A0A3Q0KB99_SCHMA Loading...

Hormone-sensitive lipase (S09 family)

AlphaFold DB , UniProt , Accession A0A3Q0KB99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 872 aa.

						>A0A3Q0KB99_SCHMA|A0A3Q0KB99
MHPDELRLYFEKPNSVRILSSKLNMDRTFSMSSASNDEKKESLDSSECIQMVRLCSELHLQCRTYLTIIRTNLEIDDENTESSRSESDIVCALKRLHALLNSDFSSRIKHLYSIAGYYDFGSLRANGIRSFLTITMRCSAVLLTYIRQMSSYSISNWSGITHKSVIAYINCLMELSVCLEVLSYLPRFTKPSTLFPRSEFVDLPEIGHCDVNTFDDKPKNITDACSTIKSKQHEEDLSEFYRLEVLSDSIKQEHFYGRCLAFYLCPSAQRILLFLNSFMAGYGNSFLTSKQGIVSLVNTVYRSVTSYLSPEDRGKMLAKLTRSSSVQFCKAFWNLAELRVVSEAPNVILPSMAVAHSFKLQTKSLKVPLDTNILEDEKEFIVIEPPKSHFGTAPLGMRILCRHLRSGLRWTRTTESPKFFESPNCINQSNHHSSRNSIPSLSSYNSRFFPSNNSSSVVFSNPNDRRYSYESSKFSNTSTENNTNKSPYILFYVHGGGFIALTSQSQDNFLRIWAEQLNCPIIAVDYSLSPEAPYPRALEECYYAYCWITLNRENLGCTSDAKIVLAGDSAGGNLALGVCMRAVRDRLLNKPSGIFLAYTPVLVSFTPSPSRLLSLCDPLLPIGVLSKCLLAYAGIDEARLDSDKLGDNFEVDENPSNLTTEQNSPIWSRLFSTFWSNPPKLDLNNSKELKIGHLRRYSNITMSPLYDTYFQNPKDQSMPSNLYRLSENSHFLHKSPKWNKSEKGKNPDHNEDECTPISKHPRRPPTDLNRIRNIHLIQNGFMSPYLASDDMLRGLPPVVIVCSHFDPFLDDGLELAKRLSKLDVSVDIRVLDDLPHAFLNFCLLGPEFQIANKICIELVKNLFHEYYIKINE
					

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(Predicted Aligned Error values between residue pairs)

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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	32.4	Very low	29.3	Very low	192 Å²	192	128.4 Å²	128.4	95%	0.946	61%	0.607	S	S	*	*				0	131.5	0	-80.1	-165.4	142.3	0	0	108.4	E5	M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CB-CB 4.44Å; M1-E5 WeakPolarHBondContact CB-OE2 3.18Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å
2	H	25.1	Very low	28.9	Very low	126 Å²	126	128.8 Å²	128.8	58%	0.583	61%	0.605	S	S	*	*			trans	-71	151.2	-172.7	-162.3	-98.6	0	0	0	110.3	D4 E5	H2-D4 IonicContact CE1-OD2 2.79Å; H2-D4 IonicContact ND1-OD2 3.56Å; H2-D4 PolarHBondContact ND1-OD2 3.44Å; H2-D4 PolarHBondContact O-N 3.17Å; H2-E5 PolarHBondContact N-OE2 3.09Å; H2-E5 WeakPolarHBondContact O-CB 3.28Å; H2-E5 PolarHBondContact O-N 3.23Å
3	P	32.2	Very low	28.9	Very low	88 Å²	88	127.6 Å²	127.6	57%	0.571	62%	0.615	S	S	*	*	H	α-helix	trans	-53.1	-26.7	-176.2	-29	35.1	0	0	0	115.6	L6 R7	P3-L6 PolarHBondContact O-N 2.82Å; P3-R7 PolarHBondContact O-N 2.94Å
4	D	33.2	Very low	28.8	Very low	89 Å²	89	126.2 Å²	126.2	48%	0.476	61%	0.612	S	S	.	*	H	α-helix	trans	-74	-26.8	177.4	-58.5	-50.8	0	0	0	113.2	H2 L6 R7 L8	H2-D4 IonicContact CE1-OD2 2.79Å; H2-D4 IonicContact ND1-OD2 3.56Å; H2-D4 PolarHBondContact ND1-OD2 3.44Å; H2-D4 PolarHBondContact O-N 3.17Å; D4-L6 VanDerWaalsContact C-N 3.31Å; D4-R7 PolarHBondContact O-N 2.87Å; D4-L8 PolarHBondContact O-N 2.76Å
5	E	30.1	Very low	28.6	Very low	92 Å²	92	121.2 Å²	121.2	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-29.5	172.2	-67.7	179.8	135.7	0	0	111.5	M1 H2	M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CB-CB 4.44Å; M1-E5 WeakPolarHBondContact CB-OE2 3.18Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å; H2-E5 PolarHBondContact N-OE2 3.09Å; H2-E5 WeakPolarHBondContact O-CB 3.28Å; H2-E5 PolarHBondContact O-N 3.23Å
6	L	30	Very low	28.4	Very low	104 Å²	104	121.6 Å²	121.6	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-74.5	-35.1	174.4	-80.7	164.3	0	0	0	112.4	P3 D4 Y9 F10	P3-L6 PolarHBondContact O-N 2.82Å; D4-L6 VanDerWaalsContact C-N 3.31Å; L6-Y9 PolarHBondContact O-N 3.05Å; L6-F10 WeakPolarHBondContact O-CD2 3.04Å; L6-F10 PolarHBondContact O-N 3.1Å
7	R	27.4	Very low	28.2	Very low	168 Å²	168	123.4 Å²	123.4	63%	0.634	60%	0.604	S	S	*	*	H	α-helix	trans	-65.1	-41.1	174.7	-91.4	-177.3	169.5	168.6	-3.5	112.6	P3 D4 Y9 F10 E11	P3-R7 PolarHBondContact O-N 2.94Å; D4-R7 PolarHBondContact O-N 2.87Å; R7-Y9 PolarHBondContact O-N 2.94Å; R7-F10 PolarHBondContact O-N 3.08Å; R7-E11 PolarHBondContact O-N 2.65Å
8	L	27.7	Very low	27.9	Very low	112 Å²	112	125.1 Å²	125.1	59%	0.586	61%	0.614	S	S	*	*	H	α-helix	trans	-64.8	-24.3	177	-106.3	132.9	0	0	0	113.5	D4	D4-L8 PolarHBondContact O-N 2.76Å
9	Y	27.7	Very low	27.7	Very low	164 Å²	164	122.7 Å²	122.7	64%	0.643	60%	0.604	S	S	*	*	H	α-helix	trans	-78.3	-29.7	175.9	-108.3	-88.1	0	0	0	113.6	L6 R7 S15	L6-Y9 PolarHBondContact O-N 3.05Å; R7-Y9 PolarHBondContact O-N 2.94Å; Y9-S15 WeakPolarHBondContact O-CB 3.45Å; Y9-S15 PolarHBondContact O-OG 3.12Å
10	F	28.2	Very low	27.7	Very low	124 Å²	124	120.9 Å²	120.9	54%	0.544	60%	0.604	S	S	.	*	H	α-helix	trans	-98.6	-22.5	-178.3	-75.5	-76	0	0	0	114.4	L6 R7	L6-F10 WeakPolarHBondContact O-CD2 3.04Å; L6-F10 PolarHBondContact O-N 3.1Å; R7-F10 PolarHBondContact O-N 3.08Å
11	E	27.9	Very low	27.6	Very low	153 Å²	153	119.2 Å²	119.2	72%	0.715	60%	0.604	S	S	*	*	S	Bend	trans	-83.6	-12.2	179.8	-74.1	-172	172.1	0	0	114.6	R7 P13	R7-E11 PolarHBondContact O-N 2.65Å; E11-P13 WeakPolarHBondContact O-CD 3.29Å
12	K	24.6	Very low	27.1	Very low	134 Å²	134	119.3 Å²	119.3	58%	0.583	60%	0.599	S	S	*	*	S	Bend	trans	-93.8	110.6	166.6	-76.6	-176.8	178.9	175.1	0	108.9	N14 S15	K12-N14 PolarHBondContact O-N 2.78Å; K12-S15 PolarHBondContact O-N 3.38Å; K12-S15 VanDerWaalsContact O-N 3.11Å; K12-S15 PolarHBondContact O-OG 2.93Å
13	P	29.7	Very low	27.1	Very low	113 Å²	113	118.1 Å²	118.1	73%	0.734	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	14.5	173.8	27.3	-32.7	0	0	0	114	E11	E11-P13 WeakPolarHBondContact O-CD 3.29Å
14	N	26.8	Very low	26.8	Very low	108 Å²	108	120.1 Å²	120.1	58%	0.578	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-8.5	168	-78.4	-10.5	0	0	0	113.8	K12 R17	K12-N14 PolarHBondContact O-N 2.78Å; N14-R17 PolarHBondContact O-N 3.35Å
15	S	25.6	Very low	26.5	Very low	51 Å²	51	122.4 Å²	122.4	36%	0.357	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-17.1	179.3	57.3	0	0	0	0	114.4	Y9 K12 R17	Y9-S15 WeakPolarHBondContact O-CB 3.45Å; Y9-S15 PolarHBondContact O-OG 3.12Å; K12-S15 PolarHBondContact O-N 3.38Å; K12-S15 VanDerWaalsContact O-N 3.11Å; K12-S15 PolarHBondContact O-OG 2.93Å; S15-R17 VanDerWaalsContact C-N 3.31Å
16	V	26.5	Very low	26.4	Very low	128 Å²	128	124.9 Å²	124.9	78%	0.776	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	8.2	167.2	-174.5	0	0	0	0	111.2
17	R	24.2	Very low	26.5	Very low	152 Å²	152	125 Å²	125	57%	0.574	62%	0.621	S	S	*	*			trans	-112.5	20.6	-168.3	-125.4	-178.3	-168.7	-171.1	3	117.1	N14 S15 S21	N14-R17 PolarHBondContact O-N 3.35Å; S15-R17 VanDerWaalsContact C-N 3.31Å; R17-S21 PolarHBondContact O-OG 2.61Å
18	I	23.9	Very low	26.7	Very low	153 Å²	153	121.5 Å²	121.5	79%	0.785	62%	0.619	S	S	*	*	S	Bend	trans	-94	-5	178.8	-64.9	-177.9	0	0	0	114.7
19	L	23.7	Very low	27.6	Very low	81 Å²	81	120.2 Å²	120.2	42%	0.424	61%	0.608	S	S	.	*	S	Bend	trans	-116.6	-6.1	178	-78.2	167.2	0	0	0	117.9	L43	L19-L43 HydrophobicContact CD1-CD2 4.45Å; L19-L43 HydrophobicContact CD2-CD2 3.6Å
20	S	26.8	Very low	27.7	Very low	85 Å²	85	117.1 Å²	117.1	59%	0.594	61%	0.611	S	S	*	*	S	Bend	trans	-114.5	-5.1	179.8	62.4	0	0	0	0	116.9
21	S	25.6	Very low	28	Very low	86 Å²	86	120.1 Å²	120.1	60%	0.601	63%	0.629	S	S	*	*	S	Bend	trans	-108.7	10	-173.2	65.2	0	0	0	0	116.6	R17	R17-S21 PolarHBondContact O-OG 2.61Å
22	K	23	Very low	28.3	Very low	195 Å²	195	115.8 Å²	115.8	85%	0.848	62%	0.615	S	S	*	*			trans	-129.8	17.6	173.3	-85.6	-169.8	176.5	-176	0	114.5	N24	K22-N24 VanDerWaalsContact C-N 3.34Å; K22-N24 PolarHBondContact O-N 3.3Å
23	L	25.4	Very low	29.5	Very low	101 Å²	101	113.6 Å²	113.6	53%	0.529	62%	0.617	S	S	.	*	S	Bend	trans	-73.6	97.4	168	-77.1	163.6	0	0	0	108	M25	L23-M25 PolarHBondContact O-N 3.12Å
24	N	25	Very low	30.3	Very low	129 Å²	129	111.8 Å²	111.8	69%	0.69	61%	0.612	S	S	*	*			trans	-34.5	122.7	174	-74.4	-20.2	0	0	0	112	K22 D26	K22-N24 VanDerWaalsContact C-N 3.34Å; K22-N24 PolarHBondContact O-N 3.3Å; N24-D26 PolarHBondContact O-N 3.3Å; N24-D26 VanDerWaalsContact O-N 3.14Å
25	M	27.4	Very low	31.7	Very low	138 Å²	138	109.4 Å²	109.4	68%	0.68	60%	0.603	S	S	*	*	S	Bend	trans	-62.7	-10	173.6	-78.9	-80.3	-172.3	0	0	113.4	L23 I850	L23-M25 PolarHBondContact O-N 3.12Å; M25-I850 HydrophobicContact CE-CG2 4.35Å
26	D	26.7	Very low	33.8	Very low	143 Å²	143	109.3 Å²	109.3	77%	0.765	60%	0.599	S	S	*	*			trans	-112.6	55.3	-176.9	-61.2	-35.7	0	0	0	112	N24 T28	N24-D26 PolarHBondContact O-N 3.3Å; N24-D26 VanDerWaalsContact O-N 3.14Å; D26-T28 PolarHBondContact O-N 3.12Å
27	R	33.6	Very low	36	Very low	107 Å²	107	106.9 Å²	106.9	40%	0.404	58%	0.581	S	S	.	*			trans	-81.9	92.5	166.8	-74.9	-169.8	178.1	-164.3	-0.8	109.7
28	T	30.8	Very low	38.6	Very low	95 Å²	95	106.5 Å²	106.5	58%	0.583	59%	0.586	S	S	*	*			trans	-92	137.9	157.1	48.8	0	0	0	0	108.4	D26 Y866	D26-T28 PolarHBondContact O-N 3.12Å; T28-Y866 VanDerWaalsContact CG2-OH 3.27Å; T28-Y866 WeakPolarHBondContact CG2-OH 3.3Å
29	F	47.4	Very low	41.6	Very low	84 Å²	84	105.2 Å²	105.2	37%	0.368	58%	0.575	S	S	.	*			trans	-95	139.6	-164.9	-76.1	-86.8	0	0	0	113.4	S122 L123	F29-S122 WeakPolarHBondContact CE1-OG 3.39Å; F29-L123 HydrophobicContact CZ-CD1 4.47Å; F29-L123 HydrophobicContact CZ-CD2 4.06Å; F29-L123 HydrophobicContact CZ-CG 4.02Å
30	S	28.5	Very low	44.6	Very low	99 Å²	99	102.3 Å²	102.3	69%	0.692	56%	0.559	S	S	*	*			trans	-136.1	145	151	85	0	0	0	0	109.7	S32	S30-S32 PolarHBondContact O-N 3.39Å; S30-S32 VanDerWaalsContact O-N 3.15Å
31	M	34.5	Very low	47.5	Very low	188 Å²	188	104.7 Å²	104.7	93%	0.926	56%	0.56	S	S	*	*			trans	-76.8	88.6	177.8	-86.4	-174.1	62.7	0	0	111.1
32	S	35.3	Very low	50.7	Low	62 Å²	62	103.9 Å²	103.9	43%	0.434	56%	0.555	S	S	.	*			trans	-112	110.4	157.3	68.2	0	0	0	0	108.7	S30 N36	S30-S32 PolarHBondContact O-N 3.39Å; S30-S32 VanDerWaalsContact O-N 3.15Å; S32-N36 PolarHBondContact O-ND2 3.41Å; S32-N36 VanDerWaalsContact O-ND2 3.11Å
33	S	49.9	Very low	53.9	Low	87 Å²	87	97.1 Å²	97.1	61%	0.608	53%	0.528	S	S	*	.			trans	-82.7	-40	-160	48.4	0	0	0	0	115.3
34	A	45.8	Very low	57.1	Low	76 Å²	76	92.9 Å²	92.9	63%	0.628	51%	0.506	S	S	*	.	H	α-helix	trans	-72.4	-46.1	-169.6	0	0	0	0	0	114.7	N36	A34-N36 PolarHBondContact O-N 2.9Å
35	S	55.4	Low	60.4	Low	58 Å²	58	89.9 Å²	89.9	41%	0.406	50%	0.495	S	S	.	.	H	α-helix	trans	-72.9	-13.7	-172.7	65.7	0	0	0	0	114.7	K39	S35-K39 WeakPolarHBondContact O-CD 3.26Å; S35-K39 WeakPolarHBondContact O-CG 3.23Å
36	N	69.7	Low	63.7	Low	49 Å²	49	85.5 Å²	85.5	26%	0.262	48%	0.478	S	S	.	.	H	α-helix	trans	-92.1	-35.8	-175.2	-76.4	-26.7	0	0	0	111.9	S32 A34 K39 K40	S32-N36 PolarHBondContact O-ND2 3.41Å; S32-N36 VanDerWaalsContact O-ND2 3.11Å; A34-N36 PolarHBondContact O-N 2.9Å; N36-K39 PolarHBondContact O-N 3.23Å; N36-K40 WeakPolarHBondContact O-CG 3.26Å; N36-K40 PolarHBondContact O-N 2.96Å; N36-K40 VanDerWaalsContact O-N 3.14Å
37	D	74.5	Confident	67	Low	76 Å²	76	80.6 Å²	80.6	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-72.5	-41.7	-178.7	-69	-28	0	0	0	111.9	K39 K40 E41	D37-K39 PolarHBondContact O-N 2.98Å; D37-K40 WeakPolarHBondContact O-CB 3.34Å; D37-K40 PolarHBondContact O-N 3.44Å; D37-K40 IonicContact OD1-NZ 3.06Å; D37-K40 PolarHBondContact OD1-NZ 2.98Å; D37-E41 PolarHBondContact O-N 3.17Å
38	E	77.8	Confident	70	Confident	144 Å²	144	76.3 Å²	76.3	67%	0.673	44%	0.437	S	S	*	.	H	α-helix	trans	-56	-39.2	172.3	-69.1	-176.4	171.1	0	0	112.1	S42	E38-S42 PolarHBondContact O-N 2.75Å; E38-S42 VanDerWaalsContact O-N 3.08Å
39	K	86.6	Confident	73.2	Confident	126 Å²	126	75.7 Å²	75.7	55%	0.548	43%	0.429	S	S	.	.	H	α-helix	trans	-65.6	-41.6	176.3	-73.1	176.3	-173.8	170.7	0	111.6	S35 N36 D37 S42 L43	S35-K39 WeakPolarHBondContact O-CD 3.26Å; S35-K39 WeakPolarHBondContact O-CG 3.23Å; N36-K39 PolarHBondContact O-N 3.23Å; D37-K39 PolarHBondContact O-N 2.98Å; K39-S42 PolarHBondContact O-N 2.95Å; K39-S42 PolarHBondContact O-OG 3.08Å; K39-L43 WeakPolarHBondContact O-CG 3.13Å; K39-L43 PolarHBondContact O-N 3.42Å; K39-L43 VanDerWaalsContact O-N 3.15Å
40	K	87	Confident	75.5	Confident	20 Å²	20	75.9 Å²	75.9	9%	0.087	43%	0.431	C	S	.	.	H	α-helix	trans	-64	-47.1	177.3	-66.8	175	-169.4	155.8	0	111.5	N36 D37 S42 L43 D44 G121 R124	N36-K40 WeakPolarHBondContact O-CG 3.26Å; N36-K40 PolarHBondContact O-N 2.96Å; N36-K40 VanDerWaalsContact O-N 3.14Å; D37-K40 WeakPolarHBondContact O-CB 3.34Å; D37-K40 PolarHBondContact O-N 3.44Å; D37-K40 IonicContact OD1-NZ 3.06Å; D37-K40 PolarHBondContact OD1-NZ 2.98Å; K40-S42 VanDerWaalsContact C-N 3.26Å; K40-S42 PolarHBondContact O-N 2.93Å; K40-L43 WeakPolarHBondContact O-CB 3.41Å; K40-L43 PolarHBondContact O-N 3.09Å; K40-D44 WeakPolarHBondContact O-CB 3.33Å; K40-D44 VanDerWaalsContact O-CG 3.23Å; K40-D44 PolarHBondContact O-N 3.29Å; K40-G121 VanDerWaalsContact CE-O 3.26Å; K40-G121 WeakPolarHBondContact CE-O 3.37Å; K40-G121 PolarHBondContact NZ-O 3.19Å; K40-R124 HydrophobicContact CB-CG 4.33Å; K40-R124 HydrophobicContact CD-CG 4.28Å; K40-R124 HydrophobicContact CG-CG 3.8Å
41	E	88.2	Confident	78.8	Confident	135 Å²	135	71.2 Å²	71.2	63%	0.631	40%	0.398	S	S	*	.	H	α-helix	trans	-58.2	-41.4	179	-71.1	-177.9	177.6	0	0	111.3	D37 L43 D44 S45	D37-E41 PolarHBondContact O-N 3.17Å; E41-L43 VanDerWaalsContact C-N 3.35Å; E41-L43 PolarHBondContact O-N 3.34Å; E41-D44 PolarHBondContact O-N 3.07Å; E41-S45 VanDerWaalsContact O-CB 3.3Å; E41-S45 WeakPolarHBondContact O-CB 3.5Å; E41-S45 PolarHBondContact O-N 3.05Å
42	S	91.8	Very high	81.7	Confident	70 Å²	70	63.8 Å²	63.8	49%	0.49	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-39.1	176.1	78.5	0	0	0	0	113	E38 K39 K40 S46	E38-S42 PolarHBondContact O-N 2.75Å; E38-S42 VanDerWaalsContact O-N 3.08Å; K39-S42 PolarHBondContact O-N 2.95Å; K39-S42 PolarHBondContact O-OG 3.08Å; K40-S42 VanDerWaalsContact C-N 3.26Å; K40-S42 PolarHBondContact O-N 2.93Å; S42-S46 WeakPolarHBondContact O-CB 3.16Å; S42-S46 PolarHBondContact O-N 3.21Å
43	L	91.7	Very high	84.6	Confident	53 Å²	53	69.2 Å²	69.2	28%	0.277	37%	0.374	S	S	.	.	H	α-helix	trans	-70.6	-43	177.1	-70.9	170.9	0	0	0	111.3	L19 K39 K40 E41 S45 S46 E47	L19-L43 HydrophobicContact CD1-CD2 4.45Å; L19-L43 HydrophobicContact CD2-CD2 3.6Å; K39-L43 WeakPolarHBondContact O-CG 3.13Å; K39-L43 PolarHBondContact O-N 3.42Å; K39-L43 VanDerWaalsContact O-N 3.15Å; K40-L43 WeakPolarHBondContact O-CB 3.41Å; K40-L43 PolarHBondContact O-N 3.09Å; E41-L43 VanDerWaalsContact C-N 3.35Å; E41-L43 PolarHBondContact O-N 3.34Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.39Å; L43-S46 WeakPolarHBondContact O-CB 3.43Å; L43-S46 PolarHBondContact O-N 2.89Å; L43-E47 PolarHBondContact O-N 3.15Å
44	D	92.5	Very high	86.9	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.059	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-44.6	176.8	-69.1	-12.3	0	0	0	110.7	K40 E41 S46 E47 C48 Y112 R124 R129	K40-D44 WeakPolarHBondContact O-CB 3.33Å; K40-D44 VanDerWaalsContact O-CG 3.23Å; K40-D44 PolarHBondContact O-N 3.29Å; E41-D44 PolarHBondContact O-N 3.07Å; D44-S46 PolarHBondContact O-N 2.99Å; D44-E47 PolarHBondContact O-N 3.18Å; D44-C48 WeakPolarHBondContact O-CB 3.27Å; D44-C48 PolarHBondContact O-N 2.93Å; D44-Y112 HydrophobicContact CB-CD1 4.47Å; D44-R124 IonicContact OD1-CZ 3.87Å; D44-R124 VanDerWaalsContact OD1-CZ 3.25Å; D44-R124 IonicContact OD1-NE 3.8Å; D44-R124 PolarHBondContact OD1-NE 3.14Å; D44-R124 IonicContact OD1-NH2 3Å; D44-R124 PolarHBondContact OD1-NH2 2.81Å; D44-R129 IonicContact OD1-CZ 2.98Å; D44-R129 IonicContact OD1-NH1 2.69Å; D44-R129 PolarHBondContact OD1-NH1 3.03Å; D44-R129 IonicContact OD1-NH2 3.64Å; D44-R129 PolarHBondContact OD1-NH2 2.79Å; D44-R129 VanDerWaalsContact OD1-NH2 3.09Å; D44-R129 IonicContact OD2-CZ 3.57Å; D44-R129 IonicContact OD2-NH1 2.73Å; D44-R129 IonicContact OD2-NH2 3.33Å; D44-R129 PolarHBondContact OD2-NH2 3.36Å
45	S	94.4	Very high	89.3	Confident	66 Å²	66	62.9 Å²	62.9	46%	0.462	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-44.3	174.1	-176.7	0	0	0	0	111.9	E41 L43 C48 I49	E41-S45 VanDerWaalsContact O-CB 3.3Å; E41-S45 WeakPolarHBondContact O-CB 3.5Å; E41-S45 PolarHBondContact O-N 3.05Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.39Å; S45-C48 WeakPolarHBondContact O-CB 3.44Å; S45-C48 PolarHBondContact O-N 3.2Å; S45-I49 WeakPolarHBondContact O-CD1 3.42Å; S45-I49 VanDerWaalsContact O-CG1 3.25Å; S45-I49 WeakPolarHBondContact O-CG1 3.47Å; S45-I49 PolarHBondContact O-N 3.44Å
46	S	95.6	Very high	91.2	Very high	46 Å²	46	63.4 Å²	63.4	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-47.1	177.7	-175.7	0	0	0	0	112.8	S42 L43 D44 I49 Q50	S42-S46 WeakPolarHBondContact O-CB 3.16Å; S42-S46 PolarHBondContact O-N 3.21Å; L43-S46 WeakPolarHBondContact O-CB 3.43Å; L43-S46 PolarHBondContact O-N 2.89Å; D44-S46 PolarHBondContact O-N 2.99Å; S46-I49 PolarHBondContact O-N 3.06Å; S46-Q50 VanDerWaalsContact O-CG 3.31Å; S46-Q50 WeakPolarHBondContact O-CG 3.24Å; S46-Q50 PolarHBondContact O-N 3.34Å; S46-Q50 PolarHBondContact O-NE2 3.23Å; S46-Q50 PolarHBondContact OG-NE2 3.04Å
47	E	95.2	Very high	92.4	Very high	41 Å²	41	63.6 Å²	63.6	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-39.2	177.4	-74	172.9	-169.1	0	0	111.7	L43 D44 Q50 M51 Y112 R124	L43-E47 PolarHBondContact O-N 3.15Å; D44-E47 PolarHBondContact O-N 3.18Å; E47-Q50 PolarHBondContact O-N 3.46Å; E47-M51 WeakPolarHBondContact O-CB 3.48Å; E47-M51 PolarHBondContact O-N 3.1Å; E47-Y112 HydrophobicContact CB-CE1 3.66Å; E47-R124 IonicContact OE1-CZ 2.85Å; E47-R124 IonicContact OE1-NH1 3.79Å; E47-R124 PolarHBondContact OE1-NH1 2.84Å; E47-R124 IonicContact OE1-NH2 2.79Å; E47-R124 PolarHBondContact OE1-NH2 2.94Å; E47-R124 IonicContact OE2-CZ 2.72Å; E47-R124 IonicContact OE2-NH1 3.29Å; E47-R124 IonicContact OE2-NH2 3.46Å; E47-R124 PolarHBondContact OE2-NH2 3.44Å
48	C	97.7	Very high	93.4	Very high	17 Å²	17	60 Å²	60	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-48.6	173.7	-173.6	0	0	0	0	111.6	D44 S45 Q50 M51 V52 Y112	D44-C48 WeakPolarHBondContact O-CB 3.27Å; D44-C48 PolarHBondContact O-N 2.93Å; S45-C48 WeakPolarHBondContact O-CB 3.44Å; S45-C48 PolarHBondContact O-N 3.2Å; C48-Q50 VanDerWaalsContact C-N 3.31Å; C48-Q50 PolarHBondContact O-N 2.86Å; C48-M51 PolarHBondContact O-N 3.11Å; C48-V52 WeakPolarHBondContact O-CG2 3.16Å; C48-V52 PolarHBondContact O-N 3.39Å; C48-Y112 HydrophobicContact CB-CD1 4.25Å; C48-Y112 HydrophobicContact CB-CD2 3.63Å; C48-Y112 HydrophobicContact CB-CE2 4.16Å; C48-Y112 HydrophobicContact CB-CG 3.69Å
49	I	97.3	Very high	94.2	Very high	82 Å²	82	55.3 Å²	55.3	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-43.2	177.4	-70.4	164.1	0	0	0	110.8	S45 S46 V52 R53	S45-I49 WeakPolarHBondContact O-CD1 3.42Å; S45-I49 VanDerWaalsContact O-CG1 3.25Å; S45-I49 WeakPolarHBondContact O-CG1 3.47Å; S45-I49 PolarHBondContact O-N 3.44Å; S46-I49 PolarHBondContact O-N 3.06Å; I49-V52 PolarHBondContact O-N 3.32Å; I49-R53 WeakPolarHBondContact O-CB 3.46Å; I49-R53 VanDerWaalsContact O-CG 3.3Å; I49-R53 WeakPolarHBondContact O-CG 3.31Å; I49-R53 PolarHBondContact O-N 2.69Å
50	Q	96.9	Very high	94.6	Very high	88 Å²	88	52.9 Å²	52.9	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-43.3	177.3	-71.9	172.7	52.1	0	0	111.7	S46 E47 C48 R53 L54	S46-Q50 VanDerWaalsContact O-CG 3.31Å; S46-Q50 WeakPolarHBondContact O-CG 3.24Å; S46-Q50 PolarHBondContact O-N 3.34Å; S46-Q50 PolarHBondContact O-NE2 3.23Å; S46-Q50 PolarHBondContact OG-NE2 3.04Å; E47-Q50 PolarHBondContact O-N 3.46Å; C48-Q50 VanDerWaalsContact C-N 3.31Å; C48-Q50 PolarHBondContact O-N 2.86Å; Q50-R53 PolarHBondContact O-N 3.17Å; Q50-L54 WeakPolarHBondContact O-CB 3.43Å; Q50-L54 PolarHBondContact O-N 3.18Å
51	M	96.5	Very high	94.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-44.1	177.6	-173.2	57.6	-178.1	0	0	112.1	E47 C48 R53 L54 C55 I108 Y112 T135 M136	E47-M51 WeakPolarHBondContact O-CB 3.48Å; E47-M51 PolarHBondContact O-N 3.1Å; C48-M51 PolarHBondContact O-N 3.11Å; M51-R53 VanDerWaalsContact C-N 3.32Å; M51-R53 PolarHBondContact O-N 3.01Å; M51-L54 WeakPolarHBondContact O-CB 3.13Å; M51-L54 PolarHBondContact O-N 3.15Å; M51-L54 VanDerWaalsContact O-N 3.15Å; M51-L54 HydrophobicContact SD-CD2 4.14Å; M51-C55 PolarHBondContact O-N 3.11Å; M51-C55 PolarHBondContact O-SG 3.19Å; M51-C55 VanDerWaalsContact O-SG 3.34Å; M51-I108 HydrophobicContact CB-CG2 4.22Å; M51-I108 HydrophobicContact CE-CD1 3.71Å; M51-I108 HydrophobicContact CG-CD1 4Å; M51-I108 HydrophobicContact CG-CG2 3.7Å; M51-Y112 HydrophobicContact CB-CE2 4.28Å; M51-T135 HydrophobicContact CE-CG2 3.57Å; M51-M136 HydrophobicContact CB-CE 4.41Å; M51-M136 HydrophobicContact CE-CB 4.44Å; M51-M136 WeakPolarHBondContact SD-CA 3.38Å; M51-M136 HydrophobicContact SD-CB 3.64Å; M51-M136 HydrophobicContact SD-CG 3.76Å
52	V	96.3	Very high	95	Very high	31 Å²	31	47.4 Å²	47.4	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-39.2	177.3	172.5	0	0	0	0	111.5	C48 I49 C55 S56 K109	C48-V52 WeakPolarHBondContact O-CG2 3.16Å; C48-V52 PolarHBondContact O-N 3.39Å; I49-V52 PolarHBondContact O-N 3.32Å; V52-C55 PolarHBondContact O-N 3.42Å; V52-S56 PolarHBondContact O-N 3.06Å; V52-S56 PolarHBondContact O-OG 3.19Å; V52-K109 HydrophobicContact CG2-CD 4.5Å; V52-K109 HydrophobicContact CG2-CG 4.07Å
53	R	96.7	Very high	95	Very high	177 Å²	177	50.8 Å²	50.8	67%	0.668	25%	0.254	S	S	*	.	H	α-helix	trans	-62.6	-42.6	173.2	-74.6	174.9	179.6	-177.6	1.8	111.6	I49 Q50 M51 S56 E57	I49-R53 WeakPolarHBondContact O-CB 3.46Å; I49-R53 VanDerWaalsContact O-CG 3.3Å; I49-R53 WeakPolarHBondContact O-CG 3.31Å; I49-R53 PolarHBondContact O-N 2.69Å; Q50-R53 PolarHBondContact O-N 3.17Å; M51-R53 VanDerWaalsContact C-N 3.32Å; M51-R53 PolarHBondContact O-N 3.01Å; R53-S56 WeakPolarHBondContact O-CB 3.36Å; R53-S56 PolarHBondContact O-N 3.45Å; R53-E57 PolarHBondContact O-N 3.46Å
54	L	96.8	Very high	94.9	Very high	28 Å²	28	51 Å²	51	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-43.8	176.6	178.6	60.7	0	0	0	111.7	Q50 M51 S56 E57 L58 M136 A140 L143	Q50-L54 WeakPolarHBondContact O-CB 3.43Å; Q50-L54 PolarHBondContact O-N 3.18Å; M51-L54 WeakPolarHBondContact O-CB 3.13Å; M51-L54 PolarHBondContact O-N 3.15Å; M51-L54 VanDerWaalsContact O-N 3.15Å; M51-L54 HydrophobicContact SD-CD2 4.14Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.15Å; L54-E57 PolarHBondContact O-N 3.38Å; L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 PolarHBondContact O-N 2.9Å; L54-M136 HydrophobicContact CD2-CG 4.21Å; L54-M136 WeakPolarHBondContact CD2-O 3.44Å; L54-A140 HydrophobicContact CD2-CB 4.1Å; L54-L143 HydrophobicContact CD1-CB 4.39Å; L54-L143 HydrophobicContact CD1-CD2 3.64Å
55	C	95.9	Very high	94.7	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-41.4	173.8	-65.1	0	0	0	0	112	M51 V52 L58 H59 L100	M51-C55 PolarHBondContact O-N 3.11Å; M51-C55 PolarHBondContact O-SG 3.19Å; M51-C55 VanDerWaalsContact O-SG 3.34Å; V52-C55 PolarHBondContact O-N 3.42Å; C55-L58 PolarHBondContact O-N 2.72Å; C55-H59 VanDerWaalsContact O-CB 3.29Å; C55-H59 WeakPolarHBondContact O-CB 3.4Å; C55-H59 PolarHBondContact O-N 2.72Å; C55-L100 HydrophobicContact CB-CD2 4.17Å
56	S	95.9	Very high	94.4	Very high	69 Å²	69	48.7 Å²	48.7	48%	0.483	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-42.5	179	-56.2	0	0	0	0	112.1	V52 R53 L54 H59 L60	V52-S56 PolarHBondContact O-N 3.06Å; V52-S56 PolarHBondContact O-OG 3.19Å; R53-S56 WeakPolarHBondContact O-CB 3.36Å; R53-S56 PolarHBondContact O-N 3.45Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.15Å; S56-H59 WeakPolarHBondContact O-CB 3.43Å; S56-H59 PolarHBondContact O-N 3.11Å; S56-L60 PolarHBondContact O-N 2.86Å
57	E	95.8	Very high	94	Very high	53 Å²	53	50 Å²	50	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-45	176.4	178.8	59.7	-157.1	0	0	111.5	R53 L54 H59 L60 Q61 L143 R147	R53-E57 PolarHBondContact O-N 3.46Å; L54-E57 PolarHBondContact O-N 3.38Å; E57-H59 PolarHBondContact O-N 3.21Å; E57-L60 PolarHBondContact O-N 3.43Å; E57-Q61 WeakPolarHBondContact O-CG 3.48Å; E57-Q61 PolarHBondContact O-N 3.45Å; E57-Q61 PolarHBondContact OE1-NE2 3.3Å; E57-L143 HydrophobicContact CB-CD2 4.29Å; E57-L143 HydrophobicContact CG-CD1 3.89Å; E57-L143 HydrophobicContact CG-CD2 3.6Å; E57-L143 HydrophobicContact CG-CG 4.41Å; E57-R147 IonicContact OE1-CZ 3.5Å; E57-R147 IonicContact OE1-NE 2.76Å; E57-R147 IonicContact OE1-NH2 3.81Å; E57-R147 PolarHBondContact OE1-NH2 2.85Å
58	L	95.2	Very high	93.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-40.4	175.5	-175.7	63.1	0	0	0	111.4	L54 C55 C62 L96 L100 L142 L143 I146 L172	L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 PolarHBondContact O-N 2.9Å; C55-L58 PolarHBondContact O-N 2.72Å; L58-C62 VanDerWaalsContact O-CB 3.23Å; L58-C62 WeakPolarHBondContact O-CB 3.46Å; L58-C62 PolarHBondContact O-N 2.85Å; L58-L96 HydrophobicContact CD1-CD2 4.18Å; L58-L96 HydrophobicContact CD2-CD1 4.02Å; L58-L96 HydrophobicContact CD2-CD2 4.47Å; L58-L96 HydrophobicContact CG-CD1 4.5Å; L58-L96 HydrophobicContact CG-CD2 4.19Å; L58-L100 HydrophobicContact CB-CD1 4.3Å; L58-L100 HydrophobicContact CD2-CD1 4.19Å; L58-L100 HydrophobicContact CD2-CD2 4.47Å; L58-L100 HydrophobicContact CG-CD1 3.96Å; L58-L142 HydrophobicContact CD1-CD2 4.16Å; L58-L142 HydrophobicContact CD1-CG 3.96Å; L58-L142 HydrophobicContact CD2-CD2 4Å; L58-L143 HydrophobicContact CD1-CB 4.2Å; L58-L143 HydrophobicContact CD1-CD1 4.45Å; L58-I146 HydrophobicContact CD1-CD1 3.63Å; L58-L172 HydrophobicContact CD2-CD2 4.17Å
59	H	94.5	Very high	92.7	Very high	45 Å²	45	49.5 Å²	49.5	21%	0.208	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-47	176.4	-170.9	-177.7	0	0	0	111.4	C55 S56 E57 Q61 C62 R63 H97 L100 N101	C55-H59 VanDerWaalsContact O-CB 3.29Å; C55-H59 WeakPolarHBondContact O-CB 3.4Å; C55-H59 PolarHBondContact O-N 2.72Å; S56-H59 WeakPolarHBondContact O-CB 3.43Å; S56-H59 PolarHBondContact O-N 3.11Å; E57-H59 PolarHBondContact O-N 3.21Å; H59-Q61 PolarHBondContact O-N 3.33Å; H59-C62 PolarHBondContact O-N 3.26Å; H59-R63 WeakPolarHBondContact O-CB 3.49Å; H59-R63 PolarHBondContact O-N 3.09Å; H59-H97 AromaticContact CD2-CE1 3.84Å; H59-H97 AromaticContact CD2-ND1 3.4Å; H59-H97 PolarHBondContact CD2-ND1 3.07Å; H59-H97 AromaticContact NE2-CE1 3.09Å; H59-H97 PolarHBondContact NE2-CE1 3.27Å; H59-H97 AromaticContact NE2-ND1 3.08Å; H59-H97 PolarHBondContact NE2-ND1 3.16Å; H59-L100 HydrophobicContact CB-CB 4.14Å; H59-L100 HydrophobicContact CB-CD1 3.8Å; H59-L100 HydrophobicContact CB-CG 4.5Å; H59-N101 PolarHBondContact CE1-OD1 3.21Å; H59-N101 PolarHBondContact NE2-OD1 3.33Å
60	L	94.4	Very high	91.9	Very high	75 Å²	75	52.5 Å²	52.5	39%	0.393	25%	0.248	S	C	.	.	H	α-helix	trans	-58.5	-46.9	177.5	178.3	60.9	0	0	0	111.7	S56 E57 R63 T64	S56-L60 PolarHBondContact O-N 2.86Å; E57-L60 PolarHBondContact O-N 3.43Å; L60-R63 PolarHBondContact O-N 3.28Å; L60-T64 PolarHBondContact O-N 3.43Å; L60-T64 PolarHBondContact O-OG1 3.04Å
61	Q	92.3	Very high	91.1	Very high	40 Å²	40	51.2 Å²	51.2	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-50	177.4	-65	-58.6	-33.4	0	0	110.9	E57 H59 R63 T64 Y65 L143 I146	E57-Q61 WeakPolarHBondContact O-CG 3.48Å; E57-Q61 PolarHBondContact O-N 3.45Å; E57-Q61 PolarHBondContact OE1-NE2 3.3Å; H59-Q61 PolarHBondContact O-N 3.33Å; Q61-R63 VanDerWaalsContact C-N 3.3Å; Q61-R63 PolarHBondContact O-N 3.21Å; Q61-T64 WeakPolarHBondContact O-CB 3.46Å; Q61-T64 PolarHBondContact O-N 2.85Å; Q61-T64 VanDerWaalsContact O-N 3.12Å; Q61-Y65 VanDerWaalsContact O-CD2 3.23Å; Q61-Y65 WeakPolarHBondContact O-CD2 3.39Å; Q61-Y65 PolarHBondContact O-N 3.38Å; Q61-L143 HydrophobicContact CB-CD1 4.35Å; Q61-L143 HydrophobicContact CG-CD1 3.68Å; Q61-I146 HydrophobicContact CB-CG2 3.84Å
62	C	92.2	Very high	90	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54.7	-45.1	178.5	-177.8	0	0	0	0	112.2	L58 H59 Y65 L66 L93 L96	L58-C62 VanDerWaalsContact O-CB 3.23Å; L58-C62 WeakPolarHBondContact O-CB 3.46Å; L58-C62 PolarHBondContact O-N 2.85Å; H59-C62 PolarHBondContact O-N 3.26Å; C62-Y65 PolarHBondContact O-N 2.77Å; C62-L66 WeakPolarHBondContact O-CG 3.24Å; C62-L66 PolarHBondContact O-N 3.06Å; C62-L93 PolarHBondContact SG-O 3.38Å; C62-L96 HydrophobicContact CB-CD2 4.1Å
63	R	91.5	Very high	88.7	Confident	141 Å²	141	56.2 Å²	56.2	53%	0.532	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-46.2	176.7	-171.8	179.5	68.1	154.5	1.4	111.8	H59 L60 Q61 Y65 L66 T67	H59-R63 WeakPolarHBondContact O-CB 3.49Å; H59-R63 PolarHBondContact O-N 3.09Å; L60-R63 PolarHBondContact O-N 3.28Å; Q61-R63 VanDerWaalsContact C-N 3.3Å; Q61-R63 PolarHBondContact O-N 3.21Å; R63-Y65 VanDerWaalsContact C-N 3.34Å; R63-Y65 PolarHBondContact O-N 2.85Å; R63-L66 PolarHBondContact O-N 2.94Å; R63-T67 PolarHBondContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.13Å; R63-T67 VanDerWaalsContact O-OG1 3.12Å
64	T	90.1	Very high	86.8	Confident	58 Å²	58	54 Å²	54	36%	0.356	27%	0.268	S	S	.	.	H	α-helix	trans	-57	-47	178.1	-60	0	0	0	0	111.3	L60 Q61 T67 I68	L60-T64 PolarHBondContact O-N 3.43Å; L60-T64 PolarHBondContact O-OG1 3.04Å; Q61-T64 WeakPolarHBondContact O-CB 3.46Å; Q61-T64 PolarHBondContact O-N 2.85Å; Q61-T64 VanDerWaalsContact O-N 3.12Å; T64-T67 PolarHBondContact O-N 2.85Å; T64-I68 HydrophobicContact CG2-CD1 3.97Å; T64-I68 VanDerWaalsContact O-CG1 3.3Å; T64-I68 WeakPolarHBondContact O-CG1 3.27Å; T64-I68 PolarHBondContact O-N 3.45Å
65	Y	87.4	Confident	84.9	Confident	19 Å²	19	58.4 Å²	58.4	8%	0.075	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-41.4	177.4	-77.9	-80.3	0	0	0	112.5	Q61 C62 R63 T67 I68 I69 I146 M149 W157	Q61-Y65 VanDerWaalsContact O-CD2 3.23Å; Q61-Y65 WeakPolarHBondContact O-CD2 3.39Å; Q61-Y65 PolarHBondContact O-N 3.38Å; C62-Y65 PolarHBondContact O-N 2.77Å; R63-Y65 VanDerWaalsContact C-N 3.34Å; R63-Y65 PolarHBondContact O-N 2.85Å; Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 2.91Å; Y65-I68 PolarHBondContact O-N 2.84Å; Y65-I69 VanDerWaalsContact O-CD1 3.26Å; Y65-I69 WeakPolarHBondContact O-CD1 3.36Å; Y65-I69 WeakPolarHBondContact O-CG1 3.18Å; Y65-I69 PolarHBondContact O-N 3.29Å; Y65-I146 HydrophobicContact CD2-CG2 3.66Å; Y65-I146 HydrophobicContact CE2-CG2 3.53Å; Y65-I146 PolarHBondContact OH-O 3.16Å; Y65-I146 VanDerWaalsContact OH-O 3.07Å; Y65-M149 HydrophobicContact CE1-CB 3.81Å; Y65-M149 PolarHBondContact OH-O 3.4Å; Y65-W157 AromaticContact CD1-CH2 3.85Å; Y65-W157 HydrophobicContact CD1-CH2 3.85Å; Y65-W157 AromaticContact CD1-CZ2 3.83Å; Y65-W157 HydrophobicContact CD1-CZ2 3.83Å; Y65-W157 HydrophobicContact CE1-CZ2 4.31Å
66	L	88.4	Confident	82.8	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-37.2	174.3	-74.4	172.4	0	0	0	112.3	C62 R63 I69 R70 V90 L93 K94 H97	C62-L66 WeakPolarHBondContact O-CG 3.24Å; C62-L66 PolarHBondContact O-N 3.06Å; R63-L66 PolarHBondContact O-N 2.94Å; L66-I69 HydrophobicContact CD2-CD1 4.43Å; L66-R70 WeakPolarHBondContact O-CG 3.4Å; L66-R70 PolarHBondContact O-N 3.07Å; L66-R70 VanDerWaalsContact O-N 3.07Å; L66-V90 HydrophobicContact CD2-CG1 4.32Å; L66-L93 HydrophobicContact CD2-CB 3.81Å; L66-L93 HydrophobicContact CG-CB 4.14Å; L66-K94 HydrophobicContact CD2-CG 4.02Å; L66-H97 HydrophobicContact CD1-CB 3.83Å
67	T	87.8	Confident	80.5	Confident	73 Å²	73	64.6 Å²	64.6	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-66.1	-48.2	173.7	-61.4	0	0	0	0	111.5	R63 T64 Y65 I69 R70 T71	R63-T67 PolarHBondContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.13Å; R63-T67 VanDerWaalsContact O-OG1 3.12Å; T64-T67 PolarHBondContact O-N 2.85Å; Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 2.91Å; T67-I69 PolarHBondContact O-N 2.82Å; T67-R70 PolarHBondContact O-N 2.99Å; T67-R70 VanDerWaalsContact O-N 3.16Å; T67-T71 HydrophobicContact CG2-CG2 4.39Å; T67-T71 WeakPolarHBondContact O-CG2 3.39Å; T67-T71 PolarHBondContact O-N 3.15Å; T67-T71 PolarHBondContact O-OG1 3.05Å
68	I	84.1	Confident	78.4	Confident	42 Å²	42	70.2 Å²	70.2	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-38.7	176.6	-68.8	165.9	0	0	0	111.1	T64 Y65 T71 N72	T64-I68 HydrophobicContact CG2-CD1 3.97Å; T64-I68 VanDerWaalsContact O-CG1 3.3Å; T64-I68 WeakPolarHBondContact O-CG1 3.27Å; T64-I68 PolarHBondContact O-N 3.45Å; Y65-I68 PolarHBondContact O-N 2.84Å; I68-T71 WeakPolarHBondContact CA-OG1 3.39Å; I68-T71 PolarHBondContact O-OG1 3.19Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.49Å; I68-N72 WeakPolarHBondContact O-CB 3.45Å; I68-N72 PolarHBondContact O-N 3.11Å; I68-N72 VanDerWaalsContact O-N 3.11Å; I68-N72 PolarHBondContact O-ND2 3.21Å
69	I	80.5	Confident	76.1	Confident	5 Å²	5	76.7 Å²	76.7	3%	0.026	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-49.8	177	-65.7	156	0	0	0	110.9	Y65 L66 T67 T71 N72 L73 V90 L93 I154 W157	Y65-I69 VanDerWaalsContact O-CD1 3.26Å; Y65-I69 WeakPolarHBondContact O-CD1 3.36Å; Y65-I69 WeakPolarHBondContact O-CG1 3.18Å; Y65-I69 PolarHBondContact O-N 3.29Å; L66-I69 HydrophobicContact CD2-CD1 4.43Å; T67-I69 PolarHBondContact O-N 2.82Å; I69-T71 PolarHBondContact O-N 3.42Å; I69-N72 PolarHBondContact O-N 3.5Å; I69-L73 HydrophobicContact CG2-CD1 3.71Å; I69-L73 HydrophobicContact CG2-CG 4.33Å; I69-L73 WeakPolarHBondContact O-CB 3.46Å; I69-L73 VanDerWaalsContact O-CG 3.32Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.44Å; I69-V90 HydrophobicContact CD1-CG2 4.1Å; I69-V90 HydrophobicContact CG2-CG1 4.3Å; I69-V90 HydrophobicContact CG2-CG2 3.93Å; I69-L93 HydrophobicContact CD1-CD1 3.98Å; I69-I154 HydrophobicContact CB-CD1 4.33Å; I69-I154 HydrophobicContact CG1-CD1 4.14Å; I69-W157 HydrophobicContact CD1-CH2 3.58Å; I69-W157 HydrophobicContact CD1-CZ3 3.33Å; I69-W157 HydrophobicContact CG1-CH2 3.38Å; I69-W157 HydrophobicContact CG1-CZ3 3.41Å; I69-W157 VanDerWaalsContact CG1-CZ3 3.41Å
70	R	81.6	Confident	73.6	Confident	145 Å²	145	79 Å²	79	55%	0.547	40%	0.397	S	S	.	.	H	α-helix	trans	-59	-47.6	178.6	-72.8	179.5	-164.2	175.2	3.6	111.4	L66 T67 N72 L73 E74	L66-R70 WeakPolarHBondContact O-CG 3.4Å; L66-R70 PolarHBondContact O-N 3.07Å; L66-R70 VanDerWaalsContact O-N 3.07Å; T67-R70 PolarHBondContact O-N 2.99Å; T67-R70 VanDerWaalsContact O-N 3.16Å; R70-N72 VanDerWaalsContact C-N 3.33Å; R70-N72 PolarHBondContact O-N 3.24Å; R70-L73 PolarHBondContact O-N 3.21Å; R70-E74 WeakPolarHBondContact O-CB 3.27Å; R70-E74 WeakPolarHBondContact O-CG 3.14Å; R70-E74 PolarHBondContact O-N 3.13Å
71	T	80.3	Confident	70.9	Confident	61 Å²	61	85.5 Å²	85.5	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-38.4	-179.3	53.9	0	0	0	0	112.7	T67 I68 I69 I75	T67-T71 HydrophobicContact CG2-CG2 4.39Å; T67-T71 WeakPolarHBondContact O-CG2 3.39Å; T67-T71 PolarHBondContact O-N 3.15Å; T67-T71 PolarHBondContact O-OG1 3.05Å; I68-T71 WeakPolarHBondContact CA-OG1 3.39Å; I68-T71 PolarHBondContact O-OG1 3.19Å; I69-T71 PolarHBondContact O-N 3.42Å; T71-I75 VanDerWaalsContact O-CD1 3.3Å; T71-I75 WeakPolarHBondContact O-CD1 3.4Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3.45Å
72	N	72.9	Confident	68.4	Low	62 Å²	62	87.2 Å²	87.2	33%	0.332	44%	0.442	S	S	.	.	H	α-helix	trans	-75.5	-31.3	178.5	-77.6	-54.4	0	0	0	112.8	I68 I69 R70 D76 I154	I68-N72 WeakPolarHBondContact CG2-ND2 3.49Å; I68-N72 WeakPolarHBondContact O-CB 3.45Å; I68-N72 PolarHBondContact O-N 3.11Å; I68-N72 VanDerWaalsContact O-N 3.11Å; I68-N72 PolarHBondContact O-ND2 3.21Å; I69-N72 PolarHBondContact O-N 3.5Å; R70-N72 VanDerWaalsContact C-N 3.33Å; R70-N72 PolarHBondContact O-N 3.24Å; N72-D76 PolarHBondContact O-N 3.19Å; N72-I154 HydrophobicContact CB-CD1 3.4Å; N72-I154 VanDerWaalsContact CB-CD1 3.4Å; N72-I154 HydrophobicContact CB-CG1 4.45Å; N72-I154 WeakPolarHBondContact ND2-CD1 3.35Å
73	L	67.8	Low	65.9	Low	76 Å²	76	93.2 Å²	93.2	40%	0.398	48%	0.484	S	S	.	.	H	α-helix	trans	-69.9	-40.9	172.9	-71.1	171.6	0	0	0	111.3	I69 R70 I75 D76 D77	I69-L73 HydrophobicContact CG2-CD1 3.71Å; I69-L73 HydrophobicContact CG2-CG 4.33Å; I69-L73 WeakPolarHBondContact O-CB 3.46Å; I69-L73 VanDerWaalsContact O-CG 3.32Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.44Å; R70-L73 PolarHBondContact O-N 3.21Å; L73-I75 VanDerWaalsContact C-N 3.27Å; L73-I75 PolarHBondContact O-N 3.15Å; L73-D76 PolarHBondContact O-N 2.85Å; L73-D76 VanDerWaalsContact O-N 3.15Å; L73-D77 PolarHBondContact O-N 3.48Å
74	E	58.5	Low	63.8	Low	129 Å²	129	94.4 Å²	94.4	60%	0.603	49%	0.488	S	S	*	.	H	α-helix	trans	-63.5	-29.7	175.2	-73.6	170.5	-169.1	0	0	112.7	R70	R70-E74 WeakPolarHBondContact O-CB 3.27Å; R70-E74 WeakPolarHBondContact O-CG 3.14Å; R70-E74 PolarHBondContact O-N 3.13Å
75	I	55.8	Low	61.9	Low	122 Å²	122	97 Å²	97	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-71.8	-32.4	174.7	-69.4	162.4	0	0	0	111.9	T71 L73	T71-I75 VanDerWaalsContact O-CD1 3.3Å; T71-I75 WeakPolarHBondContact O-CD1 3.4Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3.45Å; L73-I75 VanDerWaalsContact C-N 3.27Å; L73-I75 PolarHBondContact O-N 3.15Å
76	D	51.7	Low	60.8	Low	84 Å²	84	100.5 Å²	100.5	45%	0.449	53%	0.526	S	S	.	.	H	α-helix	trans	-79.2	-27.7	176.5	-80.2	-4.7	0	0	0	112.1	N72 L73 E78 N79 R84	N72-D76 PolarHBondContact O-N 3.19Å; L73-D76 PolarHBondContact O-N 2.85Å; L73-D76 VanDerWaalsContact O-N 3.15Å; D76-E78 PolarHBondContact O-N 3.28Å; D76-N79 PolarHBondContact O-N 2.79Å; D76-R84 IonicContact OD2-NH1 3.21Å; D76-R84 PolarHBondContact OD2-NH1 3.44Å
77	D	48.9	Very low	60.3	Low	116 Å²	116	102.8 Å²	102.8	62%	0.62	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-69.4	-7	-174.4	-87.7	-19.3	0	0	0	114.7	L73 N79	L73-D77 PolarHBondContact O-N 3.48Å; D77-N79 PolarHBondContact O-N 3.48Å
78	E	51	Low	60.2	Low	172 Å²	172	105.2 Å²	105.2	80%	0.804	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-67.5	-15.6	165.4	-79.3	-165.7	168.8	0	0	112.5	D76	D76-E78 PolarHBondContact O-N 3.28Å
79	N	46.6	Very low	60.4	Low	136 Å²	136	103.2 Å²	103.2	73%	0.727	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-149	58.5	-177.4	-74	-59.1	0	0	0	114.6	D76 D77	D76-N79 PolarHBondContact O-N 2.79Å; D77-N79 PolarHBondContact O-N 3.48Å
80	T	42.1	Very low	60.8	Low	94 Å²	94	103.7 Å²	103.7	58%	0.577	55%	0.546	S	S	*	.			trans	170.5	113.8	143.1	23.8	0	0	0	0	114.3	S82	T80-S82 VanDerWaalsContact C-N 3.26Å; T80-S82 PolarHBondContact O-N 3.36Å; T80-S82 VanDerWaalsContact O-N 3.08Å
81	E	38.2	Very low	61.2	Low	211 Å²	211	99.8 Å²	99.8	99%	0.986	54%	0.54	S	S	*	.			trans	-75.5	26.1	176.2	-80.3	-172.9	146.4	0	0	116	S83	E81-S83 PolarHBondContact O-N 2.98Å
82	S	38.6	Very low	61.9	Low	77 Å²	77	97 Å²	97	54%	0.538	52%	0.523	S	S	.	.			trans	-93.5	109.1	177.7	66.8	0	0	0	0	111.3	T80 R84	T80-S82 VanDerWaalsContact C-N 3.26Å; T80-S82 PolarHBondContact O-N 3.36Å; T80-S82 VanDerWaalsContact O-N 3.08Å; S82-R84 VanDerWaalsContact C-N 3.34Å; S82-R84 PolarHBondContact O-N 3.44Å
83	S	41.4	Very low	62.9	Low	125 Å²	125	94 Å²	94	87%	0.874	51%	0.507	S	S	*	.			trans	-21.5	77.1	166.2	51	0	0	0	0	116.2	E81 S85	E81-S83 PolarHBondContact O-N 2.98Å; S83-S85 PolarHBondContact O-N 2.9Å
84	R	45.4	Very low	64.2	Low	167 Å²	167	94.8 Å²	94.8	63%	0.63	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-69.7	120	171	-81.8	-177	177	173.1	2.6	107.9	D76 S82 E86	D76-R84 IonicContact OD2-NH1 3.21Å; D76-R84 PolarHBondContact OD2-NH1 3.44Å; S82-R84 VanDerWaalsContact C-N 3.34Å; S82-R84 PolarHBondContact O-N 3.44Å; R84-E86 PolarHBondContact O-N 2.9Å
85	S	51.2	Low	66	Low	113 Å²	113	93 Å²	93	79%	0.79	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-54.2	126.4	168.4	51.9	0	0	0	0	108.8	S83 S87	S83-S85 PolarHBondContact O-N 2.9Å; S85-S87 PolarHBondContact O-N 3.3Å; S85-S87 VanDerWaalsContact O-N 3.14Å
86	E	64.2	Low	68	Low	91 Å²	91	87.1 Å²	87.1	43%	0.425	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-57	121.8	174.3	-177.2	173.7	173.4	0	0	108.6	R84 V90 C91 K94	R84-E86 PolarHBondContact O-N 2.9Å; E86-V90 HydrophobicContact CG-CB 3.76Å; E86-V90 HydrophobicContact CG-CG1 3.98Å; E86-V90 WeakPolarHBondContact OE1-CB 3.45Å; E86-V90 WeakPolarHBondContact OE1-CG1 3.39Å; E86-C91 PolarHBondContact OE1-N 3.46Å; E86-K94 WeakPolarHBondContact OE1-CD 3.48Å; E86-K94 WeakPolarHBondContact OE1-CE 3.41Å; E86-K94 IonicContact OE1-NZ 3.35Å; E86-K94 PolarHBondContact OE1-NZ 3.33Å; E86-K94 IonicContact OE2-NZ 3.03Å; E86-K94 PolarHBondContact OE2-NZ 3.04Å
87	S	78.1	Confident	70.1	Confident	57 Å²	57	85.5 Å²	85.5	40%	0.399	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-62.4	146.6	-177.9	71.6	0	0	0	0	111.3	S85 I89 V90 C91	S85-S87 PolarHBondContact O-N 3.3Å; S85-S87 VanDerWaalsContact O-N 3.14Å; S87-I89 PolarHBondContact O-N 3Å; S87-I89 VanDerWaalsContact OG-CG2 3.32Å; S87-I89 WeakPolarHBondContact OG-CG2 3.42Å; S87-V90 PolarHBondContact O-N 3.42Å; S87-V90 VanDerWaalsContact OG-CG2 3.28Å; S87-V90 WeakPolarHBondContact OG-CG2 3.44Å; S87-C91 PolarHBondContact O-N 3.18Å
88	D	86.4	Confident	72.4	Confident	125 Å²	125	82.8 Å²	82.8	67%	0.668	45%	0.448	S	S	*	.	H	α-helix	trans	-52.2	-32.1	-175.4	-65.8	-31.9	0	0	0	113.8	A92 I166	D88-A92 WeakPolarHBondContact O-CB 3.43Å; D88-A92 PolarHBondContact O-N 3.16Å; D88-I166 HydrophobicContact CB-CD1 3.8Å
89	I	87.6	Confident	74.7	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-70.8	-36.4	178	-173.8	65.1	0	0	0	113.1	S87 C91 A92 L93 M149 W157 H162 V165 I166	S87-I89 PolarHBondContact O-N 3Å; S87-I89 VanDerWaalsContact OG-CG2 3.32Å; S87-I89 WeakPolarHBondContact OG-CG2 3.42Å; I89-C91 VanDerWaalsContact C-N 3.33Å; I89-A92 PolarHBondContact O-N 3.21Å; I89-L93 HydrophobicContact CD1-CD1 4.49Å; I89-L93 HydrophobicContact CD1-CG 4.29Å; I89-L93 HydrophobicContact CG1-CD1 4.01Å; I89-L93 HydrophobicContact CG1-CG 4.26Å; I89-L93 WeakPolarHBondContact O-CB 3.47Å; I89-L93 VanDerWaalsContact O-CG 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.25Å; I89-L93 PolarHBondContact O-N 2.62Å; I89-M149 HydrophobicContact CG1-CE 4.11Å; I89-W157 HydrophobicContact CG2-CE3 4.12Å; I89-H162 VanDerWaalsContact CB-CD2 3.46Å; I89-H162 WeakPolarHBondContact CB-CD2 3.27Å; I89-H162 WeakPolarHBondContact CB-NE2 3.2Å; I89-H162 WeakPolarHBondContact CG2-NE2 3.38Å; I89-V165 HydrophobicContact CD1-CB 3.92Å; I89-V165 HydrophobicContact CD1-CG1 3.53Å; I89-I166 HydrophobicContact CB-CD1 4.26Å; I89-I166 HydrophobicContact CB-CG1 4.39Å; I89-I166 HydrophobicContact CD1-CD1 4.5Å; I89-I166 HydrophobicContact CD1-CG1 3.82Å
90	V	88.5	Confident	77	Confident	15 Å²	15	69.3 Å²	69.3	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-67.1	-43.8	178.5	-173.3	0	0	0	0	108.3	L66 I69 E86 S87 A92 L93 K94	L66-V90 HydrophobicContact CD2-CG1 4.32Å; I69-V90 HydrophobicContact CD1-CG2 4.1Å; I69-V90 HydrophobicContact CG2-CG1 4.3Å; I69-V90 HydrophobicContact CG2-CG2 3.93Å; E86-V90 HydrophobicContact CG-CB 3.76Å; E86-V90 HydrophobicContact CG-CG1 3.98Å; E86-V90 WeakPolarHBondContact OE1-CB 3.45Å; E86-V90 WeakPolarHBondContact OE1-CG1 3.39Å; S87-V90 PolarHBondContact O-N 3.42Å; S87-V90 VanDerWaalsContact OG-CG2 3.28Å; S87-V90 WeakPolarHBondContact OG-CG2 3.44Å; V90-A92 PolarHBondContact O-N 2.83Å; V90-L93 PolarHBondContact O-N 2.68Å; V90-K94 WeakPolarHBondContact O-CB 3.41Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.22Å
91	C	91.1	Very high	79.6	Confident	62 Å²	62	69.6 Å²	69.6	42%	0.419	38%	0.379	S	S	.	.	H	α-helix	trans	-59.2	-45.1	173.3	-177.6	0	0	0	0	111.8	E86 S87 I89 K94 R95	E86-C91 PolarHBondContact OE1-N 3.46Å; S87-C91 PolarHBondContact O-N 3.18Å; I89-C91 VanDerWaalsContact C-N 3.33Å; C91-K94 PolarHBondContact O-N 3.06Å; C91-R95 WeakPolarHBondContact O-CG 3.45Å; C91-R95 PolarHBondContact O-N 3.24Å
92	A	93.6	Very high	82.3	Confident	3 Å²	3	62 Å²	62	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-46	176.3	0	0	0	0	0	112.3	D88 I89 V90 K94 R95 L96 I166 I169	D88-A92 WeakPolarHBondContact O-CB 3.43Å; D88-A92 PolarHBondContact O-N 3.16Å; I89-A92 PolarHBondContact O-N 3.21Å; V90-A92 PolarHBondContact O-N 2.83Å; A92-K94 VanDerWaalsContact C-N 3.35Å; A92-K94 PolarHBondContact O-N 3.44Å; A92-R95 WeakPolarHBondContact O-CB 3.42Å; A92-R95 PolarHBondContact O-N 3.28Å; A92-L96 PolarHBondContact O-N 3.07Å; A92-I166 HydrophobicContact CB-CG1 4.01Å; A92-I166 HydrophobicContact CB-CG2 4.44Å; A92-I169 HydrophobicContact CB-CD1 3.86Å; A92-I169 HydrophobicContact CB-CG2 4.25Å; A92-I169 WeakPolarHBondContact O-CG2 3.27Å
93	L	94	Very high	85	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-39	177.2	-72.3	171.6	0	0	0	111.7	C62 L66 I69 I89 V90 R95 L96 H97 I146 I169	C62-L93 PolarHBondContact SG-O 3.38Å; L66-L93 HydrophobicContact CD2-CB 3.81Å; L66-L93 HydrophobicContact CG-CB 4.14Å; I69-L93 HydrophobicContact CD1-CD1 3.98Å; I89-L93 HydrophobicContact CD1-CD1 4.49Å; I89-L93 HydrophobicContact CD1-CG 4.29Å; I89-L93 HydrophobicContact CG1-CD1 4.01Å; I89-L93 HydrophobicContact CG1-CG 4.26Å; I89-L93 WeakPolarHBondContact O-CB 3.47Å; I89-L93 VanDerWaalsContact O-CG 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.25Å; I89-L93 PolarHBondContact O-N 2.62Å; V90-L93 PolarHBondContact O-N 2.68Å; L93-R95 PolarHBondContact O-N 2.89Å; L93-L96 PolarHBondContact O-N 2.96Å; L93-H97 WeakPolarHBondContact O-CB 3.48Å; L93-H97 PolarHBondContact O-N 3.44Å; L93-I146 HydrophobicContact CD2-CD1 4.39Å; L93-I169 HydrophobicContact CD2-CD1 4.18Å
94	K	95	Very high	87.6	Confident	92 Å²	92	57.7 Å²	57.7	40%	0.4	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-42.3	173	-75.6	179.9	-177.6	170.7	0	111.8	L66 E86 V90 C91 A92 H97 A98	L66-K94 HydrophobicContact CD2-CG 4.02Å; E86-K94 WeakPolarHBondContact OE1-CD 3.48Å; E86-K94 WeakPolarHBondContact OE1-CE 3.41Å; E86-K94 IonicContact OE1-NZ 3.35Å; E86-K94 PolarHBondContact OE1-NZ 3.33Å; E86-K94 IonicContact OE2-NZ 3.03Å; E86-K94 PolarHBondContact OE2-NZ 3.04Å; V90-K94 WeakPolarHBondContact O-CB 3.41Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.22Å; C91-K94 PolarHBondContact O-N 3.06Å; A92-K94 VanDerWaalsContact C-N 3.35Å; A92-K94 PolarHBondContact O-N 3.44Å; K94-H97 PolarHBondContact O-N 2.97Å; K94-A98 WeakPolarHBondContact O-CB 3.42Å; K94-A98 PolarHBondContact O-N 2.99Å
95	R	97.1	Very high	90	Very high	90 Å²	90	51 Å²	51	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-43	174.9	-72.4	170.9	62.5	-150.7	-1.7	112	C91 A92 L93 A98 L99 N170 M173	C91-R95 WeakPolarHBondContact O-CG 3.45Å; C91-R95 PolarHBondContact O-N 3.24Å; A92-R95 WeakPolarHBondContact O-CB 3.42Å; A92-R95 PolarHBondContact O-N 3.28Å; L93-R95 PolarHBondContact O-N 2.89Å; R95-A98 PolarHBondContact O-N 3.02Å; R95-L99 PolarHBondContact O-N 3.06Å; R95-N170 PolarHBondContact NH1-OD1 3.45Å; R95-M173 HydrophobicContact CB-SD 4.46Å
96	L	97.4	Very high	92.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-46	174.4	178.3	63.3	0	0	0	111.4	L58 C62 A92 L93 A98 L99 L100 L142 I146 I169 L172	L58-L96 HydrophobicContact CD1-CD2 4.18Å; L58-L96 HydrophobicContact CD2-CD1 4.02Å; L58-L96 HydrophobicContact CD2-CD2 4.47Å; L58-L96 HydrophobicContact CG-CD1 4.5Å; L58-L96 HydrophobicContact CG-CD2 4.19Å; C62-L96 HydrophobicContact CB-CD2 4.1Å; A92-L96 PolarHBondContact O-N 3.07Å; L93-L96 PolarHBondContact O-N 2.96Å; L96-A98 VanDerWaalsContact C-N 3.35Å; L96-A98 PolarHBondContact O-N 3.28Å; L96-L99 PolarHBondContact O-N 3.32Å; L96-L100 HydrophobicContact CD1-CD1 3.89Å; L96-L100 HydrophobicContact CD1-CG 4.18Å; L96-L100 HydrophobicContact CG-CD1 3.86Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.93Å; L96-L142 HydrophobicContact CD1-CD2 4.1Å; L96-L142 HydrophobicContact CD2-CD2 4.1Å; L96-I146 HydrophobicContact CD2-CD1 3.91Å; L96-I169 HydrophobicContact CB-CD1 4.09Å; L96-I169 HydrophobicContact CB-CG1 4.17Å; L96-I169 HydrophobicContact CB-CG2 4.19Å; L96-I169 HydrophobicContact CD2-CD1 4.08Å; L96-I169 HydrophobicContact CD2-CG1 4.07Å; L96-L172 HydrophobicContact CD1-CD2 3.87Å
97	H	96.4	Very high	93.8	Very high	49 Å²	49	46.7 Å²	46.7	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-43.6	177	-176.3	58.9	0	0	0	111.8	H59 L66 L93 K94 L100 N101	H59-H97 AromaticContact CD2-CE1 3.84Å; H59-H97 AromaticContact CD2-ND1 3.4Å; H59-H97 PolarHBondContact CD2-ND1 3.07Å; H59-H97 AromaticContact NE2-CE1 3.09Å; H59-H97 PolarHBondContact NE2-CE1 3.27Å; H59-H97 AromaticContact NE2-ND1 3.08Å; H59-H97 PolarHBondContact NE2-ND1 3.16Å; L66-H97 HydrophobicContact CD1-CB 3.83Å; L93-H97 WeakPolarHBondContact O-CB 3.48Å; L93-H97 PolarHBondContact O-N 3.44Å; K94-H97 PolarHBondContact O-N 2.97Å; H97-L100 PolarHBondContact O-N 2.9Å; H97-N101 PolarHBondContact CE1-ND2 3.25Å; H97-N101 PolarHBondContact NE2-ND2 3.26Å; H97-N101 VanDerWaalsContact NE2-ND2 3.15Å; H97-N101 WeakPolarHBondContact O-CB 3.49Å; H97-N101 PolarHBondContact O-N 2.85Å; H97-N101 PolarHBondContact O-ND2 3.49Å
98	A	97.4	Very high	94.7	Very high	60 Å²	60	44 Å²	44	50%	0.496	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-43.1	175.6	0	0	0	0	0	112.2	K94 R95 L96 L100 N101 S102	K94-A98 WeakPolarHBondContact O-CB 3.42Å; K94-A98 PolarHBondContact O-N 2.99Å; R95-A98 PolarHBondContact O-N 3.02Å; L96-A98 VanDerWaalsContact C-N 3.35Å; L96-A98 PolarHBondContact O-N 3.28Å; A98-L100 PolarHBondContact O-N 2.93Å; A98-N101 PolarHBondContact O-N 3.26Å; A98-S102 PolarHBondContact O-N 3.19Å; A98-S102 VanDerWaalsContact O-N 3.13Å
99	L	97.9	Very high	95.3	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-46.1	175.4	177.9	66.8	0	0	0	111.4	R95 L96 N101 S102 F104 L172 M173	R95-L99 PolarHBondContact O-N 3.06Å; L96-L99 PolarHBondContact O-N 3.32Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.43Å; L99-S102 WeakPolarHBondContact O-CB 3.35Å; L99-S102 PolarHBondContact O-N 2.87Å; L99-S102 VanDerWaalsContact O-N 3.08Å; L99-S102 PolarHBondContact O-OG 3.09Å; L99-F104 HydrophobicContact CD1-CB 4.12Å; L99-F104 HydrophobicContact CD1-CD2 3.89Å; L99-F104 HydrophobicContact CD1-CG 4.13Å; L99-F104 HydrophobicContact CD2-CD2 4.37Å; L99-F104 HydrophobicContact CD2-CE2 4.41Å; L99-F104 HydrophobicContact CG-CB 4.33Å; L99-F104 HydrophobicContact CG-CD2 4.2Å; L99-F104 HydrophobicContact CG-CG 4.15Å; L99-F104 WeakPolarHBondContact O-CB 3.28Å; L99-L172 HydrophobicContact CD2-CD2 4.24Å; L99-L172 HydrophobicContact CD2-CG 4Å; L99-M173 HydrophobicContact CB-CE 4.45Å; L99-M173 HydrophobicContact CB-SD 3.85Å; L99-M173 HydrophobicContact CD2-SD 3.77Å; L99-M173 HydrophobicContact CG-SD 4.25Å
100	L	96.4	Very high	95.7	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-70.8	-21.3	-178.2	-65.6	170.2	0	0	0	113.3	C55 L58 H59 L96 H97 A98 F104	C55-L100 HydrophobicContact CB-CD2 4.17Å; L58-L100 HydrophobicContact CB-CD1 4.3Å; L58-L100 HydrophobicContact CD2-CD1 4.19Å; L58-L100 HydrophobicContact CD2-CD2 4.47Å; L58-L100 HydrophobicContact CG-CD1 3.96Å; H59-L100 HydrophobicContact CB-CB 4.14Å; H59-L100 HydrophobicContact CB-CD1 3.8Å; H59-L100 HydrophobicContact CB-CG 4.5Å; L96-L100 HydrophobicContact CD1-CD1 3.89Å; L96-L100 HydrophobicContact CD1-CG 4.18Å; L96-L100 HydrophobicContact CG-CD1 3.86Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.93Å; H97-L100 PolarHBondContact O-N 2.9Å; A98-L100 PolarHBondContact O-N 2.93Å; L100-F104 HydrophobicContact CD2-CD1 4.2Å; L100-F104 HydrophobicContact CD2-CE1 4.45Å
101	N	95.5	Very high	96.2	Very high	99 Å²	99	46.2 Å²	46.2	53%	0.529	25%	0.247	S	C	.	.	H	α-helix	trans	-85.7	-9.7	170.5	-78.6	-34.6	0	0	0	114	H59 H97 A98 L99	H59-N101 PolarHBondContact CE1-OD1 3.21Å; H59-N101 PolarHBondContact NE2-OD1 3.33Å; H97-N101 PolarHBondContact CE1-ND2 3.25Å; H97-N101 PolarHBondContact NE2-ND2 3.26Å; H97-N101 VanDerWaalsContact NE2-ND2 3.15Å; H97-N101 WeakPolarHBondContact O-CB 3.49Å; H97-N101 PolarHBondContact O-N 2.85Å; H97-N101 PolarHBondContact O-ND2 3.49Å; A98-N101 PolarHBondContact O-N 3.26Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.43Å
102	S	95.8	Very high	96.5	Very high	53 Å²	53	43.7 Å²	43.7	37%	0.371	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-174.1	176.1	79.2	0	0	0	0	111.8	A98 L99 F104	A98-S102 PolarHBondContact O-N 3.19Å; A98-S102 VanDerWaalsContact O-N 3.13Å; L99-S102 WeakPolarHBondContact O-CB 3.35Å; L99-S102 PolarHBondContact O-N 2.87Å; L99-S102 VanDerWaalsContact O-N 3.08Å; L99-S102 PolarHBondContact O-OG 3.09Å; S102-F104 PolarHBondContact O-N 2.83Å; S102-F104 PolarHBondContact OG-N 2.86Å
103	D	94.5	Very high	96.5	Very high	110 Å²	110	46.9 Å²	46.9	59%	0.588	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	10.8	174	-65.2	-40.7	0	0	0	114.7	S105 S106 R107	D103-S105 VanDerWaalsContact C-N 3.34Å; D103-S105 PolarHBondContact O-N 3.49Å; D103-S106 WeakPolarHBondContact O-CB 3.38Å; D103-S106 PolarHBondContact O-N 2.93Å; D103-S106 VanDerWaalsContact O-N 3.08Å; D103-R107 WeakPolarHBondContact O-CB 3.45Å; D103-R107 PolarHBondContact O-N 3.06Å
104	F	97	Very high	96.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-51.1	-48.3	-179.3	-177.3	-110.1	0	0	0	113.2	L99 L100 S102 R107 I108 T135 L172 L179	L99-F104 HydrophobicContact CD1-CB 4.12Å; L99-F104 HydrophobicContact CD1-CD2 3.89Å; L99-F104 HydrophobicContact CD1-CG 4.13Å; L99-F104 HydrophobicContact CD2-CD2 4.37Å; L99-F104 HydrophobicContact CD2-CE2 4.41Å; L99-F104 HydrophobicContact CG-CB 4.33Å; L99-F104 HydrophobicContact CG-CD2 4.2Å; L99-F104 HydrophobicContact CG-CG 4.15Å; L99-F104 WeakPolarHBondContact O-CB 3.28Å; L100-F104 HydrophobicContact CD2-CD1 4.2Å; L100-F104 HydrophobicContact CD2-CE1 4.45Å; S102-F104 PolarHBondContact O-N 2.83Å; S102-F104 PolarHBondContact OG-N 2.86Å; F104-R107 PolarHBondContact O-N 3.27Å; F104-I108 HydrophobicContact CD1-CD1 3.93Å; F104-I108 HydrophobicContact CE1-CD1 3.52Å; F104-I108 HydrophobicContact CE2-CD1 4.31Å; F104-I108 HydrophobicContact CG-CD1 4.48Å; F104-I108 HydrophobicContact CZ-CD1 3.74Å; F104-I108 WeakPolarHBondContact O-CG1 3.25Å; F104-I108 PolarHBondContact O-N 2.88Å; F104-T135 HydrophobicContact CE2-CG2 4.32Å; F104-T135 HydrophobicContact CZ-CG2 3.71Å; F104-L172 HydrophobicContact CZ-CD1 3.95Å; F104-L179 HydrophobicContact CE2-CD1 3.97Å
