	C	.	.	H	α-helix	trans	-58	-49.8	174.6	-82.6	166.7	0	0	0	111.7	T554 S555 A561 N562 H586 M630 F634 F664	T554-L558 HydrophobicContact CG2-CD1 4.09Å; T554-L558 WeakPolarHBondContact O-CB 3.32Å; T554-L558 WeakPolarHBondContact O-CG 3.27Å; T554-L558 PolarHBondContact O-N 3.32Å; S555-L558 PolarHBondContact O-N 3.11Å; L558-A561 PolarHBondContact O-N 3.01Å; L558-N562 PolarHBondContact O-N 3.45Å; L558-N562 VanDerWaalsContact O-N 3.1Å; L558-N562 PolarHBondContact O-ND2 2.84Å; L558-H586 HydrophobicContact CD2-CB 3.7Å; L558-H586 WeakPolarHBondContact CD2-ND1 2.84Å; L558-H586 HydrophobicContact CG-CB 4.38Å; L558-M630 HydrophobicContact CB-CE 3.79Å; L558-F634 HydrophobicContact CD1-CZ 4.07Å; L558-F664 HydrophobicContact CD1-CD1 4.47Å; L558-F664 HydrophobicContact CD1-CE1 3.96Å
559	I	96.7	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-44	177.3	-71.9	166.5	0	0	0	110.7	S555 L556 A561 N562 L563 F623 R627 M630 F668 I671 L676	S555-I559 WeakPolarHBondContact O-CB 3.44Å; S555-I559 VanDerWaalsContact O-CG1 3.31Å; S555-I559 WeakPolarHBondContact O-CG1 3.29Å; S555-I559 PolarHBondContact O-N 2.82Å; L556-I559 PolarHBondContact O-N 2.86Å; I559-A561 PolarHBondContact O-N 3.3Å; I559-N562 PolarHBondContact O-N 3.25Å; I559-L563 HydrophobicContact CG2-CD1 3.42Å; I559-L563 VanDerWaalsContact CG2-CD1 3.42Å; I559-L563 HydrophobicContact CG2-CG 4.2Å; I559-L563 VanDerWaalsContact O-CB 3.26Å; I559-L563 WeakPolarHBondContact O-CB 3.39Å; I559-L563 VanDerWaalsContact O-CG 3.32Å; I559-L563 WeakPolarHBondContact O-CG 3.49Å; I559-L563 PolarHBondContact O-N 3.26Å; I559-F623 HydrophobicContact CG2-CD2 4.02Å; I559-F623 HydrophobicContact CG2-CE2 4.21Å; I559-R627 HydrophobicContact CD1-CB 4.46Å; I559-R627 HydrophobicContact CD1-CG 4.26Å; I559-M630 HydrophobicContact CG1-SD 3.79Å; I559-F668 HydrophobicContact CD1-CD1 4.32Å; I559-F668 HydrophobicContact CD1-CE1 3.64Å; I559-F668 HydrophobicContact CD1-CZ 3.94Å; I559-F668 HydrophobicContact CG1-CE1 3.96Å; I559-F668 HydrophobicContact CG1-CZ 4Å; I559-I671 HydrophobicContact CD1-CD1 3.63Å; I559-I671 HydrophobicContact CD1-CG2 3.73Å; I559-L676 HydrophobicContact CG2-CD1 4.19Å; I559-L676 HydrophobicContact CG2-CD2 4.02Å
560	Y	97.3	Very high	95.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-45.3	179.3	178.9	-138.1	0	0	0	112.3	L556 C557 L563 F564 I591 Y616 F679 T680 F683 H684	L556-Y560 WeakPolarHBondContact O-CB 3.47Å; L556-Y560 PolarHBondContact O-N 2.9Å; C557-Y560 PolarHBondContact O-N 3.24Å; Y560-L563 PolarHBondContact O-N 2.97Å; Y560-F564 PolarHBondContact O-N 2.74Å; Y560-I591 HydrophobicContact CD1-CD1 3.55Å; Y560-I591 HydrophobicContact CE1-CD1 3.8Å; Y560-Y616 HydrophobicContact CD2-CE1 4.43Å; Y560-Y616 AromaticContact CE2-CD1 3.85Å; Y560-Y616 HydrophobicContact CE2-CD1 3.85Å; Y560-Y616 HydrophobicContact CE2-CE1 4.19Å; Y560-F679 HydrophobicContact CD1-CE1 4.36Å; Y560-T680 HydrophobicContact CD1-CG2 4.3Å; Y560-T680 HydrophobicContact CD2-CG2 3.55Å; Y560-T680 HydrophobicContact CE1-CG2 4.35Å; Y560-T680 HydrophobicContact CE2-CG2 3.59Å; Y560-T680 HydrophobicContact CG-CG2 3.94Å; Y560-F683 HydrophobicContact CE1-CD1 4.43Å; Y560-H684 AromaticContact CE1-NE2 3.67Å; Y560-H684 AromaticContact CZ-NE2 3.72Å; Y560-H684 PolarHBondContact OH-NE2 2.82Å
561	A	96.9	Very high	95.2	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-45.1	177.6	0	0	0	0	0	112.4	C557 L558 I559 F564 E565 V584 H586 I591	C557-A561 WeakPolarHBondContact O-CB 3.27Å; C557-A561 PolarHBondContact O-N 3.03Å; L558-A561 PolarHBondContact O-N 3.01Å; I559-A561 PolarHBondContact O-N 3.3Å; A561-F564 PolarHBondContact O-N 3.25Å; A561-E565 PolarHBondContact O-N 3.2Å; A561-V584 HydrophobicContact CB-CG1 4.32Å; A561-H586 HydrophobicContact CB-CB 4.39Å; A561-I591 HydrophobicContact CB-CD1 4.37Å; A561-I591 HydrophobicContact CB-CG1 4.42Å
562	N	95.5	Very high	95.2	Very high	58 Å²	58	25.4 Å²	25.4	31%	0.31	13%	0.126	S	C	.	.	H	α-helix	trans	-66.4	-37.6	178.5	-80.9	-97	0	0	0	112.2	L558 I559 E565 D566 I626 M630	L558-N562 PolarHBondContact O-N 3.45Å; L558-N562 VanDerWaalsContact O-N 3.1Å; L558-N562 PolarHBondContact O-ND2 2.84Å; I559-N562 PolarHBondContact O-N 3.25Å; N562-E565 PolarHBondContact O-N 2.84Å; N562-D566 WeakPolarHBondContact O-CB 3.19Å; N562-D566 PolarHBondContact O-N 3.38Å; N562-I626 HydrophobicContact CB-CG2 3.91Å; N562-M630 HydrophobicContact CB-SD 4.22Å
563	L	96.5	Very high	95.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-40.1	175.3	-83.8	167	0	0	0	112.2	I559 Y560 D566 H567 Y616 P618 R622 F623 I626 L676	I559-L563 HydrophobicContact CG2-CD1 3.42Å; I559-L563 VanDerWaalsContact CG2-CD1 3.42Å; I559-L563 HydrophobicContact CG2-CG 4.2Å; I559-L563 VanDerWaalsContact O-CB 3.26Å; I559-L563 WeakPolarHBondContact O-CB 3.39Å; I559-L563 VanDerWaalsContact O-CG 3.32Å; I559-L563 WeakPolarHBondContact O-CG 3.49Å; I559-L563 PolarHBondContact O-N 3.26Å; Y560-L563 PolarHBondContact O-N 2.97Å; L563-D566 PolarHBondContact O-N 3.06Å; L563-H567 WeakPolarHBondContact O-CB 3.49Å; L563-H567 PolarHBondContact O-N 2.84Å; L563-Y616 VanDerWaalsContact C-OH 3.29Å; L563-Y616 HydrophobicContact CB-CE1 4.22Å; L563-Y616 WeakPolarHBondContact CB-OH 3.43Å; L563-Y616 PolarHBondContact O-OH 3.5Å; L563-P618 HydrophobicContact CD1-CB 4.18Å; L563-R622 HydrophobicContact CD2-CB 3.95Å; L563-F623 HydrophobicContact CD1-CB 4.26Å; L563-F623 HydrophobicContact CD1-CD2 4.2Å; L563-I626 HydrophobicContact CB-CD1 4.46Å; L563-I626 HydrophobicContact CD2-CB 4.27Å; L563-I626 HydrophobicContact CD2-CD1 3.55Å; L563-I626 HydrophobicContact CD2-CG1 4.16Å; L563-I626 HydrophobicContact CG-CB 4.46Å; L563-I626 HydrophobicContact CG-CD1 3.91Å; L563-L676 HydrophobicContact CD1-CD2 3.51Å
564	F	97	Very high	94.9	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-67.2	-42.6	175	179.8	-112.5	0	0	0	112.1	Y560 A561 D566 H567 I568 V584 L593 I609 Q612 F613 Y616	Y560-F564 PolarHBondContact O-N 2.74Å; A561-F564 PolarHBondContact O-N 3.25Å; F564-D566 VanDerWaalsContact C-N 3.35Å; F564-D566 PolarHBondContact O-N 3.41Å; F564-H567 WeakPolarHBondContact O-CB 3.46Å; F564-H567 PolarHBondContact O-N 3.22Å; F564-I568 HydrophobicContact CD1-CD1 4.45Å; F564-I568 HydrophobicContact CD2-CG2 4.19Å; F564-I568 HydrophobicContact CE1-CD1 3.95Å; F564-I568 HydrophobicContact CE1-CG2 4.21Å; F564-I568 HydrophobicContact CE2-CG2 3.53Å; F564-I568 HydrophobicContact CZ-CD1 4.28Å; F564-I568 HydrophobicContact CZ-CG2 3.55Å; F564-I568 WeakPolarHBondContact O-CG1 3.34Å; F564-I568 PolarHBondContact O-N 2.83Å; F564-I568 VanDerWaalsContact O-N 3.09Å; F564-V584 HydrophobicContact CD1-CG1 4.13Å; F564-V584 HydrophobicContact CD1-CG2 3.94Å; F564-V584 HydrophobicContact CE1-CG2 4.1Å; F564-L593 HydrophobicContact CE1-CD2 4.31Å; F564-I609 HydrophobicContact CE1-CG2 4.36Å; F564-I609 HydrophobicContact CZ-CG2 4.19Å; F564-Q612 HydrophobicContact CE2-CB 4.11Å; F564-Q612 HydrophobicContact CZ-CB 4.36Å; F564-F613 AromaticContact CD1-CD2 3.62Å; F564-F613 HydrophobicContact CD1-CD2 3.62Å; F564-F613 HydrophobicContact CD1-CE2 4.17Å; F564-F613 HydrophobicContact CD2-CD2 4.03Å; F564-F613 HydrophobicContact CE1-CB 4.1Å; F564-F613 AromaticContact CE1-CD2 3.54Å; F564-F613 HydrophobicContact CE1-CD2 3.54Å; F564-F613 HydrophobicContact CE1-CE2 4.43Å; F564-F613 HydrophobicContact CE1-CG 4.25Å; F564-F613 HydrophobicContact CE2-CB 3.89Å; F564-F613 AromaticContact CE2-CD2 3.97Å; F564-F613 HydrophobicContact CE2-CD2 3.97Å; F564-F613 HydrophobicContact CE2-CG 4.45Å; F564-F613 AromaticContact CG-CD2 3.87Å; F564-F613 HydrophobicContact CG-CD2 3.87Å; F564-F613 HydrophobicContact CG-CE2 4.4Å; F564-F613 HydrophobicContact CZ-CB 3.52Å; F564-F613 AromaticContact CZ-CD2 3.72Å; F564-F613 HydrophobicContact CZ-CD2 3.72Å; F564-F613 HydrophobicContact CZ-CG 4.11Å; F564-Y616 HydrophobicContact CB-CD1 4.02Å; F564-Y616 HydrophobicContact CB-CE1 4.02Å; F564-Y616 AromaticContact CD2-CD1 3.81Å; F564-Y616 HydrophobicContact CD2-CD1 3.81Å; F564-Y616 HydrophobicContact CD2-CD2 4.42Å; F564-Y616 HydrophobicContact CD2-CE1 4.45Å; F564-Y616 AromaticContact CD2-CG 3.81Å; F564-Y616 HydrophobicContact CD2-CG 3.81Å; F564-Y616 HydrophobicContact CG-CD1 4.38Å
565	E	95.4	Very high	94.7	Very high	81 Å²	81	24 Å²	24	38%	0.379	12%	0.122	S	C	.	.	H	α-helix	trans	-58.9	-44.9	174.2	-171.8	173.9	-162.1	0	0	111.6	A561 N562 H567 I568 N569 V584	A561-E565 PolarHBondContact O-N 3.2Å; N562-E565 PolarHBondContact O-N 2.84Å; E565-H567 VanDerWaalsContact C-N 3.33Å; E565-H567 PolarHBondContact O-N 3.2Å; E565-I568 WeakPolarHBondContact O-CG1 3.34Å; E565-I568 PolarHBondContact O-N 2.83Å; E565-N569 PolarHBondContact O-N 3.22Å; E565-V584 HydrophobicContact CB-CB 4.18Å; E565-V584 HydrophobicContact CB-CG2 4.38Å; E565-V584 HydrophobicContact CG-CB 4.49Å
566	D	93.7	Very high	94.6	Very high	28 Å²	28	28.3 Å²	28.3	15%	0.15	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-38.1	176	-177.4	64.5	0	0	0	112.8	K314 N562 L563 F564 N569 R622 I626	K314-D566 WeakPolarHBondContact CE-OD1 3.48Å; K314-D566 IonicContact NZ-OD1 3.31Å; K314-D566 PolarHBondContact NZ-OD1 3.36Å; N562-D566 WeakPolarHBondContact O-CB 3.19Å; N562-D566 PolarHBondContact O-N 3.38Å; L563-D566 PolarHBondContact O-N 3.06Å; F564-D566 VanDerWaalsContact C-N 3.35Å; F564-D566 PolarHBondContact O-N 3.41Å; D566-N569 WeakPolarHBondContact O-CB 3.28Å; D566-R622 IonicContact OD1-CZ 3.58Å; D566-R622 IonicContact OD1-NH2 3.33Å; D566-R622 PolarHBondContact OD1-NH2 2.8Å; D566-R622 IonicContact OD2-CZ 3.63Å; D566-R622 VanDerWaalsContact OD2-CZ 3.22Å; D566-R622 IonicContact OD2-NE 3.48Å; D566-R622 PolarHBondContact OD2-NE 3.43Å; D566-R622 IonicContact OD2-NH2 3.36Å; D566-R622 PolarHBondContact OD2-NH2 2.8Å; D566-I626 HydrophobicContact CB-CD1 3.67Å
567	H	93.8	Very high	94.3	Very high	83 Å²	83	29.8 Å²	29.8	38%	0.384	15%	0.151	S	C	.	.	H	α-helix	trans	-65.5	-44.1	178.1	172.6	79.7	0	0	0	112.8	L563 F564 E565 N569 Q612 Y616	L563-H567 WeakPolarHBondContact O-CB 3.49Å; L563-H567 PolarHBondContact O-N 2.84Å; F564-H567 WeakPolarHBondContact O-CB 3.46Å; F564-H567 PolarHBondContact O-N 3.22Å; E565-H567 VanDerWaalsContact C-N 3.33Å; E565-H567 PolarHBondContact O-N 3.2Å; H567-N569 VanDerWaalsContact C-N 3.3Å; H567-N569 PolarHBondContact O-N 3.04Å; H567-Q612 PolarHBondContact NE2-OE1 2.7Å; H567-Q612 VanDerWaalsContact NE2-OE1 3.07Å; H567-Y616 HydrophobicContact CB-CD2 3.98Å; H567-Y616 HydrophobicContact CB-CE2 3.41Å; H567-Y616 VanDerWaalsContact CB-CE2 3.41Å; H567-Y616 AromaticContact CD2-CD2 3.68Å; H567-Y616 AromaticContact CD2-CE2 4Å; H567-Y616 AromaticContact CG-CD2 3.55Å; H567-Y616 AromaticContact CG-CE2 3.37Å; H567-Y616 AromaticContact ND1-CD2 3.85Å; H567-Y616 AromaticContact ND1-CE2 3.62Å
568	I	95	Very high	94.1	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-79.7	-13.3	-178.2	66	179	0	0	0	113.2	F564 E565 E570 L571 T572 V582 V584 I609 Q612	F564-I568 HydrophobicContact CD1-CD1 4.45Å; F564-I568 HydrophobicContact CD2-CG2 4.19Å; F564-I568 HydrophobicContact CE1-CD1 3.95Å; F564-I568 HydrophobicContact CE1-CG2 4.21Å; F564-I568 HydrophobicContact CE2-CG2 3.53Å; F564-I568 HydrophobicContact CZ-CD1 4.28Å; F564-I568 HydrophobicContact CZ-CG2 3.55Å; F564-I568 WeakPolarHBondContact O-CG1 3.34Å; F564-I568 PolarHBondContact O-N 2.83Å; F564-I568 VanDerWaalsContact O-N 3.09Å; E565-I568 WeakPolarHBondContact O-CG1 3.34Å; E565-I568 PolarHBondContact O-N 2.83Å; I568-E570 VanDerWaalsContact C-N 3.35Å; I568-E570 PolarHBondContact O-N 3.13Å; I568-L571 WeakPolarHBondContact O-CB 3.46Å; I568-L571 PolarHBondContact O-N 3.46Å; I568-T572 HydrophobicContact CB-CG2 4.05Å; I568-T572 HydrophobicContact CD1-CG2 4.04Å; I568-T572 HydrophobicContact CG1-CG2 4Å; I568-T572 PolarHBondContact O-N 3.48Å; I568-T572 PolarHBondContact O-OG1 3.25Å; I568-T572 VanDerWaalsContact O-OG1 3.08Å; I568-V582 HydrophobicContact CD1-CG1 3.89Å; I568-V584 HydrophobicContact CD1-CG2 3.93Å; I568-I609 HydrophobicContact CB-CD1 4.38Å; I568-I609 HydrophobicContact CD1-CD1 4.4Å; I568-I609 HydrophobicContact CD1-CG2 4.36Å; I568-I609 HydrophobicContact CG2-CD1 4.47Å; I568-Q612 HydrophobicContact CG2-CB 4.12Å
569	N	92.8	Very high	93.8	Very high	37 Å²	37	29.7 Å²	29.7	20%	0.198	16%	0.156	C	C	.	.	H	α-helix	trans	-52.3	-45.5	-172.6	-171.5	77.1	0	0	0	114	E304 E565 D566 H567 L571 T572 Y573	E304-N569 PolarHBondContact OE2-ND2 3.43Å; E304-N569 PolarHBondContact OE2-OD1 2.87Å; E565-N569 PolarHBondContact O-N 3.22Å; D566-N569 WeakPolarHBondContact O-CB 3.28Å; H567-N569 VanDerWaalsContact C-N 3.3Å; H567-N569 PolarHBondContact O-N 3.04Å; N569-L571 PolarHBondContact O-N 2.81Å; N569-T572 WeakPolarHBondContact CA-OG1 3.45Å; N569-T572 PolarHBondContact O-N 2.66Å; N569-T572 PolarHBondContact O-OG1 2.95Å; N569-Y573 WeakPolarHBondContact O-CB 3.34Å; N569-Y573 PolarHBondContact O-N 2.98Å
570	E	90.1	Very high	93.6	Very high	57 Å²	57	29.7 Å²	29.7	27%	0.266	16%	0.156	S	C	.	.	H	α-helix	trans	-60.9	-34.2	179.6	-68.6	-163	168.1	0	0	112.5	S311 I568	S311-E570 WeakPolarHBondContact CB-OE1 3.45Å; S311-E570 PolarHBondContact OG-OE1 3.23Å; I568-E570 VanDerWaalsContact C-N 3.35Å; I568-E570 PolarHBondContact O-N 3.13Å
571	L	89.8	Confident	93.5	Very high	58 Å²	58	31.2 Å²	31.2	30%	0.304	17%	0.165	S	C	.	.	H	α-helix	trans	-80.2	-44.9	178.7	173.3	69.6	0	0	0	111.3	F493 I568 N569 Y573 E608 I609 Q612	F493-L571 HydrophobicContact CE2-CD1 4.24Å; F493-L571 HydrophobicContact CZ-CD1 4.28Å; I568-L571 WeakPolarHBondContact O-CB 3.46Å; I568-L571 PolarHBondContact O-N 3.46Å; N569-L571 PolarHBondContact O-N 2.81Å; L571-Y573 VanDerWaalsContact C-N 3.28Å; L571-Y573 PolarHBondContact O-N 3.35Å; L571-E608 HydrophobicContact CD2-CG 3.63Å; L571-I609 HydrophobicContact CD2-CD1 4.13Å; L571-Q612 HydrophobicContact CD2-CG 4.42Å
572	T	93.4	Very high	93.5	Very high	19 Å²	19	31.8 Å²	31.8	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-76	-15.4	-174.7	54.4	0	0	0	0	113.1	I568 N569 S575 M576 V582 F605 I609	I568-T572 HydrophobicContact CB-CG2 4.05Å; I568-T572 HydrophobicContact CD1-CG2 4.04Å; I568-T572 HydrophobicContact CG1-CG2 4Å; I568-T572 PolarHBondContact O-N 3.48Å; I568-T572 PolarHBondContact O-OG1 3.25Å; I568-T572 VanDerWaalsContact O-OG1 3.08Å; N569-T572 WeakPolarHBondContact CA-OG1 3.45Å; N569-T572 PolarHBondContact O-N 2.66Å; N569-T572 PolarHBondContact O-OG1 2.95Å; T572-S575 WeakPolarHBondContact CA-OG 3.43Å; T572-S575 PolarHBondContact O-N 2.95Å; T572-S575 PolarHBondContact O-OG 3.42Å; T572-M576 WeakPolarHBondContact O-CB 3.35Å; T572-M576 PolarHBondContact O-N 3.24Å; T572-V582 HydrophobicContact CG2-CG1 3.61Å; T572-F605 HydrophobicContact CG2-CE2 4.17Å; T572-F605 HydrophobicContact CG2-CZ 4.29Å; T572-I609 HydrophobicContact CG2-CD1 3.56Å
573	Y	93.6	Very high	93.5	Very high	23 Å²	23	33.4 Å²	33.4	9%	0.09	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-46.6	175.7	-171.4	-100.2	0	0	0	111.8	G302 H303 E304 N569 L571 S575 M576 L577	G302-Y573 PolarHBondContact O-OH 2.75Å; H303-Y573 HydrophobicContact CB-CE1 4.44Å; H303-Y573 AromaticContact CD2-CE1 3.59Å; H303-Y573 AromaticContact CE1-CD1 3.78Å; H303-Y573 AromaticContact CE1-CE1 3.86Å; H303-Y573 AromaticContact CG-CE1 3.78Å; H303-Y573 AromaticContact ND1-CE1 3.95Å; H303-Y573 AromaticContact NE2-CD1 3.92Å; H303-Y573 AromaticContact NE2-CE1 3.64Å; E304-Y573 HydrophobicContact CB-CD1 4.17Å; E304-Y573 HydrophobicContact CB-CD2 3.48Å; E304-Y573 VanDerWaalsContact CB-CD2 3.48Å; E304-Y573 HydrophobicContact CB-CE1 4.5Å; E304-Y573 HydrophobicContact CB-CE2 3.85Å; E304-Y573 HydrophobicContact CB-CG 3.64Å; E304-Y573 HydrophobicContact CG-CD2 3.54Å; E304-Y573 HydrophobicContact CG-CE2 3.44Å; E304-Y573 VanDerWaalsContact CG-CE2 3.44Å; E304-Y573 HydrophobicContact CG-CG 4.2Å; N569-Y573 WeakPolarHBondContact O-CB 3.34Å; N569-Y573 PolarHBondContact O-N 2.98Å; L571-Y573 VanDerWaalsContact C-N 3.28Å; L571-Y573 PolarHBondContact O-N 3.35Å; Y573-S575 VanDerWaalsContact C-N 3.35Å; Y573-S575 PolarHBondContact O-N 2.89Å; Y573-M576 HydrophobicContact CD2-CE 3.62Å; Y573-M576 HydrophobicContact CE2-CE 3.65Å; Y573-M576 WeakPolarHBondContact O-CB 3.23Å; Y573-M576 PolarHBondContact O-N 3.44Å; Y573-L577 HydrophobicContact CD1-CD1 4.02Å; Y573-L577 HydrophobicContact CD1-CG 4.4Å; Y573-L577 HydrophobicContact CE1-CD1 3.64Å; Y573-L577 HydrophobicContact CE1-CD2 4.48Å; Y573-L577 HydrophobicContact CE1-CG 4.11Å; Y573-L577 PolarHBondContact O-N 3.29Å
574	S	92.4	Very high	93.6	Very high	20 Å²	20	33.8 Å²	33.8	14%	0.14	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-40.8	175.9	-60.7	0	0	0	0	111.7	N491 M576 L577 A578	N491-S574 PolarHBondContact ND2-O 3.08Å; N491-S574 PolarHBondContact OD1-O 2.99Å; S574-M576 VanDerWaalsContact C-N 3.3Å; S574-M576 PolarHBondContact O-N 2.93Å; S574-L577 PolarHBondContact O-N 2.78Å; S574-A578 PolarHBondContact O-N 3.06Å; S574-A578 VanDerWaalsContact O-N 3.13Å
575	S	93	Very high	93.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-38.9	175.9	74.3	0	0	0	0	111.6	T572 Y573 A578 G579 M580 F605	T572-S575 WeakPolarHBondContact CA-OG 3.43Å; T572-S575 PolarHBondContact O-N 2.95Å; T572-S575 PolarHBondContact O-OG 3.42Å; Y573-S575 VanDerWaalsContact C-N 3.35Å; Y573-S575 PolarHBondContact O-N 2.89Å; S575-A578 CarbonylContact O-C 3.57Å; S575-A578 WeakPolarHBondContact O-CA 3.29Å; S575-A578 WeakPolarHBondContact O-CB 3.41Å; S575-A578 PolarHBondContact O-N 2.9Å; S575-A578 VanDerWaalsContact O-N 3.1Å; S575-G579 PolarHBondContact O-N 2.93Å; S575-M580 CarbonylContact C-O 3.54Å; S575-M580 CarbonylContact O-C 3.59Å; S575-M580 WeakPolarHBondContact O-CA 3.47Å; S575-M580 PolarHBondContact O-N 3.41Å; S575-M580 PolarHBondContact OG-O 3.1Å; S575-M580 VanDerWaalsContact OG-O 3.06Å; S575-F605 WeakPolarHBondContact OG-CE2 3.4Å; S575-F605 WeakPolarHBondContact OG-CZ 3.34Å
576	M	92.8	Very high	93.4	Very high	90 Å²	90	37.7 Å²	37.7	44%	0.443	19%	0.19	S	C	.	.	H	α-helix	trans	-62.2	-45.8	179	-178.3	-174.7	69.9	0	0	111.5	T572 Y573 S574 A578 G579 M580	T572-M576 WeakPolarHBondContact O-CB 3.35Å; T572-M576 PolarHBondContact O-N 3.24Å; Y573-M576 HydrophobicContact CD2-CE 3.62Å; Y573-M576 HydrophobicContact CE2-CE 3.65Å; Y573-M576 WeakPolarHBondContact O-CB 3.23Å; Y573-M576 PolarHBondContact O-N 3.44Å; S574-M576 VanDerWaalsContact C-N 3.3Å; S574-M576 PolarHBondContact O-N 2.93Å; M576-A578 PolarHBondContact O-N 3.24Å; M576-G579 PolarHBondContact O-N 3.45Å; M576-M580 WeakPolarHBondContact CA-O 3.25Å; M576-M580 PolarHBondContact N-O 2.88Å
577	L	92	Very high	93.4	Very high	35 Å²	35	37.8 Å²	37.8	18%	0.183	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-37.1	173.2	-67.4	178.3	0	0	0	111.8	L380 Y573 S574 G579	L380-L577 HydrophobicContact CD1-CB 4.11Å; L380-L577 WeakPolarHBondContact CD2-O 3.25Å; Y573-L577 HydrophobicContact CD1-CD1 4.02Å; Y573-L577 HydrophobicContact CD1-CG 4.4Å; Y573-L577 HydrophobicContact CE1-CD1 3.64Å; Y573-L577 HydrophobicContact CE1-CD2 4.48Å; Y573-L577 HydrophobicContact CE1-CG 4.11Å; Y573-L577 PolarHBondContact O-N 3.29Å; S574-L577 PolarHBondContact O-N 2.78Å; L577-G579 PolarHBondContact O-N 3.44Å
578	A	92.1	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	9.1	175.8	0	0	0	0	0	114.9	L380 F493 I494 S574 S575 M576 Y598	L380-A578 HydrophobicContact CD2-CB 4.37Å; F493-A578 HydrophobicContact CB-CB 3.73Å; I494-A578 HydrophobicContact CG1-CB 4.27Å; S574-A578 PolarHBondContact O-N 3.06Å; S574-A578 VanDerWaalsContact O-N 3.13Å; S575-A578 CarbonylContact O-C 3.57Å; S575-A578 WeakPolarHBondContact O-CA 3.29Å; S575-A578 WeakPolarHBondContact O-CB 3.41Å; S575-A578 PolarHBondContact O-N 2.9Å; S575-A578 VanDerWaalsContact O-N 3.1Å; M576-A578 PolarHBondContact O-N 3.24Å; A578-Y598 WeakPolarHBondContact O-CD2 3.49Å; A578-Y598 WeakPolarHBondContact O-CE2 3.46Å
579	G	90.5	Very high	93	Very high	25 Å²	25	37.3 Å²	37.3	26%	0.258	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	23.6	179.3	0	0	0	0	0	114.3	S575 M576 L577 G597	S575-G579 PolarHBondContact O-N 2.93Å; M576-G579 PolarHBondContact O-N 3.45Å; L577-G579 PolarHBondContact O-N 3.44Å; G579-G597 WeakPolarHBondContact O-CA 3.36Å
580	M	92	Very high	93	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.			trans	-122.7	121.8	173.5	-71.4	-176.5	-63.7	0	0	111.9	F493 S575 M576 L596 K601 F605	F493-M580 HydrophobicContact CB-CE 3.43Å; F493-M580 VanDerWaalsContact CB-CE 3.43Å; F493-M580 HydrophobicContact CD1-CE 3.62Å; F493-M580 HydrophobicContact CG-CE 3.9Å; F493-M580 WeakPolarHBondContact O-CE 3.06Å; S575-M580 CarbonylContact C-O 3.54Å; S575-M580 CarbonylContact O-C 3.59Å; S575-M580 WeakPolarHBondContact O-CA 3.47Å; S575-M580 PolarHBondContact O-N 3.41Å; S575-M580 PolarHBondContact OG-O 3.1Å; S575-M580 VanDerWaalsContact OG-O 3.06Å; M576-M580 WeakPolarHBondContact CA-O 3.25Å; M576-M580 PolarHBondContact N-O 2.88Å; M580-L596 CarbonylContact C-O 3.6Å; M580-L596 VanDerWaalsContact CA-O 3.26Å; M580-L596 WeakPolarHBondContact CA-O 2.87Å; M580-K601 HydrophobicContact CE-CB 3.6Å; M580-K601 HydrophobicContact CE-CG 4.44Å; M580-K601 HydrophobicContact SD-CB 3.61Å; M580-F605 HydrophobicContact CB-CD1 4.37Å; M580-F605 HydrophobicContact CB-CE1 4.4Å; M580-F605 HydrophobicContact SD-CB 4.43Å
581	T	94.9	Very high	93.4	Very high	33 Å²	33	32.8 Å²	32.8	20%	0.202	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.5	-174.9	-50.9	0	0	0	0	110.6	Y583 F595 L596	T581-Y583 HydrophobicContact CG2-CD1 4.47Å; T581-Y583 HydrophobicContact CG2-CD2 4.31Å; T581-Y583 HydrophobicContact CG2-CE1 4Å; T581-Y583 HydrophobicContact CG2-CE2 3.8Å; T581-F595 CarbonylContact O-C 3.56Å; T581-F595 WeakPolarHBondContact O-CA 3.4Å; T581-L596 PolarHBondContact N-O 3.47Å; T581-L596 PolarHBondContact O-N 2.9Å
582	V	97.1	Very high	93.7	Very high	15 Å²	15	31.9 Å²	31.9	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.1	165.4	61.9	0	0	0	0	109	I568 T572 T594 F595 F605 I609	I568-V582 HydrophobicContact CD1-CG1 3.89Å; T572-V582 HydrophobicContact CG2-CG1 3.61Å; V582-T594 CarbonylContact C-O 3.58Å; V582-T594 WeakPolarHBondContact CA-O 3.33Å; V582-F595 HydrophobicContact CB-CD1 3.82Å; V582-F595 HydrophobicContact CB-CE1 3.95Å; V582-F595 HydrophobicContact CG2-CD1 3.66Å; V582-F595 HydrophobicContact CG2-CE1 3.46Å; V582-F595 VanDerWaalsContact CG2-CE1 3.46Å; V582-F595 HydrophobicContact CG2-CE2 4.48Å; V582-F595 HydrophobicContact CG2-CG 4.26Å; V582-F595 HydrophobicContact CG2-CZ 3.91Å; V582-F605 HydrophobicContact CB-CE1 4.03Å; V582-F605 HydrophobicContact CB-CZ 3.91Å; V582-F605 HydrophobicContact CG1-CE1 4.47Å; V582-F605 HydrophobicContact CG1-CZ 3.84Å; V582-I609 HydrophobicContact CG1-CD1 4.49Å; V582-I609 HydrophobicContact CG1-CG1 4.4Å; V582-I609 HydrophobicContact CG2-CG2 4.33Å
583	Y	96.4	Very high	93.9	Very high	93 Å²	93	31 Å²	31	37%	0.365	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.6	170.3	-61.2	-77.7	0	0	0	109.1	T581 L593 T594 L596	T581-Y583 HydrophobicContact CG2-CD1 4.47Å; T581-Y583 HydrophobicContact CG2-CD2 4.31Å; T581-Y583 HydrophobicContact CG2-CE1 4Å; T581-Y583 HydrophobicContact CG2-CE2 3.8Å; Y583-L593 WeakPolarHBondContact O-CA 3.45Å; Y583-T594 HydrophobicContact CD2-CG2 4.48Å; Y583-T594 PolarHBondContact N-O 3.38Å; Y583-T594 PolarHBondContact O-N 2.84Å; Y583-L596 HydrophobicContact CD2-CD1 4.43Å; Y583-L596 HydrophobicContact CE2-CD1 3.75Å; Y583-L596 HydrophobicContact CE2-CG 4.27Å
584	V	97.1	Very high	94.1	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121	170.2	-175.2	0	0	0	0	107.3	A561 F564 E565 I568 I591 L593	A561-V584 HydrophobicContact CB-CG1 4.32Å; F564-V584 HydrophobicContact CD1-CG1 4.13Å; F564-V584 HydrophobicContact CD1-CG2 3.94Å; F564-V584 HydrophobicContact CE1-CG2 4.1Å; E565-V584 HydrophobicContact CB-CB 4.18Å; E565-V584 HydrophobicContact CB-CG2 4.38Å; E565-V584 HydrophobicContact CG-CB 4.49Å; I568-V584 HydrophobicContact CD1-CG2 3.93Å; V584-I591 HydrophobicContact CG1-CG2 4.15Å; V584-L593 HydrophobicContact CB-CD2 4.31Å; V584-L593 HydrophobicContact CG1-CD2 4.04Å; V584-L593 HydrophobicContact CG2-CD2 3.85Å
585	K	95.5	Very high	94.4	Very high	119 Å²	119	29.7 Å²	29.7	52%	0.517	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.8	179.5	-68.1	-167.9	175.7	-174	0	111.6	K592	K585-K592 PolarHBondContact N-O 3.1Å; K585-K592 PolarHBondContact O-N 2.87Å
586	H	94.5	Very high	94.5	Very high	44 Å²	44	30.6 Å²	30.6	20%	0.204	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.9	159.6	169	-93.5	0	0	0	110.1	A547 L558 A561	A547-H586 PolarHBondContact O-NE2 2.8Å; L558-H586 HydrophobicContact CD2-CB 3.7Å; L558-H586 WeakPolarHBondContact CD2-ND1 2.84Å; L558-H586 HydrophobicContact CG-CB 4.38Å; A561-H586 HydrophobicContact CB-CB 4.39Å
587	T	92.7	Very high	94.5	Very high	31 Å²	31	26.6 Å²	26.6	19%	0.19	14%	0.143	C	C	.	.			trans	-134.9	169.9	171.4	78.9	0	0	0	0	109.3	H541 E589 G590 K592	H541-T587 PolarHBondContact CE1-OG1 3.35Å; H541-T587 PolarHBondContact NE2-OG1 3.5Å; T587-E589 PolarHBondContact O-N 2.87Å; T587-E589 VanDerWaalsContact O-N 3.14Å; T587-E589 PolarHBondContact OG1-N 3.49Å; T587-G590 PolarHBondContact N-O 3.38Å; T587-G590 PolarHBondContact O-N 2.84Å; T587-G590 PolarHBondContact OG1-N 2.68Å; T587-G590 PolarHBondContact OG1-O 2.91Å; T587-K592 HydrophobicContact CG2-CB 4.05Å
588	A	88.4	Confident	94.6	Very high	47 Å²	47	25.2 Å²	25.2	39%	0.388	14%	0.136	S	C	.	.	S	Bend	trans	-63.1	-14.2	171.9	0	0	0	0	0	113.8	F548	F548-A588 HydrophobicContact CB-CB 4.32Å; F548-A588 WeakPolarHBondContact CB-O 3.14Å; F548-A588 HydrophobicContact CD1-CB 4.24Å; F548-A588 HydrophobicContact CD2-CB 4.14Å; F548-A588 HydrophobicContact CG-CB 3.99Å
589	E	91	Very high	94.7	Very high	29 Å²	29	26.4 Å²	26.4	14%	0.136	14%	0.144	C	C	.	.	S	Bend	trans	-106.5	-19.1	-179.8	-61.2	-177.2	175.9	0	0	112.6	H541 V543 S544 T587 R904	H541-E589 IonicContact CE1-OE2 3.12Å; H541-E589 PolarHBondContact CE1-OE2 2.77Å; H541-E589 IonicContact ND1-OE2 3.45Å; V543-E589 CarbonylContact C-O 3.59Å; V543-E589 VanDerWaalsContact CA-O 3.24Å; V543-E589 WeakPolarHBondContact CA-O 3.43Å; V543-E589 HydrophobicContact CG1-CB 4.18Å; V543-E589 WeakPolarHBondContact CG1-O 3.37Å; V543-E589 HydrophobicContact CG2-CB 4.24Å; S544-E589 PolarHBondContact N-O 3.16Å; T587-E589 PolarHBondContact O-N 2.87Å; T587-E589 VanDerWaalsContact O-N 3.14Å; T587-E589 PolarHBondContact OG1-N 3.49Å; E589-R904 IonicContact OE1-CZ 3.47Å; E589-R904 IonicContact OE1-NH1 3.95Å; E589-R904 PolarHBondContact OE1-NH1 2.9Å; E589-R904 IonicContact OE1-NH2 2.92Å; E589-R904 PolarHBondContact OE1-NH2 2.92Å; E589-R904 IonicContact OE2-CZ 3.43Å; E589-R904 IonicContact OE2-NH1 3.97Å; E589-R904 IonicContact OE2-NH2 3.91Å; E589-R904 PolarHBondContact OE2-NH2 3.3Å
590	G	94.8	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-149.5	-169.1	0	0	0	0	0	116.2	I542 A547 T587	I542-G590 WeakPolarHBondContact O-CA 3.39Å; A547-G590 VanDerWaalsContact CB-N 3.31Å; T587-G590 PolarHBondContact N-O 3.38Å; T587-G590 PolarHBondContact O-N 2.84Å; T587-G590 PolarHBondContact OG1-N 2.68Å; T587-G590 PolarHBondContact OG1-O 2.91Å
591	I	97.1	Very high	94.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.4	174.5	-62.5	175.6	0	0	0	108.1	I542 Y560 A561 V584 L593 F683	I542-I591 PolarHBondContact N-O 3.38Å; I542-I591 PolarHBondContact O-N 2.86Å; Y560-I591 HydrophobicContact CD1-CD1 3.55Å; Y560-I591 HydrophobicContact CE1-CD1 3.8Å; A561-I591 HydrophobicContact CB-CD1 4.37Å; A561-I591 HydrophobicContact CB-CG1 4.42Å; V584-I591 HydrophobicContact CG1-CG2 4.15Å; I591-L593 HydrophobicContact CG2-CD2 4.41Å; I591-F683 HydrophobicContact CB-CZ 4.21Å; I591-F683 HydrophobicContact CD1-CE1 4.03Å; I591-F683 HydrophobicContact CD1-CE2 4.34Å; I591-F683 HydrophobicContact CD1-CZ 3.82Å; I591-F683 HydrophobicContact CG1-CE1 4.37Å; I591-F683 HydrophobicContact CG1-CE2 4.25Å; I591-F683 HydrophobicContact CG1-CZ 3.73Å
592	K	96.9	Very high	94.9	Very high	38 Å²	38	29.1 Å²	29.1	17%	0.165	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.2	-179.3	-169.4	176.4	71.2	175.2	0	110.5	T539 F540 H541 K585 T587 W898	T539-K592 HydrophobicContact CG2-CD 3.73Å; T539-K592 HydrophobicContact CG2-CG 3.62Å; F540-K592 WeakPolarHBondContact O-CA 3.44Å; H541-K592 HydrophobicContact CB-CG 4.32Å; K585-K592 PolarHBondContact N-O 3.1Å; K585-K592 PolarHBondContact O-N 2.87Å; T587-K592 HydrophobicContact CG2-CB 4.05Å; K592-W898 HydrophobicContact CD-CZ2 3.8Å
593	L	97.8	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.4	172.5	-54.8	179.3	0	0	0	108.4	T539 F540 F564 Y583 V584 I591 F595	T539-L593 CarbonylContact C-O 3.54Å; T539-L593 VanDerWaalsContact CA-O 3.3Å; T539-L593 WeakPolarHBondContact CA-O 3.21Å; F540-L593 PolarHBondContact N-O 3.04Å; F540-L593 PolarHBondContact O-N 2.83Å; F564-L593 HydrophobicContact CE1-CD2 4.31Å; Y583-L593 WeakPolarHBondContact O-CA 3.45Å; V584-L593 HydrophobicContact CB-CD2 4.31Å; V584-L593 HydrophobicContact CG1-CD2 4.04Å; V584-L593 HydrophobicContact CG2-CD2 3.85Å; I591-L593 HydrophobicContact CG2-CD2 4.41Å; L593-F595 HydrophobicContact CB-CE2 3.75Å; L593-F595 HydrophobicContact CB-CZ 4.1Å
594	T	97.8	Very high	94.6	Very high	15 Å²	15	30.5 Å²	30.5	9%	0.092	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.3	179.5	-64.4	0	0	0	0	110.1	I538 T539 V582 Y583 L596 F894	I538-T594 CarbonylContact O-C 3.46Å; I538-T594 WeakPolarHBondContact O-CA 3.41Å; T539-T594 WeakPolarHBondContact OG1-CB 3.18Å; T539-T594 VanDerWaalsContact OG1-CG2 3.31Å; T539-T594 WeakPolarHBondContact OG1-CG2 3.45Å; T539-T594 PolarHBondContact OG1-OG1 2.82Å; V582-T594 CarbonylContact C-O 3.58Å; V582-T594 WeakPolarHBondContact CA-O 3.33Å; Y583-T594 HydrophobicContact CD2-CG2 4.48Å; Y583-T594 PolarHBondContact N-O 3.38Å; Y583-T594 PolarHBondContact O-N 2.84Å; T594-L596 HydrophobicContact CG2-CD2 3.8Å; T594-L596 HydrophobicContact CG2-CG 4.42Å; T594-F894 HydrophobicContact CG2-CE1 4.14Å
595	F	97.8	Very high	94.5	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.5	-179.3	-52.7	-96.7	0	0	0	110.7	F537 I538 F540 T581 V582 L593 L602 F605 V606 I609	F537-F595 CarbonylContact C-O 3.54Å; F537-F595 WeakPolarHBondContact CA-O 3.42Å; I538-F595 HydrophobicContact CB-CB 4.25Å; I538-F595 HydrophobicContact CB-CD2 4.36Å; I538-F595 HydrophobicContact CG2-CD2 4.31Å; I538-F595 PolarHBondContact N-O 2.96Å; I538-F595 PolarHBondContact O-N 3.06Å; F540-F595 HydrophobicContact CD2-CE2 4.26Å; T581-F595 CarbonylContact O-C 3.56Å; T581-F595 WeakPolarHBondContact O-CA 3.4Å; V582-F595 HydrophobicContact CB-CD1 3.82Å; V582-F595 HydrophobicContact CB-CE1 3.95Å; V582-F595 HydrophobicContact CG2-CD1 3.66Å; V582-F595 HydrophobicContact CG2-CE1 3.46Å; V582-F595 VanDerWaalsContact CG2-CE1 3.46Å; V582-F595 HydrophobicContact CG2-CE2 4.48Å; V582-F595 HydrophobicContact CG2-CG 4.26Å; V582-F595 HydrophobicContact CG2-CZ 3.91Å; L593-F595 HydrophobicContact CB-CE2 3.75Å; L593-F595 HydrophobicContact CB-CZ 4.1Å; F595-L602 HydrophobicContact CB-CD1 4.17Å; F595-F605 AromaticContact CD1-CD1 3.99Å; F595-F605 HydrophobicContact CD1-CD1 3.99Å; F595-F605 AromaticContact CD1-CE1 3.82Å; F595-F605 HydrophobicContact CD1-CE1 3.82Å; F595-V606 HydrophobicContact CB-CG2 4.15Å; F595-V606 HydrophobicContact CD1-CG2 3.83Å; F595-V606 HydrophobicContact CD2-CG1 4.4Å; F595-V606 HydrophobicContact CD2-CG2 4.11Å; F595-V606 HydrophobicContact CE1-CB 4.43Å; F595-V606 HydrophobicContact CE1-CG1 4.41Å; F595-V606 HydrophobicContact CE1-CG2 4.22Å; F595-V606 HydrophobicContact CE2-CG1 4.07Å; F595-V606 HydrophobicContact CE2-CG2 4.49Å; F595-V606 HydrophobicContact CG-CG2 3.77Å; F595-V606 HydrophobicContact CZ-CG1 4.07Å; F595-I609 HydrophobicContact CE1-CB 3.75Å; F595-I609 HydrophobicContact CE1-CG1 4.07Å; F595-I609 HydrophobicContact CE1-CG2 3.84Å; F595-I609 HydrophobicContact CZ-CB 4.22Å; F595-I609 HydrophobicContact CZ-CG2 4.02Å
596	L	95.1	Very high	94.5	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.099	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.7	176.9	-45.2	-175.5	0	0	0	109.2	G536 F537 M580 T581 Y583 T594	G536-L596 WeakPolarHBondContact O-CA 3.39Å; F537-L596 HydrophobicContact CB-CD2 4.08Å; F537-L596 HydrophobicContact CD1-CB 4.49Å; F537-L596 HydrophobicContact CD1-CD1 4.39Å; F537-L596 HydrophobicContact CD1-CD2 3.19Å; F537-L596 HydrophobicContact CD1-CG 4.2Å; F537-L596 HydrophobicContact CE1-CB 4.39Å; F537-L596 HydrophobicContact CE1-CD1 4.12Å; F537-L596 HydrophobicContact CE1-CD2 3.74Å; F537-L596 HydrophobicContact CE1-CG 4.3Å; F537-L596 HydrophobicContact CG-CD2 3.87Å; M580-L596 CarbonylContact C-O 3.6Å; M580-L596 VanDerWaalsContact CA-O 3.26Å; M580-L596 WeakPolarHBondContact CA-O 2.87Å; T581-L596 PolarHBondContact N-O 3.47Å; T581-L596 PolarHBondContact O-N 2.9Å; Y583-L596 HydrophobicContact CD2-CD1 4.43Å; Y583-L596 HydrophobicContact CE2-CD1 3.75Å; Y583-L596 HydrophobicContact CE2-CG 4.27Å; T594-L596 HydrophobicContact CG2-CD2 3.8Å; T594-L596 HydrophobicContact CG2-CG 4.42Å
597	G	93.2	Very high	94.5	Very high	6 Å²	6	27.1 Å²	27.1	6%	0.062	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.4	-160.5	166.4	0	0	0	0	0	114.7	K535 G536 G579	K535-G597 CarbonylContact C-O 3.59Å; K535-G597 WeakPolarHBondContact CA-O 3.21Å; G536-G597 PolarHBondContact N-O 3.05Å; G536-G597 PolarHBondContact O-N 2.83Å; G536-G597 VanDerWaalsContact O-N 3.09Å; G579-G597 WeakPolarHBondContact O-CA 3.36Å
598	Y	93.6	Very high	94.6	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.027	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.5	-172.5	-62.6	-68.9	0	0	0	113.7	L383 N384 F387 A495 F498 P534 K535 A578 H600 K601 L602	L383-Y598 HydrophobicContact CD2-CD2 4.26Å; L383-Y598 HydrophobicContact CD2-CE2 3.57Å; L383-Y598 HydrophobicContact CG-CE2 4.13Å; N384-Y598 PolarHBondContact OD1-OH 3.06Å; F387-Y598 HydrophobicContact CB-CE1 4.16Å; F387-Y598 AromaticContact CD2-CE1 3.94Å; F387-Y598 HydrophobicContact CD2-CE1 3.94Å; F387-Y598 HydrophobicContact CG-CE1 4.27Å; A495-Y598 HydrophobicContact CB-CD2 3.99Å; A495-Y598 HydrophobicContact CB-CG 3.9Å; F498-Y598 HydrophobicContact CD1-CD1 4.41Å; F498-Y598 HydrophobicContact CE1-CD1 4.16Å; F498-Y598 HydrophobicContact CE1-CE1 4.38Å; P534-Y598 HydrophobicContact CG-CD1 4.34Å; P534-Y598 CarbonylContact O-C 3.57Å; P534-Y598 VanDerWaalsContact O-CA 3.3Å; P534-Y598 WeakPolarHBondContact O-CA 3.34Å; K535-Y598 HydrophobicContact CG-CD1 4.28Å; K535-Y598 HydrophobicContact CG-CE1 4.44Å; A578-Y598 WeakPolarHBondContact O-CD2 3.49Å; A578-Y598 WeakPolarHBondContact O-CE2 3.46Å; Y598-H600 VanDerWaalsContact C-N 3.26Å; Y598-H600 PolarHBondContact O-N 3.36Å; Y598-H600 VanDerWaalsContact O-N 3.16Å; Y598-K601 PolarHBondContact O-N 3.25Å; Y598-L602 WeakPolarHBondContact O-CB 3.44Å; Y598-L602 PolarHBondContact O-N 2.9Å
599	S	93.6	Very high	95	Very high	25 Å²	25	26.9 Å²	26.9	18%	0.175	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-32.5	-172.7	57.4	0	0	0	0	113.9	P534 K601 L602 N696	P534-S599 PolarHBondContact O-N 3.38Å; P534-S599 PolarHBondContact O-OG 3.27Å; S599-K601 PolarHBondContact O-N 2.53Å; S599-L602 PolarHBondContact O-N 2.8Å; S599-N696 VanDerWaalsContact CB-O 3.3Å; S599-N696 WeakPolarHBondContact CB-O 3.41Å; S599-N696 PolarHBondContact OG-ND2 3.07Å
600	H	94.1	Very high	95.2	Very high	57 Å²	57	25.6 Å²	25.6	26%	0.264	13%	0.129	S	C	.	.	H	α-helix	trans	-56.7	-46.5	-179	172	-140.4	0	0	0	113.6	T496 E497 Y598	T496-H600 PolarHBondContact N-ND1 2.8Å; T496-H600 PolarHBondContact OG1-CE1 2.77Å; E497-H600 HydrophobicContact CB-CB 4.14Å; E497-H600 WeakPolarHBondContact O-CB 3.37Å; E497-H600 IonicContact OE2-CD2 3.04Å; Y598-H600 VanDerWaalsContact C-N 3.26Å; Y598-H600 PolarHBondContact O-N 3.36Å; Y598-H600 VanDerWaalsContact O-N 3.16Å
601	K	93.8	Very high	95.3	Very high	57 Å²	57	27.7 Å²	27.7	25%	0.248	14%	0.142	C	C	.	.	H	α-helix	trans	-102.4	-4.9	-175.9	-65.9	-67.7	-170.7	169.8	0	113.4	M580 Y598 S599 K603 S604 F605	M580-K601 HydrophobicContact CE-CB 3.6Å; M580-K601 HydrophobicContact CE-CG 4.44Å; M580-K601 HydrophobicContact SD-CB 3.61Å; Y598-K601 PolarHBondContact O-N 3.25Å; S599-K601 PolarHBondContact O-N 2.53Å; K601-K603 VanDerWaalsContact C-N 3.32Å; K601-K603 PolarHBondContact O-N 3.39Å; K601-S604 PolarHBondContact O-N 2.84Å; K601-S604 PolarHBondContact O-OG 2.78Å; K601-F605 WeakPolarHBondContact O-CB 3.17Å; K601-F605 PolarHBondContact O-N 2.75Å
602	L	94.1	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-39.5	-175.4	-168.6	59.6	0	0	0	112.4	I538 F595 Y598 S599 F605 V606 I697	I538-L602 HydrophobicContact CD1-CD2 3.63Å; I538-L602 HydrophobicContact CD1-CG 3.88Å; I538-L602 HydrophobicContact CG1-CD2 4.16Å; F595-L602 HydrophobicContact CB-CD1 4.17Å; Y598-L602 WeakPolarHBondContact O-CB 3.44Å; Y598-L602 PolarHBondContact O-N 2.9Å; S599-L602 PolarHBondContact O-N 2.8Å; L602-F605 HydrophobicContact CD1-CD1 4.43Å; L602-F605 PolarHBondContact O-N 3.09Å; L602-V606 HydrophobicContact CD1-CG2 4.29Å; L602-V606 HydrophobicContact CG-CG2 4.35Å; L602-V606 VanDerWaalsContact O-CG2 3.28Å; L602-V606 WeakPolarHBondContact O-CG2 3.38Å; L602-V606 PolarHBondContact O-N 3.12Å; L602-I697 HydrophobicContact CD2-CD1 4Å
603	K	93.1	Very high	95.2	Very high	80 Å²	80	28.6 Å²	28.6	35%	0.348	15%	0.147	S	C	.	.	H	α-helix	trans	-60	-55.1	179.3	-168.7	169	-172.3	163.2	0	113.1	K601 F605 V606 E607 D701 S704 Y705	K601-K603 VanDerWaalsContact C-N 3.32Å; K601-K603 PolarHBondContact O-N 3.39Å; K603-F605 PolarHBondContact O-N 3.43Å; K603-V606 PolarHBondContact O-N 3.42Å; K603-E607 WeakPolarHBondContact O-CB 3.17Å; K603-E607 PolarHBondContact O-N 3.32Å; K603-D701 IonicContact NZ-OD1 3.8Å; K603-S704 WeakPolarHBondContact CE-OG 3.38Å; K603-S704 PolarHBondContact NZ-OG 2.87Å; K603-Y705 WeakPolarHBondContact CA-OH 3.45Å; K603-Y705 HydrophobicContact CB-CE1 4.16Å; K603-Y705 HydrophobicContact CG-CE1 4.2Å; K603-Y705 PolarHBondContact N-OH 3.5Å
604	S	93.6	Very high	95	Very high	57 Å²	57	29 Å²	29	40%	0.399	15%	0.149	S	C	.	.	H	α-helix	trans	-59.6	-35.5	175.7	43.3	0	0	0	0	112.4	K601 E608	K601-S604 PolarHBondContact O-N 2.84Å; K601-S604 PolarHBondContact O-OG 2.78Å; S604-E608 WeakPolarHBondContact O-CB 3.44Å; S604-E608 PolarHBondContact O-N 2.64Å