105	S	95.7	Very high	96.6	Very high	26 Å²	26	43.3 Å²	43.3	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-37.4	178.4	-67	0	0	0	0	112.5	D103 R107 I108 K109	D103-S105 VanDerWaalsContact C-N 3.34Å; D103-S105 PolarHBondContact O-N 3.49Å; S105-R107 VanDerWaalsContact C-N 3.33Å; S105-I108 PolarHBondContact O-N 2.79Å; S105-K109 WeakPolarHBondContact O-CG 3.5Å; S105-K109 PolarHBondContact O-N 3.29Å; S105-K109 VanDerWaalsContact O-N 3.1Å
106	S	97	Very high	96.4	Very high	67 Å²	67	40.4 Å²	40.4	47%	0.469	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-39.4	176.4	-60	0	0	0	0	111.2	D103 K109 H110	D103-S106 WeakPolarHBondContact O-CB 3.38Å; D103-S106 PolarHBondContact O-N 2.93Å; D103-S106 VanDerWaalsContact O-N 3.08Å; S106-K109 WeakPolarHBondContact O-CB 3.36Å; S106-K109 PolarHBondContact O-N 2.79Å; S106-H110 PolarHBondContact O-N 2.95Å
107	R	97.4	Very high	96.1	Very high	47 Å²	47	47.9 Å²	47.9	18%	0.177	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-43.1	176	-169.3	176.6	-60.9	136.6	7.1	112.2	D103 F104 S105 K109 H110 L111 S176 L179	D103-R107 WeakPolarHBondContact O-CB 3.45Å; D103-R107 PolarHBondContact O-N 3.06Å; F104-R107 PolarHBondContact O-N 3.27Å; S105-R107 VanDerWaalsContact C-N 3.33Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.62Å; R107-H110 PolarHBondContact O-N 3Å; R107-L111 HydrophobicContact CG-CD1 4.49Å; R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 3.31Å; R107-S176 PolarHBondContact NH1-O 3.1Å; R107-L179 WeakPolarHBondContact CD-O 3.12Å; R107-L179 HydrophobicContact CG-CB 4.47Å
108	I	97.4	Very high	96	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-57.5	-47.9	172.9	-72.5	166.4	0	0	0	110.6	M51 F104 S105 H110 L111 Y112 L132 L179	M51-I108 HydrophobicContact CB-CG2 4.22Å; M51-I108 HydrophobicContact CE-CD1 3.71Å; M51-I108 HydrophobicContact CG-CD1 4Å; M51-I108 HydrophobicContact CG-CG2 3.7Å; F104-I108 HydrophobicContact CD1-CD1 3.93Å; F104-I108 HydrophobicContact CE1-CD1 3.52Å; F104-I108 HydrophobicContact CE2-CD1 4.31Å; F104-I108 HydrophobicContact CG-CD1 4.48Å; F104-I108 HydrophobicContact CZ-CD1 3.74Å; F104-I108 WeakPolarHBondContact O-CG1 3.25Å; F104-I108 PolarHBondContact O-N 2.88Å; S105-I108 PolarHBondContact O-N 2.79Å; I108-H110 VanDerWaalsContact C-N 3.32Å; I108-H110 PolarHBondContact O-N 2.85Å; I108-L111 PolarHBondContact O-N 2.83Å; I108-Y112 HydrophobicContact CG2-CD2 3.76Å; I108-Y112 HydrophobicContact CG2-CE2 3.74Å; I108-Y112 VanDerWaalsContact O-CD2 3.32Å; I108-Y112 WeakPolarHBondContact O-CD2 3.35Å; I108-Y112 PolarHBondContact O-N 2.94Å; I108-L132 HydrophobicContact CG2-CD2 4.35Å; I108-L179 HydrophobicContact CG1-CD1 4.02Å
109	K	97.7	Very high	95.8	Very high	107 Å²	107	44.1 Å²	44.1	47%	0.465	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-44.8	177.3	-69.8	171.1	-178	179.3	0	111.8	V52 S105 S106 R107 Y112 S113	V52-K109 HydrophobicContact CG2-CD 4.5Å; V52-K109 HydrophobicContact CG2-CG 4.07Å; S105-K109 WeakPolarHBondContact O-CG 3.5Å; S105-K109 PolarHBondContact O-N 3.29Å; S105-K109 VanDerWaalsContact O-N 3.1Å; S106-K109 WeakPolarHBondContact O-CB 3.36Å; S106-K109 PolarHBondContact O-N 2.79Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.62Å; K109-Y112 PolarHBondContact O-N 3Å; K109-S113 PolarHBondContact O-N 3.02Å
110	H	97.4	Very high	95.5	Very high	79 Å²	79	44.9 Å²	44.9	37%	0.366	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-47.2	177	175.3	57.5	0	0	0	111.8	S106 R107 I108 Y112 S113 I114	S106-H110 PolarHBondContact O-N 2.95Å; R107-H110 PolarHBondContact O-N 3Å; I108-H110 VanDerWaalsContact C-N 3.32Å; I108-H110 PolarHBondContact O-N 2.85Å; H110-Y112 PolarHBondContact O-N 2.99Å; H110-S113 WeakPolarHBondContact O-CA 3.34Å; H110-S113 WeakPolarHBondContact O-CB 3.41Å; H110-S113 PolarHBondContact O-N 3.03Å; H110-S113 PolarHBondContact O-OG 3.15Å; H110-I114 PolarHBondContact O-N 2.85Å
111	L	97.8	Very high	95.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-41.4	178.2	-71.4	175.5	0	0	0	112.6	R107 I108 S113 I114 A115 I128 L132 L179 L182	R107-L111 HydrophobicContact CG-CD1 4.49Å; R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 3.31Å; I108-L111 PolarHBondContact O-N 2.83Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.17Å; L111-I114 HydrophobicContact CD2-CD1 4.17Å; L111-I114 WeakPolarHBondContact O-CG1 3.34Å; L111-I114 PolarHBondContact O-N 3.07Å; L111-A115 WeakPolarHBondContact O-CB 3.31Å; L111-A115 PolarHBondContact O-N 3.2Å; L111-I128 HydrophobicContact CB-CG2 4.05Å; L111-I128 HydrophobicContact CD2-CG2 4.04Å; L111-L132 HydrophobicContact CB-CD1 4.26Å; L111-L132 HydrophobicContact CB-CD2 3.96Å; L111-L132 HydrophobicContact CB-CG 4.4Å; L111-L132 HydrophobicContact CD1-CD2 4.29Å; L111-L179 HydrophobicContact CD1-CB 3.89Å; L111-L179 HydrophobicContact CD1-CD1 4.49Å; L111-L179 HydrophobicContact CD1-CD2 3.67Å; L111-L179 HydrophobicContact CD1-CG 4.19Å; L111-L182 HydrophobicContact CD2-CB 3.97Å
112	Y	97.3	Very high	94.7	Very high	10 Å²	10	43.1 Å²	43.1	4%	0.039	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-37.2	171.9	-85.5	-73.7	0	0	0	112.3	D44 E47 C48 M51 I108 K109 H110 I114 L132 M136	D44-Y112 HydrophobicContact CB-CD1 4.47Å; E47-Y112 HydrophobicContact CB-CE1 3.66Å; C48-Y112 HydrophobicContact CB-CD1 4.25Å; C48-Y112 HydrophobicContact CB-CD2 3.63Å; C48-Y112 HydrophobicContact CB-CE2 4.16Å; C48-Y112 HydrophobicContact CB-CG 3.69Å; M51-Y112 HydrophobicContact CB-CE2 4.28Å; I108-Y112 HydrophobicContact CG2-CD2 3.76Å; I108-Y112 HydrophobicContact CG2-CE2 3.74Å; I108-Y112 VanDerWaalsContact O-CD2 3.32Å; I108-Y112 WeakPolarHBondContact O-CD2 3.35Å; I108-Y112 PolarHBondContact O-N 2.94Å; K109-Y112 PolarHBondContact O-N 3Å; H110-Y112 PolarHBondContact O-N 2.99Å; Y112-I114 VanDerWaalsContact C-N 3.26Å; Y112-I114 PolarHBondContact O-N 2.79Å; Y112-L132 HydrophobicContact CD1-CD1 3.93Å; Y112-L132 HydrophobicContact CD2-CD1 4.07Å; Y112-L132 HydrophobicContact CD2-CD2 4.03Å; Y112-L132 HydrophobicContact CE1-CD1 3.94Å; Y112-L132 HydrophobicContact CE2-CD1 4.09Å; Y112-L132 HydrophobicContact CE2-CD2 3.82Å; Y112-L132 HydrophobicContact CE2-CG 4.37Å; Y112-L132 HydrophobicContact CG-CD1 3.99Å; Y112-M136 WeakPolarHBondContact OH-CE 3.33Å
113	S	94.9	Very high	94.5	Very high	70 Å²	70	41.8 Å²	41.8	49%	0.49	23%	0.231	S	C	.	.	H	α-helix	trans	-68.3	-22.3	179.6	75.2	0	0	0	0	114.2	K109 H110 L111 Y117	K109-S113 PolarHBondContact O-N 3.02Å; H110-S113 WeakPolarHBondContact O-CA 3.34Å; H110-S113 WeakPolarHBondContact O-CB 3.41Å; H110-S113 PolarHBondContact O-N 3.03Å; H110-S113 PolarHBondContact O-OG 3.15Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.17Å; S113-Y117 WeakPolarHBondContact O-CE2 3.31Å
114	I	94.4	Very high	94.4	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.087	21%	0.214	C	C	.	.	H	α-helix	trans	-106.4	-20.3	-179.5	66	167.7	0	0	0	113.5	H110 L111 Y112 G116 Y117 Y118 I128 P186	H110-I114 PolarHBondContact O-N 2.85Å; L111-I114 HydrophobicContact CD2-CD1 4.17Å; L111-I114 WeakPolarHBondContact O-CG1 3.34Å; L111-I114 PolarHBondContact O-N 3.07Å; Y112-I114 VanDerWaalsContact C-N 3.26Å; Y112-I114 PolarHBondContact O-N 2.79Å; I114-G116 PolarHBondContact O-N 3.23Å; I114-Y117 HydrophobicContact CB-CD2 4.12Å; I114-Y117 HydrophobicContact CB-CE2 4.42Å; I114-Y117 HydrophobicContact CG2-CD2 4.45Å; I114-Y117 HydrophobicContact CG2-CE2 4.34Å; I114-Y117 WeakPolarHBondContact O-CB 3.38Å; I114-Y117 WeakPolarHBondContact O-CD2 3.27Å; I114-Y117 PolarHBondContact O-N 2.87Å; I114-Y117 VanDerWaalsContact O-N 3.09Å; I114-Y118 HydrophobicContact CB-CE2 4.41Å; I114-Y118 VanDerWaalsContact O-CD2 3.27Å; I114-Y118 WeakPolarHBondContact O-CD2 3.45Å; I114-Y118 WeakPolarHBondContact O-CE2 3.32Å; I114-I128 HydrophobicContact CD1-CD1 4.16Å; I114-I128 HydrophobicContact CG1-CD1 4.37Å; I114-P186 HydrophobicContact CD1-CG 3.64Å
115	A	95.3	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-37.4	-173.5	0	0	0	0	0	112.8	L111 Y117 Y118 N126 I128 R129	L111-A115 WeakPolarHBondContact O-CB 3.31Å; L111-A115 PolarHBondContact O-N 3.2Å; A115-Y117 PolarHBondContact O-N 2.86Å; A115-Y118 PolarHBondContact O-N 3.18Å; A115-N126 PolarHBondContact O-ND2 3.29Å; A115-I128 HydrophobicContact CB-CG2 4.15Å; A115-R129 HydrophobicContact CB-CG 4.09Å
116	G	92.9	Very high	94.4	Very high	28 Å²	28	38.3 Å²	38.3	29%	0.289	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.8	-27.5	179.5	0	0	0	0	0	114.4	I114 Y118 D119	I114-G116 PolarHBondContact O-N 3.23Å; G116-Y118 PolarHBondContact O-N 2.79Å; G116-D119 PolarHBondContact O-N 3.29Å
117	Y	92.3	Very high	94.4	Very high	158 Å²	158	35.1 Å²	35.1	62%	0.62	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-69.5	-14	179.4	-56.8	-45.6	0	0	0	113.7	S113 I114 A115	S113-Y117 WeakPolarHBondContact O-CE2 3.31Å; I114-Y117 HydrophobicContact CB-CD2 4.12Å; I114-Y117 HydrophobicContact CB-CE2 4.42Å; I114-Y117 HydrophobicContact CG2-CD2 4.45Å; I114-Y117 HydrophobicContact CG2-CE2 4.34Å; I114-Y117 WeakPolarHBondContact O-CB 3.38Å; I114-Y117 WeakPolarHBondContact O-CD2 3.27Å; I114-Y117 PolarHBondContact O-N 2.87Å; I114-Y117 VanDerWaalsContact O-N 3.09Å; A115-Y117 PolarHBondContact O-N 2.86Å
118	Y	93.7	Very high	94.4	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.063	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-110.1	-0.1	-176.3	-56.2	-72.8	0	0	0	113.5	I114 A115 G116 I128 P186 T193 L194 K817	I114-Y118 HydrophobicContact CB-CE2 4.41Å; I114-Y118 VanDerWaalsContact O-CD2 3.27Å; I114-Y118 WeakPolarHBondContact O-CD2 3.45Å; I114-Y118 WeakPolarHBondContact O-CE2 3.32Å; A115-Y118 PolarHBondContact O-N 3.18Å; G116-Y118 PolarHBondContact O-N 2.79Å; Y118-I128 HydrophobicContact CD2-CD1 3.88Å; Y118-I128 HydrophobicContact CE2-CD1 4.04Å; Y118-P186 VanDerWaalsContact OH-CB 3.28Å; Y118-P186 WeakPolarHBondContact OH-CB 3.25Å; Y118-P186 WeakPolarHBondContact OH-CG 3.35Å; Y118-T193 WeakPolarHBondContact CE1-O 3.42Å; Y118-L194 HydrophobicContact CD1-CD1 4.36Å; Y118-L194 HydrophobicContact CD1-CD2 3.52Å; Y118-L194 HydrophobicContact CD1-CG 3.53Å; Y118-L194 HydrophobicContact CD2-CD2 3.87Å; Y118-L194 HydrophobicContact CD2-CG 4.41Å; Y118-L194 HydrophobicContact CE1-CD2 3.62Å; Y118-L194 HydrophobicContact CE1-CG 4.09Å; Y118-L194 HydrophobicContact CE2-CD2 3.97Å; Y118-L194 HydrophobicContact CG-CD1 4.06Å; Y118-L194 HydrophobicContact CG-CD2 3.63Å; Y118-L194 HydrophobicContact CG-CG 3.7Å; Y118-K817 PolarHBondContact O-NZ 3.37Å
119	D	93.6	Very high	94.3	Very high	14 Å²	14	33.3 Å²	33.3	8%	0.075	18%	0.178	C	C	.	.			trans	-64.9	153.9	174.8	-75.7	-16.2	0	0	0	111.8	G116 L123 A125 N126 R129 K817	G116-D119 PolarHBondContact O-N 3.29Å; D119-L123 WeakPolarHBondContact CB-O 3.3Å; D119-A125 PolarHBondContact OD1-N 2.62Å; D119-N126 PolarHBondContact OD1-ND2 2.94Å; D119-R129 IonicContact OD1-CZ 2.94Å; D119-R129 IonicContact OD1-NE 3.42Å; D119-R129 PolarHBondContact OD1-NE 2.72Å; D119-R129 IonicContact OD1-NH2 2.75Å; D119-R129 IonicContact OD2-CZ 2.87Å; D119-R129 IonicContact OD2-NE 3.95Å; D119-R129 PolarHBondContact OD2-NE 3.19Å; D119-R129 IonicContact OD2-NH2 3.29Å; D119-R129 PolarHBondContact OD2-NH2 3.39Å; D119-K817 WeakPolarHBondContact O-CE 3.05Å
120	F	91.7	Very high	94.3	Very high	27 Å²	27	28.2 Å²	28.2	12%	0.118	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-101.2	117	170.8	174.3	-102.1	0	0	0	110.4	S122 L123 L813 A816 K817 V826 I828	F120-S122 PolarHBondContact O-N 3.39Å; F120-L123 HydrophobicContact CD1-CD1 4.03Å; F120-L123 VanDerWaalsContact O-CB 3.29Å; F120-L123 WeakPolarHBondContact O-CB 3.33Å; F120-L123 PolarHBondContact O-N 3.05Å; F120-L813 HydrophobicContact CB-CD2 3.94Å; F120-A816 HydrophobicContact CD2-CB 4.41Å; F120-A816 HydrophobicContact CE1-CB 4.5Å; F120-A816 HydrophobicContact CE2-CB 4.21Å; F120-A816 HydrophobicContact CZ-CB 4.25Å; F120-K817 HydrophobicContact CB-CG 4.46Å; F120-K817 HydrophobicContact CD2-CB 4.33Å; F120-K817 HydrophobicContact CD2-CG 3.52Å; F120-K817 HydrophobicContact CE2-CG 4.26Å; F120-K817 HydrophobicContact CG-CG 4.44Å; F120-V826 HydrophobicContact CZ-CG1 4.44Å; F120-I828 HydrophobicContact CD1-CG2 3.34Å; F120-I828 HydrophobicContact CE1-CG2 3.31Å; F120-I828 HydrophobicContact CG-CG2 4.31Å; F120-I828 HydrophobicContact CZ-CG2 4.27Å
121	G	87.7	Confident	94.4	Very high	50 Å²	50	24.4 Å²	24.4	52%	0.515	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-124.9	-179.9	0	0	0	0	0	110.6	K40	K40-G121 VanDerWaalsContact CE-O 3.26Å; K40-G121 WeakPolarHBondContact CE-O 3.37Å; K40-G121 PolarHBondContact NZ-O 3.19Å
122	S	86.7	Confident	94.4	Very high	26 Å²	26	24.6 Å²	24.6	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	2.7	176.3	70.3	0	0	0	0	115	F29 F120 R124	F29-S122 WeakPolarHBondContact CE1-OG 3.39Å; F120-S122 PolarHBondContact O-N 3.39Å; S122-R124 PolarHBondContact O-N 3.31Å
123	L	91.9	Very high	94.3	Very high	24 Å²	24	25.7 Å²	25.7	13%	0.126	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-76	116	178.6	-65.5	176.6	0	0	0	110.5	F29 D119 F120 A125 I828 V830	F29-L123 HydrophobicContact CZ-CD1 4.47Å; F29-L123 HydrophobicContact CZ-CD2 4.06Å; F29-L123 HydrophobicContact CZ-CG 4.02Å; D119-L123 WeakPolarHBondContact CB-O 3.3Å; F120-L123 HydrophobicContact CD1-CD1 4.03Å; F120-L123 VanDerWaalsContact O-CB 3.29Å; F120-L123 WeakPolarHBondContact O-CB 3.33Å; F120-L123 PolarHBondContact O-N 3.05Å; L123-A125 PolarHBondContact O-N 2.96Å; L123-I828 HydrophobicContact CD1-CG2 3.8Å; L123-V830 HydrophobicContact CD1-CG2 4.48Å
124	R	93.8	Very high	94.5	Very high	59 Å²	59	22.3 Å²	22.3	22%	0.223	12%	0.123	C	C	.	.			trans	-80.7	65.3	170.5	-68.9	177.2	67	-122.3	2.4	110	K40 D44 E47 S122 R129	K40-R124 HydrophobicContact CB-CG 4.33Å; K40-R124 HydrophobicContact CD-CG 4.28Å; K40-R124 HydrophobicContact CG-CG 3.8Å; D44-R124 IonicContact OD1-CZ 3.87Å; D44-R124 VanDerWaalsContact OD1-CZ 3.25Å; D44-R124 IonicContact OD1-NE 3.8Å; D44-R124 PolarHBondContact OD1-NE 3.14Å; D44-R124 IonicContact OD1-NH2 3Å; D44-R124 PolarHBondContact OD1-NH2 2.81Å; E47-R124 IonicContact OE1-CZ 2.85Å; E47-R124 IonicContact OE1-NH1 3.79Å; E47-R124 PolarHBondContact OE1-NH1 2.84Å; E47-R124 IonicContact OE1-NH2 2.79Å; E47-R124 PolarHBondContact OE1-NH2 2.94Å; E47-R124 IonicContact OE2-CZ 2.72Å; E47-R124 IonicContact OE2-NH1 3.29Å; E47-R124 IonicContact OE2-NH2 3.46Å; E47-R124 PolarHBondContact OE2-NH2 3.44Å; S122-R124 PolarHBondContact O-N 3.31Å; R124-R129 WeakPolarHBondContact O-CD 3.48Å
125	A	95.7	Very high	94.6	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.033	12%	0.119	C	C	.	.			trans	-142.6	130.9	-176.2	0	0	0	0	0	111.5	D119 L123 L813 V830	D119-A125 PolarHBondContact OD1-N 2.62Å; L123-A125 PolarHBondContact O-N 2.96Å; A125-L813 WeakPolarHBondContact O-CD1 3.47Å; A125-V830 HydrophobicContact CB-CB 4.09Å; A125-V830 HydrophobicContact CB-CG1 3.97Å; A125-V830 HydrophobicContact CB-CG2 3.88Å
126	N	96.4	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-174.7	168.4	169.5	56.7	68.2	0	0	0	108.4	A115 D119 I128 R129 S130 L194 L813	A115-N126 PolarHBondContact O-ND2 3.29Å; D119-N126 PolarHBondContact OD1-ND2 2.94Å; N126-I128 VanDerWaalsContact C-N 3.25Å; N126-I128 PolarHBondContact O-N 2.98Å; N126-I128 WeakPolarHBondContact OD1-CA 3.4Å; N126-I128 VanDerWaalsContact OD1-CB 3.25Å; N126-I128 WeakPolarHBondContact OD1-CB 3.16Å; N126-I128 PolarHBondContact OD1-N 3.03Å; N126-R129 WeakPolarHBondContact O-CB 3.29Å; N126-R129 PolarHBondContact O-N 2.96Å; N126-R129 VanDerWaalsContact O-N 3.08Å; N126-R129 PolarHBondContact OD1-N 3.44Å; N126-R129 VanDerWaalsContact OD1-N 3.13Å; N126-S130 PolarHBondContact O-N 3.18Å; N126-S130 VanDerWaalsContact O-N 3.16Å; N126-S130 PolarHBondContact O-OG 2.8Å; N126-L194 HydrophobicContact CB-CD1 4Å; N126-L813 HydrophobicContact CB-CD1 4.15Å
127	G	96.5	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-24.5	-177.5	0	0	0	0	0	115.3	S130 F131 P609 D810	G127-S130 WeakPolarHBondContact O-CB 3.06Å; G127-S130 PolarHBondContact O-N 3.03Å; G127-F131 WeakPolarHBondContact O-CD2 3.33Å; G127-F131 PolarHBondContact O-N 2.84Å; G127-F131 VanDerWaalsContact O-N 3.14Å; G127-P609 VanDerWaalsContact C-CB 3.46Å; G127-D810 PolarHBondContact N-OD1 3.41Å
128	I	97.4	Very high	95.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-46.3	173.1	-59.8	174.3	0	0	0	109.4	L111 I114 A115 Y118 N126 S130 F131 L132 L194 P609	L111-I128 HydrophobicContact CB-CG2 4.05Å; L111-I128 HydrophobicContact CD2-CG2 4.04Å; I114-I128 HydrophobicContact CD1-CD1 4.16Å; I114-I128 HydrophobicContact CG1-CD1 4.37Å; A115-I128 HydrophobicContact CB-CG2 4.15Å; Y118-I128 HydrophobicContact CD2-CD1 3.88Å; Y118-I128 HydrophobicContact CE2-CD1 4.04Å; N126-I128 VanDerWaalsContact C-N 3.25Å; N126-I128 PolarHBondContact O-N 2.98Å; N126-I128 WeakPolarHBondContact OD1-CA 3.4Å; N126-I128 VanDerWaalsContact OD1-CB 3.25Å; N126-I128 WeakPolarHBondContact OD1-CB 3.16Å; N126-I128 PolarHBondContact OD1-N 3.03Å; I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 PolarHBondContact O-N 3.4Å; I128-F131 PolarHBondContact O-N 3.23Å; I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 HydrophobicContact CG2-CG 4.36Å; I128-L132 WeakPolarHBondContact O-CG 3.3Å; I128-L132 PolarHBondContact O-N 3.4Å; I128-L194 HydrophobicContact CD1-CD2 4.07Å; I128-P609 HydrophobicContact CG1-CB 4.09Å; I128-P609 HydrophobicContact CG1-CG 3.94Å
129	R	96.4	Very high	95.4	Very high	9 Å²	9	17.8 Å²	17.8	3%	0.034	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-35.5	176.6	-65	-179	177.5	-72.5	1.2	112	D44 A115 D119 R124 N126 L132 T133	D44-R129 IonicContact OD1-CZ 2.98Å; D44-R129 IonicContact OD1-NH1 2.69Å; D44-R129 PolarHBondContact OD1-NH1 3.03Å; D44-R129 IonicContact OD1-NH2 3.64Å; D44-R129 PolarHBondContact OD1-NH2 2.79Å; D44-R129 VanDerWaalsContact OD1-NH2 3.09Å; D44-R129 IonicContact OD2-CZ 3.57Å; D44-R129 IonicContact OD2-NH1 2.73Å; D44-R129 IonicContact OD2-NH2 3.33Å; D44-R129 PolarHBondContact OD2-NH2 3.36Å; A115-R129 HydrophobicContact CB-CG 4.09Å; D119-R129 IonicContact OD1-CZ 2.94Å; D119-R129 IonicContact OD1-NE 3.42Å; D119-R129 PolarHBondContact OD1-NE 2.72Å; D119-R129 IonicContact OD1-NH2 2.75Å; D119-R129 IonicContact OD2-CZ 2.87Å; D119-R129 IonicContact OD2-NE 3.95Å; D119-R129 PolarHBondContact OD2-NE 3.19Å; D119-R129 IonicContact OD2-NH2 3.29Å; D119-R129 PolarHBondContact OD2-NH2 3.39Å; R124-R129 WeakPolarHBondContact O-CD 3.48Å; N126-R129 WeakPolarHBondContact O-CB 3.29Å; N126-R129 PolarHBondContact O-N 2.96Å; N126-R129 VanDerWaalsContact O-N 3.08Å; N126-R129 PolarHBondContact OD1-N 3.44Å; N126-R129 VanDerWaalsContact OD1-N 3.13Å; R129-L132 PolarHBondContact O-N 3.47Å; R129-T133 WeakPolarHBondContact O-CB 3.46Å; R129-T133 PolarHBondContact O-N 2.87Å; R129-T133 PolarHBondContact O-OG1 3.03Å
130	S	97.5	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-50.6	174.1	-51	0	0	0	0	111	N126 G127 I128 T133 I134 H804	N126-S130 PolarHBondContact O-N 3.18Å; N126-S130 VanDerWaalsContact O-N 3.16Å; N126-S130 PolarHBondContact O-OG 2.8Å; G127-S130 WeakPolarHBondContact O-CB 3.06Å; G127-S130 PolarHBondContact O-N 3.03Å; I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 PolarHBondContact O-N 3.4Å; S130-T133 PolarHBondContact O-N 3.25Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.37Å; S130-I134 PolarHBondContact O-N 2.78Å; S130-H804 VanDerWaalsContact CB-O 3.31Å; S130-H804 WeakPolarHBondContact CB-O 3.39Å; S130-H804 PolarHBondContact OG-ND1 2.87Å; S130-H804 VanDerWaalsContact OG-ND1 3.14Å; S130-H804 PolarHBondContact OG-O 3.31Å
131	F	98	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-37.5	178.6	-87.9	-79.6	0	0	0	113.9	G127 I128 T133 I134 T135 L175 C178 L179 L182 P609 L612 L613	G127-F131 WeakPolarHBondContact O-CD2 3.33Å; G127-F131 PolarHBondContact O-N 2.84Å; G127-F131 VanDerWaalsContact O-N 3.14Å; I128-F131 PolarHBondContact O-N 3.23Å; F131-T133 VanDerWaalsContact C-N 3.3Å; F131-T133 PolarHBondContact O-N 3.46Å; F131-I134 PolarHBondContact O-N 3.32Å; F131-T135 WeakPolarHBondContact O-CB 3.45Å; F131-T135 PolarHBondContact O-N 2.87Å; F131-T135 PolarHBondContact O-OG1 3.33Å; F131-L175 HydrophobicContact CD1-CD2 4.1Å; F131-L175 HydrophobicContact CE1-CD2 4.24Å; F131-C178 HydrophobicContact CD1-CB 3.72Å; F131-C178 HydrophobicContact CE1-CB 3.44Å; F131-C178 VanDerWaalsContact CE1-CB 3.44Å; F131-C178 VanDerWaalsContact CE1-SG 3.58Å; F131-C178 HydrophobicContact CZ-CB 4.16Å; F131-L179 HydrophobicContact CB-CD2 3.96Å; F131-L182 HydrophobicContact CB-CD1 3.49Å; F131-L182 VanDerWaalsContact CB-CD1 3.49Å; F131-L182 HydrophobicContact CD1-CD1 4.41Å; F131-L182 HydrophobicContact CD2-CD1 3.63Å; F131-L182 HydrophobicContact CE2-CD1 4.47Å; F131-L182 HydrophobicContact CG-CD1 3.58Å; F131-P609 VanDerWaalsContact CE2-O 3.24Å; F131-P609 WeakPolarHBondContact CE2-O 3.25Å; F131-L612 HydrophobicContact CE2-CB 3.87Å; F131-L612 HydrophobicContact CZ-CB 3.97Å; F131-L613 HydrophobicContact CD2-CD2 4.17Å; F131-L613 HydrophobicContact CE1-CD2 4.38Å; F131-L613 HydrophobicContact CE2-CD2 3.71Å; F131-L613 HydrophobicContact CE2-CG 3.95Å; F131-L613 HydrophobicContact CZ-CD2 3.83Å; F131-L613 HydrophobicContact CZ-CG 4.34Å
132	L	97.9	Very high	96.2	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-59.5	-43.8	172.7	-72.8	172.2	0	0	0	111.1	I108 L111 Y112 I128 R129 T135 M136	I108-L132 HydrophobicContact CG2-CD2 4.35Å; L111-L132 HydrophobicContact CB-CD1 4.26Å; L111-L132 HydrophobicContact CB-CD2 3.96Å; L111-L132 HydrophobicContact CB-CG 4.4Å; L111-L132 HydrophobicContact CD1-CD2 4.29Å; Y112-L132 HydrophobicContact CD1-CD1 3.93Å; Y112-L132 HydrophobicContact CD2-CD1 4.07Å; Y112-L132 HydrophobicContact CD2-CD2 4.03Å; Y112-L132 HydrophobicContact CE1-CD1 3.94Å; Y112-L132 HydrophobicContact CE2-CD1 4.09Å; Y112-L132 HydrophobicContact CE2-CD2 3.82Å; Y112-L132 HydrophobicContact CE2-CG 4.37Å; Y112-L132 HydrophobicContact CG-CD1 3.99Å; I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 HydrophobicContact CG2-CG 4.36Å; I128-L132 WeakPolarHBondContact O-CG 3.3Å; I128-L132 PolarHBondContact O-N 3.4Å; R129-L132 PolarHBondContact O-N 3.47Å; L132-T135 PolarHBondContact O-N 2.89Å; L132-M136 WeakPolarHBondContact O-CB 3.32Å; L132-M136 PolarHBondContact O-N 3.47Å
133	T	96.5	Very high	96.6	Very high	33 Å²	33	16.5 Å²	16.5	20%	0.202	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-45.3	177.8	-57.6	0	0	0	0	111.8	R129 S130 F131 T135 M136 R137 F805	R129-T133 WeakPolarHBondContact O-CB 3.46Å; R129-T133 PolarHBondContact O-N 2.87Å; R129-T133 PolarHBondContact O-OG1 3.03Å; S130-T133 PolarHBondContact O-N 3.25Å; F131-T133 VanDerWaalsContact C-N 3.3Å; F131-T133 PolarHBondContact O-N 3.46Å; T133-T135 VanDerWaalsContact C-N 3.32Å; T133-T135 PolarHBondContact O-N 3.02Å; T133-M136 PolarHBondContact O-N 3.03Å; T133-R137 WeakPolarHBondContact O-CG 3.31Å; T133-R137 PolarHBondContact O-N 2.78Å; T133-F805 HydrophobicContact CG2-CE1 4.36Å; T133-F805 HydrophobicContact CG2-CZ 3.8Å
134	I	97.7	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.2	-44.7	176.9	-65.9	166.1	0	0	0	110.3	S130 F131 M136 R137 C138 L175 F262 Y263 L613 F805	S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.37Å; S130-I134 PolarHBondContact O-N 2.78Å; F131-I134 PolarHBondContact O-N 3.32Å; I134-M136 PolarHBondContact O-N 3.09Å; I134-R137 PolarHBondContact O-N 3.46Å; I134-C138 WeakPolarHBondContact O-CB 3.45Å; I134-C138 PolarHBondContact O-N 3.33Å; I134-L175 HydrophobicContact CB-CD2 4.49Å; I134-L175 HydrophobicContact CG2-CD1 3.91Å; I134-L175 HydrophobicContact CG2-CD2 3.68Å; I134-L175 HydrophobicContact CG2-CG 4.46Å; I134-F262 HydrophobicContact CG2-CE1 4.29Å; I134-F262 HydrophobicContact CG2-CZ 3.7Å; I134-Y263 HydrophobicContact CD1-CD1 4.47Å; I134-Y263 HydrophobicContact CD1-CD2 4.18Å; I134-Y263 HydrophobicContact CD1-CE2 4.33Å; I134-Y263 HydrophobicContact CD1-CG 4.26Å; I134-Y263 HydrophobicContact CG1-CD1 4.18Å; I134-Y263 HydrophobicContact CG1-CD2 3.98Å; I134-Y263 HydrophobicContact CG1-CG 3.74Å; I134-Y263 HydrophobicContact CG2-CD1 3.98Å; I134-Y263 HydrophobicContact CG2-CG 4.27Å; I134-L613 HydrophobicContact CD1-CD2 3.42Å; I134-L613 VanDerWaalsContact CD1-CD2 3.42Å; I134-F805 HydrophobicContact CD1-CD1 3.99Å; I134-F805 HydrophobicContact CD1-CE1 4.11Å; I134-F805 HydrophobicContact CG1-CD1 4.02Å; I134-F805 HydrophobicContact CG1-CE1 3.66Å
135	T	98.1	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-41.3	179.5	-52.9	0	0	0	0	111.8	M51 F104 F131 L132 T133 C138 S139 L172 L179	M51-T135 HydrophobicContact CE-CG2 3.57Å; F104-T135 HydrophobicContact CE2-CG2 4.32Å; F104-T135 HydrophobicContact CZ-CG2 3.71Å; F131-T135 WeakPolarHBondContact O-CB 3.45Å; F131-T135 PolarHBondContact O-N 2.87Å; F131-T135 PolarHBondContact O-OG1 3.33Å; L132-T135 PolarHBondContact O-N 2.89Å; T133-T135 VanDerWaalsContact C-N 3.32Å; T133-T135 PolarHBondContact O-N 3.02Å; T135-C138 PolarHBondContact O-N 2.79Å; T135-S139 WeakPolarHBondContact O-CB 3.46Å; T135-S139 PolarHBondContact O-N 2.84Å; T135-S139 PolarHBondContact O-OG 2.88Å; T135-L172 HydrophobicContact CG2-CD1 3.81Å; T135-L179 HydrophobicContact CG2-CD1 3.99Å
136	M	97.5	Very high	96.4	Very high	46 Å²	46	19 Å²	19	23%	0.227	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-47.6	175.4	-172.6	-168.9	-59.5	0	0	111.5	M51 L54 Y112 L132 T133 I134 C138 S139 A140	M51-M136 HydrophobicContact CB-CE 4.41Å; M51-M136 HydrophobicContact CE-CB 4.44Å; M51-M136 WeakPolarHBondContact SD-CA 3.38Å; M51-M136 HydrophobicContact SD-CB 3.64Å; M51-M136 HydrophobicContact SD-CG 3.76Å; L54-M136 HydrophobicContact CD2-CG 4.21Å; L54-M136 WeakPolarHBondContact CD2-O 3.44Å; Y112-M136 WeakPolarHBondContact OH-CE 3.33Å; L132-M136 WeakPolarHBondContact O-CB 3.32Å; L132-M136 PolarHBondContact O-N 3.47Å; T133-M136 PolarHBondContact O-N 3.03Å; I134-M136 PolarHBondContact O-N 3.09Å; M136-C138 PolarHBondContact O-N 2.97Å; M136-S139 PolarHBondContact O-N 2.8Å; M136-A140 WeakPolarHBondContact O-CB 3.3Å; M136-A140 PolarHBondContact O-N 2.79Å
137	R	97.2	Very high	96	Very high	77 Å²	77	23.5 Å²	23.5	29%	0.291	12%	0.118	S	C	.	.	H	α-helix	trans	-62.6	-42.1	177.1	-70.7	178	-173.5	-163.1	-1.5	111.7	T133 I134 S139 A140 V141 F262 Y263 D833	T133-R137 WeakPolarHBondContact O-CG 3.31Å; T133-R137 PolarHBondContact O-N 2.78Å; I134-R137 PolarHBondContact O-N 3.46Å; R137-S139 VanDerWaalsContact C-N 3.34Å; R137-S139 PolarHBondContact O-N 3.25Å; R137-A140 PolarHBondContact O-N 3.13Å; R137-V141 WeakPolarHBondContact O-CG2 3.49Å; R137-V141 PolarHBondContact O-N 2.92Å; R137-F262 HydrophobicContact CB-CD2 4.22Å; R137-F262 HydrophobicContact CB-CE2 3.7Å; R137-Y263 PolarHBondContact NH1-O 3.13Å; R137-D833 IonicContact CZ-OD1 2.67Å; R137-D833 IonicContact NH1-OD1 2.95Å; R137-D833 PolarHBondContact NH1-OD1 2.89Å; R137-D833 IonicContact NH1-OD2 3.54Å; R137-D833 IonicContact NH2-OD1 3.71Å; R137-D833 PolarHBondContact NH2-OD1 3.25Å; R137-D833 IonicContact NH2-OD2 2.82Å
138	C	98.2	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-48.8	178.1	-171.3	0	0	0	0	110.2	I134 T135 M136 A140 V141 L142 L172 L175 F262	I134-C138 WeakPolarHBondContact O-CB 3.45Å; I134-C138 PolarHBondContact O-N 3.33Å; T135-C138 PolarHBondContact O-N 2.79Å; M136-C138 PolarHBondContact O-N 2.97Å; C138-A140 VanDerWaalsContact C-N 3.34Å; C138-A140 PolarHBondContact O-N 3.08Å; C138-V141 PolarHBondContact O-N 3.12Å; C138-L142 VanDerWaalsContact O-CB 3.27Å; C138-L142 WeakPolarHBondContact O-CB 3.44Å; C138-L142 PolarHBondContact O-N 3.09Å; C138-L172 HydrophobicContact CB-CD1 4.47Å; C138-L175 HydrophobicContact CB-CD1 3.75Å; C138-F262 HydrophobicContact CB-CE2 3.88Å; C138-F262 HydrophobicContact CB-CZ 3.58Å; C138-F262 VanDerWaalsContact N-CE2 3.28Å
139	S	98.1	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-38.8	-179.8	-58.2	0	0	0	0	112.2	T135 M136 R137 L143	T135-S139 WeakPolarHBondContact O-CB 3.46Å; T135-S139 PolarHBondContact O-N 2.84Å; T135-S139 PolarHBondContact O-OG 2.88Å; M136-S139 PolarHBondContact O-N 2.8Å; R137-S139 VanDerWaalsContact C-N 3.34Å; R137-S139 PolarHBondContact O-N 3.25Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 2.83Å
140	A	96.8	Very high	93.1	Very high	39 Å²	39	32 Å²	32	32%	0.322	17%	0.165	S	C	.	.	H	α-helix	trans	-68.8	-43.1	178.8	0	0	0	0	0	112.3	L54 M136 R137 C138 T144	L54-A140 HydrophobicContact CD2-CB 4.1Å; M136-A140 WeakPolarHBondContact O-CB 3.3Å; M136-A140 PolarHBondContact O-N 2.79Å; R137-A140 PolarHBondContact O-N 3.13Å; C138-A140 VanDerWaalsContact C-N 3.34Å; C138-A140 PolarHBondContact O-N 3.08Å; A140-T144 PolarHBondContact O-N 3.33Å; A140-T144 VanDerWaalsContact O-N 3.12Å; A140-T144 PolarHBondContact O-OG1 3.41Å
141	V	96.5	Very high	91.4	Very high	43 Å²	43	35.4 Å²	35.4	26%	0.261	19%	0.188	S	C	.	.	H	α-helix	trans	-65.4	-44.1	175.3	174.9	0	0	0	0	110.6	R137 C138 L143 T144 Y145 Y168	R137-V141 WeakPolarHBondContact O-CG2 3.49Å; R137-V141 PolarHBondContact O-N 2.92Å; C138-V141 PolarHBondContact O-N 3.12Å; V141-L143 PolarHBondContact O-N 2.75Å; V141-T144 WeakPolarHBondContact O-CB 3.27Å; V141-T144 PolarHBondContact O-N 2.59Å; V141-T144 VanDerWaalsContact O-N 3.15Å; V141-Y145 HydrophobicContact CG1-CD2 3.77Å; V141-Y145 HydrophobicContact CG1-CE2 3.46Å; V141-Y145 VanDerWaalsContact CG1-CE2 3.46Å; V141-Y145 WeakPolarHBondContact O-CD2 3.24Å; V141-Y145 PolarHBondContact O-N 3.27Å; V141-Y168 HydrophobicContact CB-CD1 4.07Å; V141-Y168 HydrophobicContact CB-CE1 3.68Å; V141-Y168 HydrophobicContact CG1-CD1 3.86Å; V141-Y168 HydrophobicContact CG1-CD2 4.36Å; V141-Y168 HydrophobicContact CG1-CE1 3.36Å; V141-Y168 HydrophobicContact CG1-CE2 3.92Å; V141-Y168 HydrophobicContact CG1-CG 4.34Å; V141-Y168 HydrophobicContact CG2-CE1 4.37Å
142	L	96.5	Very high	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-46.7	176.8	178.8	55.2	0	0	0	112	L58 L96 C138 T144 Y145 I146 V165 I169 L172	L58-L142 HydrophobicContact CD1-CD2 4.16Å; L58-L142 HydrophobicContact CD1-CG 3.96Å; L58-L142 HydrophobicContact CD2-CD2 4Å; L96-L142 HydrophobicContact CD1-CD2 4.1Å; L96-L142 HydrophobicContact CD2-CD2 4.1Å; C138-L142 VanDerWaalsContact O-CB 3.27Å; C138-L142 WeakPolarHBondContact O-CB 3.44Å; C138-L142 PolarHBondContact O-N 3.09Å; L142-T144 PolarHBondContact O-N 3.45Å; L142-Y145 PolarHBondContact O-N 2.85Å; L142-I146 HydrophobicContact CD1-CD1 3.93Å; L142-I146 HydrophobicContact CD1-CG1 4.14Å; L142-I146 HydrophobicContact CG-CD1 3.99Å; L142-I146 WeakPolarHBondContact O-CG1 3.32Å; L142-I146 PolarHBondContact O-N 2.94Å; L142-V165 HydrophobicContact CD1-CG1 4.04Å; L142-I169 HydrophobicContact CD1-CG1 3.83Å; L142-I169 HydrophobicContact CD2-CG1 3.86Å; L142-L172 HydrophobicContact CD2-CD2 4.05Å
143	L	95.1	Very high	87.4	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-39.2	176.1	177	60.9	0	0	0	111.9	L54 E57 L58 Q61 S139 V141 I146 R147	L54-L143 HydrophobicContact CD1-CB 4.39Å; L54-L143 HydrophobicContact CD1-CD2 3.64Å; E57-L143 HydrophobicContact CB-CD2 4.29Å; E57-L143 HydrophobicContact CG-CD1 3.89Å; E57-L143 HydrophobicContact CG-CD2 3.6Å; E57-L143 HydrophobicContact CG-CG 4.41Å; L58-L143 HydrophobicContact CD1-CB 4.2Å; L58-L143 HydrophobicContact CD1-CD1 4.45Å; Q61-L143 HydrophobicContact CB-CD1 4.35Å; Q61-L143 HydrophobicContact CG-CD1 3.68Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 2.83Å; V141-L143 PolarHBondContact O-N 2.75Å; L143-I146 PolarHBondContact O-N 3.42Å; L143-R147 HydrophobicContact CD1-CG 4.25Å; L143-R147 WeakPolarHBondContact O-CB 3.37Å; L143-R147 WeakPolarHBondContact O-CG 3.3Å; L143-R147 PolarHBondContact O-N 3.19Å
144	T	93	Very high	85.5	Confident	74 Å²	74	48 Å²	48	45%	0.454	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-46.3	177	-57.2	0	0	0	0	111.2	A140 V141 L142 R147 Q148	A140-T144 PolarHBondContact O-N 3.33Å; A140-T144 VanDerWaalsContact O-N 3.12Å; A140-T144 PolarHBondContact O-OG1 3.41Å; V141-T144 WeakPolarHBondContact O-CB 3.27Å; V141-T144 PolarHBondContact O-N 2.59Å; V141-T144 VanDerWaalsContact O-N 3.15Å; L142-T144 PolarHBondContact O-N 3.45Å; T144-R147 PolarHBondContact O-N 3.17Å; T144-Q148 WeakPolarHBondContact O-CG 3.33Å; T144-Q148 PolarHBondContact O-N 2.96Å
145	Y	91.9	Very high	83.8	Confident	66 Å²	66	52.8 Å²	52.8	26%	0.259	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-40.3	177.7	-76.3	-58.5	0	0	0	113.1	V141 L142 R147 Q148 M149 T161 Y168	V141-Y145 HydrophobicContact CG1-CD2 3.77Å; V141-Y145 HydrophobicContact CG1-CE2 3.46Å; V141-Y145 VanDerWaalsContact CG1-CE2 3.46Å; V141-Y145 WeakPolarHBondContact O-CD2 3.24Å; V141-Y145 PolarHBondContact O-N 3.27Å; L142-Y145 PolarHBondContact O-N 2.85Å; Y145-R147 VanDerWaalsContact C-N 3.34Å; Y145-R147 PolarHBondContact O-N 3.25Å; Y145-Q148 WeakPolarHBondContact O-CB 3.37Å; Y145-Q148 PolarHBondContact O-N 2.95Å; Y145-Q148 VanDerWaalsContact O-N 3.14Å; Y145-M149 PolarHBondContact O-N 3.34Å; Y145-T161 HydrophobicContact CD1-CG2 4.2Å; Y145-Y168 HydrophobicContact CD2-CD2 4.17Å; Y145-Y168 HydrophobicContact CD2-CE2 4.41Å; Y145-Y168 AromaticContact CE2-CD2 3.94Å; Y145-Y168 HydrophobicContact CE2-CD2 3.94Å; Y145-Y168 AromaticContact CE2-CE2 3.74Å; Y145-Y168 HydrophobicContact CE2-CE2 3.74Å
146	I	90.7	Very high	82	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-44.4	177.1	-71.3	173.5	0	0	0	110.3	L58 Q61 Y65 L93 L96 L142 L143 Q148 M149 V165	L58-I146 HydrophobicContact CD1-CD1 3.63Å; Q61-I146 HydrophobicContact CB-CG2 3.84Å; Y65-I146 HydrophobicContact CD2-CG2 3.66Å; Y65-I146 HydrophobicContact CE2-CG2 3.53Å; Y65-I146 PolarHBondContact OH-O 3.16Å; Y65-I146 VanDerWaalsContact OH-O 3.07Å; L93-I146 HydrophobicContact CD2-CD1 4.39Å; L96-I146 HydrophobicContact CD2-CD1 3.91Å; L142-I146 HydrophobicContact CD1-CD1 3.93Å; L142-I146 HydrophobicContact CD1-CG1 4.14Å; L142-I146 HydrophobicContact CG-CD1 3.99Å; L142-I146 WeakPolarHBondContact O-CG1 3.32Å; L142-I146 PolarHBondContact O-N 2.94Å; L143-I146 PolarHBondContact O-N 3.42Å; I146-Q148 PolarHBondContact O-N 3.29Å; I146-M149 WeakPolarHBondContact O-CB 3.29Å; I146-M149 PolarHBondContact O-N 3.31Å; I146-V165 HydrophobicContact CD1-CG1 4.49Å; I146-V165 HydrophobicContact CG1-CG1 3.93Å; I146-V165 HydrophobicContact CG1-CG2 4.18Å
147	R	88.3	Confident	80.4	Confident	95 Å²	95	57.4 Å²	57.4	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-24.2	176.5	-74.5	174.6	170.5	175.6	-3.7	113.9	E57 L143 T144 Y145 M149	E57-R147 IonicContact OE1-CZ 3.5Å; E57-R147 IonicContact OE1-NE 2.76Å; E57-R147 IonicContact OE1-NH2 3.81Å; E57-R147 PolarHBondContact OE1-NH2 2.85Å; L143-R147 HydrophobicContact CD1-CG 4.25Å; L143-R147 WeakPolarHBondContact O-CB 3.37Å; L143-R147 WeakPolarHBondContact O-CG 3.3Å; L143-R147 PolarHBondContact O-N 3.19Å; T144-R147 PolarHBondContact O-N 3.17Å; Y145-R147 VanDerWaalsContact C-N 3.34Å; Y145-R147 PolarHBondContact O-N 3.25Å; R147-M149 VanDerWaalsContact C-N 3.34Å
148	Q	84.6	Confident	79	Confident	115 Å²	115	58.5 Å²	58.5	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-80.5	-13.8	175.3	-72.1	173.9	-0.8	0	0	113.2	T144 Y145 I146 S150 T161	T144-Q148 WeakPolarHBondContact O-CG 3.33Å; T144-Q148 PolarHBondContact O-N 2.96Å; Y145-Q148 WeakPolarHBondContact O-CB 3.37Å; Y145-Q148 PolarHBondContact O-N 2.95Å; Y145-Q148 VanDerWaalsContact O-N 3.14Å; I146-Q148 PolarHBondContact O-N 3.29Å; Q148-S150 PolarHBondContact O-N 3.11Å; Q148-T161 HydrophobicContact CB-CG2 4.17Å
149	M	80.8	Confident	78	Confident	14 Å²	14	60.3 Å²	60.3	7%	0.069	34%	0.338	C	S	.	.	S	Bend	trans	-66.6	116.7	173.9	-64.8	-179.4	63.1	0	0	108.9	Y65 I89 Y145 I146 R147 S151 W157 T161 V165	Y65-M149 HydrophobicContact CE1-CB 3.81Å; Y65-M149 PolarHBondContact OH-O 3.4Å; I89-M149 HydrophobicContact CG1-CE 4.11Å; Y145-M149 PolarHBondContact O-N 3.34Å; I146-M149 WeakPolarHBondContact O-CB 3.29Å; I146-M149 PolarHBondContact O-N 3.31Å; R147-M149 VanDerWaalsContact C-N 3.34Å; M149-S151 PolarHBondContact O-N 3.21Å; M149-W157 HydrophobicContact CE-CD2 3.82Å; M149-W157 HydrophobicContact CE-CE3 3.75Å; M149-W157 HydrophobicContact CE-CG 4.43Å; M149-W157 HydrophobicContact CE-CH2 4.11Å; M149-W157 HydrophobicContact CE-CZ2 4.2Å; M149-W157 HydrophobicContact CE-CZ3 3.87Å; M149-T161 HydrophobicContact CG-CG2 4.4Å; M149-V165 HydrophobicContact CG-CG2 4.4Å; M149-V165 HydrophobicContact SD-CG1 4.47Å; M149-V165 HydrophobicContact SD-CG2 3.91Å
150	S	64.6	Low	77.1	Confident	60 Å²	60	66.5 Å²	66.5	42%	0.42	37%	0.369	S	S	.	.			trans	-66.1	135.6	179.2	61.5	0	0	0	0	110.6	Q148 Y152 W157	Q148-S150 PolarHBondContact O-N 3.11Å; S150-Y152 PolarHBondContact O-N 3.01Å; S150-W157 PolarHBondContact O-NE1 2.94Å
151	S	61.6	Low	76.5	Confident	71 Å²	71	67 Å²	67	50%	0.497	37%	0.369	S	S	.	.	S	Bend	trans	-72.4	-12.5	172.9	54.9	0	0	0	0	112.9	M149	M149-S151 PolarHBondContact O-N 3.21Å
152	Y	54.5	Low	76.1	Confident	213 Å²	213	66.3 Å²	66.3	84%	0.835	36%	0.363	S	S	*	.	S	Bend	trans	-78.5	-20.7	-162.3	-75	-78.9	0	0	0	115.7	S150	S150-Y152 PolarHBondContact O-N 3.01Å
153	S	57.3	Low	75.9	Confident	40 Å²	40	71.7 Å²	71.7	28%	0.28	39%	0.386	S	S	.	.			trans	-165.8	126.5	166.6	-173.9	0	0	0	0	112.6	S155 N156 W157	S153-S155 PolarHBondContact O-N 3.04Å; S153-S155 PolarHBondContact OG-N 3.44Å; S153-S155 PolarHBondContact OG-OG 3.42Å; S153-N156 PolarHBondContact O-N 3.19Å; S153-W157 PolarHBondContact O-NE1 2.98Å
154	I	57.6	Low	75.8	Confident	47 Å²	47	71.6 Å²	71.6	24%	0.241	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-62.8	-31.1	172.9	-66.6	179.2	0	0	0	111.7	I69 N72 N156 W157	I69-I154 HydrophobicContact CB-CD1 4.33Å; I69-I154 HydrophobicContact CG1-CD1 4.14Å; N72-I154 HydrophobicContact CB-CD1 3.4Å; N72-I154 VanDerWaalsContact CB-CD1 3.4Å; N72-I154 HydrophobicContact CB-CG1 4.45Å; N72-I154 WeakPolarHBondContact ND2-CD1 3.35Å; I154-N156 PolarHBondContact O-N 3.39Å; I154-N156 VanDerWaalsContact O-N 3.13Å; I154-W157 HydrophobicContact CG1-CD2 4.42Å; I154-W157 HydrophobicContact CG1-CH2 4.39Å; I154-W157 HydrophobicContact CG1-CZ2 4.02Å; I154-W157 HydrophobicContact CG2-CD2 4.41Å; I154-W157 HydrophobicContact CG2-CE3 4.45Å; I154-W157 WeakPolarHBondContact O-CB 2.98Å; I154-W157 PolarHBondContact O-N 3.31Å
155	S	60.9	Low	75.9	Confident	100 Å²	100	68 Å²	68	70%	0.699	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.5	178.4	63.8	0	0	0	0	113.1	S153 W157	S153-S155 PolarHBondContact O-N 3.04Å; S153-S155 PolarHBondContact OG-N 3.44Å; S153-S155 PolarHBondContact OG-OG 3.42Å; S155-W157 VanDerWaalsContact C-N 3.34Å
156	N	59.9	Low	76	Confident	115 Å²	115	66.3 Å²	66.3	62%	0.615	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-90.1	6.7	175.8	-72.2	-18.7	0	0	0	113.4	S153 I154 S158	S153-N156 PolarHBondContact O-N 3.19Å; I154-N156 PolarHBondContact O-N 3.39Å; I154-N156 VanDerWaalsContact O-N 3.13Å; N156-S158 PolarHBondContact O-N 3.02Å
157	W	65.2	Low	76.3	Confident	29 Å²	29	66.8 Å²	66.8	11%	0.11	36%	0.363	C	S	.	.			trans	-78.4	56.6	179.2	-68.7	13	0	0	0	111.9	Y65 I69 I89 M149 S150 S153 I154 S155 H162	Y65-W157 AromaticContact CD1-CH2 3.85Å; Y65-W157 HydrophobicContact CD1-CH2 3.85Å; Y65-W157 AromaticContact CD1-CZ2 3.83Å; Y65-W157 HydrophobicContact CD1-CZ2 3.83Å; Y65-W157 HydrophobicContact CE1-CZ2 4.31Å; I69-W157 HydrophobicContact CD1-CH2 3.58Å; I69-W157 HydrophobicContact CD1-CZ3 3.33Å; I69-W157 HydrophobicContact CG1-CH2 3.38Å; I69-W157 HydrophobicContact CG1-CZ3 3.41Å; I69-W157 VanDerWaalsContact CG1-CZ3 3.41Å; I89-W157 HydrophobicContact CG2-CE3 4.12Å; M149-W157 HydrophobicContact CE-CD2 3.82Å; M149-W157 HydrophobicContact CE-CE3 3.75Å; M149-W157 HydrophobicContact CE-CG 4.43Å; M149-W157 HydrophobicContact CE-CH2 4.11Å; M149-W157 HydrophobicContact CE-CZ2 4.2Å; M149-W157 HydrophobicContact CE-CZ3 3.87Å; S150-W157 PolarHBondContact O-NE1 2.94Å; S153-W157 PolarHBondContact O-NE1 2.98Å; I154-W157 HydrophobicContact CG1-CD2 4.42Å; I154-W157 HydrophobicContact CG1-CH2 4.39Å; I154-W157 HydrophobicContact CG1-CZ2 4.02Å; I154-W157 HydrophobicContact CG2-CD2 4.41Å; I154-W157 HydrophobicContact CG2-CE3 4.45Å; I154-W157 WeakPolarHBondContact O-CB 2.98Å; I154-W157 PolarHBondContact O-N 3.31Å; S155-W157 VanDerWaalsContact C-N 3.34Å; W157-H162 PolarHBondContact O-CD2 2.92Å; W157-H162 PolarHBondContact O-NE2 2.81Å
158	S	66.7	Low	76.8	Confident	99 Å²	99	63 Å²	63	69%	0.692	35%	0.349	S	S	*	.			trans	-133.1	143.8	169.6	66.3	0	0	0	0	108.8	N156	N156-S158 PolarHBondContact O-N 3.02Å
159	G	76.7	Confident	77.5	Confident	39 Å²	39	57.5 Å²	57.5	40%	0.402	32%	0.323	S	S	.	.	S	Bend	trans	133.7	-165.9	177.4	0	0	0	0	0	114.6	K163	G159-K163 WeakPolarHBondContact O-CG 3.45Å; G159-K163 PolarHBondContact O-N 3.39Å
160	I	79.6	Confident	78.3	Confident	129 Å²	129	57.9 Å²	57.9	66%	0.662	33%	0.325	S	S	*	.	H	α-helix	trans	-67.9	-43.7	-171.2	-63	168.5	0	0	0	111.3	H162 K163 S164	I160-H162 PolarHBondContact O-N 3.45Å; I160-K163 PolarHBondContact O-N 3.28Å; I160-S164 PolarHBondContact O-N 3.02Å; I160-S164 PolarHBondContact O-OG 3.34Å
161	T	85.2	Confident	79.9	Confident	50 Å²	50	55 Å²	55	31%	0.307	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-46	-179.6	-52.2	0	0	0	0	112	Y145 Q148 M149 S164 V165	Y145-T161 HydrophobicContact CD1-CG2 4.2Å; Q148-T161 HydrophobicContact CB-CG2 4.17Å; M149-T161 HydrophobicContact CG-CG2 4.4Å; T161-S164 WeakPolarHBondContact O-CB 3.3Å; T161-S164 PolarHBondContact O-N 3.48Å; T161-V165 WeakPolarHBondContact O-CG2 3.22Å; T161-V165 PolarHBondContact O-N 3.24Å
162	H	87.9	Confident	81.7	Confident	29 Å²	29	51.7 Å²	51.7	13%	0.134	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-47.4	178.2	173	-81.5	0	0	0	112.3	I89 W157 I160 S164 V165 I166	I89-H162 VanDerWaalsContact CB-CD2 3.46Å; I89-H162 WeakPolarHBondContact CB-CD2 3.27Å; I89-H162 WeakPolarHBondContact CB-NE2 3.2Å; I89-H162 WeakPolarHBondContact CG2-NE2 3.38Å; W157-H162 PolarHBondContact O-CD2 2.92Å; W157-H162 PolarHBondContact O-NE2 2.81Å; I160-H162 PolarHBondContact O-N 3.45Å; H162-S164 VanDerWaalsContact C-N 3.29Å; H162-S164 PolarHBondContact O-N 3.19Å; H162-V165 PolarHBondContact O-N 2.91Å; H162-I166 VanDerWaalsContact CE1-CD1 3.4Å; H162-I166 WeakPolarHBondContact CE1-CD1 3.42Å; H162-I166 PolarHBondContact O-N 2.78Å
163	K	91	Very high	83.7	Confident	112 Å²	112	43.4 Å²	43.4	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-36.6	175.4	-66.5	-178	179.3	-176	0	112.2	G159 I160 A167	G159-K163 WeakPolarHBondContact O-CG 3.45Å; G159-K163 PolarHBondContact O-N 3.39Å; I160-K163 PolarHBondContact O-N 3.28Å; K163-A167 WeakPolarHBondContact O-CB 3.13Å; K163-A167 PolarHBondContact O-N 3.09Å
164	S	93.9	Very high	85.7	Confident	6 Å²	6	42.4 Å²	42.4	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-42.9	173.5	-66.8	0	0	0	0	112.1	I160 T161 H162 I166 A167 Y168	I160-S164 PolarHBondContact O-N 3.02Å; I160-S164 PolarHBondContact O-OG 3.34Å; T161-S164 WeakPolarHBondContact O-CB 3.3Å; T161-S164 PolarHBondContact O-N 3.48Å; H162-S164 VanDerWaalsContact C-N 3.29Å; H162-S164 PolarHBondContact O-N 3.19Å; S164-I166 PolarHBondContact O-N 2.81Å; S164-A167 PolarHBondContact O-N 2.91Å; S164-Y168 WeakPolarHBondContact O-CD2 3.42Å; S164-Y168 PolarHBondContact O-N 3.27Å
165	V	94.7	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-49.2	175.6	174.4	0	0	0	0	110.6	I89 L142 I146 M149 T161 H162 A167 Y168 I169	I89-V165 HydrophobicContact CD1-CB 3.92Å; I89-V165 HydrophobicContact CD1-CG1 3.53Å; L142-V165 HydrophobicContact CD1-CG1 4.04Å; I146-V165 HydrophobicContact CD1-CG1 4.49Å; I146-V165 HydrophobicContact CG1-CG1 3.93Å; I146-V165 HydrophobicContact CG1-CG2 4.18Å; M149-V165 HydrophobicContact CG-CG2 4.4Å; M149-V165 HydrophobicContact SD-CG1 4.47Å; M149-V165 HydrophobicContact SD-CG2 3.91Å; T161-V165 WeakPolarHBondContact O-CG2 3.22Å; T161-V165 PolarHBondContact O-N 3.24Å; H162-V165 PolarHBondContact O-N 2.91Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 2.9Å; V165-Y168 PolarHBondContact O-N 2.84Å; V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 HydrophobicContact CG1-CG1 4.4Å; V165-I169 WeakPolarHBondContact O-CB 3.32Å; V165-I169 VanDerWaalsContact O-CG1 3.28Å; V165-I169 WeakPolarHBondContact O-CG1 3.26Å; V165-I169 PolarHBondContact O-N 2.83Å
166	I	95.4	Very high	89.4	Confident	30 Å²	30	35.9 Å²	35.9	15%	0.154	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-45.8	177.5	-65.2	170.9	0	0	0	111	D88 I89 A92 H162 S164 Y168 I169 N170	D88-I166 HydrophobicContact CB-CD1 3.8Å; I89-I166 HydrophobicContact CB-CD1 4.26Å; I89-I166 HydrophobicContact CB-CG1 4.39Å; I89-I166 HydrophobicContact CD1-CD1 4.5Å; I89-I166 HydrophobicContact CD1-CG1 3.82Å; A92-I166 HydrophobicContact CB-CG1 4.01Å; A92-I166 HydrophobicContact CB-CG2 4.44Å; H162-I166 VanDerWaalsContact CE1-CD1 3.4Å; H162-I166 WeakPolarHBondContact CE1-CD1 3.42Å; H162-I166 PolarHBondContact O-N 2.78Å; S164-I166 PolarHBondContact O-N 2.81Å; I166-Y168 PolarHBondContact O-N 3.45Å; I166-I169 PolarHBondContact O-N 2.94Å; I166-N170 PolarHBondContact O-N 2.92Å; I166-N170 PolarHBondContact O-ND2 3.2Å
167	A	97.1	Very high	91.1	Very high	10 Å²	10	31.8 Å²	31.8	8%	0.083	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-44.1	-179.3	0	0	0	0	0	112.5	K163 S164 V165 N170 C171 R258	K163-A167 WeakPolarHBondContact O-CB 3.13Å; K163-A167 PolarHBondContact O-N 3.09Å; S164-A167 PolarHBondContact O-N 2.91Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 2.9Å; A167-N170 PolarHBondContact O-N 3.39Å; A167-C171 WeakPolarHBondContact O-CB 3.23Å; A167-C171 PolarHBondContact O-N 3.02Å; A167-R258 HydrophobicContact CB-CB 3.87Å; A167-R258 HydrophobicContact CB-CG 4.46Å
168	Y	98.2	Very high	92.7	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-72.2	-32.1	178.5	-86.1	-94.1	0	0	0	112.6	V141 Y145 S164 V165 I166 C171 L172 F262	V141-Y168 HydrophobicContact CB-CD1 4.07Å; V141-Y168 HydrophobicContact CB-CE1 3.68Å; V141-Y168 HydrophobicContact CG1-CD1 3.86Å; V141-Y168 HydrophobicContact CG1-CD2 4.36Å; V141-Y168 HydrophobicContact CG1-CE1 3.36Å; V141-Y168 HydrophobicContact CG1-CE2 3.92Å; V141-Y168 HydrophobicContact CG1-CG 4.34Å; V141-Y168 HydrophobicContact CG2-CE1 4.37Å; Y145-Y168 HydrophobicContact CD2-CD2 4.17Å; Y145-Y168 HydrophobicContact CD2-CE2 4.41Å; Y145-Y168 AromaticContact CE2-CD2 3.94Å; Y145-Y168 HydrophobicContact CE2-CD2 3.94Å; Y145-Y168 AromaticContact CE2-CE2 3.74Å; Y145-Y168 HydrophobicContact CE2-CE2 3.74Å; S164-Y168 WeakPolarHBondContact O-CD2 3.42Å; S164-Y168 PolarHBondContact O-N 3.27Å; V165-Y168 PolarHBondContact O-N 2.84Å; I166-Y168 PolarHBondContact O-N 3.45Å; Y168-C171 PolarHBondContact O-N 2.97Å; Y168-L172 WeakPolarHBondContact O-CB 3.25Å; Y168-L172 PolarHBondContact O-N 3.47Å; Y168-F262 HydrophobicContact CE1-CB 4.4Å; Y168-F262 HydrophobicContact CE1-CD1 4.29Å; Y168-F262 HydrophobicContact CE1-CD2 4.18Å; Y168-F262 HydrophobicContact CE1-CG 4.01Å; Y168-F262 WeakPolarHBondContact OH-CB 3.34Å
169	I	98.3	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-50.7	169.2	-71.7	170.8	0	0	0	109.9	A92 L93 L96 L142 V165 I166 C171 L172 M173	A92-I169 HydrophobicContact CB-CD1 3.86Å; A92-I169 HydrophobicContact CB-CG2 4.25Å; A92-I169 WeakPolarHBondContact O-CG2 3.27Å; L93-I169 HydrophobicContact CD2-CD1 4.18Å; L96-I169 HydrophobicContact CB-CD1 4.09Å; L96-I169 HydrophobicContact CB-CG1 4.17Å; L96-I169 HydrophobicContact CB-CG2 4.19Å; L96-I169 HydrophobicContact CD2-CD1 4.08Å; L96-I169 HydrophobicContact CD2-CG1 4.07Å; L142-I169 HydrophobicContact CD1-CG1 3.83Å; L142-I169 HydrophobicContact CD2-CG1 3.86Å; V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 HydrophobicContact CG1-CG1 4.4Å; V165-I169 WeakPolarHBondContact O-CB 3.32Å; V165-I169 VanDerWaalsContact O-CG1 3.28Å; V165-I169 WeakPolarHBondContact O-CG1 3.26Å; V165-I169 PolarHBondContact O-N 2.83Å; I166-I169 PolarHBondContact O-N 2.94Å; I169-C171 VanDerWaalsContact C-N 3.33Å; I169-C171 PolarHBondContact O-N 3.25Å; I169-L172 PolarHBondContact O-N 3.41Å; I169-L172 VanDerWaalsContact O-N 3.13Å; I169-M173 HydrophobicContact CG2-CG 4.39Å; I169-M173 VanDerWaalsContact O-CG 3.3Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 3.43Å
170	N	98.2	Very high	95.1	Very high	22 Å²	22	26.1 Å²	26.1	12%	0.118	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-44.8	178.5	-72.4	-28.7	0	0	0	111.7	R95 I166 A167 L172 M173 E174 H254	R95-N170 PolarHBondContact NH1-OD1 3.45Å; I166-N170 PolarHBondContact O-N 2.92Å; I166-N170 PolarHBondContact O-ND2 3.2Å; A167-N170 PolarHBondContact O-N 3.39Å; N170-L172 VanDerWaalsContact C-N 3.34Å; N170-L172 PolarHBondContact O-N 2.96Å; N170-M173 WeakPolarHBondContact O-CB 3.42Å; N170-M173 PolarHBondContact O-N 3.43Å; N170-E174 WeakPolarHBondContact O-CG 3.27Å; N170-E174 PolarHBondContact O-N 3.44Å; N170-E174 VanDerWaalsContact O-N 3.09Å; N170-H254 HydrophobicContact CB-CB 4.23Å
171	C	98.4	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.9	-43	174.8	-179.3	0	0	0	0	112.2	A167 Y168 I169 M173 E174 L175 C259	A167-C171 WeakPolarHBondContact O-CB 3.23Å; A167-C171 PolarHBondContact O-N 3.02Å; Y168-C171 PolarHBondContact O-N 2.97Å; I169-C171 VanDerWaalsContact C-N 3.33Å; I169-C171 PolarHBondContact O-N 3.25Å; C171-M173 VanDerWaalsContact C-N 3.34Å; C171-M173 PolarHBondContact O-N 3.42Å; C171-E174 PolarHBondContact O-N 2.88Å; C171-L175 WeakPolarHBondContact O-CG 3.15Å; C171-L175 PolarHBondContact O-N 3.42Å; C171-C259 HydrophobicContact CB-CB 4.1Å
172	L	98.3	Very high	96.4	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-65.6	-35.5	176.8	-172.1	61.4	0	0	0	112.6	L58 L96 L99 F104 T135 C138 L142 Y168 I169 N170 L175 S176	L58-L172 HydrophobicContact CD2-CD2 4.17Å; L96-L172 HydrophobicContact CD1-CD2 3.87Å; L99-L172 HydrophobicContact CD2-CD2 4.24Å; L99-L172 HydrophobicContact CD2-CG 4Å; F104-L172 HydrophobicContact CZ-CD1 3.95Å; T135-L172 HydrophobicContact CG2-CD1 3.81Å; C138-L172 HydrophobicContact CB-CD1 4.47Å; L142-L172 HydrophobicContact CD2-CD2 4.05Å; Y168-L172 WeakPolarHBondContact O-CB 3.25Å; Y168-L172 PolarHBondContact O-N 3.47Å; I169-L172 PolarHBondContact O-N 3.41Å; I169-L172 VanDerWaalsContact O-N 3.13Å; N170-L172 VanDerWaalsContact C-N 3.34Å; N170-L172 PolarHBondContact O-N 2.96Å; L172-L175 PolarHBondContact O-N 3.41Å; L172-S176 PolarHBondContact O-N 2.53Å
173	M	98.2	Very high	96.8	Very high	39 Å²	39	17.3 Å²	17.3	19%	0.192	9%	0.089	C	C	.	.	H	α-helix	trans	-62.1	-46.4	173.8	-65	-60.6	-56.6	0	0	110.8	R95 L99 I169 N170 C171 S176 V177	R95-M173 HydrophobicContact CB-SD 4.46Å; L99-M173 HydrophobicContact CB-CE 4.45Å; L99-M173 HydrophobicContact CB-SD 3.85Å; L99-M173 HydrophobicContact CD2-SD 3.77Å; L99-M173 HydrophobicContact CG-SD 4.25Å; I169-M173 HydrophobicContact CG2-CG 4.39Å; I169-M173 VanDerWaalsContact O-CG 3.3Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 3.43Å; N170-M173 WeakPolarHBondContact O-CB 3.42Å; N170-M173 PolarHBondContact O-N 3.43Å; C171-M173 VanDerWaalsContact C-N 3.34Å; C171-M173 PolarHBondContact O-N 3.42Å; M173-S176 WeakPolarHBondContact O-CB 3.42Å; M173-S176 PolarHBondContact O-N 3.41Å; M173-S176 PolarHBondContact O-OG 3.13Å; M173-V177 PolarHBondContact O-N 2.96Å
174	E	97.7	Very high	97	Very high	19 Å²	19	16.4 Å²	16.4	9%	0.089	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-39.3	176.5	-58	-51.4	134.7	0	0	112	N170 C171 S176 V177 C178 I250 K251 H254 F255	N170-E174 WeakPolarHBondContact O-CG 3.27Å; N170-E174 PolarHBondContact O-N 3.44Å; N170-E174 VanDerWaalsContact O-N 3.09Å; C171-E174 PolarHBondContact O-N 2.88Å; E174-S176 VanDerWaalsContact C-N 3.26Å; E174-S176 PolarHBondContact O-N 2.88Å; E174-V177 WeakPolarHBondContact O-CB 3.26Å; E174-V177 PolarHBondContact O-N 2.87Å; E174-V177 VanDerWaalsContact O-N 3.14Å; E174-C178 PolarHBondContact O-N 3.05Å; E174-C178 VanDerWaalsContact O-N 3.1Å; E174-C178 PolarHBondContact O-SG 3.33Å; E174-I250 HydrophobicContact CB-CG2 4.35Å; E174-I250 WeakPolarHBondContact OE2-CA 3.2Å; E174-K251 HydrophobicContact CG-CB 4.21Å; E174-K251 PolarHBondContact OE2-N 3.18Å; E174-H254 HydrophobicContact CG-CB 4.11Å; E174-H254 IonicContact OE1-CD2 2.81Å; E174-F255 HydrophobicContact CB-CE2 3.54Å; E174-F255 HydrophobicContact CB-CZ 3.52Å; E174-F255 HydrophobicContact CG-CE2 4.15Å
175	L	98.1	Very high	96.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.6	-36.5	172.9	-72.9	169	0	0	0	111.8	F131 I134 C138 C171 L172 V177 C178 L179 F255	F131-L175 HydrophobicContact CD1-CD2 4.1Å; F131-L175 HydrophobicContact CE1-CD2 4.24Å; I134-L175 HydrophobicContact CB-CD2 4.49Å; I134-L175 HydrophobicContact CG2-CD1 3.91Å; I134-L175 HydrophobicContact CG2-CD2 3.68Å; I134-L175 HydrophobicContact CG2-CG 4.46Å; C138-L175 HydrophobicContact CB-CD1 3.75Å; C171-L175 WeakPolarHBondContact O-CG 3.15Å; C171-L175 PolarHBondContact O-N 3.42Å; L172-L175 PolarHBondContact O-N 3.41Å; L175-V177 PolarHBondContact O-N 2.86Å; L175-C178 WeakPolarHBondContact O-CB 3.15Å; L175-C178 PolarHBondContact O-N 3.42Å; L175-C178 VanDerWaalsContact O-N 3.13Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.26Å; L175-F255 HydrophobicContact CD2-CE1 3.85Å; L175-F255 HydrophobicContact CD2-CZ 4.27Å; L175-F255 HydrophobicContact CG-CE1 3.87Å; L175-F255 HydrophobicContact CG-CZ 4.24Å
176	S	98	Very high	96.7	Very high	11 Å²	11	18.2 Å²	18.2	8%	0.077	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-31.9	177.5	81	0	0	0	0	112.9	R107 L172 M173 E174 E180	R107-S176 PolarHBondContact NH1-O 3.1Å; L172-S176 PolarHBondContact O-N 2.53Å; M173-S176 WeakPolarHBondContact O-CB 3.42Å; M173-S176 PolarHBondContact O-N 3.41Å; M173-S176 PolarHBondContact O-OG 3.13Å; E174-S176 VanDerWaalsContact C-N 3.26Å; E174-S176 PolarHBondContact O-N 2.88Å; S176-E180 PolarHBondContact O-N 3.35Å
177	V	97	Very high	96.6	Very high	28 Å²	28	21.2 Å²	21.2	17%	0.17	10%	0.104	C	C	.	.	H	α-helix	trans	-71.1	-43.9	172.9	-179.7	0	0	0	0	110.2	M173 E174 L175 L179 E180 V181 L246 I250	M173-V177 PolarHBondContact O-N 2.96Å; E174-V177 WeakPolarHBondContact O-CB 3.26Å; E174-V177 PolarHBondContact O-N 2.87Å; E174-V177 VanDerWaalsContact O-N 3.14Å; L175-V177 PolarHBondContact O-N 2.86Å; V177-L179 VanDerWaalsContact C-N 3.31Å; V177-L179 PolarHBondContact O-N 2.58Å; V177-E180 WeakPolarHBondContact O-CB 3.31Å; V177-E180 PolarHBondContact O-N 3.1Å; V177-E180 VanDerWaalsContact O-N 3.12Å; V177-V181 PolarHBondContact O-N 3.18Å; V177-L246 HydrophobicContact CG1-CD1 3.62Å; V177-L246 HydrophobicContact CG1-CD2 4.13Å; V177-L246 HydrophobicContact CG1-CG 3.57Å; V177-I250 HydrophobicContact CB-CG1 4.36Å; V177-I250 HydrophobicContact CG1-CD1 4.23Å; V177-I250 HydrophobicContact CG1-CG1 3.98Å
178	C	97.3	Very high	96.5	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-55.2	-47.8	172	-60.3	0	0	0	0	111.1	F131 E174 L175 E180 V181 L182 I250	F131-C178 HydrophobicContact CD1-CB 3.72Å; F131-C178 HydrophobicContact CE1-CB 3.44Å; F131-C178 VanDerWaalsContact CE1-CB 3.44Å; F131-C178 VanDerWaalsContact CE1-SG 3.58Å; F131-C178 HydrophobicContact CZ-CB 4.16Å; E174-C178 PolarHBondContact O-N 3.05Å; E174-C178 VanDerWaalsContact O-N 3.1Å; E174-C178 PolarHBondContact O-SG 3.33Å; L175-C178 WeakPolarHBondContact O-CB 3.15Å; L175-C178 PolarHBondContact O-N 3.42Å; L175-C178 VanDerWaalsContact O-N 3.13Å; C178-E180 VanDerWaalsContact C-N 3.28Å; C178-E180 PolarHBondContact O-N 3.11Å; C178-V181 PolarHBondContact O-N 3.38Å; C178-L182 VanDerWaalsContact O-CG 3.22Å; C178-L182 WeakPolarHBondContact O-CG 3.47Å; C178-L182 PolarHBondContact O-N 3.39Å; C178-I250 VanDerWaalsContact SG-CD1 3.58Å
179	L	97.6	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-34.7	178.6	-62.3	-171.7	0	0	0	112.3	F104 R107 I108 L111 F131 T135 L175 V177 L182 S183	F104-L179 HydrophobicContact CE2-CD1 3.97Å; R107-L179 WeakPolarHBondContact CD-O 3.12Å; R107-L179 HydrophobicContact CG-CB 4.47Å; I108-L179 HydrophobicContact CG1-CD1 4.02Å; L111-L179 HydrophobicContact CD1-CB 3.89Å; L111-L179 HydrophobicContact CD1-CD1 4.49Å; L111-L179 HydrophobicContact CD1-CD2 3.67Å; L111-L179 HydrophobicContact CD1-CG 4.19Å; F131-L179 HydrophobicContact CB-CD2 3.96Å; T135-L179 HydrophobicContact CG2-CD1 3.99Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.26Å; V177-L179 VanDerWaalsContact C-N 3.31Å; V177-L179 PolarHBondContact O-N 2.58Å; L179-L182 HydrophobicContact CD2-CD1 4.23Å; L179-S183 PolarHBondContact O-N 3.42Å
180	E	97	Very high	95.9	Very high	46 Å²	46	26.4 Å²	26.4	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-54.1	172.8	-174.9	-178.8	149.6	0	0	110.2	S176 V177 C178 L182 S183 Y184 R242 L246	S176-E180 PolarHBondContact O-N 3.35Å; V177-E180 WeakPolarHBondContact O-CB 3.31Å; V177-E180 PolarHBondContact O-N 3.1Å; V177-E180 VanDerWaalsContact O-N 3.12Å; C178-E180 VanDerWaalsContact C-N 3.28Å; C178-E180 PolarHBondContact O-N 3.11Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 PolarHBondContact O-N 2.97Å; E180-S183 PolarHBondContact O-N 3.1Å; E180-S183 PolarHBondContact O-OG 3.18Å; E180-Y184 HydrophobicContact CG-CD2 4.44Å; E180-Y184 HydrophobicContact CG-CE2 4.17Å; E180-Y184 WeakPolarHBondContact O-CD2 3.34Å; E180-R242 IonicContact OE1-CZ 2.74Å; E180-R242 IonicContact OE1-NH1 3Å; E180-R242 PolarHBondContact OE1-NH1 3.42Å; E180-R242 IonicContact OE1-NH2 3.74Å; E180-L246 HydrophobicContact CG-CD2 4.22Å; E180-L246 WeakPolarHBondContact OE1-CD2 3.38Å
181	V	96.2	Very high	95.4	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-53.5	-49	177.9	175.2	0	0	0	0	111	V177 C178 S183 Y184 L185 L243 L246 L612	V177-V181 PolarHBondContact O-N 3.18Å; C178-V181 PolarHBondContact O-N 3.38Å; V181-S183 VanDerWaalsContact C-N 3.27Å; V181-S183 PolarHBondContact O-N 2.92Å; V181-Y184 PolarHBondContact O-N 3.29Å; V181-Y184 VanDerWaalsContact O-N 3.15Å; V181-L185 PolarHBondContact O-N 3.43Å; V181-L243 HydrophobicContact CG1-CB 4.47Å; V181-L243 HydrophobicContact CG2-CD2 4.46Å; V181-L246 HydrophobicContact CG2-CB 4.42Å; V181-L246 HydrophobicContact CG2-CD2 3.87Å; V181-L246 HydrophobicContact CG2-CG 4.12Å; V181-L612 HydrophobicContact CG1-CD1 3.81Å
182	L	96.6	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-34.9	179.6	-67.2	176.5	0	0	0	113.5	L111 F131 C178 L179 E180 Y184 L185 P186 P609 L612	L111-L182 HydrophobicContact CD2-CB 3.97Å; F131-L182 HydrophobicContact CB-CD1 3.49Å; F131-L182 VanDerWaalsContact CB-CD1 3.49Å; F131-L182 HydrophobicContact CD1-CD1 4.41Å; F131-L182 HydrophobicContact CD2-CD1 3.63Å; F131-L182 HydrophobicContact CE2-CD1 4.47Å; F131-L182 HydrophobicContact CG-CD1 3.58Å; C178-L182 VanDerWaalsContact O-CG 3.22Å; C178-L182 WeakPolarHBondContact O-CG 3.47Å; C178-L182 PolarHBondContact O-N 3.39Å; L179-L182 HydrophobicContact CD2-CD1 4.23Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 PolarHBondContact O-N 2.97Å; L182-Y184 PolarHBondContact O-N 3.39Å; L182-L185 HydrophobicContact CD2-CD1 3.78Å; L182-L185 PolarHBondContact O-N 3.37Å; L182-P186 WeakPolarHBondContact O-CD 3.26Å; L182-P609 HydrophobicContact CD2-CB 3.49Å; L182-P609 VanDerWaalsContact CD2-CB 3.49Å; L182-P609 HydrophobicContact CD2-CG 3.71Å; L182-L612 HydrophobicContact CD2-CD1 3.79Å; L182-L612 HydrophobicContact CG-CD1 4.42Å
183	S	96.5	Very high	94.3	Very high	20 Å²	20	34.5 Å²	34.5	14%	0.14	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-22.6	-179.3	66.7	0	0	0	0	113.6	L179 E180 V181	L179-S183 PolarHBondContact O-N 3.42Å; E180-S183 PolarHBondContact O-N 3.1Å; E180-S183 PolarHBondContact O-OG 3.18Å; V181-S183 VanDerWaalsContact C-N 3.27Å; V181-S183 PolarHBondContact O-N 2.92Å
184	Y	94.7	Very high	94	Very high	93 Å²	93	33 Å²	33	37%	0.365	17%	0.173	S	C	.	.	H	α-helix	trans	-96.7	-19.9	177.5	-73.9	-87.3	0	0	0	113.6	E180 V181 L182 P186 R187 F188 L243	E180-Y184 HydrophobicContact CG-CD2 4.44Å; E180-Y184 HydrophobicContact CG-CE2 4.17Å; E180-Y184 WeakPolarHBondContact O-CD2 3.34Å; V181-Y184 PolarHBondContact O-N 3.29Å; V181-Y184 VanDerWaalsContact O-N 3.15Å; L182-Y184 PolarHBondContact O-N 3.39Å; Y184-P186 VanDerWaalsContact C-N 3.33Å; Y184-R187 WeakPolarHBondContact O-CB 3.34Å; Y184-R187 PolarHBondContact O-N 2.86Å; Y184-F188 WeakPolarHBondContact O-CE2 3.37Å; Y184-L243 VanDerWaalsContact CB-CD1 3.47Å; Y184-L243 HydrophobicContact CD2-CD2 4.25Å; Y184-L243 HydrophobicContact CG-CD1 4.33Å; Y184-L243 HydrophobicContact CG-CD2 4.43Å
185	L	91.2	Very high	93.8	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-50.3	-42.3	-177.1	-74.3	-178.2	0	0	0	114.7	V181 L182 R187 F188 P609 L612	V181-L185 PolarHBondContact O-N 3.43Å; L182-L185 HydrophobicContact CD2-CD1 3.78Å; L182-L185 PolarHBondContact O-N 3.37Å; L185-R187 PolarHBondContact O-N 3Å; L185-F188 PolarHBondContact O-N 2.91Å; L185-P609 HydrophobicContact CD1-CG 3.79Å; L185-L612 HydrophobicContact CD1-CD1 4.33Å
186	P	92	Very high	93.5	Very high	38 Å²	38	32.6 Å²	32.6	25%	0.247	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-52.7	-25.9	177.8	-29.9	36.6	0	0	0	115.3	I114 Y118 L182 Y184 F188	I114-P186 HydrophobicContact CD1-CG 3.64Å; Y118-P186 VanDerWaalsContact OH-CB 3.28Å; Y118-P186 WeakPolarHBondContact OH-CB 3.25Å; Y118-P186 WeakPolarHBondContact OH-CG 3.35Å; L182-P186 WeakPolarHBondContact O-CD 3.26Å; Y184-P186 VanDerWaalsContact C-N 3.33Å; P186-F188 PolarHBondContact O-N 3.05Å
187	R	93.4	Very high	93.2	Very high	93 Å²	93	35.2 Å²	35.2	35%	0.351	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-62.9	-27.1	177.3	-175.4	176.4	174.7	176.2	-1.8	112.7	Y184 L185 R197 D236	Y184-R187 WeakPolarHBondContact O-CB 3.34Å; Y184-R187 PolarHBondContact O-N 2.86Å; L185-R187 PolarHBondContact O-N 3Å; R187-R197 PolarHBondContact O-NH2 3.12Å; R187-D236 IonicContact CZ-OD1 2.97Å; R187-D236 IonicContact NE-OD1 2.94Å; R187-D236 PolarHBondContact NE-OD1 3.45Å; R187-D236 IonicContact NH2-OD1 3.24Å; R187-D236 PolarHBondContact NH2-OD1 3.14Å
188	F	93.6	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-105.7	-4.2	-172.7	-45.8	-67.6	0	0	0	113.1	Y184 L185 P186 R197 F200 D236 E239 F240 L243	Y184-F188 WeakPolarHBondContact O-CE2 3.37Å; L185-F188 PolarHBondContact O-N 2.91Å; P186-F188 PolarHBondContact O-N 3.05Å; F188-R197 WeakPolarHBondContact O-CG 3.34Å; F188-R197 PolarHBondContact O-N 3.44Å; F188-R197 PolarHBondContact O-NE 3.23Å; F188-F200 HydrophobicContact CB-CD2 4.04Å; F188-F200 HydrophobicContact CB-CE2 4.05Å; F188-F200 HydrophobicContact CD1-CD1 4.35Å; F188-F200 AromaticContact CD1-CE1 3.9Å; F188-F200 HydrophobicContact CD1-CE1 3.9Å; F188-F200 HydrophobicContact CD1-CE2 4.17Å; F188-F200 AromaticContact CD1-CZ 3.81Å; F188-F200 HydrophobicContact CD1-CZ 3.81Å; F188-D236 HydrophobicContact CE1-CB 4.29Å; F188-D236 VanDerWaalsContact CE1-O 3.25Å; F188-D236 WeakPolarHBondContact CE1-O 3.29Å; F188-E239 HydrophobicContact CZ-CB 4.15Å; F188-E239 HydrophobicContact CZ-CG 3.91Å; F188-F240 HydrophobicContact CB-CD2 4.02Å; F188-F240 HydrophobicContact CB-CE2 4.36Å; F188-F240 HydrophobicContact CD1-CB 4.1Å; F188-F240 HydrophobicContact CD1-CD2 4.04Å; F188-F240 AromaticContact CD2-CD2 3.8Å; F188-F240 HydrophobicContact CD2-CD2 3.8Å; F188-F240 HydrophobicContact CE1-CB 3.95Å; F188-F240 HydrophobicContact CE2-CD2 4.3Å; F188-F240 AromaticContact CG-CD2 3.65Å; F188-F240 HydrophobicContact CG-CD2 3.65Å; F188-F240 HydrophobicContact CG-CE2 4.41Å; F188-F240 HydrophobicContact CZ-CB 4.24Å; F188-L243 HydrophobicContact CD2-CD1 4.44Å; F188-L243 HydrophobicContact CE2-CD1 3.48Å; F188-L243 VanDerWaalsContact CE2-CD1 3.48Å; F188-L243 HydrophobicContact CZ-CD1 4.11Å
189	T	93.6	Very high	92.1	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.08	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-107.5	161.4	-176.9	74.2	0	0	0	0	111.8	T193 F195	T189-T193 WeakPolarHBondContact CB-O 3.28Å; T189-T193 PolarHBondContact OG1-O 3.47Å; T189-F195 WeakPolarHBondContact CB-O 3.34Å; T189-F195 WeakPolarHBondContact CG2-O 3.27Å
190	K	90.8	Very high	91.6	Very high	120 Å²	120	37.7 Å²	37.7	52%	0.522	19%	0.192	S	C	.	.			trans	-76.8	160	166.5	-66.8	-179.3	-179	177.2	0	109.2	S192 T193 R197	K190-S192 PolarHBondContact O-N 2.47Å; K190-T193 HydrophobicContact CB-CG2 3.77Å; K190-T193 VanDerWaalsContact O-CG2 3.24Å; K190-T193 WeakPolarHBondContact O-CG2 3.39Å; K190-T193 PolarHBondContact O-N 2.92Å; K190-R197 HydrophobicContact CG-CG 3.96Å
191	P	86.9	Confident	91	Very high	121 Å²	121	36.3 Å²	36.3	79%	0.786	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	143	173.3	-26.8	35.1	0	0	0	112.3	T193	P191-T193 PolarHBondContact O-N 3.17Å; P191-T193 VanDerWaalsContact O-N 3.16Å
192	S	84	Confident	90.3	Very high	62 Å²	62	39.7 Å²	39.7	43%	0.434	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-4.9	179.5	-46.7	0	0	0	0	117.5	K190 K817	K190-S192 PolarHBondContact O-N 2.47Å; S192-K817 PolarHBondContact O-NZ 3.05Å
193	T	91	Very high	89.7	Confident	10 Å²	10	40.4 Å²	40.4	6%	0.061	21%	0.208	C	C	.	.			trans	-115.5	145.8	176.2	-172	0	0	0	0	111.5	Y118 T189 K190 P191 F195 E814	Y118-T193 WeakPolarHBondContact CE1-O 3.42Å; T189-T193 WeakPolarHBondContact CB-O 3.28Å; T189-T193 PolarHBondContact OG1-O 3.47Å; K190-T193 HydrophobicContact CB-CG2 3.77Å; K190-T193 VanDerWaalsContact O-CG2 3.24Å; K190-T193 WeakPolarHBondContact O-CG2 3.39Å; K190-T193 PolarHBondContact O-N 2.92Å; P191-T193 PolarHBondContact O-N 3.17Å; P191-T193 VanDerWaalsContact O-N 3.16Å; T193-F195 PolarHBondContact OG1-N 3.17Å; T193-E814 WeakPolarHBondContact CB-OE1 3.3Å; T193-E814 PolarHBondContact OG1-OE1 3.13Å; T193-E814 PolarHBondContact OG1-OE2 3.23Å
194	L	91.5	Very high	89.1	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.204	C	C	.	.			trans	-101.1	-2.3	174.7	-74.2	171.5	0	0	0	112.7	Y118 N126 I128 P609	Y118-L194 HydrophobicContact CD1-CD1 4.36Å; Y118-L194 HydrophobicContact CD1-CD2 3.52Å; Y118-L194 HydrophobicContact CD1-CG 3.53Å; Y118-L194 HydrophobicContact CD2-CD2 3.87Å; Y118-L194 HydrophobicContact CD2-CG 4.41Å; Y118-L194 HydrophobicContact CE1-CD2 3.62Å; Y118-L194 HydrophobicContact CE1-CG 4.09Å; Y118-L194 HydrophobicContact CE2-CD2 3.97Å; Y118-L194 HydrophobicContact CG-CD1 4.06Å; Y118-L194 HydrophobicContact CG-CD2 3.63Å; Y118-L194 HydrophobicContact CG-CG 3.7Å; N126-L194 HydrophobicContact CB-CD1 4Å; I128-L194 HydrophobicContact CD1-CD2 4.07Å; L194-P609 HydrophobicContact CB-CG 4.19Å; L194-P609 HydrophobicContact CD1-CB 4.35Å; L194-P609 HydrophobicContact CD1-CG 3.74Å; L194-P609 HydrophobicContact CD2-CG 3.75Å; L194-P609 HydrophobicContact CG-CG 4.08Å
195	F	93.3	Very high	88.7	Confident	5 Å²	5	40 Å²	40	2%	0.022	21%	0.208	C	C	.	.	S	Bend	trans	-80.6	132.6	171.5	-75.8	-79.1	0	0	0	110.3	T189 T193 L602 T606 Y785 E814	T189-F195 WeakPolarHBondContact CB-O 3.34Å; T189-F195 WeakPolarHBondContact CG2-O 3.27Å; T193-F195 PolarHBondContact OG1-N 3.17Å; F195-L602 HydrophobicContact CD1-CD2 3.88Å; F195-L602 HydrophobicContact CE1-CD2 3.67Å; F195-L602 HydrophobicContact CZ-CD2 4.48Å; F195-T606 HydrophobicContact CD1-CG2 3.67Å; F195-T606 HydrophobicContact CE1-CG2 4.32Å; F195-Y785 HydrophobicContact CD2-CE1 4.18Å; F195-Y785 HydrophobicContact CG-CE1 4.39Å; F195-E814 HydrophobicContact CD2-CB 4.01Å; F195-E814 HydrophobicContact CD2-CG 3.78Å; F195-E814 HydrophobicContact CE2-CB 3.72Å; F195-E814 HydrophobicContact CE2-CG 3.99Å
196	P	92.3	Very high	88.6	Confident	7 Å²	7	42.9 Å²	42.9	5%	0.045	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-55.2	150.4	172.2	-25.1	31.7	0	0	0	112.1	F200 V201 F240 T606 P607	P196-F200 HydrophobicContact CB-CB 4.42Å; P196-V201 HydrophobicContact CB-CG1 3.77Å; P196-V201 HydrophobicContact CB-CG2 4.46Å; P196-V201 HydrophobicContact CG-CG1 4Å; P196-F240 HydrophobicContact CB-CE2 4.19Å; P196-F240 HydrophobicContact CB-CZ 4.42Å; P196-F240 HydrophobicContact CG-CE2 4.04Å; P196-F240 HydrophobicContact CG-CZ 4.25Å; P196-T606 HydrophobicContact CG-CG2 4.29Å; P196-P607 WeakPolarHBondContact CD-O 3.48Å; P196-P607 HydrophobicContact CG-CG 3.86Å; P196-P607 WeakPolarHBondContact CG-O 3.45Å
197	R	91.1	Very high	88.3	Confident	66 Å²	66	41.7 Å²	41.7	25%	0.249	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-59	147.7	168.7	-69.9	177.5	-81.4	165.2	-9.5	110.4	R187 F188 K190 E199 F200	R187-R197 PolarHBondContact O-NH2 3.12Å; F188-R197 WeakPolarHBondContact O-CG 3.34Å; F188-R197 PolarHBondContact O-N 3.44Å; F188-R197 PolarHBondContact O-NE 3.23Å; K190-R197 HydrophobicContact CG-CG 3.96Å; R197-E199 HydrophobicContact CB-CG 3.99Å; R197-E199 IonicContact CZ-OE1 3.32Å; R197-E199 VanDerWaalsContact CZ-OE1 3.3Å; R197-E199 IonicContact NE-OE1 3.39Å; R197-E199 IonicContact NH1-OE1 2.97Å; R197-E199 PolarHBondContact NH1-OE1 2.8Å; R197-E199 PolarHBondContact O-N 2.73Å; R197-E199 VanDerWaalsContact O-N 3.1Å; R197-F200 HydrophobicContact CB-CD2 3.99Å; R197-F200 HydrophobicContact CB-CE2 4.24Å; R197-F200 PolarHBondContact O-N 3.23Å
198	S	86.3	Confident	87.7	Confident	19 Å²	19	43.2 Å²	43.2	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-48.5	-38.9	179.9	36.5	0	0	0	0	112.9	F200 V201 D202 L203	S198-F200 PolarHBondContact O-N 3.33Å; S198-F200 VanDerWaalsContact O-N 3.15Å; S198-V201 PolarHBondContact O-N 2.78Å; S198-D202 PolarHBondContact O-N 3.23Å; S198-L203 WeakPolarHBondContact CB-O 3.3Å
199	E	84.3	Confident	87.2	Confident	62 Å²	62	43.4 Å²	43.4	29%	0.29	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-16.8	-179.9	66.2	-131.7	-138.9	0	0	116	R197	R197-E199 HydrophobicContact CB-CG 3.99Å; R197-E199 IonicContact CZ-OE1 3.32Å; R197-E199 VanDerWaalsContact CZ-OE1 3.3Å; R197-E199 IonicContact NE-OE1 3.39Å; R197-E199 IonicContact NH1-OE1 2.97Å; R197-E199 PolarHBondContact NH1-OE1 2.8Å; R197-E199 PolarHBondContact O-N 2.73Å; R197-E199 VanDerWaalsContact O-N 3.1Å
200	F	87.4	Confident	86.3	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-97.3	-23.4	177.6	-64.9	-73.3	0	0	0	113.4	F188 P196 R197 S198 D236 L237 F240 R763	F188-F200 HydrophobicContact CB-CD2 4.04Å; F188-F200 HydrophobicContact CB-CE2 4.05Å; F188-F200 HydrophobicContact CD1-CD1 4.35Å; F188-F200 AromaticContact CD1-CE1 3.9Å; F188-F200 HydrophobicContact CD1-CE1 3.9Å; F188-F200 HydrophobicContact CD1-CE2 4.17Å; F188-F200 AromaticContact CD1-CZ 3.81Å; F188-F200 HydrophobicContact CD1-CZ 3.81Å; P196-F200 HydrophobicContact CB-CB 4.42Å; R197-F200 HydrophobicContact CB-CD2 3.99Å; R197-F200 HydrophobicContact CB-CE2 4.24Å; R197-F200 PolarHBondContact O-N 3.23Å; S198-F200 PolarHBondContact O-N 3.33Å; S198-F200 VanDerWaalsContact O-N 3.15Å; F200-D236 HydrophobicContact CE1-CB 3.99Å; F200-D236 HydrophobicContact CZ-CB 3.98Å; F200-L237 HydrophobicContact CD1-CD1 3.8Å; F200-L237 HydrophobicContact CE1-CD1 4.3Å; F200-F240 HydrophobicContact CB-CD1 4.08Å; F200-F240 HydrophobicContact CB-CD2 4.26Å; F200-F240 HydrophobicContact CB-CE1 4Å; F200-F240 HydrophobicContact CB-CE2 4.17Å; F200-F240 HydrophobicContact CB-CG 4.21Å; F200-F240 HydrophobicContact CB-CZ 4.04Å; F200-F240 HydrophobicContact CD1-CB 3.97Å; F200-F240 HydrophobicContact CD1-CD1 4.37Å; F200-F240 HydrophobicContact CD1-CD2 4.38Å; F200-F240 AromaticContact CD1-CG 3.99Å; F200-F240 HydrophobicContact CD1-CG 3.99Å; F200-F240 HydrophobicContact CE1-CB 4.43Å; F200-F240 HydrophobicContact CG-CD2 4.36Å; F200-F240 HydrophobicContact CG-CG 4.33Å; F200-R763 PolarHBondContact O-NH2 2.79Å; F200-R763 VanDerWaalsContact O-NH2 3.15Å
201	V	85.3	Confident	85.7	Confident	16 Å²	16	40.6 Å²	40.6	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-123.2	8.7	-168.7	-64.6	0	0	0	0	113.5	P196 S198 L203 F240 T606	P196-V201 HydrophobicContact CB-CG1 3.77Å; P196-V201 HydrophobicContact CB-CG2 4.46Å; P196-V201 HydrophobicContact CG-CG1 4Å; S198-V201 PolarHBondContact O-N 2.78Å; V201-L203 HydrophobicContact CG2-CB 4.05Å; V201-L203 HydrophobicContact CG2-CD1 3.93Å; V201-L203 HydrophobicContact CG2-CG 3.92Å; V201-L203 PolarHBondContact O-N 2.86Å; V201-L203 VanDerWaalsContact O-N 3.14Å; V201-F240 HydrophobicContact CG1-CE1 4.34Å; V201-F240 HydrophobicContact CG1-CZ 3.86Å; V201-T606 HydrophobicContact CG1-CG2 4.24Å; V201-T606 HydrophobicContact CG2-CG2 4.27Å
202	D	80.4	Confident	85	Confident	76 Å²	76	39.8 Å²	39.8	41%	0.406	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.7	176.1	-51.2	-58	0	0	0	113.3	S198 R763	S198-D202 PolarHBondContact O-N 3.23Å; D202-R763 IonicContact OD2-CZ 3.98Å; D202-R763 IonicContact OD2-NH1 3.35Å; D202-R763 IonicContact OD2-NH2 4Å; D202-R763 PolarHBondContact OD2-NH2 3.3Å
203	L	84.2	Confident	84	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.073	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-99.5	150.8	176.7	-75.7	-177.1	0	0	0	111.4	S198 V201 L602 T606 Q778 L786	S198-L203 WeakPolarHBondContact CB-O 3.3Å; V201-L203 HydrophobicContact CG2-CB 4.05Å; V201-L203 HydrophobicContact CG2-CD1 3.93Å; V201-L203 HydrophobicContact CG2-CG 3.92Å; V201-L203 PolarHBondContact O-N 2.86Å; V201-L203 VanDerWaalsContact O-N 3.14Å; L203-L602 HydrophobicContact CD1-CD1 4Å; L203-L602 HydrophobicContact CD1-CD2 3.98Å; L203-L602 HydrophobicContact CD1-CG 4.45Å; L203-T606 HydrophobicContact CD1-CG2 4.36Å; L203-T606 WeakPolarHBondContact CD1-OG1 3.38Å; L203-Q778 HydrophobicContact CD2-CG 3.71Å; L203-L786 HydrophobicContact CD2-CD1 4.3Å
204	P	84	Confident	82.4	Confident	9 Å²	9	45 Å²	45	6%	0.058	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-56.2	155.5	165.4	-24	34.4	0	0	0	112.3	I206 C209 D215 Q778 L786	P204-I206 PolarHBondContact O-N 3.39Å; P204-C209 WeakPolarHBondContact CB-SG 3.45Å; P204-C209 VanDerWaalsContact CG-SG 3.57Å; P204-D215 HydrophobicContact CG-CB 4.17Å; P204-D215 WeakPolarHBondContact CG-OD2 3.49Å; P204-Q778 HydrophobicContact CG-CB 3.96Å; P204-L786 HydrophobicContact CG-CD1 4.45Å
205	E	87.1	Confident	80.7	Confident	95 Å²	95	46.9 Å²	46.9	44%	0.444	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-63.7	132.2	173.4	-67	-168.5	147.6	0	0	110.9	G207 H208	E205-G207 PolarHBondContact O-N 2.75Å; E205-H208 HydrophobicContact CB-CB 4.27Å; E205-H208 PolarHBondContact O-N 3.18Å; E205-H208 IonicContact OE2-CD2 2.74Å; E205-H208 IonicContact OE2-NE2 3.81Å
206	I	87.4	Confident	78.6	Confident	67 Å²	67	51.4 Å²	51.4	34%	0.344	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	126.6	175.9	-64	153.5	0	0	0	109	P204 Y785 L786	P204-I206 PolarHBondContact O-N 3.39Å; I206-Y785 HydrophobicContact CD1-CE1 3.64Å; I206-Y785 WeakPolarHBondContact CD1-OH 3.29Å; I206-Y785 HydrophobicContact CG1-CD1 4.42Å; I206-Y785 HydrophobicContact CG1-CE1 3.72Å; I206-Y785 HydrophobicContact CG2-CE1 4.35Å; I206-Y785 HydrophobicContact CG2-CE2 4.31Å; I206-L786 HydrophobicContact CG1-CD2 4.14Å
207	G	86.3	Confident	76.4	Confident	13 Å²	13	57.7 Å²	57.7	13%	0.134	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	1.2	-180	0	0	0	0	0	115.4	E205 L786 A787 S788	E205-G207 PolarHBondContact O-N 2.75Å; G207-L786 PolarHBondContact N-O 3.32Å; G207-A787 WeakPolarHBondContact CA-O 3.25Å; G207-S788 WeakPolarHBondContact O-CA 3.26Å
208	H	81.4	Confident	74.1	Confident	125 Å²	125	56.4 Å²	56.4	58%	0.579	29%	0.291	S	S	*	.			trans	-115.5	-6.1	-178.3	-67.6	-79.5	0	0	0	114.7	E205 D210	E205-H208 HydrophobicContact CB-CB 4.27Å; E205-H208 PolarHBondContact O-N 3.18Å; E205-H208 IonicContact OE2-CD2 2.74Å; E205-H208 IonicContact OE2-NE2 3.81Å; H208-D210 PolarHBondContact O-N 3.32Å
209	C	81.8	Confident	71.9	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.034	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-72.2	117.8	173.8	-70.3	0	0	0	0	110.9	P204 L786 S788	P204-C209 WeakPolarHBondContact CB-SG 3.45Å; P204-C209 VanDerWaalsContact CG-SG 3.57Å; C209-L786 HydrophobicContact CB-CB 4.18Å; C209-L786 WeakPolarHBondContact CB-O 3.15Å; C209-L786 PolarHBondContact N-O 3.09Å; C209-S788 PolarHBondContact O-N 3.33Å; C209-S788 VanDerWaalsContact O-N 3.15Å
210	D	75.5	Confident	69.6	Low	68 Å²	68	64 Å²	64	36%	0.364	32%	0.324	S	S	.	.			trans	-67.6	142.9	161.8	-176	0.6	0	0	0	109.1	H208 N212	H208-D210 PolarHBondContact O-N 3.32Å; D210-N212 VanDerWaalsContact C-N 3.32Å; D210-N212 PolarHBondContact OD1-N 2.97Å; D210-N212 PolarHBondContact OD1-ND2 3.24Å
211	V	79	Confident	67.2	Low	6 Å²	6	67.3 Å²	67.3	4%	0.036	34%	0.341	C	S	.	.	S	Bend	trans	-77.2	-20.3	176	-64.8	0	0	0	0	112.3	M580 R584 N779 F781 M791	V211-M580 HydrophobicContact CG1-CE 3.99Å; V211-R584 HydrophobicContact CG2-CG 4.2Å; V211-N779 PolarHBondContact O-ND2 3.43Å; V211-N779 PolarHBondContact O-OD1 3.24Å; V211-F781 HydrophobicContact CB-CD2 3.9Å; V211-F781 HydrophobicContact CB-CE1 4.48Å; V211-F781 HydrophobicContact CB-CE2 3.53Å; V211-F781 HydrophobicContact CB-CZ 3.84Å; V211-F781 HydrophobicContact CG1-CE2 4.35Å; V211-F781 HydrophobicContact CG1-CZ 4.34Å; V211-F781 HydrophobicContact CG2-CE2 4.12Å; V211-F781 HydrophobicContact CG2-CZ 4.19Å; V211-F781 WeakPolarHBondContact O-CD2 3.46Å; V211-F781 WeakPolarHBondContact O-CE2 3.44Å; V211-M791 HydrophobicContact CB-CE 4.39Å; V211-M791 HydrophobicContact CG1-CE 3.93Å; V211-M791 HydrophobicContact CG1-CG 3.95Å; V211-M791 HydrophobicContact CG1-SD 4.37Å; V211-M791 HydrophobicContact CG2-CE 3.58Å
212	N	71	Confident	64.8	Low	103 Å²	103	70.2 Å²	70.2	55%	0.551	36%	0.359	S	S	*	.	S	Bend	trans	-90	-20.9	-177.3	-61.2	-51.2	0	0	0	113.9	D210 R584	D210-N212 VanDerWaalsContact C-N 3.32Å; D210-N212 PolarHBondContact OD1-N 2.97Å; D210-N212 PolarHBondContact OD1-ND2 3.24Å; N212-R584 WeakPolarHBondContact OD1-CD 3.27Å
213	T	62.3	Low	62.8	Low	76 Å²	76	72.6 Å²	72.6	47%	0.466	37%	0.372	S	S	.	.	S	Bend	trans	-109.1	144.3	-178.6	59.6	0	0	0	0	110.7	N779	T213-N779 PolarHBondContact O-ND2 2.94Å
214	F	58.2	Low	60.5	Low	107 Å²	107	76.2 Å²	76.2	47%	0.469	40%	0.404	S	S	.	.			trans	-84.1	126.9	164.9	-69.5	-90	0	0	0	107.9	D216 Y534 I777 N779	F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 3.49Å; F214-D216 VanDerWaalsContact O-N 3.16Å; F214-Y534 HydrophobicContact CE1-CD1 4.41Å; F214-Y534 AromaticContact CE1-CE1 3.77Å; F214-Y534 HydrophobicContact CE1-CE1 3.77Å; F214-Y534 HydrophobicContact CZ-CE1 4.21Å; F214-I777 HydrophobicContact CB-CG2 3.87Å; F214-I777 HydrophobicContact CD1-CG2 3.63Å; F214-I777 HydrophobicContact CG-CG2 4.22Å; F214-N779 HydrophobicContact CD1-CB 4.48Å
215	D	56.3	Low	58.2	Low	44 Å²	44	78.1 Å²	78.1	24%	0.235	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-85.3	83.3	170.5	-146.4	13.3	0	0	0	107	P204 K217 Q778	P204-D215 HydrophobicContact CG-CB 4.17Å; P204-D215 WeakPolarHBondContact CG-OD2 3.49Å; D215-K217 VanDerWaalsContact CG-O 3.29Å; D215-K217 PolarHBondContact O-N 3.25Å; D215-Q778 PolarHBondContact N-O 2.64Å; D215-Q778 VanDerWaalsContact N-O 3.15Å
216	D	48.5	Very low	56.1	Low	101 Å²	101	78.6 Å²	78.6	54%	0.54	43%	0.43	S	S	.	.	S	Bend	trans	-71	-14.5	-179.9	-72.5	-18.4	0	0	0	112.4	F214 I777	F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 3.49Å; F214-D216 VanDerWaalsContact O-N 3.16Å; D216-I777 WeakPolarHBondContact OD1-CG2 3.43Å
217	K	46.3	Very low	54.1	Low	139 Å²	139	79.9 Å²	79.9	60%	0.604	44%	0.442	S	S	*	.	S	Bend	trans	-134.4	127.6	171.4	-65.2	179.8	-179.9	178.6	0	105.6	D215 K219	D215-K217 VanDerWaalsContact CG-O 3.29Å; D215-K217 PolarHBondContact O-N 3.25Å; K217-K219 PolarHBondContact O-N 3.3Å
218	P	43.1	Very low	52.3	Low	38 Å²	38	87 Å²	87	25%	0.247	48%	0.475	C	S	.	.			trans	-53.8	121	159.9	25.8	-26.7	0	0	0	103.5	N220	P218-N220 WeakPolarHBondContact O-CA 3.48Å; P218-N220 PolarHBondContact O-N 3.21Å
219	K	40	Very low	51.3	Low	164 Å²	164	84.5 Å²	84.5	71%	0.713	46%	0.462	S	S	*	.			trans	-33.2	112	178.5	-79.9	179.8	-178.6	171.9	0	106.6	K217 I221	K217-K219 PolarHBondContact O-N 3.3Å; K219-I221 PolarHBondContact O-N 3.13Å
220	N	35.1	Very low	51.2	Low	76 Å²	76	87.3 Å²	87.3	41%	0.406	48%	0.482	S	S	.	.			trans	-52.4	98.1	-173.1	-104.3	-4.3	0	0	0	106.1	P218 T222 D223 A224	P218-N220 WeakPolarHBondContact O-CA 3.48Å; P218-N220 PolarHBondContact O-N 3.21Å; N220-T222 WeakPolarHBondContact CB-OG1 3.35Å; N220-T222 VanDerWaalsContact CG-OG1 3.23Å; N220-T222 PolarHBondContact O-N 2.9Å; N220-D223 HydrophobicContact CB-CB 4.46Å; N220-D223 PolarHBondContact O-N 3.32Å; N220-A224 PolarHBondContact O-N 3.05Å
221	I	37.4	Very low	51.7	Low	72 Å²	72	91.6 Å²	91.6	37%	0.369	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-15	170.9	-69.3	177.1	0	0	0	106.9	K219 D223 C225	K219-I221 PolarHBondContact O-N 3.13Å; I221-D223 PolarHBondContact O-N 3.46Å; I221-C225 HydrophobicContact CG2-CB 3.48Å; I221-C225 VanDerWaalsContact CG2-CB 3.48Å; I221-C225 CarbonylContact O-C 3.41Å; I221-C225 WeakPolarHBondContact O-CA 3.46Å; I221-C225 WeakPolarHBondContact O-CB 3.4Å; I221-C225 PolarHBondContact O-N 3.06Å
222	T	35.5	Very low	52.1	Low	77 Å²	77	96 Å²	96	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-58.4	-29.9	165.9	59.4	0	0	0	0	114.1	N220	N220-T222 WeakPolarHBondContact CB-OG1 3.35Å; N220-T222 VanDerWaalsContact CG-OG1 3.23Å; N220-T222 PolarHBondContact O-N 2.9Å
223	D	37.7	Very low	52.8	Low	126 Å²	126	92.3 Å²	92.3	67%	0.674	50%	0.497	S	S	*	.	H	α-helix	trans	-95.2	-33.9	-177.1	-62.8	-8.4	0	0	0	111.9	N220 I221	N220-D223 HydrophobicContact CB-CB 4.46Å; N220-D223 PolarHBondContact O-N 3.32Å; I221-D223 PolarHBondContact O-N 3.46Å
224	A	36.1	Very low	54.1	Low	90 Å²	90	92 Å²	92	74%	0.744	49%	0.491	S	S	*	.	H	α-helix	trans	-85.3	-22.7	174.6	0	0	0	0	0	113.5	N220	N220-A224 PolarHBondContact O-N 3.05Å
225	C	37.1	Very low	55.7	Low	48 Å²	48	91.1 Å²	91.1	32%	0.324	49%	0.488	S	S	.	.			trans	-122.7	56.9	178.3	-151.6	0	0	0	0	108.8	I221 T227	I221-C225 HydrophobicContact CG2-CB 3.48Å; I221-C225 VanDerWaalsContact CG2-CB 3.48Å; I221-C225 CarbonylContact O-C 3.41Å; I221-C225 WeakPolarHBondContact O-CA 3.46Å; I221-C225 WeakPolarHBondContact O-CB 3.4Å; I221-C225 PolarHBondContact O-N 3.06Å; C225-T227 PolarHBondContact O-N 2.88Å; C225-T227 VanDerWaalsContact SG-CB 3.56Å; C225-T227 PolarHBondContact SG-OG1 3.49Å; C225-T227 VanDerWaalsContact SG-OG1 3.38Å
226	S	41.8	Very low	57.4	Low	105 Å²	105	89.8 Å²	89.8	73%	0.734	48%	0.481	S	S	*	.			trans	-64.3	2.6	149.4	53.8	0	0	0	0	111.8	I228	S226-I228 PolarHBondContact O-N 3.26Å; S226-I228 VanDerWaalsContact O-N 3.13Å
227	T	46.8	Very low	59.4	Low	95 Å²	95	85.5 Å²	85.5	58%	0.583	46%	0.458	S	S	*	.	S	Bend	trans	-58.3	113	160.3	-27.5	0	0	0	0	107.9	C225 K229	C225-T227 PolarHBondContact O-N 2.88Å; C225-T227 VanDerWaalsContact SG-CB 3.56Å; C225-T227 PolarHBondContact SG-OG1 3.49Å; C225-T227 VanDerWaalsContact SG-OG1 3.38Å; T227-K229 PolarHBondContact O-N 3.15Å
228	I	47.7	Very low	61.6	Low	161 Å²	161	82.2 Å²	82.2	83%	0.826	45%	0.452	S	S	*	.			trans	-31.8	102.6	170.1	-61	164.4	0	0	0	108.7	S226 S230	S226-I228 PolarHBondContact O-N 3.26Å; S226-I228 VanDerWaalsContact O-N 3.13Å; I228-S230 PolarHBondContact O-N 2.93Å
229	K	59.9	Low	64	Low	73 Å²	73	81.9 Å²	81.9	32%	0.317	45%	0.447	S	S	.	.			trans	-56.9	115.5	176.2	-80.1	178.1	166	-156	0	105.9	T227 H233	T227-K229 PolarHBondContact O-N 3.15Å; K229-H233 PolarHBondContact NZ-NE2 3.24Å
230	S	79.6	Confident	66.5	Low	65 Å²	65	74.2 Å²	74.2	46%	0.455	41%	0.414	S	S	.	.			trans	-55.8	151.5	-173.9	67.8	0	0	0	0	110.4	I228 Q232 H233 E234	I228-S230 PolarHBondContact O-N 2.93Å; S230-Q232 PolarHBondContact O-N 3.22Å; S230-H233 WeakPolarHBondContact O-CB 3.32Å; S230-H233 PolarHBondContact O-N 3.21Å; S230-H233 PolarHBondContact OG-N 3.24Å; S230-E234 PolarHBondContact O-N 3.15Å
231	K	86	Confident	69.1	Low	158 Å²	158	72 Å²	72	69%	0.687	40%	0.4	S	S	*	.	H	α-helix	trans	-48.6	-35.8	172.6	-173.5	-178.4	175.8	-172.5	0	112.2	H233 E234 E235	K231-H233 PolarHBondContact O-N 3.01Å; K231-E234 PolarHBondContact O-N 3.38Å; K231-E235 VanDerWaalsContact CE-OE1 3.29Å; K231-E235 WeakPolarHBondContact CE-OE1 3.5Å; K231-E235 WeakPolarHBondContact O-CG 3.26Å; K231-E235 PolarHBondContact O-N 3.15Å; K231-E235 VanDerWaalsContact O-N 3.14Å
232	Q	87.3	Confident	71.7	Confident	97 Å²	97	72.9 Å²	72.9	45%	0.453	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-39.8	175	-175.2	62.5	41.9	0	0	113.3	S230 E235 D236	S230-Q232 PolarHBondContact O-N 3.22Å; Q232-E235 PolarHBondContact O-N 3.4Å; Q232-D236 PolarHBondContact NE2-OD1 2.74Å; Q232-D236 WeakPolarHBondContact O-CB 3.4Å; Q232-D236 VanDerWaalsContact O-CG 3.27Å; Q232-D236 PolarHBondContact O-N 3.2Å
233	H	87.3	Confident	74.4	Confident	27 Å²	27	69.5 Å²	69.5	13%	0.125	38%	0.378	C	S	.	.	H	α-helix	trans	-66.6	-39.5	179.2	176.1	80.7	0	0	0	111.8	K229 S230 K231 E235 D236 L237	K229-H233 PolarHBondContact NZ-NE2 3.24Å; S230-H233 WeakPolarHBondContact O-CB 3.32Å; S230-H233 PolarHBondContact O-N 3.21Å; S230-H233 PolarHBondContact OG-N 3.24Å; K231-H233 PolarHBondContact O-N 3.01Å; H233-E235 VanDerWaalsContact C-N 3.35Å; H233-D236 PolarHBondContact O-N 2.87Å; H233-L237 VanDerWaalsContact O-CB 3.31Å; H233-L237 WeakPolarHBondContact O-CB 3.22Å; H233-L237 PolarHBondContact O-N 3.18Å
234	E	88.2	Confident	76.8	Confident	70 Å²	70	63.9 Å²	63.9	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-40.3	175.3	-64.8	-173.6	155.4	0	0	111.6	S230 K231 L237 S238	S230-E234 PolarHBondContact O-N 3.15Å; K231-E234 PolarHBondContact O-N 3.38Å; E234-L237 PolarHBondContact O-N 2.64Å; E234-S238 WeakPolarHBondContact O-CB 3.38Å; E234-S238 PolarHBondContact O-N 3.39Å
235	E	91.9	Very high	79.4	Confident	87 Å²	87	62.1 Å²	62.1	41%	0.407	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-43.7	174.9	-71.3	175.9	-168.3	0	0	112.2	K231 Q232 H233 S238 E239	K231-E235 VanDerWaalsContact CE-OE1 3.29Å; K231-E235 WeakPolarHBondContact CE-OE1 3.5Å; K231-E235 WeakPolarHBondContact O-CG 3.26Å; K231-E235 PolarHBondContact O-N 3.15Å; K231-E235 VanDerWaalsContact O-N 3.14Å; Q232-E235 PolarHBondContact O-N 3.4Å; H233-E235 VanDerWaalsContact C-N 3.35Å; E235-S238 PolarHBondContact O-N 3.15Å; E235-E239 WeakPolarHBondContact O-CB 3.29Å; E235-E239 PolarHBondContact O-N 3.34Å
236	D	92.5	Very high	82	Confident	16 Å²	16	61.4 Å²	61.4	9%	0.086	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-43.7	175.5	-73.5	-10.9	0	0	0	111.3	R187 F188 F200 Q232 H233 E239 F240	R187-D236 IonicContact CZ-OD1 2.97Å; R187-D236 IonicContact NE-OD1 2.94Å; R187-D236 PolarHBondContact NE-OD1 3.45Å; R187-D236 IonicContact NH2-OD1 3.24Å; R187-D236 PolarHBondContact NH2-OD1 3.14Å; F188-D236 HydrophobicContact CE1-CB 4.29Å; F188-D236 VanDerWaalsContact CE1-O 3.25Å; F188-D236 WeakPolarHBondContact CE1-O 3.29Å; F200-D236 HydrophobicContact CE1-CB 3.99Å; F200-D236 HydrophobicContact CZ-CB 3.98Å; Q232-D236 PolarHBondContact NE2-OD1 2.74Å; Q232-D236 WeakPolarHBondContact O-CB 3.4Å; Q232-D236 VanDerWaalsContact O-CG 3.27Å; Q232-D236 PolarHBondContact O-N 3.2Å; H233-D236 PolarHBondContact O-N 2.87Å; D236-E239 PolarHBondContact O-N 3.15Å; D236-F240 WeakPolarHBondContact O-CB 3.48Å; D236-F240 PolarHBondContact O-N 2.73Å
237	L	90.4	Very high	84.4	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-41.8	179.7	-170.1	63.5	0	0	0	111.7	F200 H233 E234 E239 F240 Y241 P761	F200-L237 HydrophobicContact CD1-CD1 3.8Å; F200-L237 HydrophobicContact CE1-CD1 4.3Å; H233-L237 VanDerWaalsContact O-CB 3.31Å; H233-L237 WeakPolarHBondContact O-CB 3.22Å; H233-L237 PolarHBondContact O-N 3.18Å; E234-L237 PolarHBondContact O-N 2.64Å; L237-E239 VanDerWaalsContact C-N 3.32Å; L237-E239 PolarHBondContact O-N 2.92Å; L237-F240 PolarHBondContact O-N 3.46Å; L237-Y241 HydrophobicContact CD1-CE1 3.83Å; L237-Y241 HydrophobicContact CD1-CE2 4.08Å; L237-Y241 WeakPolarHBondContact CD1-OH 3.39Å; L237-Y241 HydrophobicContact CD2-CE2 4.2Å; L237-Y241 HydrophobicContact CG-CD2 4.4Å; L237-Y241 HydrophobicContact CG-CE1 4.36Å; L237-Y241 HydrophobicContact CG-CE2 3.72Å; L237-Y241 WeakPolarHBondContact O-CD2 3.19Å; L237-Y241 PolarHBondContact O-N 3.46Å; L237-Y241 VanDerWaalsContact O-N 3.09Å; L237-P761 HydrophobicContact CD2-CG 4.05Å; L237-P761 HydrophobicContact CG-CG 4.46Å
238	S	91.5	Very high	86.3	Confident	69 Å²	69	53.1 Å²	53.1	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-42.1	173.8	-175.9	0	0	0	0	111.8	E234 E235 R242	E234-S238 WeakPolarHBondContact O-CB 3.38Å; E234-S238 PolarHBondContact O-N 3.39Å; E235-S238 PolarHBondContact O-N 3.15Å; S238-R242 PolarHBondContact O-N 2.93Å
239	E	93.8	Very high	88.3	Confident	32 Å²	32	48.7 Å²	48.7	15%	0.15	25%	0.248	C	C	.	.	H	α-helix	trans	-69.2	-39.8	178.4	-175.6	60.9	-169.3	0	0	111.9	F188 E235 D236 L237 Y241 R242 L243	F188-E239 HydrophobicContact CZ-CB 4.15Å; F188-E239 HydrophobicContact CZ-CG 3.91Å; E235-E239 WeakPolarHBondContact O-CB 3.29Å; E235-E239 PolarHBondContact O-N 3.34Å; D236-E239 PolarHBondContact O-N 3.15Å; L237-E239 VanDerWaalsContact C-N 3.32Å; L237-E239 PolarHBondContact O-N 2.92Å; E239-Y241 VanDerWaalsContact C-N 3.33Å; E239-Y241 PolarHBondContact O-N 2.86Å; E239-R242 VanDerWaalsContact CD-NE 3.28Å; E239-R242 WeakPolarHBondContact O-CB 3.36Å; E239-R242 PolarHBondContact O-N 3.41Å; E239-R242 VanDerWaalsContact O-N 3.15Å; E239-R242 IonicContact OE1-CZ 2.81Å; E239-R242 VanDerWaalsContact OE1-CZ 3.24Å; E239-R242 IonicContact OE1-NE 3.42Å; E239-R242 PolarHBondContact OE1-NE 3.2Å; E239-R242 IonicContact OE1-NH2 3.25Å; E239-R242 PolarHBondContact OE1-NH2 3.29Å; E239-R242 WeakPolarHBondContact OE2-CD 3.45Å; E239-R242 IonicContact OE2-CZ 2.71Å; E239-R242 IonicContact OE2-NE 2.64Å; E239-R242 PolarHBondContact OE2-NE 3.21Å; E239-L243 WeakPolarHBondContact O-CG 3.32Å; E239-L243 PolarHBondContact O-N 3.45Å; E239-L243 VanDerWaalsContact O-N 3.07Å
240	F	92.5	Very high	89.9	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-47.5	174.8	-174.4	-98.8	0	0	0	111.2	F188 P196 F200 V201 D236 L237 R242 L243 E244 P607	F188-F240 HydrophobicContact CB-CD2 4.02Å; F188-F240 HydrophobicContact CB-CE2 4.36Å; F188-F240 HydrophobicContact CD1-CB 4.1Å; F188-F240 HydrophobicContact CD1-CD2 4.04Å; F188-F240 AromaticContact CD2-CD2 3.8Å; F188-F240 HydrophobicContact CD2-CD2 3.8Å; F188-F240 HydrophobicContact CE1-CB 3.95Å; F188-F240 HydrophobicContact CE2-CD2 4.3Å; F188-F240 AromaticContact CG-CD2 3.65Å; F188-F240 HydrophobicContact CG-CD2 3.65Å; F188-F240 HydrophobicContact CG-CE2 4.41Å; F188-F240 HydrophobicContact CZ-CB 4.24Å; P196-F240 HydrophobicContact CB-CE2 4.19Å; P196-F240 HydrophobicContact CB-CZ 4.42Å; P196-F240 HydrophobicContact CG-CE2 4.04Å; P196-F240 HydrophobicContact CG-CZ 4.25Å; F200-F240 HydrophobicContact CB-CD1 4.08Å; F200-F240 HydrophobicContact CB-CD2 4.26Å; F200-F240 HydrophobicContact CB-CE1 4Å; F200-F240 HydrophobicContact CB-CE2 4.17Å; F200-F240 HydrophobicContact CB-CG 4.21Å; F200-F240 HydrophobicContact CB-CZ 4.04Å; F200-F240 HydrophobicContact CD1-CB 3.97Å; F200-F240 HydrophobicContact CD1-CD1 4.37Å; F200-F240 HydrophobicContact CD1-CD2 4.38Å; F200-F240 AromaticContact CD1-CG 3.99Å; F200-F240 HydrophobicContact CD1-CG 3.99Å; F200-F240 HydrophobicContact CE1-CB 4.43Å; F200-F240 HydrophobicContact CG-CD2 4.36Å; F200-F240 HydrophobicContact CG-CG 4.33Å; V201-F240 HydrophobicContact CG1-CE1 4.34Å; V201-F240 HydrophobicContact CG1-CZ 3.86Å; D236-F240 WeakPolarHBondContact O-CB 3.48Å; D236-F240 PolarHBondContact O-N 2.73Å; L237-F240 PolarHBondContact O-N 3.46Å; F240-R242 VanDerWaalsContact C-N 3.33Å; F240-R242 PolarHBondContact O-N 2.91Å; F240-L243 WeakPolarHBondContact O-CB 3.43Å; F240-L243 PolarHBondContact O-N 3.39Å; F240-L243 VanDerWaalsContact O-N 3.15Å; F240-E244 HydrophobicContact CD1-CG 4.47Å; F240-E244 HydrophobicContact CE1-CG 4.19Å; F240-E244 PolarHBondContact O-N 2.99Å; F240-E244 VanDerWaalsContact O-N 3.1Å; F240-P607 HydrophobicContact CE2-CG 4.26Å; F240-P607 HydrophobicContact CZ-CG 3.82Å
241	Y	89.7	Confident	90.6	Very high	28 Å²	28	47 Å²	47	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-33.3	176.8	-62	-19.9	0	0	0	113.2	L237 E239 L243 E244 V245 P761 R763	L237-Y241 HydrophobicContact CD1-CE1 3.83Å; L237-Y241 HydrophobicContact CD1-CE2 4.08Å; L237-Y241 WeakPolarHBondContact CD1-OH 3.39Å; L237-Y241 HydrophobicContact CD2-CE2 4.2Å; L237-Y241 HydrophobicContact CG-CD2 4.4Å; L237-Y241 HydrophobicContact CG-CE1 4.36Å; L237-Y241 HydrophobicContact CG-CE2 3.72Å; L237-Y241 WeakPolarHBondContact O-CD2 3.19Å; L237-Y241 PolarHBondContact O-N 3.46Å; L237-Y241 VanDerWaalsContact O-N 3.09Å; E239-Y241 VanDerWaalsContact C-N 3.33Å; E239-Y241 PolarHBondContact O-N 2.86Å; Y241-L243 VanDerWaalsContact C-N 3.29Å; Y241-L243 PolarHBondContact O-N 3.02Å; Y241-E244 WeakPolarHBondContact CD1-OE2 3.32Å; Y241-E244 PolarHBondContact O-N 3.2Å; Y241-V245 WeakPolarHBondContact O-CG2 3.26Å; Y241-V245 PolarHBondContact O-N 3.4Å; Y241-V245 VanDerWaalsContact O-N 3.11Å; Y241-P761 WeakPolarHBondContact CE2-O 3.16Å; Y241-R763 HydrophobicContact CD1-CG 3.54Å; Y241-R763 HydrophobicContact CD2-CG 3.98Å; Y241-R763 HydrophobicContact CE1-CG 3.32Å; Y241-R763 VanDerWaalsContact CE1-NE 3.26Å; Y241-R763 HydrophobicContact CE2-CG 3.74Å; Y241-R763 HydrophobicContact CG-CG 3.88Å
242	R	92.8	Very high	91	Very high	92 Å²	92	39.5 Å²	39.5	35%	0.347	20%	0.2	S	C	.	.	H	α-helix	trans	-58.8	-43.7	172	-171.1	-169.3	74.3	85.4	-2.3	110.9	E180 S238 E239 F240 V245 L246	E180-R242 IonicContact OE1-CZ 2.74Å; E180-R242 IonicContact OE1-NH1 3Å; E180-R242 PolarHBondContact OE1-NH1 3.42Å; E180-R242 IonicContact OE1-NH2 3.74Å; S238-R242 PolarHBondContact O-N 2.93Å; E239-R242 VanDerWaalsContact CD-NE 3.28Å; E239-R242 WeakPolarHBondContact O-CB 3.36Å; E239-R242 PolarHBondContact O-N 3.41Å; E239-R242 VanDerWaalsContact O-N 3.15Å; E239-R242 IonicContact OE1-CZ 2.81Å; E239-R242 VanDerWaalsContact OE1-CZ 3.24Å; E239-R242 IonicContact OE1-NE 3.42Å; E239-R242 PolarHBondContact OE1-NE 3.2Å; E239-R242 IonicContact OE1-NH2 3.25Å; E239-R242 PolarHBondContact OE1-NH2 3.29Å; E239-R242 WeakPolarHBondContact OE2-CD 3.45Å; E239-R242 IonicContact OE2-CZ 2.71Å; E239-R242 IonicContact OE2-NE 2.64Å; E239-R242 PolarHBondContact OE2-NE 3.21Å; F240-R242 VanDerWaalsContact C-N 3.33Å; F240-R242 PolarHBondContact O-N 2.91Å; R242-V245 PolarHBondContact O-N 3.01Å; R242-L246 WeakPolarHBondContact O-CB 3.41Å; R242-L246 PolarHBondContact O-N 3.16Å
243	L	92.5	Very high	91.3	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-33.4	-179.9	-63.7	176.6	0	0	0	113.1	V181 Y184 F188 E239 F240 Y241 L246 S247	V181-L243 HydrophobicContact CG1-CB 4.47Å; V181-L243 HydrophobicContact CG2-CD2 4.46Å; Y184-L243 VanDerWaalsContact CB-CD1 3.47Å; Y184-L243 HydrophobicContact CD2-CD2 4.25Å; Y184-L243 HydrophobicContact CG-CD1 4.33Å; Y184-L243 HydrophobicContact CG-CD2 4.43Å; F188-L243 HydrophobicContact CD2-CD1 4.44Å; F188-L243 HydrophobicContact CE2-CD1 3.48Å; F188-L243 VanDerWaalsContact CE2-CD1 3.48Å; F188-L243 HydrophobicContact CZ-CD1 4.11Å; E239-L243 WeakPolarHBondContact O-CG 3.32Å; E239-L243 PolarHBondContact O-N 3.45Å; E239-L243 VanDerWaalsContact O-N 3.07Å; F240-L243 WeakPolarHBondContact O-CB 3.43Å; F240-L243 PolarHBondContact O-N 3.39Å; F240-L243 VanDerWaalsContact O-N 3.15Å; Y241-L243 VanDerWaalsContact C-N 3.29Å; Y241-L243 PolarHBondContact O-N 3.02Å; L243-L246 HydrophobicContact CD2-CD2 4.34Å; L243-L246 PolarHBondContact O-N 2.94Å; L243-S247 WeakPolarHBondContact O-CB 3.25Å; L243-S247 PolarHBondContact O-N 3.48Å; L243-S247 PolarHBondContact O-OG 3.38Å
244	E	88	Confident	91.8	Very high	9 Å²	9	38 Å²	38	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-48.4	171.7	-70.7	-172.8	132.1	0	0	111.1	F240 Y241 L246 S247 D248 R763 R772	F240-E244 HydrophobicContact CD1-CG 4.47Å; F240-E244 HydrophobicContact CE1-CG 4.19Å; F240-E244 PolarHBondContact O-N 2.99Å; F240-E244 VanDerWaalsContact O-N 3.1Å; Y241-E244 WeakPolarHBondContact CD1-OE2 3.32Å; Y241-E244 PolarHBondContact O-N 3.2Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 3.28Å; E244-S247 WeakPolarHBondContact O-CB 3.45Å; E244-S247 PolarHBondContact O-N 2.99Å; E244-D248 PolarHBondContact O-N 3.31Å; E244-R763 IonicContact OE2-NE 3.71Å; E244-R772 WeakPolarHBondContact OE1-CD 3.35Å
245	V	89.8	Confident	92.2	Very high	53 Å²	53	34.9 Å²	34.9	32%	0.321	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-42.1	175.7	174.9	0	0	0	0	111.3	Y241 R242 S247 D248 S249 P764 T766	Y241-V245 WeakPolarHBondContact O-CG2 3.26Å; Y241-V245 PolarHBondContact O-N 3.4Å; Y241-V245 VanDerWaalsContact O-N 3.11Å; R242-V245 PolarHBondContact O-N 3.01Å; V245-S247 VanDerWaalsContact C-N 3.32Å; V245-S247 PolarHBondContact O-N 3.06Å; V245-D248 PolarHBondContact O-N 2.84Å; V245-S249 PolarHBondContact O-N 2.91Å; V245-S249 VanDerWaalsContact O-N 3.08Å; V245-P764 HydrophobicContact CG2-CB 4.28Å; V245-P764 HydrophobicContact CG2-CG 3.28Å; V245-T766 HydrophobicContact CG2-CG2 4.14Å
246	L	92.1	Very high	92.4	Very high	33 Å²	33	30.8 Å²	30.8	17%	0.173	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-43.6	176.5	-176.1	61.6	0	0	0	111.1	V177 E180 V181 R242 L243 E244 D248 S249	V177-L246 HydrophobicContact CG1-CD1 3.62Å; V177-L246 HydrophobicContact CG1-CD2 4.13Å; V177-L246 HydrophobicContact CG1-CG 3.57Å; E180-L246 HydrophobicContact CG-CD2 4.22Å; E180-L246 WeakPolarHBondContact OE1-CD2 3.38Å; V181-L246 HydrophobicContact CG2-CB 4.42Å; V181-L246 HydrophobicContact CG2-CD2 3.87Å; V181-L246 HydrophobicContact CG2-CG 4.12Å; R242-L246 WeakPolarHBondContact O-CB 3.41Å; R242-L246 PolarHBondContact O-N 3.16Å; L243-L246 HydrophobicContact CD2-CD2 4.34Å; L243-L246 PolarHBondContact O-N 2.94Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 3.28Å; L246-D248 VanDerWaalsContact C-N 3.3Å; L246-D248 PolarHBondContact O-N 3.15Å; L246-S249 WeakPolarHBondContact O-CB 3.45Å; L246-S249 PolarHBondContact O-N 2.86Å; L246-S249 PolarHBondContact O-OG 2.83Å
247	S	91.1	Very high	92.4	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-38.7	176.5	-58.2	0	0	0	0	112	L243 E244 V245 S249 I250	L243-S247 WeakPolarHBondContact O-CB 3.25Å; L243-S247 PolarHBondContact O-N 3.48Å; L243-S247 PolarHBondContact O-OG 3.38Å; E244-S247 WeakPolarHBondContact O-CB 3.45Å; E244-S247 PolarHBondContact O-N 2.99Å; V245-S247 VanDerWaalsContact C-N 3.32Å; V245-S247 PolarHBondContact O-N 3.06Å; S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 3.24Å; S247-I250 WeakPolarHBondContact O-CB 3.47Å; S247-I250 WeakPolarHBondContact O-CG1 3.32Å; S247-I250 PolarHBondContact O-N 2.96Å
248	D	87.1	Confident	92.6	Very high	20 Å²	20	32.3 Å²	32.3	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-25.6	179.6	-64.5	-9.4	0	0	0	112.7	E244 V245 L246 I250 R322 T766 L768 N769 R772	E244-D248 PolarHBondContact O-N 3.31Å; V245-D248 PolarHBondContact O-N 2.84Å; L246-D248 VanDerWaalsContact C-N 3.3Å; L246-D248 PolarHBondContact O-N 3.15Å; D248-I250 PolarHBondContact O-N 3.49Å; D248-R322 PolarHBondContact O-NH2 3.4Å; D248-T766 HydrophobicContact CB-CG2 4.45Å; D248-T766 WeakPolarHBondContact OD2-CB 3.16Å; D248-T766 PolarHBondContact OD2-OG1 2.95Å; D248-L768 HydrophobicContact CB-CD1 4.43Å; D248-L768 WeakPolarHBondContact OD1-CD1 3.3Å; D248-N769 PolarHBondContact OD2-OD1 2.86Å; D248-R772 IonicContact OD1-CZ 2.65Å; D248-R772 IonicContact OD1-NH1 2.71Å; D248-R772 PolarHBondContact OD1-NH1 3.09Å; D248-R772 IonicContact OD1-NH2 3.25Å; D248-R772 PolarHBondContact OD1-NH2 3.4Å; D248-R772 IonicContact OD2-NH1 3.87Å; D248-R772 PolarHBondContact OD2-NH1 3.08Å
249	S	90.3	Very high	92.9	Very high	68 Å²	68	29 Å²	29	48%	0.476	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.3	177	80.2	0	0	0	0	114.2	V245 L246 S247 K251	V245-S249 PolarHBondContact O-N 2.91Å; V245-S249 VanDerWaalsContact O-N 3.08Å; L246-S249 WeakPolarHBondContact O-CB 3.45Å; L246-S249 PolarHBondContact O-N 2.86Å; L246-S249 PolarHBondContact O-OG 2.83Å; S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 3.24Å; S249-K251 PolarHBondContact O-N 3.33Å
250	I	93.5	Very high	93	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.137	C	C	.	.			trans	-63.7	129.3	-179.2	-70.6	167.5	0	0	0	111.2	E174 V177 C178 S247 D248 Q252 F255 R322 L615	E174-I250 HydrophobicContact CB-CG2 4.35Å; E174-I250 WeakPolarHBondContact OE2-CA 3.2Å; V177-I250 HydrophobicContact CB-CG1 4.36Å; V177-I250 HydrophobicContact CG1-CD1 4.23Å; V177-I250 HydrophobicContact CG1-CG1 3.98Å; C178-I250 VanDerWaalsContact SG-CD1 3.58Å; S247-I250 WeakPolarHBondContact O-CB 3.47Å; S247-I250 WeakPolarHBondContact O-CG1 3.32Å; S247-I250 PolarHBondContact O-N 2.96Å; D248-I250 PolarHBondContact O-N 3.49Å; I250-Q252 PolarHBondContact O-N 3.49Å; I250-F255 HydrophobicContact CG2-CE2 3.85Å; I250-R322 PolarHBondContact O-NH2 3.15Å; I250-L615 HydrophobicContact CD1-CD1 3.63Å; I250-L615 HydrophobicContact CG2-CB 4.49Å
251	K	94.1	Very high	93.2	Very high	102 Å²	102	28.2 Å²	28.2	44%	0.443	14%	0.138	S	C	.	.			trans	-86.9	93.7	-178	-67	-175.2	-179.9	-179.1	0	112.4	E174 S249 E253 H254	E174-K251 HydrophobicContact CG-CB 4.21Å; E174-K251 PolarHBondContact OE2-N 3.18Å; S249-K251 PolarHBondContact O-N 3.33Å; K251-E253 PolarHBondContact O-N 2.98Å; K251-H254 PolarHBondContact O-N 3.22Å; K251-H254 VanDerWaalsContact O-N 3.16Å
252	Q	93.9	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.4	-177.8	-57.1	-170.9	-79.4	0	0	113.7	I250 H254 F255 Y256 A318 R322 L615	I250-Q252 PolarHBondContact O-N 3.49Å; Q252-H254 PolarHBondContact O-N 3.36Å; Q252-H254 VanDerWaalsContact O-N 3.16Å; Q252-F255 PolarHBondContact O-N 3.17Å; Q252-Y256 HydrophobicContact CB-CD2 3.99Å; Q252-Y256 HydrophobicContact CB-CE2 3.59Å; Q252-Y256 HydrophobicContact CG-CE2 4.45Å; Q252-Y256 PolarHBondContact NE2-OH 3.17Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.21Å; Q252-Y256 PolarHBondContact O-N 3.12Å; Q252-A318 HydrophobicContact CB-CB 3.98Å; Q252-R322 VanDerWaalsContact CG-NH1 3.3Å; Q252-R322 VanDerWaalsContact OE1-CG 3.28Å; Q252-L615 WeakPolarHBondContact CG-O 3.06Å; Q252-L615 PolarHBondContact NE2-O 3.38Å
253	E	94.9	Very high	93.6	Very high	54 Å²	54	23.5 Å²	23.5	25%	0.252	12%	0.12	S	C	.	.	H	α-helix	trans	-60.4	-26.1	179.5	63.1	-89.7	-151.5	0	0	113.1	K251 F255 G257 K315 A318	K251-E253 PolarHBondContact O-N 2.98Å; E253-F255 VanDerWaalsContact C-N 3.28Å; E253-F255 PolarHBondContact O-N 3.36Å; E253-G257 PolarHBondContact O-N 3.02Å; E253-G257 VanDerWaalsContact O-N 3.1Å; E253-K315 HydrophobicContact CB-CG 4.25Å; E253-A318 HydrophobicContact CB-CB 3.96Å
254	H	96.7	Very high	93.8	Very high	39 Å²	39	23.4 Å²	23.4	18%	0.181	12%	0.12	C	C	.	.	H	α-helix	trans	-73.1	-22	176.5	-64.3	-28.4	0	0	0	112.7	N170 E174 K251 Q252 C259	N170-H254 HydrophobicContact CB-CB 4.23Å; E174-H254 HydrophobicContact CG-CB 4.11Å; E174-H254 IonicContact OE1-CD2 2.81Å; K251-H254 PolarHBondContact O-N 3.22Å; K251-H254 VanDerWaalsContact O-N 3.16Å; Q252-H254 PolarHBondContact O-N 3.36Å; Q252-H254 VanDerWaalsContact O-N 3.16Å; H254-C259 WeakPolarHBondContact O-CB 3.42Å
255	F	97.1	Very high	94.1	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-89.7	-38.2	172.5	-59.2	-82	0	0	0	111.8	E174 L175 I250 Q252 E253 G257 C259 L260 C616	E174-F255 HydrophobicContact CB-CE2 3.54Å; E174-F255 HydrophobicContact CB-CZ 3.52Å; E174-F255 HydrophobicContact CG-CE2 4.15Å; L175-F255 HydrophobicContact CD2-CE1 3.85Å; L175-F255 HydrophobicContact CD2-CZ 4.27Å; L175-F255 HydrophobicContact CG-CE1 3.87Å; L175-F255 HydrophobicContact CG-CZ 4.24Å; I250-F255 HydrophobicContact CG2-CE2 3.85Å; Q252-F255 PolarHBondContact O-N 3.17Å; E253-F255 VanDerWaalsContact C-N 3.28Å; E253-F255 PolarHBondContact O-N 3.36Å; F255-G257 VanDerWaalsContact C-N 3.31Å; F255-G257 PolarHBondContact O-N 3.43Å; F255-C259 CarbonylContact O-C 3.51Å; F255-L260 WeakPolarHBondContact O-CA 3.39Å; F255-L260 PolarHBondContact O-N 2.72Å; F255-C616 HydrophobicContact CB-CB 3.77Å; F255-C616 HydrophobicContact CD1-CB 3.43Å; F255-C616 VanDerWaalsContact CD1-CB 3.43Å; F255-C616 HydrophobicContact CD2-CB 3.64Å; F255-C616 HydrophobicContact CE1-CB 3.82Å; F255-C616 HydrophobicContact CE2-CB 4.02Å; F255-C616 HydrophobicContact CG-CB 3.31Å; F255-C616 HydrophobicContact CZ-CB 4.09Å
256	Y	95.1	Very high	94.4	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-82.7	-7.4	-176.5	-59.4	-38.7	0	0	0	114.9	Q252 L260 R313 L317 A318 D617 P621	Q252-Y256 HydrophobicContact CB-CD2 3.99Å; Q252-Y256 HydrophobicContact CB-CE2 3.59Å; Q252-Y256 HydrophobicContact CG-CE2 4.45Å; Q252-Y256 PolarHBondContact NE2-OH 3.17Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.21Å; Q252-Y256 PolarHBondContact O-N 3.12Å; Y256-L260 HydrophobicContact CD1-CD1 3.87Å; Y256-R313 PolarHBondContact O-NE 3.11Å; Y256-R313 PolarHBondContact O-NH2 2.76Å; Y256-L317 HydrophobicContact CD2-CB 3.78Å; Y256-L317 HydrophobicContact CG-CB 3.97Å; Y256-L317 HydrophobicContact CG-CD1 4.38Å; Y256-A318 HydrophobicContact CD2-CB 4.46Å; Y256-D617 WeakPolarHBondContact CE1-O 3.45Å; Y256-D617 PolarHBondContact OH-O 3.13Å; Y256-D617 VanDerWaalsContact OH-O 3.07Å; Y256-P621 WeakPolarHBondContact OH-CB 3.41Å
257	G	94	Very high	94.4	Very high	3 Å²	3	23 Å²	23	3%	0.031	12%	0.121	C	C	.	.	S	Bend	trans	-77.3	-132.6	176.1	0	0	0	0	0	113.7	E253 F255 C259 L260 P310 R313	E253-G257 PolarHBondContact O-N 3.02Å; E253-G257 VanDerWaalsContact O-N 3.1Å; F255-G257 VanDerWaalsContact C-N 3.31Å; F255-G257 PolarHBondContact O-N 3.43Å; G257-C259 PolarHBondContact O-N 3.1Å; G257-L260 PolarHBondContact O-N 3.32Å; G257-P310 VanDerWaalsContact CA-O 3.25Å; G257-P310 WeakPolarHBondContact CA-O 3.35Å; G257-R313 PolarHBondContact O-NH2 3.45Å
258	R	94.9	Very high	94.5	Very high	56 Å²	56	22.9 Å²	22.9	21%	0.211	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.3	174.8	-75.6	-174.6	166.1	76.1	14	113.9	A167 L260 P310 E311	A167-R258 HydrophobicContact CB-CB 3.87Å; A167-R258 HydrophobicContact CB-CG 4.46Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 2.89Å; R258-P310 HydrophobicContact CG-CB 3.61Å; R258-P310 HydrophobicContact CG-CG 4.08Å; R258-E311 WeakPolarHBondContact CG-OE1 3.48Å; R258-E311 IonicContact CZ-OE1 2.71Å; R258-E311 IonicContact CZ-OE2 3.74Å; R258-E311 IonicContact NH1-OE1 3.62Å; R258-E311 PolarHBondContact NH1-OE1 3.14Å; R258-E311 IonicContact NH1-OE2 2.85Å; R258-E311 PolarHBondContact NH1-OE2 2.52Å; R258-E311 IonicContact NH2-OE2 3.74Å
259	C	97.5	Very high	94.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	17.3	-179.2	-53.9	0	0	0	0	112.8	C171 H254 F255 G257 A261 F262	C171-C259 HydrophobicContact CB-CB 4.1Å; H254-C259 WeakPolarHBondContact O-CB 3.42Å; F255-C259 CarbonylContact O-C 3.51Å; G257-C259 PolarHBondContact O-N 3.1Å; C259-A261 PolarHBondContact O-N 2.89Å; C259-F262 HydrophobicContact CB-CD1 4.09Å; C259-F262 VanDerWaalsContact O-CD1 3.27Å; C259-F262 WeakPolarHBondContact O-CD1 3.34Å