605	F	95.1	Very high	94.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.3	-47	178.9	-179.3	-124	0	0	0	112	F493 T572 S575 M580 V582 F595 K601 L602 K603 E607 E608 I609	F493-F605 HydrophobicContact CD1-CD2 4.49Å; F493-F605 HydrophobicContact CE1-CB 4.42Å; F493-F605 AromaticContact CE1-CD2 3.92Å; F493-F605 HydrophobicContact CE1-CD2 3.92Å; F493-F605 HydrophobicContact CZ-CD2 4.32Å; T572-F605 HydrophobicContact CG2-CE2 4.17Å; T572-F605 HydrophobicContact CG2-CZ 4.29Å; S575-F605 WeakPolarHBondContact OG-CE2 3.4Å; S575-F605 WeakPolarHBondContact OG-CZ 3.34Å; M580-F605 HydrophobicContact CB-CD1 4.37Å; M580-F605 HydrophobicContact CB-CE1 4.4Å; M580-F605 HydrophobicContact SD-CB 4.43Å; V582-F605 HydrophobicContact CB-CE1 4.03Å; V582-F605 HydrophobicContact CB-CZ 3.91Å; V582-F605 HydrophobicContact CG1-CE1 4.47Å; V582-F605 HydrophobicContact CG1-CZ 3.84Å; F595-F605 AromaticContact CD1-CD1 3.99Å; F595-F605 HydrophobicContact CD1-CD1 3.99Å; F595-F605 AromaticContact CD1-CE1 3.82Å; F595-F605 HydrophobicContact CD1-CE1 3.82Å; K601-F605 WeakPolarHBondContact O-CB 3.17Å; K601-F605 PolarHBondContact O-N 2.75Å; L602-F605 HydrophobicContact CD1-CD1 4.43Å; L602-F605 PolarHBondContact O-N 3.09Å; K603-F605 PolarHBondContact O-N 3.43Å; F605-E607 VanDerWaalsContact C-N 3.33Å; F605-E607 PolarHBondContact O-N 2.87Å; F605-E608 PolarHBondContact O-N 3.39Å; F605-I609 HydrophobicContact CD2-CG1 4.15Å; F605-I609 HydrophobicContact CE2-CD1 4.05Å; F605-I609 HydrophobicContact CE2-CG1 3.8Å; F605-I609 HydrophobicContact CZ-CG1 4.13Å; F605-I609 WeakPolarHBondContact O-CG1 2.99Å; F605-I609 PolarHBondContact O-N 2.72Å; F605-I609 VanDerWaalsContact O-N 3.09Å
606	V	96.2	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-40.5	176.9	-177.5	0	0	0	0	110.8	I538 F540 F595 L602 K603 I609 A610 Y705 M708	I538-V606 HydrophobicContact CD1-CG2 3.98Å; F540-V606 HydrophobicContact CE2-CG1 4.23Å; F595-V606 HydrophobicContact CB-CG2 4.15Å; F595-V606 HydrophobicContact CD1-CG2 3.83Å; F595-V606 HydrophobicContact CD2-CG1 4.4Å; F595-V606 HydrophobicContact CD2-CG2 4.11Å; F595-V606 HydrophobicContact CE1-CB 4.43Å; F595-V606 HydrophobicContact CE1-CG1 4.41Å; F595-V606 HydrophobicContact CE1-CG2 4.22Å; F595-V606 HydrophobicContact CE2-CG1 4.07Å; F595-V606 HydrophobicContact CE2-CG2 4.49Å; F595-V606 HydrophobicContact CG-CG2 3.77Å; F595-V606 HydrophobicContact CZ-CG1 4.07Å; L602-V606 HydrophobicContact CD1-CG2 4.29Å; L602-V606 HydrophobicContact CG-CG2 4.35Å; L602-V606 VanDerWaalsContact O-CG2 3.28Å; L602-V606 WeakPolarHBondContact O-CG2 3.38Å; L602-V606 PolarHBondContact O-N 3.12Å; K603-V606 PolarHBondContact O-N 3.42Å; V606-I609 PolarHBondContact O-N 3.38Å; V606-A610 WeakPolarHBondContact O-CB 3.25Å; V606-A610 PolarHBondContact O-N 2.79Å; V606-Y705 HydrophobicContact CB-CD1 4.08Å; V606-Y705 HydrophobicContact CB-CE1 3.99Å; V606-Y705 HydrophobicContact CG1-CD1 4.06Å; V606-Y705 HydrophobicContact CG1-CE1 4.47Å; V606-Y705 HydrophobicContact CG2-CD1 4.21Å; V606-Y705 HydrophobicContact CG2-CE1 3.86Å; V606-M708 HydrophobicContact CB-CE 4.06Å; V606-M708 HydrophobicContact CG1-CE 3.49Å; V606-M708 VanDerWaalsContact CG1-CE 3.49Å
607	E	95.1	Very high	94.6	Very high	100 Å²	100	40.5 Å²	40.5	47%	0.467	20%	0.203	S	C	.	.	H	α-helix	trans	-61	-46.7	177.5	-173.6	170.6	-170.2	0	0	112.3	K603 F605 T611 M708	K603-E607 WeakPolarHBondContact O-CB 3.17Å; K603-E607 PolarHBondContact O-N 3.32Å; F605-E607 VanDerWaalsContact C-N 3.33Å; F605-E607 PolarHBondContact O-N 2.87Å; E607-T611 VanDerWaalsContact O-CB 3.27Å; E607-T611 WeakPolarHBondContact O-CB 3.05Å; E607-T611 PolarHBondContact O-N 2.94Å; E607-T611 PolarHBondContact O-OG1 2.86Å; E607-M708 WeakPolarHBondContact CA-SD 3.13Å; E607-M708 HydrophobicContact CB-CE 4.28Å; E607-M708 HydrophobicContact CB-SD 3.44Å; E607-M708 WeakPolarHBondContact CB-SD 3.48Å; E607-M708 HydrophobicContact CG-SD 3.65Å
608	E	95.1	Very high	94.6	Very high	74 Å²	74	40.4 Å²	40.4	35%	0.346	20%	0.202	S	C	.	.	H	α-helix	trans	-61.6	-50	178.5	-177.8	59.3	-143.3	0	0	110.8	L571 S604 F605 A610 T611 Q612	L571-E608 HydrophobicContact CD2-CG 3.63Å; S604-E608 WeakPolarHBondContact O-CB 3.44Å; S604-E608 PolarHBondContact O-N 2.64Å; F605-E608 PolarHBondContact O-N 3.39Å; E608-A610 PolarHBondContact O-N 3.46Å; E608-T611 WeakPolarHBondContact O-CB 3.38Å; E608-T611 PolarHBondContact O-N 2.79Å; E608-Q612 WeakPolarHBondContact O-CG 3.39Å; E608-Q612 PolarHBondContact O-N 2.92Å; E608-Q612 PolarHBondContact OE1-NE2 2.54Å
609	I	96.6	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-40	-179	-59.9	-57.6	0	0	0	112.1	F564 I568 L571 T572 V582 F595 F605 V606 T611 Q612 F613	F564-I609 HydrophobicContact CE1-CG2 4.36Å; F564-I609 HydrophobicContact CZ-CG2 4.19Å; I568-I609 HydrophobicContact CB-CD1 4.38Å; I568-I609 HydrophobicContact CD1-CD1 4.4Å; I568-I609 HydrophobicContact CD1-CG2 4.36Å; I568-I609 HydrophobicContact CG2-CD1 4.47Å; L571-I609 HydrophobicContact CD2-CD1 4.13Å; T572-I609 HydrophobicContact CG2-CD1 3.56Å; V582-I609 HydrophobicContact CG1-CD1 4.49Å; V582-I609 HydrophobicContact CG1-CG1 4.4Å; V582-I609 HydrophobicContact CG2-CG2 4.33Å; F595-I609 HydrophobicContact CE1-CB 3.75Å; F595-I609 HydrophobicContact CE1-CG1 4.07Å; F595-I609 HydrophobicContact CE1-CG2 3.84Å; F595-I609 HydrophobicContact CZ-CB 4.22Å; F595-I609 HydrophobicContact CZ-CG2 4.02Å; F605-I609 HydrophobicContact CD2-CG1 4.15Å; F605-I609 HydrophobicContact CE2-CD1 4.05Å; F605-I609 HydrophobicContact CE2-CG1 3.8Å; F605-I609 HydrophobicContact CZ-CG1 4.13Å; F605-I609 WeakPolarHBondContact O-CG1 2.99Å; F605-I609 PolarHBondContact O-N 2.72Å; F605-I609 VanDerWaalsContact O-N 3.09Å; V606-I609 PolarHBondContact O-N 3.38Å; I609-T611 VanDerWaalsContact C-N 3.28Å; I609-T611 PolarHBondContact O-N 2.85Å; I609-Q612 PolarHBondContact O-N 3.33Å; I609-F613 WeakPolarHBondContact O-CB 3.43Å; I609-F613 PolarHBondContact O-N 3.22Å
610	A	95.6	Very high	94.6	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-38.1	174.9	0	0	0	0	0	111.3	V606 E608 F613 V614 M708 L712	V606-A610 WeakPolarHBondContact O-CB 3.25Å; V606-A610 PolarHBondContact O-N 2.79Å; E608-A610 PolarHBondContact O-N 3.46Å; A610-F613 PolarHBondContact O-N 3.36Å; A610-V614 PolarHBondContact O-N 2.85Å; A610-V614 VanDerWaalsContact O-N 3.15Å; A610-M708 HydrophobicContact CB-CE 4.4Å; A610-L712 HydrophobicContact CB-CD1 3.71Å
611	T	95.9	Very high	94.4	Very high	44 Å²	44	45.3 Å²	45.3	27%	0.27	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-43.1	175.1	-61	0	0	0	0	111.6	E607 E608 I609 F613 V614 N615	E607-T611 VanDerWaalsContact O-CB 3.27Å; E607-T611 WeakPolarHBondContact O-CB 3.05Å; E607-T611 PolarHBondContact O-N 2.94Å; E607-T611 PolarHBondContact O-OG1 2.86Å; E608-T611 WeakPolarHBondContact O-CB 3.38Å; E608-T611 PolarHBondContact O-N 2.79Å; I609-T611 VanDerWaalsContact C-N 3.28Å; I609-T611 PolarHBondContact O-N 2.85Å; T611-F613 VanDerWaalsContact C-N 3.32Å; T611-F613 PolarHBondContact O-N 3.04Å; T611-V614 WeakPolarHBondContact O-CG2 3.27Å; T611-N615 WeakPolarHBondContact CG2-ND2 3.32Å; T611-N615 PolarHBondContact O-N 3.21Å; T611-N615 PolarHBondContact O-ND2 3.24Å
612	Q	95.8	Very high	94.4	Very high	52 Å²	52	43.7 Å²	43.7	24%	0.243	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-45.5	172.8	-67.9	-63.1	-32.7	0	0	110.7	F564 H567 I568 L571 E608 I609 V614 N615 Y616	F564-Q612 HydrophobicContact CE2-CB 4.11Å; F564-Q612 HydrophobicContact CZ-CB 4.36Å; H567-Q612 PolarHBondContact NE2-OE1 2.7Å; H567-Q612 VanDerWaalsContact NE2-OE1 3.07Å; I568-Q612 HydrophobicContact CG2-CB 4.12Å; L571-Q612 HydrophobicContact CD2-CG 4.42Å; E608-Q612 WeakPolarHBondContact O-CG 3.39Å; E608-Q612 PolarHBondContact O-N 2.92Å; E608-Q612 PolarHBondContact OE1-NE2 2.54Å; I609-Q612 PolarHBondContact O-N 3.33Å; Q612-V614 PolarHBondContact O-N 3.31Å; Q612-N615 PolarHBondContact O-N 3.07Å; Q612-Y616 VanDerWaalsContact O-CB 3.31Å; Q612-Y616 WeakPolarHBondContact O-CB 3.43Å; Q612-Y616 PolarHBondContact O-N 2.88Å
613	F	95.5	Very high	94.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-45.8	-178.1	-172.9	-110.4	0	0	0	113.1	I542 F564 I609 A610 T611 N615 Y616 H684 L713	I542-F613 HydrophobicContact CD1-CD1 4.12Å; I542-F613 HydrophobicContact CD1-CE1 3.38Å; I542-F613 HydrophobicContact CD1-CZ 3.94Å; F564-F613 AromaticContact CD1-CD2 3.62Å; F564-F613 HydrophobicContact CD1-CD2 3.62Å; F564-F613 HydrophobicContact CD1-CE2 4.17Å; F564-F613 HydrophobicContact CD2-CD2 4.03Å; F564-F613 HydrophobicContact CE1-CB 4.1Å; F564-F613 AromaticContact CE1-CD2 3.54Å; F564-F613 HydrophobicContact CE1-CD2 3.54Å; F564-F613 HydrophobicContact CE1-CE2 4.43Å; F564-F613 HydrophobicContact CE1-CG 4.25Å; F564-F613 HydrophobicContact CE2-CB 3.89Å; F564-F613 AromaticContact CE2-CD2 3.97Å; F564-F613 HydrophobicContact CE2-CD2 3.97Å; F564-F613 HydrophobicContact CE2-CG 4.45Å; F564-F613 AromaticContact CG-CD2 3.87Å; F564-F613 HydrophobicContact CG-CD2 3.87Å; F564-F613 HydrophobicContact CG-CE2 4.4Å; F564-F613 HydrophobicContact CZ-CB 3.52Å; F564-F613 AromaticContact CZ-CD2 3.72Å; F564-F613 HydrophobicContact CZ-CD2 3.72Å; F564-F613 HydrophobicContact CZ-CG 4.11Å; I609-F613 WeakPolarHBondContact O-CB 3.43Å; I609-F613 PolarHBondContact O-N 3.22Å; A610-F613 PolarHBondContact O-N 3.36Å; T611-F613 VanDerWaalsContact C-N 3.32Å; T611-F613 PolarHBondContact O-N 3.04Å; F613-N615 VanDerWaalsContact C-N 3.33Å; F613-N615 PolarHBondContact O-N 2.88Å; F613-Y616 PolarHBondContact O-N 3.43Å; F613-H684 AromaticContact CE1-CE1 3.52Å; F613-H684 AromaticContact CZ-CE1 3.65Å; F613-L713 HydrophobicContact CE1-CD2 4.35Å
614	V	94.6	Very high	94.5	Very high	10 Å²	10	43.6 Å²	43.6	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-78.1	-14.8	-178.3	-59.4	0	0	0	0	114.5	A610 T611 Q612 L712 L713 K716 M717	A610-V614 PolarHBondContact O-N 2.85Å; A610-V614 VanDerWaalsContact O-N 3.15Å; T611-V614 WeakPolarHBondContact O-CG2 3.27Å; Q612-V614 PolarHBondContact O-N 3.31Å; V614-L712 HydrophobicContact CG1-CB 3.91Å; V614-L712 HydrophobicContact CG2-CB 4.13Å; V614-L712 HydrophobicContact CG2-CD2 4.23Å; V614-L713 HydrophobicContact CG1-CD2 4.02Å; V614-L713 HydrophobicContact CG1-CG 4.34Å; V614-K716 HydrophobicContact CB-CB 4.02Å; V614-K716 HydrophobicContact CB-CG 4.46Å; V614-K716 HydrophobicContact CG2-CB 4.1Å; V614-K716 HydrophobicContact CG2-CG 3.98Å; V614-M717 HydrophobicContact CB-CG 4.45Å; V614-M717 VanDerWaalsContact O-CE 3.3Å; V614-M717 WeakPolarHBondContact O-CE 3.4Å
615	N	94.1	Very high	94.4	Very high	88 Å²	88	41.7 Å²	41.7	47%	0.471	22%	0.217	S	C	.	.	H	α-helix	trans	-103.8	-2.8	176.4	-64.5	-57.1	0	0	0	112.6	T611 Q612 F613 Q617	T611-N615 WeakPolarHBondContact CG2-ND2 3.32Å; T611-N615 PolarHBondContact O-N 3.21Å; T611-N615 PolarHBondContact O-ND2 3.24Å; Q612-N615 PolarHBondContact O-N 3.07Å; F613-N615 VanDerWaalsContact C-N 3.33Å; F613-N615 PolarHBondContact O-N 2.88Å; N615-Q617 PolarHBondContact O-N 3.21Å
616	Y	95.1	Very high	94.3	Very high	21 Å²	21	42.4 Å²	42.4	8%	0.082	22%	0.22	C	C	.	.			trans	-68.3	129.7	-171.9	179.9	-124.7	0	0	0	112.4	Y560 L563 F564 H567 Q612 F613 P618	Y560-Y616 HydrophobicContact CD2-CE1 4.43Å; Y560-Y616 AromaticContact CE2-CD1 3.85Å; Y560-Y616 HydrophobicContact CE2-CD1 3.85Å; Y560-Y616 HydrophobicContact CE2-CE1 4.19Å; L563-Y616 VanDerWaalsContact C-OH 3.29Å; L563-Y616 HydrophobicContact CB-CE1 4.22Å; L563-Y616 WeakPolarHBondContact CB-OH 3.43Å; L563-Y616 PolarHBondContact O-OH 3.5Å; F564-Y616 HydrophobicContact CB-CD1 4.02Å; F564-Y616 HydrophobicContact CB-CE1 4.02Å; F564-Y616 AromaticContact CD2-CD1 3.81Å; F564-Y616 HydrophobicContact CD2-CD1 3.81Å; F564-Y616 HydrophobicContact CD2-CD2 4.42Å; F564-Y616 HydrophobicContact CD2-CE1 4.45Å; F564-Y616 AromaticContact CD2-CG 3.81Å; F564-Y616 HydrophobicContact CD2-CG 3.81Å; F564-Y616 HydrophobicContact CG-CD1 4.38Å; H567-Y616 HydrophobicContact CB-CD2 3.98Å; H567-Y616 HydrophobicContact CB-CE2 3.41Å; H567-Y616 VanDerWaalsContact CB-CE2 3.41Å; H567-Y616 AromaticContact CD2-CD2 3.68Å; H567-Y616 AromaticContact CD2-CE2 4Å; H567-Y616 AromaticContact CG-CD2 3.55Å; H567-Y616 AromaticContact CG-CE2 3.37Å; H567-Y616 AromaticContact ND1-CD2 3.85Å; H567-Y616 AromaticContact ND1-CE2 3.62Å; Q612-Y616 VanDerWaalsContact O-CB 3.31Å; Q612-Y616 WeakPolarHBondContact O-CB 3.43Å; Q612-Y616 PolarHBondContact O-N 2.88Å; F613-Y616 PolarHBondContact O-N 3.43Å; Y616-P618 HydrophobicContact CE1-CB 4.48Å; Y616-P618 HydrophobicContact CE1-CG 3.85Å
617	Q	93	Very high	94.2	Very high	166 Å²	166	45.5 Å²	45.5	78%	0.776	23%	0.232	S	C	*	.			trans	-123.2	119.6	168.8	-67.8	-172	-8.4	0	0	108.8	N615 A619	N615-Q617 PolarHBondContact O-N 3.21Å; Q617-A619 PolarHBondContact O-N 2.98Å
618	P	94	Very high	94	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.026	22%	0.221	C	C	.	.			trans	-55.1	132.8	176.9	-29.3	36.5	0	0	0	112.9	L563 Y616 Y673 L676 I677	L563-P618 HydrophobicContact CD1-CB 4.18Å; Y616-P618 HydrophobicContact CE1-CB 4.48Å; Y616-P618 HydrophobicContact CE1-CG 3.85Å; P618-Y673 HydrophobicContact CB-CE2 4.26Å; P618-Y673 WeakPolarHBondContact O-CE2 3.49Å; P618-Y673 PolarHBondContact O-OH 2.89Å; P618-L676 HydrophobicContact CB-CD2 4.12Å; P618-L676 HydrophobicContact CG-CD2 4.15Å; P618-I677 HydrophobicContact CB-CD1 4.36Å; P618-I677 HydrophobicContact CG-CD1 4.21Å
619	A	92.7	Very high	93.7	Very high	41 Å²	41	40.7 Å²	40.7	34%	0.339	21%	0.21	S	C	.	.			trans	-81.2	141	171	0	0	0	0	0	110.5	Q617 D621 R622 F623	Q617-A619 PolarHBondContact O-N 2.98Å; A619-D621 VanDerWaalsContact CB-OD1 3.23Å; A619-D621 WeakPolarHBondContact CB-OD1 3.45Å; A619-D621 PolarHBondContact O-N 2.85Å; A619-R622 HydrophobicContact CB-CB 4.36Å; A619-R622 HydrophobicContact CB-CG 4.22Å; A619-R622 PolarHBondContact O-N 3.41Å; A619-F623 WeakPolarHBondContact O-CB 3.32Å; A619-F623 PolarHBondContact O-N 3.14Å
620	T	93.3	Very high	93.5	Very high	72 Å²	72	41 Å²	41	44%	0.442	21%	0.212	S	C	.	.	H	α-helix	trans	-64.2	-40.1	-174.8	-52.6	0	0	0	0	112.7	F623 E624 Y673	T620-F623 WeakPolarHBondContact O-CB 3.32Å; T620-F623 PolarHBondContact O-N 2.91Å; T620-E624 WeakPolarHBondContact O-CG 3.38Å; T620-E624 PolarHBondContact O-N 2.99Å; T620-E624 VanDerWaalsContact O-N 3.09Å; T620-Y673 HydrophobicContact CG2-CD2 4.31Å; T620-Y673 HydrophobicContact CG2-CG 4.24Å
621	D	90.9	Very high	93.4	Very high	79 Å²	79	42.8 Å²	42.8	42%	0.422	22%	0.224	S	C	.	.	H	α-helix	trans	-65.9	-43.4	178.1	62	-32.7	0	0	0	112.6	A619 E624 C625	A619-D621 VanDerWaalsContact CB-OD1 3.23Å; A619-D621 WeakPolarHBondContact CB-OD1 3.45Å; A619-D621 PolarHBondContact O-N 2.85Å; D621-E624 PolarHBondContact O-N 2.85Å; D621-C625 PolarHBondContact O-N 2.95Å; D621-C625 VanDerWaalsContact O-N 3.17Å; D621-C625 PolarHBondContact O-SG 3.13Å
622	R	93.2	Very high	93.1	Very high	24 Å²	24	41.3 Å²	41.3	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-39.4	174.8	-61.6	-52.9	-59.1	158.5	2.6	111.7	L563 D566 A619 E624 C625 I626	L563-R622 HydrophobicContact CD2-CB 3.95Å; D566-R622 IonicContact OD1-CZ 3.58Å; D566-R622 IonicContact OD1-NH2 3.33Å; D566-R622 PolarHBondContact OD1-NH2 2.8Å; D566-R622 IonicContact OD2-CZ 3.63Å; D566-R622 VanDerWaalsContact OD2-CZ 3.22Å; D566-R622 IonicContact OD2-NE 3.48Å; D566-R622 PolarHBondContact OD2-NE 3.43Å; D566-R622 IonicContact OD2-NH2 3.36Å; D566-R622 PolarHBondContact OD2-NH2 2.8Å; A619-R622 HydrophobicContact CB-CB 4.36Å; A619-R622 HydrophobicContact CB-CG 4.22Å; A619-R622 PolarHBondContact O-N 3.41Å; R622-E624 VanDerWaalsContact C-N 3.33Å; R622-E624 PolarHBondContact O-N 3.03Å; R622-C625 PolarHBondContact O-N 2.88Å; R622-I626 WeakPolarHBondContact O-CG1 3.47Å; R622-I626 PolarHBondContact O-N 3.31Å
623	F	95.3	Very high	92.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54.9	-48.3	172.8	162.8	-99.8	0	0	0	111.7	I559 L563 A619 T620 C625 I626 R627 I671 Y673 L676	I559-F623 HydrophobicContact CG2-CD2 4.02Å; I559-F623 HydrophobicContact CG2-CE2 4.21Å; L563-F623 HydrophobicContact CD1-CB 4.26Å; L563-F623 HydrophobicContact CD1-CD2 4.2Å; A619-F623 WeakPolarHBondContact O-CB 3.32Å; A619-F623 PolarHBondContact O-N 3.14Å; T620-F623 WeakPolarHBondContact O-CB 3.32Å; T620-F623 PolarHBondContact O-N 2.91Å; F623-C625 PolarHBondContact O-N 2.82Å; F623-I626 PolarHBondContact O-N 2.95Å; F623-R627 HydrophobicContact CE2-CB 4.41Å; F623-R627 WeakPolarHBondContact O-CB 3.46Å; F623-R627 PolarHBondContact O-N 2.96Å; F623-I671 HydrophobicContact CE2-CG2 3.86Å; F623-I671 HydrophobicContact CZ-CG2 3.89Å; F623-Y673 HydrophobicContact CB-CD2 3.93Å; F623-Y673 HydrophobicContact CB-CE2 4.5Å; F623-Y673 AromaticContact CD1-CD2 3.98Å; F623-Y673 HydrophobicContact CD1-CD2 3.98Å; F623-Y673 HydrophobicContact CD1-CG 4.37Å; F623-Y673 VanDerWaalsContact CE1-N 3.32Å; F623-Y673 AromaticContact CG-CD2 3.9Å; F623-Y673 HydrophobicContact CG-CD2 3.9Å; F623-Y673 VanDerWaalsContact CZ-N 3.29Å; F623-L676 HydrophobicContact CD2-CD2 3.49Å; F623-L676 VanDerWaalsContact CD2-CD2 3.49Å; F623-L676 HydrophobicContact CE2-CB 4.27Å; F623-L676 HydrophobicContact CE2-CD2 3.94Å; F623-L676 HydrophobicContact CG-CD2 4.38Å
624	E	93	Very high	92.5	Very high	77 Å²	77	45 Å²	45	36%	0.36	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-44.7	179.2	-70.8	-61.4	154.4	0	0	111.8	T620 D621 R622 R627 E628	T620-E624 WeakPolarHBondContact O-CG 3.38Å; T620-E624 PolarHBondContact O-N 2.99Å; T620-E624 VanDerWaalsContact O-N 3.09Å; D621-E624 PolarHBondContact O-N 2.85Å; R622-E624 VanDerWaalsContact C-N 3.33Å; R622-E624 PolarHBondContact O-N 3.03Å; E624-R627 IonicContact OE1-CZ 2.62Å; E624-R627 IonicContact OE1-NH2 3.83Å; E624-R627 IonicContact OE2-CZ 3.57Å; E624-R627 VanDerWaalsContact OE2-CZ 3.29Å; E624-R627 IonicContact OE2-NE 3.34Å; E624-R627 IonicContact OE2-NH2 2.72Å; E624-R627 PolarHBondContact OE2-NH2 3.04Å; E624-E628 WeakPolarHBondContact O-CB 2.95Å; E624-E628 PolarHBondContact O-N 2.82Å
625	C	91.9	Very high	92.3	Very high	18 Å²	18	46.9 Å²	46.9	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-48.2	179.1	-62.6	0	0	0	0	112.5	T343 D621 R622 F623 N629	T343-C625 HydrophobicContact CG2-CB 4.3Å; D621-C625 PolarHBondContact O-N 2.95Å; D621-C625 VanDerWaalsContact O-N 3.17Å; D621-C625 PolarHBondContact O-SG 3.13Å; R622-C625 PolarHBondContact O-N 2.88Å; F623-C625 PolarHBondContact O-N 2.82Å; C625-N629 WeakPolarHBondContact O-CB 3.29Å; C625-N629 PolarHBondContact O-N 2.85Å
626	I	92.5	Very high	92	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-70.5	-42.4	-177.8	-66	-171.7	0	0	0	111	N562 L563 D566 R622 F623 E628 N629 M630	N562-I626 HydrophobicContact CB-CG2 3.91Å; L563-I626 HydrophobicContact CB-CD1 4.46Å; L563-I626 HydrophobicContact CD2-CB 4.27Å; L563-I626 HydrophobicContact CD2-CD1 3.55Å; L563-I626 HydrophobicContact CD2-CG1 4.16Å; L563-I626 HydrophobicContact CG-CB 4.46Å; L563-I626 HydrophobicContact CG-CD1 3.91Å; D566-I626 HydrophobicContact CB-CD1 3.67Å; R622-I626 WeakPolarHBondContact O-CG1 3.47Å; R622-I626 PolarHBondContact O-N 3.31Å; F623-I626 PolarHBondContact O-N 2.95Å; I626-E628 VanDerWaalsContact C-N 3.31Å; I626-E628 PolarHBondContact O-N 2.74Å; I626-N629 PolarHBondContact O-N 3.34Å; I626-M630 HydrophobicContact CG2-CG 4.14Å; I626-M630 HydrophobicContact CG2-SD 3.66Å; I626-M630 WeakPolarHBondContact O-CB 3.4Å; I626-M630 VanDerWaalsContact O-CG 3.24Å; I626-M630 WeakPolarHBondContact O-CG 3.48Å; I626-M630 PolarHBondContact O-N 2.98Å
627	R	94.4	Very high	91.6	Very high	65 Å²	65	44 Å²	44	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-45.4	176.3	-178.7	-171.1	68.5	157	2.6	111.3	I559 F623 E624 S631 F668 I671	I559-R627 HydrophobicContact CD1-CB 4.46Å; I559-R627 HydrophobicContact CD1-CG 4.26Å; F623-R627 HydrophobicContact CE2-CB 4.41Å; F623-R627 WeakPolarHBondContact O-CB 3.46Å; F623-R627 PolarHBondContact O-N 2.96Å; E624-R627 IonicContact OE1-CZ 2.62Å; E624-R627 IonicContact OE1-NH2 3.83Å; E624-R627 IonicContact OE2-CZ 3.57Å; E624-R627 VanDerWaalsContact OE2-CZ 3.29Å; E624-R627 IonicContact OE2-NE 3.34Å; E624-R627 IonicContact OE2-NH2 2.72Å; E624-R627 PolarHBondContact OE2-NH2 3.04Å; R627-S631 VanDerWaalsContact O-CB 3.3Å; R627-S631 WeakPolarHBondContact O-CB 3.2Å; R627-S631 PolarHBondContact O-N 3.3Å; R627-F668 HydrophobicContact CG-CD1 4.12Å; R627-F668 HydrophobicContact CG-CE1 4.42Å; R627-I671 PolarHBondContact NH1-O 2.88Å
628	E	91.3	Very high	91	Very high	49 Å²	49	38.9 Å²	38.9	23%	0.229	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-49.6	178.7	-170.7	-75.1	145.8	0	0	111.2	E624 I626 M630 S631 R632	E624-E628 WeakPolarHBondContact O-CB 2.95Å; E624-E628 PolarHBondContact O-N 2.82Å; I626-E628 VanDerWaalsContact C-N 3.31Å; I626-E628 PolarHBondContact O-N 2.74Å; E628-M630 PolarHBondContact O-N 2.86Å; E628-S631 WeakPolarHBondContact O-CB 3.49Å; E628-S631 PolarHBondContact O-N 3.13Å; E628-R632 VanDerWaalsContact CD-NE 3.26Å; E628-R632 PolarHBondContact O-N 2.76Å; E628-R632 VanDerWaalsContact O-N 3.08Å; E628-R632 WeakPolarHBondContact OE1-CD 3.18Å; E628-R632 IonicContact OE1-CZ 3.7Å; E628-R632 IonicContact OE1-NE 3.95Å; E628-R632 PolarHBondContact OE1-NE 2.69Å; E628-R632 IonicContact OE1-NH2 3.9Å; E628-R632 IonicContact OE2-CZ 3.21Å; E628-R632 IonicContact OE2-NE 2.76Å; E628-R632 PolarHBondContact OE2-NE 3.46Å; E628-R632 VanDerWaalsContact OE2-NE 3.15Å; E628-R632 IonicContact OE2-NH2 3.29Å; E628-R632 PolarHBondContact OE2-NH2 2.8Å
629	N	90	Very high	90.4	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-49	177.8	-178.7	57.1	0	0	0	112	C625 I626 S631 R632 E633	C625-N629 WeakPolarHBondContact O-CB 3.29Å; C625-N629 PolarHBondContact O-N 2.85Å; I626-N629 PolarHBondContact O-N 3.34Å; N629-S631 VanDerWaalsContact C-N 3.32Å; N629-S631 PolarHBondContact O-N 2.84Å; N629-R632 WeakPolarHBondContact O-CB 3.4Å; N629-R632 PolarHBondContact O-N 3.09Å; N629-E633 PolarHBondContact ND2-OE1 2.85Å; N629-E633 WeakPolarHBondContact O-CG 3.44Å; N629-E633 PolarHBondContact O-N 3.42Å
630	M	92.2	Very high	90	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-38.1	178.8	-68	179.6	82.5	0	0	112	L558 I559 N562 I626 E628 R632 E633 F634 F668	L558-M630 HydrophobicContact CB-CE 3.79Å; I559-M630 HydrophobicContact CG1-SD 3.79Å; N562-M630 HydrophobicContact CB-SD 4.22Å; I626-M630 HydrophobicContact CG2-CG 4.14Å; I626-M630 HydrophobicContact CG2-SD 3.66Å; I626-M630 WeakPolarHBondContact O-CB 3.4Å; I626-M630 VanDerWaalsContact O-CG 3.24Å; I626-M630 WeakPolarHBondContact O-CG 3.48Å; I626-M630 PolarHBondContact O-N 2.98Å; E628-M630 PolarHBondContact O-N 2.86Å; M630-R632 VanDerWaalsContact C-N 3.3Å; M630-R632 PolarHBondContact O-N 3.28Å; M630-E633 PolarHBondContact O-N 2.86Å; M630-F634 HydrophobicContact CB-CE2 4.43Å; M630-F634 WeakPolarHBondContact O-CD2 3.36Å; M630-F634 PolarHBondContact O-N 3.1Å; M630-F668 HydrophobicContact CB-CE1 3.62Å; M630-F668 HydrophobicContact CB-CZ 3.84Å; M630-F668 HydrophobicContact CE-CZ 4.32Å; M630-F668 HydrophobicContact SD-CZ 4.48Å
631	S	92.7	Very high	89.6	Confident	38 Å²	38	41.1 Å²	41.1	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-39.4	175.6	-172.7	0	0	0	0	112	R627 E628 N629 S635	R627-S631 VanDerWaalsContact O-CB 3.3Å; R627-S631 WeakPolarHBondContact O-CB 3.2Å; R627-S631 PolarHBondContact O-N 3.3Å; E628-S631 WeakPolarHBondContact O-CB 3.49Å; E628-S631 PolarHBondContact O-N 3.13Å; N629-S631 VanDerWaalsContact C-N 3.32Å; N629-S631 PolarHBondContact O-N 2.84Å; S631-S635 WeakPolarHBondContact O-CB 3.47Å; S631-S635 PolarHBondContact O-N 3.37Å; S631-S635 VanDerWaalsContact O-N 3.11Å; S631-S635 PolarHBondContact O-OG 3.42Å
632	R	90.3	Very high	89.5	Confident	13 Å²	13	37.4 Å²	37.4	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-65.9	-43.7	172.2	-74.5	-171.7	-73.8	151.7	-4.1	112	D272 H274 E628 N629 M630 F634 S635 N636	D272-R632 WeakPolarHBondContact OD2-CD 3.19Å; H274-R632 PolarHBondContact CD2-NH1 2.87Å; H274-R632 PolarHBondContact NE2-NH1 3.3Å; E628-R632 VanDerWaalsContact CD-NE 3.26Å; E628-R632 PolarHBondContact O-N 2.76Å; E628-R632 VanDerWaalsContact O-N 3.08Å; E628-R632 WeakPolarHBondContact OE1-CD 3.18Å; E628-R632 IonicContact OE1-CZ 3.7Å; E628-R632 IonicContact OE1-NE 3.95Å; E628-R632 PolarHBondContact OE1-NE 2.69Å; E628-R632 IonicContact OE1-NH2 3.9Å; E628-R632 IonicContact OE2-CZ 3.21Å; E628-R632 IonicContact OE2-NE 2.76Å; E628-R632 PolarHBondContact OE2-NE 3.46Å; E628-R632 VanDerWaalsContact OE2-NE 3.15Å; E628-R632 IonicContact OE2-NH2 3.29Å; E628-R632 PolarHBondContact OE2-NH2 2.8Å; N629-R632 WeakPolarHBondContact O-CB 3.4Å; N629-R632 PolarHBondContact O-N 3.09Å; M630-R632 VanDerWaalsContact C-N 3.3Å; M630-R632 PolarHBondContact O-N 3.28Å; R632-F634 VanDerWaalsContact C-N 3.35Å; R632-F634 PolarHBondContact O-N 3.33Å; R632-S635 WeakPolarHBondContact O-CB 3.21Å; R632-S635 PolarHBondContact O-N 3.16Å; R632-S635 VanDerWaalsContact O-N 3.09Å; R632-N636 WeakPolarHBondContact O-CB 3.3Å; R632-N636 VanDerWaalsContact O-CG 3.26Å; R632-N636 PolarHBondContact O-N 3.02Å; R632-N636 PolarHBondContact O-ND2 2.76Å
633	E	88.5	Confident	89.3	Confident	93 Å²	93	39 Å²	39	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-57.3	-44.2	177	-72.2	179.2	-174.7	0	0	112.5	N629 M630 N636 F637	N629-E633 PolarHBondContact ND2-OE1 2.85Å; N629-E633 WeakPolarHBondContact O-CG 3.44Å; N629-E633 PolarHBondContact O-N 3.42Å; M630-E633 PolarHBondContact O-N 2.86Å; E633-N636 PolarHBondContact O-N 3.23Å; E633-F637 PolarHBondContact O-N 3.33Å
634	F	90.5	Very high	89	Confident	40 Å²	40	42.9 Å²	42.9	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-37.2	174.4	-71.8	-63.1	0	0	0	112.6	L558 M630 R632 F637 S661 F664 V665 F668	L558-F634 HydrophobicContact CD1-CZ 4.07Å; M630-F634 HydrophobicContact CB-CE2 4.43Å; M630-F634 WeakPolarHBondContact O-CD2 3.36Å; M630-F634 PolarHBondContact O-N 3.1Å; R632-F634 VanDerWaalsContact C-N 3.35Å; R632-F634 PolarHBondContact O-N 3.33Å; F634-F637 VanDerWaalsContact O-CB 3.3Å; F634-F637 WeakPolarHBondContact O-CB 3.31Å; F634-F637 PolarHBondContact O-N 2.93Å; F634-S661 PolarHBondContact O-OG 2.88Å; F634-F664 HydrophobicContact CB-CB 4.32Å; F634-F664 HydrophobicContact CD1-CB 3.64Å; F634-F664 AromaticContact CD1-CD2 3.91Å; F634-F664 HydrophobicContact CD1-CD2 3.91Å; F634-F664 AromaticContact CD1-CG 3.9Å; F634-F664 HydrophobicContact CD1-CG 3.9Å; F634-F664 HydrophobicContact CD2-CB 3.99Å; F634-F664 HydrophobicContact CE1-CB 3.9Å; F634-F664 HydrophobicContact CE1-CD1 4.23Å; F634-F664 AromaticContact CE1-CD2 3.66Å; F634-F664 HydrophobicContact CE1-CD2 3.66Å; F634-F664 HydrophobicContact CE1-CE2 4.22Å; F634-F664 AromaticContact CE1-CG 3.66Å; F634-F664 HydrophobicContact CE1-CG 3.66Å; F634-F664 HydrophobicContact CE2-CB 4.25Å; F634-F664 HydrophobicContact CE2-CG 4.48Å; F634-F664 HydrophobicContact CG-CB 3.71Å; F634-F664 HydrophobicContact CG-CG 4.4Å; F634-F664 HydrophobicContact CZ-CB 4.2Å; F634-F664 HydrophobicContact CZ-CD1 4.15Å; F634-F664 HydrophobicContact CZ-CD2 4.38Å; F634-F664 AromaticContact CZ-CG 4Å; F634-F664 HydrophobicContact CZ-CG 4Å; F634-V665 HydrophobicContact CB-CG2 3.97Å; F634-F668 HydrophobicContact CD2-CD2 4.06Å; F634-F668 AromaticContact CD2-CE2 3.6Å; F634-F668 HydrophobicContact CD2-CE2 3.6Å; F634-F668 AromaticContact CD2-CZ 3.91Å; F634-F668 HydrophobicContact CD2-CZ 3.91Å; F634-F668 HydrophobicContact CE2-CD2 4.19Å; F634-F668 HydrophobicContact CE2-CE1 4.47Å; F634-F668 AromaticContact CE2-CE2 3.29Å; F634-F668 HydrophobicContact CE2-CE2 3.29Å; F634-F668 AromaticContact CE2-CZ 3.48Å; F634-F668 HydrophobicContact CE2-CZ 3.48Å; F634-F668 VanDerWaalsContact CE2-CZ 3.48Å; F634-F668 HydrophobicContact CZ-CE2 4.27Å
635	S	88.9	Confident	88.9	Confident	51 Å²	51	39.2 Å²	39.2	36%	0.357	20%	0.196	S	C	.	.	H	α-helix	trans	-68.4	-37.2	177.5	-57.9	0	0	0	0	111.9	S631 R632 F637 T638	S631-S635 WeakPolarHBondContact O-CB 3.47Å; S631-S635 PolarHBondContact O-N 3.37Å; S631-S635 VanDerWaalsContact O-N 3.11Å; S631-S635 PolarHBondContact O-OG 3.42Å; R632-S635 WeakPolarHBondContact O-CB 3.21Å; R632-S635 PolarHBondContact O-N 3.16Å; R632-S635 VanDerWaalsContact O-N 3.09Å; S635-F637 PolarHBondContact O-N 2.89Å; S635-T638 PolarHBondContact O-OG1 3.41Å; S635-T638 VanDerWaalsContact O-OG1 3.06Å
636	N	89	Confident	88.9	Confident	20 Å²	20	38.4 Å²	38.4	11%	0.107	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-70.3	-8.6	177.5	-72.7	-27.9	0	0	0	113.4	D272 R632 E633 T638 M639	D272-N636 PolarHBondContact N-ND2 3.35Å; D272-N636 PolarHBondContact N-OD1 3.28Å; D272-N636 PolarHBondContact O-ND2 3.22Å; R632-N636 WeakPolarHBondContact O-CB 3.3Å; R632-N636 VanDerWaalsContact O-CG 3.26Å; R632-N636 PolarHBondContact O-N 3.02Å; R632-N636 PolarHBondContact O-ND2 2.76Å; E633-N636 PolarHBondContact O-N 3.23Å; N636-T638 PolarHBondContact O-N 3.17Å; N636-T638 VanDerWaalsContact O-N 3.17Å; N636-M639 WeakPolarHBondContact O-CB 3.01Å; N636-M639 PolarHBondContact O-N 2.65Å
637	F	86.3	Confident	88.8	Confident	28 Å²	28	38.5 Å²	38.5	12%	0.123	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-54.1	-36.1	174.7	-179.9	-93	0	0	0	112.7	E633 F634 S635 M639 K640 Q645 A648 S661	E633-F637 PolarHBondContact O-N 3.33Å; F634-F637 VanDerWaalsContact O-CB 3.3Å; F634-F637 WeakPolarHBondContact O-CB 3.31Å; F634-F637 PolarHBondContact O-N 2.93Å; S635-F637 PolarHBondContact O-N 2.89Å; F637-M639 PolarHBondContact O-N 3.41Å; F637-K640 HydrophobicContact CD2-CD 3.94Å; F637-K640 HydrophobicContact CE2-CD 4.35Å; F637-K640 WeakPolarHBondContact O-CB 3.09Å; F637-K640 PolarHBondContact O-N 3.46Å; F637-Q645 HydrophobicContact CE1-CB 4.2Å; F637-Q645 HydrophobicContact CE1-CG 3.93Å; F637-Q645 HydrophobicContact CZ-CB 4.1Å; F637-Q645 HydrophobicContact CZ-CG 3.99Å; F637-A648 HydrophobicContact CE2-CB 4.04Å; F637-A648 HydrophobicContact CZ-CB 3.77Å; F637-S661 VanDerWaalsContact CB-OG 3.26Å; F637-S661 WeakPolarHBondContact CB-OG 3.42Å
638	T	80.1	Confident	88.6	Confident	58 Å²	58	37.1 Å²	37.1	36%	0.356	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-61.9	-23.6	177.8	56	0	0	0	0	113.5	S635 N636 Q645	S635-T638 PolarHBondContact O-OG1 3.41Å; S635-T638 VanDerWaalsContact O-OG1 3.06Å; N636-T638 PolarHBondContact O-N 3.17Å; N636-T638 VanDerWaalsContact O-N 3.17Å; T638-Q645 PolarHBondContact O-NE2 3.4Å
639	M	82.2	Confident	88.6	Confident	45 Å²	45	35.4 Å²	35.4	22%	0.222	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-94.5	0.6	177.8	-62.7	-60.9	-160.5	0	0	113.3	N271 N636 F637 Q776	N271-M639 VanDerWaalsContact OD1-CB 3.31Å; N271-M639 WeakPolarHBondContact OD1-CB 3.31Å; N636-M639 WeakPolarHBondContact O-CB 3.01Å; N636-M639 PolarHBondContact O-N 2.65Å; F637-M639 PolarHBondContact O-N 3.41Å; M639-Q776 PolarHBondContact O-NE2 2.89Å
640	K	84.1	Confident	88.7	Confident	93 Å²	93	34.2 Å²	34.2	40%	0.404	18%	0.183	S	C	.	.	S	Bend	trans	-68.5	152.8	171.8	-69.2	-171.8	178.1	-173.6	0	110.4	F637 Q645	F637-K640 HydrophobicContact CD2-CD 3.94Å; F637-K640 HydrophobicContact CE2-CD 4.35Å; F637-K640 WeakPolarHBondContact O-CB 3.09Å; F637-K640 PolarHBondContact O-N 3.46Å; K640-Q645 HydrophobicContact CB-CG 4.18Å; K640-Q645 PolarHBondContact O-NE2 2.8Å
641	P	84.5	Confident	88.6	Confident	26 Å²	26	36.5 Å²	36.5	17%	0.169	20%	0.197	C	C	.	.			trans	-53.7	142.2	174.6	-27.6	35.8	0	0	0	112.6	Y643 Q644 Q645	P641-Y643 HydrophobicContact CB-CD1 3.56Å; P641-Y643 HydrophobicContact CB-CE1 3.52Å; P641-Y643 HydrophobicContact CG-CE1 4.12Å; P641-Y643 PolarHBondContact O-N 3.23Å; P641-Y643 VanDerWaalsContact O-N 3.11Å; P641-Q644 PolarHBondContact O-N 3.31Å; P641-Q645 PolarHBondContact O-N 3.2Å
642	A	88.9	Confident	88.5	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-54.1	-36.8	-173.4	0	0	0	0	0	113.1	Q644 Q645 S646 I773 A778 A780 V948	A642-Q644 PolarHBondContact O-N 3.14Å; A642-Q645 PolarHBondContact O-N 3.36Å; A642-S646 PolarHBondContact O-N 3.31Å; A642-I773 HydrophobicContact CB-CD1 3.92Å; A642-A778 WeakPolarHBondContact CB-O 3.46Å; A642-A780 VanDerWaalsContact C-CB 3.44Å; A642-A780 HydrophobicContact CB-CB 3.64Å; A642-V948 HydrophobicContact CB-CB 4.29Å; A642-V948 HydrophobicContact CB-CG1 3.91Å
643	Y	89	Confident	88.5	Confident	58 Å²	58	34.6 Å²	34.6	23%	0.227	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-38.8	178.5	84.1	-85.1	0	0	0	112.8	P641 S646 G647 I822 L839	P641-Y643 HydrophobicContact CB-CD1 3.56Å; P641-Y643 HydrophobicContact CB-CE1 3.52Å; P641-Y643 HydrophobicContact CG-CE1 4.12Å; P641-Y643 PolarHBondContact O-N 3.23Å; P641-Y643 VanDerWaalsContact O-N 3.11Å; Y643-S646 PolarHBondContact O-N 3.06Å; Y643-S646 PolarHBondContact O-OG 3.39Å; Y643-G647 PolarHBondContact O-N 2.61Å; Y643-I822 HydrophobicContact CD1-CD1 3.38Å; Y643-I822 HydrophobicContact CD2-CD1 4.47Å; Y643-I822 HydrophobicContact CD2-CG2 4.46Å; Y643-I822 HydrophobicContact CE1-CD1 3.43Å; Y643-I822 VanDerWaalsContact CE1-CD1 3.43Å; Y643-I822 HydrophobicContact CG-CD1 3.94Å; Y643-I822 HydrophobicContact CG-CG2 4.42Å; Y643-L839 HydrophobicContact CD2-CD2 3.81Å; Y643-L839 HydrophobicContact CG-CD2 4.48Å
644	Q	88.6	Confident	88.6	Confident	82 Å²	82	30.1 Å²	30.1	38%	0.383	17%	0.165	S	C	.	.	H	α-helix	trans	-68.9	-40.9	178	-63	-172.3	1	0	0	111.1	P641 A642 S646 G647 A648	P641-Q644 PolarHBondContact O-N 3.31Å; A642-Q644 PolarHBondContact O-N 3.14Å; Q644-S646 VanDerWaalsContact C-N 3.33Å; Q644-S646 PolarHBondContact O-N 3.34Å; Q644-G647 PolarHBondContact O-N 3.38Å; Q644-A648 PolarHBondContact O-N 3.4Å
645	Q	90.4	Very high	88.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-42.6	177.1	-61.2	-168	46.5	0	0	111.2	F637 T638 K640 P641 A642 G647 A648 Y649 V948	F637-Q645 HydrophobicContact CE1-CB 4.2Å; F637-Q645 HydrophobicContact CE1-CG 3.93Å; F637-Q645 HydrophobicContact CZ-CB 4.1Å; F637-Q645 HydrophobicContact CZ-CG 3.99Å; T638-Q645 PolarHBondContact O-NE2 3.4Å; K640-Q645 HydrophobicContact CB-CG 4.18Å; K640-Q645 PolarHBondContact O-NE2 2.8Å; P641-Q645 PolarHBondContact O-N 3.2Å; A642-Q645 PolarHBondContact O-N 3.36Å; Q645-G647 VanDerWaalsContact C-N 3.31Å; Q645-G647 PolarHBondContact O-N 2.9Å; Q645-A648 PolarHBondContact O-N 3.48Å; Q645-Y649 HydrophobicContact CB-CD2 4.41Å; Q645-Y649 HydrophobicContact CB-CE2 4.03Å; Q645-Y649 WeakPolarHBondContact O-CD2 2.82Å; Q645-Y649 PolarHBondContact O-N 3Å; Q645-V948 HydrophobicContact CB-CG1 4.46Å; Q645-V948 HydrophobicContact CB-CG2 4.36Å
646	S	91.8	Very high	88.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-38.4	-179.3	75.2	0	0	0	0	113.2	A642 Y643 Q644 Y649 L650 L839	A642-S646 PolarHBondContact O-N 3.31Å; Y643-S646 PolarHBondContact O-N 3.06Å; Y643-S646 PolarHBondContact O-OG 3.39Å; Q644-S646 VanDerWaalsContact C-N 3.33Å; Q644-S646 PolarHBondContact O-N 3.34Å; S646-Y649 PolarHBondContact O-N 3.39Å; S646-L650 PolarHBondContact O-N 2.74Å; S646-L839 WeakPolarHBondContact OG-CD1 3.48Å
647	G	91	Very high	88.4	Confident	17 Å²	17	31.3 Å²	31.3	18%	0.175	17%	0.166	C	C	.	.	H	α-helix	trans	-70.4	-36.3	176.9	0	0	0	0	0	113.8	Y643 Q644 Q645 L650 T651	Y643-G647 PolarHBondContact O-N 2.61Å; Q644-G647 PolarHBondContact O-N 3.38Å; Q645-G647 VanDerWaalsContact C-N 3.31Å; Q645-G647 PolarHBondContact O-N 2.9Å; G647-L650 PolarHBondContact O-N 2.81Å; G647-T651 PolarHBondContact O-N 2.87Å; G647-T651 PolarHBondContact O-OG1 3.43Å
648	A	89.8	Confident	88.5	Confident	36 Å²	36	30.5 Å²	30.5	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-66.4	-41.5	174.1	0	0	0	0	0	111.7	F637 Q644 Q645 T651 S652	F637-A648 HydrophobicContact CE2-CB 4.04Å; F637-A648 HydrophobicContact CZ-CB 3.77Å; Q644-A648 PolarHBondContact O-N 3.4Å; Q645-A648 PolarHBondContact O-N 3.48Å; A648-T651 PolarHBondContact O-N 2.91Å; A648-S652 WeakPolarHBondContact O-CB 3.5Å; A648-S652 PolarHBondContact O-N 3.22Å; A648-S652 PolarHBondContact O-OG 2.91Å
649	Y	92	Very high	88.9	Confident	13 Å²	13	30.5 Å²	30.5	5%	0.051	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-42.4	174	-69	-49.6	0	0	0	112.3	Q645 S646 T651 S652 L653 Y769 R771 V946 V948	Q645-Y649 HydrophobicContact CB-CD2 4.41Å; Q645-Y649 HydrophobicContact CB-CE2 4.03Å; Q645-Y649 WeakPolarHBondContact O-CD2 2.82Å; Q645-Y649 PolarHBondContact O-N 3Å; S646-Y649 PolarHBondContact O-N 3.39Å; Y649-T651 VanDerWaalsContact C-N 3.32Å; Y649-T651 PolarHBondContact O-N 3Å; Y649-S652 CarbonylContact O-C 3.55Å; Y649-S652 WeakPolarHBondContact O-CB 3.4Å; Y649-S652 PolarHBondContact O-N 3.26Å; Y649-S652 VanDerWaalsContact O-N 3.13Å; Y649-L653 WeakPolarHBondContact O-CG 3.32Å; Y649-L653 PolarHBondContact O-N 2.67Å; Y649-Y769 AromaticContact CD1-CE1 3.94Å; Y649-Y769 HydrophobicContact CD1-CE1 3.94Å; Y649-Y769 HydrophobicContact CD2-CE1 4.36Å; Y649-Y769 HydrophobicContact CG-CD1 4.49Å; Y649-Y769 AromaticContact CG-CE1 3.84Å; Y649-Y769 HydrophobicContact CG-CE1 3.84Å; Y649-R771 HydrophobicContact CE2-CB 4.08Å; Y649-R771 HydrophobicContact CE2-CG 4.07Å; Y649-V946 HydrophobicContact CD2-CG1 4.5Å; Y649-V948 HydrophobicContact CD2-CG2 3.98Å; Y649-V948 HydrophobicContact CE2-CG2 4.19Å
650	L	92.1	Very high	89.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-48.2	174.3	179.3	71.1	0	0	0	111.2	S646 G647 S652 L653 I654 Y782 Y784 L944 V946	S646-L650 PolarHBondContact O-N 2.74Å; G647-L650 PolarHBondContact O-N 2.81Å; L650-S652 PolarHBondContact O-N 2.95Å; L650-L653 WeakPolarHBondContact O-CB 2.92Å; L650-L653 PolarHBondContact O-N 3.19Å; L650-I654 HydrophobicContact CD1-CG2 4.16Å; L650-I654 WeakPolarHBondContact O-CG1 3.29Å; L650-I654 PolarHBondContact O-N 2.96Å; L650-I654 VanDerWaalsContact O-N 3.11Å; L650-Y782 HydrophobicContact CD2-CD1 3.46Å; L650-Y782 VanDerWaalsContact CD2-CD1 3.46Å; L650-Y782 HydrophobicContact CD2-CE1 3.09Å; L650-Y782 HydrophobicContact CD2-CE2 4.33Å; L650-Y782 HydrophobicContact CD2-CG 4.2Å; L650-Y782 HydrophobicContact CG-CD1 4.47Å; L650-Y782 HydrophobicContact CG-CE1 4.41Å; L650-Y784 HydrophobicContact CD1-CD1 4.09Å; L650-Y784 HydrophobicContact CD1-CG 4.22Å; L650-Y784 HydrophobicContact CD2-CD1 4.49Å; L650-Y784 HydrophobicContact CD2-CD2 4.31Å; L650-Y784 HydrophobicContact CD2-CG 4.02Å; L650-L944 HydrophobicContact CD1-CD2 3.55Å; L650-L944 HydrophobicContact CD1-CG 4.08Å; L650-V946 HydrophobicContact CB-CG2 4.09Å; L650-V946 HydrophobicContact CD1-CG2 4.25Å
651	T	90.6	Very high	89.6	Confident	55 Å²	55	25.5 Å²	25.5	34%	0.337	14%	0.137	S	C	.	.	H	α-helix	trans	-58.9	-41.2	178.2	-58.1	0	0	0	0	110.5	G647 A648 Y649 L653 I654 S655 R828	G647-T651 PolarHBondContact O-N 2.87Å; G647-T651 PolarHBondContact O-OG1 3.43Å; A648-T651 PolarHBondContact O-N 2.91Å; Y649-T651 VanDerWaalsContact C-N 3.32Å; Y649-T651 PolarHBondContact O-N 3Å; T651-L653 VanDerWaalsContact C-N 3.28Å; T651-L653 PolarHBondContact O-N 2.98Å; T651-I654 PolarHBondContact O-N 2.93Å; T651-S655 WeakPolarHBondContact O-CB 3.21Å; T651-S655 PolarHBondContact O-N 3.14Å; T651-S655 VanDerWaalsContact O-N 3.07Å; T651-S655 PolarHBondContact O-OG 3.35Å; T651-R828 PolarHBondContact OG1-NH2 3.22Å
652	S	90	Very high	89.8	Confident	10 Å²	10	27 Å²	27	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-23.2	177.2	-55.1	0	0	0	0	114	A648 Y649 L650 S658 I660 K977	A648-S652 WeakPolarHBondContact O-CB 3.5Å; A648-S652 PolarHBondContact O-N 3.22Å; A648-S652 PolarHBondContact O-OG 2.91Å; Y649-S652 CarbonylContact O-C 3.55Å; Y649-S652 WeakPolarHBondContact O-CB 3.4Å; Y649-S652 PolarHBondContact O-N 3.26Å; Y649-S652 VanDerWaalsContact O-N 3.13Å; L650-S652 PolarHBondContact O-N 2.95Å; S652-S658 VanDerWaalsContact CA-OG 3.23Å; S652-S658 WeakPolarHBondContact CA-OG 3.38Å; S652-S658 PolarHBondContact O-OG 3.48Å; S652-S658 VanDerWaalsContact O-OG 3.08Å; S652-I660 WeakPolarHBondContact OG-CG2 3.49Å; S652-K977 WeakPolarHBondContact O-CE 3.5Å; S652-K977 PolarHBondContact O-NZ 3.26Å