260	L	96.1	Very high	95	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.073	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	123.6	-177.9	-177.5	70.4	0	0	0	111.1	F255 Y256 G257 R258 F262 L273 N276 P618	F255-L260 WeakPolarHBondContact O-CA 3.39Å; F255-L260 PolarHBondContact O-N 2.72Å; Y256-L260 HydrophobicContact CD1-CD1 3.87Å; G257-L260 PolarHBondContact O-N 3.32Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 2.89Å; L260-F262 PolarHBondContact O-N 3.39Å; L260-L273 HydrophobicContact CD2-CD1 4.25Å; L260-N276 HydrophobicContact CD1-CB 4.49Å; L260-N276 HydrophobicContact CD2-CB 3.78Å; L260-P618 HydrophobicContact CD1-CB 3.73Å
261	A	95.5	Very high	94.8	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.025	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	16.3	172.4	0	0	0	0	0	115.6	C259 Y263 L264 Q269 L272 P618	C259-A261 PolarHBondContact O-N 2.89Å; A261-Y263 PolarHBondContact O-N 3.29Å; A261-L264 HydrophobicContact CB-CD1 3.97Å; A261-L264 WeakPolarHBondContact O-CB 3.36Å; A261-L264 PolarHBondContact O-N 3.01Å; A261-Q269 VanDerWaalsContact O-CG 3.24Å; A261-Q269 WeakPolarHBondContact O-CG 3.46Å; A261-L272 HydrophobicContact CB-CB 4.11Å; A261-L272 HydrophobicContact CB-CD1 3.98Å; A261-P618 HydrophobicContact CB-CG 4.41Å
262	F	95.9	Very high	94.7	Very high	17 Å²	17	25.8 Å²	25.8	8%	0.075	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.1	-172.7	78.7	-91.4	0	0	0	113.9	I134 R137 C138 Y168 C259 L260 Q269	I134-F262 HydrophobicContact CG2-CE1 4.29Å; I134-F262 HydrophobicContact CG2-CZ 3.7Å; R137-F262 HydrophobicContact CB-CD2 4.22Å; R137-F262 HydrophobicContact CB-CE2 3.7Å; C138-F262 HydrophobicContact CB-CE2 3.88Å; C138-F262 HydrophobicContact CB-CZ 3.58Å; C138-F262 VanDerWaalsContact N-CE2 3.28Å; Y168-F262 HydrophobicContact CE1-CB 4.4Å; Y168-F262 HydrophobicContact CE1-CD1 4.29Å; Y168-F262 HydrophobicContact CE1-CD2 4.18Å; Y168-F262 HydrophobicContact CE1-CG 4.01Å; Y168-F262 WeakPolarHBondContact OH-CB 3.34Å; C259-F262 HydrophobicContact CB-CD1 4.09Å; C259-F262 VanDerWaalsContact O-CD1 3.27Å; C259-F262 WeakPolarHBondContact O-CD1 3.34Å; L260-F262 PolarHBondContact O-N 3.39Å; F262-Q269 PolarHBondContact O-NE2 3.32Å
263	Y	95.4	Very high	94.6	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.016	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.6	-179.6	57.2	-96.2	0	0	0	113.7	I134 R137 A261 C616 F805	I134-Y263 HydrophobicContact CD1-CD1 4.47Å; I134-Y263 HydrophobicContact CD1-CD2 4.18Å; I134-Y263 HydrophobicContact CD1-CE2 4.33Å; I134-Y263 HydrophobicContact CD1-CG 4.26Å; I134-Y263 HydrophobicContact CG1-CD1 4.18Å; I134-Y263 HydrophobicContact CG1-CD2 3.98Å; I134-Y263 HydrophobicContact CG1-CG 3.74Å; I134-Y263 HydrophobicContact CG2-CD1 3.98Å; I134-Y263 HydrophobicContact CG2-CG 4.27Å; R137-Y263 PolarHBondContact NH1-O 3.13Å; A261-Y263 PolarHBondContact O-N 3.29Å; Y263-C616 PolarHBondContact OH-O 3.31Å; Y263-F805 HydrophobicContact CD2-CB 4.26Å; Y263-F805 AromaticContact CD2-CD1 3.85Å; Y263-F805 HydrophobicContact CD2-CD1 3.85Å; Y263-F805 HydrophobicContact CD2-CD2 4.2Å; Y263-F805 HydrophobicContact CD2-CE1 4.24Å; Y263-F805 AromaticContact CD2-CG 3.83Å; Y263-F805 HydrophobicContact CD2-CG 3.83Å; Y263-F805 HydrophobicContact CE2-CB 4.06Å; Y263-F805 HydrophobicContact CE2-CD1 4.26Å; Y263-F805 HydrophobicContact CE2-CG 4.13Å; Y263-F805 VanDerWaalsContact O-CE2 3.27Å; Y263-F805 WeakPolarHBondContact O-CE2 3.5Å
264	L	96.4	Very high	94.2	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	-97.8	170.9	178.1	-62.9	175.1	0	0	0	111.9	A261 A268 Q269 L272 P618 F805 P835	A261-L264 HydrophobicContact CB-CD1 3.97Å; A261-L264 WeakPolarHBondContact O-CB 3.36Å; A261-L264 PolarHBondContact O-N 3.01Å; L264-A268 HydrophobicContact CB-CB 3.76Å; L264-A268 HydrophobicContact CD1-CB 4.22Å; L264-Q269 PolarHBondContact O-NE2 3.38Å; L264-L272 HydrophobicContact CD1-CD1 3.23Å; L264-P618 HydrophobicContact CD1-CG 4.48Å; L264-F805 HydrophobicContact CD2-CB 3.58Å; L264-F805 HydrophobicContact CD2-CD2 3.63Å; L264-F805 HydrophobicContact CD2-CG 3.89Å; L264-P835 HydrophobicContact CD1-CB 3.88Å; L264-P835 HydrophobicContact CD1-CG 4.49Å; L264-P835 HydrophobicContact CD2-CB 4.44Å
265	C	95.3	Very high	93.7	Very high	6 Å²	6	32 Å²	32	4%	0.041	15%	0.152	C	C	.	.			trans	-61.6	155.4	176.8	73.6	0	0	0	0	112.3	S267 A268 Q269 D833 E847	C265-S267 PolarHBondContact O-N 3.02Å; C265-S267 VanDerWaalsContact O-N 3.14Å; C265-A268 WeakPolarHBondContact O-CB 3.26Å; C265-A268 PolarHBondContact O-N 2.7Å; C265-A268 VanDerWaalsContact SG-CB 3.54Å; C265-A268 PolarHBondContact SG-N 3.42Å; C265-A268 VanDerWaalsContact SG-N 3.42Å; C265-Q269 WeakPolarHBondContact O-CG 3.44Å; C265-Q269 PolarHBondContact O-N 2.76Å; C265-D833 HydrophobicContact CB-CB 3.97Å; C265-D833 PolarHBondContact N-O 3.12Å; C265-E847 HydrophobicContact CB-CB 4.39Å; C265-E847 HydrophobicContact CB-CG 3.93Å
266	P	94.9	Very high	93.4	Very high	79 Å²	79	32 Å²	32	51%	0.513	15%	0.152	S	C	.	.	H	α-helix	trans	-54.6	-34.4	-178.4	-28.9	35.5	0	0	0	115	R270 E847	P266-R270 WeakPolarHBondContact O-CG 3.33Å; P266-R270 PolarHBondContact O-N 3.24Å; P266-R270 PolarHBondContact O-NE 3.3Å; P266-E847 WeakPolarHBondContact CD-OE1 3.4Å
267	S	93.4	Very high	93	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-68.7	-45.2	175.6	-61.9	0	0	0	0	111.9	C265 Q269 R270 I271 G845 E847	C265-S267 PolarHBondContact O-N 3.02Å; C265-S267 VanDerWaalsContact O-N 3.14Å; S267-Q269 PolarHBondContact O-N 3.49Å; S267-R270 PolarHBondContact O-N 3.43Å; S267-R270 PolarHBondContact OG-NH2 2.97Å; S267-I271 VanDerWaalsContact O-CD1 3.32Å; S267-I271 WeakPolarHBondContact O-CD1 3.45Å; S267-I271 VanDerWaalsContact O-CG1 3.27Å; S267-I271 WeakPolarHBondContact O-CG1 3.35Å; S267-I271 PolarHBondContact O-N 2.77Å; S267-I271 VanDerWaalsContact O-N 3.17Å; S267-G845 WeakPolarHBondContact OG-CA 3.36Å; S267-E847 WeakPolarHBondContact CB-OE2 3.48Å; S267-E847 PolarHBondContact OG-OE2 3.31Å
268	A	93.6	Very high	92.5	Very high	1 Å²	1	34 Å²	34	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-44.9	174.7	0	0	0	0	0	111.7	L264 C265 R270 I271 L272 P835 F848	L264-A268 HydrophobicContact CB-CB 3.76Å; L264-A268 HydrophobicContact CD1-CB 4.22Å; C265-A268 WeakPolarHBondContact O-CB 3.26Å; C265-A268 PolarHBondContact O-N 2.7Å; C265-A268 VanDerWaalsContact SG-CB 3.54Å; C265-A268 PolarHBondContact SG-N 3.42Å; C265-A268 VanDerWaalsContact SG-N 3.42Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 3.49Å; A268-I271 PolarHBondContact O-N 3.39Å; A268-L272 HydrophobicContact CB-CD1 4.17Å; A268-L272 VanDerWaalsContact O-CB 3.23Å; A268-L272 WeakPolarHBondContact O-CB 3.35Å; A268-L272 WeakPolarHBondContact O-CD1 3.49Å; A268-L272 WeakPolarHBondContact O-CG 3.28Å; A268-L272 PolarHBondContact O-N 3.05Å; A268-P835 HydrophobicContact CB-CG 4.17Å; A268-F848 HydrophobicContact CB-CZ 3.77Å
269	Q	95.3	Very high	92.1	Very high	75 Å²	75	32.3 Å²	32.3	35%	0.35	16%	0.158	S	C	.	.	H	α-helix	trans	-52.9	-49.1	177.4	-73.4	-179.8	26.9	0	0	112.2	A261 F262 L264 C265 S267 L273	A261-Q269 VanDerWaalsContact O-CG 3.24Å; A261-Q269 WeakPolarHBondContact O-CG 3.46Å; F262-Q269 PolarHBondContact O-NE2 3.32Å; L264-Q269 PolarHBondContact O-NE2 3.38Å; C265-Q269 WeakPolarHBondContact O-CG 3.44Å; C265-Q269 PolarHBondContact O-N 2.76Å; S267-Q269 PolarHBondContact O-N 3.49Å; Q269-L273 WeakPolarHBondContact O-CB 3.29Å; Q269-L273 PolarHBondContact O-N 2.86Å
270	R	91	Very high	91.5	Very high	158 Å²	158	32.4 Å²	32.4	60%	0.596	16%	0.158	S	C	*	.	H	α-helix	trans	-64.6	-45.7	-178.9	-70.7	-179.2	-67.3	166.2	2.5	112.3	P266 S267 A268 F274	P266-R270 WeakPolarHBondContact O-CG 3.33Å; P266-R270 PolarHBondContact O-N 3.24Å; P266-R270 PolarHBondContact O-NE 3.3Å; S267-R270 PolarHBondContact O-N 3.43Å; S267-R270 PolarHBondContact OG-NH2 2.97Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 3.49Å; R270-F274 PolarHBondContact O-N 3.17Å; R270-F274 VanDerWaalsContact O-N 3.16Å
271	I	89.9	Confident	90.8	Very high	20 Å²	20	31.8 Å²	31.8	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-67.8	-45.4	-177.9	-63.5	160.6	0	0	0	110.3	S267 A268 L273 F274 L275 F841 L844 F848	S267-I271 VanDerWaalsContact O-CD1 3.32Å; S267-I271 WeakPolarHBondContact O-CD1 3.45Å; S267-I271 VanDerWaalsContact O-CG1 3.27Å; S267-I271 WeakPolarHBondContact O-CG1 3.35Å; S267-I271 PolarHBondContact O-N 2.77Å; S267-I271 VanDerWaalsContact O-N 3.17Å; A268-I271 PolarHBondContact O-N 3.39Å; I271-L273 VanDerWaalsContact C-N 3.35Å; I271-L273 PolarHBondContact O-N 3.34Å; I271-F274 WeakPolarHBondContact O-CB 3.36Å; I271-F274 PolarHBondContact O-N 3.04Å; I271-L275 HydrophobicContact CG2-CD1 3.83Å; I271-L275 HydrophobicContact CG2-CG 4.22Å; I271-L275 WeakPolarHBondContact O-CG 3.42Å; I271-L275 PolarHBondContact O-N 3.23Å; I271-F841 HydrophobicContact CD1-CB 4.16Å; I271-F841 HydrophobicContact CD1-CG 4.37Å; I271-F841 HydrophobicContact CG2-CD1 3.91Å; I271-F841 HydrophobicContact CG2-CE1 3.87Å; I271-F841 HydrophobicContact CG2-CZ 4.49Å; I271-L844 HydrophobicContact CD1-CB 3.36Å; I271-L844 HydrophobicContact CD1-CD1 3.86Å; I271-L844 HydrophobicContact CD1-CG 4.27Å; I271-L844 HydrophobicContact CG1-CB 4.09Å; I271-L844 HydrophobicContact CG1-CD1 4.12Å; I271-L844 HydrophobicContact CG2-CD1 4.27Å; I271-F848 HydrophobicContact CD1-CD2 4.25Å; I271-F848 HydrophobicContact CD1-CE2 3.51Å; I271-F848 HydrophobicContact CD1-CZ 4.22Å
272	L	91.6	Very high	90.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-35	-177.9	-66	170.9	0	0	0	111.7	A261 L264 A268 F274 L275 N276 P618 L619 P835	A261-L272 HydrophobicContact CB-CB 4.11Å; A261-L272 HydrophobicContact CB-CD1 3.98Å; L264-L272 HydrophobicContact CD1-CD1 3.23Å; A268-L272 HydrophobicContact CB-CD1 4.17Å; A268-L272 VanDerWaalsContact O-CB 3.23Å; A268-L272 WeakPolarHBondContact O-CB 3.35Å; A268-L272 WeakPolarHBondContact O-CD1 3.49Å; A268-L272 WeakPolarHBondContact O-CG 3.28Å; A268-L272 PolarHBondContact O-N 3.05Å; L272-F274 VanDerWaalsContact C-N 3.33Å; L272-L275 PolarHBondContact O-N 3.31Å; L272-N276 VanDerWaalsContact O-CB 3.23Å; L272-N276 WeakPolarHBondContact O-CB 3.42Å; L272-N276 PolarHBondContact O-N 3.25Å; L272-N276 PolarHBondContact O-ND2 2.97Å; L272-P618 HydrophobicContact CB-CG 4.49Å; L272-P618 HydrophobicContact CD1-CG 3.74Å; L272-P618 HydrophobicContact CD2-CG 4.28Å; L272-P618 HydrophobicContact CG-CG 4.4Å; L272-L619 HydrophobicContact CD2-CD1 3.81Å; L272-L619 HydrophobicContact CD2-CD2 3.4Å; L272-L619 VanDerWaalsContact CD2-CD2 3.4Å; L272-L619 HydrophobicContact CD2-CG 3.4Å; L272-L619 VanDerWaalsContact CD2-CG 3.4Å; L272-P835 HydrophobicContact CD1-CB 4.21Å; L272-P835 HydrophobicContact CD1-CG 4.35Å
273	L	91.2	Very high	89.1	Confident	86 Å²	86	31.5 Å²	31.5	45%	0.45	15%	0.154	S	C	.	.	H	α-helix	trans	-56.6	-48	169.2	-172.9	84.6	0	0	0	111.3	L260 Q269 I271 S277	L260-L273 HydrophobicContact CD2-CD1 4.25Å; Q269-L273 WeakPolarHBondContact O-CB 3.29Å; Q269-L273 PolarHBondContact O-N 2.86Å; I271-L273 VanDerWaalsContact C-N 3.35Å; I271-L273 PolarHBondContact O-N 3.34Å; L273-S277 VanDerWaalsContact O-CB 3.29Å; L273-S277 WeakPolarHBondContact O-CB 3.43Å; L273-S277 PolarHBondContact O-N 2.65Å; L273-S277 PolarHBondContact O-OG 3.06Å
274	F	87.2	Confident	87.8	Confident	89 Å²	89	35.9 Å²	35.9	39%	0.39	18%	0.177	S	C	.	.	H	α-helix	trans	-63.1	-54.9	177.2	172.7	-97.2	0	0	0	111.6	R270 I271 L272 N276 S277 F278 F674	R270-F274 PolarHBondContact O-N 3.17Å; R270-F274 VanDerWaalsContact O-N 3.16Å; I271-F274 WeakPolarHBondContact O-CB 3.36Å; I271-F274 PolarHBondContact O-N 3.04Å; L272-F274 VanDerWaalsContact C-N 3.33Å; F274-N276 PolarHBondContact O-N 3.05Å; F274-S277 PolarHBondContact O-N 3.25Å; F274-F278 WeakPolarHBondContact O-CB 3.35Å; F274-F278 PolarHBondContact O-N 3.26Å; F274-F674 HydrophobicContact CD2-CZ 4.21Å
275	L	86.7	Confident	86.3	Confident	49 Å²	49	36 Å²	36	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-59.1	-44.5	-175.4	-71.7	177.1	0	0	0	112.2	I271 L272 F278 M279 L619 F841	I271-L275 HydrophobicContact CG2-CD1 3.83Å; I271-L275 HydrophobicContact CG2-CG 4.22Å; I271-L275 WeakPolarHBondContact O-CG 3.42Å; I271-L275 PolarHBondContact O-N 3.23Å; L272-L275 PolarHBondContact O-N 3.31Å; L275-F278 PolarHBondContact O-N 3.05Å; L275-M279 WeakPolarHBondContact O-CB 3.39Å; L275-M279 PolarHBondContact O-N 3.39Å; L275-L619 HydrophobicContact CD1-CD2 4.37Å; L275-F841 HydrophobicContact CD1-CE1 3.95Å; L275-F841 HydrophobicContact CD1-CZ 4.15Å
276	N	89.9	Confident	84.8	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-73	-34.3	179.7	-83.3	-89.3	0	0	0	112.5	L260 L272 F274 F278 M279 A280 L317 P618	L260-N276 HydrophobicContact CD1-CB 4.49Å; L260-N276 HydrophobicContact CD2-CB 3.78Å; L272-N276 VanDerWaalsContact O-CB 3.23Å; L272-N276 WeakPolarHBondContact O-CB 3.42Å; L272-N276 PolarHBondContact O-N 3.25Å; L272-N276 PolarHBondContact O-ND2 2.97Å; F274-N276 PolarHBondContact O-N 3.05Å; N276-F278 VanDerWaalsContact C-N 3.34Å; N276-M279 PolarHBondContact O-N 2.85Å; N276-A280 WeakPolarHBondContact O-CB 3.43Å; N276-A280 PolarHBondContact O-N 3.08Å; N276-L317 HydrophobicContact CB-CD1 3.73Å; N276-L317 HydrophobicContact CB-CD2 4.28Å; N276-L317 WeakPolarHBondContact O-CD2 3.46Å; N276-P618 PolarHBondContact ND2-O 3.01Å; N276-P618 PolarHBondContact OD1-O 3.1Å
277	S	87.4	Confident	82.8	Confident	19 Å²	19	42.5 Å²	42.5	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-44.6	173.2	-51.6	0	0	0	0	110.2	L273 F274 M279 A280 G281 V304 R313	L273-S277 VanDerWaalsContact O-CB 3.29Å; L273-S277 WeakPolarHBondContact O-CB 3.43Å; L273-S277 PolarHBondContact O-N 2.65Å; L273-S277 PolarHBondContact O-OG 3.06Å; F274-S277 PolarHBondContact O-N 3.25Å; S277-M279 PolarHBondContact O-N 2.82Å; S277-A280 PolarHBondContact O-N 2.8Å; S277-G281 PolarHBondContact O-N 3.45Å; S277-V304 WeakPolarHBondContact O-CG2 3.48Å; S277-R313 VanDerWaalsContact OG-CD 3.32Å; S277-R313 WeakPolarHBondContact OG-CD 3.41Å; S277-R313 PolarHBondContact OG-NH1 3.44Å
278	F	84.2	Confident	80.7	Confident	29 Å²	29	47.7 Å²	47.7	13%	0.127	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-43.3	174	-173.8	-95.8	0	0	0	112.1	F274 L275 N276 A280 G281 Y282 V300 F332 L335	F274-F278 WeakPolarHBondContact O-CB 3.35Å; F274-F278 PolarHBondContact O-N 3.26Å; L275-F278 PolarHBondContact O-N 3.05Å; N276-F278 VanDerWaalsContact C-N 3.34Å; F278-A280 PolarHBondContact O-N 3.4Å; F278-G281 PolarHBondContact O-N 3.32Å; F278-Y282 VanDerWaalsContact O-CB 3.3Å; F278-Y282 WeakPolarHBondContact O-CB 3.38Å; F278-Y282 PolarHBondContact O-N 2.88Å; F278-V300 HydrophobicContact CD2-CB 4.36Å; F278-V300 HydrophobicContact CD2-CG1 3.37Å; F278-V300 HydrophobicContact CE2-CB 3.96Å; F278-V300 HydrophobicContact CE2-CG1 3.43Å; F278-V300 VanDerWaalsContact CE2-CG1 3.43Å; F278-V300 HydrophobicContact CG-CG1 3.98Å; F278-V300 HydrophobicContact CZ-CB 4.49Å; F278-V300 HydrophobicContact CZ-CG1 4.06Å; F278-V300 WeakPolarHBondContact O-CG1 3.48Å; F278-F332 AromaticContact CD1-CE2 3.66Å; F278-F332 HydrophobicContact CD1-CE2 3.66Å; F278-F332 HydrophobicContact CD1-CZ 4.15Å; F278-F332 AromaticContact CE1-CE2 3.99Å; F278-F332 HydrophobicContact CE1-CE2 3.99Å; F278-L335 HydrophobicContact CE1-CD1 3.63Å; F278-L335 HydrophobicContact CZ-CD1 4.23Å
279	M	84.9	Confident	78.7	Confident	20 Å²	20	49.4 Å²	49.4	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-43.2	174.8	-171.8	165.6	67.5	0	0	112.5	L275 N276 S277 G281 Y282 G283 L317 L320 T321 F328 F332	L275-M279 WeakPolarHBondContact O-CB 3.39Å; L275-M279 PolarHBondContact O-N 3.39Å; N276-M279 PolarHBondContact O-N 2.85Å; S277-M279 PolarHBondContact O-N 2.82Å; M279-G281 PolarHBondContact O-N 3.2Å; M279-Y282 PolarHBondContact O-N 3.41Å; M279-G283 PolarHBondContact O-N 2.88Å; M279-L317 HydrophobicContact CB-CD2 4.19Å; M279-L317 HydrophobicContact CE-CD2 3.25Å; M279-L317 HydrophobicContact CG-CD2 4.3Å; M279-L320 HydrophobicContact CG-CD1 4.44Å; M279-T321 HydrophobicContact CE-CG2 4.14Å; M279-F328 HydrophobicContact CG-CE1 4.45Å; M279-F328 HydrophobicContact CG-CZ 4.28Å; M279-F332 HydrophobicContact CB-CE1 4.15Å; M279-F332 HydrophobicContact CB-CE2 3.73Å; M279-F332 HydrophobicContact CB-CZ 3.51Å; M279-F332 HydrophobicContact CG-CD1 4.49Å; M279-F332 HydrophobicContact CG-CD2 4.35Å; M279-F332 HydrophobicContact CG-CE1 4.18Å; M279-F332 HydrophobicContact CG-CE2 4.01Å; M279-F332 HydrophobicContact CG-CZ 3.94Å; M279-F332 HydrophobicContact SD-CD1 4.2Å; M279-F332 HydrophobicContact SD-CE1 3.98Å; M279-F332 HydrophobicContact SD-CZ 4.32Å
280	A	85.3	Confident	76.5	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-42.8	178.1	0	0	0	0	0	112	N276 S277 F278 N284 L308 R313 M316 L317	N276-A280 WeakPolarHBondContact O-CB 3.43Å; N276-A280 PolarHBondContact O-N 3.08Å; S277-A280 PolarHBondContact O-N 2.8Å; F278-A280 PolarHBondContact O-N 3.4Å; A280-N284 PolarHBondContact O-N 2.66Å; A280-L308 HydrophobicContact CB-CD2 3.58Å; A280-R313 HydrophobicContact CB-CG 3.86Å; A280-M316 HydrophobicContact CB-CB 4.27Å; A280-M316 HydrophobicContact CB-CG 4.06Å; A280-L317 HydrophobicContact CB-CD2 4.2Å; A280-L317 HydrophobicContact CB-CG 4.14Å
281	G	81.8	Confident	74.4	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-38.8	173.9	0	0	0	0	0	112.8	S277 F278 M279 N284 S285	S277-G281 PolarHBondContact O-N 3.45Å; F278-G281 PolarHBondContact O-N 3.32Å; M279-G281 PolarHBondContact O-N 3.2Å; G281-N284 PolarHBondContact O-N 2.89Å; G281-S285 PolarHBondContact O-N 3.28Å
282	Y	80.1	Confident	72.8	Confident	14 Å²	14	56.8 Å²	56.8	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-43.7	176.4	-178.7	-102.5	0	0	0	111.9	F278 M279 N284 S285 F286 L296 V300 F328 F332 L335	F278-Y282 VanDerWaalsContact O-CB 3.3Å; F278-Y282 WeakPolarHBondContact O-CB 3.38Å; F278-Y282 PolarHBondContact O-N 2.88Å; M279-Y282 PolarHBondContact O-N 3.41Å; Y282-N284 PolarHBondContact O-N 3.15Å; Y282-S285 CarbonylContact O-C 3.56Å; Y282-S285 PolarHBondContact O-N 3.27Å; Y282-F286 HydrophobicContact CD1-CB 4.35Å; Y282-F286 HydrophobicContact CE1-CB 4.01Å; Y282-F286 AromaticContact CE1-CD2 3.91Å; Y282-F286 HydrophobicContact CE1-CD2 3.91Å; Y282-F286 HydrophobicContact CE1-CG 4.17Å; Y282-F286 AromaticContact CZ-CD2 3.69Å; Y282-F286 WeakPolarHBondContact O-CB 2.92Å; Y282-F286 PolarHBondContact O-N 2.68Å; Y282-F286 VanDerWaalsContact OH-CD2 3.26Å; Y282-F286 WeakPolarHBondContact OH-CD2 3.41Å; Y282-L296 HydrophobicContact CD2-CD1 3.91Å; Y282-L296 HydrophobicContact CD2-CD2 4.06Å; Y282-L296 HydrophobicContact CD2-CG 4.2Å; Y282-L296 HydrophobicContact CE2-CD1 3.81Å; Y282-L296 HydrophobicContact CE2-CD2 3.54Å; Y282-L296 HydrophobicContact CE2-CG 4.08Å; Y282-V300 HydrophobicContact CD2-CG2 4.25Å; Y282-F328 HydrophobicContact CD1-CD2 4.42Å; Y282-F328 AromaticContact CD1-CE2 3.53Å; Y282-F328 HydrophobicContact CD1-CE2 3.53Å; Y282-F328 AromaticContact CD1-CZ 3.93Å; Y282-F328 HydrophobicContact CD1-CZ 3.93Å; Y282-F328 HydrophobicContact CE1-CD2 4.11Å; Y282-F328 AromaticContact CE1-CE2 3.67Å; Y282-F328 HydrophobicContact CE1-CE2 3.67Å; Y282-F328 HydrophobicContact CE1-CZ 4.35Å; Y282-F332 HydrophobicContact CD1-CB 4.43Å; Y282-F332 AromaticContact CD1-CD2 3.68Å; Y282-F332 HydrophobicContact CD1-CD2 3.68Å; Y282-F332 HydrophobicContact CE1-CB 4.24Å; Y282-F332 HydrophobicContact CE1-CD2 4.22Å; Y282-F332 HydrophobicContact CG-CD2 4.09Å; Y282-L335 HydrophobicContact CD2-CD1 4.3Å; Y282-L335 HydrophobicContact CE2-CD1 4.26Å
283	G	75.4	Confident	71.2	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-32.5	176.7	0	0	0	0	0	113.7	M279 M316	M279-G283 PolarHBondContact O-N 2.88Å; G283-M316 VanDerWaalsContact C-CE 3.44Å
284	N	67.5	Low	69.6	Low	96 Å²	96	60.2 Å²	60.2	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-70.4	-35	174.2	-160.6	47	0	0	0	111.8	A280 G281 Y282 T288 M316	A280-N284 PolarHBondContact O-N 2.66Å; G281-N284 PolarHBondContact O-N 2.89Å; Y282-N284 PolarHBondContact O-N 3.15Å; N284-T288 PolarHBondContact O-OG1 3.33Å; N284-M316 HydrophobicContact CB-CE 4.12Å; N284-M316 VanDerWaalsContact N-CE 3.33Å
285	S	66.3	Low	68.2	Low	5 Å²	5	58.1 Å²	58.1	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-82.9	-35.6	179.6	-163.9	0	0	0	0	113.6	G281 Y282 L287 T288 S289 L296	G281-S285 PolarHBondContact O-N 3.28Å; Y282-S285 CarbonylContact O-C 3.56Å; Y282-S285 PolarHBondContact O-N 3.27Å; S285-L287 PolarHBondContact O-N 3.49Å; S285-T288 VanDerWaalsContact CA-OG1 3.3Å; S285-T288 WeakPolarHBondContact CA-OG1 3.36Å; S285-T288 CarbonylContact O-C 3.49Å; S285-T288 WeakPolarHBondContact O-CA 3.48Å; S285-T288 PolarHBondContact O-N 2.91Å; S285-T288 PolarHBondContact O-OG1 3.25Å; S285-T288 VanDerWaalsContact O-OG1 3.11Å; S285-S289 WeakPolarHBondContact O-CB 3.4Å; S285-S289 PolarHBondContact O-N 2.71Å; S285-S289 PolarHBondContact O-OG 2.74Å; S285-S289 PolarHBondContact OG-OG 2.91Å; S285-L296 WeakPolarHBondContact OG-CD1 3.28Å
286	F	62	Low	67.1	Low	86 Å²	86	56.7 Å²	56.7	38%	0.377	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-31.4	-178.4	-176.5	-100.7	0	0	0	111.6	Y282 T288 F328 A331	Y282-F286 HydrophobicContact CD1-CB 4.35Å; Y282-F286 HydrophobicContact CE1-CB 4.01Å; Y282-F286 AromaticContact CE1-CD2 3.91Å; Y282-F286 HydrophobicContact CE1-CD2 3.91Å; Y282-F286 HydrophobicContact CE1-CG 4.17Å; Y282-F286 AromaticContact CZ-CD2 3.69Å; Y282-F286 WeakPolarHBondContact O-CB 2.92Å; Y282-F286 PolarHBondContact O-N 2.68Å; Y282-F286 VanDerWaalsContact OH-CD2 3.26Å; Y282-F286 WeakPolarHBondContact OH-CD2 3.41Å; F286-T288 VanDerWaalsContact C-N 3.28Å; F286-T288 PolarHBondContact O-N 3.2Å; F286-F328 HydrophobicContact CB-CD2 4.35Å; F286-F328 HydrophobicContact CB-CE2 4.27Å; F286-F328 AromaticContact CD1-CD2 3.75Å; F286-F328 HydrophobicContact CD1-CD2 3.75Å; F286-F328 HydrophobicContact CD1-CE2 4.47Å; F286-F328 HydrophobicContact CE1-CB 4.37Å; F286-F328 HydrophobicContact CE1-CD2 4.16Å; F286-F328 AromaticContact CG-CD2 3.99Å; F286-F328 HydrophobicContact CG-CD2 3.99Å; F286-F328 HydrophobicContact CG-CE2 4.39Å; F286-A331 HydrophobicContact CE2-CB 4.14Å
287	L	53.3	Low	65.8	Low	136 Å²	136	57 Å²	57	71%	0.712	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.9	172.2	-64.7	172.8	0	0	0	113.4	S285	S285-L287 PolarHBondContact O-N 3.49Å
288	T	50.6	Low	64.7	Low	111 Å²	111	58.3 Å²	58.3	68%	0.681	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-19.8	-168.8	50.5	0	0	0	0	115.4	N284 S285 F286	N284-T288 PolarHBondContact O-OG1 3.33Å; S285-T288 VanDerWaalsContact CA-OG1 3.3Å; S285-T288 WeakPolarHBondContact CA-OG1 3.36Å; S285-T288 CarbonylContact O-C 3.49Å; S285-T288 WeakPolarHBondContact O-CA 3.48Å; S285-T288 PolarHBondContact O-N 2.91Å; S285-T288 PolarHBondContact O-OG1 3.25Å; S285-T288 VanDerWaalsContact O-OG1 3.11Å; F286-T288 VanDerWaalsContact C-N 3.28Å; F286-T288 PolarHBondContact O-N 3.2Å
289	S	51.9	Low	63.8	Low	37 Å²	37	59.9 Å²	59.9	26%	0.259	33%	0.328	S	S	.	.			trans	-119.2	109	-168.1	69.1	0	0	0	0	113.9	S285 Q291	S285-S289 WeakPolarHBondContact O-CB 3.4Å; S285-S289 PolarHBondContact O-N 2.71Å; S285-S289 PolarHBondContact O-OG 2.74Å; S285-S289 PolarHBondContact OG-OG 2.91Å; S289-Q291 PolarHBondContact O-N 2.64Å
290	K	47.8	Very low	62.9	Low	224 Å²	224	59 Å²	59	97%	0.974	32%	0.324	S	S	*	.			trans	-84.3	21.2	160.6	-72.5	-175.1	177.1	177.6	0	113
291	Q	47.4	Very low	62	Low	129 Å²	129	63.6 Å²	63.6	60%	0.603	34%	0.341	S	S	*	.	S	Bend	trans	-100.4	157.8	-172.7	-66.3	-173.9	-3.4	0	0	113.6	S289 S295	S289-Q291 PolarHBondContact O-N 2.64Å; Q291-S295 PolarHBondContact OE1-OG 3.09Å; Q291-S295 VanDerWaalsContact OE1-OG 3.05Å
292	G	56.4	Low	61.1	Low	55 Å²	55	72.1 Å²	72.1	57%	0.567	37%	0.373	S	S	*	.			trans	-61.4	161.3	-174.7	0	0	0	0	0	116.3	V294 S295 L296	G292-V294 PolarHBondContact O-N 2.86Å; G292-S295 WeakPolarHBondContact O-CB 3.37Å; G292-S295 PolarHBondContact O-N 3.03Å; G292-S295 VanDerWaalsContact O-N 3.09Å; G292-L296 PolarHBondContact O-N 2.77Å; G292-L296 VanDerWaalsContact O-N 3.13Å
293	I	57.5	Low	60.4	Low	91 Å²	91	72.7 Å²	72.7	47%	0.467	38%	0.379	S	S	.	.	H	α-helix	trans	-52.8	-41	-166.4	-65.8	155.4	0	0	0	114.8	L296 V297 L338	I293-L296 WeakPolarHBondContact O-CB 3.36Å; I293-L296 PolarHBondContact O-N 3Å; I293-V297 HydrophobicContact CG2-CG2 4.42Å; I293-V297 WeakPolarHBondContact O-CG2 3.47Å; I293-V297 PolarHBondContact O-N 2.86Å; I293-L338 HydrophobicContact CD1-CD2 3.66Å; I293-L338 HydrophobicContact CG1-CD2 4.26Å; I293-L338 HydrophobicContact CG2-CD1 3.75Å; I293-L338 HydrophobicContact CG2-CD2 4.17Å
294	V	57.9	Low	59.8	Low	67 Å²	67	74.4 Å²	74.4	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-70.4	-40.2	-178.3	178.8	0	0	0	0	111.3	G292 L296 V297 N298	G292-V294 PolarHBondContact O-N 2.86Å; V294-L296 VanDerWaalsContact C-N 3.32Å; V294-V297 PolarHBondContact O-N 3.19Å; V294-N298 WeakPolarHBondContact O-CB 3.48Å; V294-N298 PolarHBondContact O-N 3.44Å
295	S	58.3	Low	59.7	Low	46 Å²	46	73 Å²	73	32%	0.322	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-43.9	175.1	-176.8	0	0	0	0	110.2	Q291 G292 N298 T299	Q291-S295 PolarHBondContact OE1-OG 3.09Å; Q291-S295 VanDerWaalsContact OE1-OG 3.05Å; G292-S295 WeakPolarHBondContact O-CB 3.37Å; G292-S295 PolarHBondContact O-N 3.03Å; G292-S295 VanDerWaalsContact O-N 3.09Å; S295-N298 PolarHBondContact O-N 3.08Å; S295-T299 VanDerWaalsContact O-CB 3.23Å; S295-T299 WeakPolarHBondContact O-CB 3.37Å; S295-T299 PolarHBondContact O-N 3Å; S295-T299 PolarHBondContact O-OG1 3.23Å
296	L	62.7	Low	59.3	Low	18 Å²	18	75.7 Å²	75.7	9%	0.094	40%	0.403	C	S	.	.	H	α-helix	trans	-58.6	-54.5	175.6	176.4	76	0	0	0	111.9	Y282 S285 G292 I293 V294 N298 T299 V300	Y282-L296 HydrophobicContact CD2-CD1 3.91Å; Y282-L296 HydrophobicContact CD2-CD2 4.06Å; Y282-L296 HydrophobicContact CD2-CG 4.2Å; Y282-L296 HydrophobicContact CE2-CD1 3.81Å; Y282-L296 HydrophobicContact CE2-CD2 3.54Å; Y282-L296 HydrophobicContact CE2-CG 4.08Å; S285-L296 WeakPolarHBondContact OG-CD1 3.28Å; G292-L296 PolarHBondContact O-N 2.77Å; G292-L296 VanDerWaalsContact O-N 3.13Å; I293-L296 WeakPolarHBondContact O-CB 3.36Å; I293-L296 PolarHBondContact O-N 3Å; V294-L296 VanDerWaalsContact C-N 3.32Å; L296-N298 VanDerWaalsContact C-N 3.32Å; L296-N298 PolarHBondContact O-N 3.04Å; L296-T299 PolarHBondContact O-N 3.38Å; L296-T299 VanDerWaalsContact O-N 3.17Å; L296-V300 HydrophobicContact CD1-CG2 4.33Å; L296-V300 HydrophobicContact CG-CG2 4.49Å; L296-V300 WeakPolarHBondContact O-CB 3.4Å; L296-V300 VanDerWaalsContact O-CG2 3.25Å; L296-V300 WeakPolarHBondContact O-CG2 3.45Å; L296-V300 PolarHBondContact O-N 3.26Å
297	V	63.1	Low	59.3	Low	10 Å²	10	80.8 Å²	80.8	6%	0.061	42%	0.421	C	S	.	.	H	α-helix	trans	-60.4	-42.3	-179	171.8	0	0	0	0	111.4	I293 V294 V300 Y301 W667	I293-V297 HydrophobicContact CG2-CG2 4.42Å; I293-V297 WeakPolarHBondContact O-CG2 3.47Å; I293-V297 PolarHBondContact O-N 2.86Å; V294-V297 PolarHBondContact O-N 3.19Å; V297-V300 PolarHBondContact O-N 2.9Å; V297-Y301 WeakPolarHBondContact O-CB 3.47Å; V297-Y301 PolarHBondContact O-N 2.88Å; V297-W667 HydrophobicContact CB-CZ2 4.24Å; V297-W667 HydrophobicContact CG1-CH2 4.31Å; V297-W667 HydrophobicContact CG1-CZ2 3.52Å; V297-W667 HydrophobicContact CG2-CZ2 3.71Å
298	N	63.9	Low	60.4	Low	46 Å²	46	76.9 Å²	76.9	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-66.1	-40	176.9	-80.4	-19.1	0	0	0	112.1	V294 S295 L296 Y301 R302	V294-N298 WeakPolarHBondContact O-CB 3.48Å; V294-N298 PolarHBondContact O-N 3.44Å; S295-N298 PolarHBondContact O-N 3.08Å; L296-N298 VanDerWaalsContact C-N 3.32Å; L296-N298 PolarHBondContact O-N 3.04Å; N298-Y301 PolarHBondContact O-N 3.45Å; N298-R302 VanDerWaalsContact O-CB 3.31Å; N298-R302 WeakPolarHBondContact O-CB 3.46Å; N298-R302 VanDerWaalsContact O-CG 3.25Å; N298-R302 WeakPolarHBondContact O-CG 3.11Å; N298-R302 PolarHBondContact O-N 2.87Å
299	T	65.5	Low	62.1	Low	63 Å²	63	73.6 Å²	73.6	39%	0.387	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-44.1	177.2	-60	0	0	0	0	110.7	S295 L296 R302 S303	S295-T299 VanDerWaalsContact O-CB 3.23Å; S295-T299 WeakPolarHBondContact O-CB 3.37Å; S295-T299 PolarHBondContact O-N 3Å; S295-T299 PolarHBondContact O-OG1 3.23Å; L296-T299 PolarHBondContact O-N 3.38Å; L296-T299 VanDerWaalsContact O-N 3.17Å; T299-R302 PolarHBondContact O-N 2.99Å; T299-S303 VanDerWaalsContact O-CB 3.29Å; T299-S303 WeakPolarHBondContact O-CB 3.5Å; T299-S303 PolarHBondContact O-N 2.98Å
300	V	65.7	Low	64.1	Low	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-49.1	175	173.7	0	0	0	0	110.7	F278 Y282 L296 V297 R302 S303 V304	F278-V300 HydrophobicContact CD2-CB 4.36Å; F278-V300 HydrophobicContact CD2-CG1 3.37Å; F278-V300 HydrophobicContact CE2-CB 3.96Å; F278-V300 HydrophobicContact CE2-CG1 3.43Å; F278-V300 VanDerWaalsContact CE2-CG1 3.43Å; F278-V300 HydrophobicContact CG-CG1 3.98Å; F278-V300 HydrophobicContact CZ-CB 4.49Å; F278-V300 HydrophobicContact CZ-CG1 4.06Å; F278-V300 WeakPolarHBondContact O-CG1 3.48Å; Y282-V300 HydrophobicContact CD2-CG2 4.25Å; L296-V300 HydrophobicContact CD1-CG2 4.33Å; L296-V300 HydrophobicContact CG-CG2 4.49Å; L296-V300 WeakPolarHBondContact O-CB 3.4Å; L296-V300 VanDerWaalsContact O-CG2 3.25Å; L296-V300 WeakPolarHBondContact O-CG2 3.45Å; L296-V300 PolarHBondContact O-N 3.26Å; V297-V300 PolarHBondContact O-N 2.9Å; V300-R302 VanDerWaalsContact C-N 3.33Å; V300-R302 PolarHBondContact O-N 3.26Å; V300-S303 PolarHBondContact O-N 2.83Å; V300-V304 HydrophobicContact CG1-CG2 4.26Å; V300-V304 WeakPolarHBondContact O-CB 3.41Å; V300-V304 VanDerWaalsContact O-CG2 3.26Å; V300-V304 WeakPolarHBondContact O-CG2 3.22Å; V300-V304 PolarHBondContact O-N 2.8Å
301	Y	66.1	Low	66.2	Low	100 Å²	100	65.9 Å²	65.9	39%	0.392	35%	0.349	S	S	.	.	H	α-helix	trans	-58.2	-45.8	178	179.2	-94.1	0	0	0	111.3	V297 N298 V304 T305 L670	V297-Y301 WeakPolarHBondContact O-CB 3.47Å; V297-Y301 PolarHBondContact O-N 2.88Å; N298-Y301 PolarHBondContact O-N 3.45Å; Y301-V304 PolarHBondContact O-N 2.91Å; Y301-T305 HydrophobicContact CD1-CG2 4.16Å; Y301-T305 HydrophobicContact CD2-CG2 4.11Å; Y301-T305 HydrophobicContact CE1-CG2 3.74Å; Y301-T305 HydrophobicContact CE2-CG2 3.69Å; Y301-T305 HydrophobicContact CG-CG2 4.33Å; Y301-T305 VanDerWaalsContact CZ-CG2 3.49Å; Y301-T305 WeakPolarHBondContact O-CB 3.34Å; Y301-T305 WeakPolarHBondContact O-CG2 3.34Å; Y301-T305 PolarHBondContact O-N 3.46Å; Y301-T305 PolarHBondContact O-OG1 3.38Å; Y301-L670 HydrophobicContact CD2-CD1 4.13Å; Y301-L670 HydrophobicContact CE2-CD1 4.04Å; Y301-L670 HydrophobicContact CE2-CD2 3.93Å
302	R	64.5	Low	68.2	Low	180 Å²	180	63 Å²	63	68%	0.679	34%	0.338	S	S	*	.	H	α-helix	trans	-60.3	-51.9	174.1	-75	179.1	-180	-157.7	0.8	110.5	N298 T299 V300 V304 T305 S306	N298-R302 VanDerWaalsContact O-CB 3.31Å; N298-R302 WeakPolarHBondContact O-CB 3.46Å; N298-R302 VanDerWaalsContact O-CG 3.25Å; N298-R302 WeakPolarHBondContact O-CG 3.11Å; N298-R302 PolarHBondContact O-N 2.87Å; T299-R302 PolarHBondContact O-N 2.99Å; V300-R302 VanDerWaalsContact C-N 3.33Å; V300-R302 PolarHBondContact O-N 3.26Å; R302-V304 VanDerWaalsContact C-N 3.27Å; R302-V304 PolarHBondContact O-N 3.23Å; R302-T305 PolarHBondContact O-N 2.78Å; R302-T305 VanDerWaalsContact O-N 3.17Å; R302-T305 PolarHBondContact O-OG1 3.05Å; R302-S306 WeakPolarHBondContact O-CB 3.16Å; R302-S306 PolarHBondContact O-N 3.45Å; R302-S306 PolarHBondContact O-OG 3.41Å
303	S	63.8	Low	69.9	Low	25 Å²	25	61.2 Å²	61.2	18%	0.175	31%	0.314	C	S	.	.	H	α-helix	trans	-53.2	-43.6	177.7	178.1	0	0	0	0	112.9	T299 V300 Y307	T299-S303 VanDerWaalsContact O-CB 3.29Å; T299-S303 WeakPolarHBondContact O-CB 3.5Å; T299-S303 PolarHBondContact O-N 2.98Å; V300-S303 PolarHBondContact O-N 2.83Å; S303-Y307 PolarHBondContact O-N 3.01Å
304	V	63.7	Low	71.6	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-46.3	178.2	172.3	0	0	0	0	112.1	S277 V300 Y301 R302	S277-V304 WeakPolarHBondContact O-CG2 3.48Å; V300-V304 HydrophobicContact CG1-CG2 4.26Å; V300-V304 WeakPolarHBondContact O-CB 3.41Å; V300-V304 VanDerWaalsContact O-CG2 3.26Å; V300-V304 WeakPolarHBondContact O-CG2 3.22Å; V300-V304 PolarHBondContact O-N 2.8Å; Y301-V304 PolarHBondContact O-N 2.91Å; R302-V304 VanDerWaalsContact C-N 3.27Å; R302-V304 PolarHBondContact O-N 3.23Å
305	T	65.2	Low	73.2	Confident	65 Å²	65	59.7 Å²	59.7	40%	0.399	30%	0.299	S	S	.	.	H	α-helix	trans	-77.2	-31.3	-175	51.5	0	0	0	0	113.4	Y301 R302	Y301-T305 HydrophobicContact CD1-CG2 4.16Å; Y301-T305 HydrophobicContact CD2-CG2 4.11Å; Y301-T305 HydrophobicContact CE1-CG2 3.74Å; Y301-T305 HydrophobicContact CE2-CG2 3.69Å; Y301-T305 HydrophobicContact CG-CG2 4.33Å; Y301-T305 VanDerWaalsContact CZ-CG2 3.49Å; Y301-T305 WeakPolarHBondContact O-CB 3.34Å; Y301-T305 WeakPolarHBondContact O-CG2 3.34Å; Y301-T305 PolarHBondContact O-N 3.46Å; Y301-T305 PolarHBondContact O-OG1 3.38Å; R302-T305 PolarHBondContact O-N 2.78Å; R302-T305 VanDerWaalsContact O-N 3.17Å; R302-T305 PolarHBondContact O-OG1 3.05Å
306	S	58.7	Low	74.6	Confident	62 Å²	62	59 Å²	59	43%	0.434	29%	0.291	S	S	.	.	H	α-helix	trans	-103.4	-16.3	-171.9	68	0	0	0	0	115.3	R302	R302-S306 WeakPolarHBondContact O-CB 3.16Å; R302-S306 PolarHBondContact O-N 3.45Å; R302-S306 PolarHBondContact O-OG 3.41Å
307	Y	61.5	Low	75.9	Confident	193 Å²	193	58.1 Å²	58.1	76%	0.757	29%	0.286	S	S	*	.	H	α-helix	trans	-140.8	-12.2	-167.6	-69.2	-65.6	0	0	0	119.2	S303	S303-Y307 PolarHBondContact O-N 3.01Å
308	L	75.7	Confident	77.2	Confident	55 Å²	55	58 Å²	58	29%	0.288	29%	0.286	S	S	.	.			trans	-102.5	106.4	-171.6	-153.7	65.1	0	0	0	112.7	A280 D312 R313	A280-L308 HydrophobicContact CB-CD2 3.58Å; L308-D312 HydrophobicContact CD1-CB 3.49Å; L308-D312 VanDerWaalsContact CD1-CB 3.49Å; L308-D312 HydrophobicContact CG-CB 4.17Å; L308-R313 VanDerWaalsContact CD2-CA 3.46Å; L308-R313 HydrophobicContact CD2-CB 3.53Å; L308-R313 HydrophobicContact CD2-CG 3.87Å; L308-R313 HydrophobicContact CG-CB 3.78Å
309	S	87.9	Confident	78.3	Confident	42 Å²	42	62 Å²	62	29%	0.294	30%	0.301	S	S	.	.			trans	-61.2	156.3	168.2	80.8	0	0	0	0	110.2	E311 D312 R313	S309-E311 PolarHBondContact O-N 3.14Å; S309-D312 WeakPolarHBondContact CB-OD2 3.32Å; S309-D312 PolarHBondContact O-N 3.4Å; S309-D312 VanDerWaalsContact O-N 3.15Å; S309-D312 PolarHBondContact OG-N 3.22Å; S309-D312 VanDerWaalsContact OG-N 3.15Å; S309-D312 PolarHBondContact OG-OD2 3.02Å; S309-R313 WeakPolarHBondContact O-CB 3.27Å; S309-R313 PolarHBondContact O-N 3.12Å
310	P	92.3	Very high	79.2	Confident	42 Å²	42	59.6 Å²	59.6	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-52.8	-39.4	176.3	-28.8	36.6	0	0	0	113	G257 R258 R313 G314	G257-P310 VanDerWaalsContact CA-O 3.25Å; G257-P310 WeakPolarHBondContact CA-O 3.35Å; R258-P310 HydrophobicContact CG-CB 3.61Å; R258-P310 HydrophobicContact CG-CG 4.08Å; P310-R313 WeakPolarHBondContact O-CB 3.42Å; P310-R313 PolarHBondContact O-N 3.15Å; P310-G314 PolarHBondContact O-N 3.07Å
311	E	92.7	Very high	80	Confident	57 Å²	57	59.8 Å²	59.8	27%	0.266	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-42	179.2	-73.3	60.9	-135.3	0	0	112	R258 S309 R313 G314 K315	R258-E311 WeakPolarHBondContact CG-OE1 3.48Å; R258-E311 IonicContact CZ-OE1 2.71Å; R258-E311 IonicContact CZ-OE2 3.74Å; R258-E311 IonicContact NH1-OE1 3.62Å; R258-E311 PolarHBondContact NH1-OE1 3.14Å; R258-E311 IonicContact NH1-OE2 2.85Å; R258-E311 PolarHBondContact NH1-OE2 2.52Å; R258-E311 IonicContact NH2-OE2 3.74Å; S309-E311 PolarHBondContact O-N 3.14Å; E311-R313 VanDerWaalsContact C-N 3.26Å; E311-R313 PolarHBondContact O-N 3.07Å; E311-G314 WeakPolarHBondContact O-CA 3.31Å; E311-G314 PolarHBondContact O-N 3.25Å; E311-G314 VanDerWaalsContact O-N 3.1Å; E311-K315 WeakPolarHBondContact O-CG 3.47Å; E311-K315 PolarHBondContact O-N 3.27Å
312	D	90.2	Very high	80.8	Confident	69 Å²	69	59.1 Å²	59.1	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-66.5	-36	178.1	-60.3	-38.8	0	0	0	110.6	L308 S309 K315 M316	L308-D312 HydrophobicContact CD1-CB 3.49Å; L308-D312 VanDerWaalsContact CD1-CB 3.49Å; L308-D312 HydrophobicContact CG-CB 4.17Å; S309-D312 WeakPolarHBondContact CB-OD2 3.32Å; S309-D312 PolarHBondContact O-N 3.4Å; S309-D312 VanDerWaalsContact O-N 3.15Å; S309-D312 PolarHBondContact OG-N 3.22Å; S309-D312 VanDerWaalsContact OG-N 3.15Å; S309-D312 PolarHBondContact OG-OD2 3.02Å; D312-K315 PolarHBondContact O-N 3.33Å; D312-M316 VanDerWaalsContact O-CB 3.3Å; D312-M316 WeakPolarHBondContact O-CB 3.34Å; D312-M316 PolarHBondContact O-N 2.6Å
313	R	90.5	Very high	81.4	Confident	16 Å²	16	54.3 Å²	54.3	6%	0.06	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-48.2	168.8	-174.6	-168.6	64.6	175.4	-2.4	110.9	Y256 G257 S277 A280 L308 S309 P310 E311 K315 M316 L317	Y256-R313 PolarHBondContact O-NE 3.11Å; Y256-R313 PolarHBondContact O-NH2 2.76Å; G257-R313 PolarHBondContact O-NH2 3.45Å; S277-R313 VanDerWaalsContact OG-CD 3.32Å; S277-R313 WeakPolarHBondContact OG-CD 3.41Å; S277-R313 PolarHBondContact OG-NH1 3.44Å; A280-R313 HydrophobicContact CB-CG 3.86Å; L308-R313 VanDerWaalsContact CD2-CA 3.46Å; L308-R313 HydrophobicContact CD2-CB 3.53Å; L308-R313 HydrophobicContact CD2-CG 3.87Å; L308-R313 HydrophobicContact CG-CB 3.78Å; S309-R313 WeakPolarHBondContact O-CB 3.27Å; S309-R313 PolarHBondContact O-N 3.12Å; P310-R313 WeakPolarHBondContact O-CB 3.42Å; P310-R313 PolarHBondContact O-N 3.15Å; E311-R313 VanDerWaalsContact C-N 3.26Å; E311-R313 PolarHBondContact O-N 3.07Å; R313-K315 VanDerWaalsContact C-N 3.35Å; R313-K315 PolarHBondContact O-N 3.07Å; R313-M316 PolarHBondContact O-N 2.85Å; R313-L317 HydrophobicContact CG-CD1 3.71Å; R313-L317 HydrophobicContact CG-CG 4.3Å; R313-L317 WeakPolarHBondContact O-CB 3.36Å; R313-L317 VanDerWaalsContact O-CG 3.24Å; R313-L317 WeakPolarHBondContact O-CG 3.43Å; R313-L317 PolarHBondContact O-N 2.95Å
314	G	93.4	Very high	81.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-46.3	178.8	0	0	0	0	0	112.5	P310 E311 L317 A318	P310-G314 PolarHBondContact O-N 3.07Å; E311-G314 WeakPolarHBondContact O-CA 3.31Å; E311-G314 PolarHBondContact O-N 3.25Å; E311-G314 VanDerWaalsContact O-N 3.1Å; G314-L317 PolarHBondContact O-N 3.23Å; G314-A318 WeakPolarHBondContact O-CB 3.37Å; G314-A318 PolarHBondContact O-N 3.47Å
315	K	92.1	Very high	82.5	Confident	126 Å²	126	54.4 Å²	54.4	55%	0.548	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-44.7	176.1	-69.8	172.1	-174.8	170.3	0	112.1	E253 E311 D312 R313 L317 A318 K319	E253-K315 HydrophobicContact CB-CG 4.25Å; E311-K315 WeakPolarHBondContact O-CG 3.47Å; E311-K315 PolarHBondContact O-N 3.27Å; D312-K315 PolarHBondContact O-N 3.33Å; R313-K315 VanDerWaalsContact C-N 3.35Å; R313-K315 PolarHBondContact O-N 3.07Å; K315-L317 VanDerWaalsContact C-N 3.35Å; K315-A318 PolarHBondContact O-N 2.71Å; K315-K319 WeakPolarHBondContact O-CB 3.36Å; K315-K319 PolarHBondContact O-N 2.67Å
316	M	87.8	Confident	83.4	Confident	31 Å²	31	52 Å²	52	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-43.3	178.6	-175.3	57.6	171.8	0	0	111.2	A280 G283 N284 D312 R313 K319 L320	A280-M316 HydrophobicContact CB-CB 4.27Å; A280-M316 HydrophobicContact CB-CG 4.06Å; G283-M316 VanDerWaalsContact C-CE 3.44Å; N284-M316 HydrophobicContact CB-CE 4.12Å; N284-M316 VanDerWaalsContact N-CE 3.33Å; D312-M316 VanDerWaalsContact O-CB 3.3Å; D312-M316 WeakPolarHBondContact O-CB 3.34Å; D312-M316 PolarHBondContact O-N 2.6Å; R313-M316 PolarHBondContact O-N 2.85Å; M316-K319 PolarHBondContact O-N 3Å; M316-L320 HydrophobicContact CE-CD1 3.99Å; M316-L320 HydrophobicContact CE-CD2 4Å; M316-L320 HydrophobicContact CE-CG 3.99Å; M316-L320 HydrophobicContact CG-CD1 4.01Å; M316-L320 HydrophobicContact CG-CG 4.34Å; M316-L320 WeakPolarHBondContact O-CB 3.3Å; M316-L320 VanDerWaalsContact O-CG 3.29Å; M316-L320 WeakPolarHBondContact O-CG 3.39Å; M316-L320 PolarHBondContact O-N 3.19Å; M316-L320 HydrophobicContact SD-CD1 4.44Å; M316-L320 HydrophobicContact SD-CG 4.24Å
317	L	89.6	Confident	84.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-44.9	176	-70.8	168.5	0	0	0	112	Y256 N276 M279 A280 R313 G314 K315 K319 L320 T321	Y256-L317 HydrophobicContact CD2-CB 3.78Å; Y256-L317 HydrophobicContact CG-CB 3.97Å; Y256-L317 HydrophobicContact CG-CD1 4.38Å; N276-L317 HydrophobicContact CB-CD1 3.73Å; N276-L317 HydrophobicContact CB-CD2 4.28Å; N276-L317 WeakPolarHBondContact O-CD2 3.46Å; M279-L317 HydrophobicContact CB-CD2 4.19Å; M279-L317 HydrophobicContact CE-CD2 3.25Å; M279-L317 HydrophobicContact CG-CD2 4.3Å; A280-L317 HydrophobicContact CB-CD2 4.2Å; A280-L317 HydrophobicContact CB-CG 4.14Å; R313-L317 HydrophobicContact CG-CD1 3.71Å; R313-L317 HydrophobicContact CG-CG 4.3Å; R313-L317 WeakPolarHBondContact O-CB 3.36Å; R313-L317 VanDerWaalsContact O-CG 3.24Å; R313-L317 WeakPolarHBondContact O-CG 3.43Å; R313-L317 PolarHBondContact O-N 2.95Å; G314-L317 PolarHBondContact O-N 3.23Å; K315-L317 VanDerWaalsContact C-N 3.35Å; L317-K319 VanDerWaalsContact C-N 3.27Å; L317-K319 PolarHBondContact O-N 3.42Å; L317-L320 PolarHBondContact O-N 2.57Å; L317-T321 VanDerWaalsContact O-CB 3.3Å; L317-T321 WeakPolarHBondContact O-CB 3.48Å; L317-T321 WeakPolarHBondContact O-CG2 3.11Å; L317-T321 PolarHBondContact O-N 2.67Å; L317-T321 PolarHBondContact O-OG1 2.91Å
318	A	90.6	Very high	85.5	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-40.9	175.1	0	0	0	0	0	111.7	Q252 E253 Y256 G314 K315 T321 R322	Q252-A318 HydrophobicContact CB-CB 3.98Å; E253-A318 HydrophobicContact CB-CB 3.96Å; Y256-A318 HydrophobicContact CD2-CB 4.46Å; G314-A318 WeakPolarHBondContact O-CB 3.37Å; G314-A318 PolarHBondContact O-N 3.47Å; K315-A318 PolarHBondContact O-N 2.71Å; A318-T321 PolarHBondContact O-OG1 3.04Å; A318-R322 WeakPolarHBondContact O-CB 3.49Å; A318-R322 WeakPolarHBondContact O-CG 3.32Å; A318-R322 PolarHBondContact O-N 3.1Å
319	K	86.9	Confident	85.8	Confident	131 Å²	131	42.1 Å²	42.1	57%	0.57	22%	0.218	S	C	*	.	H	α-helix	trans	-63.5	-56.9	174.1	-176.5	-179.1	178.9	-177.7	0	111.4	K315 M316 L317 T321 R322 S323	K315-K319 WeakPolarHBondContact O-CB 3.36Å; K315-K319 PolarHBondContact O-N 2.67Å; M316-K319 PolarHBondContact O-N 3Å; L317-K319 VanDerWaalsContact C-N 3.27Å; L317-K319 PolarHBondContact O-N 3.42Å; K319-T321 VanDerWaalsContact C-N 3.35Å; K319-T321 PolarHBondContact O-N 2.79Å; K319-R322 PolarHBondContact O-N 3.25Å; K319-S323 WeakPolarHBondContact O-CB 3.45Å; K319-S323 PolarHBondContact O-N 3.06Å; K319-S323 PolarHBondContact O-OG 2.79Å
320	L	83.5	Confident	85.6	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.068	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-47.4	-178.3	-72.2	172.5	0	0	0	111.5	M279 M316 L317 R322 S323 S324 F328	M279-L320 HydrophobicContact CG-CD1 4.44Å; M316-L320 HydrophobicContact CE-CD1 3.99Å; M316-L320 HydrophobicContact CE-CD2 4Å; M316-L320 HydrophobicContact CE-CG 3.99Å; M316-L320 HydrophobicContact CG-CD1 4.01Å; M316-L320 HydrophobicContact CG-CG 4.34Å; M316-L320 WeakPolarHBondContact O-CB 3.3Å; M316-L320 VanDerWaalsContact O-CG 3.29Å; M316-L320 WeakPolarHBondContact O-CG 3.39Å; M316-L320 PolarHBondContact O-N 3.19Å; M316-L320 HydrophobicContact SD-CD1 4.44Å; M316-L320 HydrophobicContact SD-CG 4.24Å; L317-L320 PolarHBondContact O-N 2.57Å; L320-R322 VanDerWaalsContact C-N 3.28Å; L320-R322 PolarHBondContact O-N 2.99Å; L320-S323 PolarHBondContact O-N 2.99Å; L320-S324 VanDerWaalsContact C-OG 3.29Å; L320-S324 WeakPolarHBondContact O-CA 3.46Å; L320-S324 WeakPolarHBondContact O-CB 3.43Å; L320-S324 PolarHBondContact O-N 3.03Å; L320-S324 PolarHBondContact O-OG 3.26Å; L320-F328 HydrophobicContact CD1-CZ 4.34Å; L320-F328 HydrophobicContact CD2-CE2 4.43Å; L320-F328 HydrophobicContact CD2-CZ 4.19Å
321	T	83.5	Confident	85.1	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-30.4	-175.3	55.9	0	0	0	0	112.5	M279 L317 A318 K319 P621 G623	M279-T321 HydrophobicContact CE-CG2 4.14Å; L317-T321 VanDerWaalsContact O-CB 3.3Å; L317-T321 WeakPolarHBondContact O-CB 3.48Å; L317-T321 WeakPolarHBondContact O-CG2 3.11Å; L317-T321 PolarHBondContact O-N 2.67Å; L317-T321 PolarHBondContact O-OG1 2.91Å; A318-T321 PolarHBondContact O-OG1 3.04Å; K319-T321 VanDerWaalsContact C-N 3.35Å; K319-T321 PolarHBondContact O-N 2.79Å; T321-P621 HydrophobicContact CG2-CB 3.79Å; T321-P621 HydrophobicContact CG2-CG 3.41Å; T321-P621 VanDerWaalsContact CG2-CG 3.41Å; T321-G623 CarbonylContact O-C 3.52Å; T321-G623 VanDerWaalsContact O-C 3.3Å; T321-G623 WeakPolarHBondContact O-CA 3.47Å
322	R	82.9	Confident	84.6	Confident	85 Å²	85	39.6 Å²	39.6	32%	0.321	20%	0.203	S	C	.	.	H	α-helix	trans	-81.2	-38.3	172.4	-72.6	-170.5	159.7	110.9	-8.9	114	D248 I250 Q252 A318 K319 L320	D248-R322 PolarHBondContact O-NH2 3.4Å; I250-R322 PolarHBondContact O-NH2 3.15Å; Q252-R322 VanDerWaalsContact CG-NH1 3.3Å; Q252-R322 VanDerWaalsContact OE1-CG 3.28Å; A318-R322 WeakPolarHBondContact O-CB 3.49Å; A318-R322 WeakPolarHBondContact O-CG 3.32Å; A318-R322 PolarHBondContact O-N 3.1Å; K319-R322 PolarHBondContact O-N 3.25Å; L320-R322 VanDerWaalsContact C-N 3.28Å; L320-R322 PolarHBondContact O-N 2.99Å
323	S	76.2	Confident	84.1	Confident	80 Å²	80	39.2 Å²	39.2	56%	0.559	20%	0.196	S	C	*	.	H	α-helix	trans	-113.8	-2.8	-165.8	82.6	0	0	0	0	115.9	K319 L320	K319-S323 WeakPolarHBondContact O-CB 3.45Å; K319-S323 PolarHBondContact O-N 3.06Å; K319-S323 PolarHBondContact O-OG 2.79Å; L320-S323 PolarHBondContact O-N 2.99Å
324	S	72.2	Confident	83.5	Confident	17 Å²	17	41 Å²	41	12%	0.119	21%	0.207	C	C	.	.			trans	-61.7	170.9	177.7	-69.3	0	0	0	0	110.8	L320 F328 K627	L320-S324 VanDerWaalsContact C-OG 3.29Å; L320-S324 WeakPolarHBondContact O-CA 3.46Å; L320-S324 WeakPolarHBondContact O-CB 3.43Å; L320-S324 PolarHBondContact O-N 3.03Å; L320-S324 PolarHBondContact O-OG 3.26Å; S324-F328 VanDerWaalsContact CB-CD1 3.42Å; S324-F328 WeakPolarHBondContact OG-CD1 3.43Å; S324-F328 WeakPolarHBondContact OG-CE1 3.33Å; S324-K627 WeakPolarHBondContact O-CE 3.48Å; S324-K627 PolarHBondContact O-NZ 2.91Å
325	S	79	Confident	82.5	Confident	48 Å²	48	42.4 Å²	42.4	34%	0.336	22%	0.215	S	C	.	.			trans	-99.9	168.7	168.9	62.6	0	0	0	0	111.1	Q327 F328 C329	S325-Q327 PolarHBondContact O-N 2.91Å; S325-Q327 PolarHBondContact OG-N 3.06Å; S325-F328 WeakPolarHBondContact O-CB 3.46Å; S325-F328 PolarHBondContact O-N 3.04Å; S325-F328 PolarHBondContact OG-N 3.14Å; S325-F328 VanDerWaalsContact OG-N 3.1Å; S325-C329 PolarHBondContact O-N 2.88Å; S325-C329 PolarHBondContact O-SG 3.32Å; S325-C329 VanDerWaalsContact O-SG 3.32Å
326	V	83.5	Confident	81.4	Confident	15 Å²	15	38.8 Å²	38.8	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-35	168.8	65.2	0	0	0	0	111	F328 C329 K330 I499 P530 K627 A631	V326-F328 PolarHBondContact O-N 2.91Å; V326-C329 WeakPolarHBondContact O-CB 3.1Å; V326-C329 PolarHBondContact O-N 3.47Å; V326-K330 WeakPolarHBondContact O-CB 3.16Å; V326-K330 PolarHBondContact O-N 2.96Å; V326-I499 HydrophobicContact CG2-CB 4.43Å; V326-I499 HydrophobicContact CG2-CD1 3.82Å; V326-I499 HydrophobicContact CG2-CG2 4.01Å; V326-P530 HydrophobicContact CG1-CG 4.26Å; V326-K627 HydrophobicContact CB-CB 4.27Å; V326-A631 HydrophobicContact CG2-CB 3.91Å
327	Q	82.1	Confident	80.3	Confident	88 Å²	88	39.3 Å²	39.3	41%	0.411	21%	0.21	S	C	.	.	H	α-helix	trans	-66.8	-36.4	178.4	-64.4	-59.7	-25.1	0	0	112.7	S325 A331	S325-Q327 PolarHBondContact O-N 2.91Å; S325-Q327 PolarHBondContact OG-N 3.06Å; Q327-A331 VanDerWaalsContact O-CB 3.24Å; Q327-A331 WeakPolarHBondContact O-CB 3.38Å; Q327-A331 PolarHBondContact O-N 2.92Å
328	F	83.2	Confident	79	Confident	10 Å²	10	41.1 Å²	41.1	4%	0.044	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-46.1	171.5	173.6	-91.7	0	0	0	111.4	M279 Y282 F286 L320 S324 S325 V326 K330 A331 F332	M279-F328 HydrophobicContact CG-CE1 4.45Å; M279-F328 HydrophobicContact CG-CZ 4.28Å; Y282-F328 HydrophobicContact CD1-CD2 4.42Å; Y282-F328 AromaticContact CD1-CE2 3.53Å; Y282-F328 HydrophobicContact CD1-CE2 3.53Å; Y282-F328 AromaticContact CD1-CZ 3.93Å; Y282-F328 HydrophobicContact CD1-CZ 3.93Å; Y282-F328 HydrophobicContact CE1-CD2 4.11Å; Y282-F328 AromaticContact CE1-CE2 3.67Å; Y282-F328 HydrophobicContact CE1-CE2 3.67Å; Y282-F328 HydrophobicContact CE1-CZ 4.35Å; F286-F328 HydrophobicContact CB-CD2 4.35Å; F286-F328 HydrophobicContact CB-CE2 4.27Å; F286-F328 AromaticContact CD1-CD2 3.75Å; F286-F328 HydrophobicContact CD1-CD2 3.75Å; F286-F328 HydrophobicContact CD1-CE2 4.47Å; F286-F328 HydrophobicContact CE1-CB 4.37Å; F286-F328 HydrophobicContact CE1-CD2 4.16Å; F286-F328 AromaticContact CG-CD2 3.99Å; F286-F328 HydrophobicContact CG-CD2 3.99Å; F286-F328 HydrophobicContact CG-CE2 4.39Å; L320-F328 HydrophobicContact CD1-CZ 4.34Å; L320-F328 HydrophobicContact CD2-CE2 4.43Å; L320-F328 HydrophobicContact CD2-CZ 4.19Å; S324-F328 VanDerWaalsContact CB-CD1 3.42Å; S324-F328 WeakPolarHBondContact OG-CD1 3.43Å; S324-F328 WeakPolarHBondContact OG-CE1 3.33Å; S325-F328 WeakPolarHBondContact O-CB 3.46Å; S325-F328 PolarHBondContact O-N 3.04Å; S325-F328 PolarHBondContact OG-N 3.14Å; S325-F328 VanDerWaalsContact OG-N 3.1Å; V326-F328 PolarHBondContact O-N 2.91Å; F328-K330 VanDerWaalsContact C-N 3.35Å; F328-K330 PolarHBondContact O-N 3.5Å; F328-A331 PolarHBondContact O-N 3.08Å; F328-F332 WeakPolarHBondContact O-CB 3.19Å; F328-F332 PolarHBondContact O-N 3.16Å
329	C	82.7	Confident	77.1	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-46.9	179.8	-56.5	0	0	0	0	110.7	S325 V326 F332 W333 I499	S325-C329 PolarHBondContact O-N 2.88Å; S325-C329 PolarHBondContact O-SG 3.32Å; S325-C329 VanDerWaalsContact O-SG 3.32Å; V326-C329 WeakPolarHBondContact O-CB 3.1Å; V326-C329 PolarHBondContact O-N 3.47Å; C329-F332 PolarHBondContact O-N 2.93Å; C329-W333 WeakPolarHBondContact O-CB 3.32Å; C329-W333 PolarHBondContact O-N 3.36Å; C329-I499 HydrophobicContact CB-CD1 3.93Å
330	K	83.5	Confident	75.6	Confident	31 Å²	31	43.9 Å²	43.9	14%	0.135	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-48.6	176	-174	171.6	-175.4	174.6	0	111.9	V326 F328 F332 N334 I499 E531	V326-K330 WeakPolarHBondContact O-CB 3.16Å; V326-K330 PolarHBondContact O-N 2.96Å; F328-K330 VanDerWaalsContact C-N 3.35Å; F328-K330 PolarHBondContact O-N 3.5Å; K330-F332 PolarHBondContact O-N 2.85Å; K330-N334 VanDerWaalsContact O-CB 3.23Å; K330-N334 WeakPolarHBondContact O-CB 3.11Å; K330-N334 PolarHBondContact O-N 2.86Å; K330-N334 PolarHBondContact O-ND2 3.28Å; K330-I499 WeakPolarHBondContact CD-O 3.4Å; K330-I499 WeakPolarHBondContact CE-O 3.47Å; K330-I499 WeakPolarHBondContact CG-O 3.43Å; K330-E531 IonicContact NZ-OE1 3.93Å; K330-E531 PolarHBondContact NZ-OE1 2.74Å; K330-E531 IonicContact NZ-OE2 3.19Å; K330-E531 PolarHBondContact NZ-OE2 2.71Å
331	A	81	Confident	74.4	Confident	32 Å²	32	45.3 Å²	45.3	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-43.4	179.1	0	0	0	0	0	112.1	F286 Q327 F328	F286-A331 HydrophobicContact CE2-CB 4.14Å; Q327-A331 VanDerWaalsContact O-CB 3.24Å; Q327-A331 WeakPolarHBondContact O-CB 3.38Å; Q327-A331 PolarHBondContact O-N 2.92Å; F328-A331 PolarHBondContact O-N 3.08Å
332	F	81.4	Confident	73.3	Confident	26 Å²	26	46.5 Å²	46.5	11%	0.114	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-47.9	179.9	-177.4	-103	0	0	0	112.4	F278 M279 Y282 F328 C329 K330 N334 L335	F278-F332 AromaticContact CD1-CE2 3.66Å; F278-F332 HydrophobicContact CD1-CE2 3.66Å; F278-F332 HydrophobicContact CD1-CZ 4.15Å; F278-F332 AromaticContact CE1-CE2 3.99Å; F278-F332 HydrophobicContact CE1-CE2 3.99Å; M279-F332 HydrophobicContact CB-CE1 4.15Å; M279-F332 HydrophobicContact CB-CE2 3.73Å; M279-F332 HydrophobicContact CB-CZ 3.51Å; M279-F332 HydrophobicContact CG-CD1 4.49Å; M279-F332 HydrophobicContact CG-CD2 4.35Å; M279-F332 HydrophobicContact CG-CE1 4.18Å; M279-F332 HydrophobicContact CG-CE2 4.01Å; M279-F332 HydrophobicContact CG-CZ 3.94Å; M279-F332 HydrophobicContact SD-CD1 4.2Å; M279-F332 HydrophobicContact SD-CE1 3.98Å; M279-F332 HydrophobicContact SD-CZ 4.32Å; Y282-F332 HydrophobicContact CD1-CB 4.43Å; Y282-F332 AromaticContact CD1-CD2 3.68Å; Y282-F332 HydrophobicContact CD1-CD2 3.68Å; Y282-F332 HydrophobicContact CE1-CB 4.24Å; Y282-F332 HydrophobicContact CE1-CD2 4.22Å; Y282-F332 HydrophobicContact CG-CD2 4.09Å; F328-F332 WeakPolarHBondContact O-CB 3.19Å; F328-F332 PolarHBondContact O-N 3.16Å; C329-F332 PolarHBondContact O-N 2.93Å; K330-F332 PolarHBondContact O-N 2.85Å; F332-N334 VanDerWaalsContact C-N 3.35Å; F332-N334 PolarHBondContact O-N 3.18Å; F332-L335 HydrophobicContact CD2-CD1 3.98Å; F332-L335 HydrophobicContact CE2-CD1 4.38Å; F332-L335 WeakPolarHBondContact O-CB 3.47Å; F332-L335 VanDerWaalsContact O-CG 3.3Å; F332-L335 WeakPolarHBondContact O-CG 3.34Å; F332-L335 PolarHBondContact O-N 3.11Å; F332-L335 VanDerWaalsContact O-N 3.09Å
333	W	80.3	Confident	72.3	Confident	61 Å²	61	46.6 Å²	46.6	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-34.1	179.6	-71.5	-20.1	0	0	0	113	C329 L335 A336 I499 A500 V624	C329-W333 WeakPolarHBondContact O-CB 3.32Å; C329-W333 PolarHBondContact O-N 3.36Å; W333-L335 PolarHBondContact O-N 3.09Å; W333-L335 VanDerWaalsContact O-N 3.11Å; W333-A336 VanDerWaalsContact O-CB 3.31Å; W333-A336 WeakPolarHBondContact O-CB 3.36Å; W333-A336 PolarHBondContact O-N 3.47Å; W333-I499 HydrophobicContact CE3-CD1 4.2Å; W333-I499 HydrophobicContact CE3-CG1 4.23Å; W333-I499 HydrophobicContact CZ3-CD1 3.9Å; W333-I499 HydrophobicContact CZ3-CG1 3.97Å; W333-A500 HydrophobicContact CB-CB 4.02Å; W333-A500 HydrophobicContact CE3-CB 3.92Å; W333-V624 HydrophobicContact CH2-CG1 3.45Å; W333-V624 VanDerWaalsContact CH2-CG1 3.45Å; W333-V624 HydrophobicContact CZ2-CG1 3.49Å; W333-V624 VanDerWaalsContact CZ2-CG1 3.49Å; W333-V624 HydrophobicContact CZ3-CG1 4.48Å
334	N	77.5	Confident	71.4	Confident	54 Å²	54	44.2 Å²	44.2	29%	0.289	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-66.9	-7.7	173.1	-71.8	-20.5	0	0	0	113.3	K330 F332 A336 E337 L501	K330-N334 VanDerWaalsContact O-CB 3.23Å; K330-N334 WeakPolarHBondContact O-CB 3.11Å; K330-N334 PolarHBondContact O-N 2.86Å; K330-N334 PolarHBondContact O-ND2 3.28Å; F332-N334 VanDerWaalsContact C-N 3.35Å; F332-N334 PolarHBondContact O-N 3.18Å; N334-A336 PolarHBondContact O-N 3.18Å; N334-E337 WeakPolarHBondContact O-CB 3.45Å; N334-E337 PolarHBondContact O-N 3.3Å; N334-L501 PolarHBondContact OD1-N 3.06Å
335	L	72.8	Confident	70.9	Confident	29 Å²	29	44.2 Å²	44.2	15%	0.152	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.3	-25	168.3	-63.2	175.3	0	0	0	112.1	F278 Y282 F332 W333 E337 L338	F278-L335 HydrophobicContact CE1-CD1 3.63Å; F278-L335 HydrophobicContact CZ-CD1 4.23Å; Y282-L335 HydrophobicContact CD2-CD1 4.3Å; Y282-L335 HydrophobicContact CE2-CD1 4.26Å; F332-L335 HydrophobicContact CD2-CD1 3.98Å; F332-L335 HydrophobicContact CE2-CD1 4.38Å; F332-L335 WeakPolarHBondContact O-CB 3.47Å; F332-L335 VanDerWaalsContact O-CG 3.3Å; F332-L335 WeakPolarHBondContact O-CG 3.34Å; F332-L335 PolarHBondContact O-N 3.11Å; F332-L335 VanDerWaalsContact O-N 3.09Å; W333-L335 PolarHBondContact O-N 3.09Å; W333-L335 VanDerWaalsContact O-N 3.11Å; L335-E337 PolarHBondContact O-N 3.48Å; L335-L338 HydrophobicContact CB-CD1 4.38Å; L335-L338 HydrophobicContact CD2-CD1 3.8Å; L335-L338 HydrophobicContact CD2-CG 4.44Å; L335-L338 WeakPolarHBondContact O-CB 3.44Å; L335-L338 WeakPolarHBondContact O-CG 3.39Å; L335-L338 PolarHBondContact O-N 2.99Å
336	A	68.6	Low	70.5	Confident	49 Å²	49	43.9 Å²	43.9	41%	0.405	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.3	-26	172.2	0	0	0	0	0	112.5	W333 N334 L338	W333-A336 VanDerWaalsContact O-CB 3.31Å; W333-A336 WeakPolarHBondContact O-CB 3.36Å; W333-A336 PolarHBondContact O-N 3.47Å; N334-A336 PolarHBondContact O-N 3.18Å; A336-L338 VanDerWaalsContact C-N 3.33Å
337	E	65	Low	69.9	Low	43 Å²	43	49.7 Å²	49.7	20%	0.201	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-82.7	-8.2	179.4	-66	-62.7	96.7	0	0	113.6	N334 L335 R339 S342 T502 S505	N334-E337 WeakPolarHBondContact O-CB 3.45Å; N334-E337 PolarHBondContact O-N 3.3Å; L335-E337 PolarHBondContact O-N 3.48Å; E337-R339 PolarHBondContact O-N 3.14Å; E337-S342 PolarHBondContact O-OG 3.36Å; E337-T502 PolarHBondContact OE2-OG1 3.49Å; E337-S505 WeakPolarHBondContact OE1-CA 3.44Å; E337-S505 WeakPolarHBondContact OE1-CB 3.46Å; E337-S505 PolarHBondContact OE1-OG 2.95Å; E337-S505 PolarHBondContact OE2-OG 3.24Å
338	L	63.2	Low	69.5	Low	37 Å²	37	49.8 Å²	49.8	19%	0.194	27%	0.271	C	S	.	.	S	Bend	trans	-56.8	130.4	178	-71.5	177.1	0	0	0	109.6	I293 L335 A336 V340 V341 S342	I293-L338 HydrophobicContact CD1-CD2 3.66Å; I293-L338 HydrophobicContact CG1-CD2 4.26Å; I293-L338 HydrophobicContact CG2-CD1 3.75Å; I293-L338 HydrophobicContact CG2-CD2 4.17Å; L335-L338 HydrophobicContact CB-CD1 4.38Å; L335-L338 HydrophobicContact CD2-CD1 3.8Å; L335-L338 HydrophobicContact CD2-CG 4.44Å; L335-L338 WeakPolarHBondContact O-CB 3.44Å; L335-L338 WeakPolarHBondContact O-CG 3.39Å; L335-L338 PolarHBondContact O-N 2.99Å; A336-L338 VanDerWaalsContact C-N 3.33Å; L338-V340 PolarHBondContact O-N 2.84Å; L338-V341 HydrophobicContact CB-CG2 4.38Å; L338-V341 CarbonylContact O-C 3.07Å; L338-V341 WeakPolarHBondContact O-CA 3.36Å; L338-V341 WeakPolarHBondContact O-CB 3.34Å; L338-V341 PolarHBondContact O-N 3.32Å; L338-S342 PolarHBondContact O-N 3.48Å; L338-S342 PolarHBondContact O-OG 3.45Å
339	R	50.5	Low	69.6	Low	122 Å²	122	50 Å²	50	46%	0.46	27%	0.273	S	S	.	.	H	α-helix	trans	-47.2	-37.5	-177.5	-71	-171.7	-178	-179.3	-4.5	113.8	E337 V341 S342 E343 R465	E337-R339 PolarHBondContact O-N 3.14Å; R339-V341 VanDerWaalsContact C-N 3.29Å; R339-V341 PolarHBondContact O-N 2.79Å; R339-S342 WeakPolarHBondContact CA-OG 3.38Å; R339-E343 WeakPolarHBondContact O-CA 3.11Å; R339-E343 WeakPolarHBondContact O-CB 3.35Å; R339-E343 VanDerWaalsContact O-CG 3.31Å; R339-E343 WeakPolarHBondContact O-CG 3.44Å; R339-E343 PolarHBondContact O-N 3.02Å; R339-R465 PolarHBondContact NH2-O 3.23Å
340	V	54.9	Low	69.6	Low	74 Å²	74	50.9 Å²	50.9	45%	0.448	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-35.6	178.1	-177.9	0	0	0	0	112.2	L338 A344 W667 F671	L338-V340 PolarHBondContact O-N 2.84Å; V340-A344 WeakPolarHBondContact O-CB 3.15Å; V340-W667 HydrophobicContact CG1-CB 3.53Å; V340-W667 HydrophobicContact CG1-CD2 3.96Å; V340-W667 HydrophobicContact CG1-CG 3.55Å; V340-F671 HydrophobicContact CG1-CE2 4.34Å
341	V	58.4	Low	69.8	Low	44 Å²	44	52.5 Å²	52.5	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-85.5	-43	178.7	-178.1	0	0	0	0	111	L338 R339 P345 W667	L338-V341 HydrophobicContact CB-CG2 4.38Å; L338-V341 CarbonylContact O-C 3.07Å; L338-V341 WeakPolarHBondContact O-CA 3.36Å; L338-V341 WeakPolarHBondContact O-CB 3.34Å; L338-V341 PolarHBondContact O-N 3.32Å; R339-V341 VanDerWaalsContact C-N 3.29Å; R339-V341 PolarHBondContact O-N 2.79Å; V341-P345 WeakPolarHBondContact O-CD 3.46Å; V341-W667 HydrophobicContact CG2-CH2 4.35Å
342	S	60.8	Low	70.3	Confident	29 Å²	29	52.2 Å²	52.2	20%	0.203	29%	0.288	C	S	.	.	H	α-helix	trans	-76.4	-25.7	-177.5	58.1	0	0	0	0	113.7	E337 L338 R339	E337-S342 PolarHBondContact O-OG 3.36Å; L338-S342 PolarHBondContact O-N 3.48Å; L338-S342 PolarHBondContact O-OG 3.45Å; R339-S342 WeakPolarHBondContact CA-OG 3.38Å
343	E	60.5	Low	70.9	Confident	87 Å²	87	51.9 Å²	51.9	41%	0.407	29%	0.29	S	S	.	.	H	α-helix	trans	-94.6	-24.5	177.4	-61.7	178.6	-172.4	0	0	114.2	R339 P345 N346	R339-E343 WeakPolarHBondContact O-CA 3.11Å; R339-E343 WeakPolarHBondContact O-CB 3.35Å; R339-E343 VanDerWaalsContact O-CG 3.31Å; R339-E343 WeakPolarHBondContact O-CG 3.44Å; R339-E343 PolarHBondContact O-N 3.02Å; E343-P345 VanDerWaalsContact C-CD 3.43Å; E343-P345 VanDerWaalsContact C-N 3.28Å; E343-N346 WeakPolarHBondContact CA-ND2 3.44Å; E343-N346 VanDerWaalsContact O-CB 3.25Å; E343-N346 WeakPolarHBondContact O-CB 3.24Å; E343-N346 PolarHBondContact O-N 2.94Å; E343-N346 PolarHBondContact O-ND2 3.44Å
344	A	59.1	Low	71.5	Confident	30 Å²	30	49.1 Å²	49.1	25%	0.248	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-53.1	-38.3	179.9	0	0	0	0	0	113.7	V340 N346 F671	V340-A344 WeakPolarHBondContact O-CB 3.15Å; A344-N346 VanDerWaalsContact C-N 3.26Å; A344-N346 PolarHBondContact O-N 3.44Å; A344-F671 HydrophobicContact CB-CD1 4.28Å; A344-F671 HydrophobicContact CB-CE1 4.05Å; A344-F671 HydrophobicContact CB-CZ 4.24Å
345	P	61	Low	72.3	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.104	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-66.9	-17.3	176.2	-25.3	36.7	0	0	0	115.6	V341 E343 V347 I348 L349 W675 L843	V341-P345 WeakPolarHBondContact O-CD 3.46Å; E343-P345 VanDerWaalsContact C-CD 3.43Å; E343-P345 VanDerWaalsContact C-N 3.28Å; P345-V347 PolarHBondContact O-N 3.47Å; P345-I348 PolarHBondContact O-N 3.09Å; P345-L349 HydrophobicContact CB-CD1 3.51Å; P345-L349 HydrophobicContact CB-CG 3.79Å; P345-L349 WeakPolarHBondContact O-CB 3.31Å; P345-L349 VanDerWaalsContact O-CG 3.31Å; P345-L349 WeakPolarHBondContact O-CG 3.27Å; P345-L349 PolarHBondContact O-N 3.18Å; P345-W675 HydrophobicContact CB-CH2 3.91Å; P345-W675 HydrophobicContact CG-CH2 4.08Å; P345-W675 HydrophobicContact CG-CZ2 4.31Å; P345-L843 HydrophobicContact CB-CD1 3.96Å; P345-L843 HydrophobicContact CG-CD1 4.45Å
346	N	70.2	Confident	73.3	Confident	41 Å²	41	48.3 Å²	48.3	22%	0.219	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.3	-18.8	-175.1	-73.1	-40.4	0	0	0	114	E343 A344 R511	E343-N346 WeakPolarHBondContact CA-ND2 3.44Å; E343-N346 VanDerWaalsContact O-CB 3.25Å; E343-N346 WeakPolarHBondContact O-CB 3.24Å; E343-N346 PolarHBondContact O-N 2.94Å; E343-N346 PolarHBondContact O-ND2 3.44Å; A344-N346 VanDerWaalsContact C-N 3.26Å; A344-N346 PolarHBondContact O-N 3.44Å; N346-R511 VanDerWaalsContact OD1-CZ 3.23Å; N346-R511 PolarHBondContact OD1-NH1 3.33Å; N346-R511 PolarHBondContact OD1-NH2 3.25Å
347	V	70.5	Confident	74.4	Confident	138 Å²	138	48.3 Å²	48.3	84%	0.836	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-76.2	-29.2	176.3	-175.9	0	0	0	0	112.1	P345	P345-V347 PolarHBondContact O-N 3.47Å
348	I	75.4	Confident	75.8	Confident	89 Å²	89	47.1 Å²	47.1	46%	0.456	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-28.9	-177.6	-60.4	-166.9	0	0	0	111.8	P345 W675	P345-I348 PolarHBondContact O-N 3.09Å; I348-W675 HydrophobicContact CB-CZ3 3.87Å; I348-W675 HydrophobicContact CD1-CD2 4.42Å; I348-W675 HydrophobicContact CD1-CE3 3.25Å; I348-W675 HydrophobicContact CD1-CH2 4.36Å; I348-W675 HydrophobicContact CD1-CZ3 3.23Å; I348-W675 HydrophobicContact CG1-CE3 3.96Å; I348-W675 HydrophobicContact CG1-CZ3 3.53Å
349	L	83.9	Confident	77.2	Confident	15 Å²	15	50.1 Å²	50.1	8%	0.079	28%	0.28	C	S	.	.	S	Bend	trans	-68.1	147	-179.8	-72	178.9	0	0	0	112	P345 S351 N508 I512 L843	P345-L349 HydrophobicContact CB-CD1 3.51Å; P345-L349 HydrophobicContact CB-CG 3.79Å; P345-L349 WeakPolarHBondContact O-CB 3.31Å; P345-L349 VanDerWaalsContact O-CG 3.31Å; P345-L349 WeakPolarHBondContact O-CG 3.27Å; P345-L349 PolarHBondContact O-N 3.18Å; L349-S351 PolarHBondContact O-N 3.49Å; L349-N508 VanDerWaalsContact CD2-O 3.25Å; L349-N508 WeakPolarHBondContact CD2-O 3.12Å; L349-I512 HydrophobicContact CD2-CG1 4.43Å; L349-L843 HydrophobicContact CD2-CD1 3.89Å; L349-L843 HydrophobicContact CD2-CD2 4.06Å; L349-L843 HydrophobicContact CG-CD1 4.33Å
350	P	83.1	Confident	79.3	Confident	22 Å²	22	44.4 Å²	44.4	14%	0.143	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-55.3	137	173.8	-24.7	34.3	0	0	0	111.8	M352 I512 E515	P350-M352 HydrophobicContact CB-CE 3.78Å; P350-M352 WeakPolarHBondContact O-CE 3.49Å; P350-I512 HydrophobicContact CG-CG1 4.49Å; P350-E515 HydrophobicContact CB-CB 4.28Å; P350-E515 WeakPolarHBondContact CB-OE2 3.33Å; P350-E515 HydrophobicContact CG-CB 4.41Å; P350-E515 WeakPolarHBondContact CG-OE2 3.38Å
351	S	87.7	Confident	80.8	Confident	65 Å²	65	44.8 Å²	44.8	46%	0.455	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-71.8	131.5	175.9	61.1	0	0	0	0	110.7	L349 R402	L349-S351 PolarHBondContact O-N 3.49Å; S351-R402 WeakPolarHBondContact O-CD 3.23Å; S351-R402 PolarHBondContact O-NH1 2.94Å; S351-R402 PolarHBondContact OG-NH1 3.08Å
352	M	92	Very high	82.2	Confident	26 Å²	26	45.1 Å²	45.1	13%	0.128	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-97.7	130.1	178	-64.8	-64.4	108.1	0	0	109.9	P350 V354 A355 R402 R511 A514	P350-M352 HydrophobicContact CB-CE 3.78Å; P350-M352 WeakPolarHBondContact O-CE 3.49Å; M352-V354 WeakPolarHBondContact CB-O 3.35Å; M352-V354 PolarHBondContact O-N 3.16Å; M352-A355 HydrophobicContact CB-CB 4.03Å; M352-R402 HydrophobicContact CE-CB 4.44Å; M352-R511 HydrophobicContact CE-CB 4.04Å; M352-R511 HydrophobicContact CE-CG 4.41Å; M352-R511 WeakPolarHBondContact CE-O 3.49Å; M352-R511 HydrophobicContact CG-CG 3.9Å; M352-R511 HydrophobicContact SD-CB 4.49Å; M352-R511 HydrophobicContact SD-CG 4.34Å; M352-A514 HydrophobicContact CE-CB 4.42Å; M352-A514 HydrophobicContact SD-CB 3.78Å
353	A	92.9	Very high	83.6	Confident	19 Å²	19	48 Å²	48	16%	0.157	27%	0.267	C	S	.	.	S	Bend	trans	-67.2	-27.4	170.2	0	0	0	0	0	111.7	C401 R402 L404	A353-C401 PolarHBondContact N-O 3.3Å; A353-C401 VanDerWaalsContact N-O 3.13Å; A353-R402 VanDerWaalsContact CB-O 3.24Å; A353-R402 WeakPolarHBondContact CB-O 3.19Å; A353-R402 PolarHBondContact N-O 3.46Å; A353-L404 HydrophobicContact CB-CB 4.36Å
354	V	93.8	Very high	85.2	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.3	173.4	-179.8	0	0	0	0	108.6	M352 H356 I399 L400 C401 L404 L408 T411	M352-V354 WeakPolarHBondContact CB-O 3.35Å; M352-V354 PolarHBondContact O-N 3.16Å; V354-H356 HydrophobicContact CG1-CB 4.17Å; V354-I399 HydrophobicContact CG1-CG1 4.31Å; V354-I399 HydrophobicContact CG1-CG2 3.82Å; V354-L400 CarbonylContact O-C 3.49Å; V354-L400 WeakPolarHBondContact O-CA 3.4Å; V354-C401 HydrophobicContact CB-CB 4.08Å; V354-C401 PolarHBondContact N-O 3.16Å; V354-C401 PolarHBondContact O-N 3.37Å; V354-L404 HydrophobicContact CG2-CD1 3.87Å; V354-L408 HydrophobicContact CG2-CB 4.19Å; V354-L408 HydrophobicContact CG2-CD1 4.15Å; V354-T411 HydrophobicContact CG1-CG2 3.75Å
355	A	93.3	Very high	86.9	Confident	26 Å²	26	45.6 Å²	45.6	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	84	166.3	0	0	0	0	0	107.3	M352 I399 L400	M352-A355 HydrophobicContact CB-CB 4.03Å; A355-I399 VanDerWaalsContact CA-O 3.31Å; A355-I399 WeakPolarHBondContact CA-O 3.43Å; A355-L400 HydrophobicContact CB-CD2 3.78Å
356	H	93.8	Very high	88.5	Confident	39 Å²	39	51 Å²	51	18%	0.181	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.3	-165.4	-167.3	90.5	0	0	0	110.8	V354 R398 I399 W410 T411	V354-H356 HydrophobicContact CG1-CB 4.17Å; H356-R398 WeakPolarHBondContact O-CA 3.42Å; H356-I399 HydrophobicContact CB-CG2 3.94Å; H356-I399 PolarHBondContact N-O 2.92Å; H356-I399 WeakPolarHBondContact O-CG2 3.45Å; H356-I399 PolarHBondContact O-N 3.3Å; H356-W410 AromaticContact CD2-CZ3 3.75Å; H356-W410 AromaticContact NE2-CZ3 3.98Å; H356-T411 HydrophobicContact CB-CG2 4.2Å; H356-T411 PolarHBondContact ND1-O 2.76Å
357	S	93.2	Very high	89.7	Confident	49 Å²	49	49.1 Å²	49.1	34%	0.343	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.9	174.2	-69.5	0	0	0	0	109.7	M397 R398	S357-M397 CarbonylContact C-O 3.54Å; S357-M397 VanDerWaalsContact CA-O 3.27Å; S357-M397 WeakPolarHBondContact CA-O 3.29Å; S357-R398 PolarHBondContact OG-NH1 3.4Å
358	F	93.8	Very high	90.8	Very high	19 Å²	19	43.4 Å²	43.4	8%	0.083	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	170	-179	63.2	-79	0	0	0	110	L360 M397 I399 W410 F420 W547	F358-L360 HydrophobicContact CD2-CD2 4.18Å; F358-L360 HydrophobicContact CE2-CD2 3.62Å; F358-M397 HydrophobicContact CD1-CB 4.04Å; F358-M397 HydrophobicContact CD2-CB 4.05Å; F358-M397 HydrophobicContact CE1-CB 3.6Å; F358-M397 HydrophobicContact CE2-CB 3.63Å; F358-M397 HydrophobicContact CE2-CG 4.02Å; F358-M397 HydrophobicContact CG-CB 4.25Å; F358-M397 HydrophobicContact CZ-CB 3.39Å; F358-M397 HydrophobicContact CZ-CG 4.08Å; F358-M397 PolarHBondContact N-O 3.35Å; F358-M397 PolarHBondContact O-N 3.15Å; F358-M397 VanDerWaalsContact O-O 3.09Å; F358-I399 HydrophobicContact CD1-CG2 4.43Å; F358-I399 HydrophobicContact CE1-CB 4.34Å; F358-I399 HydrophobicContact CE1-CG2 4.12Å; F358-W410 HydrophobicContact CB-CZ3 4.5Å; F358-W410 AromaticContact CD1-CH2 3.88Å; F358-W410 HydrophobicContact CD1-CH2 3.88Å; F358-W410 HydrophobicContact CE1-CH2 4.13Å; F358-W410 HydrophobicContact CG-CH2 4.11Å; F358-W410 HydrophobicContact CG-CZ3 4.49Å; F358-F420 HydrophobicContact CB-CZ 4.43Å; F358-F420 HydrophobicContact CD2-CD1 4.34Å; F358-F420 AromaticContact CD2-CE1 3.38Å; F358-F420 HydrophobicContact CD2-CE1 3.38Å; F358-F420 HydrophobicContact CD2-CE2 4.31Å; F358-F420 AromaticContact CD2-CZ 3.38Å; F358-F420 HydrophobicContact CD2-CZ 3.38Å; F358-F420 AromaticContact CE2-CE1 3.45Å; F358-F420 HydrophobicContact CE2-CE1 3.45Å; F358-F420 VanDerWaalsContact CE2-CE1 3.45Å; F358-F420 AromaticContact CE2-CZ 3.74Å; F358-F420 HydrophobicContact CE2-CZ 3.74Å; F358-F420 HydrophobicContact CG-CE1 4.43Å; F358-F420 HydrophobicContact CG-CZ 4.01Å; F358-W547 AromaticContact CE2-CH2 3.82Å; F358-W547 HydrophobicContact CE2-CH2 3.82Å; F358-W547 HydrophobicContact CE2-CZ2 4.46Å; F358-W547 HydrophobicContact CE2-CZ3 4.01Å; F358-W547 HydrophobicContact CZ-CH2 4.11Å; F358-W547 HydrophobicContact CZ-CZ3 4.03Å
359	K	93.2	Very high	91.7	Very high	99 Å²	99	40.6 Å²	40.6	43%	0.43	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	178.5	-67.1	179.6	-178.5	172.9	0	110.1	P394 L395 D464	K359-P394 HydrophobicContact CB-CB 4.07Å; K359-P394 HydrophobicContact CD-CB 4.24Å; K359-L395 CarbonylContact C-O 3.54Å; K359-L395 VanDerWaalsContact CA-O 3.27Å; K359-L395 WeakPolarHBondContact CA-O 3.45Å; K359-D464 IonicContact NZ-OD2 3.37Å
360	L	93	Very high	91.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.4	168.6	-56.2	-176.2	0	0	0	109.1	F358 P394 L395 M397 F420 Y543 A544 W547	F358-L360 HydrophobicContact CD2-CD2 4.18Å; F358-L360 HydrophobicContact CE2-CD2 3.62Å; L360-P394 VanDerWaalsContact O-CA 3.23Å; L360-P394 WeakPolarHBondContact O-CA 3.33Å; L360-L395 HydrophobicContact CB-CB 4.28Å; L360-L395 HydrophobicContact CD1-CD2 4.36Å; L360-L395 PolarHBondContact N-O 3.03Å; L360-L395 PolarHBondContact O-N 3.09Å; L360-L395 VanDerWaalsContact O-N 3.08Å; L360-M397 HydrophobicContact CD1-CG 3.81Å; L360-M397 HydrophobicContact CD1-SD 4.07Å; L360-M397 HydrophobicContact CD2-CG 4.06Å; L360-M397 HydrophobicContact CG-CG 3.57Å; L360-M397 HydrophobicContact CG-SD 4.47Å; L360-F420 HydrophobicContact CD2-CD1 4.38Å; L360-F420 HydrophobicContact CD2-CE1 4.31Å; L360-Y543 HydrophobicContact CB-CE1 4.16Å; L360-Y543 HydrophobicContact CD1-CD1 4.21Å; L360-Y543 HydrophobicContact CD1-CE1 4.06Å; L360-A544 HydrophobicContact CD1-CB 4.5Å; L360-W547 HydrophobicContact CD1-CB 3.97Å; L360-W547 HydrophobicContact CD1-CD2 4.05Å; L360-W547 HydrophobicContact CD1-CE3 4.3Å; L360-W547 HydrophobicContact CD1-CG 3.87Å; L360-W547 HydrophobicContact CD2-CD2 3.44Å; L360-W547 VanDerWaalsContact CD2-CD2 3.44Å; L360-W547 VanDerWaalsContact CD2-CE2 3.45Å; L360-W547 HydrophobicContact CD2-CE3 3.77Å; L360-W547 HydrophobicContact CD2-CG 3.92Å; L360-W547 HydrophobicContact CD2-CH2 4.15Å; L360-W547 HydrophobicContact CD2-CZ2 3.85Å; L360-W547 HydrophobicContact CD2-CZ3 4.09Å; L360-W547 HydrophobicContact CG-CD2 4.41Å
361	Q	87.7	Confident	91.7	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.383	24%	0.235	S	C	.	.			trans	-73.6	153.2	175.1	-61.1	-61.8	-19.8	0	0	110.8	K363 Y543	Q361-K363 PolarHBondContact O-N 3.29Å; Q361-K363 VanDerWaalsContact O-N 3.09Å; Q361-Y543 PolarHBondContact O-OH 3.25Å
362	T	87.8	Confident	90.9	Very high	52 Å²	52	48.1 Å²	48.1	32%	0.319	26%	0.255	S	S	.	.	S	Bend	trans	-78.2	88.8	-179.6	52.4	0	0	0	0	110.5	A393	T362-A393 WeakPolarHBondContact CG2-O 3.47Å
363	K	89.4	Confident	89.4	Confident	90 Å²	90	52.5 Å²	52.5	39%	0.391	28%	0.278	S	S	.	.			trans	-140.9	144.5	-178.5	-71.9	-175.7	169.5	171.6	0	110.8	Q361 E421 Y543	Q361-K363 PolarHBondContact O-N 3.29Å; Q361-K363 VanDerWaalsContact O-N 3.09Å; K363-E421 PolarHBondContact NZ-O 3Å; K363-Y543 PolarHBondContact N-OH 3.01Å; K363-Y543 VanDerWaalsContact O-CE2 3.29Å; K363-Y543 WeakPolarHBondContact O-CE2 3.45Å; K363-Y543 PolarHBondContact O-OH 3.2Å
364	S	94.3	Very high	87.5	Confident	51 Å²	51	59.1 Å²	59.1	36%	0.357	31%	0.31	S	S	.	.			trans	-67.9	138.3	175.1	-44.1	0	0	0	0	110.8	I383 E384	S364-I383 CarbonylContact C-O 3.47Å; S364-I383 VanDerWaalsContact CA-O 3.3Å; S364-I383 WeakPolarHBondContact CA-O 3.17Å; S364-E384 VanDerWaalsContact CB-OE1 3.24Å; S364-E384 WeakPolarHBondContact CB-OE1 3.48Å; S364-E384 PolarHBondContact OG-OE1 3.2Å; S364-E384 PolarHBondContact OG-OE2 2.95Å
365	L	95	Very high	85.8	Confident	15 Å²	15	67.8 Å²	67.8	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.4	179.8	-52.5	174.9	0	0	0	109.6	V367 V382 I383 Y543 C546 W547 L550	L365-V367 HydrophobicContact CB-CG2 4.13Å; L365-V382 CarbonylContact O-C 3.58Å; L365-V382 WeakPolarHBondContact O-CA 3.24Å; L365-I383 HydrophobicContact CB-CB 4.29Å; L365-I383 PolarHBondContact N-O 3.44Å; L365-I383 PolarHBondContact O-N 3.03Å; L365-Y543 HydrophobicContact CD1-CD2 3.82Å; L365-Y543 HydrophobicContact CD1-CE2 3.61Å; L365-Y543 HydrophobicContact CD1-CG 4.39Å; L365-Y543 HydrophobicContact CD2-CE2 4.36Å; L365-Y543 HydrophobicContact CG-CD2 4.28Å; L365-Y543 HydrophobicContact CG-CE2 3.65Å; L365-C546 HydrophobicContact CD1-CB 3.91Å; L365-W547 HydrophobicContact CD1-CB 3.95Å; L365-L550 HydrophobicContact CB-CD1 4.04Å; L365-L550 HydrophobicContact CD2-CD1 4.48Å
366	K	94.8	Very high	84.2	Confident	129 Å²	129	74.1 Å²	74.1	56%	0.561	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.1	168.1	-66	-175.3	178.2	-176.7	0	109	F380 V382 N424	K366-F380 HydrophobicContact CB-CD1 4.39Å; K366-V382 HydrophobicContact CG-CG2 4.38Å; K366-N424 PolarHBondContact N-ND2 3.33Å; K366-N424 PolarHBondContact O-ND2 3.22Å
367	V	95.4	Very high	83	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.006	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.8	-175.5	-172.4	0	0	0	0	109.2	L365 F380 I381 I383 C546 L550 L587	L365-V367 HydrophobicContact CB-CG2 4.13Å; V367-F380 CarbonylContact O-C 3.59Å; V367-F380 VanDerWaalsContact O-CA 3.3Å; V367-F380 WeakPolarHBondContact O-CA 3.13Å; V367-I381 HydrophobicContact CB-CG2 4.06Å; V367-I381 PolarHBondContact N-O 3.31Å; V367-I381 PolarHBondContact O-N 2.94Å; V367-I383 HydrophobicContact CB-CG1 4.48Å; V367-I383 HydrophobicContact CG2-CG1 3.8Å; V367-C546 HydrophobicContact CG2-CB 3.88Å; V367-L550 HydrophobicContact CG2-CD1 4.19Å; V367-L587 HydrophobicContact CB-CD2 4.39Å; V367-L587 HydrophobicContact CG1-CD2 3.82Å
368	P	94	Very high	82.3	Confident	19 Å²	19	84.5 Å²	84.5	12%	0.123	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.9	-179.3	27.9	-34.9	0	0	0	111.9	F380 L588	P368-F380 HydrophobicContact CB-CD1 4.18Å; P368-F380 HydrophobicContact CB-CE1 3.95Å; P368-L588 HydrophobicContact CB-CB 4.19Å; P368-L588 HydrophobicContact CB-CD2 4.02Å; P368-L588 HydrophobicContact CG-CB 4.25Å; P368-L588 HydrophobicContact CG-CD2 4.2Å; P368-L588 WeakPolarHBondContact O-CB 3.48Å; P368-L588 PolarHBondContact O-N 2.99Å
369	L	93.2	Very high	82.1	Confident	29 Å²	29	88.5 Å²	88.5	15%	0.152	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-98.8	151.5	178.2	-63	-175.2	0	0	0	112.3	T371 E379 I381 D585 R586 L587	L369-T371 HydrophobicContact CB-CG2 4.49Å; L369-T371 PolarHBondContact O-N 3.39Å; L369-E379 HydrophobicContact CB-CB 4.24Å; L369-E379 HydrophobicContact CD1-CB 4.21Å; L369-E379 PolarHBondContact N-O 2.94Å; L369-I381 HydrophobicContact CD1-CB 4.24Å; L369-I381 HydrophobicContact CD2-CB 3.8Å; L369-I381 HydrophobicContact CD2-CG2 3.55Å; L369-I381 HydrophobicContact CG-CB 4.21Å; L369-I381 HydrophobicContact CG-CG2 4.34Å; L369-D585 WeakPolarHBondContact CD2-O 3.4Å; L369-R586 CarbonylContact C-O 3.52Å; L369-R586 WeakPolarHBondContact CA-O 3.46Å; L369-L587 HydrophobicContact CD2-CD2 4.24Å
370	D	88.4	Confident	82.1	Confident	60 Å²	60	87.9 Å²	87.9	32%	0.321	44%	0.438	S	S	.	.			trans	-79.8	93.2	169.2	-164.6	5.6	0	0	0	108.1	R586 K590	D370-R586 WeakPolarHBondContact CB-O 3.49Å; D370-R586 PolarHBondContact N-O 2.69Å; D370-K590 IonicContact OD2-NZ 2.86Å; D370-K590 PolarHBondContact OD2-NZ 3.29Å
371	T	79.8	Confident	82.1	Confident	36 Å²	36	89.9 Å²	89.9	22%	0.221	45%	0.448	C	S	.	.			trans	-100.6	124.3	173.4	50.2	0	0	0	0	107.8	L369 I373 E379	L369-T371 HydrophobicContact CB-CG2 4.49Å; L369-T371 PolarHBondContact O-N 3.39Å; T371-I373 PolarHBondContact O-N 3.05Å; T371-E379 HydrophobicContact CG2-CB 3.73Å; T371-E379 HydrophobicContact CG2-CG 3.75Å; T371-E379 WeakPolarHBondContact CG2-OE2 3.49Å
372	N	70	Confident	82.5	Confident	165 Å²	165	89.7 Å²	89.7	88%	0.882	45%	0.452	S	S	*	.	S	Bend	trans	-68.9	19.9	172.8	-68.5	-23.9	0	0	0	112.5
373	I	60.4	Low	82.8	Confident	118 Å²	118	87.6 Å²	87.6	61%	0.605	44%	0.439	S	S	*	.	S	Bend	trans	-105.7	143.4	-174.1	-57.5	176.2	0	0	0	107.7	T371	T371-I373 PolarHBondContact O-N 3.05Å
374	L	53.4	Low	83.1	Confident	157 Å²	157	88.3 Å²	88.3	82%	0.822	44%	0.443	S	S	*	.			trans	-43.4	144.1	-178.9	-67.5	159.3	0	0	0	112.6	D376	L374-D376 PolarHBondContact O-N 3.26Å
375	E	58.2	Low	83.1	Confident	185 Å²	185	86.6 Å²	86.6	86%	0.864	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-11.4	-161.3	-65	-177.5	144.5	0	0	118.8
376	D	59.3	Low	83.1	Confident	160 Å²	160	86.4 Å²	86.4	86%	0.856	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.3	-165.9	-73.6	-31	0	0	0	115.7	L374	L374-D376 PolarHBondContact O-N 3.26Å
377	E	69.8	Low	83	Confident	157 Å²	157	86.8 Å²	86.8	73%	0.734	43%	0.433	S	S	*	.			trans	-124.4	85.7	173.8	-69	-165.3	170.4	0	0	112.3	E379	E377-E379 PolarHBondContact O-N 3.37Å; E377-E379 VanDerWaalsContact O-N 3.11Å
378	K	76.6	Confident	82.9	Confident	149 Å²	149	88 Å²	88	65%	0.648	44%	0.441	S	S	*	.			trans	-67.1	109.6	170.8	-70.6	-177.8	-179	175.5	0	110.2	F380	K378-F380 HydrophobicContact CB-CE2 3.9Å; K378-F380 HydrophobicContact CB-CZ 4.18Å; K378-F380 WeakPolarHBondContact O-CD2 3.3Å; K378-F380 WeakPolarHBondContact O-CE2 3.44Å
379	E	89.9	Confident	82.8	Confident	102 Å²	102	92.4 Å²	92.4	48%	0.477	46%	0.46	S	S	.	.			trans	-73.5	151.2	167.7	-68.7	-174.9	176.4	0	0	111.4	L369 T371 E377	L369-E379 HydrophobicContact CB-CB 4.24Å; L369-E379 HydrophobicContact CD1-CB 4.21Å; L369-E379 PolarHBondContact N-O 2.94Å; T371-E379 HydrophobicContact CG2-CB 3.73Å; T371-E379 HydrophobicContact CG2-CG 3.75Å; T371-E379 WeakPolarHBondContact CG2-OE2 3.49Å; E377-E379 PolarHBondContact O-N 3.37Å; E377-E379 VanDerWaalsContact O-N 3.11Å
380	F	93.3	Very high	82.6	Confident	86 Å²	86	96.1 Å²	96.1	38%	0.377	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.4	178.8	-65.7	-95.1	0	0	0	110.4	K366 V367 P368 K378 I426	K366-F380 HydrophobicContact CB-CD1 4.39Å; V367-F380 CarbonylContact O-C 3.59Å; V367-F380 VanDerWaalsContact O-CA 3.3Å; V367-F380 WeakPolarHBondContact O-CA 3.13Å; P368-F380 HydrophobicContact CB-CD1 4.18Å; P368-F380 HydrophobicContact CB-CE1 3.95Å; K378-F380 HydrophobicContact CB-CE2 3.9Å; K378-F380 HydrophobicContact CB-CZ 4.18Å; K378-F380 WeakPolarHBondContact O-CD2 3.3Å; K378-F380 WeakPolarHBondContact O-CE2 3.44Å; F380-I426 HydrophobicContact CE1-CD1 3.89Å; F380-I426 HydrophobicContact CZ-CD1 3.69Å
381	I	93.6	Very high	82.8	Confident	45 Å²	45	94.8 Å²	94.8	23%	0.231	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141	165.5	-168.3	171.1	0	0	0	109.9	V367 L369 I383 D585 L587	V367-I381 HydrophobicContact CB-CG2 4.06Å; V367-I381 PolarHBondContact N-O 3.31Å; V367-I381 PolarHBondContact O-N 2.94Å; L369-I381 HydrophobicContact CD1-CB 4.24Å; L369-I381 HydrophobicContact CD2-CB 3.8Å; L369-I381 HydrophobicContact CD2-CG2 3.55Å; L369-I381 HydrophobicContact CG-CB 4.21Å; L369-I381 HydrophobicContact CG-CG2 4.34Å; I381-I383 HydrophobicContact CB-CD1 4.45Å; I381-I383 HydrophobicContact CD1-CD1 3.98Å; I381-I383 HydrophobicContact CG1-CD1 3.97Å; I381-I383 HydrophobicContact CG2-CD1 3.74Å; I381-I383 HydrophobicContact CG2-CG1 4.28Å; I381-D585 HydrophobicContact CD1-CB 4.03Å; I381-L587 HydrophobicContact CG2-CD2 3.96Å
382	V	95.9	Very high	83.4	Confident	77 Å²	77	96.7 Å²	96.7	47%	0.467	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.3	171.9	-176.1	0	0	0	0	108.6	L365 K366 E384	L365-V382 CarbonylContact O-C 3.58Å; L365-V382 WeakPolarHBondContact O-CA 3.24Å; K366-V382 HydrophobicContact CG-CG2 4.38Å; V382-E384 VanDerWaalsContact CG1-OE1 3.31Å; V382-E384 WeakPolarHBondContact CG1-OE1 3.46Å
383	I	95.1	Very high	84.5	Confident	8 Å²	8	90.5 Å²	90.5	4%	0.041	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	107.6	174.7	-52.8	-52.1	0	0	0	108.4	S364 L365 V367 I381 Y542 Y543	S364-I383 CarbonylContact C-O 3.47Å; S364-I383 VanDerWaalsContact CA-O 3.3Å; S364-I383 WeakPolarHBondContact CA-O 3.17Å; L365-I383 HydrophobicContact CB-CB 4.29Å; L365-I383 PolarHBondContact N-O 3.44Å; L365-I383 PolarHBondContact O-N 3.03Å; V367-I383 HydrophobicContact CB-CG1 4.48Å; V367-I383 HydrophobicContact CG2-CG1 3.8Å; I381-I383 HydrophobicContact CB-CD1 4.45Å; I381-I383 HydrophobicContact CD1-CD1 3.98Å; I381-I383 HydrophobicContact CG1-CD1 3.97Å; I381-I383 HydrophobicContact CG2-CD1 3.74Å; I381-I383 HydrophobicContact CG2-CG1 4.28Å; I383-Y542 HydrophobicContact CD1-CE1 3.87Å; I383-Y542 HydrophobicContact CG1-CE1 4.36Å; I383-Y542 HydrophobicContact CG2-CD1 4.32Å; I383-Y542 HydrophobicContact CG2-CE1 4.18Å; I383-Y543 HydrophobicContact CG2-CD2 4.21Å
384	E	93.9	Very high	86.1	Confident	105 Å²	105	88.1 Å²	88.1	49%	0.491	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-68.8	148.5	174.8	-68.2	-59.5	121.8	0	0	111.6	S364 V382	S364-E384 VanDerWaalsContact CB-OE1 3.24Å; S364-E384 WeakPolarHBondContact CB-OE1 3.48Å; S364-E384 PolarHBondContact OG-OE1 3.2Å; S364-E384 PolarHBondContact OG-OE2 2.95Å; V382-E384 VanDerWaalsContact CG1-OE1 3.31Å; V382-E384 WeakPolarHBondContact CG1-OE1 3.46Å
385	P	94.2	Very high	88.1	Confident	15 Å²	15	80.9 Å²	80.9	10%	0.097	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-59.5	145.2	173.6	25.2	-33.9	0	0	0	111.3	K387 T392 Y543	P385-K387 PolarHBondContact O-N 3.39Å; P385-T392 HydrophobicContact CB-CG2 3.92Å; P385-T392 HydrophobicContact CG-CG2 3.63Å; P385-Y543 HydrophobicContact CB-CE2 4.29Å
386	P	94.9	Very high	90	Very high	11 Å²	11	72.5 Å²	72.5	7%	0.071	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-54.8	131.8	177.3	-25.3	34.4	0	0	0	111.4	T392 E539 E540 Y543	P386-T392 WeakPolarHBondContact O-CA 3.17Å; P386-E539 HydrophobicContact CB-CB 3.8Å; P386-E539 HydrophobicContact CG-CB 4.12Å; P386-E540 HydrophobicContact CB-CG 3.72Å; P386-E540 HydrophobicContact CG-CB 4.33Å; P386-E540 HydrophobicContact CG-CG 3.68Å; P386-Y543 HydrophobicContact CG-CG 4.16Å
387	K	93.7	Very high	91.7	Very high	138 Å²	138	64.9 Å²	64.9	60%	0.6	34%	0.335	S	S	*	.			trans	-136	-7.3	-172.8	68.3	-178	178.4	-175.7	0	114.8	P385 G391 T392 E539	P385-K387 PolarHBondContact O-N 3.39Å; K387-G391 WeakPolarHBondContact O-CA 3.23Å; K387-G391 PolarHBondContact O-N 2.89Å; K387-T392 HydrophobicContact CB-CG2 4.03Å; K387-E539 PolarHBondContact N-OE2 3.39Å
388	S	92.8	Very high	93	Very high	27 Å²	27	58.2 Å²	58.2	19%	0.189	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	140.1	-177.2	-74.3	0	0	0	0	111.8	F390 R536 E539	S388-F390 VanDerWaalsContact C-N 3.27Å; S388-F390 PolarHBondContact O-N 3.46Å; S388-R536 PolarHBondContact O-NH1 3.49Å; S388-E539 WeakPolarHBondContact CB-OE2 3.38Å; S388-E539 PolarHBondContact N-OE2 3Å; S388-E539 VanDerWaalsContact OG-CD 3.26Å; S388-E539 PolarHBondContact OG-OE1 2.96Å; S388-E539 PolarHBondContact OG-OE2 3.1Å
389	H	92.3	Very high	94	Very high	110 Å²	110	51.1 Å²	51.1	51%	0.509	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	-40.8	178.1	-52.4	-59.6	0	0	0	118	P533 Y534	H389-P533 PolarHBondContact CD2-O 3.27Å; H389-P533 VanDerWaalsContact CD2-O 3.25Å; H389-P533 PolarHBondContact NE2-O 2.91Å; H389-P533 VanDerWaalsContact NE2-O 3.1Å; H389-Y534 PolarHBondContact NE2-O 3.14Å
390	F	89.4	Confident	94.3	Very high	108 Å²	108	46.3 Å²	46.3	47%	0.474	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.1	23.8	-173.5	54.1	-91	0	0	0	114.6	S388 A532 R536	S388-F390 VanDerWaalsContact C-N 3.27Å; S388-F390 PolarHBondContact O-N 3.46Å; F390-A532 HydrophobicContact CE1-CB 3.73Å; F390-A532 HydrophobicContact CZ-CB 4.11Å; F390-R536 HydrophobicContact CE1-CG 4.33Å; F390-R536 VanDerWaalsContact CE2-CZ 3.41Å; F390-R536 VanDerWaalsContact CE2-NH2 3.32Å; F390-R536 HydrophobicContact CZ-CG 4.32Å; F390-R536 VanDerWaalsContact CZ-NH1 3.29Å
391	G	92.3	Very high	94.5	Very high	31 Å²	31	42.3 Å²	42.3	32%	0.32	23%	0.233	S	C	.	.			trans	76	-171.9	178.5	0	0	0	0	0	113.3	K387 R536	K387-G391 WeakPolarHBondContact O-CA 3.23Å; K387-G391 PolarHBondContact O-N 2.89Å; G391-R536 PolarHBondContact O-NH1 2.98Å
392	T	93	Very high	94.5	Very high	76 Å²	76	43 Å²	43	47%	0.466	23%	0.232	S	C	.	.			trans	-80.2	131.5	-173.6	60.5	0	0	0	0	111.4	P385 P386 K387	P385-T392 HydrophobicContact CB-CG2 3.92Å; P385-T392 HydrophobicContact CG-CG2 3.63Å; P386-T392 WeakPolarHBondContact O-CA 3.17Å; K387-T392 HydrophobicContact CB-CG2 4.03Å
393	A	93.1	Very high	94.4	Very high	36 Å²	36	43.2 Å²	43.2	30%	0.298	23%	0.228	S	C	.	.			trans	-133.7	151.9	174.6	0	0	0	0	0	110.6	T362 L395	T362-A393 WeakPolarHBondContact CG2-O 3.47Å; A393-L395 PolarHBondContact O-N 2.95Å
394	P	94.2	Very high	94.4	Very high	68 Å²	68	45 Å²	45	44%	0.442	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-58.9	134.2	174.5	-23.8	33.9	0	0	0	111.8	K359 L360	K359-P394 HydrophobicContact CB-CB 4.07Å; K359-P394 HydrophobicContact CD-CB 4.24Å; L360-P394 VanDerWaalsContact O-CA 3.23Å; L360-P394 WeakPolarHBondContact O-CA 3.33Å
395	L	95.6	Very high	94.4	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.7	-176.2	177.6	58.5	0	0	0	111.1	K359 L360 A393 M397 V524 E540 Y543 A544	K359-L395 CarbonylContact C-O 3.54Å; K359-L395 VanDerWaalsContact CA-O 3.27Å; K359-L395 WeakPolarHBondContact CA-O 3.45Å; L360-L395 HydrophobicContact CB-CB 4.28Å; L360-L395 HydrophobicContact CD1-CD2 4.36Å; L360-L395 PolarHBondContact N-O 3.03Å; L360-L395 PolarHBondContact O-N 3.09Å; L360-L395 VanDerWaalsContact O-N 3.08Å; A393-L395 PolarHBondContact O-N 2.95Å; L395-M397 HydrophobicContact CG-SD 4.5Å; L395-V524 HydrophobicContact CD1-CG2 3.9Å; L395-V524 HydrophobicContact CD2-CG2 4.04Å; L395-V524 HydrophobicContact CG-CG2 4.14Å; L395-E540 HydrophobicContact CD1-CB 3.75Å; L395-E540 HydrophobicContact CD1-CG 3.89Å; L395-E540 HydrophobicContact CD2-CB 3.91Å; L395-E540 HydrophobicContact CD2-CG 4.36Å; L395-E540 WeakPolarHBondContact CD2-O 3.44Å; L395-E540 HydrophobicContact CG-CB 4.48Å; L395-Y543 HydrophobicContact CD2-CD1 4.16Å; L395-A544 HydrophobicContact CD2-CB 3.93Å
396	G	96.3	Very high	94.1	Very high	8 Å²	8	42 Å²	42	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.9	177	0	0	0	0	0	112.1	D525	G396-D525 PolarHBondContact O-N 3.13Å
397	M	96.8	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.4	176	-63.5	-64.4	-60.4	0	0	109.5	S357 F358 L360 L395 F491 I522 A523 V524 A544 I548	S357-M397 CarbonylContact C-O 3.54Å; S357-M397 VanDerWaalsContact CA-O 3.27Å; S357-M397 WeakPolarHBondContact CA-O 3.29Å; F358-M397 HydrophobicContact CD1-CB 4.04Å; F358-M397 HydrophobicContact CD2-CB 4.05Å; F358-M397 HydrophobicContact CE1-CB 3.6Å; F358-M397 HydrophobicContact CE2-CB 3.63Å; F358-M397 HydrophobicContact CE2-CG 4.02Å; F358-M397 HydrophobicContact CG-CB 4.25Å; F358-M397 HydrophobicContact CZ-CB 3.39Å; F358-M397 HydrophobicContact CZ-CG 4.08Å; F358-M397 PolarHBondContact N-O 3.35Å; F358-M397 PolarHBondContact O-N 3.15Å; F358-M397 VanDerWaalsContact O-O 3.09Å; L360-M397 HydrophobicContact CD1-CG 3.81Å; L360-M397 HydrophobicContact CD1-SD 4.07Å; L360-M397 HydrophobicContact CD2-CG 4.06Å; L360-M397 HydrophobicContact CG-CG 3.57Å; L360-M397 HydrophobicContact CG-SD 4.47Å; L395-M397 HydrophobicContact CG-SD 4.5Å; M397-F491 HydrophobicContact CE-CE2 4.34Å; M397-I522 HydrophobicContact CE-CG2 3.29Å; M397-A523 CarbonylContact C-O 3.6Å; M397-A523 WeakPolarHBondContact CA-O 3.13Å; M397-V524 HydrophobicContact CE-CB 4.44Å; M397-V524 HydrophobicContact SD-CB 3.9Å; M397-V524 HydrophobicContact SD-CG2 3.91Å; M397-A544 HydrophobicContact CE-CB 4.01Å; M397-A544 HydrophobicContact SD-CB 3.64Å; M397-I548 HydrophobicContact CE-CD1 4.27Å
398	R	96.1	Very high	93.9	Very high	17 Å²	17	35.5 Å²	35.5	6%	0.064	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.6	175.2	-174.4	175.3	-179.2	79.6	-4.8	109.7	H356 S357 S503 D507 I522 A523	H356-R398 WeakPolarHBondContact O-CA 3.42Å; S357-R398 PolarHBondContact OG-NH1 3.4Å; R398-S503 VanDerWaalsContact CB-OG 3.27Å; R398-S503 WeakPolarHBondContact CB-OG 3.29Å; R398-S503 VanDerWaalsContact CD-OG 3.26Å; R398-S503 WeakPolarHBondContact CD-OG 3.48Å; R398-D507 IonicContact CZ-OD1 2.71Å; R398-D507 IonicContact CZ-OD2 2.71Å; R398-D507 IonicContact NE-OD1 3.9Å; R398-D507 PolarHBondContact NE-OD1 3.36Å; R398-D507 IonicContact NH2-OD1 2.74Å; R398-D507 PolarHBondContact NH2-OD1 3.39Å; R398-D507 IonicContact NH2-OD2 2.85Å; R398-D507 PolarHBondContact NH2-OD2 2.83Å; R398-I522 CarbonylContact O-C 3.2Å; R398-I522 WeakPolarHBondContact O-CA 3.43Å; R398-A523 HydrophobicContact CB-CB 4.48Å; R398-A523 PolarHBondContact N-O 3.44Å; R398-A523 PolarHBondContact O-N 3.16Å
399	I	97	Very high	93.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.4	173.6	-179.8	163.7	0	0	0	110.4	V354 A355 H356 F358 L408 T411 P520 I521 I522 L555	V354-I399 HydrophobicContact CG1-CG1 4.31Å; V354-I399 HydrophobicContact CG1-CG2 3.82Å; A355-I399 VanDerWaalsContact CA-O 3.31Å; A355-I399 WeakPolarHBondContact CA-O 3.43Å; H356-I399 HydrophobicContact CB-CG2 3.94Å; H356-I399 PolarHBondContact N-O 2.92Å; H356-I399 WeakPolarHBondContact O-CG2 3.45Å; H356-I399 PolarHBondContact O-N 3.3Å; F358-I399 HydrophobicContact CD1-CG2 4.43Å; F358-I399 HydrophobicContact CE1-CB 4.34Å; F358-I399 HydrophobicContact CE1-CG2 4.12Å; I399-L408 HydrophobicContact CD1-CD1 3.95Å; I399-L408 HydrophobicContact CD1-CD2 3.33Å; I399-L408 HydrophobicContact CD1-CG 4.29Å; I399-T411 HydrophobicContact CG2-CG2 4.4Å; I399-P520 HydrophobicContact CD1-CB 4.45Å; I399-I521 WeakPolarHBondContact CA-O 3.32Å; I399-I522 HydrophobicContact CB-CD1 3.95Å; I399-I522 HydrophobicContact CD1-CD1 3.43Å; I399-I522 VanDerWaalsContact CD1-CD1 3.43Å; I399-I522 HydrophobicContact CG1-CD1 3.58Å; I399-L555 HydrophobicContact CD1-CD2 4.22Å
400	L	96.7	Very high	93.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	170.7	-59.1	175.3	0	0	0	108.8	V354 A355 L510 R511 A514 I521	V354-L400 CarbonylContact O-C 3.49Å; V354-L400 WeakPolarHBondContact O-CA 3.4Å; A355-L400 HydrophobicContact CB-CD2 3.78Å; L400-L510 HydrophobicContact CD1-CB 3.73Å; L400-L510 HydrophobicContact CD1-CD1 4.33Å; L400-R511 HydrophobicContact CD1-CG 4.45Å; L400-A514 HydrophobicContact CB-CB 4.45Å; L400-I521 HydrophobicContact CB-CB 4.34Å; L400-I521 PolarHBondContact N-O 2.62Å; L400-I521 PolarHBondContact O-N 3.05Å
401	C	96.8	Very high	93.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	129.1	173.3	-167.4	0	0	0	0	110.8	A353 V354 H403 L408	A353-C401 PolarHBondContact N-O 3.3Å; A353-C401 VanDerWaalsContact N-O 3.13Å; V354-C401 HydrophobicContact CB-CB 4.08Å; V354-C401 PolarHBondContact N-O 3.16Å; V354-C401 PolarHBondContact O-N 3.37Å; C401-H403 VanDerWaalsContact C-N 3.3Å; C401-H403 PolarHBondContact O-N 2.94Å; C401-H403 PolarHBondContact SG-O 3.22Å; C401-L408 HydrophobicContact CB-CD1 3.91Å
402	R	94.9	Very high	93.4	Very high	59 Å²	59	37.2 Å²	37.2	22%	0.223	19%	0.188	C	C	.	.	S	Bend	trans	-61.7	-37.7	-179.9	-176.5	63	177.5	103.5	4.8	112.4	S351 M352 A353 E515	S351-R402 WeakPolarHBondContact O-CD 3.23Å; S351-R402 PolarHBondContact O-NH1 2.94Å; S351-R402 PolarHBondContact OG-NH1 3.08Å; M352-R402 HydrophobicContact CE-CB 4.44Å; A353-R402 VanDerWaalsContact CB-O 3.24Å; A353-R402 WeakPolarHBondContact CB-O 3.19Å; A353-R402 PolarHBondContact N-O 3.46Å; R402-E515 HydrophobicContact CG-CB 4.39Å; R402-E515 HydrophobicContact CG-CG 4.41Å; R402-E515 IonicContact CZ-OE1 3.76Å; R402-E515 IonicContact NE-OE1 3.67Å; R402-E515 PolarHBondContact NE-OE1 2.81Å; R402-E515 IonicContact NH2-OE1 2.65Å
403	H	93.8	Very high	92.9	Very high	82 Å²	82	37.1 Å²	37.1	38%	0.38	19%	0.187	S	C	.	.	S	Bend	trans	-115.7	147.1	-178.9	-55.7	-68.5	0	0	0	111.6	C401 R405 N518	C401-H403 VanDerWaalsContact C-N 3.3Å; C401-H403 PolarHBondContact O-N 2.94Å; C401-H403 PolarHBondContact SG-O 3.22Å; H403-R405 PolarHBondContact O-N 3.21Å; H403-N518 PolarHBondContact CD2-OD1 3.13Å
404	L	93.7	Very high	91.8	Very high	46 Å²	46	42.6 Å²	42.6	24%	0.241	22%	0.217	C	C	.	.			trans	-74	118.7	168	-177.2	74.2	0	0	0	109.1	A353 V354 L408 N484	A353-L404 HydrophobicContact CB-CB 4.36Å; V354-L404 HydrophobicContact CG2-CD1 3.87Å; L404-L408 HydrophobicContact CD1-CB 4.15Å; L404-N484 PolarHBondContact O-ND2 3.34Å; L404-N484 VanDerWaalsContact O-ND2 3.1Å
405	R	94.3	Very high	90.6	Very high	12 Å²	12	46.7 Å²	46.7	5%	0.045	23%	0.231	C	C	.	.			trans	-102	156.3	179.1	-57.9	-174.8	177.7	-86	3.2	110.5	H403 G407 L408 N484 N518 G556	H403-R405 PolarHBondContact O-N 3.21Å; R405-G407 PolarHBondContact O-N 3.28Å; R405-G407 VanDerWaalsContact O-N 3.08Å; R405-L408 HydrophobicContact CB-CD1 4.25Å; R405-L408 HydrophobicContact CB-CG 4.43Å; R405-L408 PolarHBondContact O-N 3.14Å; R405-N484 WeakPolarHBondContact CB-O 3.4Å; R405-N484 VanDerWaalsContact CG-O 3.28Å; R405-N484 WeakPolarHBondContact CG-O 3.44Å; R405-N484 PolarHBondContact NH1-O 3.44Å; R405-N484 PolarHBondContact NH1-OD1 2.87Å; R405-N518 PolarHBondContact NH2-O 3.17Å; R405-N518 PolarHBondContact NH2-OD1 3.35Å; R405-G556 WeakPolarHBondContact CD-O 3.48Å
406	S	88.9	Confident	89.2	Confident	46 Å²	46	50.5 Å²	50.5	32%	0.322	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.5	-27.9	-172.6	51.2	0	0	0	0	114.2
407	G	90.1	Very high	87.8	Confident	12 Å²	12	51.1 Å²	51.1	12%	0.124	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-81.7	-12.3	174.2	0	0	0	0	0	116.3	R405 W410 E553 N554	R405-G407 PolarHBondContact O-N 3.28Å; R405-G407 VanDerWaalsContact O-N 3.08Å; G407-W410 PolarHBondContact O-NE1 3.25Å; G407-W410 VanDerWaalsContact O-NE1 3.15Å; G407-E553 VanDerWaalsContact CA-O 3.27Å; G407-E553 WeakPolarHBondContact CA-O 3.25Å; G407-N554 CarbonylContact O-C 3.56Å
408	L	93.5	Very high	86.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-101.4	9.3	-173	-64.3	179.5	0	0	0	113.7	V354 I399 C401 L404 R405 W410 T411 L555	V354-L408 HydrophobicContact CG2-CB 4.19Å; V354-L408 HydrophobicContact CG2-CD1 4.15Å; I399-L408 HydrophobicContact CD1-CD1 3.95Å; I399-L408 HydrophobicContact CD1-CD2 3.33Å; I399-L408 HydrophobicContact CD1-CG 4.29Å; C401-L408 HydrophobicContact CB-CD1 3.91Å; L404-L408 HydrophobicContact CD1-CB 4.15Å; R405-L408 HydrophobicContact CB-CD1 4.25Å; R405-L408 HydrophobicContact CB-CG 4.43Å; R405-L408 PolarHBondContact O-N 3.14Å; L408-W410 HydrophobicContact CD2-CZ2 4.5Å; L408-W410 PolarHBondContact O-N 3.3Å; L408-T411 HydrophobicContact CB-CG2 4.45Å; L408-T411 HydrophobicContact CD2-CG2 4.48Å; L408-T411 WeakPolarHBondContact O-CG2 3.3Å; L408-T411 PolarHBondContact O-N 3.06Å; L408-T411 PolarHBondContact O-OG1 2.77Å; L408-L555 VanDerWaalsContact CD2-C 3.46Å
409	R	89.1	Confident	85.1	Confident	129 Å²	129	60.7 Å²	60.7	49%	0.487	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.6	-29.2	-178.2	-68.5	-178.9	171.9	-163.9	-4.6	112.8	T411 R412 E480	R409-T411 PolarHBondContact O-N 2.82Å; R409-R412 WeakPolarHBondContact O-CB 3.2Å; R409-R412 PolarHBondContact O-N 3.23Å; R409-R412 VanDerWaalsContact O-N 3.1Å; R409-E480 IonicContact NH2-OE1 3.09Å
410	W	91.3	Very high	83.7	Confident	22 Å²	22	61.7 Å²	61.7	8%	0.083	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.6	-21.4	176.2	64.7	-97.1	0	0	0	113.3	H356 F358 G407 L408 R412 T413 P417 F419 F420 N554	H356-W410 AromaticContact CD2-CZ3 3.75Å; H356-W410 AromaticContact NE2-CZ3 3.98Å; F358-W410 HydrophobicContact CB-CZ3 4.5Å; F358-W410 AromaticContact CD1-CH2 3.88Å; F358-W410 HydrophobicContact CD1-CH2 3.88Å; F358-W410 HydrophobicContact CE1-CH2 4.13Å; F358-W410 HydrophobicContact CG-CH2 4.11Å; F358-W410 HydrophobicContact CG-CZ3 4.49Å; G407-W410 PolarHBondContact O-NE1 3.25Å; G407-W410 VanDerWaalsContact O-NE1 3.15Å; L408-W410 HydrophobicContact CD2-CZ2 4.5Å; L408-W410 PolarHBondContact O-N 3.3Å; W410-R412 PolarHBondContact O-N 2.76Å; W410-R412 VanDerWaalsContact O-N 3.13Å; W410-T413 PolarHBondContact O-N 3.29Å; W410-T413 VanDerWaalsContact O-N 3.11Å; W410-T413 PolarHBondContact O-OG1 3.14Å; W410-P417 HydrophobicContact CB-CB 4.29Å; W410-P417 HydrophobicContact CB-CG 3.96Å; W410-P417 HydrophobicContact CD2-CG 4.03Å; W410-P417 HydrophobicContact CE3-CG 3.99Å; W410-P417 HydrophobicContact CG-CG 4.02Å; W410-F419 AromaticContact CD1-CZ 3.76Å; W410-F419 HydrophobicContact CD2-CZ 4.18Å; W410-F419 HydrophobicContact CG-CE1 4.35Å; W410-F419 HydrophobicContact CG-CZ 4.01Å; W410-F419 AromaticContact NE1-CZ 3.81Å; W410-F420 HydrophobicContact CE3-CE2 4.18Å; W410-F420 HydrophobicContact CE3-CZ 4.41Å; W410-F420 HydrophobicContact CH2-CE2 4.28Å; W410-F420 AromaticContact CH2-CZ 3.75Å; W410-F420 HydrophobicContact CH2-CZ 3.75Å; W410-F420 HydrophobicContact CZ2-CZ 4.16Å; W410-F420 AromaticContact CZ3-CE2 3.94Å; W410-F420 HydrophobicContact CZ3-CE2 3.94Å; W410-F420 AromaticContact CZ3-CZ 3.89Å; W410-F420 HydrophobicContact CZ3-CZ 3.89Å; W410-N554 PolarHBondContact NE1-O 3.48Å
411	T	89.9	Confident	82	Confident	17 Å²	17	66.2 Å²	66.2	10%	0.104	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-70.4	-9.3	176.6	72.3	0	0	0	0	112.5	V354 H356 I399 L408 R409	V354-T411 HydrophobicContact CG1-CG2 3.75Å; H356-T411 HydrophobicContact CB-CG2 4.2Å; H356-T411 PolarHBondContact ND1-O 2.76Å; I399-T411 HydrophobicContact CG2-CG2 4.4Å; L408-T411 HydrophobicContact CB-CG2 4.45Å; L408-T411 HydrophobicContact CD2-CG2 4.48Å; L408-T411 WeakPolarHBondContact O-CG2 3.3Å; L408-T411 PolarHBondContact O-N 3.06Å; L408-T411 PolarHBondContact O-OG1 2.77Å; R409-T411 PolarHBondContact O-N 2.82Å
412	R	85.7	Confident	80	Confident	143 Å²	143	69.7 Å²	69.7	54%	0.54	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-100.5	-6.3	174.6	-64.1	-173	170.5	-174.3	-2.5	113.3	R409 W410	R409-R412 WeakPolarHBondContact O-CB 3.2Å; R409-R412 PolarHBondContact O-N 3.23Å; R409-R412 VanDerWaalsContact O-N 3.1Å; W410-R412 PolarHBondContact O-N 2.76Å; W410-R412 VanDerWaalsContact O-N 3.13Å
413	T	83.3	Confident	77.5	Confident	74 Å²	74	71.1 Å²	71.1	45%	0.454	37%	0.369	S	S	.	.	S	Bend	trans	-90.9	146.1	177.3	56.6	0	0	0	0	110	W410 E415	W410-T413 PolarHBondContact O-N 3.29Å; W410-T413 VanDerWaalsContact O-N 3.11Å; W410-T413 PolarHBondContact O-OG1 3.14Å; T413-E415 VanDerWaalsContact C-N 3.28Å; T413-E415 PolarHBondContact OG1-O 3Å
414	T	70.4	Confident	75.4	Confident	151 Å²	151	70.3 Å²	70.3	93%	0.926	37%	0.368	S	S	*	.	S	Bend	trans	-74.5	-22.5	173	46	0	0	0	0	112.2
415	E	68.3	Low	72.6	Confident	155 Å²	155	73.7 Å²	73.7	72%	0.724	39%	0.393	S	S	*	.	S	Bend	trans	-82.5	133.2	176.7	-65.7	-177.3	-177.5	0	0	111.5	T413	T413-E415 VanDerWaalsContact C-N 3.28Å; T413-E415 PolarHBondContact OG1-O 3Å
416	S	65.6	Low	69.6	Low	85 Å²	85	78.8 Å²	78.8	59%	0.594	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-67.3	124.3	168.5	52.7	0	0	0	0	109.4
417	P	66.8	Low	66.6	Low	21 Å²	21	83.8 Å²	83.8	14%	0.136	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-68	140.1	-176.2	25.1	-33.7	0	0	0	112.3	W410 F419 F420	W410-P417 HydrophobicContact CB-CB 4.29Å; W410-P417 HydrophobicContact CB-CG 3.96Å; W410-P417 HydrophobicContact CD2-CG 4.03Å; W410-P417 HydrophobicContact CE3-CG 3.99Å; W410-P417 HydrophobicContact CG-CG 4.02Å; P417-F419 HydrophobicContact CB-CD1 3.63Å; P417-F419 HydrophobicContact CB-CE1 3.24Å; P417-F419 HydrophobicContact CB-CE2 4.46Å; P417-F419 HydrophobicContact CB-CG 4.39Å; P417-F419 HydrophobicContact CB-CZ 3.7Å; P417-F419 HydrophobicContact CG-CD1 4.17Å; P417-F419 HydrophobicContact CG-CE1 3.46Å; P417-F419 VanDerWaalsContact CG-CE1 3.46Å; P417-F419 HydrophobicContact CG-CE2 3.97Å; P417-F419 HydrophobicContact CG-CZ 3.31Å; P417-F419 PolarHBondContact O-N 2.67Å; P417-F419 VanDerWaalsContact O-N 3.07Å; P417-F420 HydrophobicContact CB-CD2 4.49Å; P417-F420 VanDerWaalsContact CD-CE2 3.46Å; P417-F420 HydrophobicContact CG-CD2 3.44Å; P417-F420 VanDerWaalsContact CG-CD2 3.44Å; P417-F420 HydrophobicContact CG-CE2 3.27Å; P417-F420 HydrophobicContact CG-CZ 4.28Å; P417-F420 WeakPolarHBondContact O-CB 3.33Å; P417-F420 WeakPolarHBondContact O-CD2 3.4Å; P417-F420 PolarHBondContact O-N 3.17Å
418	K	67.4	Low	63.6	Low	168 Å²	168	92.3 Å²	92.3	73%	0.73	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-61.3	-16.7	-177.5	-65.1	-175.5	179.4	-179.2	0	114.7	F420 E421 S422	K418-F420 PolarHBondContact O-N 2.91Å; K418-E421 CarbonylContact O-C 3.49Å; K418-E421 VanDerWaalsContact O-CA 3.27Å; K418-E421 WeakPolarHBondContact O-CA 3.48Å; K418-E421 VanDerWaalsContact O-CB 3.27Å; K418-E421 WeakPolarHBondContact O-CB 3.45Å; K418-E421 PolarHBondContact O-N 2.9Å; K418-S422 PolarHBondContact O-N 3.4Å
419	F	69.3	Low	60.2	Low	50 Å²	50	96.7 Å²	96.7	22%	0.219	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-70.9	-17.5	174.9	63.1	-106.5	0	0	0	112.6	W410 P417 E421 N554	W410-F419 AromaticContact CD1-CZ 3.76Å; W410-F419 HydrophobicContact CD2-CZ 4.18Å; W410-F419 HydrophobicContact CG-CE1 4.35Å; W410-F419 HydrophobicContact CG-CZ 4.01Å; W410-F419 AromaticContact NE1-CZ 3.81Å; P417-F419 HydrophobicContact CB-CD1 3.63Å; P417-F419 HydrophobicContact CB-CE1 3.24Å; P417-F419 HydrophobicContact CB-CE2 4.46Å; P417-F419 HydrophobicContact CB-CG 4.39Å; P417-F419 HydrophobicContact CB-CZ 3.7Å; P417-F419 HydrophobicContact CG-CD1 4.17Å; P417-F419 HydrophobicContact CG-CE1 3.46Å; P417-F419 VanDerWaalsContact CG-CE1 3.46Å; P417-F419 HydrophobicContact CG-CE2 3.97Å; P417-F419 HydrophobicContact CG-CZ 3.31Å; P417-F419 PolarHBondContact O-N 2.67Å; P417-F419 VanDerWaalsContact O-N 3.07Å; F419-E421 PolarHBondContact O-N 3.05Å; F419-N554 HydrophobicContact CD2-CB 4.43Å; F419-N554 HydrophobicContact CE1-CB 4.3Å; F419-N554 HydrophobicContact CE2-CB 3.98Å; F419-N554 HydrophobicContact CZ-CB 3.92Å
420	F	69.1	Low	57.1	Low	21 Å²	21	97 Å²	97	9%	0.092	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-66.3	-15	163.2	-66.7	-56.1	0	0	0	112.2	F358 L360 W410 P417 K418 W547	F358-F420 HydrophobicContact CB-CZ 4.43Å; F358-F420 HydrophobicContact CD2-CD1 4.34Å; F358-F420 AromaticContact CD2-CE1 3.38Å; F358-F420 HydrophobicContact CD2-CE1 3.38Å; F358-F420 HydrophobicContact CD2-CE2 4.31Å; F358-F420 AromaticContact CD2-CZ 3.38Å; F358-F420 HydrophobicContact CD2-CZ 3.38Å; F358-F420 AromaticContact CE2-CE1 3.45Å; F358-F420 HydrophobicContact CE2-CE1 3.45Å; F358-F420 VanDerWaalsContact CE2-CE1 3.45Å; F358-F420 AromaticContact CE2-CZ 3.74Å; F358-F420 HydrophobicContact CE2-CZ 3.74Å; F358-F420 HydrophobicContact CG-CE1 4.43Å; F358-F420 HydrophobicContact CG-CZ 4.01Å; L360-F420 HydrophobicContact CD2-CD1 4.38Å; L360-F420 HydrophobicContact CD2-CE1 4.31Å; W410-F420 HydrophobicContact CE3-CE2 4.18Å; W410-F420 HydrophobicContact CE3-CZ 4.41Å; W410-F420 HydrophobicContact CH2-CE2 4.28Å; W410-F420 AromaticContact CH2-CZ 3.75Å; W410-F420 HydrophobicContact CH2-CZ 3.75Å; W410-F420 HydrophobicContact CZ2-CZ 4.16Å; W410-F420 AromaticContact CZ3-CE2 3.94Å; W410-F420 HydrophobicContact CZ3-CE2 3.94Å; W410-F420 AromaticContact CZ3-CZ 3.89Å; W410-F420 HydrophobicContact CZ3-CZ 3.89Å; P417-F420 HydrophobicContact CB-CD2 4.49Å; P417-F420 VanDerWaalsContact CD-CE2 3.46Å; P417-F420 HydrophobicContact CG-CD2 3.44Å; P417-F420 VanDerWaalsContact CG-CD2 3.44Å; P417-F420 HydrophobicContact CG-CE2 3.27Å; P417-F420 HydrophobicContact CG-CZ 4.28Å; P417-F420 WeakPolarHBondContact O-CB 3.33Å; P417-F420 WeakPolarHBondContact O-CD2 3.4Å; P417-F420 PolarHBondContact O-N 3.17Å; K418-F420 PolarHBondContact O-N 2.91Å; F420-W547 HydrophobicContact CD1-CH2 4.45Å; F420-W547 AromaticContact CD1-CZ2 3.7Å; F420-W547 HydrophobicContact CD1-CZ2 3.7Å; F420-W547 AromaticContact CE1-CH2 3.66Å; F420-W547 HydrophobicContact CE1-CH2 3.66Å; F420-W547 AromaticContact CE1-CZ2 3.35Å; F420-W547 HydrophobicContact CE1-CZ2 3.35Å; F420-W547 HydrophobicContact CZ-CZ2 4.49Å
421	E	60.9	Low	54	Low	97 Å²	97	104 Å²	104	45%	0.453	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.8	-21.6	-179.9	-53.7	177.2	175.2	0	0	113.9	K363 K418 F419	K363-E421 PolarHBondContact NZ-O 3Å; K418-E421 CarbonylContact O-C 3.49Å; K418-E421 VanDerWaalsContact O-CA 3.27Å; K418-E421 WeakPolarHBondContact O-CA 3.48Å; K418-E421 VanDerWaalsContact O-CB 3.27Å; K418-E421 WeakPolarHBondContact O-CB 3.45Å; K418-E421 PolarHBondContact O-N 2.9Å; F419-E421 PolarHBondContact O-N 3.05Å
422	S	53.1	Low	50.9	Low	73 Å²	73	110.9 Å²	110.9	51%	0.51	59%	0.586	S	S	.	*			trans	-96.4	123.7	-172.7	-160.2	0	0	0	0	112.1	K418 N424	K418-S422 PolarHBondContact O-N 3.4Å; S422-N424 PolarHBondContact O-N 2.92Å
423	P	43.3	Very low	47.9	Very low	90 Å²	90	109 Å²	109	58%	0.584	60%	0.595	S	S	*	*			trans	-80.2	114.8	173.9	30	-28.6	0	0	0	110.1	C425	P423-C425 PolarHBondContact O-N 3.44Å
424	N	49.1	Very low	45.2	Very low	65 Å²	65	111.2 Å²	111.2	35%	0.348	61%	0.613	S	S	.	*			trans	34.2	83.3	153.6	-62.6	-12.1	0	0	0	116.9	K366 S422 I426	K366-N424 PolarHBondContact N-ND2 3.33Å; K366-N424 PolarHBondContact O-ND2 3.22Å; S422-N424 PolarHBondContact O-N 2.92Å; N424-I426 PolarHBondContact O-N 2.96Å
425	C	34.7	Very low	42.9	Very low	116 Å²	116	115.1 Å²	115.1	78%	0.784	61%	0.611	S	S	*	*			trans	-87.4	94.4	158	-74.3	0	0	0	0	109.1	P423	P423-C425 PolarHBondContact O-N 3.44Å
426	I	31.5	Very low	40.9	Very low	119 Å²	119	114.8 Å²	114.8	61%	0.61	61%	0.614	S	S	*	*			trans	-73	123.1	158.9	-63.7	173.3	0	0	0	105.7	F380 N424 Q428	F380-I426 HydrophobicContact CE1-CD1 3.89Å; F380-I426 HydrophobicContact CZ-CD1 3.69Å; N424-I426 PolarHBondContact O-N 2.96Å; I426-Q428 PolarHBondContact O-N 3.46Å
427	N	26.6	Very low	38.9	Very low	152 Å²	152	115.3 Å²	115.3	81%	0.813	62%	0.618	S	S	*	*			trans	-53.1	97.6	172.9	-77.3	-29.9	0	0	0	110	S429	N427-S429 PolarHBondContact O-N 3.26Å; N427-S429 VanDerWaalsContact O-N 3.09Å
428	Q	26.2	Very low	37	Very low	190 Å²	190	122.1 Å²	122.1	89%	0.888	65%	0.651	S	S	*	*			trans	-76.5	82.7	155.3	-77.6	-175.6	-8.5	0	0	106.9	I426	I426-Q428 PolarHBondContact O-N 3.46Å