653	L	90.9	Very high	90	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-80.4	-39.4	176.6	-76.6	157.9	0	0	0	112.3	Y649 L650 T651 Y769 L944 V946 L970	Y649-L653 WeakPolarHBondContact O-CG 3.32Å; Y649-L653 PolarHBondContact O-N 2.67Å; L650-L653 WeakPolarHBondContact O-CB 2.92Å; L650-L653 PolarHBondContact O-N 3.19Å; T651-L653 VanDerWaalsContact C-N 3.28Å; T651-L653 PolarHBondContact O-N 2.98Å; L653-Y769 HydrophobicContact CD1-CD1 3.95Å; L653-Y769 HydrophobicContact CD1-CG 3.86Å; L653-Y769 HydrophobicContact CD2-CD2 4.37Å; L653-Y769 HydrophobicContact CD2-CG 4.27Å; L653-L944 HydrophobicContact CB-CD2 4.21Å; L653-L944 HydrophobicContact CD1-CD2 4.38Å; L653-V946 HydrophobicContact CD1-CG2 3.61Å; L653-L970 HydrophobicContact CD2-CD1 3.76Å
654	I	90.6	Very high	90.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-94.5	-27	-170.7	70.2	179.4	0	0	0	113.9	L650 T651 E732 V733 L944	L650-I654 HydrophobicContact CD1-CG2 4.16Å; L650-I654 WeakPolarHBondContact O-CG1 3.29Å; L650-I654 PolarHBondContact O-N 2.96Å; L650-I654 VanDerWaalsContact O-N 3.11Å; T651-I654 PolarHBondContact O-N 2.93Å; I654-E732 CarbonylContact O-C 3.48Å; I654-E732 WeakPolarHBondContact O-CA 3.28Å; I654-V733 PolarHBondContact O-N 3.35Å; I654-L944 HydrophobicContact CG2-CD2 3.82Å
655	S	89.9	Confident	90.4	Very high	12 Å²	12	23.5 Å²	23.5	8%	0.084	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-77.3	136.7	178.1	-62.9	0	0	0	0	111	T651 H657 K977	T651-S655 WeakPolarHBondContact O-CB 3.21Å; T651-S655 PolarHBondContact O-N 3.14Å; T651-S655 VanDerWaalsContact O-N 3.07Å; T651-S655 PolarHBondContact O-OG 3.35Å; S655-H657 VanDerWaalsContact C-N 3.28Å; S655-H657 PolarHBondContact O-N 2.94Å; S655-K977 WeakPolarHBondContact O-CD 3.38Å; S655-K977 WeakPolarHBondContact O-CE 3.39Å; S655-K977 PolarHBondContact O-NZ 2.88Å
656	D	87.4	Confident	90.5	Very high	22 Å²	22	30.8 Å²	30.8	12%	0.118	16%	0.16	C	C	.	.	S	Bend	trans	-55.6	-41.1	178.1	60.4	-7.8	0	0	0	113.3	S730 R731 L982	D656-S730 WeakPolarHBondContact OD1-CA 3.26Å; D656-R731 HydrophobicContact CB-CB 4.21Å; D656-R731 PolarHBondContact N-O 3.42Å; D656-R731 PolarHBondContact OD1-N 3Å; D656-R731 WeakPolarHBondContact OD2-CB 3.2Å; D656-R731 PolarHBondContact OD2-N 2.68Å; D656-L982 HydrophobicContact CB-CD1 3.84Å; D656-L982 HydrophobicContact CB-CD2 4.03Å
657	H	85.8	Confident	90.7	Very high	101 Å²	101	31.1 Å²	31.1	47%	0.468	16%	0.162	S	C	.	.	S	Bend	trans	-123.3	125.9	175.6	-59	-68.9	0	0	0	110.4	F548 S655	F548-H657 HydrophobicContact CE1-CB 4.5Å; S655-H657 VanDerWaalsContact C-N 3.28Å; S655-H657 PolarHBondContact O-N 2.94Å
658	S	88	Confident	90.8	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.084	16%	0.155	C	C	.	.			trans	-163.2	149.3	178	67.3	0	0	0	0	110.3	S652 K977	S652-S658 VanDerWaalsContact CA-OG 3.23Å; S652-S658 WeakPolarHBondContact CA-OG 3.38Å; S652-S658 PolarHBondContact O-OG 3.48Å; S652-S658 VanDerWaalsContact O-OG 3.08Å; S658-K977 PolarHBondContact OG-NZ 2.81Å
659	W	89.8	Confident	90.9	Very high	57 Å²	57	37 Å²	37	22%	0.216	18%	0.176	C	C	.	.			trans	-118.5	136.2	175.8	-42.5	122.6	0	0	0	109.6	F548 D550 P551 T554 D663 F664	F548-W659 AromaticContact CD1-NE1 3.71Å; F548-W659 AromaticContact CD2-NE1 3.81Å; F548-W659 AromaticContact CE1-CD1 3.96Å; F548-W659 AromaticContact CE1-NE1 3.57Å; F548-W659 AromaticContact CE2-CD1 3.51Å; F548-W659 AromaticContact CE2-NE1 3.66Å; F548-W659 AromaticContact CG-NE1 3.83Å; F548-W659 AromaticContact CZ-CD1 3.45Å; F548-W659 VanDerWaalsContact CZ-CD1 3.45Å; F548-W659 HydrophobicContact CZ-CG 4.33Å; F548-W659 AromaticContact CZ-NE1 3.54Å; D550-W659 VanDerWaalsContact CA-CZ2 3.49Å; P551-W659 HydrophobicContact CG-CB 4.46Å; P551-W659 HydrophobicContact CG-CD2 3.7Å; P551-W659 HydrophobicContact CG-CE3 3.53Å; P551-W659 HydrophobicContact CG-CG 4.1Å; P551-W659 HydrophobicContact CG-CZ3 4.04Å; T554-W659 PolarHBondContact OG1-NE1 3.19Å; T554-W659 VanDerWaalsContact OG1-NE1 3.13Å; W659-D663 HydrophobicContact CB-CB 4.29Å; W659-F664 HydrophobicContact CB-CD2 4.44Å; W659-F664 HydrophobicContact CB-CE1 4.4Å; W659-F664 HydrophobicContact CB-CE2 3.69Å; W659-F664 HydrophobicContact CB-CZ 3.67Å; W659-F664 AromaticContact CD1-CZ 3.97Å; W659-F664 HydrophobicContact CG-CZ 4.21Å
660	I	90	Very high	91.1	Very high	18 Å²	18	41.5 Å²	41.5	9%	0.092	20%	0.198	C	C	.	.			trans	-91.8	166.4	174.3	58.8	164.1	0	0	0	110.6	S652 D662 D663 F664 Y973	S652-I660 WeakPolarHBondContact OG-CG2 3.49Å; I660-D662 HydrophobicContact CD1-CB 3.95Å; I660-D662 HydrophobicContact CG1-CB 4.27Å; I660-D662 PolarHBondContact O-N 2.66Å; I660-D663 WeakPolarHBondContact CG1-OD2 3.19Å; I660-D663 PolarHBondContact N-OD2 3.05Å; I660-D663 VanDerWaalsContact O-CB 3.32Å; I660-D663 WeakPolarHBondContact O-CB 3.44Å; I660-D663 PolarHBondContact O-N 2.74Å; I660-F664 WeakPolarHBondContact O-CD2 3.41Å; I660-F664 PolarHBondContact O-N 3.45Å; I660-Y973 HydrophobicContact CD1-CD1 3.83Å; I660-Y973 HydrophobicContact CD1-CE1 3.54Å; I660-Y973 HydrophobicContact CG1-CD1 4.32Å; I660-Y973 HydrophobicContact CG1-CE1 3.72Å; I660-Y973 HydrophobicContact CG2-CD1 4.19Å; I660-Y973 HydrophobicContact CG2-CD2 4.34Å; I660-Y973 HydrophobicContact CG2-CE1 4.18Å; I660-Y973 HydrophobicContact CG2-CE2 4.36Å; I660-Y973 HydrophobicContact CG2-CG 4.26Å
661	S	89.6	Confident	91.2	Very high	15 Å²	15	41.5 Å²	41.5	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-54.4	-38.4	-179.7	-143.1	0	0	0	0	113.1	F634 F637 D663 F664 V665	F634-S661 PolarHBondContact O-OG 2.88Å; F637-S661 VanDerWaalsContact CB-OG 3.26Å; F637-S661 WeakPolarHBondContact CB-OG 3.42Å; S661-D663 PolarHBondContact O-N 3Å; S661-F664 PolarHBondContact O-N 3.44Å; S661-F664 VanDerWaalsContact O-N 3.13Å; S661-V665 WeakPolarHBondContact O-CG2 3.32Å; S661-V665 PolarHBondContact O-N 2.81Å
662	D	89	Confident	91.5	Very high	59 Å²	59	41.7 Å²	41.7	32%	0.316	20%	0.199	S	C	.	.	H	α-helix	trans	-62.3	-28.6	178	-65	-6.2	0	0	0	112.6	I660 R666 R771	I660-D662 HydrophobicContact CD1-CB 3.95Å; I660-D662 HydrophobicContact CG1-CB 4.27Å; I660-D662 PolarHBondContact O-N 2.66Å; D662-R666 WeakPolarHBondContact O-CG 3.35Å; D662-R666 PolarHBondContact O-N 3.15Å; D662-R666 PolarHBondContact O-NE 3.01Å; D662-R771 IonicContact OD2-NH2 3.29Å
663	D	92.8	Very high	91.9	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.059	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-43	175.1	-61	-37.2	0	0	0	110.9	P551 W659 I660 S661 R666 A667 Y973	P551-D663 HydrophobicContact CB-CB 3.95Å; P551-D663 HydrophobicContact CG-CB 3.79Å; W659-D663 HydrophobicContact CB-CB 4.29Å; I660-D663 WeakPolarHBondContact CG1-OD2 3.19Å; I660-D663 PolarHBondContact N-OD2 3.05Å; I660-D663 VanDerWaalsContact O-CB 3.32Å; I660-D663 WeakPolarHBondContact O-CB 3.44Å; I660-D663 PolarHBondContact O-N 2.74Å; S661-D663 PolarHBondContact O-N 3Å; D663-R666 PolarHBondContact O-N 2.82Å; D663-R666 IonicContact OD1-CZ 2.7Å; D663-R666 IonicContact OD1-NH2 2.75Å; D663-R666 PolarHBondContact OD1-NH2 3.22Å; D663-A667 WeakPolarHBondContact O-CB 3.33Å; D663-A667 PolarHBondContact O-N 3.15Å; D663-Y973 PolarHBondContact OD2-OH 2.87Å
664	F	93.8	Very high	92.1	Very high	21 Å²	21	52 Å²	52	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-46	174.8	-65.7	-68.9	0	0	0	111.6	T554 S555 L558 F634 W659 I660 S661 R666 A667 F668	T554-F664 HydrophobicContact CG2-CE1 3.75Å; T554-F664 HydrophobicContact CG2-CZ 4.1Å; S555-F664 WeakPolarHBondContact OG-CD1 3.36Å; L558-F664 HydrophobicContact CD1-CD1 4.47Å; L558-F664 HydrophobicContact CD1-CE1 3.96Å; F634-F664 HydrophobicContact CB-CB 4.32Å; F634-F664 HydrophobicContact CD1-CB 3.64Å; F634-F664 AromaticContact CD1-CD2 3.91Å; F634-F664 HydrophobicContact CD1-CD2 3.91Å; F634-F664 AromaticContact CD1-CG 3.9Å; F634-F664 HydrophobicContact CD1-CG 3.9Å; F634-F664 HydrophobicContact CD2-CB 3.99Å; F634-F664 HydrophobicContact CE1-CB 3.9Å; F634-F664 HydrophobicContact CE1-CD1 4.23Å; F634-F664 AromaticContact CE1-CD2 3.66Å; F634-F664 HydrophobicContact CE1-CD2 3.66Å; F634-F664 HydrophobicContact CE1-CE2 4.22Å; F634-F664 AromaticContact CE1-CG 3.66Å; F634-F664 HydrophobicContact CE1-CG 3.66Å; F634-F664 HydrophobicContact CE2-CB 4.25Å; F634-F664 HydrophobicContact CE2-CG 4.48Å; F634-F664 HydrophobicContact CG-CB 3.71Å; F634-F664 HydrophobicContact CG-CG 4.4Å; F634-F664 HydrophobicContact CZ-CB 4.2Å; F634-F664 HydrophobicContact CZ-CD1 4.15Å; F634-F664 HydrophobicContact CZ-CD2 4.38Å; F634-F664 AromaticContact CZ-CG 4Å; F634-F664 HydrophobicContact CZ-CG 4Å; W659-F664 HydrophobicContact CB-CD2 4.44Å; W659-F664 HydrophobicContact CB-CE1 4.4Å; W659-F664 HydrophobicContact CB-CE2 3.69Å; W659-F664 HydrophobicContact CB-CZ 3.67Å; W659-F664 AromaticContact CD1-CZ 3.97Å; W659-F664 HydrophobicContact CG-CZ 4.21Å; I660-F664 WeakPolarHBondContact O-CD2 3.41Å; I660-F664 PolarHBondContact O-N 3.45Å; S661-F664 PolarHBondContact O-N 3.44Å; S661-F664 VanDerWaalsContact O-N 3.13Å; F664-R666 PolarHBondContact O-N 2.58Å; F664-A667 PolarHBondContact O-N 3.08Å; F664-A667 VanDerWaalsContact O-N 3.1Å; F664-F668 HydrophobicContact CB-CD2 4.38Å; F664-F668 WeakPolarHBondContact O-CB 3.5Å; F664-F668 VanDerWaalsContact O-CD2 3.25Å; F664-F668 WeakPolarHBondContact O-CD2 3.09Å; F664-F668 PolarHBondContact O-N 2.83Å
665	V	92.4	Very high	92.4	Very high	34 Å²	34	57.3 Å²	57.3	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-34.8	176.9	172.3	0	0	0	0	111.7	F634 S661 K669	F634-V665 HydrophobicContact CB-CG2 3.97Å; S661-V665 WeakPolarHBondContact O-CG2 3.32Å; S661-V665 PolarHBondContact O-N 2.81Å; V665-K669 WeakPolarHBondContact O-CG 3.34Å
666	R	94	Very high	92.8	Very high	154 Å²	154	56.8 Å²	56.8	58%	0.581	26%	0.26	S	S	*	.	H	α-helix	trans	-72.7	-49.1	173.4	-73	-176.1	-69.6	-178.1	0.9	112	D662 D663 F664 F668 K669	D662-R666 WeakPolarHBondContact O-CG 3.35Å; D662-R666 PolarHBondContact O-N 3.15Å; D662-R666 PolarHBondContact O-NE 3.01Å; D663-R666 PolarHBondContact O-N 2.82Å; D663-R666 IonicContact OD1-CZ 2.7Å; D663-R666 IonicContact OD1-NH2 2.75Å; D663-R666 PolarHBondContact OD1-NH2 3.22Å; F664-R666 PolarHBondContact O-N 2.58Å; R666-F668 VanDerWaalsContact C-N 3.34Å; R666-F668 PolarHBondContact O-N 3.13Å; R666-K669 WeakPolarHBondContact O-CB 3.42Å; R666-K669 PolarHBondContact O-N 2.92Å
667	A	95	Very high	93.2	Very high	7 Å²	7	58 Å²	58	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-43	-179.5	0	0	0	0	0	112.6	P551 D663 F664 K669 E670 I671	P551-A667 HydrophobicContact CB-CB 4.1Å; D663-A667 WeakPolarHBondContact O-CB 3.33Å; D663-A667 PolarHBondContact O-N 3.15Å; F664-A667 PolarHBondContact O-N 3.08Å; F664-A667 VanDerWaalsContact O-N 3.1Å; A667-K669 PolarHBondContact O-N 3.43Å; A667-E670 PolarHBondContact O-N 2.86Å; A667-I671 PolarHBondContact O-N 3.37Å
668	F	93.5	Very high	93.7	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-27	-178.9	-92.6	-104.3	0	0	0	113.6	S555 I559 R627 M630 F634 F664 R666 E670 I671	S555-F668 WeakPolarHBondContact OG-CE2 3.46Å; I559-F668 HydrophobicContact CD1-CD1 4.32Å; I559-F668 HydrophobicContact CD1-CE1 3.64Å; I559-F668 HydrophobicContact CD1-CZ 3.94Å; I559-F668 HydrophobicContact CG1-CE1 3.96Å; I559-F668 HydrophobicContact CG1-CZ 4Å; R627-F668 HydrophobicContact CG-CD1 4.12Å; R627-F668 HydrophobicContact CG-CE1 4.42Å; M630-F668 HydrophobicContact CB-CE1 3.62Å; M630-F668 HydrophobicContact CB-CZ 3.84Å; M630-F668 HydrophobicContact CE-CZ 4.32Å; M630-F668 HydrophobicContact SD-CZ 4.48Å; F634-F668 HydrophobicContact CD2-CD2 4.06Å; F634-F668 AromaticContact CD2-CE2 3.6Å; F634-F668 HydrophobicContact CD2-CE2 3.6Å; F634-F668 AromaticContact CD2-CZ 3.91Å; F634-F668 HydrophobicContact CD2-CZ 3.91Å; F634-F668 HydrophobicContact CE2-CD2 4.19Å; F634-F668 HydrophobicContact CE2-CE1 4.47Å; F634-F668 AromaticContact CE2-CE2 3.29Å; F634-F668 HydrophobicContact CE2-CE2 3.29Å; F634-F668 AromaticContact CE2-CZ 3.48Å; F634-F668 HydrophobicContact CE2-CZ 3.48Å; F634-F668 VanDerWaalsContact CE2-CZ 3.48Å; F634-F668 HydrophobicContact CZ-CE2 4.27Å; F664-F668 HydrophobicContact CB-CD2 4.38Å; F664-F668 WeakPolarHBondContact O-CB 3.5Å; F664-F668 VanDerWaalsContact O-CD2 3.25Å; F664-F668 WeakPolarHBondContact O-CD2 3.09Å; F664-F668 PolarHBondContact O-N 2.83Å; R666-F668 VanDerWaalsContact C-N 3.34Å; R666-F668 PolarHBondContact O-N 3.13Å; F668-E670 PolarHBondContact O-N 3.3Å; F668-I671 HydrophobicContact CD1-CD1 4.32Å; F668-I671 HydrophobicContact CD2-CD1 4.12Å; F668-I671 HydrophobicContact CE2-CD1 4.38Å; F668-I671 HydrophobicContact CG-CD1 4.09Å; F668-I671 PolarHBondContact O-N 2.73Å
669	K	92.7	Very high	94.1	Very high	168 Å²	168	56.7 Å²	56.7	73%	0.73	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.6	175	-65.6	175.2	-176.1	-178.8	0	112.8	V665 R666 A667	V665-K669 WeakPolarHBondContact O-CG 3.34Å; R666-K669 WeakPolarHBondContact O-CB 3.42Å; R666-K669 PolarHBondContact O-N 2.92Å; A667-K669 PolarHBondContact O-N 3.43Å
670	E	94.3	Very high	94.3	Very high	108 Å²	108	54.9 Å²	54.9	51%	0.505	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-8.5	-178.7	-60	-171.8	-150.3	0	0	113.6	F552 A667 F668 T672 R675	F552-E670 HydrophobicContact CD2-CB 4.2Å; F552-E670 HydrophobicContact CE2-CB 4.06Å; A667-E670 PolarHBondContact O-N 2.86Å; F668-E670 PolarHBondContact O-N 3.3Å; E670-T672 PolarHBondContact O-N 2.82Å; E670-R675 PolarHBondContact O-NH1 3.02Å; E670-R675 IonicContact OE2-NH1 3.62Å; E670-R675 PolarHBondContact OE2-NH1 3.18Å
671	I	95.9	Very high	94.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.28	C	S	.	.			trans	-78	120	-175.7	-66.3	169.8	0	0	0	110.2	F552 L556 I559 F623 R627 A667 F668	F552-I671 HydrophobicContact CD2-CG1 4.22Å; F552-I671 HydrophobicContact CE2-CG1 3.81Å; L556-I671 HydrophobicContact CD2-CG1 4.16Å; L556-I671 HydrophobicContact CD2-CG2 3.77Å; I559-I671 HydrophobicContact CD1-CD1 3.63Å; I559-I671 HydrophobicContact CD1-CG2 3.73Å; F623-I671 HydrophobicContact CE2-CG2 3.86Å; F623-I671 HydrophobicContact CZ-CG2 3.89Å; R627-I671 PolarHBondContact NH1-O 2.88Å; A667-I671 PolarHBondContact O-N 3.37Å; F668-I671 HydrophobicContact CD1-CD1 4.32Å; F668-I671 HydrophobicContact CD2-CD1 4.12Å; F668-I671 HydrophobicContact CE2-CD1 4.38Å; F668-I671 HydrophobicContact CG-CD1 4.09Å; F668-I671 PolarHBondContact O-N 2.73Å
672	T	96.6	Very high	94.6	Very high	59 Å²	59	62.7 Å²	62.7	36%	0.362	29%	0.292	S	S	.	.			trans	-119.4	159.6	173.4	70.2	0	0	0	0	110.3	E670 E674 R675 L676	E670-T672 PolarHBondContact O-N 2.82Å; T672-E674 VanDerWaalsContact C-N 3.29Å; T672-E674 PolarHBondContact O-N 3.02Å; T672-R675 PolarHBondContact O-N 2.64Å; T672-R675 WeakPolarHBondContact OG1-CG 3.46Å; T672-R675 PolarHBondContact OG1-N 2.71Å; T672-L676 PolarHBondContact O-N 3Å; T672-L676 VanDerWaalsContact O-N 3.07Å
673	Y	97.2	Very high	95	Very high	70 Å²	70	59.9 Å²	59.9	28%	0.275	28%	0.277	S	S	.	.	H	α-helix	trans	-57.2	-42.1	177.9	178.6	-100.8	0	0	0	112.1	P618 T620 F623 R675 L676 I677	P618-Y673 HydrophobicContact CB-CE2 4.26Å; P618-Y673 WeakPolarHBondContact O-CE2 3.49Å; P618-Y673 PolarHBondContact O-OH 2.89Å; T620-Y673 HydrophobicContact CG2-CD2 4.31Å; T620-Y673 HydrophobicContact CG2-CG 4.24Å; F623-Y673 HydrophobicContact CB-CD2 3.93Å; F623-Y673 HydrophobicContact CB-CE2 4.5Å; F623-Y673 AromaticContact CD1-CD2 3.98Å; F623-Y673 HydrophobicContact CD1-CD2 3.98Å; F623-Y673 HydrophobicContact CD1-CG 4.37Å; F623-Y673 VanDerWaalsContact CE1-N 3.32Å; F623-Y673 AromaticContact CG-CD2 3.9Å; F623-Y673 HydrophobicContact CG-CD2 3.9Å; F623-Y673 VanDerWaalsContact CZ-N 3.29Å; Y673-R675 PolarHBondContact O-N 2.72Å; Y673-L676 WeakPolarHBondContact O-CB 3.38Å; Y673-L676 PolarHBondContact O-N 2.85Å; Y673-L676 VanDerWaalsContact O-N 3.16Å; Y673-I677 HydrophobicContact CD1-CG1 4.18Å; Y673-I677 HydrophobicContact CE1-CD1 4.29Å; Y673-I677 HydrophobicContact CE1-CG1 3.72Å; Y673-I677 HydrophobicContact CE2-CD1 4.07Å; Y673-I677 HydrophobicContact CE2-CG1 4.18Å; Y673-I677 WeakPolarHBondContact O-CG1 3.35Å; Y673-I677 PolarHBondContact O-N 3.28Å
674	E	96.7	Very high	95	Very high	157 Å²	157	59.5 Å²	59.5	73%	0.734	28%	0.275	S	S	*	.	H	α-helix	trans	-59.6	-43.9	177.1	-175.2	-175.3	175.1	0	0	112.2	T672 L676 I677 N678	T672-E674 VanDerWaalsContact C-N 3.29Å; T672-E674 PolarHBondContact O-N 3.02Å; E674-L676 VanDerWaalsContact C-N 3.31Å; E674-L676 PolarHBondContact O-N 3.47Å; E674-I677 PolarHBondContact O-N 2.7Å; E674-N678 PolarHBondContact O-N 3.09Å
675	R	96.9	Very high	95	Very high	112 Å²	112	63.6 Å²	63.6	42%	0.423	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-36.4	177.2	-68.7	-169.3	-175.7	-171.2	-0.9	111.7	F552 E670 T672 Y673 N678 F679	F552-R675 HydrophobicContact CZ-CB 4.07Å; F552-R675 HydrophobicContact CZ-CG 4.31Å; E670-R675 PolarHBondContact O-NH1 3.02Å; E670-R675 IonicContact OE2-NH1 3.62Å; E670-R675 PolarHBondContact OE2-NH1 3.18Å; T672-R675 PolarHBondContact O-N 2.64Å; T672-R675 WeakPolarHBondContact OG1-CG 3.46Å; T672-R675 PolarHBondContact OG1-N 2.71Å; Y673-R675 PolarHBondContact O-N 2.72Å; R675-N678 PolarHBondContact O-N 3.03Å; R675-F679 WeakPolarHBondContact O-CB 3.46Å; R675-F679 PolarHBondContact O-N 3.31Å
676	L	97.2	Very high	95.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-48.9	173.7	178.6	69.1	0	0	0	112	L556 I559 L563 P618 F623 T672 Y673 E674 N678 F679 T680	L556-L676 HydrophobicContact CD2-CB 4.19Å; L556-L676 HydrophobicContact CD2-CD1 4.28Å; I559-L676 HydrophobicContact CG2-CD1 4.19Å; I559-L676 HydrophobicContact CG2-CD2 4.02Å; L563-L676 HydrophobicContact CD1-CD2 3.51Å; P618-L676 HydrophobicContact CB-CD2 4.12Å; P618-L676 HydrophobicContact CG-CD2 4.15Å; F623-L676 HydrophobicContact CD2-CD2 3.49Å; F623-L676 VanDerWaalsContact CD2-CD2 3.49Å; F623-L676 HydrophobicContact CE2-CB 4.27Å; F623-L676 HydrophobicContact CE2-CD2 3.94Å; F623-L676 HydrophobicContact CG-CD2 4.38Å; T672-L676 PolarHBondContact O-N 3Å; T672-L676 VanDerWaalsContact O-N 3.07Å; Y673-L676 WeakPolarHBondContact O-CB 3.38Å; Y673-L676 PolarHBondContact O-N 2.85Å; Y673-L676 VanDerWaalsContact O-N 3.16Å; E674-L676 VanDerWaalsContact C-N 3.31Å; E674-L676 PolarHBondContact O-N 3.47Å; L676-N678 VanDerWaalsContact C-N 3.27Å; L676-N678 PolarHBondContact O-N 3.12Å; L676-F679 WeakPolarHBondContact O-CB 3.25Å; L676-F679 PolarHBondContact O-N 2.89Å; L676-F679 VanDerWaalsContact O-N 3.1Å; L676-T680 WeakPolarHBondContact O-CG2 2.98Å; L676-T680 PolarHBondContact O-N 2.79Å
677	I	96.6	Very high	95.3	Very high	49 Å²	49	60.2 Å²	60.2	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-37.8	179.4	-64.3	-57.6	0	0	0	111.6	P618 Y673 E674 T680	P618-I677 HydrophobicContact CB-CD1 4.36Å; P618-I677 HydrophobicContact CG-CD1 4.21Å; Y673-I677 HydrophobicContact CD1-CG1 4.18Å; Y673-I677 HydrophobicContact CE1-CD1 4.29Å; Y673-I677 HydrophobicContact CE1-CG1 3.72Å; Y673-I677 HydrophobicContact CE2-CD1 4.07Å; Y673-I677 HydrophobicContact CE2-CG1 4.18Å; Y673-I677 WeakPolarHBondContact O-CG1 3.35Å; Y673-I677 PolarHBondContact O-N 3.28Å; E674-I677 PolarHBondContact O-N 2.7Å; I677-T680 PolarHBondContact O-OG1 2.88Å
678	N	95.8	Very high	95.3	Very high	83 Å²	83	59.9 Å²	59.9	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-40.2	175.1	-157.2	5.2	0	0	0	111.7	E674 R675 L676 T680 M681 Q682	E674-N678 PolarHBondContact O-N 3.09Å; R675-N678 PolarHBondContact O-N 3.03Å; L676-N678 VanDerWaalsContact C-N 3.27Å; L676-N678 PolarHBondContact O-N 3.12Å; N678-T680 PolarHBondContact O-N 3.01Å; N678-M681 PolarHBondContact O-N 3.32Å; N678-Q682 WeakPolarHBondContact O-CG 3.31Å; N678-Q682 PolarHBondContact O-N 3.37Å
679	F	96.5	Very high	95.5	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-40.2	176.6	169.9	-90.7	0	0	0	113.2	L546 H553 L556 C557 Y560 R675 L676 M681 Q682 F683	L546-F679 HydrophobicContact CB-CE2 4.03Å; H553-F679 HydrophobicContact CB-CE2 4.36Å; L556-F679 HydrophobicContact CB-CB 4.24Å; L556-F679 HydrophobicContact CB-CD1 3.86Å; L556-F679 HydrophobicContact CB-CD2 3.89Å; L556-F679 HydrophobicContact CB-CE1 4.21Å; L556-F679 HydrophobicContact CB-CE2 4.21Å; L556-F679 HydrophobicContact CB-CG 3.7Å; L556-F679 HydrophobicContact CB-CZ 4.38Å; L556-F679 HydrophobicContact CD1-CB 3.86Å; L556-F679 HydrophobicContact CD1-CD2 4.02Å; L556-F679 HydrophobicContact CD1-CG 4.03Å; L556-F679 HydrophobicContact CG-CG 4.47Å; C557-F679 HydrophobicContact CB-CE1 4.06Å; C557-F679 HydrophobicContact CB-CE2 4.48Å; C557-F679 HydrophobicContact CB-CZ 3.54Å; Y560-F679 HydrophobicContact CD1-CE1 4.36Å; R675-F679 WeakPolarHBondContact O-CB 3.46Å; R675-F679 PolarHBondContact O-N 3.31Å; L676-F679 WeakPolarHBondContact O-CB 3.25Å; L676-F679 PolarHBondContact O-N 2.89Å; L676-F679 VanDerWaalsContact O-N 3.1Å; F679-M681 VanDerWaalsContact C-N 3.27Å; F679-M681 PolarHBondContact O-N 3.22Å; F679-Q682 PolarHBondContact O-N 3.13Å; F679-Q682 VanDerWaalsContact O-N 3.16Å; F679-F683 HydrophobicContact CE1-CB 4.11Å; F679-F683 HydrophobicContact CE1-CD2 4.24Å; F679-F683 HydrophobicContact CE1-CG 4.42Å; F679-F683 HydrophobicContact CZ-CB 4.13Å; F679-F683 AromaticContact CZ-CD2 3.79Å; F679-F683 HydrophobicContact CZ-CD2 3.79Å; F679-F683 HydrophobicContact CZ-CG 4.33Å; F679-F683 WeakPolarHBondContact O-CB 3.48Å; F679-F683 PolarHBondContact O-N 2.89Å
680	T	94.3	Very high	95.6	Very high	18 Å²	18	51.6 Å²	51.6	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-40	179.5	61.2	0	0	0	0	111.5	Y560 L676 I677 N678 H684	Y560-T680 HydrophobicContact CD1-CG2 4.3Å; Y560-T680 HydrophobicContact CD2-CG2 3.55Å; Y560-T680 HydrophobicContact CE1-CG2 4.35Å; Y560-T680 HydrophobicContact CE2-CG2 3.59Å; Y560-T680 HydrophobicContact CG-CG2 3.94Å; L676-T680 WeakPolarHBondContact O-CG2 2.98Å; L676-T680 PolarHBondContact O-N 2.79Å; I677-T680 PolarHBondContact O-OG1 2.88Å; N678-T680 PolarHBondContact O-N 3.01Å; T680-H684 PolarHBondContact O-CD2 3.34Å; T680-H684 PolarHBondContact O-N 2.78Å
681	M	92	Very high	95.8	Very high	119 Å²	119	46.4 Å²	46.4	59%	0.586	22%	0.215	S	C	*	.	H	α-helix	trans	-64.7	-44.6	175.1	-65	-175.4	-74.7	0	0	112	N678 F679 E685	N678-M681 PolarHBondContact O-N 3.32Å; F679-M681 VanDerWaalsContact C-N 3.27Å; F679-M681 PolarHBondContact O-N 3.22Å; M681-E685 PolarHBondContact O-N 2.82Å
682	Q	94.9	Very high	95.9	Very high	79 Å²	79	46.4 Å²	46.4	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-66.8	-40.5	179.8	-69.1	175.8	-10.2	0	0	112.6	L546 N678 F679 H684 E685	L546-Q682 HydrophobicContact CD1-CB 3.71Å; N678-Q682 WeakPolarHBondContact O-CG 3.31Å; N678-Q682 PolarHBondContact O-N 3.37Å; F679-Q682 PolarHBondContact O-N 3.13Å; F679-Q682 VanDerWaalsContact O-N 3.16Å; Q682-H684 VanDerWaalsContact C-N 3.26Å; Q682-H684 PolarHBondContact O-N 2.94Å; Q682-E685 PolarHBondContact O-N 3.29Å
683	F	95.3	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-43	179.7	177.9	-88.9	0	0	0	111.5	I542 S544 A547 Y560 I591 F679 I687	I542-F683 HydrophobicContact CG2-CE1 4.07Å; I542-F683 HydrophobicContact CG2-CZ 4.48Å; S544-F683 PolarHBondContact OG-O 3.27Å; A547-F683 HydrophobicContact CB-CE2 4.31Å; Y560-F683 HydrophobicContact CE1-CD1 4.43Å; I591-F683 HydrophobicContact CB-CZ 4.21Å; I591-F683 HydrophobicContact CD1-CE1 4.03Å; I591-F683 HydrophobicContact CD1-CE2 4.34Å; I591-F683 HydrophobicContact CD1-CZ 3.82Å; I591-F683 HydrophobicContact CG1-CE1 4.37Å; I591-F683 HydrophobicContact CG1-CE2 4.25Å; I591-F683 HydrophobicContact CG1-CZ 3.73Å; F679-F683 HydrophobicContact CE1-CB 4.11Å; F679-F683 HydrophobicContact CE1-CD2 4.24Å; F679-F683 HydrophobicContact CE1-CG 4.42Å; F679-F683 HydrophobicContact CZ-CB 4.13Å; F679-F683 AromaticContact CZ-CD2 3.79Å; F679-F683 HydrophobicContact CZ-CD2 3.79Å; F679-F683 HydrophobicContact CZ-CG 4.33Å; F679-F683 WeakPolarHBondContact O-CB 3.48Å; F679-F683 PolarHBondContact O-N 2.89Å; F683-I687 WeakPolarHBondContact O-CG2 3.47Å
684	H	94.3	Very high	95.9	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-85.4	-7.6	-176.7	-68.4	-60.8	0	0	0	114.8	Y560 F613 T680 Q682 R686 M717 S719	Y560-H684 AromaticContact CE1-NE2 3.67Å; Y560-H684 AromaticContact CZ-NE2 3.72Å; Y560-H684 PolarHBondContact OH-NE2 2.82Å; F613-H684 AromaticContact CE1-CE1 3.52Å; F613-H684 AromaticContact CZ-CE1 3.65Å; T680-H684 PolarHBondContact O-CD2 3.34Å; T680-H684 PolarHBondContact O-N 2.78Å; Q682-H684 VanDerWaalsContact C-N 3.26Å; Q682-H684 PolarHBondContact O-N 2.94Å; H684-R686 PolarHBondContact O-N 2.87Å; H684-M717 HydrophobicContact CB-CB 3.99Å; H684-M717 HydrophobicContact CB-CG 4.34Å; H684-S719 WeakPolarHBondContact O-CA 3.43Å; H684-S719 VanDerWaalsContact O-CB 3.23Å; H684-S719 WeakPolarHBondContact O-CB 3.28Å; H684-S719 PolarHBondContact O-OG 2.79Å
685	E	94.3	Very high	95.8	Very high	108 Å²	108	32.9 Å²	32.9	51%	0.505	15%	0.15	S	C	.	.	H	α-helix	trans	-63.3	-42.8	-176.1	-168.2	-169.3	161.8	0	0	112.2	M681 Q682 K720	M681-E685 PolarHBondContact O-N 2.82Å; Q682-E685 PolarHBondContact O-N 3.29Å; E685-K720 PolarHBondContact O-N 2.83Å
686	R	95.2	Very high	95.6	Very high	116 Å²	116	28.3 Å²	28.3	44%	0.438	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	105.8	-175.9	-67.2	-71.8	-178.1	163	5.6	110	H684 K720 P721 L722	H684-R686 PolarHBondContact O-N 2.87Å; R686-K720 WeakPolarHBondContact CA-O 3.34Å; R686-P721 WeakPolarHBondContact CD-O 3.33Å; R686-P721 PolarHBondContact NH1-O 3.45Å; R686-L722 HydrophobicContact CB-CD1 4.31Å
687	I	96	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.7	-174.3	66.3	176.5	0	0	0	112.6	M520 I542 V543 F683 L713 K720 L722	M520-I687 HydrophobicContact CE-CD1 3.83Å; M520-I687 HydrophobicContact CE-CG1 3.71Å; I542-I687 HydrophobicContact CG2-CB 4.21Å; I542-I687 HydrophobicContact CG2-CD1 4.14Å; I542-I687 HydrophobicContact CG2-CG2 4.1Å; V543-I687 VanDerWaalsContact O-CA 3.27Å; V543-I687 WeakPolarHBondContact O-CA 3.19Å; F683-I687 WeakPolarHBondContact O-CG2 3.47Å; I687-L713 HydrophobicContact CD1-CB 4.17Å; I687-L713 HydrophobicContact CD1-CD1 3.81Å; I687-L713 HydrophobicContact CD1-CD2 4.29Å; I687-L713 HydrophobicContact CD1-CG 4.32Å; I687-K720 PolarHBondContact N-O 3.36Å; I687-L722 PolarHBondContact O-N 2.85Å
688	F	96.6	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.2	164.8	-178.4	-100.1	0	0	0	109.4	M520 R522 V543 E690 L722 L724 I727	M520-F688 VanDerWaalsContact C-CD2 3.49Å; M520-F688 CarbonylContact O-C 3.58Å; M520-F688 WeakPolarHBondContact O-CA 3.12Å; R522-F688 HydrophobicContact CB-CE1 4.05Å; R522-F688 HydrophobicContact CB-CZ 3.61Å; V543-F688 HydrophobicContact CB-CB 4.17Å; V543-F688 WeakPolarHBondContact CB-O 3.41Å; V543-F688 PolarHBondContact N-O 3.26Å; V543-F688 PolarHBondContact O-N 2.98Å; F688-E690 HydrophobicContact CD1-CB 4.42Å; F688-E690 HydrophobicContact CE1-CB 4.07Å; F688-L722 HydrophobicContact CB-CB 4.23Å; F688-L722 HydrophobicContact CB-CD2 4.35Å; F688-L724 HydrophobicContact CD2-CD2 3.92Å; F688-L724 HydrophobicContact CE2-CD2 3.6Å; F688-L724 HydrophobicContact CZ-CD2 3.97Å; F688-I727 HydrophobicContact CB-CD1 4.37Å; F688-I727 HydrophobicContact CD1-CD1 3.76Å; F688-I727 HydrophobicContact CE1-CD1 4.12Å; F688-I727 HydrophobicContact CG-CD1 4Å
689	I	96.5	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.5	-178.6	-54.9	172.4	0	0	0	108.8	M520 S521 R522 F540 H541 R710 L713	M520-I689 PolarHBondContact O-N 3.32Å; S521-I689 CarbonylContact C-O 3.57Å; S521-I689 WeakPolarHBondContact CA-O 3.44Å; R522-I689 PolarHBondContact N-O 3.16Å; F540-I689 HydrophobicContact CD1-CG2 4.02Å; H541-I689 WeakPolarHBondContact O-CA 3.16Å; I689-R710 HydrophobicContact CD1-CB 4.25Å; I689-L713 HydrophobicContact CD1-CD1 3.7Å; I689-L713 HydrophobicContact CG1-CD1 4.38Å
690	E	95.8	Very high	94.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.6	170.4	-168.3	156.3	-149.7	0	0	109.1	R522 H541 F688 I901 R904	R522-E690 VanDerWaalsContact CD-OE1 3.32Å; R522-E690 WeakPolarHBondContact CD-OE1 3.48Å; R522-E690 IonicContact NH1-OE1 3.59Å; R522-E690 PolarHBondContact NH1-OE1 3.06Å; R522-E690 CarbonylContact O-C 3.58Å; R522-E690 WeakPolarHBondContact O-CA 3.33Å; H541-E690 HydrophobicContact CB-CB 4.4Å; H541-E690 VanDerWaalsContact CB-O 3.26Å; H541-E690 WeakPolarHBondContact CB-O 3.15Å; H541-E690 PolarHBondContact N-O 2.88Å; H541-E690 PolarHBondContact O-N 2.7Å; F688-E690 HydrophobicContact CD1-CB 4.42Å; F688-E690 HydrophobicContact CE1-CB 4.07Å; E690-I901 HydrophobicContact CG-CG2 4.26Å; E690-R904 IonicContact OE2-CZ 2.75Å; E690-R904 IonicContact OE2-NE 3.96Å; E690-R904 IonicContact OE2-NH2 2.78Å; E690-R904 PolarHBondContact OE2-NH2 3.03Å
691	G	97	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.4	-173.4	0	0	0	0	0	114	R522 W524 T539	R522-G691 PolarHBondContact O-N 3.44Å; W524-G691 PolarHBondContact N-O 3.26Å; T539-G691 CarbonylContact O-C 3.57Å; T539-G691 WeakPolarHBondContact O-CA 3.44Å
692	F	98	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.5	174	178.7	-138.2	0	0	0	110.5	P512 W524 F526 I538 T539 Y694 F894 L897 W898 I901	P512-F692 HydrophobicContact CB-CE2 4.16Å; P512-F692 HydrophobicContact CG-CE2 4.13Å; P512-F692 HydrophobicContact CG-CZ 4.33Å; W524-F692 HydrophobicContact CB-CB 4.39Å; W524-F692 HydrophobicContact CB-CD2 3.68Å; W524-F692 HydrophobicContact CB-CE2 4.48Å; W524-F692 HydrophobicContact CB-CG 4.43Å; W524-F692 WeakPolarHBondContact O-CA 3.43Å; F526-F692 HydrophobicContact CB-CE2 4.01Å; F526-F692 HydrophobicContact CB-CZ 4.33Å; I538-F692 CarbonylContact C-O 3.38Å; I538-F692 WeakPolarHBondContact CA-O 3.38Å; T539-F692 PolarHBondContact N-O 2.8Å; T539-F692 PolarHBondContact O-N 2.82Å; F692-Y694 HydrophobicContact CZ-CG 4.42Å; F692-F894 AromaticContact CD1-CD2 3.64Å; F692-F894 HydrophobicContact CD1-CD2 3.64Å; F692-F894 AromaticContact CD1-CE2 3.22Å; F692-F894 HydrophobicContact CD1-CE2 3.22Å; F692-F894 AromaticContact CD1-CZ 3.93Å; F692-F894 HydrophobicContact CD1-CZ 3.93Å; F692-F894 AromaticContact CE1-CD2 3.4Å; F692-F894 HydrophobicContact CE1-CD2 3.4Å; F692-F894 AromaticContact CE1-CE2 3.53Å; F692-F894 HydrophobicContact CE1-CE2 3.53Å; F692-F894 HydrophobicContact CE1-CG 4.32Å; F692-F894 HydrophobicContact CE1-CZ 4.5Å; F692-F894 HydrophobicContact CG-CE2 4.13Å; F692-F894 HydrophobicContact CZ-CD2 4.38Å; F692-L897 HydrophobicContact CE1-CB 3.84Å; F692-L897 HydrophobicContact CZ-CB 3.81Å; F692-L897 HydrophobicContact CZ-CD1 3.92Å; F692-W898 HydrophobicContact CB-CE3 3.45Å; F692-W898 VanDerWaalsContact CB-CE3 3.45Å; F692-W898 HydrophobicContact CB-CZ3 3.6Å; F692-W898 HydrophobicContact CD1-CB 4.2Å; F692-W898 HydrophobicContact CD1-CE3 4.07Å; F692-W898 HydrophobicContact CG-CE3 4.17Å; F692-I901 HydrophobicContact CB-CD1 4.01Å; F692-I901 HydrophobicContact CD1-CD1 4.13Å; F692-I901 HydrophobicContact CD2-CD1 3.77Å; F692-I901 HydrophobicContact CE2-CD1 4.26Å; F692-I901 HydrophobicContact CG-CD1 3.7Å
693	I	97.7	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.4	-175	-56.5	-176.5	0	0	0	108.2	I523 W524 Y525 F526 I538 F540 I697 A702 Y705	I523-I693 HydrophobicContact CG2-CD1 4.13Å; I523-I693 HydrophobicContact CG2-CG1 4.45Å; W524-I693 PolarHBondContact O-N 2.94Å; Y525-I693 CarbonylContact C-O 3.52Å; Y525-I693 VanDerWaalsContact CA-O 3.29Å; Y525-I693 WeakPolarHBondContact CA-O 3.35Å; Y525-I693 HydrophobicContact CD2-CB 4.36Å; Y525-I693 HydrophobicContact CD2-CG2 4.22Å; F526-I693 PolarHBondContact N-O 2.9Å; I538-I693 HydrophobicContact CG1-CG2 4.3Å; I538-I693 HydrophobicContact CG2-CG1 4.27Å; F540-I693 HydrophobicContact CZ-CD1 4.44Å; I693-I697 HydrophobicContact CG2-CB 4.35Å; I693-I697 HydrophobicContact CG2-CD1 3.78Å; I693-I697 HydrophobicContact CG2-CG2 3.95Å; I693-A702 HydrophobicContact CB-CB 4.24Å; I693-A702 HydrophobicContact CD1-CB 3.79Å; I693-A702 VanDerWaalsContact CD1-O 3.26Å; I693-A702 WeakPolarHBondContact CD1-O 3.19Å; I693-A702 HydrophobicContact CG2-CB 3.89Å; I693-Y705 HydrophobicContact CD1-CD2 4.46Å
694	Y	95.9	Very high	95.1	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142	-175.2	168.7	-114	0	0	0	111.9	F526 D528 F531 F537 F692 M890 R893 F894	F526-Y694 HydrophobicContact CB-CD2 4.05Å; F526-Y694 AromaticContact CD1-CD2 3.56Å; F526-Y694 HydrophobicContact CD1-CD2 3.56Å; F526-Y694 AromaticContact CD1-CE2 3.65Å; F526-Y694 HydrophobicContact CD1-CE2 3.65Å; F526-Y694 HydrophobicContact CE1-CD2 4.46Å; F526-Y694 HydrophobicContact CE1-CE2 4.11Å; F526-Y694 HydrophobicContact CG-CD2 4.21Å; F526-Y694 WeakPolarHBondContact O-CA 2.98Å; F526-Y694 VanDerWaalsContact O-CD2 3.23Å; F526-Y694 WeakPolarHBondContact O-CD2 3.28Å; D528-Y694 HydrophobicContact CB-CE2 3.89Å; D528-Y694 PolarHBondContact OD1-OH 3.12Å; D528-Y694 VanDerWaalsContact OD1-OH 3.06Å; F531-Y694 WeakPolarHBondContact CD2-OH 3.21Å; F537-Y694 HydrophobicContact CB-CD1 4.08Å; F537-Y694 HydrophobicContact CD2-CD1 4.14Å; F537-Y694 HydrophobicContact CD2-CE1 4.47Å; F537-Y694 HydrophobicContact CG-CD1 4.16Å; F537-Y694 PolarHBondContact N-O 3.29Å; F537-Y694 PolarHBondContact O-N 3.42Å; F692-Y694 HydrophobicContact CZ-CG 4.42Å; Y694-M890 HydrophobicContact CE1-CB 3.89Å; Y694-M890 HydrophobicContact CE1-CE 4Å; Y694-M890 HydrophobicContact CE1-CG 4.35Å; Y694-M890 WeakPolarHBondContact CE1-O 3.41Å; Y694-R893 HydrophobicContact CE1-CB 4.37Å; Y694-R893 HydrophobicContact CE1-CG 4.4Å; Y694-R893 HydrophobicContact CE2-CG 4.37Å; Y694-F894 HydrophobicContact CD1-CB 3.91Å; Y694-F894 AromaticContact CD1-CD2 3.96Å; Y694-F894 HydrophobicContact CD1-CD2 3.96Å; Y694-F894 HydrophobicContact CD1-CG 4.42Å; Y694-F894 HydrophobicContact CE1-CB 4.32Å; Y694-F894 HydrophobicContact CG-CD2 4.3Å
695	G	94.6	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123	-149.1	169.7	0	0	0	0	0	114.8	F526 D528 I697 M890	F526-G695 PolarHBondContact O-N 3.19Å; D528-G695 PolarHBondContact N-O 2.94Å; D528-G695 VanDerWaalsContact N-O 3.09Å; G695-I697 PolarHBondContact O-N 3.03Å; G695-M890 VanDerWaalsContact CA-CE 3.47Å
696	N	94	Very high	95.3	Very high	16 Å²	16	20.9 Å²	20.9	9%	0.086	10%	0.101	C	C	.	.	S	Bend	trans	-78.9	63	176.3	-171.1	45.2	0	0	0	111.3	N499 L500 V501 L533 K535 S599	N499-N696 PolarHBondContact O-ND2 3.39Å; L500-N696 WeakPolarHBondContact CA-OD1 3.22Å; V501-N696 WeakPolarHBondContact CG2-OD1 3.45Å; V501-N696 PolarHBondContact N-OD1 2.82Å; L533-N696 WeakPolarHBondContact O-CB 3.49Å; K535-N696 WeakPolarHBondContact O-CB 3.43Å; K535-N696 PolarHBondContact O-N 3.37Å; S599-N696 VanDerWaalsContact CB-O 3.3Å; S599-N696 WeakPolarHBondContact CB-O 3.41Å; S599-N696 PolarHBondContact OG-ND2 3.07Å
697	I	93.9	Very high	95.3	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.106	C	C	.	.			trans	-135.9	138.6	-176.2	-60.5	175.2	0	0	0	107.3	Y525 I538 L602 I693 G695 D701 Y705	Y525-I697 PolarHBondContact OH-O 3.44Å; I538-I697 HydrophobicContact CD1-CD1 3.88Å; I538-I697 HydrophobicContact CG1-CD1 3.79Å; L602-I697 HydrophobicContact CD2-CD1 4Å; I693-I697 HydrophobicContact CG2-CB 4.35Å; I693-I697 HydrophobicContact CG2-CD1 3.78Å; I693-I697 HydrophobicContact CG2-CG2 3.95Å; G695-I697 PolarHBondContact O-N 3.03Å; I697-D701 HydrophobicContact CG2-CB 3.65Å; I697-Y705 HydrophobicContact CD1-CE2 4.32Å; I697-Y705 HydrophobicContact CG2-CD2 4.38Å; I697-Y705 HydrophobicContact CG2-CE2 3.85Å
698	T	92.3	Very high	95.3	Very high	25 Å²	25	22.5 Å²	22.5	15%	0.153	11%	0.114	C	C	.	.			trans	-78.2	161.4	175.6	64.8	0	0	0	0	111.9	V501 E700 D701 A702	V501-T698 HydrophobicContact CB-CG2 4.44Å; V501-T698 HydrophobicContact CG1-CG2 3.48Å; V501-T698 VanDerWaalsContact CG1-CG2 3.48Å; V501-T698 HydrophobicContact CG2-CG2 4.01Å; T698-E700 PolarHBondContact O-N 2.89Å; T698-D701 PolarHBondContact O-N 3.39Å; T698-D701 WeakPolarHBondContact OG1-CB 3.31Å; T698-D701 PolarHBondContact OG1-N 2.65Å; T698-D701 PolarHBondContact OG1-OD2 3.19Å; T698-A702 WeakPolarHBondContact O-CB 3.43Å; T698-A702 PolarHBondContact O-N 3.24Å
699	E	92	Very high	95.2	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.159	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-38.5	171.5	-174.1	175.3	144.9	0	0	111	L515 Y525 A702 I703	L515-E699 HydrophobicContact CD1-CG 4.05Å; L515-E699 HydrophobicContact CD2-CG 3.89Å; Y525-E699 HydrophobicContact CE1-CB 4.19Å; Y525-E699 PolarHBondContact OH-N 3.11Å; E699-A702 WeakPolarHBondContact O-CB 3.42Å; E699-A702 PolarHBondContact O-N 3.41Å; E699-I703 HydrophobicContact CG-CD1 4.43Å; E699-I703 WeakPolarHBondContact O-CG1 3.43Å; E699-I703 PolarHBondContact O-N 3.46Å
700	E	93	Very high	95.2	Very high	100 Å²	100	27.7 Å²	27.7	47%	0.467	13%	0.134	S	C	.	.	H	α-helix	trans	-64.9	-40.8	176.8	-64.8	83.5	177.2	0	0	112.6	K504 T698 I703 S704	K504-E700 IonicContact NZ-OE1 2.63Å; K504-E700 PolarHBondContact NZ-OE1 3.39Å; K504-E700 IonicContact NZ-OE2 3.36Å; K504-E700 PolarHBondContact NZ-OE2 2.86Å; T698-E700 PolarHBondContact O-N 2.89Å; E700-I703 PolarHBondContact O-N 3.39Å; E700-S704 WeakPolarHBondContact O-CB 3.32Å; E700-S704 PolarHBondContact O-N 3.49Å
701	D	93.8	Very high	95.2	Very high	53 Å²	53	28.4 Å²	28.4	28%	0.283	14%	0.141	S	C	.	.	H	α-helix	trans	-65.4	-41.2	173.8	-71.1	-46.3	0	0	0	111	K603 I697 T698 I703 S704 Y705	K603-D701 IonicContact NZ-OD1 3.8Å; I697-D701 HydrophobicContact CG2-CB 3.65Å; T698-D701 PolarHBondContact O-N 3.39Å; T698-D701 WeakPolarHBondContact OG1-CB 3.31Å; T698-D701 PolarHBondContact OG1-N 2.65Å; T698-D701 PolarHBondContact OG1-OD2 3.19Å; D701-I703 VanDerWaalsContact C-N 3.32Å; D701-I703 PolarHBondContact O-N 3.45Å; D701-S704 CarbonylContact O-C 3.57Å; D701-S704 WeakPolarHBondContact O-CA 3.46Å; D701-S704 WeakPolarHBondContact O-CB 3.47Å; D701-S704 PolarHBondContact O-N 2.86Å; D701-S704 VanDerWaalsContact O-N 3.08Å; D701-Y705 HydrophobicContact CB-CD2 4.43Å; D701-Y705 HydrophobicContact CB-CE2 4.06Å; D701-Y705 WeakPolarHBondContact O-CD2 3.32Å; D701-Y705 PolarHBondContact O-N 2.89Å
702	A	95	Very high	95.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.7	-45.3	176.8	0	0	0	0	0	112	L515 Y525 I693 T698 E699 Y705 H706	L515-A702 HydrophobicContact CD1-CB 3.9Å; Y525-A702 HydrophobicContact CD2-CB 3.63Å; Y525-A702 HydrophobicContact CE2-CB 4.05Å; Y525-A702 HydrophobicContact CG-CB 4.38Å; I693-A702 HydrophobicContact CB-CB 4.24Å; I693-A702 HydrophobicContact CD1-CB 3.79Å; I693-A702 VanDerWaalsContact CD1-O 3.26Å; I693-A702 WeakPolarHBondContact CD1-O 3.19Å; I693-A702 HydrophobicContact CG2-CB 3.89Å; T698-A702 WeakPolarHBondContact O-CB 3.43Å; T698-A702 PolarHBondContact O-N 3.24Å; E699-A702 WeakPolarHBondContact O-CB 3.42Å; E699-A702 PolarHBondContact O-N 3.41Å; A702-Y705 PolarHBondContact O-N 3.23Å; A702-H706 PolarHBondContact O-N 3.4Å