429	S	23.9	Very low	35.1	Very low	92 Å²	92	119.2 Å²	119.2	64%	0.643	65%	0.65	S	S	*	*			trans	-68.6	128.9	153.6	50.6	0	0	0	0	107.8	N427	N427-S429 PolarHBondContact O-N 3.26Å; N427-S429 VanDerWaalsContact O-N 3.09Å
430	N	23.8	Very low	32.8	Very low	135 Å²	135	121.4 Å²	121.4	72%	0.722	67%	0.671	S	S	*	*			trans	88.1	93.3	171.5	-50.5	-23.2	0	0	0	115.7
431	H	26.3	Very low	30.7	Very low	171 Å²	171	129.2 Å²	129.2	79%	0.792	71%	0.713	S	S	*	*				-175.1	122.1	96.5	-91	-64.9	0	0	0	111.6
432	H	24.9	Very low	28.9	Very low	160 Å²	160	129.5 Å²	129.5	74%	0.741	73%	0.726	S	S	*	*			trans	43.7	106.6	143.9	-73.3	-63.5	0	0	0	121.5
433	S	22.3	Very low	27.5	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	73%	0.734	S	S	*	*				40	112.6	119.9	61	0	0	0	0	119.4
434	S	26.6	Very low	26.7	Very low	121 Å²	121	137 Å²	137	85%	0.846	75%	0.748	S	S	*	*				-155.8	123.8	129	60.8	0	0	0	0	110.1
435	R	21	Very low	25.6	Very low	233 Å²	233	140.4 Å²	140.4	88%	0.879	77%	0.766	S	S	*	*			trans	-58.7	146	163.5	-75.3	161.1	167	166.7	-4.1	109.6
436	N	26.4	Very low	25	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	76%	0.758	S	S	*	*			trans	170.6	97	136.7	-84.4	-10.9	0	0	0	106.9
437	S	23.7	Very low	24.6	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	77%	0.77	S	S	*	*				62.1	110.4	92.8	66.2	0	0	0	0	113.5
438	I	26.9	Very low	24.5	Very low	164 Å²	164	145.9 Å²	145.9	84%	0.841	77%	0.77	S	S	*	*				-172.2	139	120.6	-84.9	147.7	0	0	0	108.2
439	P	26.9	Very low	24.4	Very low	107 Å²	107	145.6 Å²	145.6	70%	0.695	77%	0.766	S	S	*	*			trans	-103	173.3	-168.7	39.1	-32.5	0	0	0	115
440	S	21.7	Very low	24.5	Very low	96 Å²	96	146.5 Å²	146.5	67%	0.671	77%	0.77	S	S	*	*			trans	63.8	108.4	151.2	59.3	0	0	0	0	119.5
441	L	26.2	Very low	24.4	Very low	185 Å²	185	144.8 Å²	144.8	97%	0.969	77%	0.768	S	S	*	*			trans	-125.9	82.1	138	-139.7	85.1	0	0	0	108.8
442	S	21.6	Very low	24.2	Very low	103 Å²	103	143.3 Å²	143.3	72%	0.72	77%	0.766	S	S	*	*			trans	-93.2	109.4	160.4	55.3	0	0	0	0	108
443	S	24.3	Very low	24.1	Very low	98 Å²	98	142.8 Å²	142.8	69%	0.685	77%	0.769	S	S	*	*			trans	159.2	108	143.2	58.7	0	0	0	0	109.6
444	Y	26.5	Very low	24.2	Very low	223 Å²	223	143 Å²	143	88%	0.875	77%	0.771	S	S	*	*			trans	-155.7	102.2	133.9	-106	-77.7	0	0	0	108.3
445	N	25.6	Very low	24.1	Very low	137 Å²	137	142.6 Å²	142.6	73%	0.733	77%	0.768	S	S	*	*			trans	24.4	109.6	143.1	-72.6	-32.5	0	0	0	117.7
446	S	22.8	Very low	24.2	Very low	89 Å²	89	136.8 Å²	136.8	62%	0.622	76%	0.763	S	S	*	*				83.3	119.8	72.2	76.2	0	0	0	0	113.8
447	R	21.8	Very low	24.1	Very low	227 Å²	227	135.1 Å²	135.1	86%	0.857	76%	0.758	S	S	*	*			trans	45.9	104.3	150.6	-60.4	179.8	-150.7	161.6	7	116.5
448	F	24.5	Very low	24.2	Very low	185 Å²	185	136.4 Å²	136.4	81%	0.811	76%	0.761	S	S	*	*				-163.2	121.7	129.5	-97.6	-63	0	0	0	111.1
449	F	25.9	Very low	24	Very low	185 Å²	185	138 Å²	138	81%	0.811	76%	0.763	S	S	*	*			trans	81.5	140.4	160.8	-60.3	-72.8	0	0	0	121.6
450	P	24.9	Very low	24	Very low	110 Å²	110	137.5 Å²	137.5	71%	0.714	76%	0.762	S	S	*	*			trans	-106.6	166.5	-150.4	34.7	-19.3	0	0	0	113.6	N452	P450-N452 PolarHBondContact O-N 2.95Å
451	S	20.8	Very low	24.3	Very low	99 Å²	99	139 Å²	139	69%	0.692	76%	0.762	S	S	*	*			trans	-43.7	122.8	166	53.6	0	0	0	0	114.3
452	N	23.2	Very low	24.3	Very low	140 Å²	140	135 Å²	135	75%	0.749	75%	0.747	S	S	*	*				162.6	132.4	114.1	-87.6	-18.3	0	0	0	111.7	P450	P450-N452 PolarHBondContact O-N 2.95Å
453	N	22.7	Very low	24.5	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	75%	0.751	S	S	*	*			trans	43.3	101	147	-65.9	-12.2	0	0	0	119
454	S	24	Very low	24.7	Very low	109 Å²	109	137.1 Å²	137.1	76%	0.762	74%	0.743	S	S	*	*				-179.3	111.9	127.4	31.1	0	0	0	0	110.5	S456	S454-S456 PolarHBondContact O-N 3.42Å
455	S	24.2	Very low	24.7	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	73%	0.734	S	S	*	*			trans	27.4	81.9	142.7	51.1	0	0	0	0	117.1	V457	S455-V457 PolarHBondContact O-N 3.23Å
456	S	24.5	Very low	24.8	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	73%	0.727	S	S	*	*			trans	-77.6	93.9	156.7	47.8	0	0	0	0	108.5	S454 V458	S454-S456 PolarHBondContact O-N 3.42Å; S456-V458 PolarHBondContact O-N 2.88Å
457	V	24.2	Very low	25.2	Very low	112 Å²	112	140.8 Å²	140.8	68%	0.679	73%	0.733	S	S	*	*			trans	-64.4	100	167.7	176.8	0	0	0	0	107.5	S455 F459	S455-V457 PolarHBondContact O-N 3.23Å; V457-F459 PolarHBondContact O-N 3.24Å
458	V	25.6	Very low	25.4	Very low	123 Å²	123	134 Å²	134	75%	0.745	72%	0.719	S	S	*	*			trans	-72	112.3	167.9	178.2	0	0	0	0	107.1	S456 S460	S456-V458 PolarHBondContact O-N 2.88Å; V458-S460 PolarHBondContact O-N 2.78Å
459	F	23	Very low	25.7	Very low	198 Å²	198	133.1 Å²	133.1	87%	0.868	71%	0.712	S	S	*	*			trans	-63.1	95	172.8	-84.9	-91.9	0	0	0	109.9	V457	V457-F459 PolarHBondContact O-N 3.24Å
460	S	26.3	Very low	25.7	Very low	97 Å²	97	133 Å²	133	68%	0.678	71%	0.714	S	S	*	*			trans	-79.4	130.1	164.2	54.5	0	0	0	0	109.9	V458	V458-S460 PolarHBondContact O-N 2.78Å
461	N	26.8	Very low	26.1	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	70%	0.699	S	S	*	*			trans	-43.1	133.1	-179.7	-161	-0.3	0	0	0	113.1	N463 D464	N461-N463 PolarHBondContact O-N 2.91Å; N461-D464 PolarHBondContact O-N 3.2Å
462	P	28.1	Very low	26.5	Very low	100 Å²	100	130.4 Å²	130.4	65%	0.649	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-8.9	-168.2	-23.4	33.7	0	0	0	117.1
463	N	25.9	Very low	26.8	Very low	151 Å²	151	134 Å²	134	81%	0.807	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-5	-178.8	-74.3	-17.5	0	0	0	114.6	N461 R465	N461-N463 PolarHBondContact O-N 2.91Å; N463-R465 PolarHBondContact O-N 3.33Å
464	D	27.6	Very low	27.2	Very low	95 Å²	95	133.2 Å²	133.2	51%	0.508	70%	0.697	S	S	.	*			trans	-95.4	72	178.6	-146.1	-6.7	0	0	0	111.1	K359 N461 R466	K359-D464 IonicContact NZ-OD2 3.37Å; N461-D464 PolarHBondContact O-N 3.2Å; D464-R466 PolarHBondContact O-N 2.99Å
465	R	25.9	Very low	27.5	Very low	181 Å²	181	132 Å²	132	68%	0.683	69%	0.689	S	S	*	*			trans	-94.8	37.8	-178.8	-73.5	-171.7	179.2	-176.7	-0.4	114.1	R339 N463 Y467	R339-R465 PolarHBondContact NH2-O 3.23Å; N463-R465 PolarHBondContact O-N 3.33Å; R465-Y467 HydrophobicContact CB-CE2 4.47Å
466	R	29.1	Very low	27.8	Very low	160 Å²	160	134.6 Å²	134.6	60%	0.604	69%	0.694	S	S	*	*			trans	-92.7	98.1	172.4	-63.6	-175.9	-170.3	-177.3	3.6	109.5	D464	D464-R466 PolarHBondContact O-N 2.99Å
467	Y	29.5	Very low	28.1	Very low	186 Å²	186	135 Å²	135	73%	0.729	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-90.6	133.4	179.1	-72.7	-89.3	0	0	0	111.1	R465	R465-Y467 HydrophobicContact CB-CE2 4.47Å
468	S	27.4	Very low	28.8	Very low	83 Å²	83	134.4 Å²	134.4	58%	0.58	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-72.7	137.5	165.9	46.3	0	0	0	0	110	E470	S468-E470 PolarHBondContact O-N 3.31Å
469	Y	29.7	Very low	29.3	Very low	167 Å²	167	134.8 Å²	134.8	66%	0.655	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-78.3	120.6	178.7	-131.7	-94.6	0	0	0	109.5	S471	Y469-S471 PolarHBondContact O-N 3.46Å
470	E	26.5	Very low	29.9	Very low	183 Å²	183	132.9 Å²	132.9	86%	0.855	69%	0.689	S	S	*	*			trans	-69.2	109.7	162.1	-76.9	-174.7	167.7	0	0	107.9	S468 S472	S468-E470 PolarHBondContact O-N 3.31Å; E470-S472 PolarHBondContact O-N 3.35Å
471	S	33.8	Very low	30.4	Very low	58 Å²	58	134.5 Å²	134.5	41%	0.406	69%	0.69	S	S	.	*			trans	-48.6	116.3	171.5	173.2	0	0	0	0	109.2	Y469 K473	Y469-S471 PolarHBondContact O-N 3.46Å; S471-K473 PolarHBondContact O-N 3.41Å
472	S	29	Very low	31.2	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	69%	0.691	S	S	*	*			trans	-50.5	138.1	168.2	46.7	0	0	0	0	110	E470 F474	E470-S472 PolarHBondContact O-N 3.35Å; S472-F474 PolarHBondContact O-N 3.22Å
473	K	29.5	Very low	32.5	Very low	215 Å²	215	135.9 Å²	135.9	94%	0.935	70%	0.697	S	S	*	*			trans	-46.7	100.8	-173.4	-67.7	173.9	178.1	176.6	0	111.8	S471	S471-K473 PolarHBondContact O-N 3.41Å
474	F	30.7	Very low	35.4	Very low	133 Å²	133	131.8 Å²	131.8	58%	0.583	68%	0.675	S	S	*	*			trans	-75.1	127.8	164.4	-109.6	-91	0	0	0	108.4	S472 N476	S472-F474 PolarHBondContact O-N 3.22Å; F474-N476 PolarHBondContact O-N 3.18Å
475	S	30.5	Very low	38.6	Very low	84 Å²	84	130.5 Å²	130.5	59%	0.587	67%	0.665	S	S	*	*			trans	-61.5	127.4	167.5	50	0	0	0	0	109	T477	S475-T477 PolarHBondContact O-N 3.1Å
476	N	31.2	Very low	41.9	Very low	166 Å²	166	122 Å²	122	89%	0.888	63%	0.633	S	S	*	*	S	Bend	trans	-67.4	56.1	-179.1	-80.9	-15	0	0	0	113.4	F474	F474-N476 PolarHBondContact O-N 3.18Å
477	T	30	Very low	45.2	Very low	121 Å²	121	117.3 Å²	117.3	74%	0.742	62%	0.624	S	S	*	*			trans	-126.6	63.8	177	58.6	0	0	0	0	110	S475	S475-T477 PolarHBondContact O-N 3.1Å
478	S	39.1	Very low	48.4	Very low	99 Å²	99	110.9 Å²	110.9	69%	0.692	60%	0.598	S	S	*	*	S	Bend	trans	-143.7	113.7	160.4	47.7	0	0	0	0	106.6	E480	S478-E480 PolarHBondContact O-N 3.4Å
479	T	35.8	Very low	51.8	Low	131 Å²	131	107 Å²	107	80%	0.804	57%	0.571	S	S	*	*			trans	-48.3	117.6	175.8	41.2	0	0	0	0	110.3	N481	T479-N481 VanDerWaalsContact C-N 3.29Å; T479-N481 PolarHBondContact O-N 3.47Å
480	E	35.5	Very low	55.1	Low	158 Å²	158	99 Å²	99	74%	0.738	54%	0.54	S	S	*	.			trans	-68.3	80.8	178.8	-67.1	-170.1	143	0	0	110.7	R409 S478 N482	R409-E480 IonicContact NH2-OE1 3.09Å; S478-E480 PolarHBondContact O-N 3.4Å; E480-N482 PolarHBondContact O-N 3.01Å
481	N	37	Very low	58.5	Low	130 Å²	130	90.3 Å²	90.3	70%	0.695	50%	0.499	S	S	*	.			trans	-68.4	111.9	161.9	-84.4	-11.2	0	0	0	108	T479 T483	T479-N481 VanDerWaalsContact C-N 3.29Å; T479-N481 PolarHBondContact O-N 3.47Å; N481-T483 PolarHBondContact O-N 2.91Å
482	N	44.1	Very low	61.6	Low	130 Å²	130	87.7 Å²	87.7	70%	0.695	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	8.4	-174	-120.3	-14.2	0	0	0	114.8	E480	E480-N482 PolarHBondContact O-N 3.01Å
483	T	55.5	Low	64.9	Low	127 Å²	127	83.1 Å²	83.1	78%	0.779	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	29.4	-177	53.1	0	0	0	0	114.2	N481 K485	N481-T483 PolarHBondContact O-N 2.91Å; T483-K485 VanDerWaalsContact C-N 3.27Å; T483-K485 PolarHBondContact O-N 3.31Å
484	N	86.8	Confident	68.2	Low	64 Å²	64	72.9 Å²	72.9	34%	0.342	40%	0.404	S	S	.	.			trans	-80.1	28.3	-173.3	-162.8	13.8	0	0	0	116.3	L404 R405	L404-N484 PolarHBondContact O-ND2 3.34Å; L404-N484 VanDerWaalsContact O-ND2 3.1Å; R405-N484 WeakPolarHBondContact CB-O 3.4Å; R405-N484 VanDerWaalsContact CG-O 3.28Å; R405-N484 WeakPolarHBondContact CG-O 3.44Å; R405-N484 PolarHBondContact NH1-O 3.44Å; R405-N484 PolarHBondContact NH1-OD1 2.87Å
485	K	94.2	Very high	71.3	Confident	69 Å²	69	66.6 Å²	66.6	30%	0.3	38%	0.376	S	S	.	.			trans	-78.4	140.4	176.6	-82.3	176.5	167.5	176.6	0	110.6	T483 E553 G556 C557 T558	T483-K485 VanDerWaalsContact C-N 3.27Å; T483-K485 PolarHBondContact O-N 3.31Å; K485-E553 IonicContact NZ-OE1 3.47Å; K485-E553 PolarHBondContact NZ-OE1 2.84Å; K485-G556 WeakPolarHBondContact CA-O 3.27Å; K485-C557 VanDerWaalsContact CD-O 3.26Å; K485-C557 WeakPolarHBondContact CD-O 3.35Å; K485-T558 HydrophobicContact CB-CG2 3.87Å
486	S	96.3	Very high	74.2	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.9	175.5	-178.1	0	0	0	0	111.2	Y488 P520 G556 C557 T558	S486-Y488 WeakPolarHBondContact CB-O 3.02Å; S486-Y488 PolarHBondContact O-N 3.09Å; S486-Y488 PolarHBondContact OG-N 3.02Å; S486-Y488 VanDerWaalsContact OG-N 3.12Å; S486-Y488 PolarHBondContact OG-O 3.48Å; S486-P520 VanDerWaalsContact CB-CD 3.47Å; S486-G556 PolarHBondContact N-O 3.43Å; S486-C557 CarbonylContact O-C 3.53Å; S486-C557 WeakPolarHBondContact O-CA 3.47Å; S486-C557 VanDerWaalsContact O-CB 3.26Å; S486-C557 WeakPolarHBondContact O-CB 3.5Å; S486-T558 PolarHBondContact O-N 3.33Å
487	P	96.4	Very high	77.2	Confident	63 Å²	63	55.7 Å²	55.7	41%	0.409	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-1	169.2	33.3	-34.7	0	0	0	112.9	A561 K562	P487-A561 CarbonylContact O-C 3.54Å; P487-A561 WeakPolarHBondContact O-CA 3.02Å; P487-A561 WeakPolarHBondContact O-CB 3.33Å; P487-K562 PolarHBondContact O-N 3.37Å
488	Y	97.9	Very high	80.4	Confident	51 Å²	51	50.1 Å²	50.1	20%	0.2	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.4	-172.7	-54.1	-46.9	0	0	0	111.6	S486 C519 K562 F863 H864	S486-Y488 WeakPolarHBondContact CB-O 3.02Å; S486-Y488 PolarHBondContact O-N 3.09Å; S486-Y488 PolarHBondContact OG-N 3.02Å; S486-Y488 VanDerWaalsContact OG-N 3.12Å; S486-Y488 PolarHBondContact OG-O 3.48Å; Y488-C519 WeakPolarHBondContact O-CB 3.34Å; Y488-K562 CarbonylContact C-O 3.55Å; Y488-K562 WeakPolarHBondContact CA-O 3.12Å; Y488-K562 HydrophobicContact CD1-CB 4.19Å; Y488-K562 HydrophobicContact CE1-CD 4.31Å; Y488-F863 HydrophobicContact CD1-CB 3.88Å; Y488-F863 AromaticContact CD1-CD1 3.54Å; Y488-F863 HydrophobicContact CD1-CD1 3.54Å; Y488-F863 HydrophobicContact CD1-CE1 4.32Å; Y488-F863 AromaticContact CD1-CG 3.9Å; Y488-F863 HydrophobicContact CD1-CG 3.9Å; Y488-F863 HydrophobicContact CD2-CB 4.41Å; Y488-F863 HydrophobicContact CD2-CG 4.37Å; Y488-F863 HydrophobicContact CE1-CB 3.93Å; Y488-F863 HydrophobicContact CE1-CD1 4.38Å; Y488-F863 HydrophobicContact CE1-CG 4.45Å; Y488-F863 HydrophobicContact CE2-CB 4.45Å; Y488-F863 HydrophobicContact CG-CB 4.15Å; Y488-F863 AromaticContact CG-CD1 3.69Å; Y488-F863 HydrophobicContact CG-CD1 3.69Å; Y488-F863 HydrophobicContact CG-CD2 4.48Å; Y488-F863 HydrophobicContact CG-CE1 4.18Å; Y488-F863 AromaticContact CG-CG 3.88Å; Y488-F863 HydrophobicContact CG-CG 3.88Å; Y488-H864 PolarHBondContact OH-ND1 2.74Å
489	I	98.6	Very high	83	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.9	168.6	-65.4	170.7	0	0	0	108	I522 I548 R552 C557 A561 K562 I563 V564 F863	I489-I522 HydrophobicContact CG2-CG1 3.92Å; I489-I548 HydrophobicContact CD1-CG2 4.12Å; I489-I548 HydrophobicContact CG2-CG2 4.1Å; I489-R552 HydrophobicContact CD1-CB 4.07Å; I489-R552 HydrophobicContact CD1-CG 3.8Å; I489-C557 HydrophobicContact CD1-CB 3.87Å; I489-C557 HydrophobicContact CG1-CB 3.88Å; I489-C557 WeakPolarHBondContact CG1-SG 3.5Å; I489-A561 HydrophobicContact CD1-CB 4.41Å; I489-A561 HydrophobicContact CG1-CB 4.41Å; I489-K562 PolarHBondContact N-O 3.24Å; I489-I563 HydrophobicContact CB-CG1 4.22Å; I489-I563 HydrophobicContact CD1-CG1 4.37Å; I489-I563 HydrophobicContact CG2-CG2 4.41Å; I489-I563 WeakPolarHBondContact O-CA 3.24Å; I489-V564 PolarHBondContact O-N 2.87Å; I489-F863 WeakPolarHBondContact O-CE1 3.22Å
490	L	98.8	Very high	85.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.8	164.9	-169.7	71.6	0	0	0	108.9	W513 L517 P520 I521 I522 V564 A566 V859 F863	L490-W513 HydrophobicContact CD2-CE3 3.67Å; L490-W513 HydrophobicContact CD2-CZ3 4.07Å; L490-L517 HydrophobicContact CD2-CD1 4Å; L490-P520 PolarHBondContact N-O 2.84Å; L490-I521 HydrophobicContact CB-CG1 4.1Å; L490-I521 HydrophobicContact CB-CG2 4.46Å; L490-I521 HydrophobicContact CD2-CD1 3.94Å; L490-I521 HydrophobicContact CD2-CG1 4.06Å; L490-I521 HydrophobicContact CD2-CG2 4.22Å; L490-I521 CarbonylContact O-C 3.5Å; L490-I521 WeakPolarHBondContact O-CA 3.42Å; L490-I522 PolarHBondContact O-N 3.02Å; L490-V564 WeakPolarHBondContact CA-O 3.34Å; L490-V564 HydrophobicContact CD1-CB 4.04Å; L490-V564 HydrophobicContact CD1-CG1 3.82Å; L490-A566 HydrophobicContact CD1-CB 3.85Å; L490-A566 HydrophobicContact CD2-CB 4.44Å; L490-A566 HydrophobicContact CG-CB 4.28Å; L490-V859 HydrophobicContact CD1-CG1 3.85Å; L490-F863 HydrophobicContact CB-CZ 4.19Å; L490-F863 HydrophobicContact CD1-CZ 4.18Å
491	F	98.8	Very high	88.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.3	168.8	178.2	-138.1	0	0	0	109.2	M397 V493 I522 V524 C541 A544 Y545 I548 I563 V564 L565 A566	M397-F491 HydrophobicContact CE-CE2 4.34Å; F491-V493 HydrophobicContact CE1-CG2 4.28Å; F491-V493 HydrophobicContact CZ-CG2 4.2Å; F491-I522 CarbonylContact C-O 3.5Å; F491-I522 WeakPolarHBondContact CA-O 3.49Å; F491-I522 WeakPolarHBondContact CD2-O 3.24Å; F491-V524 HydrophobicContact CE2-CB 3.95Å; F491-V524 HydrophobicContact CE2-CG1 3.9Å; F491-V524 HydrophobicContact CZ-CB 4.17Å; F491-V524 HydrophobicContact CZ-CG1 3.85Å; F491-C541 WeakPolarHBondContact CE1-O 3.25Å; F491-A544 HydrophobicContact CE2-CB 4.18Å; F491-A544 HydrophobicContact CZ-CB 3.85Å; F491-Y545 AromaticContact CD1-CD2 3.92Å; F491-Y545 HydrophobicContact CD1-CD2 3.92Å; F491-Y545 HydrophobicContact CE1-CD2 4.47Å; F491-I548 HydrophobicContact CB-CD1 4.09Å; F491-I548 HydrophobicContact CD1-CD1 4.36Å; F491-I548 HydrophobicContact CD2-CD1 3.32Å; F491-I548 HydrophobicContact CE2-CD1 3.82Å; F491-I548 HydrophobicContact CG-CD1 3.67Å; F491-I548 HydrophobicContact CZ-CD1 4.5Å; F491-I563 HydrophobicContact CB-CG2 4.1Å; F491-V564 PolarHBondContact N-O 3.12Å; F491-L565 HydrophobicContact CB-CD1 4.12Å; F491-L565 HydrophobicContact CB-CG 4.39Å; F491-L565 HydrophobicContact CD1-CD1 3.88Å; F491-L565 HydrophobicContact CD1-CD2 4.24Å; F491-L565 HydrophobicContact CD1-CG 3.79Å; F491-L565 CarbonylContact O-C 3.57Å; F491-L565 WeakPolarHBondContact O-CA 3.32Å; F491-A566 PolarHBondContact O-N 2.91Å
492	Y	98.8	Very high	90.8	Very high	3 Å²	3	28 Å²	28	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137	-172.3	178.7	-98.6	0	0	0	112.5	H494 Q506 F509 L510 I522 A523 V524 A566 D568	Y492-H494 HydrophobicContact CE1-CB 3.91Å; Y492-Q506 HydrophobicContact CE1-CB 3.99Å; Y492-Q506 HydrophobicContact CE1-CG 4.02Å; Y492-Q506 WeakPolarHBondContact OH-CG 2.99Å; Y492-F509 HydrophobicContact CE2-CE2 4.12Å; Y492-F509 HydrophobicContact CE2-CZ 4.39Å; Y492-F509 AromaticContact CZ-CZ 3.96Å; Y492-F509 VanDerWaalsContact OH-CZ 3.25Å; Y492-F509 WeakPolarHBondContact OH-CZ 3.36Å; Y492-L510 HydrophobicContact CD1-CD1 3.54Å; Y492-L510 HydrophobicContact CD1-CD2 4.04Å; Y492-L510 HydrophobicContact CD1-CG 4.35Å; Y492-L510 HydrophobicContact CD2-CD2 3.9Å; Y492-L510 HydrophobicContact CE1-CD1 3.64Å; Y492-L510 HydrophobicContact CE1-CD2 4.21Å; Y492-L510 HydrophobicContact CE1-CG 4.3Å; Y492-L510 HydrophobicContact CE2-CD2 4.11Å; Y492-L510 HydrophobicContact CG-CD1 4.17Å; Y492-L510 HydrophobicContact CG-CD2 3.86Å; Y492-I522 PolarHBondContact N-O 3Å; Y492-A523 HydrophobicContact CD1-CB 4.06Å; Y492-A523 VanDerWaalsContact O-CA 3.3Å; Y492-A523 WeakPolarHBondContact O-CA 3.49Å; Y492-V524 PolarHBondContact O-N 2.95Å; Y492-A566 CarbonylContact C-O 3.27Å; Y492-A566 VanDerWaalsContact CA-O 3.27Å; Y492-A566 WeakPolarHBondContact CA-O 3.31Å; Y492-A566 HydrophobicContact CD2-CB 4Å; Y492-A566 WeakPolarHBondContact CD2-O 3.21Å; Y492-D568 PolarHBondContact OH-OD1 3.23Å
493	V	98.7	Very high	93.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120	176.6	-169.2	0	0	0	0	108.9	F491 V524 Y526 A566 G567 G571 L574 A575	F491-V493 HydrophobicContact CE1-CG2 4.28Å; F491-V493 HydrophobicContact CZ-CG2 4.2Å; V493-V524 HydrophobicContact CB-CG1 4.44Å; V493-V524 HydrophobicContact CG1-CG1 4.16Å; V493-V524 HydrophobicContact CG2-CG1 4.06Å; V493-Y526 HydrophobicContact CG1-CD1 3.89Å; V493-Y526 HydrophobicContact CG1-CE1 3.76Å; V493-A566 PolarHBondContact N-O 2.6Å; V493-G567 VanDerWaalsContact O-CA 3.26Å; V493-G567 WeakPolarHBondContact O-CA 3Å; V493-G571 WeakPolarHBondContact O-CA 3.32Å; V493-L574 HydrophobicContact CG1-CB 3.98Å; V493-L574 HydrophobicContact CG1-CD1 4.04Å; V493-A575 HydrophobicContact CG2-CB 4.23Å
494	H	97.1	Very high	94.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.104	C	C	.	.			trans	-75.3	150.9	-173.8	67.8	83	0	0	0	112.8	Y492 L501 T502 S503 Q506 V524 Y526 G571	Y492-H494 HydrophobicContact CE1-CB 3.91Å; H494-L501 PolarHBondContact CE1-O 2.76Å; H494-T502 VanDerWaalsContact CD2-C 3.43Å; H494-S503 PolarHBondContact CD2-N 3.17Å; H494-Q506 HydrophobicContact CB-CG 4.03Å; H494-V524 PolarHBondContact CD2-O 3.42Å; H494-V524 VanDerWaalsContact CD2-O 3.29Å; H494-Y526 AromaticContact CD2-CE1 3.79Å; H494-Y526 AromaticContact CE1-CE1 3.53Å; H494-Y526 AromaticContact CE1-CZ 3.5Å; H494-Y526 VanDerWaalsContact CE1-CZ 3.5Å; H494-Y526 PolarHBondContact CE1-OH 3.33Å; H494-Y526 AromaticContact CG-CE1 3.98Å; H494-Y526 AromaticContact ND1-CE1 3.82Å; H494-Y526 AromaticContact ND1-CZ 3.87Å; H494-Y526 AromaticContact NE2-CD1 3.84Å; H494-Y526 AromaticContact NE2-CE1 3.52Å; H494-Y526 AromaticContact NE2-CZ 3.92Å; H494-Y526 WeakPolarHBondContact O-CE1 3.25Å; H494-Y526 PolarHBondContact O-OH 3Å; H494-G571 WeakPolarHBondContact O-CA 3.48Å; H494-G571 PolarHBondContact O-N 2.74Å
495	G	95.6	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.			trans	-73.2	-162.6	166.1	0	0	0	0	0	113.8	D568	G495-D568 WeakPolarHBondContact CA-O 3.49Å; G495-D568 PolarHBondContact N-O 3.19Å; G495-D568 PolarHBondContact N-OD1 3.14Å
496	G	93	Very high	94.4	Very high	11 Å²	11	14.4 Å²	14.4	11%	0.113	8%	0.082	C	C	.	.	S	Bend	trans	116.9	21.4	-175.9	0	0	0	0	0	114.1	F498 I499 A500	G496-F498 PolarHBondContact O-N 3.24Å; G496-I499 PolarHBondContact O-N 2.78Å; G496-I499 VanDerWaalsContact O-N 3.08Å; G496-A500 PolarHBondContact O-N 3.42Å
497	G	94.1	Very high	94	Very high	10 Å²	10	14.8 Å²	14.8	10%	0.103	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	27.5	174.6	0	0	0	0	0	113.9	I499 C628	G497-I499 WeakPolarHBondContact O-CG2 3.47Å; G497-I499 PolarHBondContact O-N 3.07Å; G497-C628 WeakPolarHBondContact O-CB 3.17Å
498	F	95.9	Very high	93.6	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.022	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-8.8	-171.9	-43.4	-81.7	0	0	0	115.5	G496 L528 S529 A570 N573 L574 V603 Y632	G496-F498 PolarHBondContact O-N 3.24Å; F498-L528 WeakPolarHBondContact O-CA 3.17Å; F498-S529 PolarHBondContact O-N 3.12Å; F498-A570 HydrophobicContact CD1-CB 3.73Å; F498-A570 HydrophobicContact CD2-CB 3.88Å; F498-A570 HydrophobicContact CE1-CB 3.64Å; F498-A570 WeakPolarHBondContact CE1-O 3.3Å; F498-A570 HydrophobicContact CE2-CB 3.78Å; F498-A570 HydrophobicContact CG-CB 3.85Å; F498-A570 HydrophobicContact CZ-CB 3.66Å; F498-N573 HydrophobicContact CE1-CB 4.28Å; F498-N573 HydrophobicContact CZ-CB 4.05Å; F498-L574 HydrophobicContact CD1-CD1 4.36Å; F498-L574 HydrophobicContact CD1-CD2 4.5Å; F498-L574 HydrophobicContact CD1-CG 4.34Å; F498-L574 HydrophobicContact CE1-CD2 4.3Å; F498-L574 HydrophobicContact CE1-CG 4.08Å; F498-V603 HydrophobicContact CZ-CG2 4.45Å; F498-Y632 HydrophobicContact CB-CD2 3.62Å; F498-Y632 HydrophobicContact CB-CE2 4.34Å; F498-Y632 HydrophobicContact CB-CG 3.97Å; F498-Y632 HydrophobicContact CD1-CD1 4.19Å; F498-Y632 AromaticContact CD1-CD2 3.58Å; F498-Y632 HydrophobicContact CD1-CD2 3.58Å; F498-Y632 HydrophobicContact CD1-CE1 4.15Å; F498-Y632 AromaticContact CD1-CE2 3.52Å; F498-Y632 HydrophobicContact CD1-CE2 3.52Å; F498-Y632 AromaticContact CD1-CG 3.91Å; F498-Y632 HydrophobicContact CD1-CG 3.91Å; F498-Y632 AromaticContact CD1-CZ 3.81Å; F498-Y632 AromaticContact CD2-CD1 4Å; F498-Y632 HydrophobicContact CD2-CD1 4Å; F498-Y632 HydrophobicContact CD2-CD2 4.14Å; F498-Y632 AromaticContact CD2-CG 3.71Å; F498-Y632 HydrophobicContact CD2-CG 3.71Å; F498-Y632 HydrophobicContact CE1-CD1 4.12Å; F498-Y632 HydrophobicContact CE1-CD2 4.24Å; F498-Y632 AromaticContact CE1-CE1 3.82Å; F498-Y632 HydrophobicContact CE1-CE1 3.82Å; F498-Y632 AromaticContact CE1-CE2 3.96Å; F498-Y632 HydrophobicContact CE1-CE2 3.96Å; F498-Y632 HydrophobicContact CE1-CG 4.31Å; F498-Y632 AromaticContact CE1-CZ 3.72Å; F498-Y632 AromaticContact CE2-CD1 3.94Å; F498-Y632 HydrophobicContact CE2-CD1 3.94Å; F498-Y632 HydrophobicContact CE2-CE1 4.37Å; F498-Y632 HydrophobicContact CE2-CG 4.15Å; F498-Y632 HydrophobicContact CG-CD1 4.13Å; F498-Y632 AromaticContact CG-CD2 3.51Å; F498-Y632 HydrophobicContact CG-CD2 3.51Å; F498-Y632 AromaticContact CG-CE2 3.99Å; F498-Y632 HydrophobicContact CG-CE2 3.99Å; F498-Y632 AromaticContact CG-CG 3.59Å; F498-Y632 HydrophobicContact CG-CG 3.59Å; F498-Y632 HydrophobicContact CZ-CD1 4Å; F498-Y632 AromaticContact CZ-CE1 3.95Å; F498-Y632 HydrophobicContact CZ-CE1 3.95Å; F498-Y632 HydrophobicContact CZ-CG 4.43Å
499	I	94.2	Very high	93.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-16.5	-169	65.7	165.8	0	0	0	114.9	V326 C329 K330 W333 G496 G497 S529 A631	V326-I499 HydrophobicContact CG2-CB 4.43Å; V326-I499 HydrophobicContact CG2-CD1 3.82Å; V326-I499 HydrophobicContact CG2-CG2 4.01Å; C329-I499 HydrophobicContact CB-CD1 3.93Å; K330-I499 WeakPolarHBondContact CD-O 3.4Å; K330-I499 WeakPolarHBondContact CE-O 3.47Å; K330-I499 WeakPolarHBondContact CG-O 3.43Å; W333-I499 HydrophobicContact CE3-CD1 4.2Å; W333-I499 HydrophobicContact CE3-CG1 4.23Å; W333-I499 HydrophobicContact CZ3-CD1 3.9Å; W333-I499 HydrophobicContact CZ3-CG1 3.97Å; G496-I499 PolarHBondContact O-N 2.78Å; G496-I499 VanDerWaalsContact O-N 3.08Å; G497-I499 WeakPolarHBondContact O-CG2 3.47Å; G497-I499 PolarHBondContact O-N 3.07Å; I499-S529 VanDerWaalsContact CA-O 3.3Å; I499-S529 WeakPolarHBondContact CA-O 3.48Å; I499-S529 WeakPolarHBondContact CB-O 3.36Å; I499-S529 WeakPolarHBondContact CG2-O 3.4Å; I499-A631 HydrophobicContact CG2-CB 3.65Å
500	A	91.2	Very high	93.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-145	177.3	-170.8	0	0	0	0	0	112.5	W333 G496	W333-A500 HydrophobicContact CB-CB 4.02Å; W333-A500 HydrophobicContact CE3-CB 3.92Å; G496-A500 PolarHBondContact O-N 3.42Å
501	L	90.1	Very high	93.1	Very high	21 Å²	21	11.6 Å²	11.6	11%	0.11	7%	0.065	C	C	.	.			trans	69.6	175.5	178.9	-52.5	-177.6	0	0	0	114.3	N334 H494 S505	N334-L501 PolarHBondContact OD1-N 3.06Å; H494-L501 PolarHBondContact CE1-O 2.76Å; L501-S505 WeakPolarHBondContact CB-OG 2.95Å
502	T	91.3	Very high	92.9	Very high	33 Å²	33	12.9 Å²	12.9	20%	0.202	7%	0.072	C	C	.	.			trans	-143	173.4	178.4	72.8	0	0	0	0	110.1	E337 H494 Q504 S505	E337-T502 PolarHBondContact OE2-OG1 3.49Å; H494-T502 VanDerWaalsContact CD2-C 3.43Å; T502-Q504 PolarHBondContact O-N 2.9Å; T502-Q504 WeakPolarHBondContact OG1-CB 3.3Å; T502-Q504 PolarHBondContact OG1-N 3.46Å; T502-Q504 VanDerWaalsContact OG1-N 3.12Å; T502-S505 PolarHBondContact N-OG 3.21Å; T502-S505 VanDerWaalsContact O-CB 3.3Å; T502-S505 WeakPolarHBondContact O-CB 3.31Å; T502-S505 PolarHBondContact O-N 2.94Å; T502-S505 VanDerWaalsContact O-N 3.17Å; T502-S505 PolarHBondContact O-OG 3.49Å; T502-S505 PolarHBondContact OG1-N 3.39Å
503	S	91	Very high	92.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-57.1	-30.1	169.1	60.7	0	0	0	0	113.2	R398 H494 D525	R398-S503 VanDerWaalsContact CB-OG 3.27Å; R398-S503 WeakPolarHBondContact CB-OG 3.29Å; R398-S503 VanDerWaalsContact CD-OG 3.26Å; R398-S503 WeakPolarHBondContact CD-OG 3.48Å; H494-S503 PolarHBondContact CD2-N 3.17Å; S503-D525 WeakPolarHBondContact CB-OD1 3.44Å; S503-D525 PolarHBondContact N-OD1 3.17Å; S503-D525 VanDerWaalsContact OG-CG 3.3Å; S503-D525 PolarHBondContact OG-OD1 2.94Å; S503-D525 PolarHBondContact OG-OD2 3.28Å
504	Q	89	Confident	92.8	Very high	77 Å²	77	12.8 Å²	12.8	36%	0.36	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-73.7	-28.2	179.7	-176.6	171	7.9	0	0	112.5	T502 Q506 D507	T502-Q504 PolarHBondContact O-N 2.9Å; T502-Q504 WeakPolarHBondContact OG1-CB 3.3Å; T502-Q504 PolarHBondContact OG1-N 3.46Å; T502-Q504 VanDerWaalsContact OG1-N 3.12Å; Q504-Q506 PolarHBondContact O-N 2.92Å; Q504-D507 WeakPolarHBondContact O-CB 3.2Å; Q504-D507 PolarHBondContact O-N 2.87Å; Q504-D507 VanDerWaalsContact O-N 3.12Å
505	S	85.3	Confident	92.7	Very high	23 Å²	23	16.4 Å²	16.4	16%	0.161	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-54.1	-29.1	177	-50.5	0	0	0	0	113	E337 L501 T502	E337-S505 WeakPolarHBondContact OE1-CA 3.44Å; E337-S505 WeakPolarHBondContact OE1-CB 3.46Å; E337-S505 PolarHBondContact OE1-OG 2.95Å; E337-S505 PolarHBondContact OE2-OG 3.24Å; L501-S505 WeakPolarHBondContact CB-OG 2.95Å; T502-S505 PolarHBondContact N-OG 3.21Å; T502-S505 VanDerWaalsContact O-CB 3.3Å; T502-S505 WeakPolarHBondContact O-CB 3.31Å; T502-S505 PolarHBondContact O-N 2.94Å; T502-S505 VanDerWaalsContact O-N 3.17Å; T502-S505 PolarHBondContact O-OG 3.49Å; T502-S505 PolarHBondContact OG1-N 3.39Å
506	Q	89.4	Confident	92.8	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-100.2	8.7	-172.1	-53.5	-65.7	36.2	0	0	113.2	Y492 H494 Q504 N508 F509 L510 D568 N840	Y492-Q506 HydrophobicContact CE1-CB 3.99Å; Y492-Q506 HydrophobicContact CE1-CG 4.02Å; Y492-Q506 WeakPolarHBondContact OH-CG 2.99Å; H494-Q506 HydrophobicContact CB-CG 4.03Å; Q504-Q506 PolarHBondContact O-N 2.92Å; Q506-N508 WeakPolarHBondContact CA-OD1 3.4Å; Q506-N508 PolarHBondContact O-N 2.6Å; Q506-N508 VanDerWaalsContact O-N 3.09Å; Q506-N508 PolarHBondContact O-OD1 3.2Å; Q506-N508 VanDerWaalsContact O-OD1 3.13Å; Q506-F509 HydrophobicContact CB-CE1 3.88Å; Q506-F509 HydrophobicContact CB-CE2 4.43Å; Q506-F509 HydrophobicContact CB-CZ 3.77Å; Q506-F509 HydrophobicContact CG-CE1 4.22Å; Q506-F509 HydrophobicContact CG-CZ 4.1Å; Q506-F509 PolarHBondContact O-N 3.06Å; Q506-L510 HydrophobicContact CB-CD1 3.77Å; Q506-L510 HydrophobicContact CB-CG 4.05Å; Q506-L510 VanDerWaalsContact O-CB 3.26Å; Q506-L510 WeakPolarHBondContact O-CB 3.24Å; Q506-L510 WeakPolarHBondContact O-CG 3.4Å; Q506-L510 PolarHBondContact O-N 2.95Å; Q506-D568 PolarHBondContact NE2-OD1 3.18Å; Q506-D568 PolarHBondContact NE2-OD2 3.44Å; Q506-N840 PolarHBondContact NE2-OD1 2.93Å; Q506-N840 PolarHBondContact OE1-OD1 3.2Å
507	D	89.5	Confident	93	Very high	9 Å²	9	20 Å²	20	5%	0.048	10%	0.103	C	C	.	.	H	α-helix	trans	-55.9	-27.7	175.5	-92.2	23.7	0	0	0	112	R398 Q504 F509 R511	R398-D507 IonicContact CZ-OD1 2.71Å; R398-D507 IonicContact CZ-OD2 2.71Å; R398-D507 IonicContact NE-OD1 3.9Å; R398-D507 PolarHBondContact NE-OD1 3.36Å; R398-D507 IonicContact NH2-OD1 2.74Å; R398-D507 PolarHBondContact NH2-OD1 3.39Å; R398-D507 IonicContact NH2-OD2 2.85Å; R398-D507 PolarHBondContact NH2-OD2 2.83Å; Q504-D507 WeakPolarHBondContact O-CB 3.2Å; Q504-D507 PolarHBondContact O-N 2.87Å; Q504-D507 VanDerWaalsContact O-N 3.12Å; D507-F509 PolarHBondContact O-N 3.42Å; D507-R511 HydrophobicContact CB-CG 4.36Å; D507-R511 WeakPolarHBondContact O-CB 3.09Å; D507-R511 VanDerWaalsContact O-CG 3.32Å; D507-R511 WeakPolarHBondContact O-CG 3.29Å; D507-R511 PolarHBondContact O-N 2.9Å; D507-R511 VanDerWaalsContact O-N 3.1Å; D507-R511 IonicContact OD2-CZ 3.13Å; D507-R511 VanDerWaalsContact OD2-CZ 3.29Å; D507-R511 IonicContact OD2-NE 3.5Å; D507-R511 PolarHBondContact OD2-NE 2.87Å; D507-R511 IonicContact OD2-NH2 2.67Å; D507-R511 PolarHBondContact OD2-NH2 3.44Å
508	N	87.2	Confident	93.1	Very high	24 Å²	24	23.3 Å²	23.3	13%	0.128	12%	0.118	C	C	.	.	H	α-helix	trans	-54.1	-45.8	179	59.1	-15.7	0	0	0	113.6	L349 Q506 I512 N840 L843	L349-N508 VanDerWaalsContact CD2-O 3.25Å; L349-N508 WeakPolarHBondContact CD2-O 3.12Å; Q506-N508 WeakPolarHBondContact CA-OD1 3.4Å; Q506-N508 PolarHBondContact O-N 2.6Å; Q506-N508 VanDerWaalsContact O-N 3.09Å; Q506-N508 PolarHBondContact O-OD1 3.2Å; Q506-N508 VanDerWaalsContact O-OD1 3.13Å; N508-I512 WeakPolarHBondContact O-CD1 3.44Å; N508-N840 WeakPolarHBondContact ND2-CA 3.34Å; N508-N840 PolarHBondContact ND2-O 3.26Å; N508-L843 HydrophobicContact CB-CD1 4.21Å
509	F	93.5	Very high	93.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-101.7	-32.1	173.1	61.6	-94.5	0	0	0	112.6	Y492 Q506 D507 R511 I512 W513 L839 N840 C842	Y492-F509 HydrophobicContact CE2-CE2 4.12Å; Y492-F509 HydrophobicContact CE2-CZ 4.39Å; Y492-F509 AromaticContact CZ-CZ 3.96Å; Y492-F509 VanDerWaalsContact OH-CZ 3.25Å; Y492-F509 WeakPolarHBondContact OH-CZ 3.36Å; Q506-F509 HydrophobicContact CB-CE1 3.88Å; Q506-F509 HydrophobicContact CB-CE2 4.43Å; Q506-F509 HydrophobicContact CB-CZ 3.77Å; Q506-F509 HydrophobicContact CG-CE1 4.22Å; Q506-F509 HydrophobicContact CG-CZ 4.1Å; Q506-F509 PolarHBondContact O-N 3.06Å; D507-F509 PolarHBondContact O-N 3.42Å; F509-R511 VanDerWaalsContact C-N 3.29Å; F509-R511 PolarHBondContact O-N 3.32Å; F509-I512 WeakPolarHBondContact O-CA 3.34Å; F509-I512 WeakPolarHBondContact O-CB 3.41Å; F509-I512 PolarHBondContact O-N 2.8Å; F509-W513 HydrophobicContact CD2-CZ2 4.44Å; F509-W513 AromaticContact CD2-NE1 3.96Å; F509-W513 PolarHBondContact O-N 3.05Å; F509-L839 HydrophobicContact CD1-CB 3.84Å; F509-L839 WeakPolarHBondContact CD1-O 3.48Å; F509-L839 HydrophobicContact CE1-CB 3.82Å; F509-L839 HydrophobicContact CE2-CD1 4.38Å; F509-L839 HydrophobicContact CG-CB 4.23Å; F509-L839 HydrophobicContact CZ-CB 4.18Å; F509-L839 HydrophobicContact CZ-CD1 4.43Å; F509-N840 WeakPolarHBondContact CE1-OD1 3.49Å; F509-C842 HydrophobicContact CB-CB 4.46Å
510	L	95.9	Very high	93.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-31.5	-177.6	-69	179.3	0	0	0	113.2	L400 Y492 Q506 I512 W513 A514 I521	L400-L510 HydrophobicContact CD1-CB 3.73Å; L400-L510 HydrophobicContact CD1-CD1 4.33Å; Y492-L510 HydrophobicContact CD1-CD1 3.54Å; Y492-L510 HydrophobicContact CD1-CD2 4.04Å; Y492-L510 HydrophobicContact CD1-CG 4.35Å; Y492-L510 HydrophobicContact CD2-CD2 3.9Å; Y492-L510 HydrophobicContact CE1-CD1 3.64Å; Y492-L510 HydrophobicContact CE1-CD2 4.21Å; Y492-L510 HydrophobicContact CE1-CG 4.3Å; Y492-L510 HydrophobicContact CE2-CD2 4.11Å; Y492-L510 HydrophobicContact CG-CD1 4.17Å; Y492-L510 HydrophobicContact CG-CD2 3.86Å; Q506-L510 HydrophobicContact CB-CD1 3.77Å; Q506-L510 HydrophobicContact CB-CG 4.05Å; Q506-L510 VanDerWaalsContact O-CB 3.26Å; Q506-L510 WeakPolarHBondContact O-CB 3.24Å; Q506-L510 WeakPolarHBondContact O-CG 3.4Å; Q506-L510 PolarHBondContact O-N 2.95Å; L510-I512 VanDerWaalsContact C-N 3.34Å; L510-W513 PolarHBondContact O-N 2.68Å; L510-A514 WeakPolarHBondContact O-CB 3.44Å; L510-A514 PolarHBondContact O-N 3.4Å; L510-I521 HydrophobicContact CD2-CD1 4.39Å; L510-I521 HydrophobicContact CD2-CG2 4.35Å; L510-I521 WeakPolarHBondContact O-CD1 3.24Å
511	R	95.1	Very high	93.7	Very high	24 Å²	24	23.1 Å²	23.1	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-69	-35.1	174.3	-70.5	-171.7	-173.9	-175.8	12.7	112.7	N346 M352 L400 D507 F509 W513 A514 E515	N346-R511 VanDerWaalsContact OD1-CZ 3.23Å; N346-R511 PolarHBondContact OD1-NH1 3.33Å; N346-R511 PolarHBondContact OD1-NH2 3.25Å; M352-R511 HydrophobicContact CE-CB 4.04Å; M352-R511 HydrophobicContact CE-CG 4.41Å; M352-R511 WeakPolarHBondContact CE-O 3.49Å; M352-R511 HydrophobicContact CG-CG 3.9Å; M352-R511 HydrophobicContact SD-CB 4.49Å; M352-R511 HydrophobicContact SD-CG 4.34Å; L400-R511 HydrophobicContact CD1-CG 4.45Å; D507-R511 HydrophobicContact CB-CG 4.36Å; D507-R511 WeakPolarHBondContact O-CB 3.09Å; D507-R511 VanDerWaalsContact O-CG 3.32Å; D507-R511 WeakPolarHBondContact O-CG 3.29Å; D507-R511 PolarHBondContact O-N 2.9Å; D507-R511 VanDerWaalsContact O-N 3.1Å; D507-R511 IonicContact OD2-CZ 3.13Å; D507-R511 VanDerWaalsContact OD2-CZ 3.29Å; D507-R511 IonicContact OD2-NE 3.5Å; D507-R511 PolarHBondContact OD2-NE 2.87Å; D507-R511 IonicContact OD2-NH2 2.67Å; D507-R511 PolarHBondContact OD2-NH2 3.44Å; F509-R511 VanDerWaalsContact C-N 3.29Å; F509-R511 PolarHBondContact O-N 3.32Å; R511-W513 VanDerWaalsContact C-N 3.31Å; R511-A514 PolarHBondContact O-N 3.4Å; R511-E515 PolarHBondContact O-N 3.47Å; R511-E515 VanDerWaalsContact O-N 3.12Å
512	I	95.5	Very high	94	Very high	27 Å²	27	22.1 Å²	22.1	14%	0.138	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-41.5	172.8	-57.3	174.7	0	0	0	109.2	L349 P350 N508 F509 L510 E515 Q516 L843 I856	L349-I512 HydrophobicContact CD2-CG1 4.43Å; P350-I512 HydrophobicContact CG-CG1 4.49Å; N508-I512 WeakPolarHBondContact O-CD1 3.44Å; F509-I512 WeakPolarHBondContact O-CA 3.34Å; F509-I512 WeakPolarHBondContact O-CB 3.41Å; F509-I512 PolarHBondContact O-N 2.8Å; L510-I512 VanDerWaalsContact C-N 3.34Å; I512-E515 PolarHBondContact O-N 2.84Å; I512-Q516 HydrophobicContact CG2-CG 4.43Å; I512-Q516 WeakPolarHBondContact O-CB 3.3Å; I512-Q516 WeakPolarHBondContact O-CG 3.45Å; I512-Q516 PolarHBondContact O-N 3.48Å; I512-L843 HydrophobicContact CD1-CD2 4.04Å; I512-I856 HydrophobicContact CG2-CD1 3.97Å
513	W	98.3	Very high	94.4	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-45.6	176.4	-71.5	35.1	0	0	0	111.5	L490 F509 L510 R511 E515 Q516 L517 I521 A566 F595 L839 N852 C855 I856 V859	L490-W513 HydrophobicContact CD2-CE3 3.67Å; L490-W513 HydrophobicContact CD2-CZ3 4.07Å; F509-W513 HydrophobicContact CD2-CZ2 4.44Å; F509-W513 AromaticContact CD2-NE1 3.96Å; F509-W513 PolarHBondContact O-N 3.05Å; L510-W513 PolarHBondContact O-N 2.68Å; R511-W513 VanDerWaalsContact C-N 3.31Å; W513-E515 PolarHBondContact O-N 3.32Å; W513-Q516 PolarHBondContact O-N 2.83Å; W513-L517 HydrophobicContact CB-CD1 4.04Å; W513-L517 HydrophobicContact CE3-CD1 4.08Å; W513-L517 WeakPolarHBondContact O-CB 3.26Å; W513-L517 VanDerWaalsContact O-CG 3.28Å; W513-L517 WeakPolarHBondContact O-CG 3.39Å; W513-L517 PolarHBondContact O-N 3.2Å; W513-I521 HydrophobicContact CB-CD1 3.77Å; W513-A566 HydrophobicContact CZ3-CB 4.37Å; W513-F595 AromaticContact CH2-CD1 3.94Å; W513-F595 HydrophobicContact CH2-CD1 3.94Å; W513-F595 AromaticContact CH2-CE1 3.67Å; W513-F595 HydrophobicContact CH2-CE1 3.67Å; W513-F595 HydrophobicContact CH2-CZ 4.08Å; W513-F595 HydrophobicContact CZ2-CE1 4.45Å; W513-F595 HydrophobicContact CZ3-CD1 4.49Å; W513-L839 HydrophobicContact CZ2-CD1 4.4Å; W513-L839 HydrophobicContact CZ2-CD2 4.43Å; W513-N852 PolarHBondContact NE1-OD1 3.17Å; W513-C855 HydrophobicContact CH2-CB 4.23Å; W513-C855 HydrophobicContact CZ2-CB 3.66Å; W513-I856 VanDerWaalsContact CD1-CG1 3.43Å; W513-I856 HydrophobicContact CD2-CG1 4.14Å; W513-I856 HydrophobicContact CG-CD1 4.34Å; W513-I856 HydrophobicContact CG-CG1 3.87Å; W513-V859 HydrophobicContact CE3-CG2 4.45Å; W513-V859 HydrophobicContact CH2-CG2 3.98Å; W513-V859 HydrophobicContact CZ3-CG2 3.68Å
514	A	97	Very high	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-34.9	179	0	0	0	0	0	111.9	M352 L400 L510 R511 N518 I521	M352-A514 HydrophobicContact CE-CB 4.42Å; M352-A514 HydrophobicContact SD-CB 3.78Å; L400-A514 HydrophobicContact CB-CB 4.45Å; L510-A514 WeakPolarHBondContact O-CB 3.44Å; L510-A514 PolarHBondContact O-N 3.4Å; R511-A514 PolarHBondContact O-N 3.4Å; A514-N518 PolarHBondContact O-N 2.83Å; A514-I521 HydrophobicContact CB-CD1 3.8Å; A514-I521 HydrophobicContact CB-CG1 4.14Å
515	E	95.3	Very high	95.1	Very high	76 Å²	76	18.1 Å²	18.1	36%	0.355	9%	0.092	S	C	.	.	H	α-helix	trans	-70.6	-51.2	172.4	-179.1	167.2	-116.2	0	0	112.3	P350 R402 R511 I512 W513 N518	P350-E515 HydrophobicContact CB-CB 4.28Å; P350-E515 WeakPolarHBondContact CB-OE2 3.33Å; P350-E515 HydrophobicContact CG-CB 4.41Å; P350-E515 WeakPolarHBondContact CG-OE2 3.38Å; R402-E515 HydrophobicContact CG-CB 4.39Å; R402-E515 HydrophobicContact CG-CG 4.41Å; R402-E515 IonicContact CZ-OE1 3.76Å; R402-E515 IonicContact NE-OE1 3.67Å; R402-E515 PolarHBondContact NE-OE1 2.81Å; R402-E515 IonicContact NH2-OE1 2.65Å; R511-E515 PolarHBondContact O-N 3.47Å; R511-E515 VanDerWaalsContact O-N 3.12Å; I512-E515 PolarHBondContact O-N 2.84Å; W513-E515 PolarHBondContact O-N 3.32Å; E515-N518 PolarHBondContact O-N 2.83Å
516	Q	96.9	Very high	95.7	Very high	73 Å²	73	17.4 Å²	17.4	34%	0.341	9%	0.086	S	C	.	.	H	α-helix	trans	-79.1	-30.7	-172	-68.6	-169.8	36.9	0	0	114.7	I512 W513 N518 I856 K860	I512-Q516 HydrophobicContact CG2-CG 4.43Å; I512-Q516 WeakPolarHBondContact O-CB 3.3Å; I512-Q516 WeakPolarHBondContact O-CG 3.45Å; I512-Q516 PolarHBondContact O-N 3.48Å; W513-Q516 PolarHBondContact O-N 2.83Å; Q516-N518 VanDerWaalsContact C-N 3.35Å; Q516-I856 HydrophobicContact CB-CD1 4.34Å; Q516-I856 HydrophobicContact CB-CG2 3.86Å; Q516-I856 HydrophobicContact CG-CD1 4.43Å; Q516-K860 VanDerWaalsContact O-CE 3.31Å; Q516-K860 WeakPolarHBondContact O-CE 3.32Å
517	L	97.5	Very high	96.1	Very high	15 Å²	15	18.8 Å²	18.8	8%	0.079	10%	0.096	C	C	.	.	S	Bend	trans	-81.3	-20.6	173.1	-60.1	175	0	0	0	111.4	L490 W513 C519 I856 V859 K860 F863	L490-L517 HydrophobicContact CD2-CD1 4Å; W513-L517 HydrophobicContact CB-CD1 4.04Å; W513-L517 HydrophobicContact CE3-CD1 4.08Å; W513-L517 WeakPolarHBondContact O-CB 3.26Å; W513-L517 VanDerWaalsContact O-CG 3.28Å; W513-L517 WeakPolarHBondContact O-CG 3.39Å; W513-L517 PolarHBondContact O-N 3.2Å; L517-C519 PolarHBondContact O-N 2.84Å; L517-I856 HydrophobicContact CD2-CG2 3.96Å; L517-I856 HydrophobicContact CG-CG2 4.43Å; L517-V859 HydrophobicContact CD1-CG1 3.73Å; L517-V859 HydrophobicContact CD2-CB 4.23Å; L517-V859 HydrophobicContact CD2-CG1 3.94Å; L517-K860 HydrophobicContact CD2-CG 3.54Å; L517-F863 HydrophobicContact CD1-CE2 4.41Å
518	N	95.8	Very high	96.4	Very high	79 Å²	79	20.1 Å²	20.1	42%	0.422	10%	0.103	S	C	.	.			trans	50.8	43.3	-178	-172.3	20.3	0	0	0	112.6	H403 R405 A514 E515 Q516	H403-N518 PolarHBondContact CD2-OD1 3.13Å; R405-N518 PolarHBondContact NH2-O 3.17Å; R405-N518 PolarHBondContact NH2-OD1 3.35Å; A514-N518 PolarHBondContact O-N 2.83Å; E515-N518 PolarHBondContact O-N 2.83Å; Q516-N518 VanDerWaalsContact C-N 3.35Å
519	C	96.8	Very high	96.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-135.4	155.6	177.5	70.7	0	0	0	0	110.8	Y488 L517 I521	Y488-C519 WeakPolarHBondContact O-CB 3.34Å; L517-C519 PolarHBondContact O-N 2.84Å; C519-I521 PolarHBondContact O-N 2.7Å
520	P	98	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.			trans	-59.4	130	167.4	-27.1	39.5	0	0	0	111	I399 S486 L490 I522 L555 C557	I399-P520 HydrophobicContact CD1-CB 4.45Å; S486-P520 VanDerWaalsContact CB-CD 3.47Å; L490-P520 PolarHBondContact N-O 2.84Å; P520-I522 HydrophobicContact CB-CD1 4.36Å; P520-L555 WeakPolarHBondContact CG-O 3.31Å; P520-C557 VanDerWaalsContact CG-SG 3.54Å
521	I	98.6	Very high	96.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.8	168.7	-55.6	-174.3	0	0	0	107.3	I399 L400 L490 L510 W513 A514 C519	I399-I521 WeakPolarHBondContact CA-O 3.32Å; L400-I521 HydrophobicContact CB-CB 4.34Å; L400-I521 PolarHBondContact N-O 2.62Å; L400-I521 PolarHBondContact O-N 3.05Å; L490-I521 HydrophobicContact CB-CG1 4.1Å; L490-I521 HydrophobicContact CB-CG2 4.46Å; L490-I521 HydrophobicContact CD2-CD1 3.94Å; L490-I521 HydrophobicContact CD2-CG1 4.06Å; L490-I521 HydrophobicContact CD2-CG2 4.22Å; L490-I521 CarbonylContact O-C 3.5Å; L490-I521 WeakPolarHBondContact O-CA 3.42Å; L510-I521 HydrophobicContact CD2-CD1 4.39Å; L510-I521 HydrophobicContact CD2-CG2 4.35Å; L510-I521 WeakPolarHBondContact O-CD1 3.24Å; W513-I521 HydrophobicContact CB-CD1 3.77Å; A514-I521 HydrophobicContact CB-CD1 3.8Å; A514-I521 HydrophobicContact CB-CG1 4.14Å; C519-I521 PolarHBondContact O-N 2.7Å
522	I	98.4	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.6	176.6	-47.2	-55.6	0	0	0	107.1	M397 R398 I399 I489 L490 F491 Y492 P520 I548 L555	M397-I522 HydrophobicContact CE-CG2 3.29Å; R398-I522 CarbonylContact O-C 3.2Å; R398-I522 WeakPolarHBondContact O-CA 3.43Å; I399-I522 HydrophobicContact CB-CD1 3.95Å; I399-I522 HydrophobicContact CD1-CD1 3.43Å; I399-I522 VanDerWaalsContact CD1-CD1 3.43Å; I399-I522 HydrophobicContact CG1-CD1 3.58Å; I489-I522 HydrophobicContact CG2-CG1 3.92Å; L490-I522 PolarHBondContact O-N 3.02Å; F491-I522 CarbonylContact C-O 3.5Å; F491-I522 WeakPolarHBondContact CA-O 3.49Å; F491-I522 WeakPolarHBondContact CD2-O 3.24Å; Y492-I522 PolarHBondContact N-O 3Å; P520-I522 HydrophobicContact CB-CD1 4.36Å; I522-I548 HydrophobicContact CB-CD1 3.95Å; I522-I548 HydrophobicContact CG1-CD1 4.49Å; I522-I548 HydrophobicContact CG2-CD1 3.63Å; I522-I548 HydrophobicContact CG2-CG1 4.02Å; I522-L555 HydrophobicContact CD1-CB 4.46Å; I522-L555 HydrophobicContact CD1-CD1 4.33Å; I522-L555 HydrophobicContact CD1-CD2 3.92Å; I522-L555 HydrophobicContact CD1-CG 4.47Å; I522-L555 HydrophobicContact CG1-CD1 4.25Å
523	A	98.4	Very high	96.5	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.3	-180	0	0	0	0	0	110.7	M397 R398 Y492	M397-A523 CarbonylContact C-O 3.6Å; M397-A523 WeakPolarHBondContact CA-O 3.13Å; R398-A523 HydrophobicContact CB-CB 4.48Å; R398-A523 PolarHBondContact N-O 3.44Å; R398-A523 PolarHBondContact O-N 3.16Å; Y492-A523 HydrophobicContact CD1-CB 4.06Å; Y492-A523 VanDerWaalsContact O-CA 3.3Å; Y492-A523 WeakPolarHBondContact O-CA 3.49Å
524	V	98.2	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.8	178.9	58.8	0	0	0	0	110.6	L395 M397 F491 Y492 V493 H494 Y526 A544	L395-V524 HydrophobicContact CD1-CG2 3.9Å; L395-V524 HydrophobicContact CD2-CG2 4.04Å; L395-V524 HydrophobicContact CG-CG2 4.14Å; M397-V524 HydrophobicContact CE-CB 4.44Å; M397-V524 HydrophobicContact SD-CB 3.9Å; M397-V524 HydrophobicContact SD-CG2 3.91Å; F491-V524 HydrophobicContact CE2-CB 3.95Å; F491-V524 HydrophobicContact CE2-CG1 3.9Å; F491-V524 HydrophobicContact CZ-CB 4.17Å; F491-V524 HydrophobicContact CZ-CG1 3.85Å; Y492-V524 PolarHBondContact O-N 2.95Å; V493-V524 HydrophobicContact CB-CG1 4.44Å; V493-V524 HydrophobicContact CG1-CG1 4.16Å; V493-V524 HydrophobicContact CG2-CG1 4.06Å; H494-V524 PolarHBondContact CD2-O 3.42Å; H494-V524 VanDerWaalsContact CD2-O 3.29Å; V524-Y526 HydrophobicContact CG1-CD1 4.37Å; V524-A544 HydrophobicContact CB-CB 4.34Å; V524-A544 HydrophobicContact CG2-CB 4.11Å
525	D	97	Very high	96.2	Very high	24 Å²	24	27.1 Å²	27.1	13%	0.128	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	78.4	168.5	-67.2	-41.7	0	0	0	108.3	G396 S503	G396-D525 PolarHBondContact O-N 3.13Å; S503-D525 WeakPolarHBondContact CB-OD1 3.44Å; S503-D525 PolarHBondContact N-OD1 3.17Å; S503-D525 VanDerWaalsContact OG-CG 3.3Å; S503-D525 PolarHBondContact OG-OD1 2.94Å; S503-D525 PolarHBondContact OG-OD2 3.28Å
526	Y	97.8	Very high	96.3	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.027	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-70.7	156.8	-179.2	62.7	-98.6	0	0	0	111.6	V493 H494 V524 L528 A537 L574	V493-Y526 HydrophobicContact CG1-CD1 3.89Å; V493-Y526 HydrophobicContact CG1-CE1 3.76Å; H494-Y526 AromaticContact CD2-CE1 3.79Å; H494-Y526 AromaticContact CE1-CE1 3.53Å; H494-Y526 AromaticContact CE1-CZ 3.5Å; H494-Y526 VanDerWaalsContact CE1-CZ 3.5Å; H494-Y526 PolarHBondContact CE1-OH 3.33Å; H494-Y526 AromaticContact CG-CE1 3.98Å; H494-Y526 AromaticContact ND1-CE1 3.82Å; H494-Y526 AromaticContact ND1-CZ 3.87Å; H494-Y526 AromaticContact NE2-CD1 3.84Å; H494-Y526 AromaticContact NE2-CE1 3.52Å; H494-Y526 AromaticContact NE2-CZ 3.92Å; H494-Y526 WeakPolarHBondContact O-CE1 3.25Å; H494-Y526 PolarHBondContact O-OH 3Å; V524-Y526 HydrophobicContact CG1-CD1 4.37Å; Y526-L528 HydrophobicContact CD2-CD2 4.27Å; Y526-L528 HydrophobicContact CE2-CD2 3.78Å; Y526-A537 HydrophobicContact CD2-CB 3.55Å; Y526-A537 HydrophobicContact CE2-CB 4.25Å; Y526-A537 HydrophobicContact CG-CB 4.07Å; Y526-L574 HydrophobicContact CD1-CD1 3.91Å; Y526-L574 HydrophobicContact CD2-CD1 4.12Å; Y526-L574 HydrophobicContact CE1-CD1 3.71Å; Y526-L574 HydrophobicContact CE2-CD1 3.94Å; Y526-L574 HydrophobicContact CG-CD1 4.12Å
527	S	97.1	Very high	96.3	Very high	31 Å²	31	20 Å²	20	22%	0.217	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-68.2	134.5	179.3	-62.2	0	0	0	0	111	E540	S527-E540 WeakPolarHBondContact CB-OE2 3.47Å; S527-E540 PolarHBondContact N-OE2 2.93Å; S527-E540 VanDerWaalsContact OG-CD 3.28Å; S527-E540 PolarHBondContact OG-OE1 3.14Å; S527-E540 PolarHBondContact OG-OE2 3.46Å
528	L	96.2	Very high	96.3	Very high	37 Å²	37	19.5 Å²	19.5	19%	0.194	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-92.4	145.4	-172.1	-58.4	175.4	0	0	0	112.3	F498 Y526 E531 A532	F498-L528 WeakPolarHBondContact O-CA 3.17Å; Y526-L528 HydrophobicContact CD2-CD2 4.27Å; Y526-L528 HydrophobicContact CE2-CD2 3.78Å; L528-E531 PolarHBondContact O-N 2.87Å; L528-A532 WeakPolarHBondContact O-CB 3.37Å; L528-A532 PolarHBondContact O-N 2.9Å
529	S	95.2	Very high	96.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	155.7	171.7	-55.9	0	0	0	0	111.5	F498 I499 A532 A631	F498-S529 PolarHBondContact O-N 3.12Å; I499-S529 VanDerWaalsContact CA-O 3.3Å; I499-S529 WeakPolarHBondContact CA-O 3.48Å; I499-S529 WeakPolarHBondContact CB-O 3.36Å; I499-S529 WeakPolarHBondContact CG2-O 3.4Å; S529-A532 PolarHBondContact OG-O 3.01Å; S529-A631 WeakPolarHBondContact CB-O 3.47Å
530	P	92.6	Very high	96.4	Very high	48 Å²	48	17.5 Å²	17.5	31%	0.312	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.9	-4	1.3	34.4	-37.1	0	0	0	114.5	V326 A532 P533 A631	V326-P530 HydrophobicContact CG1-CG 4.26Å; P530-A532 PolarHBondContact O-N 3.4Å; P530-P533 WeakPolarHBondContact O-CD 3.37Å; P530-A631 HydrophobicContact CB-CB 3.99Å
531	E	92.8	Very high	96.4	Very high	101 Å²	101	17.5 Å²	17.5	47%	0.472	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31	-178.7	-60.7	86.4	167	0	0	112.4	K330 L528	K330-E531 IonicContact NZ-OE1 3.93Å; K330-E531 PolarHBondContact NZ-OE1 2.74Å; K330-E531 IonicContact NZ-OE2 3.19Å; K330-E531 PolarHBondContact NZ-OE2 2.71Å; L528-E531 PolarHBondContact O-N 2.87Å
532	A	94.8	Very high	96.4	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	9%	0.094	C	C	.	.	S	Bend	trans	-127.8	83.2	173.7	0	0	0	0	0	110	F390 L528 S529 P530 R536	F390-A532 HydrophobicContact CE1-CB 3.73Å; F390-A532 HydrophobicContact CZ-CB 4.11Å; L528-A532 WeakPolarHBondContact O-CB 3.37Å; L528-A532 PolarHBondContact O-N 2.9Å; S529-A532 PolarHBondContact OG-O 3.01Å; P530-A532 PolarHBondContact O-N 3.4Å; A532-R536 HydrophobicContact CB-CB 4.12Å; A532-R536 HydrophobicContact CB-CG 3.8Å
533	P	94.6	Very high	96.4	Very high	16 Å²	16	17.8 Å²	17.8	10%	0.104	10%	0.096	C	C	.	.			trans	-73.1	173.5	177.7	26.2	-25.8	0	0	0	111.6	H389 P530 R536	H389-P533 PolarHBondContact CD2-O 3.27Å; H389-P533 VanDerWaalsContact CD2-O 3.25Å; H389-P533 PolarHBondContact NE2-O 2.91Å; H389-P533 VanDerWaalsContact NE2-O 3.1Å; P530-P533 WeakPolarHBondContact O-CD 3.37Å; P533-R536 VanDerWaalsContact O-CB 3.29Å; P533-R536 WeakPolarHBondContact O-CB 3.48Å; P533-R536 PolarHBondContact O-N 3.42Å
534	Y	94.6	Very high	96.4	Very high	29 Å²	29	17.6 Å²	17.6	11%	0.114	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	139.6	172.9	178.8	-89.1	0	0	0	111	F214 H389 L538 Y632 F781 M782	F214-Y534 HydrophobicContact CE1-CD1 4.41Å; F214-Y534 AromaticContact CE1-CE1 3.77Å; F214-Y534 HydrophobicContact CE1-CE1 3.77Å; F214-Y534 HydrophobicContact CZ-CE1 4.21Å; H389-Y534 PolarHBondContact NE2-O 3.14Å; Y534-L538 HydrophobicContact CE2-CD2 4.11Å; Y534-Y632 VanDerWaalsContact CB-O 3.24Å; Y534-Y632 WeakPolarHBondContact CB-O 3.23Å; Y534-Y632 HydrophobicContact CD2-CE1 4.08Å; Y534-Y632 HydrophobicContact CD2-CE2 4.42Å; Y534-Y632 AromaticContact CD2-CZ 3.74Å; Y534-Y632 WeakPolarHBondContact CD2-OH 3.29Å; Y534-Y632 PolarHBondContact N-O 3.43Å; Y534-F781 HydrophobicContact CE2-CB 4.44Å; Y534-F781 WeakPolarHBondContact OH-CB 3.49Å; Y534-M782 HydrophobicContact CD2-CB 4.07Å; Y534-M782 HydrophobicContact CD2-CG 4Å; Y534-M782 HydrophobicContact CE2-CB 3.75Å; Y534-M782 HydrophobicContact CE2-CG 4.22Å; Y534-M782 HydrophobicContact CG-CG 4.36Å; Y534-M782 HydrophobicContact CG-SD 4.31Å
535	P	94.4	Very high	96.4	Very high	27 Å²	27	17.6 Å²	17.6	18%	0.175	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.3	16.1	3.6	37	-36.3	0	0	0	115	A537 L538 E539	P535-A537 PolarHBondContact O-N 3.36Å; P535-L538 WeakPolarHBondContact O-CB 3.45Å; P535-L538 PolarHBondContact O-N 3.42Å; P535-L538 VanDerWaalsContact O-N 3.12Å; P535-E539 HydrophobicContact CB-CG 4.49Å; P535-E539 HydrophobicContact CG-CG 4.49Å; P535-E539 PolarHBondContact O-N 3.34Å
536	R	96	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.8	-51.5	-165.9	179.1	55.9	179.5	-112.9	2.6	114.5	S388 F390 G391 A532 P533 L538 E539 E540	S388-R536 PolarHBondContact O-NH1 3.49Å; F390-R536 HydrophobicContact CE1-CG 4.33Å; F390-R536 VanDerWaalsContact CE2-CZ 3.41Å; F390-R536 VanDerWaalsContact CE2-NH2 3.32Å; F390-R536 HydrophobicContact CZ-CG 4.32Å; F390-R536 VanDerWaalsContact CZ-NH1 3.29Å; G391-R536 PolarHBondContact O-NH1 2.98Å; A532-R536 HydrophobicContact CB-CB 4.12Å; A532-R536 HydrophobicContact CB-CG 3.8Å; P533-R536 VanDerWaalsContact O-CB 3.29Å; P533-R536 WeakPolarHBondContact O-CB 3.48Å; P533-R536 PolarHBondContact O-N 3.42Å; R536-L538 VanDerWaalsContact C-N 3.27Å; R536-L538 PolarHBondContact O-N 2.92Å; R536-E539 WeakPolarHBondContact O-CB 3.29Å; R536-E539 PolarHBondContact O-N 3.2Å; R536-E540 IonicContact CZ-OE1 3.2Å; R536-E540 VanDerWaalsContact NE-CD 3.34Å; R536-E540 IonicContact NE-OE1 2.99Å; R536-E540 PolarHBondContact NE-OE1 3.37Å; R536-E540 IonicContact NH2-OE1 3.68Å; R536-E540 PolarHBondContact NH2-OE1 3.05Å; R536-E540 PolarHBondContact O-N 3.01Å
537	A	97.6	Very high	96.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-37.1	179.7	0	0	0	0	0	112.5	Y526 P535 E540 C541 L574	Y526-A537 HydrophobicContact CD2-CB 3.55Å; Y526-A537 HydrophobicContact CE2-CB 4.25Å; Y526-A537 HydrophobicContact CG-CB 4.07Å; P535-A537 PolarHBondContact O-N 3.36Å; A537-E540 PolarHBondContact O-N 3.46Å; A537-C541 PolarHBondContact O-N 3.4Å; A537-C541 PolarHBondContact O-SG 3.21Å; A537-L574 HydrophobicContact CB-CD1 3.99Å; A537-L574 HydrophobicContact CB-CD2 4.02Å
538	L	97.3	Very high	96.4	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-68.2	-42.6	177.2	174.3	62.9	0	0	0	111.7	Y534 P535 R536 E540 C541 Y542 L574 V578 F781	Y534-L538 HydrophobicContact CE2-CD2 4.11Å; P535-L538 WeakPolarHBondContact O-CB 3.45Å; P535-L538 PolarHBondContact O-N 3.42Å; P535-L538 VanDerWaalsContact O-N 3.12Å; R536-L538 VanDerWaalsContact C-N 3.27Å; R536-L538 PolarHBondContact O-N 2.92Å; L538-E540 VanDerWaalsContact C-N 3.29Å; L538-E540 PolarHBondContact O-N 2.93Å; L538-C541 PolarHBondContact O-N 3.15Å; L538-Y542 WeakPolarHBondContact O-CB 3.32Å; L538-Y542 PolarHBondContact O-N 2.93Å; L538-L574 HydrophobicContact CB-CD2 4.06Å; L538-V578 HydrophobicContact CD1-CG2 4.25Å; L538-F781 HydrophobicContact CD2-CB 3.63Å; L538-F781 HydrophobicContact CD2-CD1 4.18Å; L538-F781 HydrophobicContact CD2-CG 3.96Å
539	E	96.9	Very high	96.5	Very high	33 Å²	33	13.9 Å²	13.9	15%	0.154	7%	0.072	C	C	.	.	H	α-helix	trans	-57.5	-44.5	173.7	-69.6	175.4	171.6	0	0	111.6	P386 K387 S388 P535 R536 Y542 Y543	P386-E539 HydrophobicContact CB-CB 3.8Å; P386-E539 HydrophobicContact CG-CB 4.12Å; K387-E539 PolarHBondContact N-OE2 3.39Å; S388-E539 WeakPolarHBondContact CB-OE2 3.38Å; S388-E539 PolarHBondContact N-OE2 3Å; S388-E539 VanDerWaalsContact OG-CD 3.26Å; S388-E539 PolarHBondContact OG-OE1 2.96Å; S388-E539 PolarHBondContact OG-OE2 3.1Å; P535-E539 HydrophobicContact CB-CG 4.49Å; P535-E539 HydrophobicContact CG-CG 4.49Å; P535-E539 PolarHBondContact O-N 3.34Å; R536-E539 WeakPolarHBondContact O-CB 3.29Å; R536-E539 PolarHBondContact O-N 3.2Å; E539-Y542 PolarHBondContact O-N 2.84Å; E539-Y543 VanDerWaalsContact O-CB 3.29Å; E539-Y543 WeakPolarHBondContact O-CB 3.37Å; E539-Y543 PolarHBondContact O-N 2.97Å
540	E	98.1	Very high	96.5	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.019	8%	0.084	C	C	.	.	H	α-helix	trans	-65.6	-45.8	178.7	-75.4	173.5	160.7	0	0	112.6	P386 L395 S527 R536 A537 L538 Y542 Y543 A544	P386-E540 HydrophobicContact CB-CG 3.72Å; P386-E540 HydrophobicContact CG-CB 4.33Å; P386-E540 HydrophobicContact CG-CG 3.68Å; L395-E540 HydrophobicContact CD1-CB 3.75Å; L395-E540 HydrophobicContact CD1-CG 3.89Å; L395-E540 HydrophobicContact CD2-CB 3.91Å; L395-E540 HydrophobicContact CD2-CG 4.36Å; L395-E540 WeakPolarHBondContact CD2-O 3.44Å; L395-E540 HydrophobicContact CG-CB 4.48Å; S527-E540 WeakPolarHBondContact CB-OE2 3.47Å; S527-E540 PolarHBondContact N-OE2 2.93Å; S527-E540 VanDerWaalsContact OG-CD 3.28Å; S527-E540 PolarHBondContact OG-OE1 3.14Å; S527-E540 PolarHBondContact OG-OE2 3.46Å; R536-E540 IonicContact CZ-OE1 3.2Å; R536-E540 VanDerWaalsContact NE-CD 3.34Å; R536-E540 IonicContact NE-OE1 2.99Å; R536-E540 PolarHBondContact NE-OE1 3.37Å; R536-E540 IonicContact NH2-OE1 3.68Å; R536-E540 PolarHBondContact NH2-OE1 3.05Å; R536-E540 PolarHBondContact O-N 3.01Å; A537-E540 PolarHBondContact O-N 3.46Å; L538-E540 VanDerWaalsContact C-N 3.29Å; L538-E540 PolarHBondContact O-N 2.93Å; E540-Y542 VanDerWaalsContact C-N 3.3Å; E540-Y542 PolarHBondContact O-N 3.5Å; E540-Y543 PolarHBondContact O-N 2.92Å; E540-A544 WeakPolarHBondContact O-CB 3.03Å; E540-A544 PolarHBondContact O-N 2.63Å
541	C	98.5	Very high	96.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-40.5	176.3	-65.7	0	0	0	0	111.7	F491 A537 L538 Y545 V578	F491-C541 WeakPolarHBondContact CE1-O 3.25Å; A537-C541 PolarHBondContact O-N 3.4Å; A537-C541 PolarHBondContact O-SG 3.21Å; L538-C541 PolarHBondContact O-N 3.15Å; C541-Y545 PolarHBondContact O-N 3.03Å; C541-V578 HydrophobicContact CB-CG2 3.59Å
542	Y	98.2	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.1	-43.2	177	-178.1	-110.9	0	0	0	112.4	I383 L538 E539 E540 A544 Y545 C546 V578 R581 A582 D585 L587	I383-Y542 HydrophobicContact CD1-CE1 3.87Å; I383-Y542 HydrophobicContact CG1-CE1 4.36Å; I383-Y542 HydrophobicContact CG2-CD1 4.32Å; I383-Y542 HydrophobicContact CG2-CE1 4.18Å; L538-Y542 WeakPolarHBondContact O-CB 3.32Å; L538-Y542 PolarHBondContact O-N 2.93Å; E539-Y542 PolarHBondContact O-N 2.84Å; E540-Y542 VanDerWaalsContact C-N 3.3Å; E540-Y542 PolarHBondContact O-N 3.5Å; Y542-A544 VanDerWaalsContact C-N 3.34Å; Y542-A544 PolarHBondContact O-N 2.72Å; Y542-Y545 WeakPolarHBondContact O-CB 3.26Å; Y542-Y545 PolarHBondContact O-N 2.76Å; Y542-C546 PolarHBondContact O-N 2.91Å; Y542-C546 PolarHBondContact O-SG 3.43Å; Y542-V578 HydrophobicContact CD2-CG1 4.21Å; Y542-R581 HydrophobicContact CD1-CG 4.12Å; Y542-R581 HydrophobicContact CD2-CB 3.78Å; Y542-R581 HydrophobicContact CD2-CG 3.79Å; Y542-R581 HydrophobicContact CE1-CG 3.94Å; Y542-R581 VanDerWaalsContact CE1-NE 3.28Å; Y542-R581 HydrophobicContact CE2-CB 3.84Å; Y542-R581 HydrophobicContact CE2-CG 3.68Å; Y542-R581 HydrophobicContact CG-CB 4.35Å; Y542-R581 VanDerWaalsContact CG-CD 3.47Å; Y542-R581 HydrophobicContact CG-CG 4.01Å; Y542-A582 HydrophobicContact CE2-CB 4.44Å; Y542-D585 WeakPolarHBondContact CE1-OD2 3.32Å; Y542-D585 VanDerWaalsContact CZ-OD2 3.26Å; Y542-D585 VanDerWaalsContact OH-CB 3.3Å; Y542-D585 WeakPolarHBondContact OH-CB 3.34Å; Y542-D585 VanDerWaalsContact OH-CG 3.31Å; Y542-D585 PolarHBondContact OH-OD2 3.4Å; Y542-L587 HydrophobicContact CE2-CD1 4Å
543	Y	97.9	Very high	96.8	Very high	6 Å²	6	15.6 Å²	15.6	2%	0.024	8%	0.076	C	C	.	.	H	α-helix	trans	-60.5	-43.8	175.3	179.7	-94.4	0	0	0	111.6	L360 Q361 K363 L365 I383 P385 P386 L395 E539 E540 C546 W547	L360-Y543 HydrophobicContact CB-CE1 4.16Å; L360-Y543 HydrophobicContact CD1-CD1 4.21Å; L360-Y543 HydrophobicContact CD1-CE1 4.06Å; Q361-Y543 PolarHBondContact O-OH 3.25Å; K363-Y543 PolarHBondContact N-OH 3.01Å; K363-Y543 VanDerWaalsContact O-CE2 3.29Å; K363-Y543 WeakPolarHBondContact O-CE2 3.45Å; K363-Y543 PolarHBondContact O-OH 3.2Å; L365-Y543 HydrophobicContact CD1-CD2 3.82Å; L365-Y543 HydrophobicContact CD1-CE2 3.61Å; L365-Y543 HydrophobicContact CD1-CG 4.39Å; L365-Y543 HydrophobicContact CD2-CE2 4.36Å; L365-Y543 HydrophobicContact CG-CD2 4.28Å; L365-Y543 HydrophobicContact CG-CE2 3.65Å; I383-Y543 HydrophobicContact CG2-CD2 4.21Å; P385-Y543 HydrophobicContact CB-CE2 4.29Å; P386-Y543 HydrophobicContact CG-CG 4.16Å; L395-Y543 HydrophobicContact CD2-CD1 4.16Å; E539-Y543 VanDerWaalsContact O-CB 3.29Å; E539-Y543 WeakPolarHBondContact O-CB 3.37Å; E539-Y543 PolarHBondContact O-N 2.97Å; E540-Y543 PolarHBondContact O-N 2.92Å; Y543-C546 PolarHBondContact O-N 3.39Å; Y543-W547 WeakPolarHBondContact O-CB 3.24Å; Y543-W547 PolarHBondContact O-N 2.97Å
544	A	98.2	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-45.1	174	0	0	0	0	0	111.9	L360 L395 M397 F491 V524 E540 Y542 W547 I548	L360-A544 HydrophobicContact CD1-CB 4.5Å; L395-A544 HydrophobicContact CD2-CB 3.93Å; M397-A544 HydrophobicContact CE-CB 4.01Å; M397-A544 HydrophobicContact SD-CB 3.64Å; F491-A544 HydrophobicContact CE2-CB 4.18Å; F491-A544 HydrophobicContact CZ-CB 3.85Å; V524-A544 HydrophobicContact CB-CB 4.34Å; V524-A544 HydrophobicContact CG2-CB 4.11Å; E540-A544 WeakPolarHBondContact O-CB 3.03Å; E540-A544 PolarHBondContact O-N 2.63Å; Y542-A544 VanDerWaalsContact C-N 3.34Å; Y542-A544 PolarHBondContact O-N 2.72Å; A544-W547 PolarHBondContact O-N 2.94Å; A544-I548 VanDerWaalsContact O-CG1 3.25Å; A544-I548 WeakPolarHBondContact O-CG1 3.35Å; A544-I548 PolarHBondContact O-N 2.89Å
545	Y	98.5	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.8	-52.1	175.8	177.1	-101.8	0	0	0	111.9	F491 C541 Y542 W547 I548 T549 I563 L565 V578 A582 L587 N589 K590 P591	F491-Y545 AromaticContact CD1-CD2 3.92Å; F491-Y545 HydrophobicContact CD1-CD2 3.92Å; F491-Y545 HydrophobicContact CE1-CD2 4.47Å; C541-Y545 PolarHBondContact O-N 3.03Å; Y542-Y545 WeakPolarHBondContact O-CB 3.26Å; Y542-Y545 PolarHBondContact O-N 2.76Å; Y545-W547 VanDerWaalsContact C-N 3.28Å; Y545-W547 PolarHBondContact O-N 2.88Å; Y545-I548 WeakPolarHBondContact O-CB 3.26Å; Y545-I548 PolarHBondContact O-N 3.12Å; Y545-T549 HydrophobicContact CD1-CG2 4.27Å; Y545-T549 HydrophobicContact CE1-CG2 3.71Å; Y545-T549 HydrophobicContact CE2-CG2 4.26Å; Y545-T549 WeakPolarHBondContact O-CG2 3.34Å; Y545-T549 PolarHBondContact O-N 3.42Å; Y545-I563 HydrophobicContact CD2-CG2 4.39Å; Y545-I563 HydrophobicContact CE2-CB 4.3Å; Y545-I563 HydrophobicContact CE2-CD1 4.22Å; Y545-I563 HydrophobicContact CE2-CG2 3.81Å; Y545-L565 HydrophobicContact CD2-CD1 3.68Å; Y545-L565 HydrophobicContact CE2-CD1 3.61Å; Y545-V578 HydrophobicContact CD1-CG1 4.21Å; Y545-V578 HydrophobicContact CD2-CG1 4.42Å; Y545-V578 HydrophobicContact CG-CG1 3.85Å; Y545-A582 HydrophobicContact CE1-CB 4.48Å; Y545-L587 HydrophobicContact CD1-CD1 4.28Å; Y545-L587 HydrophobicContact CE1-CD1 3.98Å; Y545-N589 PolarHBondContact OH-O 3.02Å; Y545-K590 PolarHBondContact OH-O 3.01Å; Y545-P591 HydrophobicContact CE1-CG 4.4Å; Y545-P591 HydrophobicContact CE2-CG 3.78Å; Y545-P591 VanDerWaalsContact OH-CD 3.25Å; Y545-P591 WeakPolarHBondContact OH-CD 3.34Å
546	C	97.9	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.1	-43.7	176.8	-72.8	0	0	0	0	111.5	L365 V367 Y542 Y543 I548 T549 L550	L365-C546 HydrophobicContact CD1-CB 3.91Å; V367-C546 HydrophobicContact CG2-CB 3.88Å; Y542-C546 PolarHBondContact O-N 2.91Å; Y542-C546 PolarHBondContact O-SG 3.43Å; Y543-C546 PolarHBondContact O-N 3.39Å; C546-I548 VanDerWaalsContact C-N 3.35Å; C546-I548 PolarHBondContact O-N 3.48Å; C546-T549 PolarHBondContact O-N 2.82Å; C546-T549 PolarHBondContact O-OG1 2.99Å; C546-L550 WeakPolarHBondContact O-CG 3.45Å; C546-L550 PolarHBondContact O-N 2.8Å
547	W	97	Very high	96.9	Very high	13 Å²	13	14.8 Å²	14.8	5%	0.049	7%	0.071	C	C	.	.	H	α-helix	trans	-61.5	-40.8	176.2	-176.6	88.3	0	0	0	112.6	F358 L360 L365 F420 Y543 A544 Y545 L550 N551 L555	F358-W547 AromaticContact CE2-CH2 3.82Å; F358-W547 HydrophobicContact CE2-CH2 3.82Å; F358-W547 HydrophobicContact CE2-CZ2 4.46Å; F358-W547 HydrophobicContact CE2-CZ3 4.01Å; F358-W547 HydrophobicContact CZ-CH2 4.11Å; F358-W547 HydrophobicContact CZ-CZ3 4.03Å; L360-W547 HydrophobicContact CD1-CB 3.97Å; L360-W547 HydrophobicContact CD1-CD2 4.05Å; L360-W547 HydrophobicContact CD1-CE3 4.3Å; L360-W547 HydrophobicContact CD1-CG 3.87Å; L360-W547 HydrophobicContact CD2-CD2 3.44Å; L360-W547 VanDerWaalsContact CD2-CD2 3.44Å; L360-W547 VanDerWaalsContact CD2-CE2 3.45Å; L360-W547 HydrophobicContact CD2-CE3 3.77Å; L360-W547 HydrophobicContact CD2-CG 3.92Å; L360-W547 HydrophobicContact CD2-CH2 4.15Å; L360-W547 HydrophobicContact CD2-CZ2 3.85Å; L360-W547 HydrophobicContact CD2-CZ3 4.09Å; L360-W547 HydrophobicContact CG-CD2 4.41Å; L365-W547 HydrophobicContact CD1-CB 3.95Å; F420-W547 HydrophobicContact CD1-CH2 4.45Å; F420-W547 AromaticContact CD1-CZ2 3.7Å; F420-W547 HydrophobicContact CD1-CZ2 3.7Å; F420-W547 AromaticContact CE1-CH2 3.66Å; F420-W547 HydrophobicContact CE1-CH2 3.66Å; F420-W547 AromaticContact CE1-CZ2 3.35Å; F420-W547 HydrophobicContact CE1-CZ2 3.35Å; F420-W547 HydrophobicContact CZ-CZ2 4.49Å; Y543-W547 WeakPolarHBondContact O-CB 3.24Å; Y543-W547 PolarHBondContact O-N 2.97Å; A544-W547 PolarHBondContact O-N 2.94Å; Y545-W547 VanDerWaalsContact C-N 3.28Å; Y545-W547 PolarHBondContact O-N 2.88Å; W547-L550 PolarHBondContact O-N 3.35Å; W547-N551 HydrophobicContact CD2-CB 4.39Å; W547-N551 HydrophobicContact CE3-CB 4.45Å; W547-N551 HydrophobicContact CH2-CB 3.97Å; W547-N551 HydrophobicContact CZ2-CB 3.88Å; W547-N551 HydrophobicContact CZ3-CB 4.27Å; W547-N551 PolarHBondContact NE1-ND2 3.33Å; W547-N551 WeakPolarHBondContact O-CB 3.3Å; W547-N551 PolarHBondContact O-N 2.99Å; W547-N551 VanDerWaalsContact O-N 3.16Å; W547-N551 PolarHBondContact O-ND2 3.35Å; W547-L555 HydrophobicContact CH2-CD2 3.99Å; W547-L555 HydrophobicContact CH2-CG 4.5Å; W547-L555 HydrophobicContact CZ3-CD1 4Å; W547-L555 HydrophobicContact CZ3-CD2 3.91Å; W547-L555 HydrophobicContact CZ3-CG 4.32Å
548	I	97.5	Very high	96.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-44.5	176	-68.7	162.8	0	0	0	110.9	M397 I489 F491 I522 A544 Y545 C546 L550 N551 R552 L555 I563	M397-I548 HydrophobicContact CE-CD1 4.27Å; I489-I548 HydrophobicContact CD1-CG2 4.12Å; I489-I548 HydrophobicContact CG2-CG2 4.1Å; F491-I548 HydrophobicContact CB-CD1 4.09Å; F491-I548 HydrophobicContact CD1-CD1 4.36Å; F491-I548 HydrophobicContact CD2-CD1 3.32Å; F491-I548 HydrophobicContact CE2-CD1 3.82Å; F491-I548 HydrophobicContact CG-CD1 3.67Å; F491-I548 HydrophobicContact CZ-CD1 4.5Å; I522-I548 HydrophobicContact CB-CD1 3.95Å; I522-I548 HydrophobicContact CG1-CD1 4.49Å; I522-I548 HydrophobicContact CG2-CD1 3.63Å; I522-I548 HydrophobicContact CG2-CG1 4.02Å; A544-I548 VanDerWaalsContact O-CG1 3.25Å; A544-I548 WeakPolarHBondContact O-CG1 3.35Å; A544-I548 PolarHBondContact O-N 2.89Å; Y545-I548 WeakPolarHBondContact O-CB 3.26Å; Y545-I548 PolarHBondContact O-N 3.12Å; C546-I548 VanDerWaalsContact C-N 3.35Å; C546-I548 PolarHBondContact O-N 3.48Å; I548-L550 PolarHBondContact O-N 2.85Å; I548-N551 PolarHBondContact O-N 2.78Å; I548-R552 WeakPolarHBondContact O-CG 3.47Å; I548-R552 PolarHBondContact O-N 2.92Å; I548-L555 HydrophobicContact CB-CD1 4.27Å; I548-L555 HydrophobicContact CG1-CD1 4.16Å; I548-L555 HydrophobicContact CG2-CD1 3.92Å; I548-I563 HydrophobicContact CG2-CD1 3.98Å
549	T	97.1	Very high	96.7	Very high	7 Å²	7	20 Å²	20	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-58.1	-34.1	179.1	67.6	0	0	0	0	112.4	Y545 C546 R552 I563 N589	Y545-T549 HydrophobicContact CD1-CG2 4.27Å; Y545-T549 HydrophobicContact CE1-CG2 3.71Å; Y545-T549 HydrophobicContact CE2-CG2 4.26Å; Y545-T549 WeakPolarHBondContact O-CG2 3.34Å; Y545-T549 PolarHBondContact O-N 3.42Å; C546-T549 PolarHBondContact O-N 2.82Å; C546-T549 PolarHBondContact O-OG1 2.99Å; T549-R552 PolarHBondContact O-NH1 3.15Å; T549-I563 HydrophobicContact CG2-CD1 3.79Å; T549-N589 HydrophobicContact CG2-CB 4.05Å
550	L	95.6	Very high	96.6	Very high	50 Å²	50	24.2 Å²	24.2	26%	0.262	13%	0.131	S	C	.	.	H	α-helix	trans	-83	-18.2	179.9	-63	175.1	0	0	0	113.6	L365 V367 C546 W547 I548	L365-L550 HydrophobicContact CB-CD1 4.04Å; L365-L550 HydrophobicContact CD2-CD1 4.48Å; V367-L550 HydrophobicContact CG2-CD1 4.19Å; C546-L550 WeakPolarHBondContact O-CG 3.45Å; C546-L550 PolarHBondContact O-N 2.8Å; W547-L550 PolarHBondContact O-N 3.35Å; I548-L550 PolarHBondContact O-N 2.85Å
551	N	95.2	Very high	96.6	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-121.1	15.8	-169	-73.2	-85.2	0	0	0	114.5	W547 I548 E553 N554 L555	W547-N551 HydrophobicContact CD2-CB 4.39Å; W547-N551 HydrophobicContact CE3-CB 4.45Å; W547-N551 HydrophobicContact CH2-CB 3.97Å; W547-N551 HydrophobicContact CZ2-CB 3.88Å; W547-N551 HydrophobicContact CZ3-CB 4.27Å; W547-N551 PolarHBondContact NE1-ND2 3.33Å; W547-N551 WeakPolarHBondContact O-CB 3.3Å; W547-N551 PolarHBondContact O-N 2.99Å; W547-N551 VanDerWaalsContact O-N 3.16Å; W547-N551 PolarHBondContact O-ND2 3.35Å; I548-N551 PolarHBondContact O-N 2.78Å; N551-E553 PolarHBondContact O-N 2.93Å; N551-N554 PolarHBondContact O-N 3.41Å; N551-L555 WeakPolarHBondContact O-CG 3.23Å; N551-L555 PolarHBondContact O-N 2.91Å; N551-L555 VanDerWaalsContact O-N 3.09Å
552	R	96.1	Very high	96.5	Very high	23 Å²	23	26.5 Å²	26.5	9%	0.087	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-46.3	-43.6	-176.9	-62.4	-176.9	177.4	107.8	-1.3	114	I489 I548 T549 L555 G556 C557 T558 S559 A561 N589	I489-R552 HydrophobicContact CD1-CB 4.07Å; I489-R552 HydrophobicContact CD1-CG 3.8Å; I548-R552 WeakPolarHBondContact O-CG 3.47Å; I548-R552 PolarHBondContact O-N 2.92Å; T549-R552 PolarHBondContact O-NH1 3.15Å; R552-L555 CarbonylContact O-C 3.48Å; R552-L555 WeakPolarHBondContact O-CA 3.29Å; R552-L555 WeakPolarHBondContact O-CB 3.25Å; R552-L555 PolarHBondContact O-N 2.85Å; R552-G556 PolarHBondContact O-N 3.19Å; R552-C557 HydrophobicContact CB-CB 4.37Å; R552-C557 WeakPolarHBondContact O-CA 3.45Å; R552-C557 WeakPolarHBondContact O-CB 3.41Å; R552-C557 PolarHBondContact O-N 3.21Å; R552-T558 WeakPolarHBondContact CB-O 3.18Å; R552-S559 VanDerWaalsContact CD-O 3.29Å; R552-S559 WeakPolarHBondContact CD-O 3.35Å; R552-S559 PolarHBondContact NH1-O 3.15Å; R552-S559 VanDerWaalsContact NH1-O 3.12Å; R552-A561 PolarHBondContact NE-O 3.43Å; R552-A561 VanDerWaalsContact NE-O 3.11Å; R552-N589 PolarHBondContact NH1-OD1 3.1Å; R552-N589 VanDerWaalsContact NH2-CG 3.31Å; R552-N589 PolarHBondContact NH2-OD1 3.23Å
553	E	94.9	Very high	96.5	Very high	98 Å²	98	26.6 Å²	26.6	46%	0.458	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-65.5	-41.1	-179.1	-60.5	-160.3	104.2	0	0	113	G407 K485 N551 L555 G556 C557	G407-E553 VanDerWaalsContact CA-O 3.27Å; G407-E553 WeakPolarHBondContact CA-O 3.25Å; K485-E553 IonicContact NZ-OE1 3.47Å; K485-E553 PolarHBondContact NZ-OE1 2.84Å; N551-E553 PolarHBondContact O-N 2.93Å; E553-L555 PolarHBondContact O-N 3.35Å; E553-G556 PolarHBondContact O-N 3.06Å; E553-G556 VanDerWaalsContact O-N 3.08Å; E553-C557 WeakPolarHBondContact CA-O 3.28Å
554	N	93.5	Very high	96.5	Very high	54 Å²	54	26.3 Å²	26.3	29%	0.289	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-71.9	-10.2	174.3	-64.3	-33.9	0	0	0	112.5	G407 W410 F419 N551 G556	G407-N554 CarbonylContact O-C 3.56Å; W410-N554 PolarHBondContact NE1-O 3.48Å; F419-N554 HydrophobicContact CD2-CB 4.43Å; F419-N554 HydrophobicContact CE1-CB 4.3Å; F419-N554 HydrophobicContact CE2-CB 3.98Å; F419-N554 HydrophobicContact CZ-CB 3.92Å; N551-N554 PolarHBondContact O-N 3.41Å; N554-G556 VanDerWaalsContact C-N 3.35Å
555	L	95.8	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-97.3	11.7	172.3	-60.8	172.8	0	0	0	112	I399 L408 P520 I522 W547 I548 N551 R552 E553	I399-L555 HydrophobicContact CD1-CD2 4.22Å; L408-L555 VanDerWaalsContact CD2-C 3.46Å; P520-L555 WeakPolarHBondContact CG-O 3.31Å; I522-L555 HydrophobicContact CD1-CB 4.46Å; I522-L555 HydrophobicContact CD1-CD1 4.33Å; I522-L555 HydrophobicContact CD1-CD2 3.92Å; I522-L555 HydrophobicContact CD1-CG 4.47Å; I522-L555 HydrophobicContact CG1-CD1 4.25Å; W547-L555 HydrophobicContact CH2-CD2 3.99Å; W547-L555 HydrophobicContact CH2-CG 4.5Å; W547-L555 HydrophobicContact CZ3-CD1 4Å; W547-L555 HydrophobicContact CZ3-CD2 3.91Å; W547-L555 HydrophobicContact CZ3-CG 4.32Å; I548-L555 HydrophobicContact CB-CD1 4.27Å; I548-L555 HydrophobicContact CG1-CD1 4.16Å; I548-L555 HydrophobicContact CG2-CD1 3.92Å; N551-L555 WeakPolarHBondContact O-CG 3.23Å; N551-L555 PolarHBondContact O-N 2.91Å; N551-L555 VanDerWaalsContact O-N 3.09Å; R552-L555 CarbonylContact O-C 3.48Å; R552-L555 WeakPolarHBondContact O-CA 3.29Å; R552-L555 WeakPolarHBondContact O-CB 3.25Å; R552-L555 PolarHBondContact O-N 2.85Å; E553-L555 PolarHBondContact O-N 3.35Å
556	G	95.7	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	22.2	178.1	0	0	0	0	0	113.8	R405 K485 S486 R552 E553 N554	R405-G556 WeakPolarHBondContact CD-O 3.48Å; K485-G556 WeakPolarHBondContact CA-O 3.27Å; S486-G556 PolarHBondContact N-O 3.43Å; R552-G556 PolarHBondContact O-N 3.19Å; E553-G556 PolarHBondContact O-N 3.06Å; E553-G556 VanDerWaalsContact O-N 3.08Å; N554-G556 VanDerWaalsContact C-N 3.35Å
557	C	97.4	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	166.2	-177.2	-57.1	0	0	0	0	112	K485 S486 I489 P520 R552 E553 A561	K485-C557 VanDerWaalsContact CD-O 3.26Å; K485-C557 WeakPolarHBondContact CD-O 3.35Å; S486-C557 CarbonylContact O-C 3.53Å; S486-C557 WeakPolarHBondContact O-CA 3.47Å; S486-C557 VanDerWaalsContact O-CB 3.26Å; S486-C557 WeakPolarHBondContact O-CB 3.5Å; I489-C557 HydrophobicContact CD1-CB 3.87Å; I489-C557 HydrophobicContact CG1-CB 3.88Å; I489-C557 WeakPolarHBondContact CG1-SG 3.5Å; P520-C557 VanDerWaalsContact CG-SG 3.54Å; R552-C557 HydrophobicContact CB-CB 4.37Å; R552-C557 WeakPolarHBondContact O-CA 3.45Å; R552-C557 WeakPolarHBondContact O-CB 3.41Å; R552-C557 PolarHBondContact O-N 3.21Å; E553-C557 WeakPolarHBondContact CA-O 3.28Å; C557-A561 HydrophobicContact CB-CB 3.67Å
558	T	96.5	Very high	96.7	Very high	37 Å²	37	25.9 Å²	25.9	23%	0.227	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	158	170	60.4	0	0	0	0	110.3	K485 S486 R552 D560 A561	K485-T558 HydrophobicContact CB-CG2 3.87Å; S486-T558 PolarHBondContact O-N 3.33Å; R552-T558 WeakPolarHBondContact CB-O 3.18Å; T558-D560 WeakPolarHBondContact CB-OD1 3.39Å; T558-D560 PolarHBondContact O-N 3.46Å; T558-D560 PolarHBondContact OG1-OD1 3.47Å; T558-A561 VanDerWaalsContact O-CB 3.23Å; T558-A561 WeakPolarHBondContact O-CB 3.27Å; T558-A561 PolarHBondContact O-N 2.94Å; T558-A561 VanDerWaalsContact O-N 3.12Å; T558-A561 PolarHBondContact OG1-N 3.03Å
559	S	94.4	Very high	96.6	Very high	78 Å²	78	26.4 Å²	26.4	55%	0.545	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	-24.7	-178.9	48.6	0	0	0	0	113.2	R552	R552-S559 VanDerWaalsContact CD-O 3.29Å; R552-S559 WeakPolarHBondContact CD-O 3.35Å; R552-S559 PolarHBondContact NH1-O 3.15Å; R552-S559 VanDerWaalsContact NH1-O 3.12Å
560	D	94.8	Very high	96.7	Very high	122 Å²	122	26.1 Å²	26.1	65%	0.652	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	10.5	176.3	65.7	-22.7	0	0	0	113.1	T558 K562	T558-D560 WeakPolarHBondContact CB-OD1 3.39Å; T558-D560 PolarHBondContact O-N 3.46Å; T558-D560 PolarHBondContact OG1-OD1 3.47Å; D560-K562 PolarHBondContact O-N 3.03Å
561	A	97.1	Very high	96.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	131.3	-175.9	0	0	0	0	0	112.1	P487 I489 R552 C557 T558	P487-A561 CarbonylContact O-C 3.54Å; P487-A561 WeakPolarHBondContact O-CA 3.02Å; P487-A561 WeakPolarHBondContact O-CB 3.33Å; I489-A561 HydrophobicContact CD1-CB 4.41Å; I489-A561 HydrophobicContact CG1-CB 4.41Å; R552-A561 PolarHBondContact NE-O 3.43Å; R552-A561 VanDerWaalsContact NE-O 3.11Å; C557-A561 HydrophobicContact CB-CB 3.67Å; T558-A561 VanDerWaalsContact O-CB 3.23Å; T558-A561 WeakPolarHBondContact O-CB 3.27Å; T558-A561 PolarHBondContact O-N 2.94Å; T558-A561 VanDerWaalsContact O-N 3.12Å; T558-A561 PolarHBondContact OG1-N 3.03Å
562	K	97.2	Very high	97	Very high	51 Å²	51	23 Å²	23	22%	0.222	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.6	178.7	-58.1	-173.8	-169.6	-173.9	0	109.7	P487 Y488 I489 D560 S592 E865	P487-K562 PolarHBondContact O-N 3.37Å; Y488-K562 CarbonylContact C-O 3.55Å; Y488-K562 WeakPolarHBondContact CA-O 3.12Å; Y488-K562 HydrophobicContact CD1-CB 4.19Å; Y488-K562 HydrophobicContact CE1-CD 4.31Å; I489-K562 PolarHBondContact N-O 3.24Å; D560-K562 PolarHBondContact O-N 3.03Å; K562-S592 WeakPolarHBondContact CB-OG 3.46Å; K562-E865 WeakPolarHBondContact CE-OE1 3.08Å; K562-E865 IonicContact NZ-OE1 2.77Å; K562-E865 PolarHBondContact NZ-OE1 3.08Å; K562-E865 IonicContact NZ-OE2 3.73Å; K562-E865 PolarHBondContact NZ-OE2 3.49Å
563	I	98.5	Very high	97.1	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.5	179.5	-54.2	169.1	0	0	0	107.9	I489 F491 Y545 I548 T549 L565 P591 S592	I489-I563 HydrophobicContact CB-CG1 4.22Å; I489-I563 HydrophobicContact CD1-CG1 4.37Å; I489-I563 HydrophobicContact CG2-CG2 4.41Å; I489-I563 WeakPolarHBondContact O-CA 3.24Å; F491-I563 HydrophobicContact CB-CG2 4.1Å; Y545-I563 HydrophobicContact CD2-CG2 4.39Å; Y545-I563 HydrophobicContact CE2-CB 4.3Å; Y545-I563 HydrophobicContact CE2-CD1 4.22Å; Y545-I563 HydrophobicContact CE2-CG2 3.81Å; I548-I563 HydrophobicContact CG2-CD1 3.98Å; T549-I563 HydrophobicContact CG2-CD1 3.79Å; I563-L565 HydrophobicContact CG2-CD1 4.13Å; I563-P591 CarbonylContact O-C 3.58Å; I563-P591 WeakPolarHBondContact O-CA 3.36Å; I563-S592 PolarHBondContact O-N 2.91Å
564	V	98.6	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132	168.7	170.3	0	0	0	0	108	I489 L490 F491 G593 V859 L862 F863	I489-V564 PolarHBondContact O-N 2.87Å; L490-V564 WeakPolarHBondContact CA-O 3.34Å; L490-V564 HydrophobicContact CD1-CB 4.04Å; L490-V564 HydrophobicContact CD1-CG1 3.82Å; F491-V564 PolarHBondContact N-O 3.12Å; V564-G593 WeakPolarHBondContact CA-O 3.38Å; V564-V859 HydrophobicContact CG1-CG1 4.48Å; V564-L862 HydrophobicContact CG1-CB 4.22Å; V564-L862 HydrophobicContact CG1-CD1 3.82Å; V564-L862 HydrophobicContact CG2-CB 3.87Å; V564-F863 HydrophobicContact CB-CD1 4.19Å; V564-F863 HydrophobicContact CB-CE1 3.59Å; V564-F863 HydrophobicContact CB-CZ 3.82Å; V564-F863 HydrophobicContact CG2-CD1 3.43Å; V564-F863 VanDerWaalsContact CG2-CD1 3.43Å; V564-F863 HydrophobicContact CG2-CE1 3.36Å; V564-F863 HydrophobicContact CG2-CG 4.07Å; V564-F863 HydrophobicContact CG2-CZ 3.98Å
565	L	98.7	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.1	169	-94.9	66	0	0	0	109.7	F491 Y545 I563 A575 V578 P591 G593 I594 F595	F491-L565 HydrophobicContact CB-CD1 4.12Å; F491-L565 HydrophobicContact CB-CG 4.39Å; F491-L565 HydrophobicContact CD1-CD1 3.88Å; F491-L565 HydrophobicContact CD1-CD2 4.24Å; F491-L565 HydrophobicContact CD1-CG 3.79Å; F491-L565 CarbonylContact O-C 3.57Å; F491-L565 WeakPolarHBondContact O-CA 3.32Å; Y545-L565 HydrophobicContact CD2-CD1 3.68Å; Y545-L565 HydrophobicContact CE2-CD1 3.61Å; I563-L565 HydrophobicContact CG2-CD1 4.13Å; L565-A575 HydrophobicContact CD2-CB 4.32Å; L565-A575 WeakPolarHBondContact CD2-O 3.32Å; L565-V578 HydrophobicContact CD2-CB 3.85Å; L565-V578 HydrophobicContact CD2-CG1 3.64Å; L565-P591 HydrophobicContact CD1-CB 3.81Å; L565-P591 HydrophobicContact CD1-CG 3.65Å; L565-P591 HydrophobicContact CD2-CG 4.31Å; L565-G593 PolarHBondContact N-O 3.08Å; L565-I594 HydrophobicContact CB-CB 4.36Å; L565-I594 HydrophobicContact CB-CD1 4.39Å; L565-I594 HydrophobicContact CB-CG1 4.03Å; L565-I594 CarbonylContact O-C 3.55Å; L565-I594 VanDerWaalsContact O-CA 3.29Å; L565-I594 WeakPolarHBondContact O-CA 3.27Å; L565-F595 PolarHBondContact O-N 3.1Å
566	A	98.8	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.9	170.9	0	0	0	0	0	110	L490 F491 Y492 V493 W513 F595	L490-A566 HydrophobicContact CD1-CB 3.85Å; L490-A566 HydrophobicContact CD2-CB 4.44Å; L490-A566 HydrophobicContact CG-CB 4.28Å; F491-A566 PolarHBondContact O-N 2.91Å; Y492-A566 CarbonylContact C-O 3.27Å; Y492-A566 VanDerWaalsContact CA-O 3.27Å; Y492-A566 WeakPolarHBondContact CA-O 3.31Å; Y492-A566 HydrophobicContact CD2-CB 4Å; Y492-A566 WeakPolarHBondContact CD2-O 3.21Å; V493-A566 PolarHBondContact N-O 2.6Å; W513-A566 HydrophobicContact CZ3-CB 4.37Å; A566-F595 VanDerWaalsContact CA-O 3.32Å; A566-F595 WeakPolarHBondContact CA-O 3.39Å; A566-F595 HydrophobicContact CB-CB 4.1Å; A566-F595 HydrophobicContact CB-CD1 4.18Å
567	G	98.6	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.8	172.5	0	0	0	0	0	111.9	V493 F595 A597	V493-G567 VanDerWaalsContact O-CA 3.26Å; V493-G567 WeakPolarHBondContact O-CA 3Å; G567-F595 PolarHBondContact N-O 3.45Å; G567-A597 PolarHBondContact O-N 3.27Å
568	D	98	Very high	97.8	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141	178.4	81.5	-68.5	0	0	0	110.7	Y492 G495 Q506 A570 G571 G572 A597 Y598	Y492-D568 PolarHBondContact OH-OD1 3.23Å; G495-D568 WeakPolarHBondContact CA-O 3.49Å; G495-D568 PolarHBondContact N-O 3.19Å; G495-D568 PolarHBondContact N-OD1 3.14Å; Q506-D568 PolarHBondContact NE2-OD1 3.18Å; Q506-D568 PolarHBondContact NE2-OD2 3.44Å; D568-A570 PolarHBondContact O-N 3.22Å; D568-G571 WeakPolarHBondContact O-CA 3.4Å; D568-G571 PolarHBondContact O-N 3.1Å; D568-G572 PolarHBondContact O-N 3.32Å; D568-A597 WeakPolarHBondContact CA-O 3.11Å; D568-A597 HydrophobicContact CB-CB 4.06Å; D568-Y598 HydrophobicContact CB-CE2 3.59Å; D568-Y598 WeakPolarHBondContact OD2-CE2 3.35Å; D568-Y598 PolarHBondContact OD2-OH 3.29Å; D568-Y598 VanDerWaalsContact OD2-OH 3.1Å
569	S	97.2	Very high	97.9	Very high	12 Å²	12	13 Å²	13	8%	0.084	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-130.4	-177.9	-168	0	0	0	0	110.9	G571 G572 N573 A597 Y598 P600 H836	S569-G571 PolarHBondContact O-N 3.26Å; S569-G571 VanDerWaalsContact O-N 3.15Å; S569-G572 PolarHBondContact O-N 3.19Å; S569-N573 PolarHBondContact O-N 2.57Å; S569-A597 PolarHBondContact N-O 2.92Å; S569-Y598 WeakPolarHBondContact CA-O 3.13Å; S569-P600 VanDerWaalsContact C-CD 3.48Å; S569-P600 WeakPolarHBondContact O-CD 3.18Å; S569-H836 PolarHBondContact OG-CE1 3.31Å; S569-H836 PolarHBondContact OG-NE2 3.49Å
570	A	97.9	Very high	98	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-50.2	-32.7	173.5	0	0	0	0	0	114.6	F498 D568 G572 N573 L574	F498-A570 HydrophobicContact CD1-CB 3.73Å; F498-A570 HydrophobicContact CD2-CB 3.88Å; F498-A570 HydrophobicContact CE1-CB 3.64Å; F498-A570 WeakPolarHBondContact CE1-O 3.3Å; F498-A570 HydrophobicContact CE2-CB 3.78Å; F498-A570 HydrophobicContact CG-CB 3.85Å; F498-A570 HydrophobicContact CZ-CB 3.66Å; D568-A570 PolarHBondContact O-N 3.22Å; A570-G572 VanDerWaalsContact C-N 3.33Å; A570-G572 PolarHBondContact O-N 3.29Å; A570-N573 WeakPolarHBondContact O-CB 3.24Å; A570-N573 PolarHBondContact O-N 3.43Å; A570-L574 PolarHBondContact O-N 3.1Å
571	G	98.5	Very high	98.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-68.5	-32.7	176.6	0	0	0	0	0	112.7	V493 H494 D568 S569 N573 L574 A575	V493-G571 WeakPolarHBondContact O-CA 3.32Å; H494-G571 WeakPolarHBondContact O-CA 3.48Å; H494-G571 PolarHBondContact O-N 2.74Å; D568-G571 WeakPolarHBondContact O-CA 3.4Å; D568-G571 PolarHBondContact O-N 3.1Å; S569-G571 PolarHBondContact O-N 3.26Å; S569-G571 VanDerWaalsContact O-N 3.15Å; G571-N573 VanDerWaalsContact C-N 3.32Å; G571-L574 PolarHBondContact O-N 3.28Å; G571-A575 VanDerWaalsContact O-CB 3.32Å; G571-A575 WeakPolarHBondContact O-CB 3.48Å; G571-A575 PolarHBondContact O-N 3.31Å
572	G	98.6	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-64.6	-36.7	171.8	0	0	0	0	0	112.4	D568 S569 A570 A575 L576 L596	D568-G572 PolarHBondContact O-N 3.32Å; S569-G572 PolarHBondContact O-N 3.19Å; A570-G572 VanDerWaalsContact C-N 3.33Å; A570-G572 PolarHBondContact O-N 3.29Å; G572-A575 PolarHBondContact O-N 3.47Å; G572-L576 WeakPolarHBondContact O-CB 3.43Å; G572-L576 PolarHBondContact O-N 3.29Å; G572-L596 VanDerWaalsContact O-CD2 3.26Å; G572-L596 WeakPolarHBondContact O-CD2 3.34Å
573	N	98.5	Very high	97.9	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-63	-49.2	175.6	176.7	-80.5	0	0	0	110.6	F498 S569 A570 G571 A575 L576 G577 T599 P600 M782	F498-N573 HydrophobicContact CE1-CB 4.28Å; F498-N573 HydrophobicContact CZ-CB 4.05Å; S569-N573 PolarHBondContact O-N 2.57Å; A570-N573 WeakPolarHBondContact O-CB 3.24Å; A570-N573 PolarHBondContact O-N 3.43Å; G571-N573 VanDerWaalsContact C-N 3.32Å; N573-A575 PolarHBondContact O-N 3.22Å; N573-L576 PolarHBondContact O-N 3.5Å; N573-G577 PolarHBondContact O-N 3.24Å; N573-T599 HydrophobicContact CB-CG2 4.36Å; N573-T599 VanDerWaalsContact N-CG2 3.3Å; N573-P600 HydrophobicContact CB-CG 4.45Å; N573-P600 WeakPolarHBondContact CB-O 3.22Å; N573-P600 PolarHBondContact ND2-O 3.4Å; N573-M782 PolarHBondContact ND2-O 2.97Å; N573-M782 VanDerWaalsContact ND2-O 3.15Å
574	L	98.7	Very high	97.7	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-61.4	-43.2	176.2	-66.3	174.6	0	0	0	111.9	V493 F498 Y526 A537 L538 A570 G571 L576 G577 V578 Y632	V493-L574 HydrophobicContact CG1-CB 3.98Å; V493-L574 HydrophobicContact CG1-CD1 4.04Å; F498-L574 HydrophobicContact CD1-CD1 4.36Å; F498-L574 HydrophobicContact CD1-CD2 4.5Å; F498-L574 HydrophobicContact CD1-CG 4.34Å; F498-L574 HydrophobicContact CE1-CD2 4.3Å; F498-L574 HydrophobicContact CE1-CG 4.08Å; Y526-L574 HydrophobicContact CD1-CD1 3.91Å; Y526-L574 HydrophobicContact CD2-CD1 4.12Å; Y526-L574 HydrophobicContact CE1-CD1 3.71Å; Y526-L574 HydrophobicContact CE2-CD1 3.94Å; Y526-L574 HydrophobicContact CG-CD1 4.12Å; A537-L574 HydrophobicContact CB-CD1 3.99Å; A537-L574 HydrophobicContact CB-CD2 4.02Å; L538-L574 HydrophobicContact CB-CD2 4.06Å; A570-L574 PolarHBondContact O-N 3.1Å; G571-L574 PolarHBondContact O-N 3.28Å; L574-L576 VanDerWaalsContact C-N 3.33Å; L574-L576 PolarHBondContact O-N 3.45Å; L574-G577 PolarHBondContact O-N 3.27Å; L574-V578 WeakPolarHBondContact O-CG2 3.43Å; L574-V578 PolarHBondContact O-N 3.32Å; L574-Y632 HydrophobicContact CD2-CE2 4.38Å; L574-Y632 VanDerWaalsContact CD2-OH 3.28Å; L574-Y632 WeakPolarHBondContact CD2-OH 3.34Å
575	A	98.8	Very high	97.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.9	-41.3	177.2	0	0	0	0	0	112	V493 L565 G571 G572 N573 V578 C579 I594	V493-A575 HydrophobicContact CG2-CB 4.23Å; L565-A575 HydrophobicContact CD2-CB 4.32Å; L565-A575 WeakPolarHBondContact CD2-O 3.32Å; G571-A575 VanDerWaalsContact O-CB 3.32Å; G571-A575 WeakPolarHBondContact O-CB 3.48Å; G571-A575 PolarHBondContact O-N 3.31Å; G572-A575 PolarHBondContact O-N 3.47Å; N573-A575 PolarHBondContact O-N 3.22Å; A575-V578 WeakPolarHBondContact O-CB 3.48Å; A575-V578 PolarHBondContact O-N 2.85Å; A575-C579 PolarHBondContact O-N 2.73Å; A575-C579 VanDerWaalsContact O-N 3.09Å; A575-I594 HydrophobicContact CB-CD1 3.91Å
576	L	98.4	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-42.8	175	-173.8	56	0	0	0	111.3	G572 N573 L574 V578 C579 M580 I594 L596 V601 P784 L795 L815	G572-L576 WeakPolarHBondContact O-CB 3.43Å; G572-L576 PolarHBondContact O-N 3.29Å; N573-L576 PolarHBondContact O-N 3.5Å; L574-L576 VanDerWaalsContact C-N 3.33Å; L574-L576 PolarHBondContact O-N 3.45Å; L576-V578 VanDerWaalsContact C-N 3.31Å; L576-V578 PolarHBondContact O-N 3.01Å; L576-C579 WeakPolarHBondContact O-CB 3.39Å; L576-C579 PolarHBondContact O-N 3.23Å; L576-M580 HydrophobicContact CG-SD 4.41Å; L576-M580 WeakPolarHBondContact O-CG 3.44Å; L576-M580 PolarHBondContact O-N 3.48Å; L576-I594 HydrophobicContact CB-CD1 4.26Å; L576-I594 HydrophobicContact CD1-CD1 4.41Å; L576-L596 HydrophobicContact CD2-CD1 4.32Å; L576-V601 HydrophobicContact CD2-CG1 4.36Å; L576-P784 HydrophobicContact CB-CG 4.34Å; L576-P784 HydrophobicContact CD2-CB 3.36Å; L576-P784 HydrophobicContact CD2-CG 3.74Å; L576-P784 HydrophobicContact CG-CB 3.84Å; L576-P784 HydrophobicContact CG-CG 3.96Å; L576-L795 HydrophobicContact CD1-CD1 3.83Å; L576-L795 HydrophobicContact CD1-CD2 3.94Å; L576-L815 HydrophobicContact CD2-CD2 3.78Å
577	G	97.6	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.8	-37	173.1	0	0	0	0	0	113.4	N573 L574 M580 R581	N573-G577 PolarHBondContact O-N 3.24Å; L574-G577 PolarHBondContact O-N 3.27Å; G577-M580 PolarHBondContact O-N 3.28Å; G577-R581 WeakPolarHBondContact O-CB 3.25Å; G577-R581 PolarHBondContact O-N 2.79Å
578	V	98.5	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-45.4	173.8	171.3	0	0	0	0	111.2	L538 C541 Y542 Y545 L565 L574 A575 L576 R581 A582	L538-V578 HydrophobicContact CD1-CG2 4.25Å; C541-V578 HydrophobicContact CB-CG2 3.59Å; Y542-V578 HydrophobicContact CD2-CG1 4.21Å; Y545-V578 HydrophobicContact CD1-CG1 4.21Å; Y545-V578 HydrophobicContact CD2-CG1 4.42Å; Y545-V578 HydrophobicContact CG-CG1 3.85Å; L565-V578 HydrophobicContact CD2-CB 3.85Å; L565-V578 HydrophobicContact CD2-CG1 3.64Å; L574-V578 WeakPolarHBondContact O-CG2 3.43Å; L574-V578 PolarHBondContact O-N 3.32Å; A575-V578 WeakPolarHBondContact O-CB 3.48Å; A575-V578 PolarHBondContact O-N 2.85Å; L576-V578 VanDerWaalsContact C-N 3.31Å; L576-V578 PolarHBondContact O-N 3.01Å; V578-R581 PolarHBondContact O-N 3.22Å; V578-A582 WeakPolarHBondContact O-CB 3.19Å; V578-A582 PolarHBondContact O-N 2.93Å
579	C	98.3	Very high	96.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-58.7	-48.8	175	-74	0	0	0	0	111.4	A575 L576 R581 A582 V583 L795	A575-C579 PolarHBondContact O-N 2.73Å; A575-C579 VanDerWaalsContact O-N 3.09Å; L576-C579 WeakPolarHBondContact O-CB 3.39Å; L576-C579 PolarHBondContact O-N 3.23Å; C579-R581 VanDerWaalsContact C-N 3.27Å; C579-R581 PolarHBondContact O-N 2.75Å; C579-A582 WeakPolarHBondContact O-CB 3.36Å; C579-A582 PolarHBondContact O-N 2.92Å; C579-V583 WeakPolarHBondContact O-CG2 3.36Å; C579-V583 PolarHBondContact O-N 3.11Å; C579-L795 HydrophobicContact CB-CD2 3.6Å
580	M	97.1	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-40.2	177.3	-66.9	169.7	63.4	0	0	111.7	V211 L576 G577 V583 R584 G780 F781 P784 A787 M791 L795	V211-M580 HydrophobicContact CG1-CE 3.99Å; L576-M580 HydrophobicContact CG-SD 4.41Å; L576-M580 WeakPolarHBondContact O-CG 3.44Å; L576-M580 PolarHBondContact O-N 3.48Å; G577-M580 PolarHBondContact O-N 3.28Å; M580-V583 WeakPolarHBondContact O-CB 3.33Å; M580-V583 PolarHBondContact O-N 2.82Å; M580-R584 PolarHBondContact O-N 3.49Å; M580-G780 WeakPolarHBondContact CE-O 3.3Å; M580-F781 HydrophobicContact CB-CD1 4.16Å; M580-F781 HydrophobicContact CB-CE1 3.83Å; M580-F781 HydrophobicContact CE-CD1 4.43Å; M580-P784 HydrophobicContact SD-CB 3.78Å; M580-P784 HydrophobicContact SD-CG 4.04Å; M580-A787 HydrophobicContact CE-CB 3.33Å; M580-M791 HydrophobicContact CB-CG 4.1Å; M580-M791 HydrophobicContact CB-SD 3.96Å; M580-M791 HydrophobicContact CE-CG 3.58Å; M580-M791 HydrophobicContact CG-CG 4.14Å; M580-L795 HydrophobicContact CG-CD2 3.96Å
581	R	95.8	Very high	96.5	Very high	47 Å²	47	26.2 Å²	26.2	18%	0.177	12%	0.116	C	C	.	.	H	α-helix	trans	-69.4	-36.7	179.4	-166.9	168.3	169.4	178.5	-1.4	111.7	Y542 G577 V578 C579 V583 R584 D585 F781	Y542-R581 HydrophobicContact CD1-CG 4.12Å; Y542-R581 HydrophobicContact CD2-CB 3.78Å; Y542-R581 HydrophobicContact CD2-CG 3.79Å; Y542-R581 HydrophobicContact CE1-CG 3.94Å; Y542-R581 VanDerWaalsContact CE1-NE 3.28Å; Y542-R581 HydrophobicContact CE2-CB 3.84Å; Y542-R581 HydrophobicContact CE2-CG 3.68Å; Y542-R581 HydrophobicContact CG-CB 4.35Å; Y542-R581 VanDerWaalsContact CG-CD 3.47Å; Y542-R581 HydrophobicContact CG-CG 4.01Å; G577-R581 WeakPolarHBondContact O-CB 3.25Å; G577-R581 PolarHBondContact O-N 2.79Å; V578-R581 PolarHBondContact O-N 3.22Å; C579-R581 VanDerWaalsContact C-N 3.27Å; C579-R581 PolarHBondContact O-N 2.75Å; R581-V583 VanDerWaalsContact C-N 3.31Å; R581-V583 PolarHBondContact O-N 3.27Å; R581-R584 PolarHBondContact O-N 2.84Å; R581-D585 IonicContact NE-OD2 3.67Å; R581-D585 WeakPolarHBondContact O-CB 3.22Å; R581-D585 PolarHBondContact O-N 3.3Å; R581-F781 HydrophobicContact CB-CE1 3.73Å; R581-F781 HydrophobicContact CB-CZ 4.05Å; R581-F781 HydrophobicContact CG-CE1 4.37Å; R581-F781 HydrophobicContact CG-CZ 4.21Å
582	A	96.4	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-35.5	173.3	0	0	0	0	0	112.7	Y542 Y545 V578 C579 R586 L587	Y542-A582 HydrophobicContact CE2-CB 4.44Å; Y545-A582 HydrophobicContact CE1-CB 4.48Å; V578-A582 WeakPolarHBondContact O-CB 3.19Å; V578-A582 PolarHBondContact O-N 2.93Å; C579-A582 WeakPolarHBondContact O-CB 3.36Å; C579-A582 PolarHBondContact O-N 2.92Å; A582-R586 PolarHBondContact O-N 3.46Å; A582-L587 HydrophobicContact CB-CD1 3.85Å; A582-L587 HydrophobicContact CB-CG 4.23Å; A582-L587 PolarHBondContact O-N 2.76Å
583	V	94.9	Very high	96.4	Very high	27 Å²	27	27.7 Å²	27.7	16%	0.164	13%	0.126	C	C	.	.	H	α-helix	trans	-65.9	-53.3	172.4	172	0	0	0	0	110.6	C579 M580 R581 D585 R586 M791 G794	C579-V583 WeakPolarHBondContact O-CG2 3.36Å; C579-V583 PolarHBondContact O-N 3.11Å; M580-V583 WeakPolarHBondContact O-CB 3.33Å; M580-V583 PolarHBondContact O-N 2.82Å; R581-V583 VanDerWaalsContact C-N 3.31Å; R581-V583 PolarHBondContact O-N 3.27Å; V583-D585 VanDerWaalsContact C-N 3.34Å; V583-D585 PolarHBondContact O-N 2.73Å; V583-R586 PolarHBondContact O-N 3.48Å; V583-M791 HydrophobicContact CB-SD 4.29Å; V583-M791 HydrophobicContact CG1-SD 4.21Å; V583-G794 VanDerWaalsContact CG2-C 3.47Å; V583-G794 WeakPolarHBondContact CG2-O 3.34Å
584	R	93.9	Very high	96.4	Very high	72 Å²	72	27.7 Å²	27.7	27%	0.272	13%	0.126	S	C	.	.	H	α-helix	trans	-54.7	-49.3	179.5	-173.5	-161.6	65.3	-177.1	0.4	112.1	V211 N212 M580 R581 R586 M791	V211-R584 HydrophobicContact CG2-CG 4.2Å; N212-R584 WeakPolarHBondContact OD1-CD 3.27Å; M580-R584 PolarHBondContact O-N 3.49Å; R581-R584 PolarHBondContact O-N 2.84Å; R584-R586 PolarHBondContact O-N 3.07Å; R584-M791 HydrophobicContact CB-CE 3.89Å; R584-M791 HydrophobicContact CB-SD 4.3Å; R584-M791 HydrophobicContact CG-CE 4.23Å
585	D	94.3	Very high	96.4	Very high	21 Å²	21	27.7 Å²	27.7	11%	0.112	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.1	-177.6	-67.5	-3.7	0	0	0	112.1	L369 I381 Y542 R581 V583 L587	L369-D585 WeakPolarHBondContact CD2-O 3.4Å; I381-D585 HydrophobicContact CD1-CB 4.03Å; Y542-D585 WeakPolarHBondContact CE1-OD2 3.32Å; Y542-D585 VanDerWaalsContact CZ-OD2 3.26Å; Y542-D585 VanDerWaalsContact OH-CB 3.3Å; Y542-D585 WeakPolarHBondContact OH-CB 3.34Å; Y542-D585 VanDerWaalsContact OH-CG 3.31Å; Y542-D585 PolarHBondContact OH-OD2 3.4Å; R581-D585 IonicContact NE-OD2 3.67Å; R581-D585 WeakPolarHBondContact O-CB 3.22Å; R581-D585 PolarHBondContact O-N 3.3Å; V583-D585 VanDerWaalsContact C-N 3.34Å; V583-D585 PolarHBondContact O-N 2.73Å; D585-L587 VanDerWaalsContact C-N 3.34Å; D585-L587 HydrophobicContact CB-CD2 4.15Å; D585-L587 HydrophobicContact CB-CG 4.45Å; D585-L587 PolarHBondContact O-N 2.94Å
586	R	93.7	Very high	96.4	Very high	170 Å²	170	27.8 Å²	27.8	64%	0.642	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	45.7	178.9	-65.3	178.1	-101.6	172.3	-6.7	112.7	L369 D370 A582 V583 R584 L588	L369-R586 CarbonylContact C-O 3.52Å; L369-R586 WeakPolarHBondContact CA-O 3.46Å; D370-R586 WeakPolarHBondContact CB-O 3.49Å; D370-R586 PolarHBondContact N-O 2.69Å; A582-R586 PolarHBondContact O-N 3.46Å; V583-R586 PolarHBondContact O-N 3.48Å; R584-R586 PolarHBondContact O-N 3.07Å; R586-L588 PolarHBondContact O-N 3.02Å
587	L	95.1	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-60.9	137.7	178.3	-60	-171	0	0	0	110.6	V367 L369 I381 Y542 Y545 A582 D585 N589 K590	V367-L587 HydrophobicContact CB-CD2 4.39Å; V367-L587 HydrophobicContact CG1-CD2 3.82Å; L369-L587 HydrophobicContact CD2-CD2 4.24Å; I381-L587 HydrophobicContact CG2-CD2 3.96Å; Y542-L587 HydrophobicContact CE2-CD1 4Å; Y545-L587 HydrophobicContact CD1-CD1 4.28Å; Y545-L587 HydrophobicContact CE1-CD1 3.98Å; A582-L587 HydrophobicContact CB-CD1 3.85Å; A582-L587 HydrophobicContact CB-CG 4.23Å; A582-L587 PolarHBondContact O-N 2.76Å; D585-L587 VanDerWaalsContact C-N 3.34Å; D585-L587 HydrophobicContact CB-CD2 4.15Å; D585-L587 HydrophobicContact CB-CG 4.45Å; D585-L587 PolarHBondContact O-N 2.94Å; L587-N589 PolarHBondContact O-N 3.15Å; L587-K590 WeakPolarHBondContact O-CE 3.36Å; L587-K590 WeakPolarHBondContact O-CG 3.34Å
588	L	93.4	Very high	96.5	Very high	79 Å²	79	27.8 Å²	27.8	41%	0.414	13%	0.126	S	C	.	.	S	Bend	trans	-59.7	-38.7	173.3	-179	63.8	0	0	0	111.3	P368 R586	P368-L588 HydrophobicContact CB-CB 4.19Å; P368-L588 HydrophobicContact CB-CD2 4.02Å; P368-L588 HydrophobicContact CG-CB 4.25Å; P368-L588 HydrophobicContact CG-CD2 4.2Å; P368-L588 WeakPolarHBondContact O-CB 3.48Å; P368-L588 PolarHBondContact O-N 2.99Å; R586-L588 PolarHBondContact O-N 3.02Å
589	N	93.7	Very high	96.5	Very high	46 Å²	46	28 Å²	28	25%	0.246	13%	0.128	C	C	.	.	S	Bend	trans	-105.5	78	-178.1	-69.3	-85.4	0	0	0	109.8	Y545 T549 R552 L587	Y545-N589 PolarHBondContact OH-O 3.02Å; T549-N589 HydrophobicContact CG2-CB 4.05Å; R552-N589 PolarHBondContact NH1-OD1 3.1Å; R552-N589 VanDerWaalsContact NH2-CG 3.31Å; R552-N589 PolarHBondContact NH2-OD1 3.23Å; L587-N589 PolarHBondContact O-N 3.15Å
590	K	95.1	Very high	96.4	Very high	78 Å²	78	28.2 Å²	28.2	34%	0.339	13%	0.129	S	C	.	.			trans	-74.5	157.3	170.7	-68.1	157	-166.8	150.2	0	110.6	D370 Y545 L587 S592	D370-K590 IonicContact OD2-NZ 2.86Å; D370-K590 PolarHBondContact OD2-NZ 3.29Å; Y545-K590 PolarHBondContact OH-O 3.01Å; L587-K590 WeakPolarHBondContact O-CE 3.36Å; L587-K590 WeakPolarHBondContact O-CG 3.34Å; K590-S592 PolarHBondContact O-N 2.62Å
591	P	97.6	Very high	96.3	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.045	13%	0.129	C	C	.	.			trans	-56.5	139.9	172	-28.1	38	0	0	0	111.2	Y545 I563 L565 G593 P796	Y545-P591 HydrophobicContact CE1-CG 4.4Å; Y545-P591 HydrophobicContact CE2-CG 3.78Å; Y545-P591 VanDerWaalsContact OH-CD 3.25Å; Y545-P591 WeakPolarHBondContact OH-CD 3.34Å; I563-P591 CarbonylContact O-C 3.58Å; I563-P591 WeakPolarHBondContact O-CA 3.36Å; L565-P591 HydrophobicContact CD1-CB 3.81Å; L565-P591 HydrophobicContact CD1-CG 3.65Å; L565-P591 HydrophobicContact CD2-CG 4.31Å; P591-G593 PolarHBondContact O-N 2.77Å; P591-P796 HydrophobicContact CB-CG 4.27Å; P591-P796 WeakPolarHBondContact O-CB 3.45Å
592	S	96.6	Very high	96.2	Very high	32 Å²	32	26.1 Å²	26.1	22%	0.224	12%	0.121	C	C	.	.	S	Bend	trans	-77.5	-13.1	177.1	-51	0	0	0	0	112.6	K562 I563 K590	K562-S592 WeakPolarHBondContact CB-OG 3.46Å; I563-S592 PolarHBondContact O-N 2.91Å; K590-S592 PolarHBondContact O-N 2.62Å
593	G	98.1	Very high	96	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	160.5	-178.5	0	0	0	0	0	111.3	V564 L565 P591 P797	V564-G593 WeakPolarHBondContact CA-O 3.38Å; L565-G593 PolarHBondContact N-O 3.08Å; P591-G593 PolarHBondContact O-N 2.77Å; G593-P797 WeakPolarHBondContact CA-O 3.38Å
594	I	98.7	Very high	95.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.3	173.5	-173.7	170.2	0	0	0	111.4	L565 A575 L576 L596 P796 P797 V798 V799	L565-I594 HydrophobicContact CB-CB 4.36Å; L565-I594 HydrophobicContact CB-CD1 4.39Å; L565-I594 HydrophobicContact CB-CG1 4.03Å; L565-I594 CarbonylContact O-C 3.55Å; L565-I594 VanDerWaalsContact O-CA 3.29Å; L565-I594 WeakPolarHBondContact O-CA 3.27Å; A575-I594 HydrophobicContact CB-CD1 3.91Å; L576-I594 HydrophobicContact CB-CD1 4.26Å; L576-I594 HydrophobicContact CD1-CD1 4.41Å; I594-L596 HydrophobicContact CD1-CD2 3.62Å; I594-L596 HydrophobicContact CD1-CG 4.24Å; I594-L596 HydrophobicContact CG1-CD2 3.81Å; I594-L596 HydrophobicContact CG1-CG 4.11Å; I594-P796 HydrophobicContact CG2-CG 4.36Å; I594-P797 PolarHBondContact N-O 2.91Å; I594-V798 HydrophobicContact CG2-CB 4.08Å; I594-V798 HydrophobicContact CG2-CG1 4Å; I594-V798 HydrophobicContact CG2-CG2 3.76Å; I594-V799 PolarHBondContact O-N 3.4Å
595	F	98.8	Very high	95	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.6	172.7	175.2	-85.9	0	0	0	110.2	W513 L565 A566 G567 A597 V799 V801 C855 L858 V859 L862	W513-F595 AromaticContact CH2-CD1 3.94Å; W513-F595 HydrophobicContact CH2-CD1 3.94Å; W513-F595 AromaticContact CH2-CE1 3.67Å; W513-F595 HydrophobicContact CH2-CE1 3.67Å; W513-F595 HydrophobicContact CH2-CZ 4.08Å; W513-F595 HydrophobicContact CZ2-CE1 4.45Å; W513-F595 HydrophobicContact CZ3-CD1 4.49Å; L565-F595 PolarHBondContact O-N 3.1Å; A566-F595 VanDerWaalsContact CA-O 3.32Å; A566-F595 WeakPolarHBondContact CA-O 3.39Å; A566-F595 HydrophobicContact CB-CB 4.1Å; A566-F595 HydrophobicContact CB-CD1 4.18Å; G567-F595 PolarHBondContact N-O 3.45Å; F595-A597 HydrophobicContact CE1-CB 3.84Å; F595-A597 HydrophobicContact CZ-CB 4.28Å; F595-V799 HydrophobicContact CD2-CB 4.25Å; F595-V799 HydrophobicContact CD2-CG1 3.75Å; F595-V799 HydrophobicContact CE2-CG1 4.1Å; F595-V801 HydrophobicContact CE2-CB 4.48Å; F595-V801 HydrophobicContact CE2-CG2 3.53Å; F595-V801 HydrophobicContact CZ-CB 4.31Å; F595-V801 HydrophobicContact CZ-CG2 3.81Å; F595-C855 HydrophobicContact CE2-CB 3.94Å; F595-C855 HydrophobicContact CZ-CB 3.6Å; F595-L858 HydrophobicContact CD2-CB 4.46Å; F595-L858 HydrophobicContact CE2-CB 4.37Å; F595-L858 HydrophobicContact CE2-CD1 4.35Å; F595-V859 HydrophobicContact CB-CG2 3.92Å; F595-V859 HydrophobicContact CD1-CG2 4.4Å; F595-V859 HydrophobicContact CD2-CG2 3.65Å; F595-V859 HydrophobicContact CE2-CG2 4.3Å; F595-V859 HydrophobicContact CG-CG2 3.72Å; F595-L862 HydrophobicContact CB-CD1 4.01Å
596	L	98.9	Very high	94.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.3	-177.6	-61.7	180	0	0	0	110	G572 L576 I594 T599 V798 V799 I800 V801 L815	G572-L596 VanDerWaalsContact O-CD2 3.26Å; G572-L596 WeakPolarHBondContact O-CD2 3.34Å; L576-L596 HydrophobicContact CD2-CD1 4.32Å; I594-L596 HydrophobicContact CD1-CD2 3.62Å; I594-L596 HydrophobicContact CD1-CG 4.24Å; I594-L596 HydrophobicContact CG1-CD2 3.81Å; I594-L596 HydrophobicContact CG1-CG 4.11Å; L596-T599 HydrophobicContact CD2-CG2 4.4Å; L596-V798 HydrophobicContact CD1-CG1 3.97Å; L596-V799 PolarHBondContact N-O 3.09Å; L596-I800 HydrophobicContact CD1-CG1 4.4Å; L596-I800 CarbonylContact O-C 3.43Å; L596-I800 WeakPolarHBondContact O-CA 3.38Å; L596-V801 PolarHBondContact O-N 3.42Å; L596-L815 HydrophobicContact CD1-CD2 4.29Å
597	A	98.6	Very high	94.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127	172.3	0	0	0	0	0	110.9	G567 D568 S569 F595 T599 V801 L839	G567-A597 PolarHBondContact O-N 3.27Å; D568-A597 WeakPolarHBondContact CA-O 3.11Å; D568-A597 HydrophobicContact CB-CB 4.06Å; S569-A597 PolarHBondContact N-O 2.92Å; F595-A597 HydrophobicContact CE1-CB 3.84Å; F595-A597 HydrophobicContact CZ-CB 4.28Å; A597-T599 PolarHBondContact O-N 3.07Å; A597-T599 PolarHBondContact O-OG1 2.81Å; A597-V801 CarbonylContact C-O 3.59Å; A597-V801 WeakPolarHBondContact CA-O 3.44Å; A597-L839 HydrophobicContact CB-CD1 3.94Å
598	Y	98.1	Very high	94.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	41	49.9	173.6	40.3	-102.7	0	0	0	113.6	D568 S569 V801 D806 H836 A837 F838 L839	D568-Y598 HydrophobicContact CB-CE2 3.59Å; D568-Y598 WeakPolarHBondContact OD2-CE2 3.35Å; D568-Y598 PolarHBondContact OD2-OH 3.29Å; D568-Y598 VanDerWaalsContact OD2-OH 3.1Å; S569-Y598 WeakPolarHBondContact CA-O 3.13Å; Y598-V801 PolarHBondContact N-O 2.89Å; Y598-D806 WeakPolarHBondContact CA-OD2 3.44Å; Y598-D806 WeakPolarHBondContact CB-OD2 3.5Å; Y598-H836 AromaticContact CD2-CE1 3.47Å; Y598-H836 VanDerWaalsContact CD2-CE1 3.47Å; Y598-H836 WeakPolarHBondContact CD2-CE1 2.76Å; Y598-H836 AromaticContact CD2-ND1 3.93Å; Y598-H836 AromaticContact CD2-NE2 3.76Å; Y598-H836 AromaticContact CG-CE1 4Å; Y598-H836 PolarHBondContact O-CE1 3.47Å; Y598-H836 VanDerWaalsContact O-CE1 3.31Å; Y598-A837 VanDerWaalsContact CZ-CA 3.48Å; Y598-F838 AromaticContact CD1-CD1 3.68Å; Y598-F838 HydrophobicContact CD1-CD1 3.68Å; Y598-F838 AromaticContact CD1-CE1 3.43Å; Y598-F838 HydrophobicContact CD1-CE1 3.43Å; Y598-F838 VanDerWaalsContact CD1-CE1 3.43Å; Y598-F838 HydrophobicContact CD1-CG 4.49Å; Y598-F838 HydrophobicContact CD1-CZ 4.03Å; Y598-F838 AromaticContact CE1-CD1 3.79Å; Y598-F838 HydrophobicContact CE1-CD1 3.79Å; Y598-F838 HydrophobicContact CE1-CD2 4.46Å; Y598-F838 AromaticContact CE1-CE1 3.71Å; Y598-F838 HydrophobicContact CE1-CE1 3.71Å; Y598-F838 HydrophobicContact CE1-CE2 4.35Å; Y598-F838 HydrophobicContact CE1-CG 4.16Å; Y598-F838 AromaticContact CE1-CZ 3.96Å; Y598-F838 HydrophobicContact CE1-CZ 3.96Å; Y598-L839 HydrophobicContact CE1-CD1 4.38Å; Y598-L839 HydrophobicContact CE1-CG 4.27Å
599	T	98.4	Very high	94.5	Very high	5 Å²	5	11.6 Å²	11.6	3%	0.031	6%	0.063	C	C	.	.			trans	-94.3	127.3	-163.9	-63.5	0	0	0	0	112	N573 L596 A597 V601	N573-T599 HydrophobicContact CB-CG2 4.36Å; N573-T599 VanDerWaalsContact N-CG2 3.3Å; L596-T599 HydrophobicContact CD2-CG2 4.4Å; A597-T599 PolarHBondContact O-N 3.07Å; A597-T599 PolarHBondContact O-OG1 2.81Å; T599-V601 HydrophobicContact CG2-CG1 4.42Å; T599-V601 PolarHBondContact O-N 3.41Å
600	P	97.1	Very high	94.7	Very high	5 Å²	5	9.4 Å²	9.4	3%	0.032	5%	0.051	C	C	.	.			trans	-71.6	123.6	167.9	28.3	-30.2	0	0	0	110.5	S569 N573 F808	S569-P600 VanDerWaalsContact C-CD 3.48Å; S569-P600 WeakPolarHBondContact O-CD 3.18Å; N573-P600 HydrophobicContact CB-CG 4.45Å; N573-P600 WeakPolarHBondContact CB-O 3.22Å; N573-P600 PolarHBondContact ND2-O 3.4Å; P600-F808 HydrophobicContact CB-CD1 3.92Å; P600-F808 HydrophobicContact CB-CD2 4.24Å; P600-F808 HydrophobicContact CB-CE1 3.71Å; P600-F808 HydrophobicContact CB-CE2 4.01Å; P600-F808 HydrophobicContact CB-CG 4.19Å; P600-F808 HydrophobicContact CB-CZ 3.73Å; P600-F808 HydrophobicContact CG-CD2 4.47Å; P600-F808 HydrophobicContact CG-CE2 4.09Å; P600-F808 HydrophobicContact CG-CZ 4.14Å
601	V	96.2	Very high	94.6	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	4%	0.037	C	C	.	.	S	Bend	trans	-105.1	-9.2	178.1	-59.6	0	0	0	0	112.3	L576 T599 S783 P784 Y785 D811 L815	L576-V601 HydrophobicContact CD2-CG1 4.36Å; T599-V601 HydrophobicContact CG2-CG1 4.42Å; T599-V601 PolarHBondContact O-N 3.41Å; V601-S783 CarbonylContact O-C 3.58Å; V601-S783 VanDerWaalsContact O-C 3.27Å; V601-S783 WeakPolarHBondContact O-CA 3.33Å; V601-P784 WeakPolarHBondContact O-CD 3.18Å; V601-P784 VanDerWaalsContact O-N 3.17Å; V601-Y785 HydrophobicContact CG2-CG 4.22Å; V601-Y785 WeakPolarHBondContact O-CB 3.39Å; V601-Y785 PolarHBondContact O-N 3.38Å; V601-D811 HydrophobicContact CG2-CB 3.81Å; V601-D811 WeakPolarHBondContact CG2-O 3.3Å; V601-D811 PolarHBondContact N-OD1 2.96Å; V601-L815 HydrophobicContact CG1-CB 4.25Å; V601-L815 HydrophobicContact CG1-CD2 3.64Å; V601-L815 HydrophobicContact CG1-CG 4.46Å; V601-L815 HydrophobicContact CG2-CB 4.38Å
602	L	93	Very high	94.5	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.01	4%	0.038	C	C	.	.			trans	-127.5	104.1	176.2	-177.8	62.3	0	0	0	109.7	F195 L203 S604 T606 R611 Y785 L786 D811	F195-L602 HydrophobicContact CD1-CD2 3.88Å; F195-L602 HydrophobicContact CE1-CD2 3.67Å; F195-L602 HydrophobicContact CZ-CD2 4.48Å; L203-L602 HydrophobicContact CD1-CD1 4Å; L203-L602 HydrophobicContact CD1-CD2 3.98Å; L203-L602 HydrophobicContact CD1-CG 4.45Å; L602-S604 PolarHBondContact O-N 3.15Å; L602-T606 HydrophobicContact CD2-CG2 4.11Å; L602-T606 WeakPolarHBondContact CD2-OG1 3.04Å; L602-R611 PolarHBondContact O-NH2 3.29Å; L602-Y785 HydrophobicContact CD2-CD1 4.41Å; L602-L786 HydrophobicContact CD1-CD1 3.89Å; L602-L786 HydrophobicContact CD1-CD2 4.08Å; L602-L786 HydrophobicContact CD1-CG 3.79Å; L602-D811 PolarHBondContact N-OD1 3.39Å
603	V	91.4	Very high	94.4	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.			trans	-84.6	69.2	176.8	179.8	0	0	0	0	108.2	F498 L629 Y632 Q778 M782 S783	F498-V603 HydrophobicContact CZ-CG2 4.45Å; V603-L629 HydrophobicContact CB-CD2 4.19Å; V603-L629 HydrophobicContact CG1-CD2 3.59Å; V603-Y632 HydrophobicContact CG1-CD1 3.87Å; V603-Y632 HydrophobicContact CG1-CE1 4.46Å; V603-Y632 HydrophobicContact CG2-CD1 4.47Å; V603-Y632 HydrophobicContact CG2-CE1 4.43Å; V603-Q778 PolarHBondContact O-NE2 3.34Å; V603-M782 HydrophobicContact CB-CE 4.35Å; V603-M782 HydrophobicContact CB-CG 4.02Å; V603-M782 HydrophobicContact CG1-CE 4.28Å; V603-M782 HydrophobicContact CG1-CG 4.08Å; V603-M782 HydrophobicContact CG1-SD 4.22Å; V603-M782 HydrophobicContact CG2-CG 4.34Å; V603-M782 WeakPolarHBondContact CG2-O 3.49Å; V603-S783 PolarHBondContact N-OG 3.26Å