703	I	95.5	Very high	95	Very high	39 Å²	39	29.8 Å²	29.8	20%	0.2	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-46.2	173.4	-65.2	165.9	0	0	0	110.2	I516 E699 E700 D701 Y705 H706 E707	I516-I703 HydrophobicContact CD1-CG1 4.43Å; E699-I703 HydrophobicContact CG-CD1 4.43Å; E699-I703 WeakPolarHBondContact O-CG1 3.43Å; E699-I703 PolarHBondContact O-N 3.46Å; E700-I703 PolarHBondContact O-N 3.39Å; D701-I703 VanDerWaalsContact C-N 3.32Å; D701-I703 PolarHBondContact O-N 3.45Å; I703-Y705 VanDerWaalsContact C-N 3.33Å; I703-Y705 PolarHBondContact O-N 2.98Å; I703-H706 PolarHBondContact O-N 3.46Å; I703-H706 VanDerWaalsContact O-N 3.13Å; I703-E707 HydrophobicContact CG2-CG 4.11Å; I703-E707 WeakPolarHBondContact O-CG 2.99Å; I703-E707 PolarHBondContact O-N 2.7Å
704	S	95.9	Very high	94.9	Very high	33 Å²	33	32.4 Å²	32.4	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-40.6	179.2	-178.7	0	0	0	0	112.9	K603 E700 D701 M708	K603-S704 WeakPolarHBondContact CE-OG 3.38Å; K603-S704 PolarHBondContact NZ-OG 2.87Å; E700-S704 WeakPolarHBondContact O-CB 3.32Å; E700-S704 PolarHBondContact O-N 3.49Å; D701-S704 CarbonylContact O-C 3.57Å; D701-S704 WeakPolarHBondContact O-CA 3.46Å; D701-S704 WeakPolarHBondContact O-CB 3.47Å; D701-S704 PolarHBondContact O-N 2.86Å; D701-S704 VanDerWaalsContact O-N 3.08Å; S704-M708 VanDerWaalsContact O-CB 3.31Å; S704-M708 WeakPolarHBondContact O-CB 3.45Å; S704-M708 PolarHBondContact O-N 3.4Å
705	Y	96.4	Very high	94.8	Very high	8 Å²	8	39.5 Å²	39.5	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-44	175.4	-73.8	-69.3	0	0	0	112.1	I538 K603 V606 I693 I697 D701 A702 I703 M708 I709	I538-Y705 HydrophobicContact CD1-CD1 3.94Å; I538-Y705 HydrophobicContact CD1-CD2 3.92Å; I538-Y705 HydrophobicContact CD1-CE1 3.6Å; I538-Y705 HydrophobicContact CD1-CE2 3.68Å; I538-Y705 HydrophobicContact CD1-CG 4.1Å; K603-Y705 WeakPolarHBondContact CA-OH 3.45Å; K603-Y705 HydrophobicContact CB-CE1 4.16Å; K603-Y705 HydrophobicContact CG-CE1 4.2Å; K603-Y705 PolarHBondContact N-OH 3.5Å; V606-Y705 HydrophobicContact CB-CD1 4.08Å; V606-Y705 HydrophobicContact CB-CE1 3.99Å; V606-Y705 HydrophobicContact CG1-CD1 4.06Å; V606-Y705 HydrophobicContact CG1-CE1 4.47Å; V606-Y705 HydrophobicContact CG2-CD1 4.21Å; V606-Y705 HydrophobicContact CG2-CE1 3.86Å; I693-Y705 HydrophobicContact CD1-CD2 4.46Å; I697-Y705 HydrophobicContact CD1-CE2 4.32Å; I697-Y705 HydrophobicContact CG2-CD2 4.38Å; I697-Y705 HydrophobicContact CG2-CE2 3.85Å; D701-Y705 HydrophobicContact CB-CD2 4.43Å; D701-Y705 HydrophobicContact CB-CE2 4.06Å; D701-Y705 WeakPolarHBondContact O-CD2 3.32Å; D701-Y705 PolarHBondContact O-N 2.89Å; A702-Y705 PolarHBondContact O-N 3.23Å; I703-Y705 VanDerWaalsContact C-N 3.33Å; I703-Y705 PolarHBondContact O-N 2.98Å; Y705-M708 HydrophobicContact CD1-CE 4.45Å; Y705-I709 PolarHBondContact O-N 3.12Å
706	H	95.6	Very high	94.7	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-47.8	177.3	165.8	-114.8	0	0	0	112	I516 S521 I523 A702 I703 M708 I709 R710	I516-H706 HydrophobicContact CD1-CB 4.3Å; I516-H706 WeakPolarHBondContact CD1-ND1 3.28Å; S521-H706 WeakPolarHBondContact CB-NE2 3.5Å; S521-H706 PolarHBondContact OG-NE2 3.04Å; I523-H706 HydrophobicContact CD1-CB 4.16Å; I523-H706 HydrophobicContact CG1-CB 3.97Å; A702-H706 PolarHBondContact O-N 3.4Å; I703-H706 PolarHBondContact O-N 3.46Å; I703-H706 VanDerWaalsContact O-N 3.13Å; H706-M708 PolarHBondContact O-N 2.93Å; H706-I709 WeakPolarHBondContact O-CG2 3.19Å; H706-I709 PolarHBondContact O-N 3.1Å; H706-R710 WeakPolarHBondContact O-CB 3.45Å; H706-R710 PolarHBondContact O-N 2.88Å
707	E	96	Very high	94.6	Very high	119 Å²	119	46.7 Å²	46.7	56%	0.556	23%	0.229	S	C	*	.	H	α-helix	trans	-58.8	-39.8	179.4	-74	-176.6	157.8	0	0	111.7	I703 G711	I703-E707 HydrophobicContact CG2-CG 4.11Å; I703-E707 WeakPolarHBondContact O-CG 2.99Å; I703-E707 PolarHBondContact O-N 2.7Å; E707-G711 WeakPolarHBondContact O-CA 3.45Å; E707-G711 PolarHBondContact O-N 3.5Å
708	M	96.1	Very high	94.6	Very high	31 Å²	31	51.6 Å²	51.6	15%	0.153	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-57.2	176.1	177.6	-170.6	75.4	0	0	112	V606 E607 A610 S704 Y705 H706 R710 G711 L712	V606-M708 HydrophobicContact CB-CE 4.06Å; V606-M708 HydrophobicContact CG1-CE 3.49Å; V606-M708 VanDerWaalsContact CG1-CE 3.49Å; E607-M708 WeakPolarHBondContact CA-SD 3.13Å; E607-M708 HydrophobicContact CB-CE 4.28Å; E607-M708 HydrophobicContact CB-SD 3.44Å; E607-M708 WeakPolarHBondContact CB-SD 3.48Å; E607-M708 HydrophobicContact CG-SD 3.65Å; A610-M708 HydrophobicContact CB-CE 4.4Å; S704-M708 VanDerWaalsContact O-CB 3.31Å; S704-M708 WeakPolarHBondContact O-CB 3.45Å; S704-M708 PolarHBondContact O-N 3.4Å; Y705-M708 HydrophobicContact CD1-CE 4.45Å; H706-M708 PolarHBondContact O-N 2.93Å; M708-R710 PolarHBondContact O-N 3.32Å; M708-G711 PolarHBondContact O-N 3.41Å; M708-L712 HydrophobicContact CG-CD1 4.26Å; M708-L712 WeakPolarHBondContact O-CG 3.34Å; M708-L712 PolarHBondContact O-N 2.98Å
709	I	95.2	Very high	94.8	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-42	-177.1	-167.2	172.7	0	0	0	111.6	F540 Y705 H706 L712 L713	F540-I709 HydrophobicContact CB-CD1 3.71Å; F540-I709 HydrophobicContact CD1-CD1 4.39Å; F540-I709 HydrophobicContact CD1-CG2 4Å; F540-I709 HydrophobicContact CD2-CD1 3.66Å; F540-I709 HydrophobicContact CD2-CG2 4.36Å; F540-I709 HydrophobicContact CE1-CG2 3.87Å; F540-I709 HydrophobicContact CE2-CD1 4.37Å; F540-I709 HydrophobicContact CE2-CG2 4.23Å; F540-I709 HydrophobicContact CG-CD1 3.66Å; F540-I709 HydrophobicContact CG-CG2 4.25Å; F540-I709 HydrophobicContact CZ-CG2 3.99Å; Y705-I709 PolarHBondContact O-N 3.12Å; H706-I709 WeakPolarHBondContact O-CG2 3.19Å; H706-I709 PolarHBondContact O-N 3.1Å; I709-L712 PolarHBondContact O-N 3.19Å; I709-L713 HydrophobicContact CG1-CD1 4.06Å; I709-L713 WeakPolarHBondContact O-CD1 3.4Å; I709-L713 WeakPolarHBondContact O-CG 3.26Å; I709-L713 PolarHBondContact O-N 2.81Å
710	R	95.9	Very high	94.9	Very high	104 Å²	104	54.2 Å²	54.2	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-62.4	-45.3	175.3	177.5	-178.4	165	-90.3	-0.9	110.7	M520 I689 H706 M708 L713 V714	M520-R710 HydrophobicContact SD-CG 4.37Å; I689-R710 HydrophobicContact CD1-CB 4.25Å; H706-R710 WeakPolarHBondContact O-CB 3.45Å; H706-R710 PolarHBondContact O-N 2.88Å; M708-R710 PolarHBondContact O-N 3.32Å; R710-L713 PolarHBondContact O-N 2.9Å; R710-V714 HydrophobicContact CG-CG2 4.35Å; R710-V714 WeakPolarHBondContact O-CB 3.16Å; R710-V714 VanDerWaalsContact O-CG2 3.31Å; R710-V714 WeakPolarHBondContact O-CG2 3.18Å; R710-V714 PolarHBondContact O-N 3.08Å
711	G	96	Very high	95	Very high	16 Å²	16	51.9 Å²	51.9	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-48	178.7	0	0	0	0	0	111.8	E707 M708 V714 Q715	E707-G711 WeakPolarHBondContact O-CA 3.45Å; E707-G711 PolarHBondContact O-N 3.5Å; M708-G711 PolarHBondContact O-N 3.41Å; G711-V714 PolarHBondContact O-N 2.95Å; G711-Q715 VanDerWaalsContact O-CB 3.24Å; G711-Q715 WeakPolarHBondContact O-CB 3.28Å; G711-Q715 WeakPolarHBondContact O-CG 3.39Å; G711-Q715 PolarHBondContact O-N 3.14Å
712	L	95.5	Very high	95	Very high	29 Å²	29	49.8 Å²	49.8	15%	0.152	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-47.4	176.8	-72.7	172.2	0	0	0	112	A610 V614 M708 I709 Q715 K716	A610-L712 HydrophobicContact CB-CD1 3.71Å; V614-L712 HydrophobicContact CG1-CB 3.91Å; V614-L712 HydrophobicContact CG2-CB 4.13Å; V614-L712 HydrophobicContact CG2-CD2 4.23Å; M708-L712 HydrophobicContact CG-CD1 4.26Å; M708-L712 WeakPolarHBondContact O-CG 3.34Å; M708-L712 PolarHBondContact O-N 2.98Å; I709-L712 PolarHBondContact O-N 3.19Å; L712-Q715 PolarHBondContact O-N 2.93Å; L712-K716 VanDerWaalsContact O-CB 3.25Å; L712-K716 WeakPolarHBondContact O-CB 3.38Å; L712-K716 PolarHBondContact O-N 3.26Å
713	L	94.9	Very high	94.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-44.7	179.2	-70.9	163.6	0	0	0	112.2	I542 F613 V614 I687 I689 I709 R710 M717 T718 S719	I542-L713 HydrophobicContact CD1-CD1 4.26Å; F613-L713 HydrophobicContact CE1-CD2 4.35Å; V614-L713 HydrophobicContact CG1-CD2 4.02Å; V614-L713 HydrophobicContact CG1-CG 4.34Å; I687-L713 HydrophobicContact CD1-CB 4.17Å; I687-L713 HydrophobicContact CD1-CD1 3.81Å; I687-L713 HydrophobicContact CD1-CD2 4.29Å; I687-L713 HydrophobicContact CD1-CG 4.32Å; I689-L713 HydrophobicContact CD1-CD1 3.7Å; I689-L713 HydrophobicContact CG1-CD1 4.38Å; I709-L713 HydrophobicContact CG1-CD1 4.06Å; I709-L713 WeakPolarHBondContact O-CD1 3.4Å; I709-L713 WeakPolarHBondContact O-CG 3.26Å; I709-L713 PolarHBondContact O-N 2.81Å; R710-L713 PolarHBondContact O-N 2.9Å; L713-M717 CarbonylContact O-C 3.51Å; L713-M717 WeakPolarHBondContact O-CA 3.32Å; L713-M717 VanDerWaalsContact O-CB 3.31Å; L713-M717 WeakPolarHBondContact O-CB 3.22Å; L713-M717 PolarHBondContact O-N 2.94Å; L713-T718 PolarHBondContact O-N 2.95Å; L713-S719 PolarHBondContact O-N 2.99Å; L713-S719 PolarHBondContact O-OG 2.97Å
714	V	95.5	Very high	94.2	Very high	56 Å²	56	55 Å²	55	34%	0.339	28%	0.279	S	S	.	.	H	α-helix	trans	-67.7	-44	178.9	173.4	0	0	0	0	111.5	M520 R710 G711 T718	M520-V714 HydrophobicContact CE-CG2 3.77Å; M520-V714 HydrophobicContact SD-CG2 3.88Å; R710-V714 HydrophobicContact CG-CG2 4.35Å; R710-V714 WeakPolarHBondContact O-CB 3.16Å; R710-V714 VanDerWaalsContact O-CG2 3.31Å; R710-V714 WeakPolarHBondContact O-CG2 3.18Å; R710-V714 PolarHBondContact O-N 3.08Å; G711-V714 PolarHBondContact O-N 2.95Å; V714-T718 VanDerWaalsContact O-CA 3.28Å; V714-T718 WeakPolarHBondContact O-CA 3.49Å; V714-T718 PolarHBondContact O-N 3.41Å
715	Q	94.2	Very high	93.6	Very high	150 Å²	150	58.2 Å²	58.2	70%	0.701	30%	0.302	S	S	*	.	H	α-helix	trans	-77.5	-38.2	-174.2	-68.8	174.7	11.5	0	0	113.1	G711 L712	G711-Q715 VanDerWaalsContact O-CB 3.24Å; G711-Q715 WeakPolarHBondContact O-CB 3.28Å; G711-Q715 WeakPolarHBondContact O-CG 3.39Å; G711-Q715 PolarHBondContact O-N 3.14Å; L712-Q715 PolarHBondContact O-N 2.93Å
716	K	92.8	Very high	93	Very high	123 Å²	123	62.3 Å²	62.3	54%	0.535	32%	0.321	S	S	.	.	H	α-helix	trans	-96	-40.5	-174.6	-63.9	-67.9	-172.7	169.8	0	113.1	V614 L712	V614-K716 HydrophobicContact CB-CB 4.02Å; V614-K716 HydrophobicContact CB-CG 4.46Å; V614-K716 HydrophobicContact CG2-CB 4.1Å; V614-K716 HydrophobicContact CG2-CG 3.98Å; L712-K716 VanDerWaalsContact O-CB 3.25Å; L712-K716 WeakPolarHBondContact O-CB 3.38Å; L712-K716 PolarHBondContact O-N 3.26Å
717	M	91.8	Very high	92.4	Very high	44 Å²	44	62.9 Å²	62.9	22%	0.217	32%	0.324	C	S	.	.	H	α-helix	trans	-99.3	-4.3	-178	-63.4	-63.2	-159.5	0	0	113.4	V614 H684 L713 S719	V614-M717 HydrophobicContact CB-CG 4.45Å; V614-M717 VanDerWaalsContact O-CE 3.3Å; V614-M717 WeakPolarHBondContact O-CE 3.4Å; H684-M717 HydrophobicContact CB-CB 3.99Å; H684-M717 HydrophobicContact CB-CG 4.34Å; L713-M717 CarbonylContact O-C 3.51Å; L713-M717 WeakPolarHBondContact O-CA 3.32Å; L713-M717 VanDerWaalsContact O-CB 3.31Å; L713-M717 WeakPolarHBondContact O-CB 3.22Å; L713-M717 PolarHBondContact O-N 2.94Å; M717-S719 PolarHBondContact O-N 3.29Å
718	T	93.2	Very high	91.4	Very high	106 Å²	106	61.3 Å²	61.3	65%	0.65	32%	0.319	S	S	*	.			trans	57.5	25.6	-177	66.3	0	0	0	0	114.2	L713 V714	L713-T718 PolarHBondContact O-N 2.95Å; V714-T718 VanDerWaalsContact O-CA 3.28Å; V714-T718 WeakPolarHBondContact O-CA 3.49Å; V714-T718 PolarHBondContact O-N 3.41Å
719	S	95.7	Very high	90.5	Very high	6 Å²	6	61.9 Å²	61.9	4%	0.042	32%	0.324	C	S	.	.			trans	-59.3	137.5	-176.2	-61.4	0	0	0	0	112.8	H684 L713 M717	H684-S719 WeakPolarHBondContact O-CA 3.43Å; H684-S719 VanDerWaalsContact O-CB 3.23Å; H684-S719 WeakPolarHBondContact O-CB 3.28Å; H684-S719 PolarHBondContact O-OG 2.79Å; L713-S719 PolarHBondContact O-N 2.99Å; L713-S719 PolarHBondContact O-OG 2.97Å; M717-S719 PolarHBondContact O-N 3.29Å
720	K	95.7	Very high	89.9	Confident	108 Å²	108	63.3 Å²	63.3	47%	0.47	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	160.2	176.3	-67.4	171.4	-173	166.1	0	110.8	E685 R686 I687 L722	E685-K720 PolarHBondContact O-N 2.83Å; R686-K720 WeakPolarHBondContact CA-O 3.34Å; I687-K720 PolarHBondContact N-O 3.36Å; K720-L722 PolarHBondContact O-N 3.44Å
721	P	95.4	Very high	89.6	Confident	52 Å²	52	63.7 Å²	63.7	34%	0.338	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	136.7	176.1	-20.6	31.2	0	0	0	112.4	D519 M520 R686	D519-P721 HydrophobicContact CB-CB 4.1Å; D519-P721 HydrophobicContact CB-CG 4.41Å; M520-P721 HydrophobicContact CB-CB 4.21Å; M520-P721 HydrophobicContact CB-CG 4.12Å; M520-P721 HydrophobicContact CG-CG 4.47Å; R686-P721 WeakPolarHBondContact CD-O 3.33Å; R686-P721 PolarHBondContact NH1-O 3.45Å
722	L	93.5	Very high	89.3	Confident	9 Å²	9	63 Å²	63	5%	0.047	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-80.3	140.2	165.3	-179.8	67.4	0	0	0	109.6	V543 P545 R686 I687 F688 K720 L724 H726 I727	V543-L722 HydrophobicContact CG1-CD2 4.12Å; P545-L722 HydrophobicContact CG-CD1 4.04Å; R686-L722 HydrophobicContact CB-CD1 4.31Å; I687-L722 PolarHBondContact O-N 2.85Å; F688-L722 HydrophobicContact CB-CB 4.23Å; F688-L722 HydrophobicContact CB-CD2 4.35Å; K720-L722 PolarHBondContact O-N 3.44Å; L722-L724 PolarHBondContact O-N 3.22Å; L722-H726 HydrophobicContact CD1-CB 3.78Å; L722-H726 HydrophobicContact CG-CB 4.17Å; L722-I727 HydrophobicContact CD2-CG1 4.13Å
723	L	89.6	Confident	89.1	Confident	112 Å²	112	61.6 Å²	61.6	59%	0.586	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-67.7	131	171.5	-67.5	173.9	0	0	0	109.6	S725 H726	L723-S725 PolarHBondContact O-N 3.44Å; L723-S725 VanDerWaalsContact O-N 3.09Å; L723-H726 WeakPolarHBondContact O-CB 3.33Å; L723-H726 PolarHBondContact O-N 3.22Å
724	L	83.8	Confident	89	Confident	35 Å²	35	63.8 Å²	63.8	18%	0.183	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-56.1	-31.1	-179	-64.9	175.7	0	0	0	113	F688 L722 H726 I727 R1002	F688-L724 HydrophobicContact CD2-CD2 3.92Å; F688-L724 HydrophobicContact CE2-CD2 3.6Å; F688-L724 HydrophobicContact CZ-CD2 3.97Å; L722-L724 PolarHBondContact O-N 3.22Å; L724-H726 PolarHBondContact O-N 2.98Å; L724-H726 VanDerWaalsContact O-N 3.12Å; L724-I727 HydrophobicContact CD2-CD1 3.74Å; L724-I727 WeakPolarHBondContact O-CB 3.42Å; L724-I727 PolarHBondContact O-N 2.68Å; L724-R1002 HydrophobicContact CD1-CB 3.39Å; L724-R1002 HydrophobicContact CD1-CG 4.36Å
725	S	83.8	Confident	88.7	Confident	102 Å²	102	61.1 Å²	61.1	71%	0.713	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-64.4	-13	175.2	61.2	0	0	0	0	114.5	L723	L723-S725 PolarHBondContact O-N 3.44Å; L723-S725 VanDerWaalsContact O-N 3.09Å
726	H	83.8	Confident	88.3	Confident	94 Å²	94	56.2 Å²	56.2	44%	0.435	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-95.1	-4	175.9	-61.2	170.7	0	0	0	113.4	L722 L723 L724 L728	L722-H726 HydrophobicContact CD1-CB 3.78Å; L722-H726 HydrophobicContact CG-CB 4.17Å; L723-H726 WeakPolarHBondContact O-CB 3.33Å; L723-H726 PolarHBondContact O-N 3.22Å; L724-H726 PolarHBondContact O-N 2.98Å; L724-H726 VanDerWaalsContact O-N 3.12Å; H726-L728 PolarHBondContact O-N 3.31Å; H726-L728 VanDerWaalsContact O-N 3.09Å
727	I	82.3	Confident	87.9	Confident	20 Å²	20	54.9 Å²	54.9	10%	0.103	29%	0.293	C	S	.	.	S	Bend	trans	-71.7	105.6	172.5	-59.8	177.5	0	0	0	107.4	V543 F688 L722 L724 T729	V543-I727 HydrophobicContact CG1-CG1 4.25Å; V543-I727 HydrophobicContact CG1-CG2 4.4Å; F688-I727 HydrophobicContact CB-CD1 4.37Å; F688-I727 HydrophobicContact CD1-CD1 3.76Å; F688-I727 HydrophobicContact CE1-CD1 4.12Å; F688-I727 HydrophobicContact CG-CD1 4Å; L722-I727 HydrophobicContact CD2-CG1 4.13Å; L724-I727 HydrophobicContact CD2-CD1 3.74Å; L724-I727 WeakPolarHBondContact O-CB 3.42Å; L724-I727 PolarHBondContact O-N 2.68Å; I727-T729 PolarHBondContact O-N 3.49Å
728	L	74.6	Confident	86.5	Confident	86 Å²	86	53.1 Å²	53.1	45%	0.45	29%	0.287	S	S	.	.			trans	-70.6	119.5	-177.9	-64.8	173.8	0	0	0	109.7	H726	H726-L728 PolarHBondContact O-N 3.31Å; H726-L728 VanDerWaalsContact O-N 3.09Å
729	T	78.5	Confident	84.5	Confident	43 Å²	43	52.3 Å²	52.3	26%	0.264	28%	0.278	S	S	.	.			trans	-114.4	130.3	169.9	38.5	0	0	0	0	108.5	I727 L985	I727-T729 PolarHBondContact O-N 3.49Å; T729-L985 WeakPolarHBondContact O-CD2 3.22Å; T729-L985 WeakPolarHBondContact OG1-CD1 3.49Å; T729-L985 WeakPolarHBondContact OG1-CD2 3.36Å
730	S	81.3	Confident	81.7	Confident	35 Å²	35	55.3 Å²	55.3	25%	0.245	30%	0.298	C	S	.	.			trans	-73.1	136.9	-175.4	-66.4	0	0	0	0	112	D656 N831	D656-S730 WeakPolarHBondContact OD1-CA 3.26Å; S730-N831 WeakPolarHBondContact O-CB 3.45Å; S730-N831 PolarHBondContact O-ND2 3.19Å; S730-N831 PolarHBondContact O-OD1 2.85Å
731	R	89.2	Confident	78.5	Confident	111 Å²	111	56.3 Å²	56.3	42%	0.419	31%	0.306	S	S	.	.			trans	-100.3	166.2	167	-57.9	171	-172	-166.4	4.5	109.6	D656 L982 S983 L985	D656-R731 HydrophobicContact CB-CB 4.21Å; D656-R731 PolarHBondContact N-O 3.42Å; D656-R731 PolarHBondContact OD1-N 3Å; D656-R731 WeakPolarHBondContact OD2-CB 3.2Å; D656-R731 PolarHBondContact OD2-N 2.68Å; R731-L982 HydrophobicContact CB-CB 4.17Å; R731-S983 WeakPolarHBondContact CD-O 3.25Å; R731-S983 WeakPolarHBondContact CG-O 3.28Å; R731-L985 HydrophobicContact CG-CD2 3.64Å; R731-L985 HydrophobicContact CG-CG 4.33Å
732	E	90.6	Very high	75.3	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-123.8	147.8	178.5	-73.2	175.5	-133.8	0	0	112.9	I654 I734 S830 N831 L833 L982 S983	I654-E732 CarbonylContact O-C 3.48Å; I654-E732 WeakPolarHBondContact O-CA 3.28Å; E732-I734 PolarHBondContact O-N 2.95Å; E732-S830 VanDerWaalsContact CD-OG 3.31Å; E732-S830 WeakPolarHBondContact OE1-CA 3.41Å; E732-S830 WeakPolarHBondContact OE1-CB 3.3Å; E732-S830 PolarHBondContact OE1-OG 3.15Å; E732-N831 WeakPolarHBondContact OE1-CB 3.32Å; E732-N831 PolarHBondContact OE1-N 3.35Å; E732-N831 PolarHBondContact OE1-ND2 3.34Å; E732-L833 HydrophobicContact CB-CD1 3.79Å; E732-L833 HydrophobicContact CB-CG 4.25Å; E732-L982 CarbonylContact O-C 3.57Å; E732-L982 WeakPolarHBondContact O-CA 3.49Å; E732-S983 PolarHBondContact N-OG 2.81Å; E732-S983 VanDerWaalsContact N-OG 3.12Å; E732-S983 PolarHBondContact O-N 2.91Å
733	V	91.7	Very high	72	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-65.7	126.6	174.5	-179.8	0	0	0	0	109.8	I654 I735 Q786 L976 K977 C980 L982	I654-V733 PolarHBondContact O-N 3.35Å; V733-I735 PolarHBondContact O-N 2.87Å; V733-Q786 PolarHBondContact O-NE2 3.12Å; V733-L976 HydrophobicContact CG1-CD2 4.17Å; V733-L976 HydrophobicContact CG1-CG 3.97Å; V733-K977 HydrophobicContact CG2-CB 4.2Å; V733-K977 HydrophobicContact CG2-CG 3.88Å; V733-C980 HydrophobicContact CG1-CB 3.37Å; V733-L982 HydrophobicContact CG2-CD2 3.81Å
734	I	91.9	Very high	69.1	Low	46 Å²	46	70.2 Å²	70.2	24%	0.236	38%	0.375	C	S	.	.			trans	-84	105.8	170.3	-61.4	171	0	0	0	107.4	E732 L833 P981	E732-I734 PolarHBondContact O-N 2.95Å; I734-L833 HydrophobicContact CG1-CD1 4.25Å; I734-P981 HydrophobicContact CB-CG 4.17Å; I734-P981 PolarHBondContact N-O 3.22Å
735	I	89.8	Confident	66.4	Low	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-70	127.3	-178.1	-64.3	164	0	0	0	108.8	V733 F767 Y784 Q786 R942 L944 L976	V733-I735 PolarHBondContact O-N 2.87Å; I735-F767 HydrophobicContact CG2-CD2 3.89Å; I735-F767 HydrophobicContact CG2-CE2 4.13Å; I735-Y784 HydrophobicContact CD1-CD1 3.96Å; I735-Y784 HydrophobicContact CD1-CE1 3.92Å; I735-Q786 HydrophobicContact CD1-CB 4.16Å; I735-R942 HydrophobicContact CB-CB 4.14Å; I735-R942 HydrophobicContact CG2-CB 4.13Å; I735-R942 WeakPolarHBondContact O-CD 3.21Å; I735-R942 WeakPolarHBondContact O-CG 3.35Å; I735-R942 PolarHBondContact O-NH1 2.9Å; I735-L944 HydrophobicContact CD1-CB 3.64Å; I735-L944 HydrophobicContact CD1-CD2 4.14Å; I735-L976 HydrophobicContact CG1-CD2 4.44Å
736	P	86.1	Confident	63.8	Low	47 Å²	47	76 Å²	76	31%	0.305	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-53.8	153	179.8	-28.7	34.9	0	0	0	115	F767 C980	P736-F767 HydrophobicContact CB-CE2 4.2Å; P736-F767 HydrophobicContact CB-CZ 4.44Å; P736-F767 HydrophobicContact CG-CE2 3.92Å; P736-F767 HydrophobicContact CG-CZ 3.86Å; P736-C980 VanDerWaalsContact CD-SG 3.51Å
737	E	84.3	Confident	61.2	Low	95 Å²	95	79.2 Å²	79.2	44%	0.444	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-77.6	140.6	174.3	-61.2	-178.5	167.7	0	0	110.9	R941 R942	E737-R941 WeakPolarHBondContact CA-O 3.32Å; E737-R942 VanDerWaalsContact CD-NH2 3.28Å; E737-R942 HydrophobicContact CG-CG 4.2Å; E737-R942 IonicContact OE1-CZ 3.79Å; E737-R942 IonicContact OE1-NE 2.67Å; E737-R942 IonicContact OE1-NH2 3.82Å; E737-R942 PolarHBondContact OE1-NH2 3.39Å
738	G	62.4	Low	59	Low	8 Å²	8	83.2 Å²	83.2	8%	0.082	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-86.7	137.2	177.4	0	0	0	0	0	113.4	L764 C939 R941	G738-L764 WeakPolarHBondContact CA-O 3.39Å; G738-C939 CarbonylContact O-C 3.54Å; G738-C939 VanDerWaalsContact O-CA 3.31Å; G738-C939 WeakPolarHBondContact O-CA 3.26Å; G738-R941 PolarHBondContact N-O 3.39Å
739	N	50	Low	57	Low	89 Å²	89	87.9 Å²	87.9	48%	0.476	47%	0.469	S	S	.	.			trans	-121.3	115.4	-164.3	-162.6	-3.7	0	0	0	113.6	P763 L764	N739-P763 HydrophobicContact CB-CB 4.43Å; N739-P763 WeakPolarHBondContact O-CB 3.35Å; N739-L764 PolarHBondContact N-O 2.97Å
740	P	37.8	Very low	54.9	Low	69 Å²	69	94.3 Å²	94.3	45%	0.448	50%	0.5	S	S	.	.			trans	-103.5	102.7	159	27.8	-13.1	0	0	0	111
741	I	28.7	Very low	52.5	Low	128 Å²	128	96.8 Å²	96.8	66%	0.656	52%	0.523	S	S	*	.	S	Bend	trans	69.9	105.6	152.8	-41.7	176.4	0	0	0	117.5
742	F	26.9	Very low	49.7	Very low	180 Å²	180	99.4 Å²	99.4	79%	0.789	55%	0.545	S	S	*	.				168.1	107.4	112.8	-97.5	-75.3	0	0	0	110.1
743	V	24.4	Very low	47	Very low	139 Å²	139	105.8 Å²	105.8	84%	0.842	59%	0.589	S	S	*	*			trans	-89.1	114.2	164.1	176.2	0	0	0	0	108
744	L	28.5	Very low	44.4	Very low	147 Å²	147	111.9 Å²	111.9	77%	0.77	62%	0.62	S	S	*	*			trans	-111.1	105.9	160.4	-82.9	168.5	0	0	0	108.7
745	F	27.9	Very low	41.6	Very low	182 Å²	182	117.8 Å²	117.8	80%	0.798	65%	0.646	S	S	*	*			trans	27.1	125.9	149.8	-67	-83.1	0	0	0	122.2
746	A	28.2	Very low	38.9	Very low	76 Å²	76	122.9 Å²	122.9	63%	0.628	68%	0.68	S	S	*	*				95.2	121	121.5	0	0	0	0	0	120.8
747	N	30.5	Very low	36.6	Very low	162 Å²	162	128.4 Å²	128.4	87%	0.866	71%	0.707	S	S	*	*			trans	68.2	134.5	150.8	-60.6	-21.2	0	0	0	115.6
748	S	35.9	Very low	34.6	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	71%	0.709	S	S	*	*			cis	-168.2	143	24.7	44.5	0	0	0	0	108.7
749	Q	32.1	Very low	33.6	Very low	184 Å²	184	134 Å²	134	86%	0.86	74%	0.736	S	S	*	*			trans	43.5	106.7	148.7	-61.3	-179	-2.8	0	0	118.1
750	I	34.6	Very low	32.8	Very low	179 Å²	179	137.6 Å²	137.6	92%	0.918	76%	0.756	S	S	*	*			trans	160.8	89.6	139.6	-75.3	146.3	0	0	0	106.4
751	A	31.3	Very low	32.8	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	76%	0.757	S	S	*	*			trans	-167.8	57.9	165.9	0	0	0	0	0	111.6
752	N	30.9	Very low	33.2	Very low	166 Å²	166	137.3 Å²	137.3	89%	0.888	75%	0.753	S	S	*	*			trans	-100.4	97	162.9	-80.4	-17.8	0	0	0	107.3
753	C	33.8	Very low	33.8	Very low	135 Å²	135	132.7 Å²	132.7	91%	0.912	74%	0.741	S	S	*	*	S	Bend	trans	178	3.6	158.9	-97.6	0	0	0	0	114.2
754	I	36.4	Very low	35	Very low	128 Å²	128	128.2 Å²	128.2	66%	0.656	71%	0.712	S	S	*	*	S	Bend	trans	-104.1	129.3	178.3	-56.8	177.3	0	0	0	108.8	P756 L759	I754-P756 WeakPolarHBondContact O-CD 3.14Å; I754-L759 HydrophobicContact CG2-CD1 4.26Å
755	Q	32.6	Very low	36.6	Very low	169 Å²	169	123.8 Å²	123.8	79%	0.79	69%	0.689	S	S	*	*			trans	-49.5	119.8	174.1	-78.7	-167.6	-23.5	0	0	110.3	N757	Q755-N757 VanDerWaalsContact C-N 3.25Å; Q755-N757 PolarHBondContact O-N 3.28Å
756	P	33.2	Very low	39.2	Very low	108 Å²	108	115.7 Å²	115.7	70%	0.701	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-73.9	7.3	-167.6	-19.4	32.3	0	0	0	117.3	I754	I754-P756 WeakPolarHBondContact O-CD 3.14Å
757	N	38.4	Very low	42	Very low	163 Å²	163	113 Å²	113	87%	0.872	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-99.9	9.2	-169.8	-76.5	-3	0	0	0	115.8	Q755	Q755-N757 VanDerWaalsContact C-N 3.25Å; Q755-N757 PolarHBondContact O-N 3.28Å
758	L	43.2	Very low	44.8	Very low	95 Å²	95	105.4 Å²	105.4	50%	0.497	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-121.9	11.3	177.5	-89	152.1	0	0	0	113.5	F761	L758-F761 HydrophobicContact CD2-CE2 3.93Å; L758-F761 HydrophobicContact CD2-CZ 4.07Å; L758-F761 WeakPolarHBondContact O-CD2 3.25Å; L758-F761 WeakPolarHBondContact O-CE2 3.43Å
759	L	40.7	Very low	47.5	Very low	124 Å²	124	101 Å²	101	65%	0.649	56%	0.556	S	S	*	*			trans	-107.2	14.9	-171.5	-82.7	159.2	0	0	0	115.1	I754	I754-L759 HydrophobicContact CG2-CD1 4.26Å
760	N	32.2	Very low	50.2	Low	166 Å²	166	94 Å²	94	89%	0.888	52%	0.524	S	S	*	.			trans	-104.8	39.4	177	-83.8	-5.6	0	0	0	113.3	S762	N760-S762 PolarHBondContact O-N 3.25Å
761	F	39.2	Very low	52.8	Low	110 Å²	110	90.3 Å²	90.3	48%	0.482	50%	0.498	S	S	.	.			trans	-84.2	115.2	175.4	-69.5	-70.1	0	0	0	110.6	L758 L764 I968	L758-F761 HydrophobicContact CD2-CE2 3.93Å; L758-F761 HydrophobicContact CD2-CZ 4.07Å; L758-F761 WeakPolarHBondContact O-CD2 3.25Å; L758-F761 WeakPolarHBondContact O-CE2 3.43Å; F761-L764 HydrophobicContact CB-CD1 3.57Å; F761-L764 HydrophobicContact CB-CD2 3.81Å; F761-L764 HydrophobicContact CB-CG 3.7Å; F761-L764 HydrophobicContact CD1-CD1 4.3Å; F761-L764 HydrophobicContact CD1-CD2 3.77Å; F761-L764 HydrophobicContact CD1-CG 4.47Å; F761-L764 HydrophobicContact CD2-CD1 4.35Å; F761-L764 HydrophobicContact CG-CD1 3.83Å; F761-L764 HydrophobicContact CG-CD2 4.05Å; F761-L764 HydrophobicContact CG-CG 4.27Å; F761-I968 HydrophobicContact CD1-CD1 4.28Å; F761-I968 HydrophobicContact CE1-CD1 4.2Å; F761-I968 HydrophobicContact CE1-CG1 4.45Å
762	S	36.5	Very low	55.4	Low	81 Å²	81	92.6 Å²	92.6	57%	0.566	49%	0.489	S	S	*	.			trans	-51.9	159.3	159.2	55.3	0	0	0	0	110.1	N760 L764	N760-S762 PolarHBondContact O-N 3.25Å; S762-L764 WeakPolarHBondContact O-CG 3.13Å; S762-L764 PolarHBondContact O-N 3.47Å
763	P	39.4	Very low	57.7	Low	82 Å²	82	85.1 Å²	85.1	53%	0.532	45%	0.449	S	S	.	.	S	Bend	trans	-52.2	112.4	-172.6	-13.4	24.4	0	0	0	110	N739	N739-P763 HydrophobicContact CB-CB 4.43Å; N739-P763 WeakPolarHBondContact O-CB 3.35Å
764	L	50.6	Low	59.6	Low	46 Å²	46	82 Å²	82	24%	0.241	43%	0.428	C	S	.	.			trans	-85.7	131.4	-169	-68.8	173.4	0	0	0	108.8	G738 N739 F761 S762 I968	G738-L764 WeakPolarHBondContact CA-O 3.39Å; N739-L764 PolarHBondContact N-O 2.97Å; F761-L764 HydrophobicContact CB-CD1 3.57Å; F761-L764 HydrophobicContact CB-CD2 3.81Å; F761-L764 HydrophobicContact CB-CG 3.7Å; F761-L764 HydrophobicContact CD1-CD1 4.3Å; F761-L764 HydrophobicContact CD1-CD2 3.77Å; F761-L764 HydrophobicContact CD1-CG 4.47Å; F761-L764 HydrophobicContact CD2-CD1 4.35Å; F761-L764 HydrophobicContact CG-CD1 3.83Å; F761-L764 HydrophobicContact CG-CD2 4.05Å; F761-L764 HydrophobicContact CG-CG 4.27Å; S762-L764 WeakPolarHBondContact O-CG 3.13Å; S762-L764 PolarHBondContact O-N 3.47Å; L764-I968 HydrophobicContact CB-CD1 4.49Å; L764-I968 HydrophobicContact CD1-CD1 3.57Å; L764-I968 HydrophobicContact CD2-CD1 3.27Å; L764-I968 HydrophobicContact CD2-CG1 3.56Å; L764-I968 HydrophobicContact CG-CD1 3.93Å
765	D	62	Low	61.1	Low	54 Å²	54	78.4 Å²	78.4	29%	0.289	42%	0.423	S	S	.	.			trans	-110.4	-21.6	-177.8	-72.8	-7.8	0	0	0	113.7	K966	D765-K966 HydrophobicContact CB-CB 3.89Å; D765-K966 HydrophobicContact CB-CD 4.19Å; D765-K966 PolarHBondContact N-O 3.22Å; D765-K966 WeakPolarHBondContact OD2-CD 3.39Å; D765-K966 WeakPolarHBondContact OD2-CE 3.38Å; D765-K966 IonicContact OD2-NZ 3.54Å; D765-K966 PolarHBondContact OD2-NZ 3.03Å
766	S	81.6	Confident	63.1	Low	12 Å²	12	70.6 Å²	70.6	8%	0.084	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	164.2	175	55	0	0	0	0	115.4	K966 I968	S766-K966 PolarHBondContact N-O 3.37Å; S766-I968 PolarHBondContact O-N 2.89Å
767	F	87.8	Confident	65.1	Low	19 Å²	19	68 Å²	68	8%	0.083	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.8	172.7	-63.9	-92.2	0	0	0	111.6	I735 P736 K943 L944 T945 I968 L970 L976	I735-F767 HydrophobicContact CG2-CD2 3.89Å; I735-F767 HydrophobicContact CG2-CE2 4.13Å; P736-F767 HydrophobicContact CB-CE2 4.2Å; P736-F767 HydrophobicContact CB-CZ 4.44Å; P736-F767 HydrophobicContact CG-CE2 3.92Å; P736-F767 HydrophobicContact CG-CZ 3.86Å; F767-K943 PolarHBondContact N-O 2.92Å; F767-K943 VanDerWaalsContact N-O 3.11Å; F767-L944 HydrophobicContact CB-CD1 3.69Å; F767-L944 WeakPolarHBondContact O-CA 3.5Å; F767-T945 PolarHBondContact O-N 2.91Å; F767-T945 PolarHBondContact O-OG1 3.44Å; F767-I968 HydrophobicContact CD1-CB 3.99Å; F767-I968 HydrophobicContact CD1-CD1 4.16Å; F767-I968 HydrophobicContact CD1-CG2 4.2Å; F767-I968 HydrophobicContact CE1-CB 4.26Å; F767-I968 HydrophobicContact CE1-CD1 3.58Å; F767-I968 HydrophobicContact CE1-CG2 4.38Å; F767-I968 HydrophobicContact CZ-CD1 3.97Å; F767-L970 HydrophobicContact CB-CD1 4.44Å; F767-L970 HydrophobicContact CD1-CD2 3.95Å; F767-L970 HydrophobicContact CD1-CG 4.45Å; F767-L976 HydrophobicContact CB-CD1 4.48Å; F767-L976 HydrophobicContact CD1-CD1 3.6Å; F767-L976 HydrophobicContact CD2-CD1 4.29Å; F767-L976 HydrophobicContact CE1-CD1 3.8Å; F767-L976 HydrophobicContact CE2-CD1 4.49Å; F767-L976 HydrophobicContact CG-CD1 3.86Å; F767-L976 HydrophobicContact CZ-CD1 4.26Å
768	L	89.5	Confident	67.3	Low	3 Å²	3	60.7 Å²	60.7	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.8	178.5	169.9	59.4	0	0	0	110.3	Q770 T945 H947 H963 V967 I968 V969 L970	L768-Q770 HydrophobicContact CD1-CG 3.88Å; L768-Q770 HydrophobicContact CD2-CG 3.79Å; L768-Q770 HydrophobicContact CG-CG 3.7Å; L768-T945 CarbonylContact C-O 3.56Å; L768-T945 WeakPolarHBondContact CA-O 3.45Å; L768-T945 WeakPolarHBondContact CD1-OG1 3.32Å; L768-H947 HydrophobicContact CD1-CB 4.1Å; L768-H947 VanDerWaalsContact CD1-CG 3.45Å; L768-H947 WeakPolarHBondContact CD1-ND1 3.28Å; L768-H963 WeakPolarHBondContact CD2-CE1 3.31Å; L768-V967 HydrophobicContact CB-CG1 3.43Å; L768-V967 VanDerWaalsContact CB-CG1 3.43Å; L768-V967 HydrophobicContact CD2-CG1 4.12Å; L768-V967 HydrophobicContact CG-CG1 4.42Å; L768-I968 PolarHBondContact N-O 3.4Å; L768-V969 HydrophobicContact CD2-CG2 4.29Å; L768-V969 CarbonylContact O-C 3.49Å; L768-V969 WeakPolarHBondContact O-CA 3.33Å; L768-L970 WeakPolarHBondContact O-CB 3.14Å; L768-L970 PolarHBondContact O-N 3.36Å
769	Y	90.9	Very high	69.5	Low	10 Å²	10	56.2 Å²	56.2	4%	0.039	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.3	165.5	179	-108.6	0	0	0	109.9	Y649 L653 R771 T945 V946 H947 L970	Y649-Y769 AromaticContact CD1-CE1 3.94Å; Y649-Y769 HydrophobicContact CD1-CE1 3.94Å; Y649-Y769 HydrophobicContact CD2-CE1 4.36Å; Y649-Y769 HydrophobicContact CG-CD1 4.49Å; Y649-Y769 AromaticContact CG-CE1 3.84Å; Y649-Y769 HydrophobicContact CG-CE1 3.84Å; L653-Y769 HydrophobicContact CD1-CD1 3.95Å; L653-Y769 HydrophobicContact CD1-CG 3.86Å; L653-Y769 HydrophobicContact CD2-CD2 4.37Å; L653-Y769 HydrophobicContact CD2-CG 4.27Å; Y769-R771 HydrophobicContact CE1-CB 4.36Å; Y769-T945 PolarHBondContact N-O 3.15Å; Y769-V946 HydrophobicContact CD1-CG1 4.14Å; Y769-V946 CarbonylContact O-C 3.58Å; Y769-V946 WeakPolarHBondContact O-CA 3.46Å; Y769-H947 PolarHBondContact O-N 3.12Å; Y769-L970 HydrophobicContact CD2-CB 4.24Å
770	Q	90.1	Very high	72	Confident	37 Å²	37	50.3 Å²	50.3	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.6	-179.9	-57.3	-166	-79.8	0	0	111.5	L768 H947 L949 H963	L768-Q770 HydrophobicContact CD1-CG 3.88Å; L768-Q770 HydrophobicContact CD2-CG 3.79Å; L768-Q770 HydrophobicContact CG-CG 3.7Å; Q770-H947 CarbonylContact C-O 3.5Å; Q770-H947 WeakPolarHBondContact CA-O 3.31Å; Q770-H947 HydrophobicContact CG-CB 4.21Å; Q770-L949 HydrophobicContact CB-CD1 4.01Å; Q770-L949 HydrophobicContact CG-CD1 4.43Å; Q770-H963 PolarHBondContact NE2-CE1 3.18Å; Q770-H963 VanDerWaalsContact NE2-CE1 3.32Å; Q770-H963 PolarHBondContact OE1-NE2 3.15Å
771	R	87.8	Confident	75	Confident	102 Å²	102	42.4 Å²	42.4	39%	0.385	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.9	170.2	-163.2	61.1	172.8	175.5	-3.3	111.2	Y649 D662 Y769 H947 V948 L949	Y649-R771 HydrophobicContact CE2-CB 4.08Å; Y649-R771 HydrophobicContact CE2-CG 4.07Å; D662-R771 IonicContact OD2-NH2 3.29Å; Y769-R771 HydrophobicContact CE1-CB 4.36Å; R771-H947 PolarHBondContact N-O 3.45Å; R771-V948 CarbonylContact O-C 3.52Å; R771-V948 WeakPolarHBondContact O-CA 3.32Å; R771-L949 PolarHBondContact O-N 3.49Å
772	Y	86.5	Confident	77.7	Confident	135 Å²	135	38 Å²	38	53%	0.529	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.5	173.7	-68.2	-93.8	0	0	0	109.8	L949	Y772-L949 CarbonylContact C-O 3.5Å; Y772-L949 WeakPolarHBondContact CA-O 3.49Å; Y772-L949 HydrophobicContact CD1-CB 3.78Å; Y772-L949 HydrophobicContact CE1-CB 3.91Å; Y772-L949 HydrophobicContact CE1-CD1 4.44Å; Y772-L949 HydrophobicContact CE1-CD2 3.96Å; Y772-L949 HydrophobicContact CE1-CG 4.32Å; Y772-L949 HydrophobicContact CE2-CD1 4.49Å; Y772-L949 HydrophobicContact CG-CB 4.4Å
773	I	80.1	Confident	80.5	Confident	9 Å²	9	34.2 Å²	34.2	5%	0.046	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.8	-179.6	61.2	164.2	0	0	0	110.8	A642 Q776 V948 L949 N951	A642-I773 HydrophobicContact CB-CD1 3.92Å; I773-Q776 HydrophobicContact CD1-CB 3.7Å; I773-Q776 HydrophobicContact CD1-CG 3.8Å; I773-V948 HydrophobicContact CB-CG1 4.38Å; I773-V948 HydrophobicContact CD1-CG1 3.56Å; I773-V948 HydrophobicContact CG1-CG1 3.8Å; I773-V948 HydrophobicContact CG2-CG1 3.67Å; I773-L949 WeakPolarHBondContact CG1-O 3.4Å; I773-L949 PolarHBondContact N-O 3.13Å; I773-N951 PolarHBondContact O-N 3.29Å; I773-N951 VanDerWaalsContact O-N 3.08Å
774	S	72.1	Confident	83.1	Confident	68 Å²	68	30.3 Å²	30.3	48%	0.476	16%	0.164	S	C	.	.	S	Bend	trans	-105.9	144.1	175.7	55.8	0	0	0	0	110.8
775	G	68.5	Low	85.2	Confident	53 Å²	53	28.1 Å²	28.1	55%	0.546	15%	0.152	S	C	.	.	S	Bend	trans	89.7	2.3	170.8	0	0	0	0	0	115.8
776	Q	74.4	Confident	86.8	Confident	6 Å²	6	25.7 Å²	25.7	3%	0.028	14%	0.139	C	C	.	.			trans	-114.7	132.3	173	-64.9	-64.3	-51.3	0	0	109.6	S158 M639 I773 A778 S950	S158-Q776 PolarHBondContact OG-OE1 3.28Å; M639-Q776 PolarHBondContact O-NE2 2.89Å; I773-Q776 HydrophobicContact CD1-CB 3.7Å; I773-Q776 HydrophobicContact CD1-CG 3.8Å; Q776-A778 VanDerWaalsContact C-N 3.33Å; Q776-A778 PolarHBondContact O-N 2.81Å; Q776-S950 VanDerWaalsContact O-CB 3.27Å; Q776-S950 WeakPolarHBondContact O-CB 3.47Å; Q776-S950 PolarHBondContact O-OG 2.88Å
777	P	75.2	Confident	87.4	Confident	54 Å²	54	25.1 Å²	25.1	35%	0.351	14%	0.135	S	C	.	.	S	Bend	trans	-74.8	-23.5	-178.2	29.2	-34.4	0	0	0	113.5
778	A	85.3	Confident	87.5	Confident	9 Å²	9	25.3 Å²	25.3	7%	0.074	14%	0.143	C	C	.	.			trans	-109.8	149.8	-174.6	0	0	0	0	0	112.5	A642 Q776 Q841 S842	A642-A778 WeakPolarHBondContact CB-O 3.46Å; Q776-A778 VanDerWaalsContact C-N 3.33Å; Q776-A778 PolarHBondContact O-N 2.81Å; A778-Q841 HydrophobicContact CB-CG 3.71Å; A778-S842 CarbonylContact C-O 3.55Å; A778-S842 WeakPolarHBondContact CA-O 3.27Å
779	S	90.1	Very high	87.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	167.4	169.8	-60.1	0	0	0	0	111	Q841 S842 V948 S950 H954	S779-Q841 CarbonylContact O-C 3.48Å; S779-Q841 WeakPolarHBondContact O-CA 3.37Å; S779-Q841 WeakPolarHBondContact O-CG 3.39Å; S779-S842 PolarHBondContact N-O 3.15Å; S779-S842 PolarHBondContact O-N 2.91Å; S779-V948 CarbonylContact C-O 3.6Å; S779-V948 WeakPolarHBondContact CA-O 3.48Å; S779-V948 WeakPolarHBondContact CB-O 3.39Å; S779-S950 PolarHBondContact OG-N 3.12Å; S779-H954 PolarHBondContact OG-CD2 3.34Å; S779-H954 VanDerWaalsContact OG-CD2 3.25Å; S779-H954 PolarHBondContact OG-NE2 2.96Å
780	A	92.7	Very high	87.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.5	173.6	0	0	0	0	0	112.8	A642 V840 V948	A642-A780 VanDerWaalsContact C-CB 3.44Å; A642-A780 HydrophobicContact CB-CB 3.64Å; A780-V840 CarbonylContact C-O 3.54Å; A780-V840 WeakPolarHBondContact CA-O 3.47Å; A780-V840 WeakPolarHBondContact CB-O 3.3Å; A780-V948 PolarHBondContact N-O 2.97Å; A780-V948 PolarHBondContact O-N 2.79Å
781	I	94.5	Very high	87.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.4	168.8	-179.8	168.6	0	0	0	109.5	Y783 L839 V840 P846 I849 D850 I853 V946 H947	I781-Y783 HydrophobicContact CD1-CD2 4.28Å; I781-L839 WeakPolarHBondContact O-CA 3.31Å; I781-L839 WeakPolarHBondContact O-CD1 3.42Å; I781-V840 HydrophobicContact CG2-CB 3.85Å; I781-V840 HydrophobicContact CG2-CG2 4.41Å; I781-V840 PolarHBondContact N-O 3.04Å; I781-V840 PolarHBondContact O-N 3.49Å; I781-V840 VanDerWaalsContact O-N 3.08Å; I781-P846 HydrophobicContact CB-CB 4.43Å; I781-I849 HydrophobicContact CG2-CB 3.87Å; I781-I849 HydrophobicContact CG2-CD1 4.1Å; I781-I849 HydrophobicContact CG2-CG2 3.45Å; I781-I849 VanDerWaalsContact CG2-CG2 3.45Å; I781-D850 HydrophobicContact CD1-CB 3.74Å; I781-I853 HydrophobicContact CD1-CD1 4.39Å; I781-I853 HydrophobicContact CG2-CD1 4.29Å; I781-V946 WeakPolarHBondContact CA-O 3.21Å; I781-H947 VanDerWaalsContact CD1-NE2 3.34Å; I781-H947 WeakPolarHBondContact CD1-NE2 3.26Å
782	Y	95.2	Very high	87.9	Confident	19 Å²	19	28 Å²	28	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	105	162.7	-155	-61	0	0	0	108.3	L650 R837 L839 T945 V946	L650-Y782 HydrophobicContact CD2-CD1 3.46Å; L650-Y782 VanDerWaalsContact CD2-CD1 3.46Å; L650-Y782 HydrophobicContact CD2-CE1 3.09Å; L650-Y782 HydrophobicContact CD2-CE2 4.33Å; L650-Y782 HydrophobicContact CD2-CG 4.2Å; L650-Y782 HydrophobicContact CG-CD1 4.47Å; L650-Y782 HydrophobicContact CG-CE1 4.41Å; Y782-R837 HydrophobicContact CD1-CB 4.33Å; Y782-R837 HydrophobicContact CE1-CB 3.54Å; Y782-R837 HydrophobicContact CE1-CG 4.27Å; Y782-R837 VanDerWaalsContact CZ-CD 3.41Å; Y782-R837 WeakPolarHBondContact OH-CD 3.49Å; Y782-L839 HydrophobicContact CD2-CD1 3.83Å; Y782-L839 HydrophobicContact CD2-CD2 4.4Å; Y782-L839 HydrophobicContact CE2-CD2 4.48Å; Y782-L839 HydrophobicContact CG-CD1 4.28Å; Y782-T945 WeakPolarHBondContact O-CA 3.46Å; Y782-V946 PolarHBondContact N-O 2.6Å; Y782-V946 PolarHBondContact O-N 3.35Å
783	Y	95.4	Very high	88.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.8	-179.9	-169.7	-80.6	0	0	0	109.1	I781 L785 R837 I838 I853 E854 L857 R941 K943 T945	I781-Y783 HydrophobicContact CD1-CD2 4.28Å; Y783-L785 HydrophobicContact CD1-CD2 4.49Å; Y783-L785 HydrophobicContact CD1-CG 4.21Å; Y783-L785 HydrophobicContact CE1-CD1 3.89Å; Y783-L785 HydrophobicContact CE1-CD2 3.63Å; Y783-L785 HydrophobicContact CE1-CG 3.62Å; Y783-R837 CarbonylContact O-C 3.43Å; Y783-R837 WeakPolarHBondContact O-CA 3.37Å; Y783-I838 WeakPolarHBondContact CB-O 3.26Å; Y783-I838 PolarHBondContact N-O 3.36Å; Y783-I838 PolarHBondContact O-N 3.31Å; Y783-I853 HydrophobicContact CD1-CG2 4.05Å; Y783-I853 HydrophobicContact CD2-CB 4.41Å; Y783-I853 HydrophobicContact CD2-CD1 4.15Å; Y783-I853 HydrophobicContact CD2-CG2 3.88Å; Y783-I853 HydrophobicContact CE1-CG2 4.05Å; Y783-I853 HydrophobicContact CE2-CB 4.5Å; Y783-I853 HydrophobicContact CE2-CG2 3.87Å; Y783-I853 HydrophobicContact CG-CD1 4.24Å; Y783-I853 HydrophobicContact CG-CG2 3.97Å; Y783-E854 PolarHBondContact OH-OE1 3.18Å; Y783-E854 PolarHBondContact OH-OE2 3.46Å; Y783-L857 HydrophobicContact CE1-CD1 3.96Å; Y783-R941 PolarHBondContact OH-NH2 3.04Å; Y783-K943 HydrophobicContact CE2-CD 4.09Å; Y783-K943 WeakPolarHBondContact OH-CD 3.25Å; Y783-T945 HydrophobicContact CD2-CG2 3.7Å; Y783-T945 HydrophobicContact CE2-CG2 4.07Å; Y783-T945 HydrophobicContact CG-CG2 4.33Å
784	Y	95.3	Very high	89	Confident	1 Å²	1	27.3 Å²	27.3	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.6	-174.7	178.7	-116.9	0	0	0	112.1	L650 I735 Q786 R828 L944	L650-Y784 HydrophobicContact CD1-CD1 4.09Å; L650-Y784 HydrophobicContact CD1-CG 4.22Å; L650-Y784 HydrophobicContact CD2-CD1 4.49Å; L650-Y784 HydrophobicContact CD2-CD2 4.31Å; L650-Y784 HydrophobicContact CD2-CG 4.02Å; I735-Y784 HydrophobicContact CD1-CD1 3.96Å; I735-Y784 HydrophobicContact CD1-CE1 3.92Å; Y784-Q786 HydrophobicContact CE1-CB 3.94Å; Y784-R828 HydrophobicContact CE2-CB 4.07Å; Y784-L944 WeakPolarHBondContact CA-O 3.4Å; Y784-L944 WeakPolarHBondContact CB-O 3.19Å; Y784-L944 HydrophobicContact CD1-CB 4.47Å; Y784-L944 PolarHBondContact N-O 2.96Å; Y784-L944 PolarHBondContact O-N 3.4Å; Y784-L944 VanDerWaalsContact O-O 3.12Å
785	L	95	Very high	90	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.8	174.3	-59.7	179.1	0	0	0	109.1	Y783 C787 G835 F836 L857 M934 R941 R942 K943	Y783-L785 HydrophobicContact CD1-CD2 4.49Å; Y783-L785 HydrophobicContact CD1-CG 4.21Å; Y783-L785 HydrophobicContact CE1-CD1 3.89Å; Y783-L785 HydrophobicContact CE1-CD2 3.63Å; Y783-L785 HydrophobicContact CE1-CG 3.62Å; L785-C787 PolarHBondContact O-N 2.8Å; L785-C787 PolarHBondContact O-SG 3.38Å; L785-G835 CarbonylContact O-C 3.48Å; L785-G835 WeakPolarHBondContact O-CA 3.49Å; L785-F836 HydrophobicContact CB-CB 4.48Å; L785-F836 HydrophobicContact CD1-CD1 4.22Å; L785-F836 PolarHBondContact N-O 3.1Å; L785-F836 PolarHBondContact O-N 2.99Å; L785-L857 HydrophobicContact CD1-CD1 4.24Å; L785-M934 HydrophobicContact CD1-CB 3.83Å; L785-M934 HydrophobicContact CD1-CG 3.93Å; L785-R941 HydrophobicContact CD2-CG 4.44Å; L785-R942 WeakPolarHBondContact CA-O 3.46Å; L785-K943 HydrophobicContact CD2-CB 3.9Å; L785-K943 HydrophobicContact CD2-CG 4.16Å
786	Q	94.6	Very high	91.3	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.4	179.5	-175.2	175.6	79.5	0	0	110.5	V733 I735 Y784 L833 R942	V733-Q786 PolarHBondContact O-NE2 3.12Å; I735-Q786 HydrophobicContact CD1-CB 4.16Å; Y784-Q786 HydrophobicContact CE1-CB 3.94Å; Q786-L833 VanDerWaalsContact NE2-CD1 3.33Å; Q786-R942 HydrophobicContact CB-CB 4.01Å; Q786-R942 PolarHBondContact N-O 3.18Å
787	C	94.1	Very high	92.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	27.7	-170.1	-55.5	0	0	0	0	113.3	L785 Q834 F929 H933 M934	L785-C787 PolarHBondContact O-N 2.8Å; L785-C787 PolarHBondContact O-SG 3.38Å; C787-Q834 PolarHBondContact N-O 2.98Å; C787-F929 HydrophobicContact CB-CE1 4.46Å; C787-F929 HydrophobicContact CB-CZ 3.91Å; C787-H933 HydrophobicContact CB-CB 4.19Å; C787-M934 WeakPolarHBondContact SG-CE 3.34Å
788	G	89.6	Confident	93.4	Very high	23 Å²	23	19.4 Å²	19.4	24%	0.237	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.1	-162.5	175.7	0	0	0	0	0	115	Q834	G788-Q834 PolarHBondContact O-N 3.43Å; G788-Q834 VanDerWaalsContact O-N 3.09Å
789	E	91.9	Very high	93.9	Very high	88 Å²	88	20.3 Å²	20.3	41%	0.411	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	148.8	-176.9	-54.3	-166.9	155.7	0	0	111.9	N794 K832 L833 Q834	E789-N794 PolarHBondContact O-ND2 2.87Å; E789-K832 CarbonylContact C-O 3.57Å; E789-K832 WeakPolarHBondContact CA-O 3.47Å; E789-K832 WeakPolarHBondContact OE1-CE 3.44Å; E789-K832 IonicContact OE1-NZ 3.12Å; E789-K832 PolarHBondContact OE1-NZ 3.14Å; E789-K832 WeakPolarHBondContact OE2-CE 3.47Å; E789-K832 IonicContact OE2-NZ 2.83Å; E789-K832 PolarHBondContact OE2-NZ 3.3Å; E789-L833 HydrophobicContact CB-CD2 4.47Å; E789-L833 HydrophobicContact CG-CD2 3.92Å; E789-Q834 PolarHBondContact O-NE2 3.26Å
790	Q	91	Very high	94.2	Very high	36 Å²	36	20.3 Å²	20.3	17%	0.168	11%	0.113	C	C	.	.			trans	-66.4	132.8	171.4	-72.4	176.2	54.4	0	0	110.6	D795 S830 N831 K832 L833 Q834	Q790-D795 WeakPolarHBondContact CA-OD1 3.48Å; Q790-D795 WeakPolarHBondContact CB-OD1 3.37Å; Q790-S830 PolarHBondContact NE2-O 2.89Å; Q790-N831 PolarHBondContact NE2-O 2.78Å; Q790-K832 PolarHBondContact N-O 2.96Å; Q790-L833 PolarHBondContact NE2-O 3.35Å; Q790-Q834 HydrophobicContact CG-CB 4.09Å; Q790-Q834 HydrophobicContact CG-CG 4.31Å
791	S	91.3	Very high	94.3	Very high	50 Å²	50	20.3 Å²	20.3	35%	0.35	11%	0.113	S	C	.	.			trans	-162.5	152.9	173.5	64.4	0	0	0	0	107.4	L793 N794 D795	S791-L793 PolarHBondContact O-N 3.03Å; S791-N794 PolarHBondContact O-N 2.93Å; S791-N794 VanDerWaalsContact O-N 3.08Å; S791-N794 WeakPolarHBondContact OG-CB 3.3Å; S791-N794 PolarHBondContact OG-N 3.05Å; S791-N794 PolarHBondContact OG-ND2 3.21Å; S791-D795 PolarHBondContact N-OD1 2.95Å; S791-D795 WeakPolarHBondContact O-CB 3.49Å; S791-D795 PolarHBondContact O-N 3.16Å; S791-D795 VanDerWaalsContact O-OD1 3.09Å
792	T	92.6	Very high	94.4	Very high	34 Å²	34	20.9 Å²	20.9	21%	0.209	12%	0.117	C	C	.	.	H	α-helix	trans	-49.3	-39.3	-178	-45.6	0	0	0	0	112.6	T796 H913 E914 V917	T792-T796 WeakPolarHBondContact O-CB 3.06Å; T792-T796 PolarHBondContact O-N 2.72Å; T792-T796 PolarHBondContact O-OG1 3.26Å; T792-H913 VanDerWaalsContact CG2-C 3.49Å; T792-H913 HydrophobicContact CG2-CB 3.82Å; T792-H913 WeakPolarHBondContact CG2-O 3.3Å; T792-E914 HydrophobicContact CG2-CG 4.3Å; T792-V917 HydrophobicContact CG2-CB 4.46Å; T792-V917 HydrophobicContact CG2-CG2 3.7Å
793	L	95.4	Very high	94.2	Very high	88 Å²	88	21.9 Å²	21.9	46%	0.461	12%	0.122	S	C	.	.	H	α-helix	trans	-68.2	-54	177.2	180	61.4	0	0	0	113.5	S791 D795 T796 L797 V917 L921	S791-L793 PolarHBondContact O-N 3.03Å; L793-D795 VanDerWaalsContact C-N 3.3Å; L793-D795 PolarHBondContact O-N 2.87Å; L793-T796 PolarHBondContact O-N 3.27Å; L793-L797 HydrophobicContact CD1-CD1 4.01Å; L793-L797 HydrophobicContact CD1-CG 4.31Å; L793-L797 HydrophobicContact CG-CD1 3.98Å; L793-L797 WeakPolarHBondContact O-CG 3.47Å; L793-L797 PolarHBondContact O-N 2.99Å; L793-V917 HydrophobicContact CD1-CG1 3.81Å; L793-L921 HydrophobicContact CD1-CD2 3.87Å
794	N	94.5	Very high	94.2	Very high	42 Å²	42	22 Å²	22	23%	0.225	12%	0.123	C	C	.	.	H	α-helix	trans	-66.5	-36.3	-178	-68.3	-13.4	0	0	0	111.8	E789 S791 L797 L798	E789-N794 PolarHBondContact O-ND2 2.87Å; S791-N794 PolarHBondContact O-N 2.93Å; S791-N794 VanDerWaalsContact O-N 3.08Å; S791-N794 WeakPolarHBondContact OG-CB 3.3Å; S791-N794 PolarHBondContact OG-N 3.05Å; S791-N794 PolarHBondContact OG-ND2 3.21Å; N794-L797 PolarHBondContact O-N 2.86Å; N794-L798 WeakPolarHBondContact O-CB 3.49Å; N794-L798 PolarHBondContact O-N 2.87Å
795	D	93.2	Very high	94.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-47.2	177.3	-68.9	6.4	0	0	0	109.8	Q790 S791 L793 N799 R829 Q834 R910 E914	Q790-D795 WeakPolarHBondContact CA-OD1 3.48Å; Q790-D795 WeakPolarHBondContact CB-OD1 3.37Å; S791-D795 PolarHBondContact N-OD1 2.95Å; S791-D795 WeakPolarHBondContact O-CB 3.49Å; S791-D795 PolarHBondContact O-N 3.16Å; S791-D795 VanDerWaalsContact O-OD1 3.09Å; L793-D795 VanDerWaalsContact C-N 3.3Å; L793-D795 PolarHBondContact O-N 2.87Å; D795-N799 VanDerWaalsContact O-CB 3.28Å; D795-N799 WeakPolarHBondContact O-CB 3.48Å; D795-N799 PolarHBondContact O-N 3.37Å; D795-N799 VanDerWaalsContact O-N 3.12Å; D795-R829 PolarHBondContact O-NH2 3.43Å; D795-R829 VanDerWaalsContact O-NH2 3.14Å; D795-Q834 PolarHBondContact OD1-NE2 3.18Å; D795-Q834 PolarHBondContact OD1-OE1 3.03Å; D795-R910 IonicContact OD2-NH1 3.82Å; D795-R910 PolarHBondContact OD2-NH1 3.34Å; D795-R910 VanDerWaalsContact OD2-NH1 3.07Å; D795-E914 HydrophobicContact CB-CG 4.47Å
796	T	96.2	Very high	93.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.5	-43.7	176.2	-58.9	0	0	0	0	112.3	T792 L793 N799 L800 E914 V917 L918 L921	T792-T796 WeakPolarHBondContact O-CB 3.06Å; T792-T796 PolarHBondContact O-N 2.72Å; T792-T796 PolarHBondContact O-OG1 3.26Å; L793-T796 PolarHBondContact O-N 3.27Å; T796-N799 PolarHBondContact O-N 3.26Å; T796-L800 WeakPolarHBondContact O-CB 3.34Å; T796-L800 PolarHBondContact O-N 3.22Å; T796-E914 WeakPolarHBondContact OG1-CA 3.3Å; T796-E914 WeakPolarHBondContact OG1-CB 3.47Å; T796-E914 PolarHBondContact OG1-O 3.35Å; T796-V917 HydrophobicContact CG2-CG1 4.35Å; T796-L918 HydrophobicContact CG2-CB 3.6Å; T796-L918 HydrophobicContact CG2-CD1 3.84Å; T796-L918 HydrophobicContact CG2-CG 4.27Å; T796-L921 HydrophobicContact CG2-CD1 3.6Å
797	L	97.1	Very high	93.7	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.068	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-45.9	178.9	-78.9	167.6	0	0	0	112.2	L793 N794 N799 L800 F801 L921 D925 V926 F929	L793-L797 HydrophobicContact CD1-CD1 4.01Å; L793-L797 HydrophobicContact CD1-CG 4.31Å; L793-L797 HydrophobicContact CG-CD1 3.98Å; L793-L797 WeakPolarHBondContact O-CG 3.47Å; L793-L797 PolarHBondContact O-N 2.99Å; N794-L797 PolarHBondContact O-N 2.86Å; L797-N799 VanDerWaalsContact C-N 3.33Å; L797-N799 PolarHBondContact O-N 3.46Å; L797-L800 PolarHBondContact O-N 2.89Å; L797-F801 WeakPolarHBondContact O-CB 3.4Å; L797-F801 PolarHBondContact O-N 3.48Å; L797-L921 HydrophobicContact CD2-CD1 3.89Å; L797-L921 HydrophobicContact CD2-CD2 4.06Å; L797-L921 HydrophobicContact CG-CD1 4.23Å; L797-L921 HydrophobicContact CG-CD2 4.43Å; L797-D925 HydrophobicContact CD2-CB 3.91Å; L797-V926 HydrophobicContact CD2-CG2 4.36Å; L797-F929 HydrophobicContact CB-CD1 4.29Å; L797-F929 HydrophobicContact CB-CD2 3.93Å; L797-F929 HydrophobicContact CB-CE1 4.5Å; L797-F929 HydrophobicContact CB-CE2 4.17Å; L797-F929 HydrophobicContact CB-CG 3.99Å; L797-F929 HydrophobicContact CB-CZ 4.44Å; L797-F929 HydrophobicContact CD1-CB 4.43Å; L797-F929 HydrophobicContact CD1-CD2 3.87Å; L797-F929 HydrophobicContact CD1-CG 4.35Å; L797-F929 HydrophobicContact CD2-CB 4.48Å; L797-F929 HydrophobicContact CG-CD2 4.49Å
798	L	96.6	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-39.5	177.2	179.8	60.4	0	0	0	111.5	N794 F801 C802 L827 Q834 F836 F929 M934	N794-L798 WeakPolarHBondContact O-CB 3.49Å; N794-L798 PolarHBondContact O-N 2.87Å; L798-F801 PolarHBondContact O-N 3.31Å; L798-C802 WeakPolarHBondContact O-CB 3.44Å; L798-C802 PolarHBondContact O-N 2.96Å; L798-C802 PolarHBondContact O-SG 3.44Å; L798-L827 HydrophobicContact CD2-CB 3.94Å; L798-L827 HydrophobicContact CG-CB 4.07Å; L798-Q834 HydrophobicContact CD2-CB 4Å; L798-Q834 HydrophobicContact CD2-CG 3.82Å; L798-F836 HydrophobicContact CD1-CB 4.07Å; L798-F929 HydrophobicContact CB-CE1 4.03Å; L798-F929 HydrophobicContact CB-CZ 4.03Å; L798-F929 HydrophobicContact CD1-CE1 4.14Å; L798-M934 HydrophobicContact CD1-CE 3.53Å
799	N	94.6	Very high	93.9	Very high	28 Å²	28	26.1 Å²	26.1	15%	0.15	14%	0.14	C	C	.	.	H	α-helix	trans	-66.4	-44.5	179.2	-153.9	-1.7	0	0	0	111.3	D795 T796 L797 C802 Q803 L827 L879	D795-N799 VanDerWaalsContact O-CB 3.28Å; D795-N799 WeakPolarHBondContact O-CB 3.48Å; D795-N799 PolarHBondContact O-N 3.37Å; D795-N799 VanDerWaalsContact O-N 3.12Å; T796-N799 PolarHBondContact O-N 3.26Å; L797-N799 VanDerWaalsContact C-N 3.33Å; L797-N799 PolarHBondContact O-N 3.46Å; N799-C802 PolarHBondContact O-N 2.85Å; N799-Q803 PolarHBondContact O-N 3.2Å; N799-L827 HydrophobicContact CB-CD2 4.22Å; N799-L879 HydrophobicContact CB-CD1 4.47Å; N799-L879 HydrophobicContact CB-CD2 4.05Å
800	L	96.3	Very high	93.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-42.4	175.3	-178.2	57.8	0	0	0	112	T796 L797 C802 Q803 I804 F872 H875 V876 L879 L918 L921 V926	T796-L800 WeakPolarHBondContact O-CB 3.34Å; T796-L800 PolarHBondContact O-N 3.22Å; L797-L800 PolarHBondContact O-N 2.89Å; L800-C802 VanDerWaalsContact C-N 3.35Å; L800-C802 PolarHBondContact O-N 2.66Å; L800-Q803 WeakPolarHBondContact O-CB 3.26Å; L800-Q803 PolarHBondContact O-N 2.6Å; L800-I804 HydrophobicContact CD1-CD1 4.27Å; L800-I804 HydrophobicContact CG-CD1 4.14Å; L800-I804 WeakPolarHBondContact O-CG1 3.48Å; L800-I804 PolarHBondContact O-N 3.11Å; L800-I804 VanDerWaalsContact O-N 3.1Å; L800-F872 HydrophobicContact CD2-CE2 4.05Å; L800-F872 HydrophobicContact CD2-CZ 3.79Å; L800-H875 HydrophobicContact CD1-CB 4.31Å; L800-V876 HydrophobicContact CD1-CG2 4.05Å; L800-V876 HydrophobicContact CD2-CG2 4.16Å; L800-L879 HydrophobicContact CB-CD2 3.93Å; L800-L879 HydrophobicContact CD1-CD2 4.33Å; L800-L918 HydrophobicContact CB-CD1 4.26Å; L800-L918 HydrophobicContact CD1-CD1 4.2Å; L800-L918 HydrophobicContact CD2-CD1 3.88Å; L800-L918 HydrophobicContact CG-CD1 4.34Å; L800-L921 HydrophobicContact CD2-CB 4.44Å; L800-L921 HydrophobicContact CD2-CD1 4.08Å; L800-V926 HydrophobicContact CD2-CG2 3.63Å; L800-V926 HydrophobicContact CG-CG2 4.08Å
801	F	96.6	Very high	93.6	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-47.2	173.3	177	-93.5	0	0	0	111.4	L797 L798 Q803 I804 V805 F836 V860 L864 V926 F930 M934	L797-F801 WeakPolarHBondContact O-CB 3.4Å; L797-F801 PolarHBondContact O-N 3.48Å; L798-F801 PolarHBondContact O-N 3.31Å; F801-Q803 VanDerWaalsContact C-N 3.34Å; F801-Q803 PolarHBondContact O-N 2.99Å; F801-I804 PolarHBondContact O-N 3.46Å; F801-V805 HydrophobicContact CD1-CG2 4.07Å; F801-V805 HydrophobicContact CD2-CG1 4.25Å; F801-V805 HydrophobicContact CE1-CB 4.46Å; F801-V805 HydrophobicContact CE1-CG1 4.04Å; F801-V805 HydrophobicContact CE1-CG2 3.63Å; F801-V805 HydrophobicContact CE2-CG1 3.71Å; F801-V805 HydrophobicContact CZ-CB 4.41Å; F801-V805 HydrophobicContact CZ-CG1 3.6Å; F801-V805 HydrophobicContact CZ-CG2 4.05Å; F801-V805 WeakPolarHBondContact O-CG2 3.21Å; F801-V805 PolarHBondContact O-N 3.12Å; F801-F836 HydrophobicContact CD1-CD2 4.27Å; F801-F836 HydrophobicContact CD1-CE2 4.44Å; F801-F836 HydrophobicContact CE1-CD1 4.31Å; F801-F836 HydrophobicContact CE1-CD2 4.03Å; F801-F836 HydrophobicContact CE1-CE1 4.27Å; F801-F836 AromaticContact CE1-CE2 4Å; F801-F836 HydrophobicContact CE1-CE2 4Å; F801-F836 HydrophobicContact CE1-CG 4.18Å; F801-F836 HydrophobicContact CE1-CZ 4.11Å; F801-V860 HydrophobicContact CE2-CG1 3.85Å; F801-V860 HydrophobicContact CZ-CG1 4.14Å; F801-L864 HydrophobicContact CE2-CD1 4.36Å; F801-V926 HydrophobicContact CB-CG1 4.26Å; F801-V926 HydrophobicContact CD2-CG1 4.1Å; F801-F930 HydrophobicContact CD2-CB 4.37Å; F801-F930 HydrophobicContact CE2-CB 4.05Å; F801-F930 AromaticContact CE2-CD2 3.5Å; F801-F930 HydrophobicContact CE2-CD2 3.5Å; F801-F930 HydrophobicContact CE2-CE2 4.39Å; F801-F930 HydrophobicContact CE2-CG 4.1Å; F801-F930 AromaticContact CZ-CD2 3.74Å; F801-F930 HydrophobicContact CZ-CD2 3.74Å; F801-F930 HydrophobicContact CZ-CE2 4.32Å; F801-M934 HydrophobicContact CD1-CE 3.7Å; F801-M934 HydrophobicContact CD1-SD 3.62Å; F801-M934 HydrophobicContact CD2-SD 4.46Å; F801-M934 HydrophobicContact CE1-CE 3.91Å; F801-M934 HydrophobicContact CE1-SD 3.17Å; F801-M934 WeakPolarHBondContact CE1-SD 3.1Å; F801-M934 HydrophobicContact CE2-SD 4.1Å; F801-M934 HydrophobicContact CG-CE 4.21Å; F801-M934 HydrophobicContact CG-SD 4.25Å; F801-M934 HydrophobicContact CZ-SD 3.45Å; F801-M934 WeakPolarHBondContact CZ-SD 3.26Å
802	C	95.1	Very high	93.6	Very high	12 Å²	12	25.2 Å²	25.2	8%	0.081	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-42.4	177.5	-68.6	0	0	0	0	111.9	L798 N799 L800 I804 V805 N806	L798-C802 WeakPolarHBondContact O-CB 3.44Å; L798-C802 PolarHBondContact O-N 2.96Å; L798-C802 PolarHBondContact O-SG 3.44Å; N799-C802 PolarHBondContact O-N 2.85Å; L800-C802 VanDerWaalsContact C-N 3.35Å; L800-C802 PolarHBondContact O-N 2.66Å; C802-I804 VanDerWaalsContact C-N 3.27Å; C802-I804 PolarHBondContact O-N 2.9Å; C802-V805 PolarHBondContact O-N 3.16Å; C802-N806 VanDerWaalsContact O-CB 3.32Å; C802-N806 WeakPolarHBondContact O-CB 3.14Å; C802-N806 PolarHBondContact O-N 3.35Å
803	Q	92.4	Very high	93.7	Very high	39 Å²	39	23.6 Å²	23.6	18%	0.182	12%	0.12	C	C	.	.	H	α-helix	trans	-57.7	-40.3	176.1	178.7	62.2	31.3	0	0	112	T95 N799 L800 F801 H875 S878 L879	T95-Q803 PolarHBondContact O-NE2 3.41Å; T95-Q803 VanDerWaalsContact O-NE2 3.15Å; N799-Q803 PolarHBondContact O-N 3.2Å; L800-Q803 WeakPolarHBondContact O-CB 3.26Å; L800-Q803 PolarHBondContact O-N 2.6Å; F801-Q803 VanDerWaalsContact C-N 3.34Å; F801-Q803 PolarHBondContact O-N 2.99Å; Q803-H875 HydrophobicContact CG-CB 4.22Å; Q803-S878 PolarHBondContact NE2-OG 2.9Å; Q803-L879 HydrophobicContact CG-CB 4.4Å
804	I	94.6	Very high	93.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-71.3	-46.4	-179.3	-70.2	162.8	0	0	0	111.4	L800 F801 C802 P808 L863 L864 M867 F872 H875 V926	L800-I804 HydrophobicContact CD1-CD1 4.27Å; L800-I804 HydrophobicContact CG-CD1 4.14Å; L800-I804 WeakPolarHBondContact O-CG1 3.48Å; L800-I804 PolarHBondContact O-N 3.11Å; L800-I804 VanDerWaalsContact O-N 3.1Å; F801-I804 PolarHBondContact O-N 3.46Å; C802-I804 VanDerWaalsContact C-N 3.27Å; C802-I804 PolarHBondContact O-N 2.9Å; I804-P808 VanDerWaalsContact O-CD 3.27Å; I804-P808 WeakPolarHBondContact O-CD 3.27Å; I804-L863 HydrophobicContact CG2-CD2 4.07Å; I804-L864 HydrophobicContact CD1-CD2 4.34Å; I804-L864 HydrophobicContact CG2-CD2 3.75Å; I804-M867 HydrophobicContact CG1-CE 4.32Å; I804-M867 HydrophobicContact CG2-CE 3.53Å; I804-F872 HydrophobicContact CD1-CD2 4.25Å; I804-F872 HydrophobicContact CD1-CE2 4.17Å; I804-H875 HydrophobicContact CG1-CB 3.87Å; I804-V926 HydrophobicContact CD1-CG1 4.2Å
805	V	94.3	Very high	92.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-89.4	-9.2	-170.3	-55.4	0	0	0	0	114.5	F801 C802 P808 V809 F836 V860	F801-V805 HydrophobicContact CD1-CG2 4.07Å; F801-V805 HydrophobicContact CD2-CG1 4.25Å; F801-V805 HydrophobicContact CE1-CB 4.46Å; F801-V805 HydrophobicContact CE1-CG1 4.04Å; F801-V805 HydrophobicContact CE1-CG2 3.63Å; F801-V805 HydrophobicContact CE2-CG1 3.71Å; F801-V805 HydrophobicContact CZ-CB 4.41Å; F801-V805 HydrophobicContact CZ-CG1 3.6Å; F801-V805 HydrophobicContact CZ-CG2 4.05Å; F801-V805 WeakPolarHBondContact O-CG2 3.21Å; F801-V805 PolarHBondContact O-N 3.12Å; C802-V805 PolarHBondContact O-N 3.16Å; V805-P808 WeakPolarHBondContact O-CD 3.49Å; V805-V809 HydrophobicContact CB-CG2 4.39Å; V805-V809 HydrophobicContact CG2-CG2 4.43Å; V805-V809 WeakPolarHBondContact O-CB 3.3Å; V805-V809 WeakPolarHBondContact O-CG2 3.31Å; V805-V809 PolarHBondContact O-N 3.27Å; V805-F836 HydrophobicContact CG2-CE2 3.86Å; V805-F836 HydrophobicContact CG2-CZ 3.86Å; V805-V860 HydrophobicContact CG1-CG1 4.2Å
806	N	90.3	Very high	92.4	Very high	72 Å²	72	25 Å²	25	39%	0.385	12%	0.122	S	C	.	.	H	α-helix	trans	-59.7	-52.1	-174.4	-165.9	22.2	0	0	0	113	C802 V809 F810	C802-N806 VanDerWaalsContact O-CB 3.32Å; C802-N806 WeakPolarHBondContact O-CB 3.14Å; C802-N806 PolarHBondContact O-N 3.35Å; N806-V809 PolarHBondContact O-N 2.67Å; N806-F810 PolarHBondContact O-N 2.97Å; N806-F810 VanDerWaalsContact O-N 3.1Å
807	E	90.7	Very high	92	Very high	18 Å²	18	27.7 Å²	27.7	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-66	-45.6	176.5	-173	-77.9	160	0	0	112.1	N88 L91 T95 V809 F810 N811	N88-E807 PolarHBondContact ND2-OE1 3.19Å; L91-E807 HydrophobicContact CD2-CG 4.39Å; L91-E807 HydrophobicContact CG-CG 4.22Å; T95-E807 HydrophobicContact CG2-CB 4.03Å; E807-V809 VanDerWaalsContact C-N 3.33Å; E807-V809 PolarHBondContact O-N 3.38Å; E807-F810 PolarHBondContact O-N 2.69Å; E807-F810 VanDerWaalsContact O-N 3.12Å; E807-N811 WeakPolarHBondContact O-CB 3.47Å; E807-N811 PolarHBondContact O-N 2.79Å
808	P	92.8	Very high	91.4	Very high	23 Å²	23	28.6 Å²	28.6	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-57.1	-40.7	175.1	-30.4	35.4	0	0	0	114.2	I804 V805 K812 F856 L863	I804-P808 VanDerWaalsContact O-CD 3.27Å; I804-P808 WeakPolarHBondContact O-CD 3.27Å; V805-P808 WeakPolarHBondContact O-CD 3.49Å; P808-K812 WeakPolarHBondContact O-CB 3.46Å; P808-K812 PolarHBondContact O-N 2.67Å; P808-F856 HydrophobicContact CB-CE2 4.05Å; P808-F856 HydrophobicContact CB-CZ 4.14Å; P808-L863 HydrophobicContact CB-CD1 3.83Å; P808-L863 HydrophobicContact CG-CD1 3.88Å
809	V	93.7	Very high	91	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-47.7	175.3	170.4	0	0	0	0	110.3	V805 N806 E807 L813 V823 A825 I838 F856	V805-V809 HydrophobicContact CB-CG2 4.39Å; V805-V809 HydrophobicContact CG2-CG2 4.43Å; V805-V809 WeakPolarHBondContact O-CB 3.3Å; V805-V809 WeakPolarHBondContact O-CG2 3.31Å; V805-V809 PolarHBondContact O-N 3.27Å; N806-V809 PolarHBondContact O-N 2.67Å; E807-V809 VanDerWaalsContact C-N 3.33Å; E807-V809 PolarHBondContact O-N 3.38Å; V809-L813 HydrophobicContact CG1-CD1 3.85Å; V809-L813 HydrophobicContact CG1-CG 4.4Å; V809-L813 WeakPolarHBondContact O-CB 3.47Å; V809-L813 WeakPolarHBondContact O-CG 3.35Å; V809-L813 PolarHBondContact O-N 2.63Å; V809-V823 HydrophobicContact CG1-CG1 4.06Å; V809-A825 HydrophobicContact CB-CB 4.07Å; V809-A825 HydrophobicContact CG1-CB 4.01Å; V809-A825 HydrophobicContact CG2-CB 4.07Å; V809-I838 HydrophobicContact CG1-CD1 4.42Å; V809-I838 HydrophobicContact CG1-CG1 4.5Å; V809-I838 HydrophobicContact CG1-CG2 4.41Å; V809-I838 HydrophobicContact CG2-CD1 4.32Å; V809-F856 HydrophobicContact CB-CE1 4.4Å; V809-F856 HydrophobicContact CB-CZ 4.3Å; V809-F856 HydrophobicContact CG2-CD1 4.1Å; V809-F856 HydrophobicContact CG2-CE1 3.25Å; V809-F856 HydrophobicContact CG2-CE2 4.38Å; V809-F856 HydrophobicContact CG2-CZ 3.42Å; V809-F856 VanDerWaalsContact CG2-CZ 3.42Å
810	F	89.8	Confident	90.4	Very high	54 Å²	54	27.8 Å²	27.8	24%	0.237	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-51.4	-179.5	-172.6	-84.7	0	0	0	111.1	L91 N806 E807 K812 R814 T815	L91-F810 HydrophobicContact CD2-CD1 3.85Å; L91-F810 HydrophobicContact CD2-CE1 3.97Å; N806-F810 PolarHBondContact O-N 2.97Å; N806-F810 VanDerWaalsContact O-N 3.1Å; E807-F810 PolarHBondContact O-N 2.69Å; E807-F810 VanDerWaalsContact O-N 3.12Å; F810-K812 VanDerWaalsContact C-N 3.35Å; F810-K812 PolarHBondContact O-N 3.14Å; F810-R814 HydrophobicContact CD1-CB 4.49Å; F810-R814 HydrophobicContact CE1-CG 4.4Å; F810-R814 HydrophobicContact CZ-CG 4.34Å; F810-R814 VanDerWaalsContact CZ-CZ 3.44Å; F810-R814 WeakPolarHBondContact O-CA 3.13Å; F810-R814 WeakPolarHBondContact O-CB 3.26Å; F810-R814 PolarHBondContact O-N 2.8Å; F810-T815 PolarHBondContact O-N 2.98Å
811	N	88.1	Confident	89.6	Confident	28 Å²	28	30.3 Å²	30.3	15%	0.15	15%	0.146	C	C	.	.	I	π-helix	trans	-59.7	-45.7	179.6	-179	59.7	0	0	0	111.3	E807 T815 E816	E807-N811 WeakPolarHBondContact O-CB 3.47Å; E807-N811 PolarHBondContact O-N 2.79Å; N811-T815 CarbonylContact O-C 3.5Å; N811-T815 WeakPolarHBondContact O-CA 3.41Å; N811-T815 VanDerWaalsContact O-CB 3.29Å; N811-T815 WeakPolarHBondContact O-CB 3.07Å; N811-T815 PolarHBondContact O-N 3.2Å; N811-T815 VanDerWaalsContact O-N 3.1Å; N811-T815 WeakPolarHBondContact OD1-CB 3.37Å; N811-E816 PolarHBondContact ND2-OE1 3.03Å; N811-E816 PolarHBondContact O-N 3.28Å
812	K	91.7	Very high	89.2	Confident	74 Å²	74	31 Å²	31	32%	0.322	15%	0.15	S	C	.	.	I	π-helix	trans	-68.4	-51.7	-177.6	-168.8	60.3	170.3	-177.4	0	112.8	P808 F810 E816 Q817 F856	P808-K812 WeakPolarHBondContact O-CB 3.46Å; P808-K812 PolarHBondContact O-N 2.67Å; F810-K812 VanDerWaalsContact C-N 3.35Å; F810-K812 PolarHBondContact O-N 3.14Å; K812-E816 WeakPolarHBondContact CD-OE2 3.35Å; K812-E816 IonicContact NZ-OE2 3.67Å; K812-E816 PolarHBondContact NZ-OE2 3.06Å; K812-Q817 VanDerWaalsContact O-CB 3.32Å; K812-Q817 WeakPolarHBondContact O-CB 3.47Å; K812-Q817 VanDerWaalsContact O-CG 3.27Å; K812-Q817 WeakPolarHBondContact O-CG 3.49Å; K812-Q817 PolarHBondContact O-N 2.97Å; K812-F856 HydrophobicContact CB-CD2 3.96Å; K812-F856 HydrophobicContact CB-CE2 4.36Å; K812-F856 HydrophobicContact CG-CD2 3.98Å
813	L	93.1	Very high	89.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-84.1	-33	-171.4	-57.6	-174.9	0	0	0	112.7	V809 L819 V823 I838 C852 I853 F856	V809-L813 HydrophobicContact CG1-CD1 3.85Å; V809-L813 HydrophobicContact CG1-CG 4.4Å; V809-L813 WeakPolarHBondContact O-CB 3.47Å; V809-L813 WeakPolarHBondContact O-CG 3.35Å; V809-L813 PolarHBondContact O-N 2.63Å; L813-L819 HydrophobicContact CB-CD1 4.14Å; L813-L819 HydrophobicContact CD2-CD1 3.95Å; L813-L819 WeakPolarHBondContact O-CB 3.17Å; L813-L819 WeakPolarHBondContact O-CG 3.29Å; L813-L819 PolarHBondContact O-N 2.8Å; L813-V823 HydrophobicContact CB-CG1 3.91Å; L813-V823 HydrophobicContact CB-CG2 4.38Å; L813-V823 HydrophobicContact CD1-CG1 4.33Å; L813-I838 HydrophobicContact CD1-CG2 4.15Å; L813-C852 HydrophobicContact CD2-CB 4.32Å; L813-I853 HydrophobicContact CD1-CG1 3.9Å; L813-F856 HydrophobicContact CD2-CB 4.4Å
814	R	87.7	Confident	89.1	Confident	44 Å²	44	33.1 Å²	33.1	17%	0.166	16%	0.158	C	C	.	.	I	π-helix	trans	-94.6	-59.2	177.5	178.7	169.4	160.9	171.9	-5.8	112.3	F810 Q818 Y821 V823	F810-R814 HydrophobicContact CD1-CB 4.49Å; F810-R814 HydrophobicContact CE1-CG 4.4Å; F810-R814 HydrophobicContact CZ-CG 4.34Å; F810-R814 VanDerWaalsContact CZ-CZ 3.44Å; F810-R814 WeakPolarHBondContact O-CA 3.13Å; F810-R814 WeakPolarHBondContact O-CB 3.26Å; F810-R814 PolarHBondContact O-N 2.8Å; R814-Q818 WeakPolarHBondContact O-CA 3.43Å; R814-Q818 VanDerWaalsContact O-CD 3.28Å; R814-Q818 PolarHBondContact O-N 3.42Å; R814-Q818 VanDerWaalsContact O-N 3.11Å; R814-Q818 PolarHBondContact O-NE2 3.09Å; R814-Q818 VanDerWaalsContact O-NE2 3.13Å; R814-Y821 PolarHBondContact NH1-O 2.78Å; R814-V823 HydrophobicContact CB-CB 4.11Å; R814-V823 HydrophobicContact CB-CG2 3.86Å
815	T	83.1	Confident	89.1	Confident	20 Å²	20	33.6 Å²	33.6	12%	0.123	16%	0.163	C	C	.	.	I	π-helix	trans	-72.4	-46.2	-170.2	-49.2	0	0	0	0	113.1	F810 N811 Q818	F810-T815 PolarHBondContact O-N 2.98Å; N811-T815 CarbonylContact O-C 3.5Å; N811-T815 WeakPolarHBondContact O-CA 3.41Å; N811-T815 VanDerWaalsContact O-CB 3.29Å; N811-T815 WeakPolarHBondContact O-CB 3.07Å; N811-T815 PolarHBondContact O-N 3.2Å; N811-T815 VanDerWaalsContact O-N 3.1Å; N811-T815 WeakPolarHBondContact OD1-CB 3.37Å; T815-Q818 PolarHBondContact O-NE2 2.87Å
816	E	86.6	Confident	89	Confident	97 Å²	97	34.2 Å²	34.2	45%	0.453	17%	0.17	S	C	.	.	I	π-helix	trans	-83.9	-55	-177.7	-68	179.1	-157.6	0	0	112.4	N811 K812	N811-E816 PolarHBondContact ND2-OE1 3.03Å; N811-E816 PolarHBondContact O-N 3.28Å; K812-E816 WeakPolarHBondContact CD-OE2 3.35Å; K812-E816 IonicContact NZ-OE2 3.67Å; K812-E816 PolarHBondContact NZ-OE2 3.06Å
817	Q	87.7	Confident	89.1	Confident	55 Å²	55	33.4 Å²	33.4	26%	0.257	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-14.6	-174.9	-68.7	-177.8	2.6	0	0	114.1	K812 L819	K812-Q817 VanDerWaalsContact O-CB 3.32Å; K812-Q817 WeakPolarHBondContact O-CB 3.47Å; K812-Q817 VanDerWaalsContact O-CG 3.27Å; K812-Q817 WeakPolarHBondContact O-CG 3.49Å; K812-Q817 PolarHBondContact O-N 2.97Å; Q817-L819 HydrophobicContact CB-CD2 4.15Å; Q817-L819 HydrophobicContact CB-CG 3.94Å; Q817-L819 PolarHBondContact O-N 3.47Å
818	Q	84.4	Confident	89.2	Confident	32 Å²	32	34.4 Å²	34.4	15%	0.15	17%	0.168	C	C	.	.			trans	52	43.1	177.8	-62.8	-73.6	-35.9	0	0	112.3	R814 T815 G820	R814-Q818 WeakPolarHBondContact O-CA 3.43Å; R814-Q818 VanDerWaalsContact O-CD 3.28Å; R814-Q818 PolarHBondContact O-N 3.42Å; R814-Q818 VanDerWaalsContact O-N 3.11Å; R814-Q818 PolarHBondContact O-NE2 3.09Å; R814-Q818 VanDerWaalsContact O-NE2 3.13Å; T815-Q818 PolarHBondContact O-NE2 2.87Å; Q818-G820 PolarHBondContact O-N 3.39Å
819	L	86.9	Confident	88.9	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	17%	0.173	C	C	.	.			trans	-68.9	-26	180	-61.3	-175.2	0	0	0	111.8	L813 Q817 V840 S842 Y844 I849 C852	L813-L819 HydrophobicContact CB-CD1 4.14Å; L813-L819 HydrophobicContact CD2-CD1 3.95Å; L813-L819 WeakPolarHBondContact O-CB 3.17Å; L813-L819 WeakPolarHBondContact O-CG 3.29Å; L813-L819 PolarHBondContact O-N 2.8Å; Q817-L819 HydrophobicContact CB-CD2 4.15Å; Q817-L819 HydrophobicContact CB-CG 3.94Å; Q817-L819 PolarHBondContact O-N 3.47Å; L819-V840 HydrophobicContact CB-CG1 4.3Å; L819-S842 WeakPolarHBondContact O-CB 3.48Å; L819-S842 PolarHBondContact O-OG 3.12Å; L819-Y844 HydrophobicContact CD2-CD2 4.21Å; L819-Y844 HydrophobicContact CD2-CE2 4.43Å; L819-I849 HydrophobicContact CD1-CG2 4.14Å; L819-C852 HydrophobicContact CD1-CB 3.73Å
820	G	81.9	Confident	88.2	Confident	7 Å²	7	37.6 Å²	37.6	7%	0.072	18%	0.18	C	C	.	.			trans	163.3	174.7	172.5	0	0	0	0	0	113	Q818	Q818-G820 PolarHBondContact O-N 3.39Å
821	Y	80.2	Confident	87.7	Confident	54 Å²	54	37.6 Å²	37.6	21%	0.212	18%	0.183	C	C	.	.	S	Bend	trans	-69.6	-42	-178.6	-177.2	-94.3	0	0	0	112.9	E152 K155 R814 V823	E152-Y821 HydrophobicContact CB-CD2 3.88Å; E152-Y821 HydrophobicContact CB-CE2 3.87Å; E152-Y821 HydrophobicContact CB-CG 4.38Å; E152-Y821 HydrophobicContact CG-CE2 4.19Å; E152-Y821 WeakPolarHBondContact OE2-CE2 3.25Å; E152-Y821 PolarHBondContact OE2-OH 2.82Å; K155-Y821 HydrophobicContact CD-CD1 4.3Å; R814-Y821 PolarHBondContact NH1-O 2.78Å; Y821-V823 PolarHBondContact O-N 2.99Å
822	I	87.7	Confident	87.7	Confident	16 Å²	16	38.1 Å²	38.1	8%	0.082	18%	0.184	C	C	.	.			trans	-91.2	103.6	179.3	-54.9	179.3	0	0	0	108.1	K155 Y643 Q824 V840 Q841	K155-I822 HydrophobicContact CD-CD1 4.16Å; K155-I822 HydrophobicContact CG-CD1 4.45Å; Y643-I822 HydrophobicContact CD1-CD1 3.38Å; Y643-I822 HydrophobicContact CD2-CD1 4.47Å; Y643-I822 HydrophobicContact CD2-CG2 4.46Å; Y643-I822 HydrophobicContact CE1-CD1 3.43Å; Y643-I822 VanDerWaalsContact CE1-CD1 3.43Å; Y643-I822 HydrophobicContact CG-CD1 3.94Å; Y643-I822 HydrophobicContact CG-CG2 4.42Å; I822-Q824 HydrophobicContact CG2-CG 4.45Å; I822-V840 VanDerWaalsContact O-CA 3.26Å; I822-V840 WeakPolarHBondContact O-CA 3.37Å; I822-Q841 HydrophobicContact CB-CB 3.97Å; I822-Q841 HydrophobicContact CD1-CB 4.27Å; I822-Q841 HydrophobicContact CG1-CB 4.43Å; I822-Q841 PolarHBondContact O-N 3.29Å
823	V	92.6	Very high	87.7	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	118.6	167.7	175	0	0	0	0	106.9	V809 L813 R814 Y821 L839 V840	V809-V823 HydrophobicContact CG1-CG1 4.06Å; L813-V823 HydrophobicContact CB-CG1 3.91Å; L813-V823 HydrophobicContact CB-CG2 4.38Å; L813-V823 HydrophobicContact CD1-CG1 4.33Å; R814-V823 HydrophobicContact CB-CB 4.11Å; R814-V823 HydrophobicContact CB-CG2 3.86Å; Y821-V823 PolarHBondContact O-N 2.99Å; V823-L839 WeakPolarHBondContact CA-O 3.37Å; V823-V840 HydrophobicContact CG1-CG2 4.48Å; V823-V840 HydrophobicContact CG2-CG1 4.2Å; V823-V840 HydrophobicContact CG2-CG2 4.28Å
824	Q	92.3	Very high	87.7	Confident	87 Å²	87	34.9 Å²	34.9	41%	0.407	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.2	-178.6	-64.8	-177.3	-12.7	0	0	110.7	I822 I838 L839	I822-Q824 HydrophobicContact CG2-CG 4.45Å; Q824-I838 CarbonylContact O-C 3.55Å; Q824-I838 WeakPolarHBondContact O-CA 3.07Å; Q824-L839 PolarHBondContact N-O 2.94Å; Q824-L839 PolarHBondContact O-N 3.47Å
825	A	94.4	Very high	88.1	Confident	12 Å²	12	32.8 Å²	32.8	10%	0.099	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	154.8	162.8	0	0	0	0	0	110	V809 F836 R837	V809-A825 HydrophobicContact CB-CB 4.07Å; V809-A825 HydrophobicContact CG1-CB 4.01Å; V809-A825 HydrophobicContact CG2-CB 4.07Å; A825-F836 HydrophobicContact CB-CE2 4.07Å; A825-F836 HydrophobicContact CB-CZ 4.11Å; A825-R837 WeakPolarHBondContact CA-O 3.26Å
826	G	93.3	Very high	88.8	Confident	15 Å²	15	31.8 Å²	31.8	16%	0.155	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-179.1	169.4	0	0	0	0	0	113.1	F836 R837	G826-F836 WeakPolarHBondContact O-CD2 3.17Å; G826-R837 PolarHBondContact N-O 2.95Å; G826-R837 VanDerWaalsContact O-CG 3.25Å; G826-R837 WeakPolarHBondContact O-CG 3.43Å; G826-R837 PolarHBondContact O-N 3.26Å
827	L	93.3	Very high	89.2	Confident	54 Å²	54	29.5 Å²	29.5	28%	0.283	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	152.4	172.8	63.1	93.7	0	0	0	111.1	L798 N799 R829 G835	L798-L827 HydrophobicContact CD2-CB 3.94Å; L798-L827 HydrophobicContact CG-CB 4.07Å; N799-L827 HydrophobicContact CB-CD2 4.22Å; L827-R829 HydrophobicContact CD1-CG 3.82Å; L827-G835 CarbonylContact C-O 3.56Å; L827-G835 WeakPolarHBondContact CA-O 3.45Å
828	R	91.6	Very high	89.6	Confident	39 Å²	39	26.9 Å²	26.9	15%	0.147	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.9	167.6	-177.4	-179.9	179.7	4.7	1.1	107.6	T651 Y784 Q834 G835	T651-R828 PolarHBondContact OG1-NH2 3.22Å; Y784-R828 HydrophobicContact CE2-CB 4.07Å; R828-Q834 CarbonylContact O-C 3.53Å; R828-Q834 WeakPolarHBondContact O-CA 3.41Å; R828-G835 PolarHBondContact N-O 3.14Å; R828-G835 PolarHBondContact O-N 3.43Å
829	R	87.7	Confident	90.1	Very high	68 Å²	68	25.8 Å²	25.8	26%	0.257	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.3	168.4	-71.4	174.4	-173.6	-176.8	5.4	108.8	D795 L827 Q834 E914	D795-R829 PolarHBondContact O-NH2 3.43Å; D795-R829 VanDerWaalsContact O-NH2 3.14Å; L827-R829 HydrophobicContact CD1-CG 3.82Å; R829-Q834 HydrophobicContact CG-CB 4.08Å; R829-E914 IonicContact CZ-OE1 2.8Å; R829-E914 IonicContact CZ-OE2 3.64Å; R829-E914 IonicContact NH1-OE1 2.64Å; R829-E914 PolarHBondContact NH1-OE1 3.12Å; R829-E914 IonicContact NH1-OE2 3.72Å; R829-E914 IonicContact NH2-OE1 2.74Å; R829-E914 PolarHBondContact NH2-OE1 3.02Å; R829-E914 IonicContact NH2-OE2 3.76Å; R829-E914 PolarHBondContact NH2-OE2 3.26Å; R829-E914 VanDerWaalsContact NH2-OE2 3.12Å
830	S	78.9	Confident	90.5	Very high	22 Å²	22	25.6 Å²	25.6	15%	0.154	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	134.6	174	179.7	0	0	0	0	108.4	E732 Q790 K832 L833	E732-S830 VanDerWaalsContact CD-OG 3.31Å; E732-S830 WeakPolarHBondContact OE1-CA 3.41Å; E732-S830 WeakPolarHBondContact OE1-CB 3.3Å; E732-S830 PolarHBondContact OE1-OG 3.15Å; Q790-S830 PolarHBondContact NE2-O 2.89Å; S830-K832 PolarHBondContact O-N 3.43Å; S830-L833 PolarHBondContact N-O 2.96Å; S830-L833 VanDerWaalsContact N-O 3.12Å; S830-L833 CarbonylContact O-C 3.6Å; S830-L833 PolarHBondContact O-N 2.96Å
831	N	78.1	Confident	90.9	Very high	54 Å²	54	26 Å²	26	29%	0.289	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	40.6	-111.7	-178.2	-53.3	-58.9	0	0	0	112.6	S730 E732 Q790 H905	S730-N831 WeakPolarHBondContact O-CB 3.45Å; S730-N831 PolarHBondContact O-ND2 3.19Å; S730-N831 PolarHBondContact O-OD1 2.85Å; E732-N831 WeakPolarHBondContact OE1-CB 3.32Å; E732-N831 PolarHBondContact OE1-N 3.35Å; E732-N831 PolarHBondContact OE1-ND2 3.34Å; Q790-N831 PolarHBondContact NE2-O 2.78Å; N831-H905 PolarHBondContact O-CE1 3.07Å; N831-H905 PolarHBondContact O-NE2 3.25Å
832	K	87.5	Confident	91.3	Very high	39 Å²	39	23.6 Å²	23.6	17%	0.17	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-19.8	179.4	-163.9	-179.5	-175.5	-154.3	0	114.1	E789 Q790 S830 A984 A986	E789-K832 CarbonylContact C-O 3.57Å; E789-K832 WeakPolarHBondContact CA-O 3.47Å; E789-K832 WeakPolarHBondContact OE1-CE 3.44Å; E789-K832 IonicContact OE1-NZ 3.12Å; E789-K832 PolarHBondContact OE1-NZ 3.14Å; E789-K832 WeakPolarHBondContact OE2-CE 3.47Å; E789-K832 IonicContact OE2-NZ 2.83Å; E789-K832 PolarHBondContact OE2-NZ 3.3Å; Q790-K832 PolarHBondContact N-O 2.96Å; S830-K832 PolarHBondContact O-N 3.43Å; K832-A984 HydrophobicContact CD-CB 4.24Å; K832-A984 WeakPolarHBondContact CD-O 3.42Å; K832-A986 HydrophobicContact CB-CB 4.22Å; K832-A986 HydrophobicContact CG-CB 4.39Å
833	L	92.6	Very high	91.2	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	164.8	-171.2	-59.7	-173.1	0	0	0	112	E732 I734 Q786 E789 Q790 S830	E732-L833 HydrophobicContact CB-CD1 3.79Å; E732-L833 HydrophobicContact CB-CG 4.25Å; I734-L833 HydrophobicContact CG1-CD1 4.25Å; Q786-L833 VanDerWaalsContact NE2-CD1 3.33Å; E789-L833 HydrophobicContact CB-CD2 4.47Å; E789-L833 HydrophobicContact CG-CD2 3.92Å; Q790-L833 PolarHBondContact NE2-O 3.35Å; S830-L833 PolarHBondContact N-O 2.96Å; S830-L833 VanDerWaalsContact N-O 3.12Å; S830-L833 CarbonylContact O-C 3.6Å; S830-L833 PolarHBondContact O-N 2.96Å
834	Q	94.2	Very high	90.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.9	172.8	64.1	-173.6	-32.8	0	0	111.8	C787 G788 E789 Q790 D795 L798 R828 R829	C787-Q834 PolarHBondContact N-O 2.98Å; G788-Q834 PolarHBondContact O-N 3.43Å; G788-Q834 VanDerWaalsContact O-N 3.09Å; E789-Q834 PolarHBondContact O-NE2 3.26Å; Q790-Q834 HydrophobicContact CG-CB 4.09Å; Q790-Q834 HydrophobicContact CG-CG 4.31Å; D795-Q834 PolarHBondContact OD1-NE2 3.18Å; D795-Q834 PolarHBondContact OD1-OE1 3.03Å; L798-Q834 HydrophobicContact CD2-CB 4Å; L798-Q834 HydrophobicContact CD2-CG 3.82Å; R828-Q834 CarbonylContact O-C 3.53Å; R828-Q834 WeakPolarHBondContact O-CA 3.41Å; R829-Q834 HydrophobicContact CG-CB 4.08Å
835	G	95.4	Very high	90.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	166.8	174.1	0	0	0	0	0	114.2	L785 L827 R828	L785-G835 CarbonylContact O-C 3.48Å; L785-G835 WeakPolarHBondContact O-CA 3.49Å; L827-G835 CarbonylContact C-O 3.56Å; L827-G835 WeakPolarHBondContact CA-O 3.45Å; R828-G835 PolarHBondContact N-O 3.14Å; R828-G835 PolarHBondContact O-N 3.43Å
836	F	96.6	Very high	90.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140.2	173.1	178.1	-114.7	0	0	0	110.2	L785 L798 F801 V805 A825 G826 I838 M934	L785-F836 HydrophobicContact CB-CB 4.48Å; L785-F836 HydrophobicContact CD1-CD1 4.22Å; L785-F836 PolarHBondContact N-O 3.1Å; L785-F836 PolarHBondContact O-N 2.99Å; L798-F836 HydrophobicContact CD1-CB 4.07Å; F801-F836 HydrophobicContact CD1-CD2 4.27Å; F801-F836 HydrophobicContact CD1-CE2 4.44Å; F801-F836 HydrophobicContact CE1-CD1 4.31Å; F801-F836 HydrophobicContact CE1-CD2 4.03Å; F801-F836 HydrophobicContact CE1-CE1 4.27Å; F801-F836 AromaticContact CE1-CE2 4Å; F801-F836 HydrophobicContact CE1-CE2 4Å; F801-F836 HydrophobicContact CE1-CG 4.18Å; F801-F836 HydrophobicContact CE1-CZ 4.11Å; V805-F836 HydrophobicContact CG2-CE2 3.86Å; V805-F836 HydrophobicContact CG2-CZ 3.86Å; A825-F836 HydrophobicContact CB-CE2 4.07Å; A825-F836 HydrophobicContact CB-CZ 4.11Å; G826-F836 WeakPolarHBondContact O-CD2 3.17Å; F836-I838 HydrophobicContact CE1-CD1 3.67Å; F836-I838 HydrophobicContact CE1-CG1 3.66Å; F836-I838 HydrophobicContact CZ-CD1 3.98Å; F836-I838 HydrophobicContact CZ-CG1 3.74Å; F836-M934 HydrophobicContact CB-CE 3.75Å; F836-M934 HydrophobicContact CB-SD 4.02Å; F836-M934 HydrophobicContact CD1-SD 4.21Å; F836-M934 HydrophobicContact CG-CE 4.37Å; F836-M934 HydrophobicContact CG-SD 4.17Å
837	R	95.8	Very high	90.3	Very high	49 Å²	49	22.9 Å²	22.9	19%	0.185	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.2	176.5	67	167.5	-171.8	101.1	-3.2	112.5	Y782 Y783 A825 G826	Y782-R837 HydrophobicContact CD1-CB 4.33Å; Y782-R837 HydrophobicContact CE1-CB 3.54Å; Y782-R837 HydrophobicContact CE1-CG 4.27Å; Y782-R837 VanDerWaalsContact CZ-CD 3.41Å; Y782-R837 WeakPolarHBondContact OH-CD 3.49Å; Y783-R837 CarbonylContact O-C 3.43Å; Y783-R837 WeakPolarHBondContact O-CA 3.37Å; A825-R837 WeakPolarHBondContact CA-O 3.26Å; G826-R837 PolarHBondContact N-O 2.95Å; G826-R837 VanDerWaalsContact O-CG 3.25Å; G826-R837 WeakPolarHBondContact O-CG 3.43Å; G826-R837 PolarHBondContact O-N 3.26Å
838	I	96.6	Very high	90.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128	162	-62.9	170.3	0	0	0	107.9	Y783 V809 L813 Q824 F836 V840 I853	Y783-I838 WeakPolarHBondContact CB-O 3.26Å; Y783-I838 PolarHBondContact N-O 3.36Å; Y783-I838 PolarHBondContact O-N 3.31Å; V809-I838 HydrophobicContact CG1-CD1 4.42Å; V809-I838 HydrophobicContact CG1-CG1 4.5Å; V809-I838 HydrophobicContact CG1-CG2 4.41Å; V809-I838 HydrophobicContact CG2-CD1 4.32Å; L813-I838 HydrophobicContact CD1-CG2 4.15Å; Q824-I838 CarbonylContact O-C 3.55Å; Q824-I838 WeakPolarHBondContact O-CA 3.07Å; F836-I838 HydrophobicContact CE1-CD1 3.67Å; F836-I838 HydrophobicContact CE1-CG1 3.66Å; F836-I838 HydrophobicContact CZ-CD1 3.98Å; F836-I838 HydrophobicContact CZ-CG1 3.74Å; I838-V840 HydrophobicContact CG2-CG2 3.97Å; I838-I853 HydrophobicContact CB-CD1 4.3Å; I838-I853 HydrophobicContact CD1-CG2 3.75Å; I838-I853 HydrophobicContact CG2-CD1 3.85Å; I838-I853 HydrophobicContact CG2-CG1 4.18Å
839	L	95.6	Very high	90.2	Very high	9 Å²	9	20.4 Å²	20.4	5%	0.047	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.4	178	-180	56.8	0	0	0	109.4	Y643 S646 I781 Y782 V823 Q824	Y643-L839 HydrophobicContact CD2-CD2 3.81Å; Y643-L839 HydrophobicContact CG-CD2 4.48Å; S646-L839 WeakPolarHBondContact OG-CD1 3.48Å; I781-L839 WeakPolarHBondContact O-CA 3.31Å; I781-L839 WeakPolarHBondContact O-CD1 3.42Å; Y782-L839 HydrophobicContact CD2-CD1 3.83Å; Y782-L839 HydrophobicContact CD2-CD2 4.4Å; Y782-L839 HydrophobicContact CE2-CD2 4.48Å; Y782-L839 HydrophobicContact CG-CD1 4.28Å; V823-L839 WeakPolarHBondContact CA-O 3.37Å; Q824-L839 PolarHBondContact N-O 2.94Å; Q824-L839 PolarHBondContact O-N 3.47Å
840	V	94.2	Very high	90.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.3	178.5	-177.6	0	0	0	0	110.1	A780 I781 L819 I822 V823 I838 I849 I853	A780-V840 CarbonylContact C-O 3.54Å; A780-V840 WeakPolarHBondContact CA-O 3.47Å; A780-V840 WeakPolarHBondContact CB-O 3.3Å; I781-V840 HydrophobicContact CG2-CB 3.85Å; I781-V840 HydrophobicContact CG2-CG2 4.41Å; I781-V840 PolarHBondContact N-O 3.04Å; I781-V840 PolarHBondContact O-N 3.49Å; I781-V840 VanDerWaalsContact O-N 3.08Å; L819-V840 HydrophobicContact CB-CG1 4.3Å; I822-V840 VanDerWaalsContact O-CA 3.26Å; I822-V840 WeakPolarHBondContact O-CA 3.37Å; V823-V840 HydrophobicContact CG1-CG2 4.48Å; V823-V840 HydrophobicContact CG2-CG1 4.2Å; V823-V840 HydrophobicContact CG2-CG2 4.28Å; I838-V840 HydrophobicContact CG2-CG2 3.97Å; V840-I849 HydrophobicContact CB-CG2 3.79Å; V840-I849 HydrophobicContact CG1-CD1 4.21Å; V840-I849 HydrophobicContact CG1-CG2 3.82Å; V840-I849 HydrophobicContact CG2-CG2 3.93Å; V840-I853 HydrophobicContact CG2-CD1 4.44Å
841	Q	90.7	Very high	91	Very high	14 Å²	14	21.5 Å²	21.5	7%	0.065	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.6	164.4	-171.7	171.3	-80.1	0	0	109.8	A778 S779 I822	A778-Q841 HydrophobicContact CB-CG 3.71Å; S779-Q841 CarbonylContact O-C 3.48Å; S779-Q841 WeakPolarHBondContact O-CA 3.37Å; S779-Q841 WeakPolarHBondContact O-CG 3.39Å; I822-Q841 HydrophobicContact CB-CB 3.97Å; I822-Q841 HydrophobicContact CD1-CB 4.27Å; I822-Q841 HydrophobicContact CG1-CB 4.43Å; I822-Q841 PolarHBondContact O-N 3.29Å
842	S	88.8	Confident	91.7	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.028	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	155.3	-169.9	-171.4	0	0	0	0	113.1	A778 S779 L819 Y844 I849	A778-S842 CarbonylContact C-O 3.55Å; A778-S842 WeakPolarHBondContact CA-O 3.27Å; S779-S842 PolarHBondContact N-O 3.15Å; S779-S842 PolarHBondContact O-N 2.91Å; L819-S842 WeakPolarHBondContact O-CB 3.48Å; L819-S842 PolarHBondContact O-OG 3.12Å; S842-Y844 VanDerWaalsContact C-N 3.3Å; S842-Y844 WeakPolarHBondContact OG-CB 3.28Å; S842-Y844 WeakPolarHBondContact OG-CD2 3.35Å; S842-Y844 PolarHBondContact OG-N 3.48Å; S842-I849 VanDerWaalsContact CB-CD1 3.41Å
843	S	84.2	Confident	92	Very high	42 Å²	42	17.7 Å²	17.7	29%	0.294	8%	0.084	S	C	.	.	S	Bend	trans	-80.4	-10.5	163.9	59.3	0	0	0	0	113.2	H954 S955	S843-H954 WeakPolarHBondContact O-CB 3.31Å; S843-S955 PolarHBondContact O-N 3.21Å
844	Y	86.5	Confident	92	Very high	60 Å²	60	19 Å²	19	24%	0.235	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-77.7	154.2	171.4	-64.9	-66.5	0	0	0	111.7	L819 S842 K848	L819-Y844 HydrophobicContact CD2-CD2 4.21Å; L819-Y844 HydrophobicContact CD2-CE2 4.43Å; S842-Y844 VanDerWaalsContact C-N 3.3Å; S842-Y844 WeakPolarHBondContact OG-CB 3.28Å; S842-Y844 WeakPolarHBondContact OG-CD2 3.35Å; S842-Y844 PolarHBondContact OG-N 3.48Å; Y844-K848 HydrophobicContact CD1-CD 3.83Å; Y844-K848 HydrophobicContact CE1-CD 4.49Å; Y844-K848 HydrophobicContact CG-CD 3.98Å
845	H	89.1	Confident	91.9	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.037	12%	0.116	C	C	.	.			trans	-63.3	134.8	174.1	-170.5	-88.6	0	0	0	111.2	N847 K848 L949 H954 Y960	H845-N847 WeakPolarHBondContact ND1-CB 3.44Å; H845-N847 PolarHBondContact ND1-N 3.45Å; H845-N847 PolarHBondContact O-N 3.12Å; H845-N847 VanDerWaalsContact O-N 3.07Å; H845-K848 WeakPolarHBondContact O-CB 3.27Å; H845-K848 PolarHBondContact O-N 2.87Å; H845-L949 VanDerWaalsContact NE2-CD2 3.28Å; H845-L949 WeakPolarHBondContact NE2-CD2 3.47Å; H845-H954 HydrophobicContact CB-CB 4.13Å; H845-Y960 PolarHBondContact CE1-O 2.91Å; H845-Y960 PolarHBondContact ND1-O 3.43Å
846	P	90.5	Very high	91.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-53.4	-32	-176.7	-33.2	39.5	0	0	0	115.9	I781 K848 I849 D850 H947 L949	I781-P846 HydrophobicContact CB-CB 4.43Å; P846-K848 VanDerWaalsContact C-N 3.29Å; P846-K848 PolarHBondContact O-N 2.88Å; P846-I849 WeakPolarHBondContact O-CB 3.29Å; P846-I849 PolarHBondContact O-N 3.14Å; P846-I849 VanDerWaalsContact O-N 3.07Å; P846-D850 PolarHBondContact O-N 3.41Å; P846-H947 HydrophobicContact CB-CB 3.85Å; P846-H947 VanDerWaalsContact CB-CG 3.47Å; P846-H947 HydrophobicContact CG-CB 4.16Å; P846-L949 HydrophobicContact CG-CG 4.22Å
847	N	89	Confident	91.7	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-30.6	176.6	-68.8	0.5	0	0	0	113.3	H845 K851 H947 Y960 H963	H845-N847 WeakPolarHBondContact ND1-CB 3.44Å; H845-N847 PolarHBondContact ND1-N 3.45Å; H845-N847 PolarHBondContact O-N 3.12Å; H845-N847 VanDerWaalsContact O-N 3.07Å; N847-K851 WeakPolarHBondContact O-CG 3.26Å; N847-K851 PolarHBondContact O-N 3.31Å; N847-H947 PolarHBondContact OD1-CE1 2.76Å; N847-H947 PolarHBondContact OD1-ND1 2.94Å; N847-Y960 WeakPolarHBondContact CB-O 3.35Å; N847-Y960 PolarHBondContact ND2-O 3.35Å; N847-H963 PolarHBondContact ND2-CE1 3.24Å; N847-H963 VanDerWaalsContact ND2-CE1 3.32Å; N847-H963 PolarHBondContact ND2-ND1 2.97Å
848	K	90.2	Very high	91.6	Very high	40 Å²	40	27.9 Å²	27.9	17%	0.174	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-42.8	171.8	177.7	-179.5	171.4	-174.2	0	110	Y844 H845 P846 K851 C852 Y960	Y844-K848 HydrophobicContact CD1-CD 3.83Å; Y844-K848 HydrophobicContact CE1-CD 4.49Å; Y844-K848 HydrophobicContact CG-CD 3.98Å; H845-K848 WeakPolarHBondContact O-CB 3.27Å; H845-K848 PolarHBondContact O-N 2.87Å; P846-K848 VanDerWaalsContact C-N 3.29Å; P846-K848 PolarHBondContact O-N 2.88Å; K848-K851 PolarHBondContact O-N 2.71Å; K848-C852 PolarHBondContact O-N 2.84Å; K848-C852 PolarHBondContact O-SG 3.09Å; K848-Y960 HydrophobicContact CB-CD1 4.06Å; K848-Y960 HydrophobicContact CB-CD2 4.17Å; K848-Y960 HydrophobicContact CB-CE1 4.06Å; K848-Y960 HydrophobicContact CB-CE2 4.17Å; K848-Y960 HydrophobicContact CB-CG 4.11Å; K848-Y960 HydrophobicContact CD-CE2 4.26Å; K848-Y960 HydrophobicContact CG-CE1 4.38Å; K848-Y960 HydrophobicContact CG-CE2 4.27Å
849	I	91.8	Very high	91.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-42.2	-179.4	-47.8	171.4	0	0	0	110.7	I781 L819 V840 S842 P846 K851 C852 I853	I781-I849 HydrophobicContact CG2-CB 3.87Å; I781-I849 HydrophobicContact CG2-CD1 4.1Å; I781-I849 HydrophobicContact CG2-CG2 3.45Å; I781-I849 VanDerWaalsContact CG2-CG2 3.45Å; L819-I849 HydrophobicContact CD1-CG2 4.14Å; V840-I849 HydrophobicContact CB-CG2 3.79Å; V840-I849 HydrophobicContact CG1-CD1 4.21Å; V840-I849 HydrophobicContact CG1-CG2 3.82Å; V840-I849 HydrophobicContact CG2-CG2 3.93Å; S842-I849 VanDerWaalsContact CB-CD1 3.41Å; P846-I849 WeakPolarHBondContact O-CB 3.29Å; P846-I849 PolarHBondContact O-N 3.14Å; P846-I849 VanDerWaalsContact O-N 3.07Å; I849-K851 VanDerWaalsContact C-N 3.33Å; I849-K851 PolarHBondContact O-N 2.65Å; I849-C852 PolarHBondContact O-N 2.99Å; I849-I853 HydrophobicContact CG2-CD1 4.05Å; I849-I853 HydrophobicContact CG2-CG1 4.47Å; I849-I853 VanDerWaalsContact O-CG1 3.32Å; I849-I853 WeakPolarHBondContact O-CG1 3.44Å; I849-I853 PolarHBondContact O-N 3.06Å
850	D	91.9	Very high	91.5	Very high	24 Å²	24	30.9 Å²	30.9	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-55.1	-49	173.9	-169.7	-72.7	0	0	0	110.9	I781 P846 C852 I853 E854 K943 T945	I781-D850 HydrophobicContact CD1-CB 3.74Å; P846-D850 PolarHBondContact O-N 3.41Å; D850-C852 PolarHBondContact O-N 3.47Å; D850-I853 WeakPolarHBondContact O-CB 3.28Å; D850-I853 PolarHBondContact O-N 3.37Å; D850-I853 VanDerWaalsContact O-N 3.14Å; D850-E854 WeakPolarHBondContact O-CG 2.95Å; D850-E854 PolarHBondContact O-N 2.86Å; D850-K943 IonicContact OD1-NZ 3.55Å; D850-K943 PolarHBondContact OD1-NZ 3.21Å; D850-K943 WeakPolarHBondContact OD2-CE 3.23Å; D850-K943 IonicContact OD2-NZ 3.34Å; D850-K943 PolarHBondContact OD2-NZ 2.87Å; D850-K943 VanDerWaalsContact OD2-NZ 3.12Å; D850-T945 WeakPolarHBondContact OD2-CG2 3.35Å
851	K	91.3	Very high	91.4	Very high	89 Å²	89	32.3 Å²	32.3	39%	0.387	16%	0.163	S	C	.	.	H	α-helix	trans	-59.4	-44.8	175.9	-74.5	174.5	176.1	-175.5	0	112.5	N847 K848 I849 I853 E854 E855 Y960	N847-K851 WeakPolarHBondContact O-CG 3.26Å; N847-K851 PolarHBondContact O-N 3.31Å; K848-K851 PolarHBondContact O-N 2.71Å; I849-K851 VanDerWaalsContact C-N 3.33Å; I849-K851 PolarHBondContact O-N 2.65Å; K851-I853 VanDerWaalsContact C-N 3.3Å; K851-I853 PolarHBondContact O-N 2.86Å; K851-E854 PolarHBondContact O-N 3.38Å; K851-E855 WeakPolarHBondContact O-CB 3.37Å; K851-E855 WeakPolarHBondContact O-CG 3.3Å; K851-E855 PolarHBondContact O-N 2.78Å; K851-Y960 HydrophobicContact CD-CD1 4.2Å; K851-Y960 HydrophobicContact CD-CE1 3.77Å
852	C	93.2	Very high	91.6	Very high	13 Å²	13	37.9 Å²	37.9	9%	0.088	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-36.7	176.4	-67.2	0	0	0	0	112.5	L813 L819 K848 I849 D850 F856	L813-C852 HydrophobicContact CD2-CB 4.32Å; L819-C852 HydrophobicContact CD1-CB 3.73Å; K848-C852 PolarHBondContact O-N 2.84Å; K848-C852 PolarHBondContact O-SG 3.09Å; I849-C852 PolarHBondContact O-N 2.99Å; D850-C852 PolarHBondContact O-N 3.47Å; C852-F856 WeakPolarHBondContact O-CB 3.43Å; C852-F856 PolarHBondContact O-N 3.06Å
853	I	93.7	Very high	91.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-46	174.1	-69.8	166.2	0	0	0	110.3	I781 Y783 L813 I838 V840 I849 D850 K851 F856 L857	I781-I853 HydrophobicContact CD1-CD1 4.39Å; I781-I853 HydrophobicContact CG2-CD1 4.29Å; Y783-I853 HydrophobicContact CD1-CG2 4.05Å; Y783-I853 HydrophobicContact CD2-CB 4.41Å; Y783-I853 HydrophobicContact CD2-CD1 4.15Å; Y783-I853 HydrophobicContact CD2-CG2 3.88Å; Y783-I853 HydrophobicContact CE1-CG2 4.05Å; Y783-I853 HydrophobicContact CE2-CB 4.5Å; Y783-I853 HydrophobicContact CE2-CG2 3.87Å; Y783-I853 HydrophobicContact CG-CD1 4.24Å; Y783-I853 HydrophobicContact CG-CG2 3.97Å; L813-I853 HydrophobicContact CD1-CG1 3.9Å; I838-I853 HydrophobicContact CB-CD1 4.3Å; I838-I853 HydrophobicContact CD1-CG2 3.75Å; I838-I853 HydrophobicContact CG2-CD1 3.85Å; I838-I853 HydrophobicContact CG2-CG1 4.18Å; V840-I853 HydrophobicContact CG2-CD1 4.44Å; I849-I853 HydrophobicContact CG2-CD1 4.05Å; I849-I853 HydrophobicContact CG2-CG1 4.47Å; I849-I853 VanDerWaalsContact O-CG1 3.32Å; I849-I853 WeakPolarHBondContact O-CG1 3.44Å; I849-I853 PolarHBondContact O-N 3.06Å; D850-I853 WeakPolarHBondContact O-CB 3.28Å; D850-I853 PolarHBondContact O-N 3.37Å; D850-I853 VanDerWaalsContact O-N 3.14Å; K851-I853 VanDerWaalsContact C-N 3.3Å; K851-I853 PolarHBondContact O-N 2.86Å; I853-F856 WeakPolarHBondContact O-CB 3.33Å; I853-F856 PolarHBondContact O-N 3.23Å; I853-L857 HydrophobicContact CG2-CD1 4.1Å; I853-L857 HydrophobicContact CG2-CG 4.4Å; I853-L857 WeakPolarHBondContact O-CG 3.3Å; I853-L857 PolarHBondContact O-N 3.46Å
854	E	92.5	Very high	92.4	Very high	34 Å²	34	38.2 Å²	38.2	16%	0.159	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-43.5	177.8	-68.9	-74.9	-161.7	0	0	112	Y783 D850 K851 F856 L857 L858 P936 R941 K943	Y783-E854 PolarHBondContact OH-OE1 3.18Å; Y783-E854 PolarHBondContact OH-OE2 3.46Å; D850-E854 WeakPolarHBondContact O-CG 2.95Å; D850-E854 PolarHBondContact O-N 2.86Å; K851-E854 PolarHBondContact O-N 3.38Å; E854-F856 VanDerWaalsContact C-N 3.32Å; E854-F856 PolarHBondContact O-N 3.23Å; E854-L857 PolarHBondContact O-N 3.3Å; E854-L857 VanDerWaalsContact O-N 3.16Å; E854-L858 WeakPolarHBondContact O-CG 3.45Å; E854-L858 PolarHBondContact O-N 2.98Å; E854-P936 WeakPolarHBondContact OE2-CG 3.44Å; E854-R941 VanDerWaalsContact CD-NH1 3.33Å; E854-R941 IonicContact OE1-CZ 2.65Å; E854-R941 IonicContact OE1-NH1 3.5Å; E854-R941 PolarHBondContact OE1-NH1 2.98Å; E854-R941 IonicContact OE1-NH2 3.91Å; E854-R941 PolarHBondContact OE1-NH2 3.23Å; E854-R941 IonicContact OE2-CZ 3.4Å; E854-R941 VanDerWaalsContact OE2-CZ 3.32Å; E854-R941 IonicContact OE2-NH1 2.84Å; E854-R941 PolarHBondContact OE2-NH1 2.95Å; E854-R941 IonicContact OE2-NH2 3.67Å; E854-R941 PolarHBondContact OE2-NH2 3.35Å; E854-K943 IonicContact OE1-NZ 2.84Å; E854-K943 PolarHBondContact OE1-NZ 3.37Å
855	E	92.8	Very high	92.8	Very high	114 Å²	114	39.7 Å²	39.7	53%	0.533	19%	0.194	S	C	.	.	H	α-helix	trans	-59.5	-41.8	173.7	-75.6	174.8	-176	0	0	111.9	K851 L858	K851-E855 WeakPolarHBondContact O-CB 3.37Å; K851-E855 WeakPolarHBondContact O-CG 3.3Å; K851-E855 PolarHBondContact O-N 2.78Å; E855-L858 PolarHBondContact O-N 2.66Å
856	F	94.6	Very high	93.1	Very high	8 Å²	8	45 Å²	45	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-48	172.5	167.5	-98.4	0	0	0	111.2	P808 V809 K812 L813 C852 I853 E854 L858 T859 V860	P808-F856 HydrophobicContact CB-CE2 4.05Å; P808-F856 HydrophobicContact CB-CZ 4.14Å; V809-F856 HydrophobicContact CB-CE1 4.4Å; V809-F856 HydrophobicContact CB-CZ 4.3Å; V809-F856 HydrophobicContact CG2-CD1 4.1Å; V809-F856 HydrophobicContact CG2-CE1 3.25Å; V809-F856 HydrophobicContact CG2-CE2 4.38Å; V809-F856 HydrophobicContact CG2-CZ 3.42Å; V809-F856 VanDerWaalsContact CG2-CZ 3.42Å; K812-F856 HydrophobicContact CB-CD2 3.96Å; K812-F856 HydrophobicContact CB-CE2 4.36Å; K812-F856 HydrophobicContact CG-CD2 3.98Å; L813-F856 HydrophobicContact CD2-CB 4.4Å; C852-F856 WeakPolarHBondContact O-CB 3.43Å; C852-F856 PolarHBondContact O-N 3.06Å; I853-F856 WeakPolarHBondContact O-CB 3.33Å; I853-F856 PolarHBondContact O-N 3.23Å; E854-F856 VanDerWaalsContact C-N 3.32Å; E854-F856 PolarHBondContact O-N 3.23Å; F856-L858 VanDerWaalsContact C-N 3.25Å; F856-L858 PolarHBondContact O-N 3.18Å; F856-T859 WeakPolarHBondContact O-CA 3.03Å; F856-T859 WeakPolarHBondContact O-CB 3.48Å; F856-T859 PolarHBondContact O-N 2.94Å; F856-T859 PolarHBondContact O-OG1 2.87Å; F856-V860 HydrophobicContact CD1-CG2 4.16Å; F856-V860 HydrophobicContact CE1-CG2 3.6Å; F856-V860 HydrophobicContact CE2-CG2 4.45Å; F856-V860 HydrophobicContact CZ-CG2 3.79Å; F856-V860 PolarHBondContact O-N 3.26Å
857	L	93.7	Very high	93.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-33.4	-179.5	-70.2	175.5	0	0	0	112.6	Y783 L785 I853 E854 T859 V860 F930 P936 R941	Y783-L857 HydrophobicContact CE1-CD1 3.96Å; L785-L857 HydrophobicContact CD1-CD1 4.24Å; I853-L857 HydrophobicContact CG2-CD1 4.1Å; I853-L857 HydrophobicContact CG2-CG 4.4Å; I853-L857 WeakPolarHBondContact O-CG 3.3Å; I853-L857 PolarHBondContact O-N 3.46Å; E854-L857 PolarHBondContact O-N 3.3Å; E854-L857 VanDerWaalsContact O-N 3.16Å; L857-T859 PolarHBondContact O-N 3.3Å; L857-V860 HydrophobicContact CD2-CG2 4.3Å; L857-V860 WeakPolarHBondContact O-CB 2.93Å; L857-V860 PolarHBondContact O-N 2.92Å; L857-V860 VanDerWaalsContact O-N 3.15Å; L857-F930 HydrophobicContact CD2-CE2 4.44Å; L857-F930 WeakPolarHBondContact O-CZ 3.41Å; L857-P936 HydrophobicContact CB-CG 3.99Å; L857-R941 VanDerWaalsContact CD1-NH2 3.28Å
858	L	93.5	Very high	93.6	Very high	113 Å²	113	47.1 Å²	47.1	59%	0.592	24%	0.238	S	C	*	.	H	α-helix	trans	-61.9	-25.2	172.7	-70.2	172.9	0	0	0	113.3	E854 E855 F856 P936	E854-L858 WeakPolarHBondContact O-CG 3.45Å; E854-L858 PolarHBondContact O-N 2.98Å; E855-L858 PolarHBondContact O-N 2.66Å; F856-L858 VanDerWaalsContact C-N 3.25Å; F856-L858 PolarHBondContact O-N 3.18Å; L858-P936 HydrophobicContact CD2-CB 3.95Å; L858-P936 HydrophobicContact CD2-CG 3.81Å; L858-P936 HydrophobicContact CG-CG 4.11Å
859	T	94.5	Very high	93.7	Very high	71 Å²	71	50 Å²	50	44%	0.436	26%	0.255	S	S	.	.	H	α-helix	trans	-86.2	-17.3	177.2	70.9	0	0	0	0	113.4	F856 L857 N861 K862 L863	F856-T859 WeakPolarHBondContact O-CA 3.03Å; F856-T859 WeakPolarHBondContact O-CB 3.48Å; F856-T859 PolarHBondContact O-N 2.94Å; F856-T859 PolarHBondContact O-OG1 2.87Å; L857-T859 PolarHBondContact O-N 3.3Å; T859-N861 PolarHBondContact O-N 3.32Å; T859-K862 PolarHBondContact O-N 3.41Å; T859-L863 PolarHBondContact O-N 3.41Å
860	V	95	Very high	93.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-38.7	-173	172.8	0	0	0	0	112.1	F801 V805 F856 L857 K862 L863 L864 F930	F801-V860 HydrophobicContact CE2-CG1 3.85Å; F801-V860 HydrophobicContact CZ-CG1 4.14Å; V805-V860 HydrophobicContact CG1-CG1 4.2Å; F856-V860 HydrophobicContact CD1-CG2 4.16Å; F856-V860 HydrophobicContact CE1-CG2 3.6Å; F856-V860 HydrophobicContact CE2-CG2 4.45Å; F856-V860 HydrophobicContact CZ-CG2 3.79Å; F856-V860 PolarHBondContact O-N 3.26Å; L857-V860 HydrophobicContact CD2-CG2 4.3Å; L857-V860 WeakPolarHBondContact O-CB 2.93Å; L857-V860 PolarHBondContact O-N 2.92Å; L857-V860 VanDerWaalsContact O-N 3.15Å; V860-K862 VanDerWaalsContact C-N 3.3Å; V860-K862 PolarHBondContact O-N 3.46Å; V860-L863 WeakPolarHBondContact O-CB 3.29Å; V860-L863 PolarHBondContact O-N 2.89Å; V860-L864 HydrophobicContact CG1-CD1 4Å; V860-L864 HydrophobicContact CG1-CG 4.19Å; V860-L864 WeakPolarHBondContact O-CG 3.39Å; V860-L864 PolarHBondContact O-N 3.32Å; V860-F930 HydrophobicContact CB-CD2 4.44Å; V860-F930 HydrophobicContact CB-CE1 4.37Å; V860-F930 HydrophobicContact CB-CE2 3.74Å; V860-F930 HydrophobicContact CB-CZ 3.71Å; V860-F930 HydrophobicContact CG1-CD1 4.5Å; V860-F930 HydrophobicContact CG1-CD2 3.74Å; V860-F930 HydrophobicContact CG1-CE1 4.35Å; V860-F930 HydrophobicContact CG1-CE2 3.54Å; V860-F930 HydrophobicContact CG1-CG 4.23Å; V860-F930 HydrophobicContact CG1-CZ 3.88Å; V860-F930 HydrophobicContact CG2-CE2 4.48Å
861	N	93	Very high	93.7	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.16	29%	0.294	C	S	.	.	H	α-helix	trans	-58.7	-45.1	177.5	-172.4	61.8	0	0	0	111.6	T859 L864 E865 F930 K931	T859-N861 PolarHBondContact O-N 3.32Å; N861-L864 PolarHBondContact O-N 3.27Å; N861-E865 PolarHBondContact ND2-OE1 2.86Å; N861-E865 PolarHBondContact ND2-OE2 2.79Å; N861-E865 WeakPolarHBondContact O-CB 3.4Å; N861-E865 WeakPolarHBondContact O-CG 3.4Å; N861-E865 PolarHBondContact O-N 3.15Å; N861-F930 HydrophobicContact CB-CD1 4.41Å; N861-F930 HydrophobicContact CB-CE1 3.91Å; N861-K931 WeakPolarHBondContact OD1-CE 3.32Å
862	K	94.5	Very high	93.8	Very high	132 Å²	132	54.5 Å²	54.5	57%	0.574	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-41.8	177.1	-178.2	176	178.1	-176.6	0	111.4	T859 V860 L864 E865 D866	T859-K862 PolarHBondContact O-N 3.41Å; V860-K862 VanDerWaalsContact C-N 3.3Å; V860-K862 PolarHBondContact O-N 3.46Å; K862-L864 VanDerWaalsContact C-N 3.3Å; K862-L864 PolarHBondContact O-N 2.96Å; K862-E865 PolarHBondContact O-N 2.68Å; K862-D866 WeakPolarHBondContact CE-OD2 3.28Å; K862-D866 VanDerWaalsContact CG-OD2 3.28Å; K862-D866 WeakPolarHBondContact CG-OD2 3.4Å; K862-D866 VanDerWaalsContact O-CB 3.3Å; K862-D866 WeakPolarHBondContact O-CB 3.32Å; K862-D866 PolarHBondContact O-N 3.08Å
863	L	93.7	Very high	93.8	Very high	51 Å²	51	57.9 Å²	57.9	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-43.9	175.4	-179.4	150.7	0	0	0	111.6	I804 P808 T859 V860 M867	I804-L863 HydrophobicContact CG2-CD2 4.07Å; P808-L863 HydrophobicContact CB-CD1 3.83Å; P808-L863 HydrophobicContact CG-CD1 3.88Å; T859-L863 PolarHBondContact O-N 3.41Å; V860-L863 WeakPolarHBondContact O-CB 3.29Å; V860-L863 PolarHBondContact O-N 2.89Å; L863-M867 HydrophobicContact CD2-CE 4.45Å; L863-M867 WeakPolarHBondContact O-CB 3.26Å; L863-M867 PolarHBondContact O-N 2.91Å
864	L	95.6	Very high	93.7	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-37	177.2	-64.8	174.3	0	0	0	112.5	F801 I804 V860 N861 K862 K923 V926 I927 F930	F801-L864 HydrophobicContact CE2-CD1 4.36Å; I804-L864 HydrophobicContact CD1-CD2 4.34Å; I804-L864 HydrophobicContact CG2-CD2 3.75Å; V860-L864 HydrophobicContact CG1-CD1 4Å; V860-L864 HydrophobicContact CG1-CG 4.19Å; V860-L864 WeakPolarHBondContact O-CG 3.39Å; V860-L864 PolarHBondContact O-N 3.32Å; N861-L864 PolarHBondContact O-N 3.27Å; K862-L864 VanDerWaalsContact C-N 3.3Å; K862-L864 PolarHBondContact O-N 2.96Å; L864-K923 WeakPolarHBondContact O-CD 3.4Å; L864-V926 HydrophobicContact CD1-CG1 4.39Å; L864-V926 HydrophobicContact CD2-CG1 4.27Å; L864-I927 HydrophobicContact CB-CD1 4.32Å; L864-I927 HydrophobicContact CB-CG1 3.71Å; L864-I927 HydrophobicContact CD1-CG1 4.25Å; L864-F930 HydrophobicContact CD1-CB 4.01Å; L864-F930 HydrophobicContact CD1-CD1 4.43Å; L864-F930 HydrophobicContact CD1-CG 4.17Å
865	E	95.4	Very high	93.7	Very high	91 Å²	91	59 Å²	59	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-44.6	178.2	-76.2	173.1	179.5	0	0	111.8	N861 K862 K923 I927 K931	N861-E865 PolarHBondContact ND2-OE1 2.86Å; N861-E865 PolarHBondContact ND2-OE2 2.79Å; N861-E865 WeakPolarHBondContact O-CB 3.4Å; N861-E865 WeakPolarHBondContact O-CG 3.4Å; N861-E865 PolarHBondContact O-N 3.15Å; K862-E865 PolarHBondContact O-N 2.68Å; E865-K923 PolarHBondContact O-NZ 3.23Å; E865-I927 HydrophobicContact CG-CD1 4.07Å; E865-K931 IonicContact OE1-NZ 2.73Å; E865-K931 PolarHBondContact OE1-NZ 3.28Å
866	D	95.5	Very high	93.8	Very high	118 Å²	118	53.9 Å²	53.9	63%	0.631	28%	0.279	S	S	*	.	H	α-helix	trans	-74.6	-21	-177.5	-70.6	-14.5	0	0	0	113.3	K862 S868	K862-D866 WeakPolarHBondContact CE-OD2 3.28Å; K862-D866 VanDerWaalsContact CG-OD2 3.28Å; K862-D866 WeakPolarHBondContact CG-OD2 3.4Å; K862-D866 VanDerWaalsContact O-CB 3.3Å; K862-D866 WeakPolarHBondContact O-CB 3.32Å; K862-D866 PolarHBondContact O-N 3.08Å; D866-S868 PolarHBondContact O-N 3.18Å
867	M	94.6	Very high	93.6	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.039	30%	0.301	C	S	.	.	S	Bend	trans	-58.9	130.5	176.3	179.2	-176.9	-71.7	0	0	111.4	I804 L863 E871 F872 K923	I804-M867 HydrophobicContact CG1-CE 4.32Å; I804-M867 HydrophobicContact CG2-CE 3.53Å; L863-M867 HydrophobicContact CD2-CE 4.45Å; L863-M867 WeakPolarHBondContact O-CB 3.26Å; L863-M867 PolarHBondContact O-N 2.91Å; M867-E871 HydrophobicContact CE-CG 4.37Å; M867-E871 HydrophobicContact CG-CB 3.83Å; M867-E871 HydrophobicContact CG-CG 3.85Å; M867-E871 HydrophobicContact SD-CG 4.36Å; M867-F872 HydrophobicContact CG-CB 4.34Å; M867-F872 VanDerWaalsContact SD-CA 3.59Å; M867-F872 HydrophobicContact SD-CB 3.81Å; M867-F872 HydrophobicContact SD-CD2 4.1Å; M867-F872 HydrophobicContact SD-CG 4.48Å; M867-K923 PolarHBondContact O-NZ 3.01Å
868	S	94.5	Very high	93.4	Very high	50 Å²	50	58.7 Å²	58.7	35%	0.35	30%	0.302	S	S	.	.			trans	-72	158.4	177.5	95.8	0	0	0	0	111.5	D866 E870 E871 F872	D866-S868 PolarHBondContact O-N 3.18Å; S868-E870 VanDerWaalsContact CB-OE2 3.29Å; S868-E870 WeakPolarHBondContact CB-OE2 3.48Å; S868-E870 PolarHBondContact O-N 3.25Å; S868-E870 PolarHBondContact OG-N 3.42Å; S868-E870 PolarHBondContact OG-OE2 2.87Å; S868-E871 PolarHBondContact O-N 3.2Å; S868-E871 PolarHBondContact OG-N 3.33Å; S868-F872 WeakPolarHBondContact O-CB 2.9Å; S868-F872 PolarHBondContact O-N 2.94Å
869	D	93	Very high	93.3	Very high	100 Å²	100	53.3 Å²	53.3	54%	0.535	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-30.2	176.6	-72.9	-22.1	0	0	0	111.3	N873	D869-N873 WeakPolarHBondContact O-CB 3.18Å; D869-N873 PolarHBondContact O-N 3.01Å; D869-N873 PolarHBondContact O-ND2 2.94Å
870	E	91.9	Very high	93.2	Very high	136 Å²	136	50.9 Å²	50.9	64%	0.636	26%	0.258	S	S	*	.	H	α-helix	trans	-64.1	-48.4	172.7	-59.5	75.9	-164.6	0	0	111.6	S868 N873 V874	S868-E870 VanDerWaalsContact CB-OE2 3.29Å; S868-E870 WeakPolarHBondContact CB-OE2 3.48Å; S868-E870 PolarHBondContact O-N 3.25Å; S868-E870 PolarHBondContact OG-N 3.42Å; S868-E870 PolarHBondContact OG-OE2 2.87Å; E870-N873 PolarHBondContact O-N 3.18Å; E870-V874 WeakPolarHBondContact O-CG2 3.48Å; E870-V874 PolarHBondContact O-N 3.45Å
871	E	90.8	Very high	92.8	Very high	65 Å²	65	52.8 Å²	52.8	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-40.9	177.4	-176.5	172.7	-154.4	0	0	111.7	K92 M867 S868 N873 V874 H875	K92-E871 IonicContact NZ-OE1 3.89Å; K92-E871 PolarHBondContact NZ-OE1 2.83Å; M867-E871 HydrophobicContact CE-CG 4.37Å; M867-E871 HydrophobicContact CG-CB 3.83Å; M867-E871 HydrophobicContact CG-CG 3.85Å; M867-E871 HydrophobicContact SD-CG 4.36Å; S868-E871 PolarHBondContact O-N 3.2Å; S868-E871 PolarHBondContact OG-N 3.33Å; E871-N873 VanDerWaalsContact C-N 3.33Å; E871-N873 PolarHBondContact O-N 2.84Å; E871-V874 WeakPolarHBondContact O-CB 3.25Å; E871-V874 PolarHBondContact O-N 2.93Å; E871-V874 VanDerWaalsContact O-N 3.15Å; E871-H875 PolarHBondContact O-CD2 2.84Å; E871-H875 VanDerWaalsContact O-CD2 3.31Å; E871-H875 PolarHBondContact O-N 3.25Å
872	F	94.4	Very high	92.5	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-45.4	173.4	179.9	-98.2	0	0	0	111.7	L800 I804 M867 S868 V874 H875 V876 K922 K923 V926	L800-F872 HydrophobicContact CD2-CE2 4.05Å; L800-F872 HydrophobicContact CD2-CZ 3.79Å; I804-F872 HydrophobicContact CD1-CD2 4.25Å; I804-F872 HydrophobicContact CD1-CE2 4.17Å; M867-F872 HydrophobicContact CG-CB 4.34Å; M867-F872 VanDerWaalsContact SD-CA 3.59Å; M867-F872 HydrophobicContact SD-CB 3.81Å; M867-F872 HydrophobicContact SD-CD2 4.1Å; M867-F872 HydrophobicContact SD-CG 4.48Å; S868-F872 WeakPolarHBondContact O-CB 2.9Å; S868-F872 PolarHBondContact O-N 2.94Å; F872-V874 VanDerWaalsContact C-N 3.26Å; F872-V874 PolarHBondContact O-N 3.35Å; F872-H875 PolarHBondContact O-N 3.49Å; F872-V876 HydrophobicContact CD1-CG2 4.04Å; F872-V876 HydrophobicContact CE1-CG2 3.63Å; F872-V876 HydrophobicContact CZ-CG2 3.98Å; F872-V876 WeakPolarHBondContact O-CG2 3.49Å; F872-V876 PolarHBondContact O-N 2.84Å; F872-K922 VanDerWaalsContact CZ-C 3.47Å; F872-K923 HydrophobicContact CD1-CB 4.46Å; F872-K923 HydrophobicContact CD2-CB 4.04Å; F872-K923 HydrophobicContact CD2-CG 4.08Å; F872-K923 HydrophobicContact CE2-CB 4.19Å; F872-K923 HydrophobicContact CE2-CG 4.47Å; F872-K923 HydrophobicContact CG-CB 4.17Å; F872-K923 HydrophobicContact CG-CG 4.47Å; F872-K923 HydrophobicContact CZ-CB 4.46Å; F872-V926 HydrophobicContact CE2-CG2 3.89Å; F872-V926 HydrophobicContact CZ-CG2 4.21Å
873	N	93.3	Very high	92.3	Very high	84 Å²	84	50.3 Å²	50.3	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-31.6	177.9	-77.1	-45.7	0	0	0	112.3	D869 E870 E871 V876 Q877	D869-N873 WeakPolarHBondContact O-CB 3.18Å; D869-N873 PolarHBondContact O-N 3.01Å; D869-N873 PolarHBondContact O-ND2 2.94Å; E870-N873 PolarHBondContact O-N 3.18Å; E871-N873 VanDerWaalsContact C-N 3.33Å; E871-N873 PolarHBondContact O-N 2.84Å; N873-V876 PolarHBondContact O-N 3.48Å; N873-Q877 WeakPolarHBondContact O-CG 3.44Å; N873-Q877 PolarHBondContact O-N 2.57Å
874	V	90.9	Very high	92.1	Very high	50 Å²	50	51.2 Å²	51.2	30%	0.303	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-46.6	173.6	168.6	0	0	0	0	110.8	D96 E870 E871 F872 V876 Q877 S878	D96-V874 HydrophobicContact CB-CG1 3.79Å; D96-V874 WeakPolarHBondContact O-CG1 3.26Å; E870-V874 WeakPolarHBondContact O-CG2 3.48Å; E870-V874 PolarHBondContact O-N 3.45Å; E871-V874 WeakPolarHBondContact O-CB 3.25Å; E871-V874 PolarHBondContact O-N 2.93Å; E871-V874 VanDerWaalsContact O-N 3.15Å; F872-V874 VanDerWaalsContact C-N 3.26Å; F872-V874 PolarHBondContact O-N 3.35Å; V874-V876 VanDerWaalsContact C-N 3.33Å; V874-V876 PolarHBondContact O-N 2.95Å; V874-Q877 PolarHBondContact O-N 3.5Å; V874-S878 WeakPolarHBondContact O-CB 3.19Å; V874-S878 PolarHBondContact O-N 2.79Å
875	H	92.7	Very high	91.6	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-39	173.5	-69.6	-67.2	0	0	0	113	D96 L800 Q803 I804 E871 F872 S878 L879	D96-H875 IonicContact OD1-CE1 3.41Å; L800-H875 HydrophobicContact CD1-CB 4.31Å; Q803-H875 HydrophobicContact CG-CB 4.22Å; I804-H875 HydrophobicContact CG1-CB 3.87Å; E871-H875 PolarHBondContact O-CD2 2.84Å; E871-H875 VanDerWaalsContact O-CD2 3.31Å; E871-H875 PolarHBondContact O-N 3.25Å; F872-H875 PolarHBondContact O-N 3.49Å; H875-S878 PolarHBondContact O-N 3.19Å; H875-L879 PolarHBondContact O-N 3.18Å
876	V	94.3	Very high	91.1	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-46.9	175.2	169.6	0	0	0	0	111	L800 F872 N873 V874 L879 L880 L918	L800-V876 HydrophobicContact CD1-CG2 4.05Å; L800-V876 HydrophobicContact CD2-CG2 4.16Å; F872-V876 HydrophobicContact CD1-CG2 4.04Å; F872-V876 HydrophobicContact CE1-CG2 3.63Å; F872-V876 HydrophobicContact CZ-CG2 3.98Å; F872-V876 WeakPolarHBondContact O-CG2 3.49Å; F872-V876 PolarHBondContact O-N 2.84Å; N873-V876 PolarHBondContact O-N 3.48Å; V874-V876 VanDerWaalsContact C-N 3.33Å; V874-V876 PolarHBondContact O-N 2.95Å; V876-L879 PolarHBondContact O-N 2.83Å; V876-L880 WeakPolarHBondContact O-CB 3.46Å; V876-L880 PolarHBondContact O-N 3.01Å; V876-L918 HydrophobicContact CG1-CD1 4.35Å; V876-L918 HydrophobicContact CG1-CG 4.13Å; V876-L918 HydrophobicContact CG2-CD1 4.48Å
877	Q	90.9	Very high	90.7	Very high	105 Å²	105	48.8 Å²	48.8	49%	0.491	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-38.1	178.3	-68.1	-51.9	-44.7	0	0	112.5	N873 V874 L880 T881	N873-Q877 WeakPolarHBondContact O-CG 3.44Å; N873-Q877 PolarHBondContact O-N 2.57Å; V874-Q877 PolarHBondContact O-N 3.5Å; Q877-L880 PolarHBondContact O-N 3.22Å; Q877-T881 WeakPolarHBondContact O-CB 3.33Å; Q877-T881 PolarHBondContact O-N 3.33Å; Q877-T881 PolarHBondContact O-OG1 2.82Å
878	S	89.2	Confident	90.1	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-53.4	173.9	170.2	0	0	0	0	111.3	D96 G98 Q803 V874 H875 L880 T881 H882	D96-S878 WeakPolarHBondContact O-CB 3.39Å; G98-S878 WeakPolarHBondContact CA-OG 3.32Å; G98-S878 PolarHBondContact N-OG 3.24Å; Q803-S878 PolarHBondContact NE2-OG 2.9Å; V874-S878 WeakPolarHBondContact O-CB 3.19Å; V874-S878 PolarHBondContact O-N 2.79Å; H875-S878 PolarHBondContact O-N 3.19Å; S878-L880 VanDerWaalsContact C-N 3.32Å; S878-L880 PolarHBondContact O-N 3.34Å; S878-T881 WeakPolarHBondContact O-CB 3.22Å; S878-T881 PolarHBondContact O-N 3.08Å; S878-H882 PolarHBondContact O-N 3.47Å; S878-H882 VanDerWaalsContact O-N 3.12Å
879	L	91.6	Very high	89.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-36.2	178.2	-179.9	60.3	0	0	0	112.1	N799 L800 Q803 H875 V876 T881 H882 L883 L918	N799-L879 HydrophobicContact CB-CD1 4.47Å; N799-L879 HydrophobicContact CB-CD2 4.05Å; L800-L879 HydrophobicContact CB-CD2 3.93Å; L800-L879 HydrophobicContact CD1-CD2 4.33Å; Q803-L879 HydrophobicContact CG-CB 4.4Å; H875-L879 PolarHBondContact O-N 3.18Å; V876-L879 PolarHBondContact O-N 2.83Å; L879-T881 VanDerWaalsContact C-N 3.33Å; L879-T881 PolarHBondContact O-N 2.98Å; L879-H882 PolarHBondContact O-N 2.85Å; L879-L883 HydrophobicContact CD1-CD1 4.4Å; L879-L883 HydrophobicContact CD1-CG 4.19Å; L879-L883 HydrophobicContact CG-CD1 4.08Å; L879-L883 HydrophobicContact CG-CG 4.34Å; L879-L883 WeakPolarHBondContact O-CG 3.28Å; L879-L883 PolarHBondContact O-N 3.44Å; L879-L918 HydrophobicContact CB-CD2 3.93Å; L879-L918 HydrophobicContact CD2-CD1 4Å; L879-L918 HydrophobicContact CD2-CD2 3.87Å; L879-L918 HydrophobicContact CG-CD2 3.72Å
880	L	92	Very high	89.5	Confident	20 Å²	20	43.1 Å²	43.1	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-42.1	175.8	-172.3	67.9	0	0	0	111.4	V876 Q877 S878 H882 L883 L884 A915 L918 K919	V876-L880 WeakPolarHBondContact O-CB 3.46Å; V876-L880 PolarHBondContact O-N 3.01Å; Q877-L880 PolarHBondContact O-N 3.22Å; S878-L880 VanDerWaalsContact C-N 3.32Å; S878-L880 PolarHBondContact O-N 3.34Å; L880-H882 VanDerWaalsContact C-N 3.32Å; L880-H882 PolarHBondContact O-N 3.17Å; L880-L883 PolarHBondContact O-N 2.85Å; L880-L884 HydrophobicContact CD1-CD1 3.74Å; L880-L884 HydrophobicContact CD1-CG 4.1Å; L880-L884 HydrophobicContact CD2-CD1 4.44Å; L880-L884 HydrophobicContact CG-CD1 3.78Å; L880-L884 HydrophobicContact CG-CG 4.35Å; L880-L884 VanDerWaalsContact O-CB 3.3Å; L880-L884 WeakPolarHBondContact O-CB 3.23Å; L880-L884 VanDerWaalsContact O-CG 3.3Å; L880-L884 WeakPolarHBondContact O-CG 3.28Å; L880-L884 PolarHBondContact O-N 3.48Å; L880-A915 HydrophobicContact CD1-CB 3.62Å; L880-L918 HydrophobicContact CB-CD2 4.07Å; L880-L918 HydrophobicContact CD1-CD2 4.35Å; L880-K919 HydrophobicContact CD1-CG 4.41Å
881	T	86.8	Confident	89.5	Confident	39 Å²	39	41.8 Å²	41.8	24%	0.239	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-44.2	175.5	-57.6	0	0	0	0	110.6	Q877 S878 L879 E885	Q877-T881 WeakPolarHBondContact O-CB 3.33Å; Q877-T881 PolarHBondContact O-N 3.33Å; Q877-T881 PolarHBondContact O-OG1 2.82Å; S878-T881 WeakPolarHBondContact O-CB 3.22Å; S878-T881 PolarHBondContact O-N 3.08Å; L879-T881 VanDerWaalsContact C-N 3.33Å; L879-T881 PolarHBondContact O-N 2.98Å; T881-E885 PolarHBondContact O-N 2.97Å; T881-E885 VanDerWaalsContact O-N 3.09Å
882	H	86.7	Confident	89.4	Confident	102 Å²	102	41.6 Å²	41.6	47%	0.472	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-44.9	177.8	-176	55.5	0	0	0	113.1	S878 L879 L880 L884 E885	S878-H882 PolarHBondContact O-N 3.47Å; S878-H882 VanDerWaalsContact O-N 3.12Å; L879-H882 PolarHBondContact O-N 2.85Å; L880-H882 VanDerWaalsContact C-N 3.32Å; L880-H882 PolarHBondContact O-N 3.17Å; H882-L884 PolarHBondContact O-N 3.41Å; H882-E885 IonicContact ND1-OE2 3.46Å; H882-E885 WeakPolarHBondContact O-CB 3.36Å; H882-E885 PolarHBondContact O-N 3.01Å
883	L	89.9	Confident	89.3	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-41.6	178.7	-73.6	173.5	0	0	0	111.9	L879 L880 E885 N911 E914 A915 L918	L879-L883 HydrophobicContact CD1-CD1 4.4Å; L879-L883 HydrophobicContact CD1-CG 4.19Å; L879-L883 HydrophobicContact CG-CD1 4.08Å; L879-L883 HydrophobicContact CG-CG 4.34Å; L879-L883 WeakPolarHBondContact O-CG 3.28Å; L879-L883 PolarHBondContact O-N 3.44Å; L880-L883 PolarHBondContact O-N 2.85Å; L883-E885 VanDerWaalsContact C-N 3.29Å; L883-E885 PolarHBondContact O-N 3.48Å; L883-N911 VanDerWaalsContact O-CB 3.26Å; L883-N911 WeakPolarHBondContact O-CB 3.3Å; L883-N911 PolarHBondContact O-ND2 3.29Å; L883-E914 HydrophobicContact CD1-CB 4.06Å; L883-E914 HydrophobicContact CD2-CB 4.35Å; L883-A915 HydrophobicContact CB-CB 4.44Å; L883-A915 HydrophobicContact CD1-CB 4.48Å; L883-L918 HydrophobicContact CD1-CD2 3.91Å
884	L	89.9	Confident	89.3	Confident	70 Å²	70	40.4 Å²	40.4	37%	0.366	20%	0.199	S	C	.	.	H	α-helix	trans	-84.1	-1.2	-178	-62.6	-178.5	0	0	0	113.8	L880 H882 K886 L912 A915	L880-L884 HydrophobicContact CD1-CD1 3.74Å; L880-L884 HydrophobicContact CD1-CG 4.1Å; L880-L884 HydrophobicContact CD2-CD1 4.44Å; L880-L884 HydrophobicContact CG-CD1 3.78Å; L880-L884 HydrophobicContact CG-CG 4.35Å; L880-L884 VanDerWaalsContact O-CB 3.3Å; L880-L884 WeakPolarHBondContact O-CB 3.23Å; L880-L884 VanDerWaalsContact O-CG 3.3Å; L880-L884 WeakPolarHBondContact O-CG 3.28Å; L880-L884 PolarHBondContact O-N 3.48Å; H882-L884 PolarHBondContact O-N 3.41Å; L884-K886 PolarHBondContact O-N 3.48Å; L884-L912 HydrophobicContact CD2-CD2 3.78Å; L884-A915 HydrophobicContact CD2-CB 3.65Å; L884-A915 HydrophobicContact CG-CB 4.11Å
885	E	85.4	Confident	89.5	Confident	31 Å²	31	39.8 Å²	39.8	15%	0.145	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-57.6	121.4	177.3	-177.2	167.8	-164.7	0	0	110.8	D47 T881 H882 L883 K888 R896	D47-E885 HydrophobicContact CB-CG 4.28Å; T881-E885 PolarHBondContact O-N 2.97Å; T881-E885 VanDerWaalsContact O-N 3.09Å; H882-E885 IonicContact ND1-OE2 3.46Å; H882-E885 WeakPolarHBondContact O-CB 3.36Å; H882-E885 PolarHBondContact O-N 3.01Å; L883-E885 VanDerWaalsContact C-N 3.29Å; L883-E885 PolarHBondContact O-N 3.48Å; E885-K888 WeakPolarHBondContact OE1-CE 3.41Å; E885-K888 IonicContact OE1-NZ 3.41Å; E885-K888 PolarHBondContact OE1-NZ 2.8Å; E885-R896 PolarHBondContact O-NH1 2.8Å
886	K	85.9	Confident	89.4	Confident	115 Å²	115	43.4 Å²	43.4	50%	0.5	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-69.5	143.5	-179.6	-64	179.8	-174.2	173.1	0	110	D47 L884 K888	D47-K886 PolarHBondContact OD2-N 3.37Å; D47-K886 VanDerWaalsContact OD2-N 3.14Å; L884-K886 PolarHBondContact O-N 3.48Å; K886-K888 PolarHBondContact O-N 3.3Å
887	P	86.3	Confident	89.5	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.084	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-57.4	130.2	173.4	-20.5	32.5	0	0	0	110.9	F531 G889 D892 R893	F531-P887 WeakPolarHBondContact CE1-O 3.45Å; F531-P887 HydrophobicContact CZ-CB 4.24Å; F531-P887 WeakPolarHBondContact CZ-O 3.45Å; P887-G889 VanDerWaalsContact C-N 3.28Å; P887-G889 PolarHBondContact O-N 3.36Å; P887-D892 VanDerWaalsContact CA-OD2 3.26Å; P887-D892 WeakPolarHBondContact CA-OD2 3.43Å; P887-D892 HydrophobicContact CB-CB 4.14Å; P887-R893 HydrophobicContact CB-CB 3.99Å; P887-R893 HydrophobicContact CG-CB 4.29Å
888	K	81	Confident	89.7	Confident	32 Å²	32	39.3 Å²	39.3	14%	0.139	20%	0.196	C	C	.	.	S	Bend	trans	-76.3	-17.2	-174.6	-55.9	-54.8	179.2	-163.8	0	113.7	D47 E885 K886	D47-K888 IonicContact OD2-NZ 3.22Å; D47-K888 PolarHBondContact OD2-NZ 2.99Å; E885-K888 WeakPolarHBondContact OE1-CE 3.41Å; E885-K888 IonicContact OE1-NZ 3.41Å; E885-K888 PolarHBondContact OE1-NZ 2.8Å; K886-K888 PolarHBondContact O-N 3.3Å
889	G	86	Confident	89.8	Confident	8 Å²	8	42 Å²	42	8%	0.082	21%	0.214	C	C	.	.	S	Bend	trans	-162.9	174.2	177.2	0	0	0	0	0	112.1	F531 P887 Q891 D892 R893	F531-G889 VanDerWaalsContact CE1-CA 3.46Å; F531-G889 VanDerWaalsContact CZ-C 3.49Å; P887-G889 VanDerWaalsContact C-N 3.28Å; P887-G889 PolarHBondContact O-N 3.36Å; G889-Q891 PolarHBondContact O-N 3.22Å; G889-D892 PolarHBondContact O-N 3.39Å; G889-R893 PolarHBondContact O-N 2.93Å
890	M	90.6	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-36.7	-178.8	-67.3	-176.5	77.5	0	0	112.8	D528 F531 L533 K535 F537 Y694 G695 R893 F894	D528-M890 HydrophobicContact CB-CE 3.79Å; F531-M890 HydrophobicContact CB-CG 3.72Å; F531-M890 HydrophobicContact CB-SD 4.41Å; F531-M890 HydrophobicContact CD2-CB 4.27Å; F531-M890 HydrophobicContact CD2-CG 3.46Å; F531-M890 VanDerWaalsContact CD2-CG 3.46Å; F531-M890 HydrophobicContact CE2-CG 4.33Å; F531-M890 HydrophobicContact CG-CG 3.73Å; L533-M890 HydrophobicContact CB-SD 3.77Å; L533-M890 HydrophobicContact CD1-CG 4.43Å; L533-M890 HydrophobicContact CD1-SD 4.15Å; L533-M890 HydrophobicContact CG-SD 4.41Å; K535-M890 HydrophobicContact CB-CE 4.39Å; K535-M890 HydrophobicContact CB-SD 3.88Å; K535-M890 WeakPolarHBondContact O-CE 3.45Å; F537-M890 HydrophobicContact CD2-CB 4.22Å; F537-M890 HydrophobicContact CD2-CE 4.04Å; F537-M890 HydrophobicContact CE2-CB 3.44Å; F537-M890 VanDerWaalsContact CE2-CB 3.44Å; F537-M890 HydrophobicContact CE2-CE 3.93Å; F537-M890 HydrophobicContact CE2-CG 4.34Å; F537-M890 HydrophobicContact CE2-SD 4.04Å; F537-M890 HydrophobicContact CZ-CB 3.69Å; Y694-M890 HydrophobicContact CE1-CB 3.89Å; Y694-M890 HydrophobicContact CE1-CE 4Å; Y694-M890 HydrophobicContact CE1-CG 4.35Å; Y694-M890 WeakPolarHBondContact CE1-O 3.41Å; G695-M890 VanDerWaalsContact CA-CE 3.47Å; M890-R893 PolarHBondContact O-N 3.34Å; M890-F894 VanDerWaalsContact O-CB 3.28Å; M890-F894 WeakPolarHBondContact O-CB 3.37Å; M890-F894 PolarHBondContact O-N 2.91Å
891	Q	90.7	Very high	89.8	Confident	107 Å²	107	42 Å²	42	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-39.8	-178.6	-171.7	169.9	-18.1	0	0	113.5	F537 G889 F894 G895	F537-Q891 HydrophobicContact CE1-CB 3.69Å; F537-Q891 HydrophobicContact CE1-CG 4.07Å; F537-Q891 HydrophobicContact CZ-CB 4.16Å; G889-Q891 PolarHBondContact O-N 3.22Å; Q891-F894 PolarHBondContact O-N 2.92Å; Q891-G895 PolarHBondContact O-N 2.94Å
892	D	89.2	Confident	89.9	Confident	61 Å²	61	41.9 Å²	41.9	33%	0.326	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-45.5	174.8	-179.4	18.3	0	0	0	110	P887 G889 F894 G895 R896	P887-D892 VanDerWaalsContact CA-OD2 3.26Å; P887-D892 WeakPolarHBondContact CA-OD2 3.43Å; P887-D892 HydrophobicContact CB-CB 4.14Å; G889-D892 PolarHBondContact O-N 3.39Å; D892-F894 VanDerWaalsContact C-N 3.32Å; D892-F894 PolarHBondContact O-N 3.39Å; D892-G895 PolarHBondContact O-N 3.35Å; D892-R896 WeakPolarHBondContact O-CG 3.22Å; D892-R896 PolarHBondContact O-N 3.18Å; D892-R896 IonicContact OD1-CZ 3.18Å; D892-R896 IonicContact OD1-NE 2.6Å; D892-R896 PolarHBondContact OD1-NE 2.83Å; D892-R896 IonicContact OD1-NH2 2.84Å; D892-R896 IonicContact OD2-CZ 2.79Å; D892-R896 IonicContact OD2-NE 2.7Å; D892-R896 PolarHBondContact OD2-NE 3.45Å; D892-R896 IonicContact OD2-NH2 2.72Å; D892-R896 PolarHBondContact OD2-NH2 3.08Å
893	R	92	Very high	89.9	Confident	52 Å²	52	40.2 Å²	40.2	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-47.4	174.7	-175.4	71	-175.4	-173.1	1.4	111.4	E510 F531 Y694 P887 G889 M890 L897	E510-R893 PolarHBondContact O-NH2 3.39Å; F531-R893 HydrophobicContact CE2-CB 4.02Å; F531-R893 HydrophobicContact CE2-CG 4.47Å; Y694-R893 HydrophobicContact CE1-CB 4.37Å; Y694-R893 HydrophobicContact CE1-CG 4.4Å; Y694-R893 HydrophobicContact CE2-CG 4.37Å; P887-R893 HydrophobicContact CB-CB 3.99Å; P887-R893 HydrophobicContact CG-CB 4.29Å; G889-R893 PolarHBondContact O-N 2.93Å; M890-R893 PolarHBondContact O-N 3.34Å; R893-L897 HydrophobicContact CG-CD1 4.06Å; R893-L897 VanDerWaalsContact O-CG 3.28Å; R893-L897 WeakPolarHBondContact O-CG 3.32Å; R893-L897 PolarHBondContact O-N 2.99Å; R893-L897 VanDerWaalsContact O-N 3.14Å
894	F	94.5	Very high	89.8	Confident	14 Å²	14	40.4 Å²	40.4	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-47.4	177.1	-179	-101.9	0	0	0	112.1	F537 T539 T594 F692 Y694 M890 Q891 D892 L897 W898	F537-F894 HydrophobicContact CB-CB 4.43Å; F537-F894 HydrophobicContact CB-CD1 4.45Å; F537-F894 HydrophobicContact CB-CD2 3.46Å; F537-F894 VanDerWaalsContact CB-CD2 3.46Å; F537-F894 HydrophobicContact CB-CE2 3.7Å; F537-F894 HydrophobicContact CB-CG 3.86Å; F537-F894 HydrophobicContact CB-CZ 4.32Å; F537-F894 HydrophobicContact CD1-CB 3.9Å; F537-F894 HydrophobicContact CD1-CD1 4.1Å; F537-F894 HydrophobicContact CD1-CD2 4.35Å; F537-F894 AromaticContact CD1-CG 3.85Å; F537-F894 HydrophobicContact CD1-CG 3.85Å; F537-F894 HydrophobicContact CG-CB 4.3Å; F537-F894 HydrophobicContact CG-CD2 4.23Å; F537-F894 HydrophobicContact CG-CG 4.17Å; T539-F894 WeakPolarHBondContact OG1-CZ 3.33Å; T594-F894 HydrophobicContact CG2-CE1 4.14Å; F692-F894 AromaticContact CD1-CD2 3.64Å; F692-F894 HydrophobicContact CD1-CD2 3.64Å; F692-F894 AromaticContact CD1-CE2 3.22Å; F692-F894 HydrophobicContact CD1-CE2 3.22Å; F692-F894 AromaticContact CD1-CZ 3.93Å; F692-F894 HydrophobicContact CD1-CZ 3.93Å; F692-F894 AromaticContact CE1-CD2 3.4Å; F692-F894 HydrophobicContact CE1-CD2 3.4Å; F692-F894 AromaticContact CE1-CE2 3.53Å; F692-F894 HydrophobicContact CE1-CE2 3.53Å; F692-F894 HydrophobicContact CE1-CG 4.32Å; F692-F894 HydrophobicContact CE1-CZ 4.5Å; F692-F894 HydrophobicContact CG-CE2 4.13Å; F692-F894 HydrophobicContact CZ-CD2 4.38Å; Y694-F894 HydrophobicContact CD1-CB 3.91Å; Y694-F894 AromaticContact CD1-CD2 3.96Å; Y694-F894 HydrophobicContact CD1-CD2 3.96Å; Y694-F894 HydrophobicContact CD1-CG 4.42Å; Y694-F894 HydrophobicContact CE1-CB 4.32Å; Y694-F894 HydrophobicContact CG-CD2 4.3Å; M890-F894 VanDerWaalsContact O-CB 3.28Å; M890-F894 WeakPolarHBondContact O-CB 3.37Å; M890-F894 PolarHBondContact O-N 2.91Å; Q891-F894 PolarHBondContact O-N 2.92Å; D892-F894 VanDerWaalsContact C-N 3.32Å; D892-F894 PolarHBondContact O-N 3.39Å; F894-L897 PolarHBondContact O-N 2.89Å; F894-W898 VanDerWaalsContact O-CB 3.28Å; F894-W898 WeakPolarHBondContact O-CB 3.31Å; F894-W898 PolarHBondContact O-N 3.34Å
895	G	93.8	Very high	89.6	Confident	37 Å²	37	38 Å²	38	38%	0.381	20%	0.203	S	C	.	.	H	α-helix	trans	-60.8	-46.6	179.8	0	0	0	0	0	113.1	Q891 D892 W898 S899	Q891-G895 PolarHBondContact O-N 2.94Å; D892-G895 PolarHBondContact O-N 3.35Å; G895-W898 PolarHBondContact O-N 2.83Å; G895-S899 WeakPolarHBondContact O-CB 3.38Å; G895-S899 PolarHBondContact O-N 3.18Å
896	R	92	Very high	89.9	Confident	83 Å²	83	36.6 Å²	36.6	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-60.6	-46.4	177.5	-67	-176.5	-164.2	-166.3	5.9	111.7	E885 D892 S899 E900	E885-R896 PolarHBondContact O-NH1 2.8Å; D892-R896 WeakPolarHBondContact O-CG 3.22Å; D892-R896 PolarHBondContact O-N 3.18Å; D892-R896 IonicContact OD1-CZ 3.18Å; D892-R896 IonicContact OD1-NE 2.6Å; D892-R896 PolarHBondContact OD1-NE 2.83Å; D892-R896 IonicContact OD1-NH2 2.84Å; D892-R896 IonicContact OD2-CZ 2.79Å; D892-R896 IonicContact OD2-NE 2.7Å; D892-R896 PolarHBondContact OD2-NE 3.45Å; D892-R896 IonicContact OD2-NH2 2.72Å; D892-R896 PolarHBondContact OD2-NH2 3.08Å; R896-S899 PolarHBondContact O-N 3.23Å; R896-E900 PolarHBondContact O-N 2.91Å
897	L	94.9	Very high	90.2	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-68.5	-43.7	-179.9	-66	174.8	0	0	0	112.2	P512 F526 F692 R893 F894 S899 E900 I901 F908	P512-L897 HydrophobicContact CG-CB 4.33Å; P512-L897 HydrophobicContact CG-CD1 3.99Å; P512-L897 HydrophobicContact CG-CD2 3.88Å; P512-L897 HydrophobicContact CG-CG 4.29Å; F526-L897 HydrophobicContact CD1-CD1 3.66Å; F526-L897 HydrophobicContact CE1-CD1 4.06Å; F692-L897 HydrophobicContact CE1-CB 3.84Å; F692-L897 HydrophobicContact CZ-CB 3.81Å; F692-L897 HydrophobicContact CZ-CD1 3.92Å; R893-L897 HydrophobicContact CG-CD1 4.06Å; R893-L897 VanDerWaalsContact O-CG 3.28Å; R893-L897 WeakPolarHBondContact O-CG 3.32Å; R893-L897 PolarHBondContact O-N 2.99Å; R893-L897 VanDerWaalsContact O-N 3.14Å; F894-L897 PolarHBondContact O-N 2.89Å; L897-S899 VanDerWaalsContact C-N 3.28Å; L897-S899 PolarHBondContact O-N 3.4Å; L897-E900 PolarHBondContact O-N 3.2Å; L897-I901 PolarHBondContact O-N 2.91Å; L897-F908 HydrophobicContact CD2-CB 4.26Å; L897-F908 HydrophobicContact CD2-CD1 3.78Å; L897-F908 HydrophobicContact CD2-CG 4.37Å
898	W	94.6	Very high	90.4	Very high	22 Å²	22	31.7 Å²	31.7	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-36.7	176.7	178.2	-103.5	0	0	0	111.9	T539 H541 K592 F692 F894 G895 E900 I901 A902	T539-W898 HydrophobicContact CG2-CD2 4.34Å; T539-W898 HydrophobicContact CG2-CE3 4.29Å; T539-W898 HydrophobicContact CG2-CH2 3.59Å; T539-W898 HydrophobicContact CG2-CZ2 3.67Å; T539-W898 HydrophobicContact CG2-CZ3 3.93Å; H541-W898 HydrophobicContact CB-CH2 4.21Å; H541-W898 HydrophobicContact CB-CZ2 4.39Å; K592-W898 HydrophobicContact CD-CZ2 3.8Å; F692-W898 HydrophobicContact CB-CE3 3.45Å; F692-W898 VanDerWaalsContact CB-CE3 3.45Å; F692-W898 HydrophobicContact CB-CZ3 3.6Å; F692-W898 HydrophobicContact CD1-CB 4.2Å; F692-W898 HydrophobicContact CD1-CE3 4.07Å; F692-W898 HydrophobicContact CG-CE3 4.17Å; F894-W898 VanDerWaalsContact O-CB 3.28Å; F894-W898 WeakPolarHBondContact O-CB 3.31Å; F894-W898 PolarHBondContact O-N 3.34Å; G895-W898 PolarHBondContact O-N 2.83Å; W898-E900 VanDerWaalsContact C-N 3.32Å; W898-E900 PolarHBondContact O-N 3.18Å; W898-I901 HydrophobicContact CE3-CB 4.27Å; W898-I901 HydrophobicContact CE3-CD1 4.39Å; W898-I901 HydrophobicContact CE3-CG2 4.16Å; W898-I901 HydrophobicContact CZ3-CG2 3.92Å; W898-I901 PolarHBondContact O-N 3.29Å; W898-A902 HydrophobicContact CZ2-CB 4.41Å; W898-A902 WeakPolarHBondContact O-CB 3.34Å; W898-A902 PolarHBondContact O-N 3.1Å
899	S	91.8	Very high	90.9	Very high	61 Å²	61	33.6 Å²	33.6	43%	0.427	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-41.3	176.5	-170.8	0	0	0	0	112.2	G895 R896 L897 I901 C903	G895-S899 WeakPolarHBondContact O-CB 3.38Å; G895-S899 PolarHBondContact O-N 3.18Å; R896-S899 PolarHBondContact O-N 3.23Å; L897-S899 VanDerWaalsContact C-N 3.28Å; L897-S899 PolarHBondContact O-N 3.4Å; S899-I901 VanDerWaalsContact C-N 3.34Å; S899-C903 WeakPolarHBondContact O-CB 3.3Å; S899-C903 PolarHBondContact O-N 2.88Å; S899-C903 PolarHBondContact O-SG 3.15Å
900	E	92.3	Very high	91.2	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-68.5	-32.5	177.1	-68.5	-62.9	144.1	0	0	112.6	R896 L897 W898 R904 H905 Y906 N907 F908 R910	R896-E900 PolarHBondContact O-N 2.91Å; L897-E900 PolarHBondContact O-N 3.2Å; W898-E900 VanDerWaalsContact C-N 3.32Å; W898-E900 PolarHBondContact O-N 3.18Å; E900-R904 PolarHBondContact O-N 3.34Å; E900-H905 PolarHBondContact O-N 2.97Å; E900-H905 VanDerWaalsContact O-N 3.12Å; E900-H905 VanDerWaalsContact OE2-CB 3.26Å; E900-H905 WeakPolarHBondContact OE2-CB 3.32Å; E900-Y906 PolarHBondContact O-N 2.85Å; E900-N907 WeakPolarHBondContact OE2-CA 3.42Å; E900-N907 WeakPolarHBondContact OE2-CB 3.5Å; E900-N907 PolarHBondContact OE2-N 3.23Å; E900-F908 HydrophobicContact CB-CD1 3.93Å; E900-F908 HydrophobicContact CB-CE1 3.99Å; E900-F908 HydrophobicContact CG-CD1 4.49Å; E900-R910 IonicContact OE1-CZ 3.34Å; E900-R910 IonicContact OE1-NE 3.56Å; E900-R910 PolarHBondContact OE1-NE 3.29Å; E900-R910 IonicContact OE1-NH2 3.85Å; E900-R910 PolarHBondContact OE1-NH2 3.15Å; E900-R910 IonicContact OE2-NE 3.02Å; E900-R910 IonicContact OE2-NH2 3.68Å; E900-R910 PolarHBondContact OE2-NH2 2.92Å
901	I	92.6	Very high	91.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-52.6	174.4	-66.8	165.6	0	0	0	110.4	W524 E690 F692 L897 W898 S899 C903 R904 F908	W524-I901 HydrophobicContact CB-CD1 3.79Å; W524-I901 HydrophobicContact CD2-CD1 4.21Å; W524-I901 HydrophobicContact CD2-CG1 4.26Å; W524-I901 HydrophobicContact CG-CD1 3.68Å; W524-I901 HydrophobicContact CG-CG1 4.13Å; W524-I901 HydrophobicContact CG-CG2 4.47Å; E690-I901 HydrophobicContact CG-CG2 4.26Å; F692-I901 HydrophobicContact CB-CD1 4.01Å; F692-I901 HydrophobicContact CD1-CD1 4.13Å; F692-I901 HydrophobicContact CD2-CD1 3.77Å; F692-I901 HydrophobicContact CE2-CD1 4.26Å; F692-I901 HydrophobicContact CG-CD1 3.7Å; L897-I901 PolarHBondContact O-N 2.91Å; W898-I901 HydrophobicContact CE3-CB 4.27Å; W898-I901 HydrophobicContact CE3-CD1 4.39Å; W898-I901 HydrophobicContact CE3-CG2 4.16Å; W898-I901 HydrophobicContact CZ3-CG2 3.92Å; W898-I901 PolarHBondContact O-N 3.29Å; S899-I901 VanDerWaalsContact C-N 3.34Å; I901-C903 VanDerWaalsContact C-N 3.34Å; I901-C903 PolarHBondContact O-N 3.15Å; I901-R904 WeakPolarHBondContact O-CA 3.36Å; I901-R904 PolarHBondContact O-N 2.8Å; I901-F908 HydrophobicContact CD1-CE1 4.33Å; I901-F908 HydrophobicContact CD1-CZ 4.5Å; I901-F908 HydrophobicContact CG1-CE1 3.82Å; I901-F908 HydrophobicContact CG1-CZ 3.95Å
902	A	89	Confident	91.4	Very high	36 Å²	36	36 Å²	36	30%	0.298	19%	0.194	S	C	.	.	H	α-helix	trans	-63	-38.1	-175.8	0	0	0	0	0	112.5	W898 R904	W898-A902 HydrophobicContact CZ2-CB 4.41Å; W898-A902 WeakPolarHBondContact O-CB 3.34Å; W898-A902 PolarHBondContact O-N 3.1Å; A902-R904 PolarHBondContact O-N 3.47Å
903	C	85.2	Confident	91.6	Very high	67 Å²	67	35.9 Å²	35.9	45%	0.453	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-5	174.3	-65.9	0	0	0	0	113.4	S899 I901 H905	S899-C903 WeakPolarHBondContact O-CB 3.3Å; S899-C903 PolarHBondContact O-N 2.88Å; S899-C903 PolarHBondContact O-SG 3.15Å; I901-C903 VanDerWaalsContact C-N 3.34Å; I901-C903 PolarHBondContact O-N 3.15Å; C903-H905 PolarHBondContact O-CD2 2.98Å; C903-H905 PolarHBondContact O-N 3.18Å; C903-H905 VanDerWaalsContact O-N 3.13Å
904	R	87.8	Confident	91.7	Very high	13 Å²	13	33.5 Å²	33.5	5%	0.049	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	27	-175.8	-51.4	-176	175.3	86.7	13.8	113.9	E589 E690 E900 I901 A902 Y906 F1003	E589-R904 IonicContact OE1-CZ 3.47Å; E589-R904 IonicContact OE1-NH1 3.95Å; E589-R904 PolarHBondContact OE1-NH1 2.9Å; E589-R904 IonicContact OE1-NH2 2.92Å; E589-R904 PolarHBondContact OE1-NH2 2.92Å; E589-R904 IonicContact OE2-CZ 3.43Å; E589-R904 IonicContact OE2-NH1 3.97Å; E589-R904 IonicContact OE2-NH2 3.91Å; E589-R904 PolarHBondContact OE2-NH2 3.3Å; E690-R904 IonicContact OE2-CZ 2.75Å; E690-R904 IonicContact OE2-NE 3.96Å; E690-R904 IonicContact OE2-NH2 2.78Å; E690-R904 PolarHBondContact OE2-NH2 3.03Å; E900-R904 PolarHBondContact O-N 3.34Å; I901-R904 WeakPolarHBondContact O-CA 3.36Å; I901-R904 PolarHBondContact O-N 2.8Å; A902-R904 PolarHBondContact O-N 3.47Å; R904-Y906 HydrophobicContact CB-CE2 3.89Å; R904-Y906 WeakPolarHBondContact O-CD2 3.46Å; R904-Y906 VanDerWaalsContact O-CE2 3.29Å; R904-Y906 WeakPolarHBondContact O-CE2 3.44Å; R904-F1003 HydrophobicContact CB-CE2 3.98Å
905	H	86.9	Confident	91.8	Very high	21 Å²	21	32.8 Å²	32.8	10%	0.097	18%	0.179	C	C	.	.			trans	-83.2	-37.3	175.2	-74.8	177.9	0	0	0	111	N831 E900 C903 N907 R910 A986 F989	N831-H905 PolarHBondContact O-CE1 3.07Å; N831-H905 PolarHBondContact O-NE2 3.25Å; E900-H905 PolarHBondContact O-N 2.97Å; E900-H905 VanDerWaalsContact O-N 3.12Å; E900-H905 VanDerWaalsContact OE2-CB 3.26Å; E900-H905 WeakPolarHBondContact OE2-CB 3.32Å; C903-H905 PolarHBondContact O-CD2 2.98Å; C903-H905 PolarHBondContact O-N 3.18Å; C903-H905 VanDerWaalsContact O-N 3.13Å; H905-N907 PolarHBondContact O-N 3.31Å; H905-N907 VanDerWaalsContact O-N 3.14Å; H905-R910 PolarHBondContact ND1-NH2 3.18Å; H905-A986 WeakPolarHBondContact NE2-CB 3.36Å; H905-F989 WeakPolarHBondContact O-CB 3.42Å; H905-F989 PolarHBondContact O-N 3.17Å
906	Y	91.2	Very high	91.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.			trans	53.8	29.4	179.5	-44.2	-67.5	0	0	0	114.6	R522 W524 E900 R904 F908 P988 F992 L1001	R522-Y906 PolarHBondContact NH1-OH 2.82Å; W524-Y906 AromaticContact CE2-CE1 3.96Å; W524-Y906 AromaticContact CH2-CD1 3.79Å; W524-Y906 HydrophobicContact CH2-CD1 3.79Å; W524-Y906 AromaticContact CH2-CE1 3.98Å; W524-Y906 HydrophobicContact CH2-CE1 3.98Å; W524-Y906 HydrophobicContact CH2-CG 4.46Å; W524-Y906 AromaticContact CZ2-CD1 3.6Å; W524-Y906 HydrophobicContact CZ2-CD1 3.6Å; W524-Y906 AromaticContact CZ2-CE1 3.3Å; W524-Y906 HydrophobicContact CZ2-CE1 3.3Å; E900-Y906 PolarHBondContact O-N 2.85Å; R904-Y906 HydrophobicContact CB-CE2 3.89Å; R904-Y906 WeakPolarHBondContact O-CD2 3.46Å; R904-Y906 VanDerWaalsContact O-CE2 3.29Å; R904-Y906 WeakPolarHBondContact O-CE2 3.44Å; Y906-F908 VanDerWaalsContact C-N 3.32Å; Y906-F908 HydrophobicContact CD1-CZ 4.27Å; Y906-F908 PolarHBondContact O-N 2.6Å; Y906-P988 HydrophobicContact CD2-CB 3.85Å; Y906-P988 HydrophobicContact CD2-CG 4.3Å; Y906-P988 HydrophobicContact CE2-CB 4.23Å; Y906-P988 HydrophobicContact CE2-CG 4.17Å; Y906-F992 HydrophobicContact CG-CE2 4.2Å; Y906-L1001 HydrophobicContact CD2-CD2 4.07Å; Y906-L1001 HydrophobicContact CE2-CD2 3.69Å
907	N	91.4	Very high	92.1	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.027	18%	0.18	C	C	.	.			trans	-91.4	68.4	173.8	-170.6	1.1	0	0	0	109.7	E900 H905 K909 R910 H913 F989	E900-N907 WeakPolarHBondContact OE2-CA 3.42Å; E900-N907 WeakPolarHBondContact OE2-CB 3.5Å; E900-N907 PolarHBondContact OE2-N 3.23Å; H905-N907 PolarHBondContact O-N 3.31Å; H905-N907 VanDerWaalsContact O-N 3.14Å; N907-K909 PolarHBondContact O-N 3.27Å; N907-R910 HydrophobicContact CB-CB 4.26Å; N907-R910 VanDerWaalsContact O-CB 3.3Å; N907-R910 WeakPolarHBondContact O-CB 3.49Å; N907-R910 PolarHBondContact O-N 3.18Å; N907-R910 WeakPolarHBondContact OD1-CA 3.13Å; N907-R910 PolarHBondContact OD1-N 3.44Å; N907-H913 PolarHBondContact OD1-CE1 3.49Å; N907-H913 PolarHBondContact OD1-ND1 2.98Å; N907-F989 HydrophobicContact CB-CB 3.9Å; N907-F989 HydrophobicContact CB-CD1 3.99Å; N907-F989 HydrophobicContact CB-CD2 4.28Å; N907-F989 HydrophobicContact CB-CG 3.79Å
908	F	92	Very high	92.1	Very high	20 Å²	20	33 Å²	33	9%	0.088	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.9	-176	-60.7	-57.9	0	0	0	114.7	I511 P512 W524 L897 E900 I901 Y906 F992	I511-F908 HydrophobicContact CB-CB 4Å; I511-F908 HydrophobicContact CB-CD2 4Å; I511-F908 HydrophobicContact CB-CG 4.31Å; I511-F908 HydrophobicContact CG2-CB 3.72Å; I511-F908 HydrophobicContact CG2-CD2 4.49Å; P512-F908 HydrophobicContact CB-CE1 4.31Å; P512-F908 HydrophobicContact CB-CE2 4.25Å; P512-F908 HydrophobicContact CB-CZ 4.01Å; P512-F908 HydrophobicContact CG-CD1 3.94Å; P512-F908 HydrophobicContact CG-CD2 4.48Å; P512-F908 HydrophobicContact CG-CE1 3.79Å; P512-F908 HydrophobicContact CG-CE2 4.32Å; P512-F908 HydrophobicContact CG-CG 4.29Å; P512-F908 HydrophobicContact CG-CZ 3.99Å; W524-F908 HydrophobicContact CE3-CE2 4.45Å; W524-F908 HydrophobicContact CE3-CZ 4.15Å; W524-F908 HydrophobicContact CH2-CZ 4.5Å; W524-F908 AromaticContact CZ3-CE2 3.99Å; W524-F908 HydrophobicContact CZ3-CE2 3.99Å; W524-F908 HydrophobicContact CZ3-CZ 4.02Å; L897-F908 HydrophobicContact CD2-CB 4.26Å; L897-F908 HydrophobicContact CD2-CD1 3.78Å; L897-F908 HydrophobicContact CD2-CG 4.37Å; E900-F908 HydrophobicContact CB-CD1 3.93Å; E900-F908 HydrophobicContact CB-CE1 3.99Å; E900-F908 HydrophobicContact CG-CD1 4.49Å; I901-F908 HydrophobicContact CD1-CE1 4.33Å; I901-F908 HydrophobicContact CD1-CZ 4.5Å; I901-F908 HydrophobicContact CG1-CE1 3.82Å; I901-F908 HydrophobicContact CG1-CZ 3.95Å; Y906-F908 VanDerWaalsContact C-N 3.32Å; Y906-F908 HydrophobicContact CD1-CZ 4.27Å; Y906-F908 PolarHBondContact O-N 2.6Å; F908-F992 HydrophobicContact CD2-CE1 4.49Å; F908-F992 AromaticContact CD2-CZ 3.96Å; F908-F992 HydrophobicContact CD2-CZ 3.96Å; F908-F992 HydrophobicContact CE2-CE1 4.02Å; F908-F992 HydrophobicContact CE2-CE2 4.34Å; F908-F992 AromaticContact CE2-CZ 3.54Å; F908-F992 HydrophobicContact CE2-CZ 3.54Å
909	K	91.4	Very high	92.1	Very high	72 Å²	72	37.3 Å²	37.3	31%	0.313	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	22.4	175.7	-66.3	-173.7	172.8	-169.2	0	112.6	E510 I511 N907 N911 L912 H913	E510-K909 VanDerWaalsContact OE2-CE 3.25Å; E510-K909 WeakPolarHBondContact OE2-CE 3.46Å; E510-K909 IonicContact OE2-NZ 3.84Å; E510-K909 PolarHBondContact OE2-NZ 2.93Å; I511-K909 HydrophobicContact CG2-CD 4.4Å; I511-K909 HydrophobicContact CG2-CG 4.02Å; N907-K909 PolarHBondContact O-N 3.27Å; K909-N911 VanDerWaalsContact C-N 3.3Å; K909-N911 PolarHBondContact O-N 3.12Å; K909-L912 HydrophobicContact CB-CB 4.49Å; K909-L912 HydrophobicContact CB-CD1 4.35Å; K909-L912 HydrophobicContact CD-CD1 4.32Å; K909-L912 HydrophobicContact CG-CD1 4.33Å; K909-L912 WeakPolarHBondContact O-CB 3.41Å; K909-L912 PolarHBondContact O-N 2.89Å; K909-H913 PolarHBondContact O-N 3.49Å; K909-H913 PolarHBondContact O-ND1 3.47Å
910	R	91.5	Very high	92.3	Very high	30 Å²	30	38 Å²	38	11%	0.113	20%	0.203	C	C	.	.	H	α-helix	trans	-44.4	-52.3	-177	176.2	179.4	-63	-80.4	-3.1	112.9	D795 E900 H905 N907 L912 H913 E914	D795-R910 IonicContact OD2-NH1 3.82Å; D795-R910 PolarHBondContact OD2-NH1 3.34Å; D795-R910 VanDerWaalsContact OD2-NH1 3.07Å; E900-R910 IonicContact OE1-CZ 3.34Å; E900-R910 IonicContact OE1-NE 3.56Å; E900-R910 PolarHBondContact OE1-NE 3.29Å; E900-R910 IonicContact OE1-NH2 3.85Å; E900-R910 PolarHBondContact OE1-NH2 3.15Å; E900-R910 IonicContact OE2-NE 3.02Å; E900-R910 IonicContact OE2-NH2 3.68Å; E900-R910 PolarHBondContact OE2-NH2 2.92Å; H905-R910 PolarHBondContact ND1-NH2 3.18Å; N907-R910 HydrophobicContact CB-CB 4.26Å; N907-R910 VanDerWaalsContact O-CB 3.3Å; N907-R910 WeakPolarHBondContact O-CB 3.49Å; N907-R910 PolarHBondContact O-N 3.18Å; N907-R910 WeakPolarHBondContact OD1-CA 3.13Å; N907-R910 PolarHBondContact OD1-N 3.44Å; R910-L912 VanDerWaalsContact C-N 3.31Å; R910-L912 PolarHBondContact O-N 2.82Å; R910-H913 PolarHBondContact O-N 2.76Å; R910-H913 VanDerWaalsContact O-N 3.15Å; R910-E914 WeakPolarHBondContact CD-OE1 3.03Å; R910-E914 HydrophobicContact CG-CG 4.21Å; R910-E914 VanDerWaalsContact CG-OE1 3.23Å; R910-E914 WeakPolarHBondContact CG-OE1 3.46Å; R910-E914 IonicContact NH1-OE1 2.88Å; R910-E914 PolarHBondContact O-N 3.45Å
911	N	91.7	Very high	92.4	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-38.1	-177.6	-73	20.2	0	0	0	113.1	L883 K909 A915	L883-N911 VanDerWaalsContact O-CB 3.26Å; L883-N911 WeakPolarHBondContact O-CB 3.3Å; L883-N911 PolarHBondContact O-ND2 3.29Å; K909-N911 VanDerWaalsContact C-N 3.3Å; K909-N911 PolarHBondContact O-N 3.12Å; N911-A915 WeakPolarHBondContact O-CB 3.28Å; N911-A915 PolarHBondContact O-N 3.23Å
912	L	92.6	Very high	92.6	Very high	83 Å²	83	43.7 Å²	43.7	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-67.5	-43.4	176.1	-63.7	176.1	0	0	0	110.7	L884 K909 R910 A915 D916	L884-L912 HydrophobicContact CD2-CD2 3.78Å; K909-L912 HydrophobicContact CB-CB 4.49Å; K909-L912 HydrophobicContact CB-CD1 4.35Å; K909-L912 HydrophobicContact CD-CD1 4.32Å; K909-L912 HydrophobicContact CG-CD1 4.33Å; K909-L912 WeakPolarHBondContact O-CB 3.41Å; K909-L912 PolarHBondContact O-N 2.89Å; R910-L912 VanDerWaalsContact C-N 3.31Å; R910-L912 PolarHBondContact O-N 2.82Å; L912-A915 PolarHBondContact O-N 3.36Å; L912-D916 PolarHBondContact O-N 3.09Å
913	H	93.9	Very high	92.9	Very high	58 Å²	58	43.7 Å²	43.7	27%	0.269	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-45.3	176	-59.7	147.4	0	0	0	112	T792 N907 K909 R910 D916 V917 F989	T792-H913 VanDerWaalsContact CG2-C 3.49Å; T792-H913 HydrophobicContact CG2-CB 3.82Å; T792-H913 WeakPolarHBondContact CG2-O 3.3Å; N907-H913 PolarHBondContact OD1-CE1 3.49Å; N907-H913 PolarHBondContact OD1-ND1 2.98Å; K909-H913 PolarHBondContact O-N 3.49Å; K909-H913 PolarHBondContact O-ND1 3.47Å; R910-H913 PolarHBondContact O-N 2.76Å; R910-H913 VanDerWaalsContact O-N 3.15Å; H913-D916 PolarHBondContact O-N 3.48Å; H913-V917 WeakPolarHBondContact O-CG2 3.3Å; H913-V917 PolarHBondContact O-N 2.94Å; H913-F989 AromaticContact CE1-CE1 3.49Å; H913-F989 VanDerWaalsContact CE1-CE1 3.49Å; H913-F989 WeakPolarHBondContact CE1-CE1 3.38Å; H913-F989 AromaticContact CE1-CZ 3.66Å; H913-F989 AromaticContact ND1-CE1 3.81Å; H913-F989 AromaticContact ND1-CZ 3.62Å
914	E	94.9	Very high	93.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-40.6	176.1	-73.8	-171.4	-146.9	0	0	111	T792 D795 T796 R829 L883 R910 V917 L918	T792-E914 HydrophobicContact CG2-CG 4.3Å; D795-E914 HydrophobicContact CB-CG 4.47Å; T796-E914 WeakPolarHBondContact OG1-CA 3.3Å; T796-E914 WeakPolarHBondContact OG1-CB 3.47Å; T796-E914 PolarHBondContact OG1-O 3.35Å; R829-E914 IonicContact CZ-OE1 2.8Å; R829-E914 IonicContact CZ-OE2 3.64Å; R829-E914 IonicContact NH1-OE1 2.64Å; R829-E914 PolarHBondContact NH1-OE1 3.12Å; R829-E914 IonicContact NH1-OE2 3.72Å; R829-E914 IonicContact NH2-OE1 2.74Å; R829-E914 PolarHBondContact NH2-OE1 3.02Å; R829-E914 IonicContact NH2-OE2 3.76Å; R829-E914 PolarHBondContact NH2-OE2 3.26Å; R829-E914 VanDerWaalsContact NH2-OE2 3.12Å; L883-E914 HydrophobicContact CD1-CB 4.06Å; L883-E914 HydrophobicContact CD2-CB 4.35Å; R910-E914 WeakPolarHBondContact CD-OE1 3.03Å; R910-E914 HydrophobicContact CG-CG 4.21Å; R910-E914 VanDerWaalsContact CG-OE1 3.23Å; R910-E914 WeakPolarHBondContact CG-OE1 3.46Å; R910-E914 IonicContact NH1-OE1 2.88Å; R910-E914 PolarHBondContact O-N 3.45Å; E914-V917 PolarHBondContact O-N 3.41Å; E914-L918 VanDerWaalsContact O-CB 3.28Å; E914-L918 WeakPolarHBondContact O-CB 3.35Å; E914-L918 PolarHBondContact O-N 3.2Å
915	A	95.5	Very high	93.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-38.5	177	0	0	0	0	0	113.3	L880 L883 L884 N911 L912 L918 K919	L880-A915 HydrophobicContact CD1-CB 3.62Å; L883-A915 HydrophobicContact CB-CB 4.44Å; L883-A915 HydrophobicContact CD1-CB 4.48Å; L884-A915 HydrophobicContact CD2-CB 3.65Å; L884-A915 HydrophobicContact CG-CB 4.11Å; N911-A915 WeakPolarHBondContact O-CB 3.28Å; N911-A915 PolarHBondContact O-N 3.23Å; L912-A915 PolarHBondContact O-N 3.36Å; A915-L918 WeakPolarHBondContact O-CB 3.49Å; A915-L918 PolarHBondContact O-N 3.14Å; A915-K919 WeakPolarHBondContact O-CG 3.45Å; A915-K919 PolarHBondContact O-N 3.22Å
916	D	95.5	Very high	94.3	Very high	93 Å²	93	47 Å²	47	50%	0.497	24%	0.236	S	C	.	.	H	α-helix	trans	-69.4	-39	177.4	-75.2	-21.3	0	0	0	112	L912 H913 K919	L912-D916 PolarHBondContact O-N 3.09Å; H913-D916 PolarHBondContact O-N 3.48Å; D916-K919 IonicContact OD1-NZ 2.88Å; D916-K919 PolarHBondContact OD1-NZ 3.18Å
917	V	96.3	Very high	94.6	Very high	35 Å²	35	47.3 Å²	47.3	21%	0.212	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-44.6	171	173.8	0	0	0	0	110.6	T792 L793 T796 H913 E914 K919 S920 L921	T792-V917 HydrophobicContact CG2-CB 4.46Å; T792-V917 HydrophobicContact CG2-CG2 3.7Å; L793-V917 HydrophobicContact CD1-CG1 3.81Å; T796-V917 HydrophobicContact CG2-CG1 4.35Å; H913-V917 WeakPolarHBondContact O-CG2 3.3Å; H913-V917 PolarHBondContact O-N 2.94Å; E914-V917 PolarHBondContact O-N 3.41Å; V917-K919 VanDerWaalsContact C-N 3.28Å; V917-K919 PolarHBondContact O-N 2.75Å; V917-S920 PolarHBondContact O-N 2.84Å; V917-S920 PolarHBondContact O-OG 2.9Å; V917-L921 HydrophobicContact CG1-CD2 4.23Å; V917-L921 HydrophobicContact CG1-CG 4.39Å; V917-L921 PolarHBondContact O-N 3.24Å
918	L	96.8	Very high	94.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55	-41.4	-177.4	-179.3	58.8	0	0	0	112.7	T796 L800 V876 L879 L880 L883 E914 A915 S920 L921	T796-L918 HydrophobicContact CG2-CB 3.6Å; T796-L918 HydrophobicContact CG2-CD1 3.84Å; T796-L918 HydrophobicContact CG2-CG 4.27Å; L800-L918 HydrophobicContact CB-CD1 4.26Å; L800-L918 HydrophobicContact CD1-CD1 4.2Å; L800-L918 HydrophobicContact CD2-CD1 3.88Å; L800-L918 HydrophobicContact CG-CD1 4.34Å; V876-L918 HydrophobicContact CG1-CD1 4.35Å; V876-L918 HydrophobicContact CG1-CG 4.13Å; V876-L918 HydrophobicContact CG2-CD1 4.48Å; L879-L918 HydrophobicContact CB-CD2 3.93Å; L879-L918 HydrophobicContact CD2-CD1 4Å; L879-L918 HydrophobicContact CD2-CD2 3.87Å; L879-L918 HydrophobicContact CG-CD2 3.72Å; L880-L918 HydrophobicContact CB-CD2 4.07Å; L880-L918 HydrophobicContact CD1-CD2 4.35Å; L883-L918 HydrophobicContact CD1-CD2 3.91Å; E914-L918 VanDerWaalsContact O-CB 3.28Å; E914-L918 WeakPolarHBondContact O-CB 3.35Å; E914-L918 PolarHBondContact O-N 3.2Å; A915-L918 WeakPolarHBondContact O-CB 3.49Å; A915-L918 PolarHBondContact O-N 3.14Å; L918-S920 PolarHBondContact O-N 3.16Å; L918-S920 VanDerWaalsContact O-N 3.17Å; L918-L921 HydrophobicContact CD1-CD1 4.31Å; L918-L921 PolarHBondContact O-N 2.97Å
919	K	94.4	Very high	95.1	Very high	113 Å²	113	51.5 Å²	51.5	49%	0.491	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.1	177.6	-67.8	164.6	-165.2	162.4	0	113.6	L880 A915 D916 V917	L880-K919 HydrophobicContact CD1-CG 4.41Å; A915-K919 WeakPolarHBondContact O-CG 3.45Å; A915-K919 PolarHBondContact O-N 3.22Å; D916-K919 IonicContact OD1-NZ 2.88Å; D916-K919 PolarHBondContact OD1-NZ 3.18Å; V917-K919 VanDerWaalsContact C-N 3.28Å; V917-K919 PolarHBondContact O-N 2.75Å
920	S	94.9	Very high	95.3	Very high	75 Å²	75	48.1 Å²	48.1	52%	0.524	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-20.3	-177.8	72.4	0	0	0	0	113.9	V917 L918	V917-S920 PolarHBondContact O-N 2.84Å; V917-S920 PolarHBondContact O-OG 2.9Å; L918-S920 PolarHBondContact O-N 3.16Å; L918-S920 VanDerWaalsContact O-N 3.17Å
921	L	95.7	Very high	95.4	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.058	26%	0.257	C	S	.	.			trans	-65.4	147.2	-175.7	-64.4	-176.3	0	0	0	112.2	L793 T796 L797 L800 V917 L918 D925	L793-L921 HydrophobicContact CD1-CD2 3.87Å; T796-L921 HydrophobicContact CG2-CD1 3.6Å; L797-L921 HydrophobicContact CD2-CD1 3.89Å; L797-L921 HydrophobicContact CD2-CD2 4.06Å; L797-L921 HydrophobicContact CG-CD1 4.23Å; L797-L921 HydrophobicContact CG-CD2 4.43Å; L800-L921 HydrophobicContact CD2-CB 4.44Å; L800-L921 HydrophobicContact CD2-CD1 4.08Å; V917-L921 HydrophobicContact CG1-CD2 4.23Å; V917-L921 HydrophobicContact CG1-CG 4.39Å; V917-L921 PolarHBondContact O-N 3.24Å; L918-L921 HydrophobicContact CD1-CD1 4.31Å; L918-L921 PolarHBondContact O-N 2.97Å; L921-D925 HydrophobicContact CD2-CB 4.41Å
922	K	95.2	Very high	95.5	Very high	130 Å²	130	55.3 Å²	55.3	57%	0.565	27%	0.271	S	S	*	.			trans	-118.4	160.7	176.5	-56	-59.3	172.1	-164.4	0	110.2	F872 N924 D925	F872-K922 VanDerWaalsContact CZ-C 3.47Å; K922-N924 PolarHBondContact O-N 3.33Å; K922-D925 PolarHBondContact N-OD2 2.95Å; K922-D925 WeakPolarHBondContact O-CB 3.39Å; K922-D925 PolarHBondContact O-N 3.33Å
923	K	96	Very high	95.6	Very high	37 Å²	37	52.4 Å²	52.4	16%	0.161	26%	0.255	C	S	.	.	H	α-helix	trans	-51.3	-42.3	176.6	-168.8	173.1	72.6	159.5	0	112.5	L864 E865 M867 F872 D925 V926 I927	L864-K923 WeakPolarHBondContact O-CD 3.4Å; E865-K923 PolarHBondContact O-NZ 3.23Å; M867-K923 PolarHBondContact O-NZ 3.01Å; F872-K923 HydrophobicContact CD1-CB 4.46Å; F872-K923 HydrophobicContact CD2-CB 4.04Å; F872-K923 HydrophobicContact CD2-CG 4.08Å; F872-K923 HydrophobicContact CE2-CB 4.19Å; F872-K923 HydrophobicContact CE2-CG 4.47Å; F872-K923 HydrophobicContact CG-CB 4.17Å; F872-K923 HydrophobicContact CG-CG 4.47Å; F872-K923 HydrophobicContact CZ-CB 4.46Å; K923-D925 VanDerWaalsContact C-N 3.3Å; K923-D925 PolarHBondContact O-N 3.07Å; K923-V926 PolarHBondContact O-N 3.24Å; K923-I927 HydrophobicContact CG-CD1 4.16Å; K923-I927 WeakPolarHBondContact O-CG1 3.43Å; K923-I927 PolarHBondContact O-N 2.62Å; K923-I927 VanDerWaalsContact O-N 3.08Å
924	N	96.6	Very high	95.5	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-62.1	-33	177.9	-72	-12.2	0	0	0	113.4	K922 V926 I927 D928	K922-N924 PolarHBondContact O-N 3.33Å; N924-V926 VanDerWaalsContact C-N 3.29Å; N924-V926 PolarHBondContact O-N 2.87Å; N924-I927 PolarHBondContact O-N 3.34Å; N924-D928 WeakPolarHBondContact O-CB 3.34Å; N924-D928 PolarHBondContact O-N 2.78Å
925	D	97	Very high	95.4	Very high	63 Å²	63	50.5 Å²	50.5	34%	0.337	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-37.3	178.3	-56.1	-48	0	0	0	111	L797 L921 K922 K923 F929	L797-D925 HydrophobicContact CD2-CB 3.91Å; L921-D925 HydrophobicContact CD2-CB 4.41Å; K922-D925 PolarHBondContact N-OD2 2.95Å; K922-D925 WeakPolarHBondContact O-CB 3.39Å; K922-D925 PolarHBondContact O-N 3.33Å; K923-D925 VanDerWaalsContact C-N 3.3Å; K923-D925 PolarHBondContact O-N 3.07Å; D925-F929 WeakPolarHBondContact O-CB 3.23Å; D925-F929 PolarHBondContact O-N 2.67Å
926	V	96.7	Very high	95.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-70.9	-40.8	176	-177.7	0	0	0	0	111.2	L797 L800 F801 I804 L864 F872 K923 N924 F929 F930	L797-V926 HydrophobicContact CD2-CG2 4.36Å; L800-V926 HydrophobicContact CD2-CG2 3.63Å; L800-V926 HydrophobicContact CG-CG2 4.08Å; F801-V926 HydrophobicContact CB-CG1 4.26Å; F801-V926 HydrophobicContact CD2-CG1 4.1Å; I804-V926 HydrophobicContact CD1-CG1 4.2Å; L864-V926 HydrophobicContact CD1-CG1 4.39Å; L864-V926 HydrophobicContact CD2-CG1 4.27Å; F872-V926 HydrophobicContact CE2-CG2 3.89Å; F872-V926 HydrophobicContact CZ-CG2 4.21Å; K923-V926 PolarHBondContact O-N 3.24Å; N924-V926 VanDerWaalsContact C-N 3.29Å; N924-V926 PolarHBondContact O-N 2.87Å; V926-F929 PolarHBondContact O-N 3.02Å; V926-F930 WeakPolarHBondContact O-CB 3.3Å; V926-F930 PolarHBondContact O-N 3.5Å
927	I	97	Very high	94.6	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-47.3	175.5	-68.5	168.2	0	0	0	110.4	L864 E865 K923 N924 F929 F930 K931	L864-I927 HydrophobicContact CB-CD1 4.32Å; L864-I927 HydrophobicContact CB-CG1 3.71Å; L864-I927 HydrophobicContact CD1-CG1 4.25Å; E865-I927 HydrophobicContact CG-CD1 4.07Å; K923-I927 HydrophobicContact CG-CD1 4.16Å; K923-I927 WeakPolarHBondContact O-CG1 3.43Å; K923-I927 PolarHBondContact O-N 2.62Å; K923-I927 VanDerWaalsContact O-N 3.08Å; N924-I927 PolarHBondContact O-N 3.34Å; I927-F929 VanDerWaalsContact C-N 3.34Å; I927-F929 PolarHBondContact O-N 3.45Å; I927-F930 PolarHBondContact O-N 2.96Å; I927-K931 HydrophobicContact CG2-CD 3.94Å; I927-K931 HydrophobicContact CG2-CG 4.37Å; I927-K931 WeakPolarHBondContact O-CB 3.47Å; I927-K931 WeakPolarHBondContact O-CG 3.3Å; I927-K931 PolarHBondContact O-N 3.36Å
928	D	96.7	Very high	94.2	Very high	103 Å²	103	51.3 Å²	51.3	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-65.2	-39.3	179.3	-73.1	-16.1	0	0	0	111.5	N924 K931 R932	N924-D928 WeakPolarHBondContact O-CB 3.34Å; N924-D928 PolarHBondContact O-N 2.78Å; D928-K931 PolarHBondContact O-N 2.94Å; D928-R932 VanDerWaalsContact O-CB 3.31Å; D928-R932 WeakPolarHBondContact O-CB 3.4Å; D928-R932 PolarHBondContact O-N 2.92Å
929	F	96.4	Very high	93.6	Very high	11 Å²	11	55 Å²	55	5%	0.048	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-44.8	174.2	-172.4	-99.8	0	0	0	112	C787 L797 L798 D925 V926 I927 R932 H933 M934	C787-F929 HydrophobicContact CB-CE1 4.46Å; C787-F929 HydrophobicContact CB-CZ 3.91Å; L797-F929 HydrophobicContact CB-CD1 4.29Å; L797-F929 HydrophobicContact CB-CD2 3.93Å; L797-F929 HydrophobicContact CB-CE1 4.5Å; L797-F929 HydrophobicContact CB-CE2 4.17Å; L797-F929 HydrophobicContact CB-CG 3.99Å; L797-F929 HydrophobicContact CB-CZ 4.44Å; L797-F929 HydrophobicContact CD1-CB 4.43Å; L797-F929 HydrophobicContact CD1-CD2 3.87Å; L797-F929 HydrophobicContact CD1-CG 4.35Å; L797-F929 HydrophobicContact CD2-CB 4.48Å; L797-F929 HydrophobicContact CG-CD2 4.49Å; L798-F929 HydrophobicContact CB-CE1 4.03Å; L798-F929 HydrophobicContact CB-CZ 4.03Å; L798-F929 HydrophobicContact CD1-CE1 4.14Å; D925-F929 WeakPolarHBondContact O-CB 3.23Å; D925-F929 PolarHBondContact O-N 2.67Å; V926-F929 PolarHBondContact O-N 3.02Å; I927-F929 VanDerWaalsContact C-N 3.34Å; I927-F929 PolarHBondContact O-N 3.45Å; F929-R932 PolarHBondContact O-N 3.26Å; F929-H933 AromaticContact CD2-CD2 3.78Å; F929-H933 AromaticContact CE2-CD2 3.65Å; F929-H933 PolarHBondContact O-N 3.47Å; F929-M934 HydrophobicContact CD1-CE 4.13Å; F929-M934 HydrophobicContact CE1-CE 3.62Å
930	F	95.8	Very high	93.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-51.5	175	169.9	-98.1	0	0	0	111.8	F801 L857 V860 N861 L864 V926 I927 R932 H933 M934 D935	F801-F930 HydrophobicContact CD2-CB 4.37Å; F801-F930 HydrophobicContact CE2-CB 4.05Å; F801-F930 AromaticContact CE2-CD2 3.5Å; F801-F930 HydrophobicContact CE2-CD2 3.5Å; F801-F930 HydrophobicContact CE2-CE2 4.39Å; F801-F930 HydrophobicContact CE2-CG 4.1Å; F801-F930 AromaticContact CZ-CD2 3.74Å; F801-F930 HydrophobicContact CZ-CD2 3.74Å; F801-F930 HydrophobicContact CZ-CE2 4.32Å; L857-F930 HydrophobicContact CD2-CE2 4.44Å; L857-F930 WeakPolarHBondContact O-CZ 3.41Å; V860-F930 HydrophobicContact CB-CD2 4.44Å; V860-F930 HydrophobicContact CB-CE1 4.37Å; V860-F930 HydrophobicContact CB-CE2 3.74Å; V860-F930 HydrophobicContact CB-CZ 3.71Å; V860-F930 HydrophobicContact CG1-CD1 4.5Å; V860-F930 HydrophobicContact CG1-CD2 3.74Å; V860-F930 HydrophobicContact CG1-CE1 4.35Å; V860-F930 HydrophobicContact CG1-CE2 3.54Å; V860-F930 HydrophobicContact CG1-CG 4.23Å; V860-F930 HydrophobicContact CG1-CZ 3.88Å; V860-F930 HydrophobicContact CG2-CE2 4.48Å; N861-F930 HydrophobicContact CB-CD1 4.41Å; N861-F930 HydrophobicContact CB-CE1 3.91Å; L864-F930 HydrophobicContact CD1-CB 4.01Å; L864-F930 HydrophobicContact CD1-CD1 4.43Å; L864-F930 HydrophobicContact CD1-CG 4.17Å; V926-F930 WeakPolarHBondContact O-CB 3.3Å; V926-F930 PolarHBondContact O-N 3.5Å; I927-F930 PolarHBondContact O-N 2.96Å; F930-R932 PolarHBondContact O-N 3Å; F930-H933 PolarHBondContact O-N 3.42Å; F930-M934 HydrophobicContact CD2-CB 3.64Å; F930-M934 HydrophobicContact CD2-SD 4.33Å; F930-M934 HydrophobicContact CE2-CB 3.82Å; F930-M934 PolarHBondContact O-N 3.29Å; F930-D935 HydrophobicContact CD1-CB 4.21Å; F930-D935 HydrophobicContact CE1-CB 3.67Å; F930-D935 HydrophobicContact CZ-CB 3.97Å; F930-D935 PolarHBondContact O-N 2.9Å
931	K	94.5	Very high	93.2	Very high	80 Å²	80	48.5 Å²	48.5	35%	0.348	25%	0.25	S	C	.	.	H	α-helix	trans	-57.1	-33	178.3	-77.3	-179.5	-177.1	170.7	0	112.3	N861 E865 I927 D928 S938	N861-K931 WeakPolarHBondContact OD1-CE 3.32Å; E865-K931 IonicContact OE1-NZ 2.73Å; E865-K931 PolarHBondContact OE1-NZ 3.28Å; I927-K931 HydrophobicContact CG2-CD 3.94Å; I927-K931 HydrophobicContact CG2-CG 4.37Å; I927-K931 WeakPolarHBondContact O-CB 3.47Å; I927-K931 WeakPolarHBondContact O-CG 3.3Å; I927-K931 PolarHBondContact O-N 3.36Å; D928-K931 PolarHBondContact O-N 2.94Å; K931-S938 WeakPolarHBondContact O-CB 3.01Å; K931-S938 PolarHBondContact O-OG 2.75Å
932	R	93.5	Very high	93	Very high	154 Å²	154	50.3 Å²	50.3	58%	0.581	26%	0.256	S	S	*	.	H	α-helix	trans	-77.5	-49.1	177.8	-173	174.4	-176.3	159.2	0.6	112.7	D928 F929 F930 S938 T940	D928-R932 VanDerWaalsContact O-CB 3.31Å; D928-R932 WeakPolarHBondContact O-CB 3.4Å; D928-R932 PolarHBondContact O-N 2.92Å; F929-R932 PolarHBondContact O-N 3.26Å; F930-R932 PolarHBondContact O-N 3Å; R932-S938 PolarHBondContact O-OG 2.98Å; R932-T940 WeakPolarHBondContact CG-OG1 3.07Å; R932-T940 PolarHBondContact O-OG1 3.48Å
933	H	93.7	Very high	92.9	Very high	23 Å²	23	44.7 Å²	44.7	11%	0.106	23%	0.231	C	C	.	.	H	α-helix	trans	-103.5	-22	-165.1	-69	-65.4	0	0	0	115.1	C787 F929 F930	C787-H933 HydrophobicContact CB-CB 4.19Å; F929-H933 AromaticContact CD2-CD2 3.78Å; F929-H933 AromaticContact CE2-CD2 3.65Å; F929-H933 PolarHBondContact O-N 3.47Å; F930-H933 PolarHBondContact O-N 3.42Å
934	M	93.4	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-31.3	-163.3	-57.4	-179.1	-162.7	0	0	115	L785 C787 L798 F801 F836 F929 F930 R941	L785-M934 HydrophobicContact CD1-CB 3.83Å; L785-M934 HydrophobicContact CD1-CG 3.93Å; C787-M934 WeakPolarHBondContact SG-CE 3.34Å; L798-M934 HydrophobicContact CD1-CE 3.53Å; F801-M934 HydrophobicContact CD1-CE 3.7Å; F801-M934 HydrophobicContact CD1-SD 3.62Å; F801-M934 HydrophobicContact CD2-SD 4.46Å; F801-M934 HydrophobicContact CE1-CE 3.91Å; F801-M934 HydrophobicContact CE1-SD 3.17Å; F801-M934 WeakPolarHBondContact CE1-SD 3.1Å; F801-M934 HydrophobicContact CE2-SD 4.1Å; F801-M934 HydrophobicContact CG-CE 4.21Å; F801-M934 HydrophobicContact CG-SD 4.25Å; F801-M934 HydrophobicContact CZ-SD 3.45Å; F801-M934 WeakPolarHBondContact CZ-SD 3.26Å; F836-M934 HydrophobicContact CB-CE 3.75Å; F836-M934 HydrophobicContact CB-SD 4.02Å; F836-M934 HydrophobicContact CD1-SD 4.21Å; F836-M934 HydrophobicContact CG-CE 4.37Å; F836-M934 HydrophobicContact CG-SD 4.17Å; F929-M934 HydrophobicContact CD1-CE 4.13Å; F929-M934 HydrophobicContact CE1-CE 3.62Å; F930-M934 HydrophobicContact CD2-CB 3.64Å; F930-M934 HydrophobicContact CD2-SD 4.33Å; F930-M934 HydrophobicContact CE2-CB 3.82Å; F930-M934 PolarHBondContact O-N 3.29Å; M934-R941 PolarHBondContact O-NE 2.9Å; M934-R941 PolarHBondContact O-NH2 3.44Å
935	D	92	Very high	92.6	Very high	19 Å²	19	38 Å²	38	10%	0.102	20%	0.198	C	C	.	.			trans	-53.9	128.1	177.8	-169.6	-46.7	0	0	0	110.6	F930 S937 S938 R941	F930-D935 HydrophobicContact CD1-CB 4.21Å; F930-D935 HydrophobicContact CE1-CB 3.67Å; F930-D935 HydrophobicContact CZ-CB 3.97Å; F930-D935 PolarHBondContact O-N 2.9Å; D935-S937 VanDerWaalsContact CG-OG 3.26Å; D935-S937 PolarHBondContact O-N 3.09Å; D935-S937 VanDerWaalsContact O-N 3.09Å; D935-S937 WeakPolarHBondContact OD1-CB 3.36Å; D935-S937 PolarHBondContact OD1-N 3.03Å; D935-S937 PolarHBondContact OD1-OG 3.38Å; D935-S938 VanDerWaalsContact O-CB 3.26Å; D935-S938 WeakPolarHBondContact O-CB 3.49Å; D935-S938 PolarHBondContact O-N 2.93Å; D935-R941 WeakPolarHBondContact O-CD 3.43Å
936	P	88.7	Confident	92.5	Very high	39 Å²	39	35 Å²	35	25%	0.253	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.6	177.4	-26.4	35.9	0	0	0	114.8	E854 L857 L858	E854-P936 WeakPolarHBondContact OE2-CG 3.44Å; L857-P936 HydrophobicContact CB-CG 3.99Å; L858-P936 HydrophobicContact CD2-CB 3.95Å; L858-P936 HydrophobicContact CD2-CG 3.81Å; L858-P936 HydrophobicContact CG-CG 4.11Å
937	S	86.1	Confident	92.4	Very high	91 Å²	91	35.1 Å²	35.1	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.2	177.1	68.5	0	0	0	0	114.7	D935	D935-S937 VanDerWaalsContact CG-OG 3.26Å; D935-S937 PolarHBondContact O-N 3.09Å; D935-S937 VanDerWaalsContact O-N 3.09Å; D935-S937 WeakPolarHBondContact OD1-CB 3.36Å; D935-S937 PolarHBondContact OD1-N 3.03Å; D935-S937 PolarHBondContact OD1-OG 3.38Å
938	S	87.8	Confident	92.1	Very high	16 Å²	16	34.8 Å²	34.8	11%	0.112	18%	0.18	C	C	.	.			trans	-73.4	128.8	-176.2	179.7	0	0	0	0	113.2	K931 R932 D935 T940 R941	K931-S938 WeakPolarHBondContact O-CB 3.01Å; K931-S938 PolarHBondContact O-OG 2.75Å; R932-S938 PolarHBondContact O-OG 2.98Å; D935-S938 VanDerWaalsContact O-CB 3.26Å; D935-S938 WeakPolarHBondContact O-CB 3.49Å; D935-S938 PolarHBondContact O-N 2.93Å; S938-T940 PolarHBondContact O-N 2.99Å; S938-T940 PolarHBondContact OG-N 2.83Å; S938-T940 VanDerWaalsContact OG-N 3.16Å; S938-T940 PolarHBondContact OG-OG1 3.48Å; S938-R941 WeakPolarHBondContact O-CB 3.38Å; S938-R941 PolarHBondContact O-N 3.01Å
939	C	84.4	Confident	91.7	Very high	76 Å²	76	29.9 Å²	29.9	51%	0.514	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.5	172.9	63.9	0	0	0	0	114	G738	G738-C939 CarbonylContact O-C 3.54Å; G738-C939 VanDerWaalsContact O-CA 3.31Å; G738-C939 WeakPolarHBondContact O-CA 3.26Å
940	T	89.1	Confident	91.2	Very high	30 Å²	30	29.5 Å²	29.5	18%	0.184	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	9.5	176.5	57.4	0	0	0	0	112.7	R932 S938	R932-T940 WeakPolarHBondContact CG-OG1 3.07Å; R932-T940 PolarHBondContact O-OG1 3.48Å; S938-T940 PolarHBondContact O-N 2.99Å; S938-T940 PolarHBondContact OG-N 2.83Å; S938-T940 VanDerWaalsContact OG-N 3.16Å; S938-T940 PolarHBondContact OG-OG1 3.48Å
941	R	90.6	Very high	90.2	Very high	22 Å²	22	34.6 Å²	34.6	8%	0.083	18%	0.18	C	C	.	.			trans	-66.7	137	179.1	-162.9	-175.4	-164.6	-151.5	5.2	110.9	E737 G738 Y783 L785 E854 L857 M934 D935 S938	E737-R941 WeakPolarHBondContact CA-O 3.32Å; G738-R941 PolarHBondContact N-O 3.39Å; Y783-R941 PolarHBondContact OH-NH2 3.04Å; L785-R941 HydrophobicContact CD2-CG 4.44Å; E854-R941 VanDerWaalsContact CD-NH1 3.33Å; E854-R941 IonicContact OE1-CZ 2.65Å; E854-R941 IonicContact OE1-NH1 3.5Å; E854-R941 PolarHBondContact OE1-NH1 2.98Å; E854-R941 IonicContact OE1-NH2 3.91Å; E854-R941 PolarHBondContact OE1-NH2 3.23Å; E854-R941 IonicContact OE2-CZ 3.4Å; E854-R941 VanDerWaalsContact OE2-CZ 3.32Å; E854-R941 IonicContact OE2-NH1 2.84Å; E854-R941 PolarHBondContact OE2-NH1 2.95Å; E854-R941 IonicContact OE2-NH2 3.67Å; E854-R941 PolarHBondContact OE2-NH2 3.35Å; L857-R941 VanDerWaalsContact CD1-NH2 3.28Å; M934-R941 PolarHBondContact O-NE 2.9Å; M934-R941 PolarHBondContact O-NH2 3.44Å; D935-R941 WeakPolarHBondContact O-CD 3.43Å; S938-R941 WeakPolarHBondContact O-CB 3.38Å; S938-R941 PolarHBondContact O-N 3.01Å
942	R	92	Very high	89.1	Confident	49 Å²	49	36.9 Å²	36.9	19%	0.185	19%	0.192	C	C	.	.			trans	-125.8	93.2	-179.1	-63.6	176.3	-175.8	-101.6	4	109.8	I735 E737 L785 Q786	I735-R942 HydrophobicContact CB-CB 4.14Å; I735-R942 HydrophobicContact CG2-CB 4.13Å; I735-R942 WeakPolarHBondContact O-CD 3.21Å; I735-R942 WeakPolarHBondContact O-CG 3.35Å; I735-R942 PolarHBondContact O-NH1 2.9Å; E737-R942 VanDerWaalsContact CD-NH2 3.28Å; E737-R942 HydrophobicContact CG-CG 4.2Å; E737-R942 IonicContact OE1-CZ 3.79Å; E737-R942 IonicContact OE1-NE 2.67Å; E737-R942 IonicContact OE1-NH2 3.82Å; E737-R942 PolarHBondContact OE1-NH2 3.39Å; L785-R942 WeakPolarHBondContact CA-O 3.46Å; Q786-R942 HydrophobicContact CB-CB 4.01Å; Q786-R942 PolarHBondContact N-O 3.18Å
943	K	92.8	Very high	87.9	Confident	13 Å²	13	38.8 Å²	38.8	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.7	-173	177.8	179.2	170.8	178.3	0	112.3	F767 Y783 L785 D850 E854 T945	F767-K943 PolarHBondContact N-O 2.92Å; F767-K943 VanDerWaalsContact N-O 3.11Å; Y783-K943 HydrophobicContact CE2-CD 4.09Å; Y783-K943 WeakPolarHBondContact OH-CD 3.25Å; L785-K943 HydrophobicContact CD2-CB 3.9Å; L785-K943 HydrophobicContact CD2-CG 4.16Å; D850-K943 IonicContact OD1-NZ 3.55Å; D850-K943 PolarHBondContact OD1-NZ 3.21Å; D850-K943 WeakPolarHBondContact OD2-CE 3.23Å; D850-K943 IonicContact OD2-NZ 3.34Å; D850-K943 PolarHBondContact OD2-NZ 2.87Å; D850-K943 VanDerWaalsContact OD2-NZ 3.12Å; E854-K943 IonicContact OE1-NZ 2.84Å; E854-K943 PolarHBondContact OE1-NZ 3.37Å; K943-T945 HydrophobicContact CD-CG2 4.46Å; K943-T945 VanDerWaalsContact CE-CG2 3.44Å; K943-T945 HydrophobicContact CG-CG2 4.19Å
944	L	92.9	Very high	86.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.2	166.7	172.3	64.1	0	0	0	109.5	L650 L653 I654 I735 F767 Y784 L970 L976	L650-L944 HydrophobicContact CD1-CD2 3.55Å; L650-L944 HydrophobicContact CD1-CG 4.08Å; L653-L944 HydrophobicContact CB-CD2 4.21Å; L653-L944 HydrophobicContact CD1-CD2 4.38Å; I654-L944 HydrophobicContact CG2-CD2 3.82Å; I735-L944 HydrophobicContact CD1-CB 3.64Å; I735-L944 HydrophobicContact CD1-CD2 4.14Å; F767-L944 HydrophobicContact CB-CD1 3.69Å; F767-L944 WeakPolarHBondContact O-CA 3.5Å; Y784-L944 WeakPolarHBondContact CA-O 3.4Å; Y784-L944 WeakPolarHBondContact CB-O 3.19Å; Y784-L944 HydrophobicContact CD1-CB 4.47Å; Y784-L944 PolarHBondContact N-O 2.96Å; Y784-L944 PolarHBondContact O-N 3.4Å; Y784-L944 VanDerWaalsContact O-O 3.12Å; L944-L970 HydrophobicContact CD1-CD1 4.13Å; L944-L976 HydrophobicContact CD1-CD2 4.47Å; L944-L976 HydrophobicContact CD2-CD2 3.9Å
945	T	93.9	Very high	85	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.3	178.6	54.5	0	0	0	0	110.6	F767 L768 Y769 Y782 Y783 D850 K943	F767-T945 PolarHBondContact O-N 2.91Å; F767-T945 PolarHBondContact O-OG1 3.44Å; L768-T945 CarbonylContact C-O 3.56Å; L768-T945 WeakPolarHBondContact CA-O 3.45Å; L768-T945 WeakPolarHBondContact CD1-OG1 3.32Å; Y769-T945 PolarHBondContact N-O 3.15Å; Y782-T945 WeakPolarHBondContact O-CA 3.46Å; Y783-T945 HydrophobicContact CD2-CG2 3.7Å; Y783-T945 HydrophobicContact CE2-CG2 4.07Å; Y783-T945 HydrophobicContact CG-CG2 4.33Å; D850-T945 WeakPolarHBondContact OD2-CG2 3.35Å; K943-T945 HydrophobicContact CD-CG2 4.46Å; K943-T945 VanDerWaalsContact CE-CG2 3.44Å; K943-T945 HydrophobicContact CG-CG2 4.19Å
946	V	94.6	Very high	83.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.2	174.2	176.3	0	0	0	0	108.6	Y649 L650 L653 Y769 I781 Y782 V948	Y649-V946 HydrophobicContact CD2-CG1 4.5Å; L650-V946 HydrophobicContact CB-CG2 4.09Å; L650-V946 HydrophobicContact CD1-CG2 4.25Å; L653-V946 HydrophobicContact CD1-CG2 3.61Å; Y769-V946 HydrophobicContact CD1-CG1 4.14Å; Y769-V946 CarbonylContact O-C 3.58Å; Y769-V946 WeakPolarHBondContact O-CA 3.46Å; I781-V946 WeakPolarHBondContact CA-O 3.21Å; Y782-V946 PolarHBondContact N-O 2.6Å; Y782-V946 PolarHBondContact O-N 3.35Å; V946-V948 HydrophobicContact CG1-CG2 4.34Å
947	H	93.8	Very high	81.9	Confident	2 Å²	2	44 Å²	44	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.5	176.2	-63.1	-178.8	0	0	0	109.2	L768 Y769 Q770 R771 I781 P846 N847 L949	L768-H947 HydrophobicContact CD1-CB 4.1Å; L768-H947 VanDerWaalsContact CD1-CG 3.45Å; L768-H947 WeakPolarHBondContact CD1-ND1 3.28Å; Y769-H947 PolarHBondContact O-N 3.12Å; Q770-H947 CarbonylContact C-O 3.5Å; Q770-H947 WeakPolarHBondContact CA-O 3.31Å; Q770-H947 HydrophobicContact CG-CB 4.21Å; R771-H947 PolarHBondContact N-O 3.45Å; I781-H947 VanDerWaalsContact CD1-NE2 3.34Å; I781-H947 WeakPolarHBondContact CD1-NE2 3.26Å; P846-H947 HydrophobicContact CB-CB 3.85Å; P846-H947 VanDerWaalsContact CB-CG 3.47Å; P846-H947 HydrophobicContact CG-CB 4.16Å; N847-H947 PolarHBondContact OD1-CE1 2.76Å; N847-H947 PolarHBondContact OD1-ND1 2.94Å; H947-L949 HydrophobicContact CB-CD1 3.88Å
948	V	90.8	Very high	80.5	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	107.9	168.9	179.8	0	0	0	0	107.1	A642 Q645 Y649 R771 I773 S779 A780 V946	A642-V948 HydrophobicContact CB-CB 4.29Å; A642-V948 HydrophobicContact CB-CG1 3.91Å; Q645-V948 HydrophobicContact CB-CG1 4.46Å; Q645-V948 HydrophobicContact CB-CG2 4.36Å; Y649-V948 HydrophobicContact CD2-CG2 3.98Å; Y649-V948 HydrophobicContact CE2-CG2 4.19Å; R771-V948 CarbonylContact O-C 3.52Å; R771-V948 WeakPolarHBondContact O-CA 3.32Å; I773-V948 HydrophobicContact CB-CG1 4.38Å; I773-V948 HydrophobicContact CD1-CG1 3.56Å; I773-V948 HydrophobicContact CG1-CG1 3.8Å; I773-V948 HydrophobicContact CG2-CG1 3.67Å; S779-V948 CarbonylContact C-O 3.6Å; S779-V948 WeakPolarHBondContact CA-O 3.48Å; S779-V948 WeakPolarHBondContact CB-O 3.39Å; A780-V948 PolarHBondContact N-O 2.97Å; A780-V948 PolarHBondContact O-N 2.79Å; V946-V948 HydrophobicContact CG1-CG2 4.34Å
949	L	90.1	Very high	79.3	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.7	-173.6	-60.6	96.6	0	0	0	110.4	Q770 R771 Y772 I773 H845 P846 H947	Q770-L949 HydrophobicContact CB-CD1 4.01Å; Q770-L949 HydrophobicContact CG-CD1 4.43Å; R771-L949 PolarHBondContact O-N 3.49Å; Y772-L949 CarbonylContact C-O 3.5Å; Y772-L949 WeakPolarHBondContact CA-O 3.49Å; Y772-L949 HydrophobicContact CD1-CB 3.78Å; Y772-L949 HydrophobicContact CE1-CB 3.91Å; Y772-L949 HydrophobicContact CE1-CD1 4.44Å; Y772-L949 HydrophobicContact CE1-CD2 3.96Å; Y772-L949 HydrophobicContact CE1-CG 4.32Å; Y772-L949 HydrophobicContact CE2-CD1 4.49Å; Y772-L949 HydrophobicContact CG-CB 4.4Å; I773-L949 WeakPolarHBondContact CG1-O 3.4Å; I773-L949 PolarHBondContact N-O 3.13Å; H845-L949 VanDerWaalsContact NE2-CD2 3.28Å; H845-L949 WeakPolarHBondContact NE2-CD2 3.47Å; P846-L949 HydrophobicContact CG-CG 4.22Å; H947-L949 HydrophobicContact CB-CD1 3.88Å
950	S	84.6	Confident	78.5	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	147.1	163.9	179.1	0	0	0	0	110.9	Q776 S779 E952 H954	Q776-S950 VanDerWaalsContact O-CB 3.27Å; Q776-S950 WeakPolarHBondContact O-CB 3.47Å; Q776-S950 PolarHBondContact O-OG 2.88Å; S779-S950 PolarHBondContact OG-N 3.12Å; S950-E952 VanDerWaalsContact C-N 3.26Å; S950-E952 WeakPolarHBondContact OG-CB 3.21Å; S950-E952 PolarHBondContact OG-N 3.08Å; S950-H954 PolarHBondContact O-CE1 3.36Å
951	N	75.2	Confident	77.2	Confident	107 Å²	107	52.9 Å²	52.9	57%	0.572	27%	0.272	S	S	*	.	S	Bend	trans	-78.5	-7.3	168.5	-72.1	-16.7	0	0	0	113.5	I773	I773-N951 PolarHBondContact O-N 3.29Å; I773-N951 VanDerWaalsContact O-N 3.08Å
952	E	71.4	Confident	75.8	Confident	128 Å²	128	58.9 Å²	58.9	60%	0.598	31%	0.306	S	S	*	.	S	Bend	trans	-70	153.2	170.2	-64.4	-88.4	158.8	0	0	109.8	S950 H954	S950-E952 VanDerWaalsContact C-N 3.26Å; S950-E952 WeakPolarHBondContact OG-CB 3.21Å; S950-E952 PolarHBondContact OG-N 3.08Å; E952-H954 PolarHBondContact O-N 3.42Å
953	K	67.4	Low	74.6	Confident	194 Å²	194	59.5 Å²	59.5	84%	0.843	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.6	126.2	177.7	-73.2	-178.3	177.6	178.7	0	110
954	H	66.7	Low	73.2	Confident	23 Å²	23	64.2 Å²	64.2	11%	0.106	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-80.3	153.6	174.5	-45.7	71.2	0	0	0	110.7	S779 S843 H845 S950 E952 C956 D957	S779-H954 PolarHBondContact OG-CD2 3.34Å; S779-H954 VanDerWaalsContact OG-CD2 3.25Å; S779-H954 PolarHBondContact OG-NE2 2.96Å; S843-H954 WeakPolarHBondContact O-CB 3.31Å; H845-H954 HydrophobicContact CB-CB 4.13Å; S950-H954 PolarHBondContact O-CE1 3.36Å; E952-H954 PolarHBondContact O-N 3.42Å; H954-C956 PolarHBondContact O-N 3.44Å; H954-C956 VanDerWaalsContact O-N 3.15Å; H954-D957 WeakPolarHBondContact CB-OD1 3.21Å; H954-D957 IonicContact CG-OD1 3.55Å; H954-D957 PolarHBondContact N-OD1 3.2Å; H954-D957 PolarHBondContact N-OD2 3.38Å; H954-D957 IonicContact ND1-OD1 2.81Å; H954-D957 PolarHBondContact ND1-OD1 3.25Å; H954-D957 IonicContact ND1-OD2 3.84Å; H954-D957 PolarHBondContact O-N 2.92Å
955	S	60.1	Low	71.5	Confident	55 Å²	55	73.7 Å²	73.7	39%	0.385	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-60.8	118.7	166.9	-60.3	0	0	0	0	109.2	S843	S843-S955 PolarHBondContact O-N 3.21Å
956	C	57	Low	70.6	Confident	71 Å²	71	79.2 Å²	79.2	48%	0.48	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	31.4	178.9	-49.1	0	0	0	0	116.8	H954 S958 E959	H954-C956 PolarHBondContact O-N 3.44Å; H954-C956 VanDerWaalsContact O-N 3.15Å; C956-S958 VanDerWaalsContact C-N 3.26Å; C956-S958 PolarHBondContact O-N 2.89Å; C956-S958 VanDerWaalsContact O-N 3.07Å; C956-E959 PolarHBondContact O-N 3.46Å
957	D	59.4	Low	69.8	Low	42 Å²	42	80.9 Å²	80.9	23%	0.225	42%	0.415	C	S	.	.	H	α-helix	trans	-45	-40.9	-178.9	-89.8	-25.5	0	0	0	115.9	H954 E959 Y960 N961	H954-D957 WeakPolarHBondContact CB-OD1 3.21Å; H954-D957 IonicContact CG-OD1 3.55Å; H954-D957 PolarHBondContact N-OD1 3.2Å; H954-D957 PolarHBondContact N-OD2 3.38Å; H954-D957 IonicContact ND1-OD1 2.81Å; H954-D957 PolarHBondContact ND1-OD1 3.25Å; H954-D957 IonicContact ND1-OD2 3.84Å; H954-D957 PolarHBondContact O-N 2.92Å; D957-E959 PolarHBondContact O-N 3.18Å; D957-E959 VanDerWaalsContact O-N 3.14Å; D957-Y960 PolarHBondContact O-N 3.17Å; D957-N961 PolarHBondContact O-ND2 2.88Å; D957-N961 VanDerWaalsContact O-ND2 3.16Å; D957-N961 PolarHBondContact O-OD1 2.63Å
958	S	56.8	Low	69.3	Low	111 Å²	111	82.2 Å²	82.2	78%	0.776	42%	0.422	S	S	*	.	H	α-helix	trans	-64.9	-24.3	-169.8	53.7	0	0	0	0	114.7	C956	C956-S958 VanDerWaalsContact C-N 3.26Å; C956-S958 PolarHBondContact O-N 2.89Å; C956-S958 VanDerWaalsContact O-N 3.07Å
959	E	62.3	Low	69.1	Low	143 Å²	143	84.9 Å²	84.9	67%	0.668	44%	0.439	S	S	*	.	H	α-helix	trans	-91.2	-18.2	-173.8	-68.7	-178.3	174.5	0	0	113.7	C956 D957	C956-E959 PolarHBondContact O-N 3.46Å; D957-E959 PolarHBondContact O-N 3.18Å; D957-E959 VanDerWaalsContact O-N 3.14Å
960	Y	66.9	Low	69	Low	52 Å²	52	85.2 Å²	85.2	20%	0.204	44%	0.44	C	S	.	.	H	α-helix	trans	-123	9	-166.9	-65.6	-80.3	0	0	0	114.7	H845 N847 K848 K851 D957 N962	H845-Y960 PolarHBondContact CE1-O 2.91Å; H845-Y960 PolarHBondContact ND1-O 3.43Å; N847-Y960 WeakPolarHBondContact CB-O 3.35Å; N847-Y960 PolarHBondContact ND2-O 3.35Å; K848-Y960 HydrophobicContact CB-CD1 4.06Å; K848-Y960 HydrophobicContact CB-CD2 4.17Å; K848-Y960 HydrophobicContact CB-CE1 4.06Å; K848-Y960 HydrophobicContact CB-CE2 4.17Å; K848-Y960 HydrophobicContact CB-CG 4.11Å; K848-Y960 HydrophobicContact CD-CE2 4.26Å; K848-Y960 HydrophobicContact CG-CE1 4.38Å; K848-Y960 HydrophobicContact CG-CE2 4.27Å; K851-Y960 HydrophobicContact CD-CD1 4.2Å; K851-Y960 HydrophobicContact CD-CE1 3.77Å; D957-Y960 PolarHBondContact O-N 3.17Å; Y960-N962 VanDerWaalsContact C-N 3.28Å; Y960-N962 PolarHBondContact O-N 3.44Å
961	N	62.2	Low	68.9	Low	92 Å²	92	94.1 Å²	94.1	49%	0.492	48%	0.478	S	S	.	.	S	Bend	trans	-69.9	-20.2	179	-75.9	-22.9	0	0	0	114.5	D957	D957-N961 PolarHBondContact O-ND2 2.88Å; D957-N961 VanDerWaalsContact O-ND2 3.16Å; D957-N961 PolarHBondContact O-OD1 2.63Å
962	N	61.8	Low	69.4	Low	149 Å²	149	91.8 Å²	91.8	80%	0.797	47%	0.466	S	S	*	.	S	Bend	trans	-98.7	141.4	179.5	-67.2	-27.7	0	0	0	111	Y960	Y960-N962 VanDerWaalsContact C-N 3.28Å; Y960-N962 PolarHBondContact O-N 3.44Å
963	H	65.3	Low	70	Confident	61 Å²	61	86.7 Å²	86.7	28%	0.282	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-89.4	152.8	173.6	-58	-57.2	0	0	0	110.5	L768 Q770 N847	L768-H963 WeakPolarHBondContact CD2-CE1 3.31Å; Q770-H963 PolarHBondContact NE2-CE1 3.18Å; Q770-H963 VanDerWaalsContact NE2-CE1 3.32Å; Q770-H963 PolarHBondContact OE1-NE2 3.15Å; N847-H963 PolarHBondContact ND2-CE1 3.24Å; N847-H963 VanDerWaalsContact ND2-CE1 3.32Å; N847-H963 PolarHBondContact ND2-ND1 2.97Å
964	D	64.4	Low	70.9	Confident	112 Å²	112	79 Å²	79	60%	0.599	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-62.3	142.6	168	-73.3	-32.1	0	0	0	109.7	K966 V967	D964-K966 PolarHBondContact O-N 3.42Å; D964-V967 HydrophobicContact CB-CG2 4.38Å; D964-V967 PolarHBondContact O-N 2.92Å; D964-V967 VanDerWaalsContact O-N 3.13Å
965	E	57.9	Low	71.8	Confident	200 Å²	200	80.5 Å²	80.5	94%	0.935	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-9.9	-177.3	-68.9	-174.1	162.3	0	0	114.1
966	K	73.4	Confident	73	Confident	117 Å²	117	78 Å²	78	51%	0.509	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	3.4	-176.5	-50.3	-166.6	-177.3	177	0	115	D765 S766 D964	D765-K966 HydrophobicContact CB-CB 3.89Å; D765-K966 HydrophobicContact CB-CD 4.19Å; D765-K966 PolarHBondContact N-O 3.22Å; D765-K966 WeakPolarHBondContact OD2-CD 3.39Å; D765-K966 WeakPolarHBondContact OD2-CE 3.38Å; D765-K966 IonicContact OD2-NZ 3.54Å; D765-K966 PolarHBondContact OD2-NZ 3.03Å; S766-K966 PolarHBondContact N-O 3.37Å; D964-K966 PolarHBondContact O-N 3.42Å
967	V	78.6	Confident	74.4	Confident	36 Å²	36	76.2 Å²	76.2	22%	0.218	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124	179.4	-176.1	0	0	0	0	110.2	L768 D964 V969	L768-V967 HydrophobicContact CB-CG1 3.43Å; L768-V967 VanDerWaalsContact CB-CG1 3.43Å; L768-V967 HydrophobicContact CD2-CG1 4.12Å; L768-V967 HydrophobicContact CG-CG1 4.42Å; D964-V967 HydrophobicContact CB-CG2 4.38Å; D964-V967 PolarHBondContact O-N 2.92Å; D964-V967 VanDerWaalsContact O-N 3.13Å; V967-V969 PolarHBondContact O-N 3.48Å
968	I	83.9	Confident	75.7	Confident	29 Å²	29	83.1 Å²	83.1	15%	0.149	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.8	169.2	-62.9	166.5	0	0	0	109	F761 L764 S766 F767 L768 L970	F761-I968 HydrophobicContact CD1-CD1 4.28Å; F761-I968 HydrophobicContact CE1-CD1 4.2Å; F761-I968 HydrophobicContact CE1-CG1 4.45Å; L764-I968 HydrophobicContact CB-CD1 4.49Å; L764-I968 HydrophobicContact CD1-CD1 3.57Å; L764-I968 HydrophobicContact CD2-CD1 3.27Å; L764-I968 HydrophobicContact CD2-CG1 3.56Å; L764-I968 HydrophobicContact CG-CD1 3.93Å; S766-I968 PolarHBondContact O-N 2.89Å; F767-I968 HydrophobicContact CD1-CB 3.99Å; F767-I968 HydrophobicContact CD1-CD1 4.16Å; F767-I968 HydrophobicContact CD1-CG2 4.2Å; F767-I968 HydrophobicContact CE1-CB 4.26Å; F767-I968 HydrophobicContact CE1-CD1 3.58Å; F767-I968 HydrophobicContact CE1-CG2 4.38Å; F767-I968 HydrophobicContact CZ-CD1 3.97Å; L768-I968 PolarHBondContact N-O 3.4Å; I968-L970 HydrophobicContact CG2-CD2 4.48Å; I968-L970 PolarHBondContact O-N 3.31Å
969	V	86.1	Confident	77	Confident	57 Å²	57	81.3 Å²	81.3	35%	0.345	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.1	171.7	-172	0	0	0	0	109.8	L768 V967	L768-V969 HydrophobicContact CD2-CG2 4.29Å; L768-V969 CarbonylContact O-C 3.49Å; L768-V969 WeakPolarHBondContact O-CA 3.33Å; V967-V969 PolarHBondContact O-N 3.48Å
970	L	87.4	Confident	78.2	Confident	8 Å²	8	75.1 Å²	75.1	4%	0.042	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.9	174	-60.2	175.4	0	0	0	109.6	L653 F767 L768 Y769 L944 I968 E975 L976	L653-L970 HydrophobicContact CD2-CD1 3.76Å; F767-L970 HydrophobicContact CB-CD1 4.44Å; F767-L970 HydrophobicContact CD1-CD2 3.95Å; F767-L970 HydrophobicContact CD1-CG 4.45Å; L768-L970 WeakPolarHBondContact O-CB 3.14Å; L768-L970 PolarHBondContact O-N 3.36Å; Y769-L970 HydrophobicContact CD2-CB 4.24Å; L944-L970 HydrophobicContact CD1-CD1 4.13Å; I968-L970 HydrophobicContact CG2-CD2 4.48Å; I968-L970 PolarHBondContact O-N 3.31Å; L970-E975 HydrophobicContact CD2-CB 4.28Å; L970-E975 HydrophobicContact CD2-CG 4.2Å; L970-L976 HydrophobicContact CD1-CB 4.03Å; L970-L976 HydrophobicContact CD1-CD1 4.32Å; L970-L976 HydrophobicContact CD2-CB 4.38Å; L970-L976 HydrophobicContact CD2-CD1 4.36Å
971	K	83.8	Confident	79.4	Confident	189 Å²	189	76.6 Å²	76.6	82%	0.822	38%	0.382	S	S	*	.	S	Bend	trans	-82.6	-26.9	-179.7	-64.1	179.4	-178.7	174.9	0	112.6	E975	K971-E975 PolarHBondContact N-OE2 2.89Å
972	D	84.9	Confident	80.7	Confident	58 Å²	58	75.6 Å²	75.6	31%	0.31	38%	0.376	S	S	.	.	S	Bend	trans	-146.8	150.7	-177.9	177.2	72.8	0	0	0	111.3	T974 E975 R978	D972-T974 PolarHBondContact O-N 3.41Å; D972-T974 VanDerWaalsContact O-N 3.13Å; D972-T974 VanDerWaalsContact OD2-CB 3.29Å; D972-T974 WeakPolarHBondContact OD2-CB 2.89Å; D972-T974 WeakPolarHBondContact OD2-CG2 3.34Å; D972-T974 PolarHBondContact OD2-N 2.9Å; D972-T974 PolarHBondContact OD2-OG1 3.17Å; D972-E975 VanDerWaalsContact O-CB 3.32Å; D972-E975 WeakPolarHBondContact O-CB 3.45Å; D972-E975 PolarHBondContact O-N 3.19Å; D972-E975 VanDerWaalsContact O-N 3.08Å; D972-R978 IonicContact OD2-NH2 3.91Å
973	Y	83.9	Confident	82.2	Confident	21 Å²	21	68.7 Å²	68.7	8%	0.082	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.7	-175.7	76.2	-91.5	0	0	0	113.9	I660 D663	I660-Y973 HydrophobicContact CD1-CD1 3.83Å; I660-Y973 HydrophobicContact CD1-CE1 3.54Å; I660-Y973 HydrophobicContact CG1-CD1 4.32Å; I660-Y973 HydrophobicContact CG1-CE1 3.72Å; I660-Y973 HydrophobicContact CG2-CD1 4.19Å; I660-Y973 HydrophobicContact CG2-CD2 4.34Å; I660-Y973 HydrophobicContact CG2-CE1 4.18Å; I660-Y973 HydrophobicContact CG2-CE2 4.36Å; I660-Y973 HydrophobicContact CG2-CG 4.26Å; D663-Y973 PolarHBondContact OD2-OH 2.87Å
974	T	86.5	Confident	83.3	Confident	33 Å²	33	68.5 Å²	68.5	20%	0.202	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.4	176.3	69.1	0	0	0	0	113.4	D972 K977 R978	D972-T974 PolarHBondContact O-N 3.41Å; D972-T974 VanDerWaalsContact O-N 3.13Å; D972-T974 VanDerWaalsContact OD2-CB 3.29Å; D972-T974 WeakPolarHBondContact OD2-CB 2.89Å; D972-T974 WeakPolarHBondContact OD2-CG2 3.34Å; D972-T974 PolarHBondContact OD2-N 2.9Å; D972-T974 PolarHBondContact OD2-OG1 3.17Å; T974-K977 PolarHBondContact O-N 2.9Å; T974-R978 WeakPolarHBondContact O-CG 3.33Å; T974-R978 PolarHBondContact O-N 2.88Å; T974-R978 VanDerWaalsContact O-N 3.12Å; T974-R978 PolarHBondContact OG1-NE 2.98Å; T974-R978 PolarHBondContact OG1-NH2 3.09Å
975	E	86.2	Confident	84.3	Confident	55 Å²	55	65.4 Å²	65.4	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-45.9	-175.2	-174.3	169.4	-169.7	0	0	111.7	L970 K971 D972 K977 R978 C979	L970-E975 HydrophobicContact CD2-CB 4.28Å; L970-E975 HydrophobicContact CD2-CG 4.2Å; K971-E975 PolarHBondContact N-OE2 2.89Å; D972-E975 VanDerWaalsContact O-CB 3.32Å; D972-E975 WeakPolarHBondContact O-CB 3.45Å; D972-E975 PolarHBondContact O-N 3.19Å; D972-E975 VanDerWaalsContact O-N 3.08Å; E975-K977 VanDerWaalsContact C-N 3.31Å; E975-K977 PolarHBondContact O-N 3.15Å; E975-R978 PolarHBondContact O-N 3.01Å; E975-R978 VanDerWaalsContact O-N 3.14Å; E975-C979 PolarHBondContact O-N 2.64Å; E975-C979 VanDerWaalsContact O-N 3.1Å; E975-C979 PolarHBondContact O-SG 2.92Å
976	L	85.2	Confident	85.4	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-41.8	177.9	-164.9	71.7	0	0	0	111.6	V733 I735 F767 L944 L970 R978 C979 C980	V733-L976 HydrophobicContact CG1-CD2 4.17Å; V733-L976 HydrophobicContact CG1-CG 3.97Å; I735-L976 HydrophobicContact CG1-CD2 4.44Å; F767-L976 HydrophobicContact CB-CD1 4.48Å; F767-L976 HydrophobicContact CD1-CD1 3.6Å; F767-L976 HydrophobicContact CD2-CD1 4.29Å; F767-L976 HydrophobicContact CE1-CD1 3.8Å; F767-L976 HydrophobicContact CE2-CD1 4.49Å; F767-L976 HydrophobicContact CG-CD1 3.86Å; F767-L976 HydrophobicContact CZ-CD1 4.26Å; L944-L976 HydrophobicContact CD1-CD2 4.47Å; L944-L976 HydrophobicContact CD2-CD2 3.9Å; L970-L976 HydrophobicContact CD1-CB 4.03Å; L970-L976 HydrophobicContact CD1-CD1 4.32Å; L970-L976 HydrophobicContact CD2-CB 4.38Å; L970-L976 HydrophobicContact CD2-CD1 4.36Å; L976-R978 VanDerWaalsContact C-N 3.3Å; L976-R978 PolarHBondContact O-N 3.25Å; L976-C979 PolarHBondContact O-N 3.04Å; L976-C980 VanDerWaalsContact O-CB 3.26Å; L976-C980 WeakPolarHBondContact O-CB 3.46Å; L976-C980 PolarHBondContact O-N 2.91Å
977	K	86.8	Confident	85.9	Confident	33 Å²	33	61.9 Å²	61.9	14%	0.143	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-33.6	178.3	-50.5	-177.7	-168.4	-166.9	0	113	S652 S655 S658 V733 T974 E975	S652-K977 WeakPolarHBondContact O-CE 3.5Å; S652-K977 PolarHBondContact O-NZ 3.26Å; S655-K977 WeakPolarHBondContact O-CD 3.38Å; S655-K977 WeakPolarHBondContact O-CE 3.39Å; S655-K977 PolarHBondContact O-NZ 2.88Å; S658-K977 PolarHBondContact OG-NZ 2.81Å; V733-K977 HydrophobicContact CG2-CB 4.2Å; V733-K977 HydrophobicContact CG2-CG 3.88Å; T974-K977 PolarHBondContact O-N 2.9Å; E975-K977 VanDerWaalsContact C-N 3.31Å; E975-K977 PolarHBondContact O-N 3.15Å
978	R	86.3	Confident	86.2	Confident	188 Å²	188	61.5 Å²	61.5	71%	0.709	31%	0.309	S	S	*	.	H	α-helix	trans	-76.2	-30.3	179.4	-73	-173.1	-105.8	172.6	-6.6	112.4	D972 T974 E975 L976	D972-R978 IonicContact OD2-NH2 3.91Å; T974-R978 WeakPolarHBondContact O-CG 3.33Å; T974-R978 PolarHBondContact O-N 2.88Å; T974-R978 VanDerWaalsContact O-N 3.12Å; T974-R978 PolarHBondContact OG1-NE 2.98Å; T974-R978 PolarHBondContact OG1-NH2 3.09Å; E975-R978 PolarHBondContact O-N 3.01Å; E975-R978 VanDerWaalsContact O-N 3.14Å; L976-R978 VanDerWaalsContact C-N 3.3Å; L976-R978 PolarHBondContact O-N 3.25Å
979	C	83.6	Confident	86.2	Confident	73 Å²	73	64.6 Å²	64.6	49%	0.493	32%	0.322	S	S	.	.	H	α-helix	trans	-101	-14.5	-172.4	-64.6	0	0	0	0	114.3	E975 L976	E975-C979 PolarHBondContact O-N 2.64Å; E975-C979 VanDerWaalsContact O-N 3.1Å; E975-C979 PolarHBondContact O-SG 2.92Å; L976-C979 PolarHBondContact O-N 3.04Å
980	C	87.1	Confident	86	Confident	13 Å²	13	65.1 Å²	65.1	9%	0.088	32%	0.321	C	S	.	.	S	Bend	trans	-119.2	150.6	-174.3	-60.8	0	0	0	0	112.1	V733 P736 L976	V733-C980 HydrophobicContact CG1-CB 3.37Å; P736-C980 VanDerWaalsContact CD-SG 3.51Å; L976-C980 VanDerWaalsContact O-CB 3.26Å; L976-C980 WeakPolarHBondContact O-CB 3.46Å; L976-C980 PolarHBondContact O-N 2.91Å
981	P	91.3	Very high	85.8	Confident	82 Å²	82	70.5 Å²	70.5	53%	0.532	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-68.1	150.2	178.1	24.5	-27.6	0	0	0	111.4	I734	I734-P981 HydrophobicContact CB-CG 4.17Å; I734-P981 PolarHBondContact N-O 3.22Å
982	L	91.1	Very high	85.7	Confident	72 Å²	72	62.8 Å²	62.8	38%	0.377	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-93.2	148.1	172.5	-62.7	177	0	0	0	110.9	D656 R731 E732 V733	D656-L982 HydrophobicContact CB-CD1 3.84Å; D656-L982 HydrophobicContact CB-CD2 4.03Å; R731-L982 HydrophobicContact CB-CB 4.17Å; E732-L982 CarbonylContact O-C 3.57Å; E732-L982 WeakPolarHBondContact O-CA 3.49Å; V733-L982 HydrophobicContact CG2-CD2 3.81Å
983	S	91.6	Very high	85.2	Confident	3 Å²	3	64 Å²	64	2%	0.021	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-64.3	156.8	174.5	74.5	0	0	0	0	111.7	R731 E732	R731-S983 WeakPolarHBondContact CD-O 3.25Å; R731-S983 WeakPolarHBondContact CG-O 3.28Å; E732-S983 PolarHBondContact N-OG 2.81Å; E732-S983 VanDerWaalsContact N-OG 3.12Å; E732-S983 PolarHBondContact O-N 2.91Å
984	A	89.3	Confident	85.1	Confident	57 Å²	57	63.2 Å²	63.2	47%	0.471	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-64.8	163	159.7	0	0	0	0	0	110.1	K832	K832-A984 HydrophobicContact CD-CB 4.24Å; K832-A984 WeakPolarHBondContact CD-O 3.42Å
985	L	85.3	Confident	84.9	Confident	48 Å²	48	66 Å²	66	25%	0.251	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69.6	149.3	167.9	-63.3	173.5	0	0	0	110.2	T729 R731	T729-L985 WeakPolarHBondContact O-CD2 3.22Å; T729-L985 WeakPolarHBondContact OG1-CD1 3.49Å; T729-L985 WeakPolarHBondContact OG1-CD2 3.36Å; R731-L985 HydrophobicContact CG-CD2 3.64Å; R731-L985 HydrophobicContact CG-CG 4.33Å
986	A	81.6	Confident	84.2	Confident	19 Å²	19	66.3 Å²	66.3	16%	0.157	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-63	142.8	171.9	0	0	0	0	0	109.8	K832 H905	K832-A986 HydrophobicContact CB-CB 4.22Å; K832-A986 HydrophobicContact CG-CB 4.39Å; H905-A986 WeakPolarHBondContact NE2-CB 3.36Å
987	R	83.1	Confident	83.6	Confident	223 Å²	223	71 Å²	71	84%	0.842	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-92.2	144.4	175.1	-67.6	-176.6	-179.7	179.1	0.3	109.4	F989	R987-F989 PolarHBondContact O-N 3.23Å
988	P	85	Confident	82.8	Confident	29 Å²	29	71.6 Å²	71.6	19%	0.188	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-48.7	134	166.6	-31.7	39	0	0	0	111.8	Y906 M990 F1003	Y906-P988 HydrophobicContact CD2-CB 3.85Å; Y906-P988 HydrophobicContact CD2-CG 4.3Å; Y906-P988 HydrophobicContact CE2-CB 4.23Å; Y906-P988 HydrophobicContact CE2-CG 4.17Å; P988-M990 VanDerWaalsContact C-N 3.31Å; P988-F1003 HydrophobicContact CG-CD2 3.53Å; P988-F1003 HydrophobicContact CG-CE2 3.78Å; P988-F1003 HydrophobicContact CG-CG 4.18Å
989	F	84.3	Confident	82.2	Confident	93 Å²	93	64.8 Å²	64.8	41%	0.408	35%	0.354	S	S	.	.	S	Bend	trans	-67.8	-34.3	174.8	-175.4	-99.6	0	0	0	111.4	H905 N907 H913 R987	H905-F989 WeakPolarHBondContact O-CB 3.42Å; H905-F989 PolarHBondContact O-N 3.17Å; N907-F989 HydrophobicContact CB-CB 3.9Å; N907-F989 HydrophobicContact CB-CD1 3.99Å; N907-F989 HydrophobicContact CB-CD2 4.28Å; N907-F989 HydrophobicContact CB-CG 3.79Å; H913-F989 AromaticContact CE1-CE1 3.49Å; H913-F989 VanDerWaalsContact CE1-CE1 3.49Å; H913-F989 WeakPolarHBondContact CE1-CE1 3.38Å; H913-F989 AromaticContact CE1-CZ 3.66Å; H913-F989 AromaticContact ND1-CE1 3.81Å; H913-F989 AromaticContact ND1-CZ 3.62Å; R987-F989 PolarHBondContact O-N 3.23Å
990	M	81.5	Confident	81.9	Confident	68 Å²	68	65 Å²	65	34%	0.335	35%	0.353	S	S	.	.	S	Bend	trans	-139.5	153.6	177.1	-69.6	-179.6	-53	0	0	110.9	I511 P988 F992	I511-M990 HydrophobicContact CD1-CE 4.27Å; P988-M990 VanDerWaalsContact C-N 3.31Å; M990-F992 HydrophobicContact CB-CE2 3.87Å; M990-F992 HydrophobicContact CB-CZ 4.22Å; M990-F992 HydrophobicContact CE-CE2 4.47Å; M990-F992 HydrophobicContact CE-CZ 3.82Å
991	M	82.7	Confident	81.5	Confident	121 Å²	121	64.6 Å²	64.6	60%	0.596	35%	0.35	S	S	*	.			trans	-95.2	146.8	169.6	-64.5	-61.6	-69	0	0	109.9	V1000 L1001	M991-V1000 HydrophobicContact CE-CG1 3.77Å; M991-L1001 HydrophobicContact CE-CB 4.5Å; M991-L1001 WeakPolarHBondContact CE-O 3.4Å
992	F	81.8	Confident	80.5	Confident	27 Å²	27	65.1 Å²	65.1	12%	0.118	34%	0.341	C	S	.	.			trans	-126.2	156.9	-179.3	-65.8	-98.6	0	0	0	110.5	I511 L514 W524 Y906 F908 M990 V1000 L1001	I511-F992 HydrophobicContact CD1-CE1 4.24Å; L514-F992 HydrophobicContact CB-CB 4.11Å; L514-F992 HydrophobicContact CD2-CB 3.91Å; W524-F992 HydrophobicContact CH2-CB 4.25Å; W524-F992 HydrophobicContact CH2-CD1 4.13Å; W524-F992 AromaticContact CH2-CD2 3.67Å; W524-F992 HydrophobicContact CH2-CD2 3.67Å; W524-F992 HydrophobicContact CH2-CE1 4.4Å; W524-F992 AromaticContact CH2-CE2 3.98Å; W524-F992 HydrophobicContact CH2-CE2 3.98Å; W524-F992 AromaticContact CH2-CG 3.75Å; W524-F992 HydrophobicContact CH2-CG 3.75Å; W524-F992 HydrophobicContact CH2-CZ 4.33Å; W524-F992 AromaticContact CZ3-CD1 3.82Å; W524-F992 HydrophobicContact CZ3-CD1 3.82Å; W524-F992 HydrophobicContact CZ3-CD2 4.19Å; W524-F992 AromaticContact CZ3-CE1 3.96Å; W524-F992 HydrophobicContact CZ3-CE1 3.96Å; W524-F992 HydrophobicContact CZ3-CE2 4.33Å; W524-F992 AromaticContact CZ3-CG 3.93Å; W524-F992 HydrophobicContact CZ3-CG 3.93Å; W524-F992 HydrophobicContact CZ3-CZ 4.21Å; Y906-F992 HydrophobicContact CG-CE2 4.2Å; F908-F992 HydrophobicContact CD2-CE1 4.49Å; F908-F992 AromaticContact CD2-CZ 3.96Å; F908-F992 HydrophobicContact CD2-CZ 3.96Å; F908-F992 HydrophobicContact CE2-CE1 4.02Å; F908-F992 HydrophobicContact CE2-CE2 4.34Å; F908-F992 AromaticContact CE2-CZ 3.54Å; F908-F992 HydrophobicContact CE2-CZ 3.54Å; M990-F992 HydrophobicContact CB-CE2 3.87Å; M990-F992 HydrophobicContact CB-CZ 4.22Å; M990-F992 HydrophobicContact CE-CE2 4.47Å; M990-F992 HydrophobicContact CE-CZ 3.82Å; F992-V1000 CarbonylContact O-C 3.48Å; F992-V1000 WeakPolarHBondContact O-CA 3.41Å; F992-L1001 HydrophobicContact CB-CB 4.34Å; F992-L1001 HydrophobicContact CD2-CD2 4.19Å; F992-L1001 WeakPolarHBondContact O-CB 3.2Å; F992-L1001 PolarHBondContact O-N 3.17Å
993	T	76	Confident	79.3	Confident	85 Å²	85	67.7 Å²	67.7	52%	0.521	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-122.4	130.5	172.1	-55.9	0	0	0	0	108.5	G998 N999	T993-G998 WeakPolarHBondContact CG2-O 3.38Å; T993-N999 CarbonylContact C-O 3.35Å; T993-N999 WeakPolarHBondContact CA-O 2.92Å
994	S	81.4	Confident	78.7	Confident	3 Å²	3	71 Å²	71	2%	0.021	37%	0.366	C	S	.	.			trans	-65.4	134.6	-178.7	72.5	0	0	0	0	111	L514 E997 G998 N999	L514-S994 CarbonylContact O-C 3.57Å; L514-S994 VanDerWaalsContact O-CA 3.31Å; L514-S994 WeakPolarHBondContact O-CA 3.34Å; S994-E997 PolarHBondContact OG-N 3.29Å; S994-G998 VanDerWaalsContact O-CA 3.3Å; S994-G998 WeakPolarHBondContact O-CA 3.43Å; S994-G998 PolarHBondContact O-N 3.24Å; S994-G998 PolarHBondContact OG-N 2.75Å; S994-G998 VanDerWaalsContact OG-N 3.12Å; S994-N999 PolarHBondContact N-O 2.82Å; S994-N999 PolarHBondContact OG-N 3.34Å; S994-N999 PolarHBondContact OG-O 2.84Å
995	K	81	Confident	78.1	Confident	91 Å²	91	71.7 Å²	71.7	40%	0.396	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-41.1	176.8	-78.4	-171.5	168.1	-178.7	0	113.5	E513 L514 L515	E513-K995 VanDerWaalsContact CD-CE 3.43Å; E513-K995 WeakPolarHBondContact OE1-CE 3.3Å; E513-K995 IonicContact OE1-NZ 2.69Å; E513-K995 PolarHBondContact OE1-NZ 3.4Å; E513-K995 VanDerWaalsContact OE2-CE 3.3Å; E513-K995 WeakPolarHBondContact OE2-CE 3.3Å; E513-K995 IonicContact OE2-NZ 2.76Å; E513-K995 PolarHBondContact OE2-NZ 2.93Å; L514-K995 PolarHBondContact O-N 2.7Å; L515-K995 HydrophobicContact CD2-CB 4.45Å; L515-K995 HydrophobicContact CD2-CD 4.1Å; L515-K995 PolarHBondContact O-N 2.73Å
996	C	71.4	Confident	77.7	Confident	63 Å²	63	73 Å²	73	43%	0.426	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-37.8	-173	-61	0	0	0	0	113.1	L515 I516	L515-C996 WeakPolarHBondContact O-CB 3.41Å; L515-C996 PolarHBondContact O-N 2.86Å; L515-C996 PolarHBondContact O-SG 3.13Å; L515-C996 VanDerWaalsContact O-SG 3.35Å; I516-C996 HydrophobicContact CG1-CB 4.35Å
997	E	74.1	Confident	77.5	Confident	99 Å²	99	76.2 Å²	76.2	46%	0.463	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-10	-170.5	-57.2	-169.7	167.5	0	0	114.2	T518 S994 N999	T518-E997 WeakPolarHBondContact CG2-OE1 3.39Å; T518-E997 WeakPolarHBondContact CG2-OE2 3.27Å; S994-E997 PolarHBondContact OG-N 3.29Å; E997-N999 PolarHBondContact O-N 3.25Å; E997-N999 PolarHBondContact OE2-ND2 3.24Å
998	G	69.8	Low	77.1	Confident	47 Å²	47	67 Å²	67	49%	0.485	35%	0.35	S	S	.	.			trans	67.5	8	-173.5	0	0	0	0	0	114.8	T993 S994	T993-G998 WeakPolarHBondContact CG2-O 3.38Å; S994-G998 VanDerWaalsContact O-CA 3.3Å; S994-G998 WeakPolarHBondContact O-CA 3.43Å; S994-G998 PolarHBondContact O-N 3.24Å; S994-G998 PolarHBondContact OG-N 2.75Å; S994-G998 VanDerWaalsContact OG-N 3.12Å
999	N	72.3	Confident	76.6	Confident	44 Å²	44	69.5 Å²	69.5	24%	0.235	36%	0.36	C	S	.	.			trans	-69.3	132.2	176.6	-75.6	-38.2	0	0	0	110.6	E517 T993 S994 E997	E517-N999 HydrophobicContact CB-CB 4.11Å; E517-N999 HydrophobicContact CG-CB 4.18Å; E517-N999 WeakPolarHBondContact O-CB 3.4Å; E517-N999 PolarHBondContact O-ND2 2.9Å; T993-N999 CarbonylContact C-O 3.35Å; T993-N999 WeakPolarHBondContact CA-O 2.92Å; S994-N999 PolarHBondContact N-O 2.82Å; S994-N999 PolarHBondContact OG-N 3.34Å; S994-N999 PolarHBondContact OG-O 2.84Å; E997-N999 PolarHBondContact O-N 3.25Å; E997-N999 PolarHBondContact OE2-ND2 3.24Å
1000	V	77.9	Confident	76.1	Confident	78 Å²	78	67.9 Å²	67.9	47%	0.473	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-73.1	141.5	170.1	-179.2	0	0	0	0	108.7	M991 F992 R1002	M991-V1000 HydrophobicContact CE-CG1 3.77Å; F992-V1000 CarbonylContact O-C 3.48Å; F992-V1000 WeakPolarHBondContact O-CA 3.41Å; V1000-R1002 WeakPolarHBondContact O-CG 3.35Å; V1000-R1002 PolarHBondContact O-N 3.27Å; V1000-R1002 VanDerWaalsContact O-N 3.14Å
1001	L	78.1	Confident	75.6	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.026	36%	0.359	C	S	.	.			trans	-45.6	118.7	174.8	-179	70.5	0	0	0	110.2	L514 W524 Y906 M991 F992	L514-L1001 HydrophobicContact CD2-CB 4.24Å; L514-L1001 HydrophobicContact CD2-CD1 4.16Å; W524-L1001 HydrophobicContact CZ2-CD1 4.21Å; Y906-L1001 HydrophobicContact CD2-CD2 4.07Å; Y906-L1001 HydrophobicContact CE2-CD2 3.69Å; M991-L1001 HydrophobicContact CE-CB 4.5Å; M991-L1001 WeakPolarHBondContact CE-O 3.4Å; F992-L1001 HydrophobicContact CB-CB 4.34Å; F992-L1001 HydrophobicContact CD2-CD2 4.19Å; F992-L1001 WeakPolarHBondContact O-CB 3.2Å; F992-L1001 PolarHBondContact O-N 3.17Å
1002	R	70.1	Confident	75	Confident	92 Å²	92	63.4 Å²	63.4	35%	0.347	34%	0.339	S	S	.	.			trans	-93.3	129.6	-178.2	-56.9	-176.7	-175.2	177.7	6.7	109.1	E517 D519 R522 L724 V1000	E517-R1002 HydrophobicContact CG-CG 4.46Å; E517-R1002 WeakPolarHBondContact OE1-CB 3.29Å; E517-R1002 PolarHBondContact OE1-N 2.73Å; D519-R1002 IonicContact OD1-CZ 2.76Å; D519-R1002 IonicContact OD1-NH1 2.71Å; D519-R1002 PolarHBondContact OD1-NH1 3.11Å; R522-R1002 PolarHBondContact NH2-O 2.7Å; L724-R1002 HydrophobicContact CD1-CB 3.39Å; L724-R1002 HydrophobicContact CD1-CG 4.36Å; V1000-R1002 WeakPolarHBondContact O-CG 3.35Å; V1000-R1002 PolarHBondContact O-N 3.27Å; V1000-R1002 VanDerWaalsContact O-N 3.14Å
1003	F	66.6	Low	74.4	Confident	127 Å²	127	66.7 Å²	66.7	56%	0.557	36%	0.359	S	S	*	.			trans	-119.2	0	-179.3	-164.9	-88.2	0	0	0	111.2	R904 P988	R904-F1003 HydrophobicContact CB-CE2 3.98Å; P988-F1003 HydrophobicContact CG-CD2 3.53Å; P988-F1003 HydrophobicContact CG-CE2 3.78Å; P988-F1003 HydrophobicContact CG-CG 4.18Å

Retrieved 1,003 of 1,003 residues in 705.9 ms (Link to these results)

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