604	S	87	Confident	94.2	Very high	11 Å²	11	5.3 Å²	5.3	8%	0.077	3%	0.029	C	C	.	.	S	Bend	trans	-154	163.7	176.4	-169.8	0	0	0	0	111.9	L602 T606 R611	L602-S604 PolarHBondContact O-N 3.15Å; S604-T606 PolarHBondContact O-N 3.05Å; S604-R611 PolarHBondContact O-NH1 2.95Å
605	F	81.5	Confident	93.8	Very high	26 Å²	26	5.5 Å²	5.5	11%	0.114	3%	0.03	C	C	.	.			trans	-80	52.3	176.5	-67	-67.1	0	0	0	113	S626 L629 L630 I771 R772 L776	F605-S626 VanDerWaalsContact CE1-CA 3.41Å; F605-S626 WeakPolarHBondContact CE1-OG 3.3Å; F605-L629 HydrophobicContact CD1-CD1 4.21Å; F605-L629 HydrophobicContact CE1-CD1 3.82Å; F605-L629 HydrophobicContact CZ-CB 4.05Å; F605-L629 HydrophobicContact CZ-CD1 4.04Å; F605-L630 HydrophobicContact CE2-CD2 4.19Å; F605-L630 HydrophobicContact CE2-CG 4.41Å; F605-L630 HydrophobicContact CZ-CG 4.29Å; F605-I771 HydrophobicContact CD1-CG2 4.12Å; F605-I771 HydrophobicContact CD2-CG2 4.01Å; F605-I771 HydrophobicContact CE1-CG2 3.54Å; F605-I771 HydrophobicContact CE2-CG2 3.4Å; F605-I771 HydrophobicContact CG-CG2 4.34Å; F605-I771 HydrophobicContact CZ-CG2 3.14Å; F605-R772 HydrophobicContact CB-CB 4.41Å; F605-R772 HydrophobicContact CB-CG 4.13Å; F605-L776 HydrophobicContact CD2-CD1 3.87Å; F605-L776 HydrophobicContact CE2-CD1 3.87Å
606	T	86.8	Confident	93.5	Very high	5 Å²	5	5.6 Å²	5.6	3%	0.031	3%	0.031	C	C	.	.			trans	-93.7	122.5	-178.6	-49.2	0	0	0	0	110	F195 P196 V201 L203 L602 S604 R611	F195-T606 HydrophobicContact CD1-CG2 3.67Å; F195-T606 HydrophobicContact CE1-CG2 4.32Å; P196-T606 HydrophobicContact CG-CG2 4.29Å; V201-T606 HydrophobicContact CG1-CG2 4.24Å; V201-T606 HydrophobicContact CG2-CG2 4.27Å; L203-T606 HydrophobicContact CD1-CG2 4.36Å; L203-T606 WeakPolarHBondContact CD1-OG1 3.38Å; L602-T606 HydrophobicContact CD2-CG2 4.11Å; L602-T606 WeakPolarHBondContact CD2-OG1 3.04Å; S604-T606 PolarHBondContact O-N 3.05Å; T606-R611 WeakPolarHBondContact O-CD 3.24Å
607	P	89.8	Confident	93.2	Very high	22 Å²	22	5.6 Å²	5.6	14%	0.143	3%	0.031	C	C	.	.			trans	-71.1	138.3	176.4	27.7	-31.2	0	0	0	110.4	P196 F240	P196-P607 WeakPolarHBondContact CD-O 3.48Å; P196-P607 HydrophobicContact CG-CG 3.86Å; P196-P607 WeakPolarHBondContact CG-O 3.45Å; F240-P607 HydrophobicContact CE2-CG 4.26Å; F240-P607 HydrophobicContact CZ-CG 3.82Å
608	S	93.8	Very high	92.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.032	C	C	.	.			trans	-141	161.5	164.4	75.7	0	0	0	0	107.6	S610 R611 L612 D810	S608-S610 VanDerWaalsContact C-N 3.29Å; S608-S610 PolarHBondContact O-N 2.99Å; S608-S610 PolarHBondContact OG-OG 3.12Å; S608-R611 PolarHBondContact O-N 3.27Å; S608-R611 VanDerWaalsContact O-N 3.1Å; S608-R611 WeakPolarHBondContact OG-CB 3.47Å; S608-R611 VanDerWaalsContact OG-CG 3.31Å; S608-R611 WeakPolarHBondContact OG-CG 3.42Å; S608-R611 PolarHBondContact OG-N 3.15Å; S608-R611 VanDerWaalsContact OG-N 3.14Å; S608-L612 PolarHBondContact O-N 3.06Å; S608-D810 WeakPolarHBondContact CB-OD2 3.09Å; S608-D810 PolarHBondContact OG-OD2 3.39Å
609	P	95.7	Very high	92.5	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-47.3	173.5	-32.5	40.4	0	0	0	113.8	G127 I128 F131 L182 L185 L194 L612 D810	G127-P609 VanDerWaalsContact C-CB 3.46Å; I128-P609 HydrophobicContact CG1-CB 4.09Å; I128-P609 HydrophobicContact CG1-CG 3.94Å; F131-P609 VanDerWaalsContact CE2-O 3.24Å; F131-P609 WeakPolarHBondContact CE2-O 3.25Å; L182-P609 HydrophobicContact CD2-CB 3.49Å; L182-P609 VanDerWaalsContact CD2-CB 3.49Å; L182-P609 HydrophobicContact CD2-CG 3.71Å; L185-P609 HydrophobicContact CD1-CG 3.79Å; L194-P609 HydrophobicContact CB-CG 4.19Å; L194-P609 HydrophobicContact CD1-CB 4.35Å; L194-P609 HydrophobicContact CD1-CG 3.74Å; L194-P609 HydrophobicContact CD2-CG 3.75Å; L194-P609 HydrophobicContact CG-CG 4.08Å; P609-L612 PolarHBondContact O-N 2.83Å; P609-D810 VanDerWaalsContact CD-OD2 3.29Å; P609-D810 WeakPolarHBondContact CD-OD2 3.34Å
610	S	96.8	Very high	92.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-40.8	178.5	69.9	0	0	0	0	111.4	S608 L612 L613 P807 D810	S608-S610 VanDerWaalsContact C-N 3.29Å; S608-S610 PolarHBondContact O-N 2.99Å; S608-S610 PolarHBondContact OG-OG 3.12Å; S610-L612 PolarHBondContact O-N 3.4Å; S610-L613 WeakPolarHBondContact O-CB 3.49Å; S610-L613 VanDerWaalsContact O-CG 3.24Å; S610-L613 WeakPolarHBondContact O-CG 3.2Å; S610-L613 PolarHBondContact O-N 3.04Å; S610-P807 CarbonylContact C-O 3.53Å; S610-P807 WeakPolarHBondContact CB-O 3.18Å; S610-P807 WeakPolarHBondContact O-CA 3.41Å; S610-P807 PolarHBondContact OG-O 3.36Å; S610-D810 WeakPolarHBondContact CB-OD2 3.33Å; S610-D810 PolarHBondContact N-OD2 3.46Å; S610-D810 VanDerWaalsContact OG-CB 3.3Å; S610-D810 WeakPolarHBondContact OG-CB 3.47Å; S610-D810 VanDerWaalsContact OG-CG 3.28Å; S610-D810 PolarHBondContact OG-N 3.39Å; S610-D810 PolarHBondContact OG-OD2 3.29Å
611	R	94.5	Very high	91.9	Very high	14 Å²	14	7.8 Å²	7.8	5%	0.053	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-64.4	-27.1	179.9	-72.2	174.9	171.4	-122.7	-1.3	112.9	L602 S604 T606 S608 L613 S614 P807 D811	L602-R611 PolarHBondContact O-NH2 3.29Å; S604-R611 PolarHBondContact O-NH1 2.95Å; T606-R611 WeakPolarHBondContact O-CD 3.24Å; S608-R611 PolarHBondContact O-N 3.27Å; S608-R611 VanDerWaalsContact O-N 3.1Å; S608-R611 WeakPolarHBondContact OG-CB 3.47Å; S608-R611 VanDerWaalsContact OG-CG 3.31Å; S608-R611 WeakPolarHBondContact OG-CG 3.42Å; S608-R611 PolarHBondContact OG-N 3.15Å; S608-R611 VanDerWaalsContact OG-N 3.14Å; R611-L613 PolarHBondContact O-N 3.49Å; R611-S614 VanDerWaalsContact O-CB 3.25Å; R611-S614 WeakPolarHBondContact O-CB 3.46Å; R611-S614 PolarHBondContact O-N 2.88Å; R611-S614 PolarHBondContact O-OG 3.38Å; R611-P807 WeakPolarHBondContact CA-O 3.43Å; R611-P807 VanDerWaalsContact CG-O 3.29Å; R611-P807 WeakPolarHBondContact CG-O 2.87Å; R611-P807 PolarHBondContact N-O 3.38Å; R611-D811 IonicContact CZ-OD1 2.6Å; R611-D811 IonicContact CZ-OD2 3.95Å; R611-D811 IonicContact NE-OD2 3.27Å; R611-D811 PolarHBondContact NE-OD2 3.19Å; R611-D811 VanDerWaalsContact NH2-CG 3.32Å; R611-D811 IonicContact NH2-OD1 3.59Å; R611-D811 PolarHBondContact NH2-OD1 3.22Å; R611-D811 IonicContact NH2-OD2 3.88Å; R611-D811 PolarHBondContact NH2-OD2 3.42Å
612	L	94.4	Very high	91.4	Very high	12 Å²	12	8.6 Å²	8.6	6%	0.063	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.3	170.7	-70.7	174.1	0	0	0	112.9	F131 V181 L182 L185 S608 P609 S610 S614 L615	F131-L612 HydrophobicContact CE2-CB 3.87Å; F131-L612 HydrophobicContact CZ-CB 3.97Å; V181-L612 HydrophobicContact CG1-CD1 3.81Å; L182-L612 HydrophobicContact CD2-CD1 3.79Å; L182-L612 HydrophobicContact CG-CD1 4.42Å; L185-L612 HydrophobicContact CD1-CD1 4.33Å; S608-L612 PolarHBondContact O-N 3.06Å; P609-L612 PolarHBondContact O-N 2.83Å; S610-L612 PolarHBondContact O-N 3.4Å; L612-S614 PolarHBondContact O-N 3.23Å; L612-L615 HydrophobicContact CD2-CD1 3.86Å; L612-L615 VanDerWaalsContact O-CB 3.3Å; L612-L615 WeakPolarHBondContact O-CB 3.4Å; L612-L615 WeakPolarHBondContact O-CG 3.3Å; L612-L615 PolarHBondContact O-N 3.2Å
613	L	95.5	Very high	91	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.4	170.4	-65.7	170.7	0	0	0	111.6	F131 I134 S610 R611 L615 C616 D617 P807	F131-L613 HydrophobicContact CD2-CD2 4.17Å; F131-L613 HydrophobicContact CE1-CD2 4.38Å; F131-L613 HydrophobicContact CE2-CD2 3.71Å; F131-L613 HydrophobicContact CE2-CG 3.95Å; F131-L613 HydrophobicContact CZ-CD2 3.83Å; F131-L613 HydrophobicContact CZ-CG 4.34Å; I134-L613 HydrophobicContact CD1-CD2 3.42Å; I134-L613 VanDerWaalsContact CD1-CD2 3.42Å; S610-L613 WeakPolarHBondContact O-CB 3.49Å; S610-L613 VanDerWaalsContact O-CG 3.24Å; S610-L613 WeakPolarHBondContact O-CG 3.2Å; S610-L613 PolarHBondContact O-N 3.04Å; R611-L613 PolarHBondContact O-N 3.49Å; L613-L615 PolarHBondContact O-N 2.95Å; L613-C616 CarbonylContact O-C 3.55Å; L613-C616 PolarHBondContact O-N 2.91Å; L613-C616 PolarHBondContact O-SG 3.35Å; L613-D617 VanDerWaalsContact O-CB 3.3Å; L613-D617 WeakPolarHBondContact O-CB 3.49Å; L613-D617 PolarHBondContact O-N 3.45Å; L613-P807 HydrophobicContact CB-CG 4.31Å
614	S	93.6	Very high	90.8	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.021	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-58.4	-16.4	174.7	69.2	0	0	0	0	113.5	R611 L612 C616 L620 P621 I622	R611-S614 VanDerWaalsContact O-CB 3.25Å; R611-S614 WeakPolarHBondContact O-CB 3.46Å; R611-S614 PolarHBondContact O-N 2.88Å; R611-S614 PolarHBondContact O-OG 3.38Å; L612-S614 PolarHBondContact O-N 3.23Å; S614-C616 VanDerWaalsContact C-N 3.31Å; S614-L620 WeakPolarHBondContact CB-O 3.43Å; S614-P621 CarbonylContact O-C 3.52Å; S614-P621 WeakPolarHBondContact O-CA 3.49Å; S614-I622 PolarHBondContact O-N 3.26Å
615	L	90.7	Very high	91	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-71.3	-26.6	171.2	-62	171.7	0	0	0	112.1	I250 Q252 L612 L613 I622 L768	I250-L615 HydrophobicContact CD1-CD1 3.63Å; I250-L615 HydrophobicContact CG2-CB 4.49Å; Q252-L615 WeakPolarHBondContact CG-O 3.06Å; Q252-L615 PolarHBondContact NE2-O 3.38Å; L612-L615 HydrophobicContact CD2-CD1 3.86Å; L612-L615 VanDerWaalsContact O-CB 3.3Å; L612-L615 WeakPolarHBondContact O-CB 3.4Å; L612-L615 WeakPolarHBondContact O-CG 3.3Å; L612-L615 PolarHBondContact O-N 3.2Å; L613-L615 PolarHBondContact O-N 2.95Å; L615-I622 HydrophobicContact CD2-CB 4.41Å; L615-I622 HydrophobicContact CD2-CG2 4.07Å; L615-L768 HydrophobicContact CD2-CD1 4.43Å
616	C	91.4	Very high	91.2	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.027	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	6.1	-179.8	61.9	0	0	0	0	114.3	F255 Y263 L613 S614	F255-C616 HydrophobicContact CB-CB 3.77Å; F255-C616 HydrophobicContact CD1-CB 3.43Å; F255-C616 VanDerWaalsContact CD1-CB 3.43Å; F255-C616 HydrophobicContact CD2-CB 3.64Å; F255-C616 HydrophobicContact CE1-CB 3.82Å; F255-C616 HydrophobicContact CE2-CB 4.02Å; F255-C616 HydrophobicContact CG-CB 3.31Å; F255-C616 HydrophobicContact CZ-CB 4.09Å; Y263-C616 PolarHBondContact OH-O 3.31Å; L613-C616 CarbonylContact O-C 3.55Å; L613-C616 PolarHBondContact O-N 2.91Å; L613-C616 PolarHBondContact O-SG 3.35Å; S614-C616 VanDerWaalsContact C-N 3.31Å
617	D	94	Very high	91.2	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.011	5%	0.046	C	C	.	.			trans	-77.6	127.4	-175	-167.3	-77	0	0	0	111.7	Y256 L613 L619 L620 P807	Y256-D617 WeakPolarHBondContact CE1-O 3.45Å; Y256-D617 PolarHBondContact OH-O 3.13Å; Y256-D617 VanDerWaalsContact OH-O 3.07Å; L613-D617 VanDerWaalsContact O-CB 3.3Å; L613-D617 WeakPolarHBondContact O-CB 3.49Å; L613-D617 PolarHBondContact O-N 3.45Å; D617-L619 VanDerWaalsContact C-N 3.32Å; D617-L619 PolarHBondContact O-N 3.35Å; D617-L619 WeakPolarHBondContact OD1-CA 3.49Å; D617-L619 PolarHBondContact OD1-N 3.18Å; D617-L620 PolarHBondContact OD1-N 2.9Å; D617-P807 HydrophobicContact CB-CG 4.27Å
618	P	90.9	Very high	91.3	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.026	4%	0.041	C	C	.	.	S	Bend	trans	-79.3	-6.1	-176.5	33.3	-37.9	0	0	0	115.1	L260 A261 L264 L272 N276	L260-P618 HydrophobicContact CD1-CB 3.73Å; A261-P618 HydrophobicContact CB-CG 4.41Å; L264-P618 HydrophobicContact CD1-CG 4.48Å; L272-P618 HydrophobicContact CB-CG 4.49Å; L272-P618 HydrophobicContact CD1-CG 3.74Å; L272-P618 HydrophobicContact CD2-CG 4.28Å; L272-P618 HydrophobicContact CG-CG 4.4Å; N276-P618 PolarHBondContact ND2-O 3.01Å; N276-P618 PolarHBondContact OD1-O 3.1Å
619	L	89.7	Confident	91.1	Very high	36 Å²	36	7.9 Å²	7.9	19%	0.188	4%	0.043	C	C	.	.	S	Bend	trans	-117.1	-42.8	179.5	-72.8	177.8	0	0	0	112.8	L272 L275 D617 P621 P835 H836 F841	L272-L619 HydrophobicContact CD2-CD1 3.81Å; L272-L619 HydrophobicContact CD2-CD2 3.4Å; L272-L619 VanDerWaalsContact CD2-CD2 3.4Å; L272-L619 HydrophobicContact CD2-CG 3.4Å; L272-L619 VanDerWaalsContact CD2-CG 3.4Å; L275-L619 HydrophobicContact CD1-CD2 4.37Å; D617-L619 VanDerWaalsContact C-N 3.32Å; D617-L619 PolarHBondContact O-N 3.35Å; D617-L619 WeakPolarHBondContact OD1-CA 3.49Å; D617-L619 PolarHBondContact OD1-N 3.18Å; L619-P621 VanDerWaalsContact O-CD 3.24Å; L619-P621 WeakPolarHBondContact O-CD 3.41Å; L619-P835 HydrophobicContact CD1-CB 3.94Å; L619-P835 HydrophobicContact CD1-CG 4.34Å; L619-H836 WeakPolarHBondContact CD1-O 3.41Å; L619-F841 HydrophobicContact CD1-CE2 3.81Å; L619-F841 HydrophobicContact CD1-CZ 4.01Å; L619-F841 HydrophobicContact CD2-CZ 4.25Å
620	L	91.6	Very high	90.8	Very high	12 Å²	12	8 Å²	8	6%	0.063	4%	0.043	C	C	.	.	S	Bend	trans	-120.8	60.7	-176.8	-165.4	65.8	0	0	0	111.1	S614 D617 L625 P807 F808	S614-L620 WeakPolarHBondContact CB-O 3.43Å; D617-L620 PolarHBondContact OD1-N 2.9Å; L620-L625 HydrophobicContact CD1-CB 4.23Å; L620-L625 HydrophobicContact CD1-CD1 4.46Å; L620-L625 HydrophobicContact CD2-CD1 4.38Å; L620-L625 HydrophobicContact CG-CB 4.22Å; L620-P807 HydrophobicContact CB-CG 4.37Å; L620-P807 HydrophobicContact CD2-CB 4.27Å; L620-P807 HydrophobicContact CD2-CG 4.22Å; L620-F808 HydrophobicContact CD2-CD2 4.16Å; L620-F808 HydrophobicContact CD2-CE2 3.37Å; L620-F808 HydrophobicContact CD2-CZ 3.59Å
621	P	91	Very high	90.6	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.026	4%	0.044	C	C	.	.			trans	-66.3	153.3	177.2	30.3	-35.8	0	0	0	110.4	Y256 T321 S614 L619 G623 V624 L625	Y256-P621 WeakPolarHBondContact OH-CB 3.41Å; T321-P621 HydrophobicContact CG2-CB 3.79Å; T321-P621 HydrophobicContact CG2-CG 3.41Å; T321-P621 VanDerWaalsContact CG2-CG 3.41Å; S614-P621 CarbonylContact O-C 3.52Å; S614-P621 WeakPolarHBondContact O-CA 3.49Å; L619-P621 VanDerWaalsContact O-CD 3.24Å; L619-P621 WeakPolarHBondContact O-CD 3.41Å; P621-G623 VanDerWaalsContact C-N 3.27Å; P621-G623 PolarHBondContact O-N 2.98Å; P621-G623 VanDerWaalsContact O-N 3.12Å; P621-V624 HydrophobicContact CG-CB 3.92Å; P621-V624 HydrophobicContact CG-CG2 3.6Å; P621-V624 WeakPolarHBondContact O-CB 3.47Å; P621-V624 PolarHBondContact O-N 3.28Å; P621-L625 PolarHBondContact O-N 2.98Å
622	I	86.6	Confident	90.5	Very high	17 Å²	17	7.4 Å²	7.4	9%	0.087	4%	0.042	C	C	.	.	H	α-helix	trans	-51.7	-44	-171.5	-175	60.2	0	0	0	112.7	S614 L615 V624 L625 S626 L768	S614-I622 PolarHBondContact O-N 3.26Å; L615-I622 HydrophobicContact CD2-CB 4.41Å; L615-I622 HydrophobicContact CD2-CG2 4.07Å; I622-V624 VanDerWaalsContact C-N 3.28Å; I622-V624 PolarHBondContact O-N 3.32Å; I622-L625 PolarHBondContact O-N 3.13Å; I622-S626 WeakPolarHBondContact O-CB 3.3Å; I622-S626 PolarHBondContact O-N 3.14Å; I622-S626 PolarHBondContact O-OG 3.47Å; I622-L768 HydrophobicContact CG1-CD1 4.23Å; I622-L768 HydrophobicContact CG1-CD2 3.89Å; I622-L768 HydrophobicContact CG2-CD1 4.09Å; I622-L768 HydrophobicContact CG2-CD2 4.08Å
623	G	85.1	Confident	90.4	Very high	3 Å²	3	8.3 Å²	8.3	3%	0.031	5%	0.051	C	C	.	.	H	α-helix	trans	-78.3	-5.8	-178.4	0	0	0	0	0	114.7	T321 P621 K627	T321-G623 CarbonylContact O-C 3.52Å; T321-G623 VanDerWaalsContact O-C 3.3Å; T321-G623 WeakPolarHBondContact O-CA 3.47Å; P621-G623 VanDerWaalsContact C-N 3.27Å; P621-G623 PolarHBondContact O-N 2.98Å; P621-G623 VanDerWaalsContact O-N 3.12Å; G623-K627 WeakPolarHBondContact O-CD 3.48Å; G623-K627 WeakPolarHBondContact O-CG 3.36Å; G623-K627 PolarHBondContact O-NZ 3.43Å
624	V	86.9	Confident	90.1	Very high	13 Å²	13	10.3 Å²	10.3	8%	0.079	7%	0.072	C	C	.	.	H	α-helix	trans	-90.6	-46.6	165.5	170.1	0	0	0	0	109.4	W333 P621 I622 S626 K627 C628	W333-V624 HydrophobicContact CH2-CG1 3.45Å; W333-V624 VanDerWaalsContact CH2-CG1 3.45Å; W333-V624 HydrophobicContact CZ2-CG1 3.49Å; W333-V624 VanDerWaalsContact CZ2-CG1 3.49Å; W333-V624 HydrophobicContact CZ3-CG1 4.48Å; P621-V624 HydrophobicContact CG-CB 3.92Å; P621-V624 HydrophobicContact CG-CG2 3.6Å; P621-V624 WeakPolarHBondContact O-CB 3.47Å; P621-V624 PolarHBondContact O-N 3.28Å; I622-V624 VanDerWaalsContact C-N 3.28Å; I622-V624 PolarHBondContact O-N 3.32Å; V624-S626 VanDerWaalsContact C-N 3.28Å; V624-S626 PolarHBondContact O-N 2.93Å; V624-K627 PolarHBondContact O-N 3.13Å; V624-K627 VanDerWaalsContact O-N 3.15Å; V624-C628 PolarHBondContact O-N 2.91Å; V624-C628 VanDerWaalsContact O-N 3.12Å; V624-C628 PolarHBondContact O-SG 3.3Å
625	L	89.9	Confident	89.7	Confident	11 Å²	11	12.3 Å²	12.3	6%	0.058	8%	0.082	C	C	.	.	H	α-helix	trans	-51.7	-49.9	174.3	173.9	56.9	0	0	0	110.7	L620 P621 I622 K627 C628 L629 F808	L620-L625 HydrophobicContact CD1-CB 4.23Å; L620-L625 HydrophobicContact CD1-CD1 4.46Å; L620-L625 HydrophobicContact CD2-CD1 4.38Å; L620-L625 HydrophobicContact CG-CB 4.22Å; P621-L625 PolarHBondContact O-N 2.98Å; I622-L625 PolarHBondContact O-N 3.13Å; L625-K627 VanDerWaalsContact C-N 3.25Å; L625-K627 PolarHBondContact O-N 3.27Å; L625-C628 WeakPolarHBondContact O-CB 3.41Å; L625-C628 PolarHBondContact O-N 2.97Å; L625-L629 HydrophobicContact CD1-CD1 4.22Å; L625-L629 HydrophobicContact CD1-CG 4.21Å; L625-L629 HydrophobicContact CG-CD1 4.3Å; L625-L629 WeakPolarHBondContact O-CG 3.39Å; L625-L629 PolarHBondContact O-N 3.44Å; L625-L629 VanDerWaalsContact O-N 3.1Å; L625-F808 HydrophobicContact CD1-CE1 4.04Å; L625-F808 HydrophobicContact CD1-CZ 3.61Å
626	S	87	Confident	89.1	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-54.5	-41.2	179.7	-65	0	0	0	0	114.1	F605 I622 V624 L629 L630	F605-S626 VanDerWaalsContact CE1-CA 3.41Å; F605-S626 WeakPolarHBondContact CE1-OG 3.3Å; I622-S626 WeakPolarHBondContact O-CB 3.3Å; I622-S626 PolarHBondContact O-N 3.14Å; I622-S626 PolarHBondContact O-OG 3.47Å; V624-S626 VanDerWaalsContact C-N 3.28Å; V624-S626 PolarHBondContact O-N 2.93Å; S626-L629 PolarHBondContact O-N 3.47Å; S626-L630 WeakPolarHBondContact O-CG 3.48Å; S626-L630 PolarHBondContact O-N 3.39Å
627	K	87.1	Confident	88.2	Confident	12 Å²	12	17.8 Å²	17.8	5%	0.052	11%	0.109	C	C	.	.	H	α-helix	trans	-73.7	-36.9	-177.4	-59.8	-174.5	163.2	100.8	0	112.5	S324 V326 G623 V624 L625 L629 L630 A631 E637	S324-K627 WeakPolarHBondContact O-CE 3.48Å; S324-K627 PolarHBondContact O-NZ 2.91Å; V326-K627 HydrophobicContact CB-CB 4.27Å; G623-K627 WeakPolarHBondContact O-CD 3.48Å; G623-K627 WeakPolarHBondContact O-CG 3.36Å; G623-K627 PolarHBondContact O-NZ 3.43Å; V624-K627 PolarHBondContact O-N 3.13Å; V624-K627 VanDerWaalsContact O-N 3.15Å; L625-K627 VanDerWaalsContact C-N 3.25Å; L625-K627 PolarHBondContact O-N 3.27Å; K627-L629 VanDerWaalsContact C-N 3.25Å; K627-L629 PolarHBondContact O-N 2.91Å; K627-L630 PolarHBondContact O-N 3.41Å; K627-A631 WeakPolarHBondContact O-CB 3.35Å; K627-A631 PolarHBondContact O-N 2.92Å; K627-E637 VanDerWaalsContact CB-OE1 3.3Å; K627-E637 WeakPolarHBondContact CB-OE1 3.43Å; K627-E637 WeakPolarHBondContact CD-OE1 3.37Å; K627-E637 WeakPolarHBondContact CG-OE1 3.46Å
628	C	91	Very high	87	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-43.8	173.5	-62.5	0	0	0	0	109.9	G497 V624 L625 Y632	G497-C628 WeakPolarHBondContact O-CB 3.17Å; V624-C628 PolarHBondContact O-N 2.91Å; V624-C628 VanDerWaalsContact O-N 3.12Å; V624-C628 PolarHBondContact O-SG 3.3Å; L625-C628 WeakPolarHBondContact O-CB 3.41Å; L625-C628 PolarHBondContact O-N 2.97Å; C628-Y632 VanDerWaalsContact O-CB 3.26Å; C628-Y632 WeakPolarHBondContact O-CB 3.49Å; C628-Y632 PolarHBondContact O-N 3.37Å
629	L	90.2	Very high	85.8	Confident	6 Å²	6	29.5 Å²	29.5	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-47.7	177.4	-60.4	178.5	0	0	0	112.2	V603 F605 L625 S626 K627 Y632 A633	V603-L629 HydrophobicContact CB-CD2 4.19Å; V603-L629 HydrophobicContact CG1-CD2 3.59Å; F605-L629 HydrophobicContact CD1-CD1 4.21Å; F605-L629 HydrophobicContact CE1-CD1 3.82Å; F605-L629 HydrophobicContact CZ-CB 4.05Å; F605-L629 HydrophobicContact CZ-CD1 4.04Å; L625-L629 HydrophobicContact CD1-CD1 4.22Å; L625-L629 HydrophobicContact CD1-CG 4.21Å; L625-L629 HydrophobicContact CG-CD1 4.3Å; L625-L629 WeakPolarHBondContact O-CG 3.39Å; L625-L629 PolarHBondContact O-N 3.44Å; L625-L629 VanDerWaalsContact O-N 3.1Å; S626-L629 PolarHBondContact O-N 3.47Å; K627-L629 VanDerWaalsContact C-N 3.25Å; K627-L629 PolarHBondContact O-N 2.91Å; L629-Y632 PolarHBondContact O-N 3.49Å; L629-A633 WeakPolarHBondContact O-CB 3.34Å; L629-A633 PolarHBondContact O-N 3.47Å
630	L	89.2	Confident	84.5	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-46	178.9	-70	173.9	0	0	0	112.2	F605 S626 K627 Y632 A633 G634 I635 E637 L640 I771 I774 L776	F605-L630 HydrophobicContact CE2-CD2 4.19Å; F605-L630 HydrophobicContact CE2-CG 4.41Å; F605-L630 HydrophobicContact CZ-CG 4.29Å; S626-L630 WeakPolarHBondContact O-CG 3.48Å; S626-L630 PolarHBondContact O-N 3.39Å; K627-L630 PolarHBondContact O-N 3.41Å; L630-Y632 VanDerWaalsContact C-N 3.34Å; L630-Y632 PolarHBondContact O-N 2.91Å; L630-A633 CarbonylContact O-C 3.3Å; L630-A633 PolarHBondContact O-N 3.37Å; L630-G634 PolarHBondContact O-N 2.92Å; L630-I635 HydrophobicContact CB-CB 4.45Å; L630-I635 HydrophobicContact CD2-CB 4Å; L630-I635 HydrophobicContact CD2-CD1 4.3Å; L630-I635 HydrophobicContact CD2-CG2 4.04Å; L630-I635 PolarHBondContact O-N 2.97Å; L630-E637 HydrophobicContact CD1-CG 4.26Å; L630-L640 HydrophobicContact CD1-CD1 4.18Å; L630-I771 HydrophobicContact CD1-CG2 4.16Å; L630-I774 HydrophobicContact CD1-CD1 4.32Å; L630-I774 HydrophobicContact CD2-CD1 3.63Å; L630-I774 HydrophobicContact CD2-CG2 4.18Å; L630-L776 HydrophobicContact CD2-CD2 4.23Å
631	A	91.5	Very high	82.8	Confident	3 Å²	3	34.2 Å²	34.2	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-44.9	177.8	0	0	0	0	0	111.2	V326 I499 S529 P530 K627 A633 G634	V326-A631 HydrophobicContact CG2-CB 3.91Å; I499-A631 HydrophobicContact CG2-CB 3.65Å; S529-A631 WeakPolarHBondContact CB-O 3.47Å; P530-A631 HydrophobicContact CB-CB 3.99Å; K627-A631 WeakPolarHBondContact O-CB 3.35Å; K627-A631 PolarHBondContact O-N 2.92Å; A631-A633 VanDerWaalsContact C-N 3.33Å; A631-A633 PolarHBondContact O-N 3.5Å; A631-G634 PolarHBondContact O-N 3.37Å; A631-G634 VanDerWaalsContact O-N 3.09Å
632	Y	94	Very high	80.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-38.8	177	-173.7	-125.8	0	0	0	112.1	F498 Y534 L574 V603 C628 L629 L630 G634 M782	F498-Y632 HydrophobicContact CB-CD2 3.62Å; F498-Y632 HydrophobicContact CB-CE2 4.34Å; F498-Y632 HydrophobicContact CB-CG 3.97Å; F498-Y632 HydrophobicContact CD1-CD1 4.19Å; F498-Y632 AromaticContact CD1-CD2 3.58Å; F498-Y632 HydrophobicContact CD1-CD2 3.58Å; F498-Y632 HydrophobicContact CD1-CE1 4.15Å; F498-Y632 AromaticContact CD1-CE2 3.52Å; F498-Y632 HydrophobicContact CD1-CE2 3.52Å; F498-Y632 AromaticContact CD1-CG 3.91Å; F498-Y632 HydrophobicContact CD1-CG 3.91Å; F498-Y632 AromaticContact CD1-CZ 3.81Å; F498-Y632 AromaticContact CD2-CD1 4Å; F498-Y632 HydrophobicContact CD2-CD1 4Å; F498-Y632 HydrophobicContact CD2-CD2 4.14Å; F498-Y632 AromaticContact CD2-CG 3.71Å; F498-Y632 HydrophobicContact CD2-CG 3.71Å; F498-Y632 HydrophobicContact CE1-CD1 4.12Å; F498-Y632 HydrophobicContact CE1-CD2 4.24Å; F498-Y632 AromaticContact CE1-CE1 3.82Å; F498-Y632 HydrophobicContact CE1-CE1 3.82Å; F498-Y632 AromaticContact CE1-CE2 3.96Å; F498-Y632 HydrophobicContact CE1-CE2 3.96Å; F498-Y632 HydrophobicContact CE1-CG 4.31Å; F498-Y632 AromaticContact CE1-CZ 3.72Å; F498-Y632 AromaticContact CE2-CD1 3.94Å; F498-Y632 HydrophobicContact CE2-CD1 3.94Å; F498-Y632 HydrophobicContact CE2-CE1 4.37Å; F498-Y632 HydrophobicContact CE2-CG 4.15Å; F498-Y632 HydrophobicContact CG-CD1 4.13Å; F498-Y632 AromaticContact CG-CD2 3.51Å; F498-Y632 HydrophobicContact CG-CD2 3.51Å; F498-Y632 AromaticContact CG-CE2 3.99Å; F498-Y632 HydrophobicContact CG-CE2 3.99Å; F498-Y632 AromaticContact CG-CG 3.59Å; F498-Y632 HydrophobicContact CG-CG 3.59Å; F498-Y632 HydrophobicContact CZ-CD1 4Å; F498-Y632 AromaticContact CZ-CE1 3.95Å; F498-Y632 HydrophobicContact CZ-CE1 3.95Å; F498-Y632 HydrophobicContact CZ-CG 4.43Å; Y534-Y632 VanDerWaalsContact CB-O 3.24Å; Y534-Y632 WeakPolarHBondContact CB-O 3.23Å; Y534-Y632 HydrophobicContact CD2-CE1 4.08Å; Y534-Y632 HydrophobicContact CD2-CE2 4.42Å; Y534-Y632 AromaticContact CD2-CZ 3.74Å; Y534-Y632 WeakPolarHBondContact CD2-OH 3.29Å; Y534-Y632 PolarHBondContact N-O 3.43Å; L574-Y632 HydrophobicContact CD2-CE2 4.38Å; L574-Y632 VanDerWaalsContact CD2-OH 3.28Å; L574-Y632 WeakPolarHBondContact CD2-OH 3.34Å; V603-Y632 HydrophobicContact CG1-CD1 3.87Å; V603-Y632 HydrophobicContact CG1-CE1 4.46Å; V603-Y632 HydrophobicContact CG2-CD1 4.47Å; V603-Y632 HydrophobicContact CG2-CE1 4.43Å; C628-Y632 VanDerWaalsContact O-CB 3.26Å; C628-Y632 WeakPolarHBondContact O-CB 3.49Å; C628-Y632 PolarHBondContact O-N 3.37Å; L629-Y632 PolarHBondContact O-N 3.49Å; L630-Y632 VanDerWaalsContact C-N 3.34Å; L630-Y632 PolarHBondContact O-N 2.91Å; Y632-G634 PolarHBondContact O-N 3.48Å; Y632-M782 HydrophobicContact CD1-CG 4.27Å; Y632-M782 HydrophobicContact CE1-CG 3.79Å
633	A	90.5	Very high	78.8	Confident	31 Å²	31	43.8 Å²	43.8	26%	0.256	25%	0.247	S	C	.	.	H	α-helix	trans	-73.4	-6.5	174.6	0	0	0	0	0	114.2	L629 L630 A631 I635 L776	L629-A633 WeakPolarHBondContact O-CB 3.34Å; L629-A633 PolarHBondContact O-N 3.47Å; L630-A633 CarbonylContact O-C 3.3Å; L630-A633 PolarHBondContact O-N 3.37Å; A631-A633 VanDerWaalsContact C-N 3.33Å; A631-A633 PolarHBondContact O-N 3.5Å; A633-I635 HydrophobicContact CB-CD1 4.45Å; A633-I635 HydrophobicContact CB-CG1 4.22Å; A633-L776 HydrophobicContact CB-CD2 3.47Å; A633-L776 VanDerWaalsContact CB-CD2 3.47Å
634	G	89.2	Confident	76.8	Confident	43 Å²	43	49.7 Å²	49.7	44%	0.443	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	24.5	-179	0	0	0	0	0	114.4	L630 A631 Y632	L630-G634 PolarHBondContact O-N 2.92Å; A631-G634 PolarHBondContact O-N 3.37Å; A631-G634 VanDerWaalsContact O-N 3.09Å; Y632-G634 PolarHBondContact O-N 3.48Å
635	I	86.3	Confident	74.2	Confident	45 Å²	45	56 Å²	56	23%	0.231	31%	0.305	C	S	.	.			trans	-95.7	118.3	178.5	-56.7	-171.7	0	0	0	109.3	L630 A633 E637 I774 L776	L630-I635 HydrophobicContact CB-CB 4.45Å; L630-I635 HydrophobicContact CD2-CB 4Å; L630-I635 HydrophobicContact CD2-CD1 4.3Å; L630-I635 HydrophobicContact CD2-CG2 4.04Å; L630-I635 PolarHBondContact O-N 2.97Å; A633-I635 HydrophobicContact CB-CD1 4.45Å; A633-I635 HydrophobicContact CB-CG1 4.22Å; I635-E637 PolarHBondContact O-N 3.16Å; I635-I774 HydrophobicContact CD1-CG2 3.25Å; I635-I774 HydrophobicContact CG2-CG2 4.21Å; I635-L776 HydrophobicContact CD1-CD2 3.55Å; I635-L776 HydrophobicContact CG1-CD2 4.46Å
636	D	79	Confident	71.3	Confident	83 Å²	83	58.5 Å²	58.5	44%	0.444	33%	0.333	S	S	.	.			trans	-75.5	120.3	178.1	-176.2	3.5	0	0	0	111.2	A638 R639	D636-A638 VanDerWaalsContact C-N 3.27Å; D636-A638 PolarHBondContact O-N 2.72Å; D636-A638 PolarHBondContact OD1-N 3.32Å; D636-R639 HydrophobicContact CB-CG 4.14Å; D636-R639 PolarHBondContact O-N 3.16Å
637	E	71.1	Confident	68.4	Low	39 Å²	39	65.3 Å²	65.3	18%	0.182	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.5	176.3	-71.9	173.3	-164.4	0	0	112.1	K627 L630 I635 R639 L640 D641	K627-E637 VanDerWaalsContact CB-OE1 3.3Å; K627-E637 WeakPolarHBondContact CB-OE1 3.43Å; K627-E637 WeakPolarHBondContact CD-OE1 3.37Å; K627-E637 WeakPolarHBondContact CG-OE1 3.46Å; L630-E637 HydrophobicContact CD1-CG 4.26Å; I635-E637 PolarHBondContact O-N 3.16Å; E637-R639 PolarHBondContact O-N 3.18Å; E637-L640 VanDerWaalsContact O-CB 3.26Å; E637-L640 WeakPolarHBondContact O-CB 3.4Å; E637-L640 PolarHBondContact O-N 3.06Å; E637-D641 PolarHBondContact O-N 3.35Å
638	A	68.9	Low	65.4	Low	61 Å²	61	71.6 Å²	71.6	50%	0.504	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-27.7	-176.2	0	0	0	0	0	112.7	D636 L640 D641 S642	D636-A638 VanDerWaalsContact C-N 3.27Å; D636-A638 PolarHBondContact O-N 2.72Å; D636-A638 PolarHBondContact OD1-N 3.32Å; A638-L640 PolarHBondContact O-N 3.29Å; A638-D641 PolarHBondContact O-N 2.99Å; A638-S642 PolarHBondContact O-N 3.35Å
639	R	65	Low	62.2	Low	191 Å²	191	81 Å²	81	72%	0.721	44%	0.444	S	S	*	.	H	α-helix	trans	-71.3	-16.5	174.2	-67	-176.6	177.8	172.2	-1.3	113.1	D636 E637 S642	D636-R639 HydrophobicContact CB-CG 4.14Å; D636-R639 PolarHBondContact O-N 3.16Å; E637-R639 PolarHBondContact O-N 3.18Å; R639-S642 PolarHBondContact O-OG 3.28Å
640	L	63.4	Low	58.9	Low	54 Å²	54	90.2 Å²	90.2	28%	0.283	49%	0.487	S	S	.	.	H	α-helix	trans	-85	-31.1	175.8	-54.5	168.8	0	0	0	111.4	L630 E637 A638 I774	L630-L640 HydrophobicContact CD1-CD1 4.18Å; E637-L640 VanDerWaalsContact O-CB 3.26Å; E637-L640 WeakPolarHBondContact O-CB 3.4Å; E637-L640 PolarHBondContact O-N 3.06Å; A638-L640 PolarHBondContact O-N 3.29Å; L640-I774 HydrophobicContact CD1-CD1 3.37Å; L640-I774 HydrophobicContact CD2-CD1 3.46Å; L640-I774 VanDerWaalsContact CD2-CD1 3.46Å; L640-I774 HydrophobicContact CD2-CG1 3.84Å; L640-I774 HydrophobicContact CG-CD1 4.05Å
641	D	55.9	Low	55.7	Low	94 Å²	94	96.1 Å²	96.1	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-80.7	-21.3	178.1	-76.8	-30.5	0	0	0	112.8	E637 A638 D643 K644	E637-D641 PolarHBondContact O-N 3.35Å; A638-D641 PolarHBondContact O-N 2.99Å; D641-D643 PolarHBondContact O-N 3.46Å; D641-K644 WeakPolarHBondContact O-CB 3.5Å; D641-K644 PolarHBondContact O-N 2.94Å
642	S	48.5	Very low	52.4	Low	66 Å²	66	103.5 Å²	103.5	46%	0.462	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-62.7	-22.8	178.3	52.3	0	0	0	0	114.1	A638 R639 K644 L645	A638-S642 PolarHBondContact O-N 3.35Å; R639-S642 PolarHBondContact O-OG 3.28Å; S642-K644 PolarHBondContact O-N 3.23Å; S642-K644 VanDerWaalsContact O-N 3.1Å; S642-L645 PolarHBondContact O-N 3.3Å
643	D	45.4	Very low	49	Very low	156 Å²	156	111 Å²	111	83%	0.834	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-65.3	-9.2	170.9	-78.5	-8.6	0	0	0	112.9	D641	D641-D643 PolarHBondContact O-N 3.46Å
644	K	43.7	Very low	45.9	Very low	126 Å²	126	117.1 Å²	117.1	55%	0.548	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-100.4	-16.4	170.2	-71.1	-173.3	179.2	172.5	0	114.7	D641 S642 G646 R770	D641-K644 WeakPolarHBondContact O-CB 3.5Å; D641-K644 PolarHBondContact O-N 2.94Å; S642-K644 PolarHBondContact O-N 3.23Å; S642-K644 VanDerWaalsContact O-N 3.1Å; K644-G646 PolarHBondContact O-N 3.49Å; K644-R770 VanDerWaalsContact NZ-NH1 3.18Å
645	L	30.8	Very low	42.8	Very low	147 Å²	147	120.6 Å²	120.6	77%	0.77	64%	0.64	S	S	*	*			trans	-84.4	63.7	-177.6	-95.4	98	0	0	0	111.6	S642	S642-L645 PolarHBondContact O-N 3.3Å
646	G	28.9	Very low	39.8	Very low	63 Å²	63	123.5 Å²	123.5	65%	0.649	67%	0.665	S	S	*	*			trans	-86.3	114.7	144.8	0	0	0	0	0	108.1	K644	K644-G646 PolarHBondContact O-N 3.49Å
647	D	26.7	Very low	37	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	68%	0.68	S	S	*	*	S	Bend	trans	60.2	119.1	163.5	-60.7	-21.2	0	0	0	120.2
648	N	24	Very low	34.8	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	71%	0.707	S	S	*	*			trans	77.3	89.8	149.3	-53.6	-26.6	0	0	0	118.8
649	F	23.8	Very low	32.5	Very low	204 Å²	204	134.7 Å²	134.7	90%	0.895	72%	0.721	S	S	*	*			trans	-136.7	110.6	145.4	-93.4	-85.2	0	0	0	110.4
650	E	21.5	Very low	30.5	Very low	199 Å²	199	132.4 Å²	132.4	93%	0.93	73%	0.728	S	S	*	*			trans	-73.8	135.4	169.5	-75	177.9	150.8	0	0	110
651	V	22.4	Very low	28.6	Very low	126 Å²	126	138.8 Å²	138.8	76%	0.764	76%	0.757	S	S	*	*			trans	-95	120.3	179.3	176.8	0	0	0	0	108.1	E653	V651-E653 HydrophobicContact CG1-CG 4.41Å
652	D	22.1	Very low	27	Very low	157 Å²	157	143.4 Å²	143.4	84%	0.84	78%	0.775	S	S	*	*			trans	-91.9	114.6	175	-157.7	-1.5	0	0	0	109.9
653	E	22.8	Very low	26	Very low	158 Å²	158	147.2 Å²	147.2	74%	0.738	79%	0.791	S	S	*	*			trans	-102.9	113.2	176.1	-70.6	-169.4	157.3	0	0	109.4	V651	V651-E653 HydrophobicContact CG1-CG 4.41Å
654	N	23.8	Very low	25.3	Very low	159 Å²	159	144.3 Å²	144.3	85%	0.85	78%	0.782	S	S	*	*			trans	-158.5	110.3	154	-104.6	-39.4	0	0	0	113.4
655	P	25.2	Very low	24.9	Very low	117 Å²	117	142.4 Å²	142.4	76%	0.76	78%	0.783	S	S	*	*			trans	-105.8	122.4	176	34.2	-23.2	0	0	0	111.2
656	S	22.6	Very low	25.2	Very low	106 Å²	106	139 Å²	139	74%	0.741	77%	0.765	S	S	*	*			trans	-155	130.6	161.2	56	0	0	0	0	115.1
657	N	21.6	Very low	25.2	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	74%	0.742	S	S	*	*			trans	89.6	132.9	143.5	-60.7	-18.6	0	0	0	123.5
658	L	23.1	Very low	25.5	Very low	143 Å²	143	135.5 Å²	135.5	75%	0.749	74%	0.735	S	S	*	*			trans	106.7	101.2	145	-76.8	135.4	0	0	0	121.4
659	T	22.4	Very low	25.7	Very low	130 Å²	130	138.1 Å²	138.1	80%	0.798	73%	0.734	S	S	*	*			trans	50	128.8	130.7	58.4	0	0	0	0	122.6
660	T	21.7	Very low	26	Very low	142 Å²	142	130.2 Å²	130.2	87%	0.871	70%	0.701	S	S	*	*			trans	-93.5	131.6	-177.8	46.2	0	0	0	0	112.7
661	E	23.6	Very low	26.7	Very low	189 Å²	189	123 Å²	123	88%	0.883	67%	0.666	S	S	*	*			trans	-121.7	136.6	159.7	-82.7	-168.1	163.1	0	0	111.6
662	Q	22.9	Very low	27.1	Very low	190 Å²	190	120.4 Å²	120.4	89%	0.888	65%	0.654	S	S	*	*			trans	-85.5	127.9	-178.1	-68.7	175.8	-18.6	0	0	109.8
663	N	26.4	Very low	27.4	Very low	147 Å²	147	117.5 Å²	117.5	79%	0.786	64%	0.642	S	S	*	*			trans	-140.7	148.2	162.1	-93.8	-38.5	0	0	0	111.3
664	S	31	Very low	27.9	Very low	94 Å²	94	116.7 Å²	116.7	66%	0.657	64%	0.636	S	S	*	*			trans	-69.4	159.7	-162.1	54.2	0	0	0	0	115.4	I666	S664-I666 PolarHBondContact O-N 3.03Å
665	P	36	Very low	28.2	Very low	86 Å²	86	112 Å²	112	56%	0.558	61%	0.607	S	S	*	*			trans	-83.2	107.4	-159.5	24	-19.1	0	0	0	113.5	W667 S668	P665-W667 PolarHBondContact O-N 2.66Å; P665-W667 VanDerWaalsContact O-N 3.15Å; P665-S668 PolarHBondContact O-OG 3.05Å
666	I	36.6	Very low	28.3	Very low	77 Å²	77	110 Å²	110	40%	0.395	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.4	-18.9	174.5	-78	168	0	0	0	113.6	S664 S668 R669 L670	S664-I666 PolarHBondContact O-N 3.03Å; I666-S668 PolarHBondContact O-N 3.47Å; I666-S668 VanDerWaalsContact O-N 3.15Å; I666-R669 PolarHBondContact O-N 3.17Å; I666-L670 HydrophobicContact CG2-CD1 3.86Å; I666-L670 HydrophobicContact CG2-CG 4.25Å; I666-L670 PolarHBondContact O-N 3.26Å
667	W	29.3	Very low	28.4	Very low	45 Å²	45	110.7 Å²	110.7	17%	0.17	59%	0.591	C	S	.	*	H	α-helix	trans	-54.3	-35.1	178.9	-78.2	112	0	0	0	113.4	V297 V340 V341 P665 R669 L670 F671	V297-W667 HydrophobicContact CB-CZ2 4.24Å; V297-W667 HydrophobicContact CG1-CH2 4.31Å; V297-W667 HydrophobicContact CG1-CZ2 3.52Å; V297-W667 HydrophobicContact CG2-CZ2 3.71Å; V340-W667 HydrophobicContact CG1-CB 3.53Å; V340-W667 HydrophobicContact CG1-CD2 3.96Å; V340-W667 HydrophobicContact CG1-CG 3.55Å; V341-W667 HydrophobicContact CG2-CH2 4.35Å; P665-W667 PolarHBondContact O-N 2.66Å; P665-W667 VanDerWaalsContact O-N 3.15Å; W667-R669 VanDerWaalsContact C-N 3.25Å; W667-R669 PolarHBondContact O-N 3.34Å; W667-L670 PolarHBondContact O-N 3.07Å; W667-F671 HydrophobicContact CB-CD2 4.42Å; W667-F671 HydrophobicContact CD2-CE2 4.18Å; W667-F671 AromaticContact CE3-CD2 3.64Å; W667-F671 HydrophobicContact CE3-CD2 3.64Å; W667-F671 AromaticContact CE3-CE2 3.22Å; W667-F671 HydrophobicContact CE3-CE2 3.22Å; W667-F671 HydrophobicContact CE3-CZ 4.28Å; W667-F671 HydrophobicContact CZ3-CD2 4.28Å; W667-F671 AromaticContact CZ3-CE2 3.54Å; W667-F671 HydrophobicContact CZ3-CE2 3.54Å; W667-F671 HydrophobicContact CZ3-CZ 4.19Å; W667-F671 WeakPolarHBondContact O-CB 3.45Å; W667-F671 WeakPolarHBondContact O-CD2 3.34Å; W667-F671 PolarHBondContact O-N 3.37Å
668	S	33.4	Very low	28.6	Very low	89 Å²	89	109.1 Å²	109.1	62%	0.622	59%	0.589	S	S	*	*	H	α-helix	trans	-61.7	-29.5	175.8	59.5	0	0	0	0	114	P665 I666 S672	P665-S668 PolarHBondContact O-OG 3.05Å; I666-S668 PolarHBondContact O-N 3.47Å; I666-S668 VanDerWaalsContact O-N 3.15Å; S668-S672 PolarHBondContact O-OG 2.97Å; S668-S672 VanDerWaalsContact O-OG 3.13Å
669	R	27.2	Very low	28.7	Very low	198 Å²	198	107.8 Å²	107.8	75%	0.747	59%	0.589	S	S	*	*	H	α-helix	trans	-87.7	-35.6	-179.2	-76.5	-176.6	175.8	164.1	-0.9	113.7	I666 W667 S672 T673	I666-R669 PolarHBondContact O-N 3.17Å; W667-R669 VanDerWaalsContact C-N 3.25Å; W667-R669 PolarHBondContact O-N 3.34Å; R669-S672 PolarHBondContact O-OG 3.44Å; R669-S672 VanDerWaalsContact O-OG 3.05Å; R669-T673 PolarHBondContact O-OG1 2.9Å
670	L	31.2	Very low	28.7	Very low	37 Å²	37	111.1 Å²	111.1	19%	0.194	59%	0.592	C	S	.	*	H	α-helix	trans	-72.1	-39.8	175.2	-80.1	166.5	0	0	0	111.4	Y301 I666 W667 S672 T673 F674	Y301-L670 HydrophobicContact CD2-CD1 4.13Å; Y301-L670 HydrophobicContact CE2-CD1 4.04Å; Y301-L670 HydrophobicContact CE2-CD2 3.93Å; I666-L670 HydrophobicContact CG2-CD1 3.86Å; I666-L670 HydrophobicContact CG2-CG 4.25Å; I666-L670 PolarHBondContact O-N 3.26Å; W667-L670 PolarHBondContact O-N 3.07Å; L670-S672 PolarHBondContact O-N 2.95Å; L670-T673 PolarHBondContact O-N 2.91Å; L670-T673 PolarHBondContact O-OG1 3.35Å; L670-T673 VanDerWaalsContact O-OG1 3.05Å; L670-F674 WeakPolarHBondContact O-CD2 3.39Å; L670-F674 PolarHBondContact O-N 2.93Å
671	F	36.1	Very low	28.8	Very low	47 Å²	47	111 Å²	111	21%	0.206	59%	0.585	C	S	.	*	H	α-helix	trans	-65	-38.9	177.8	-89.8	-79.5	0	0	0	112.4	V340 A344 W667 T673 F674 W675	V340-F671 HydrophobicContact CG1-CE2 4.34Å; A344-F671 HydrophobicContact CB-CD1 4.28Å; A344-F671 HydrophobicContact CB-CE1 4.05Å; A344-F671 HydrophobicContact CB-CZ 4.24Å; W667-F671 HydrophobicContact CB-CD2 4.42Å; W667-F671 HydrophobicContact CD2-CE2 4.18Å; W667-F671 AromaticContact CE3-CD2 3.64Å; W667-F671 HydrophobicContact CE3-CD2 3.64Å; W667-F671 AromaticContact CE3-CE2 3.22Å; W667-F671 HydrophobicContact CE3-CE2 3.22Å; W667-F671 HydrophobicContact CE3-CZ 4.28Å; W667-F671 HydrophobicContact CZ3-CD2 4.28Å; W667-F671 AromaticContact CZ3-CE2 3.54Å; W667-F671 HydrophobicContact CZ3-CE2 3.54Å; W667-F671 HydrophobicContact CZ3-CZ 4.19Å; W667-F671 WeakPolarHBondContact O-CB 3.45Å; W667-F671 WeakPolarHBondContact O-CD2 3.34Å; W667-F671 PolarHBondContact O-N 3.37Å; F671-T673 VanDerWaalsContact C-N 3.27Å; F671-T673 PolarHBondContact O-N 3.18Å; F671-F674 PolarHBondContact O-N 3.32Å; F671-W675 AromaticContact CD1-CD1 3.82Å; F671-W675 HydrophobicContact CD1-CG 4.46Å; F671-W675 AromaticContact CD1-NE1 3.73Å; F671-W675 AromaticContact CE1-NE1 3.97Å; F671-W675 WeakPolarHBondContact O-CA 3.23Å; F671-W675 WeakPolarHBondContact O-CB 3.36Å; F671-W675 PolarHBondContact O-N 3.38Å
672	S	30.6	Very low	28.7	Very low	72 Å²	72	109.1 Å²	109.1	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-66.7	-24.6	178.3	50.3	0	0	0	0	114.3	S668 R669 L670 S676	S668-S672 PolarHBondContact O-OG 2.97Å; S668-S672 VanDerWaalsContact O-OG 3.13Å; R669-S672 PolarHBondContact O-OG 3.44Å; R669-S672 VanDerWaalsContact O-OG 3.05Å; L670-S672 PolarHBondContact O-N 2.95Å; S672-S676 PolarHBondContact O-N 2.82Å; S672-S676 VanDerWaalsContact O-N 3.16Å; S672-S676 PolarHBondContact O-OG 3.34Å
673	T	28.9	Very low	28.9	Very low	97 Å²	97	106.5 Å²	106.5	60%	0.595	57%	0.573	S	S	*	*	H	α-helix	trans	-82.9	-31.3	176.2	19.6	0	0	0	0	113.1	R669 L670 F671 S676	R669-T673 PolarHBondContact O-OG1 2.9Å; L670-T673 PolarHBondContact O-N 2.91Å; L670-T673 PolarHBondContact O-OG1 3.35Å; L670-T673 VanDerWaalsContact O-OG1 3.05Å; F671-T673 VanDerWaalsContact C-N 3.27Å; F671-T673 PolarHBondContact O-N 3.18Å; T673-S676 PolarHBondContact O-OG 2.99Å
674	F	32.6	Very low	28.8	Very low	140 Å²	140	106.5 Å²	106.5	61%	0.614	57%	0.573	S	S	*	*	H	α-helix	trans	-84.1	-30.6	172.6	-80.7	-82.2	0	0	0	113.1	F274 L670 F671	F274-F674 HydrophobicContact CD2-CZ 4.21Å; L670-F674 WeakPolarHBondContact O-CD2 3.39Å; L670-F674 PolarHBondContact O-N 2.93Å; F671-F674 PolarHBondContact O-N 3.32Å
675	W	30.6	Very low	28.4	Very low	60 Å²	60	109.4 Å²	109.4	23%	0.227	58%	0.581	C	S	.	*	S	Bend	trans	-99.7	15.4	-179.5	-72.6	46.9	0	0	0	113.1	P345 I348 F671 N677 L843	P345-W675 HydrophobicContact CB-CH2 3.91Å; P345-W675 HydrophobicContact CG-CH2 4.08Å; P345-W675 HydrophobicContact CG-CZ2 4.31Å; I348-W675 HydrophobicContact CB-CZ3 3.87Å; I348-W675 HydrophobicContact CD1-CD2 4.42Å; I348-W675 HydrophobicContact CD1-CE3 3.25Å; I348-W675 HydrophobicContact CD1-CH2 4.36Å; I348-W675 HydrophobicContact CD1-CZ3 3.23Å; I348-W675 HydrophobicContact CG1-CE3 3.96Å; I348-W675 HydrophobicContact CG1-CZ3 3.53Å; F671-W675 AromaticContact CD1-CD1 3.82Å; F671-W675 HydrophobicContact CD1-CG 4.46Å; F671-W675 AromaticContact CD1-NE1 3.73Å; F671-W675 AromaticContact CE1-NE1 3.97Å; F671-W675 WeakPolarHBondContact O-CA 3.23Å; F671-W675 WeakPolarHBondContact O-CB 3.36Å; F671-W675 PolarHBondContact O-N 3.38Å; W675-N677 PolarHBondContact O-N 3.33Å; W675-L843 HydrophobicContact CH2-CD1 4.04Å; W675-L843 HydrophobicContact CZ2-CD1 4.45Å
676	S	27.2	Very low	27.9	Very low	77 Å²	77	111 Å²	111	54%	0.538	60%	0.595	S	S	.	*			trans	-58.2	106.1	167.9	-34.4	0	0	0	0	107.4	S672 T673	S672-S676 PolarHBondContact O-N 2.82Å; S672-S676 VanDerWaalsContact O-N 3.16Å; S672-S676 PolarHBondContact O-OG 3.34Å; T673-S676 PolarHBondContact O-OG 2.99Å
677	N	23.6	Very low	27.2	Very low	120 Å²	120	116.5 Å²	116.5	64%	0.642	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-46.7	123.4	-176.9	-78.7	-41.1	0	0	0	109.9	W675	W675-N677 PolarHBondContact O-N 3.33Å
678	P	26.7	Very low	26.9	Very low	111 Å²	111	123 Å²	123	72%	0.721	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-57.8	140.7	157.8	26	-29.3	0	0	0	107.1	K680	P678-K680 PolarHBondContact O-N 2.86Å
679	P	24.2	Very low	26.4	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-53.5	134.8	-169.3	19.4	-30.6	0	0	0	110.5	L681	P679-L681 PolarHBondContact O-N 3.39Å
680	K	22.9	Very low	26.2	Very low	200 Å²	200	126.1 Å²	126.1	87%	0.87	66%	0.662	S	S	*	*			trans	-46.2	109.4	178.4	-73.8	-178.5	176	-178.3	0	109.3	P678 D682	P678-K680 PolarHBondContact O-N 2.86Å; K680-D682 PolarHBondContact O-N 2.82Å; K680-D682 VanDerWaalsContact O-N 3.15Å
681	L	23.1	Very low	25.8	Very low	138 Å²	138	132.5 Å²	132.5	72%	0.723	70%	0.695	S	S	*	*			trans	-76.3	97.6	169.8	-141.1	88.9	0	0	0	106.3	P679 L683	P679-L681 PolarHBondContact O-N 3.39Å; L681-L683 HydrophobicContact CD2-CD2 4.22Å; L681-L683 HydrophobicContact CD2-CG 4.19Å; L681-L683 PolarHBondContact O-N 2.83Å
682	D	22.8	Very low	25.2	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	71%	0.711	S	S	*	*			trans	-72.8	93.7	177.3	-140	-10.6	0	0	0	108.3	K680 N684	K680-D682 PolarHBondContact O-N 2.82Å; K680-D682 VanDerWaalsContact O-N 3.15Å; D682-N684 PolarHBondContact O-N 3.36Å
683	L	27.1	Very low	24.8	Very low	136 Å²	136	138.7 Å²	138.7	71%	0.712	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	9.1	-167.9	-88.6	152.8	0	0	0	114.6	L681	L681-L683 HydrophobicContact CD2-CD2 4.22Å; L681-L683 HydrophobicContact CD2-CG 4.19Å; L681-L683 PolarHBondContact O-N 2.83Å
684	N	23.1	Very low	24.6	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	7.5	-176.1	-83	-7	0	0	0	115.8	D682	D682-N684 PolarHBondContact O-N 3.36Å
685	N	23.4	Very low	24.1	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	76%	0.757	S	S	*	*			trans	-117.6	85.6	169.5	-85.7	-33.2	0	0	0	111.3	K687	N685-K687 VanDerWaalsContact C-N 3.26Å; N685-K687 PolarHBondContact O-N 3.32Å
686	S	24.5	Very low	23.7	Very low	120 Å²	120	154.5 Å²	154.5	84%	0.839	79%	0.787	S	S	*	*			trans	-67.2	76.4	166.7	43.7	0	0	0	0	111.1
687	K	22.7	Very low	23.6	Very low	192 Å²	192	161.2 Å²	161.2	84%	0.835	80%	0.802	S	S	*	*	S	Bend	trans	-134.5	105.1	159.3	-76.4	-170	178.2	179	0	109.6	N685 L689	N685-K687 VanDerWaalsContact C-N 3.26Å; N685-K687 PolarHBondContact O-N 3.32Å; K687-L689 PolarHBondContact O-N 2.6Å
688	E	23.3	Very low	23.7	Very low	182 Å²	182	160.9 Å²	160.9	85%	0.85	81%	0.809	S	S	*	*			trans	20.5	83	158.9	-66.7	-176.2	152.7	0	0	115.5	K690	E688-K690 VanDerWaalsContact C-N 3.29Å; E688-K690 PolarHBondContact O-N 3.46Å
689	L	23.2	Very low	23.4	Very low	165 Å²	165	161.7 Å²	161.7	86%	0.864	81%	0.807	S	S	*	*			trans	-69.1	89	171.6	-115.9	142.9	0	0	0	108.9	K687 I691	K687-L689 PolarHBondContact O-N 2.6Å; L689-I691 PolarHBondContact O-N 3.19Å; L689-I691 VanDerWaalsContact O-N 3.09Å
690	K	21.6	Very low	23.3	Very low	186 Å²	186	163.9 Å²	163.9	81%	0.809	81%	0.811	S	S	*	*			trans	-55.4	112.3	169.5	-76.4	-178.7	177.4	177	0	108.8	E688 G692	E688-K690 VanDerWaalsContact C-N 3.29Å; E688-K690 PolarHBondContact O-N 3.46Å; K690-G692 VanDerWaalsContact C-N 3.35Å; K690-G692 PolarHBondContact O-N 2.59Å
691	I	24.6	Very low	23.3	Very low	172 Å²	172	159.8 Å²	159.8	88%	0.882	80%	0.803	S	S	*	*	S	Bend	trans	-62.9	91.9	-179.7	-61	164.7	0	0	0	108.4	L689	L689-I691 PolarHBondContact O-N 3.19Å; L689-I691 VanDerWaalsContact O-N 3.09Å
692	G	22.3	Very low	23.3	Very low	53 Å²	53	158.5 Å²	158.5	55%	0.546	79%	0.794	S	S	.	*			trans	-156	32.7	-170.8	0	0	0	0	0	114.6	K690	K690-G692 VanDerWaalsContact C-N 3.35Å; K690-G692 PolarHBondContact O-N 2.59Å
693	H	22.5	Very low	23.4	Very low	195 Å²	195	154.7 Å²	154.7	90%	0.903	78%	0.78	S	S	*	*			trans	-150.7	25.9	170.6	-92.7	-64.7	0	0	0	115.9	R695	H693-R695 PolarHBondContact O-N 2.9Å
694	L	24.4	Very low	23.6	Very low	165 Å²	165	153 Å²	153	86%	0.864	78%	0.777	S	S	*	*			trans	-95.2	62.4	168.9	-79.4	159	0	0	0	110.9
695	R	22.3	Very low	23.7	Very low	240 Å²	240	152.8 Å²	152.8	91%	0.906	78%	0.775	S	S	*	*			trans	-115	82.4	170.3	-133.9	-169.3	-167.1	-171.7	3.9	107.6	H693	H693-R695 PolarHBondContact O-N 2.9Å
696	R	22.5	Very low	23.9	Very low	224 Å²	224	152.5 Å²	152.5	85%	0.845	76%	0.763	S	S	*	*			trans	161.1	92.9	164.4	-96.1	175.7	-160.6	168.1	5.3	107
697	Y	24.4	Very low	24	Very low	218 Å²	218	152.9 Å²	152.9	86%	0.855	76%	0.756	S	S	*	*			trans	-172	47.1	148.2	-78	-58.3	0	0	0	108.5
698	S	25	Very low	24.1	Very low	114 Å²	114	149 Å²	149	80%	0.797	75%	0.749	S	S	*	*	S	Bend	trans	-102.7	-1	162.7	55.6	0	0	0	0	112.3
699	N	21.2	Very low	24.1	Very low	127 Å²	127	150.1 Å²	150.1	68%	0.679	75%	0.746	S	S	*	*			trans	-122.3	94.3	169.8	-67.4	-9	0	0	0	107.5	T701	N699-T701 PolarHBondContact O-N 3.48Å
700	I	23.3	Very low	24.3	Very low	163 Å²	163	151.6 Å²	151.6	84%	0.836	75%	0.746	S	S	*	*			trans	-68.7	76.5	145.4	-60.8	173.2	0	0	0	104.2	M702	I700-M702 PolarHBondContact O-N 3.46Å
701	T	21	Very low	24.4	Very low	113 Å²	113	150.7 Å²	150.7	69%	0.693	75%	0.745	S	S	*	*			trans	-65.5	118.7	158.6	-20.1	0	0	0	0	104	N699 S703	N699-T701 PolarHBondContact O-N 3.48Å; T701-S703 PolarHBondContact O-N 3.44Å; T701-S703 VanDerWaalsContact O-N 3.14Å
702	M	23.7	Very low	24.4	Very low	111 Å²	111	149.3 Å²	149.3	55%	0.547	74%	0.739	S	S	.	*			trans	-41	124.2	166.2	-79	-79	-84.3	0	0	108.1	I700 Y706	I700-M702 PolarHBondContact O-N 3.46Å; M702-Y706 HydrophobicContact CE-CD1 3.65Å; M702-Y706 HydrophobicContact CE-CD2 3.42Å; M702-Y706 VanDerWaalsContact CE-CD2 3.42Å; M702-Y706 HydrophobicContact CE-CE1 4.21Å; M702-Y706 HydrophobicContact CE-CE2 4Å; M702-Y706 HydrophobicContact CE-CG 3.21Å; M702-Y706 HydrophobicContact SD-CD2 4.33Å
703	S	24.3	Very low	25	Very low	71 Å²	71	152.9 Å²	152.9	50%	0.497	75%	0.753	S	S	.	*			trans	-48.6	140.8	170.4	168.6	0	0	0	0	109.1	T701 L705 Y706	T701-S703 PolarHBondContact O-N 3.44Å; T701-S703 VanDerWaalsContact O-N 3.14Å; S703-L705 PolarHBondContact O-N 2.86Å; S703-Y706 PolarHBondContact O-N 3.1Å
704	P	31.9	Very low	25.2	Very low	100 Å²	100	152 Å²	152	65%	0.649	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-2	-173.1	-17.5	29.4	0	0	0	114.9	Y706 T708	P704-Y706 PolarHBondContact O-N 2.87Å; P704-T708 PolarHBondContact O-OG1 3.28Å
705	L	25.4	Very low	25.3	Very low	141 Å²	141	151.9 Å²	151.9	74%	0.738	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-11.2	175.2	-75.5	165.3	0	0	0	113.7	S703	S703-L705 PolarHBondContact O-N 2.86Å
706	Y	27.7	Very low	25.4	Very low	150 Å²	150	149.6 Å²	149.6	59%	0.588	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-26.1	177	-93.4	-85.1	0	0	0	115.1	M702 S703 P704	M702-Y706 HydrophobicContact CE-CD1 3.65Å; M702-Y706 HydrophobicContact CE-CD2 3.42Å; M702-Y706 VanDerWaalsContact CE-CD2 3.42Å; M702-Y706 HydrophobicContact CE-CE1 4.21Å; M702-Y706 HydrophobicContact CE-CE2 4Å; M702-Y706 HydrophobicContact CE-CG 3.21Å; M702-Y706 HydrophobicContact SD-CD2 4.33Å; S703-Y706 PolarHBondContact O-N 3.1Å; P704-Y706 PolarHBondContact O-N 2.87Å
707	D	26.2	Very low	25.6	Very low	128 Å²	128	143.8 Å²	143.8	68%	0.684	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-83.3	-16.3	-175.2	-76.4	-25.1	0	0	0	113.8	Y709	D707-Y709 VanDerWaalsContact C-N 3.31Å; D707-Y709 PolarHBondContact O-N 3.45Å
708	T	25.1	Very low	25.6	Very low	112 Å²	112	141.2 Å²	141.2	69%	0.687	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-79.4	-6.8	-177.6	-9.9	0	0	0	0	114.8	P704	P704-T708 PolarHBondContact O-OG1 3.28Å
709	Y	24.5	Very low	25.6	Very low	204 Å²	204	140.7 Å²	140.7	80%	0.8	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-100.3	-6	-175.9	-97.1	-82.5	0	0	0	115.6	D707	D707-Y709 VanDerWaalsContact C-N 3.31Å; D707-Y709 PolarHBondContact O-N 3.45Å
710	F	25.8	Very low	25.8	Very low	197 Å²	197	140 Å²	140	86%	0.864	74%	0.736	S	S	*	*	S	Bend	trans	-115.6	14.5	177	-79.9	-75	0	0	0	114.9
711	Q	24.3	Very low	25.9	Very low	166 Å²	166	139.4 Å²	139.4	78%	0.776	74%	0.735	S	S	*	*			trans	-112.8	66.7	168.9	-68.7	-169	-4.4	0	0	111.6
712	N	24.9	Very low	26.1	Very low	143 Å²	143	141.5 Å²	141.5	77%	0.765	74%	0.741	S	S	*	*			trans	-157.7	100.2	150	-111.1	-29.4	0	0	0	110.8	K714	N712-K714 PolarHBondContact O-N 2.89Å
713	P	34.5	Very low	26	Very low	128 Å²	128	146.3 Å²	146.3	83%	0.831	76%	0.755	S	S	*	*			trans	-74	25.5	-179.6	-13.9	29.2	0	0	0	114.9
714	K	26.2	Very low	25.9	Very low	177 Å²	177	154.1 Å²	154.1	77%	0.77	77%	0.773	S	S	*	*			trans	-130.4	74	-176.8	-70.6	-171.8	178.2	-178	0	110.5	N712	N712-K714 PolarHBondContact O-N 2.89Å
715	D	27	Very low	25.5	Very low	162 Å²	162	158.1 Å²	158.1	87%	0.866	79%	0.788	S	S	*	*			trans	-158.6	81.3	143.9	-93	-28.2	0	0	0	108.6	S717	D715-S717 PolarHBondContact O-N 2.89Å
716	Q	25.2	Very low	25.4	Very low	193 Å²	193	155.8 Å²	155.8	90%	0.902	78%	0.784	S	S	*	*			trans	-71.5	101.2	160.6	-72.6	179	-13	0	0	108.2
717	S	26.5	Very low	25.1	Very low	102 Å²	102	157.1 Å²	157.1	71%	0.713	80%	0.796	S	S	*	*			trans	-164.2	89.1	142.3	50.5	0	0	0	0	109.3	D715 P719	D715-S717 PolarHBondContact O-N 2.89Å; S717-P719 WeakPolarHBondContact O-CD 3.35Å
718	M	23.7	Very low	24.8	Very low	164 Å²	164	159 Å²	159	81%	0.808	81%	0.805	S	S	*	*			trans	-60.3	122.4	157.8	-85.6	-103.3	94.5	0	0	107.5	S720	M718-S720 PolarHBondContact O-N 3.15Å
719	P	24.6	Very low	24.8	Very low	103 Å²	103	158.4 Å²	158.4	67%	0.669	81%	0.806	S	S	*	*			trans	-63.4	124.6	171.9	-16.9	30.1	0	0	0	109	S717 N721	S717-P719 WeakPolarHBondContact O-CD 3.35Å; P719-N721 PolarHBondContact O-N 3.15Å
720	S	26.2	Very low	24.6	Very low	112 Å²	112	157.6 Å²	157.6	78%	0.783	81%	0.809	S	S	*	*	S	Bend	trans	-69.1	29.3	-171.6	40.6	0	0	0	0	115.9	M718	M718-S720 PolarHBondContact O-N 3.15Å
721	N	26.5	Very low	24.5	Very low	151 Å²	151	156.2 Å²	156.2	81%	0.807	80%	0.803	S	S	*	*			trans	-104.2	16.2	-180	-72.3	-19.5	0	0	0	114.8	P719	P719-N721 PolarHBondContact O-N 3.15Å
722	L	23.9	Very low	24.2	Very low	157 Å²	157	155.7 Å²	155.7	82%	0.822	81%	0.805	S	S	*	*	S	Bend	trans	-100.3	6.7	173.6	-90.1	161.2	0	0	0	115.2
723	Y	22.5	Very low	24.2	Very low	212 Å²	212	157.1 Å²	157.1	83%	0.831	81%	0.806	S	S	*	*	S	Bend	trans	-107.6	71.3	165.5	-100.4	-87.9	0	0	0	110.3
724	R	22	Very low	23.6	Very low	234 Å²	234	159.9 Å²	159.9	88%	0.883	81%	0.806	S	S	*	*	S	Bend	trans	-160.1	20.4	161.9	-127.4	-179.4	-99.8	169.4	-7	118
725	L	22.5	Very low	23.3	Very low	184 Å²	184	156.1 Å²	156.1	96%	0.963	80%	0.802	S	S	*	*	S	Bend	trans	-124.8	35.1	171.8	-75.5	169.9	0	0	0	113.1
726	S	23.8	Very low	23.1	Very low	93 Å²	93	154.1 Å²	154.1	65%	0.65	80%	0.797	S	S	*	*	S	Bend	trans	-139.1	50.2	169	71.5	0	0	0	0	111.4
727	E	21.6	Very low	22.7	Very low	178 Å²	178	154.1 Å²	154.1	83%	0.832	79%	0.794	S	S	*	*			trans	-170	90.2	168.5	-109.7	165.1	-142.6	0	0	108.2
728	N	20.5	Very low	22.3	Very low	166 Å²	166	161 Å²	161	89%	0.888	81%	0.805	S	S	*	*			trans	164.5	89	146.6	-85	-21	0	0	0	110.4
729	S	24	Very low	22.2	Very low	101 Å²	101	160.7 Å²	160.7	71%	0.706	81%	0.806	S	S	*	*			trans	-176	79	133.3	58	0	0	0	0	109	F731	S729-F731 PolarHBondContact O-N 2.59Å
730	H	21.2	Very low	21.9	Very low	187 Å²	187	165.4 Å²	165.4	87%	0.866	82%	0.816	S	S	*	*			trans	-63.7	90.7	153.6	-82.9	-81.4	0	0	0	108.1
731	F	22.2	Very low	21.6	Very low	168 Å²	168	164.8 Å²	164.8	74%	0.737	81%	0.812	S	S	*	*			trans	-112.7	97.5	160.1	-89.7	-81.8	0	0	0	108.5	S729 H733	S729-F731 PolarHBondContact O-N 2.59Å; F731-H733 PolarHBondContact O-N 3.01Å
732	L	19.7	Very low	21.4	Very low	154 Å²	154	166 Å²	166	81%	0.806	81%	0.813	S	S	*	*			trans	-58.6	98	160.3	-86.5	100.3	0	0	0	108.5	K734	L732-K734 PolarHBondContact O-N 2.96Å
733	H	24	Very low	21.1	Very low	173 Å²	173	168.7 Å²	168.7	80%	0.801	82%	0.818	S	S	*	*			trans	-91.4	101.8	162.1	-101	-79.1	0	0	0	109.8	F731	F731-H733 PolarHBondContact O-N 3.01Å
734	K	21.1	Very low	21.2	Very low	187 Å²	187	161.9 Å²	161.9	81%	0.813	81%	0.812	S	S	*	*			trans	-53	131.3	170.7	-71.1	172.2	176.7	171.4	0	110.3	L732	L732-K734 PolarHBondContact O-N 2.96Å
735	S	20	Very low	21.1	Very low	98 Å²	98	160.6 Å²	160.6	69%	0.685	81%	0.813	S	S	*	*			trans	-49.7	138.9	167.2	50.2	0	0	0	0	112.5	K737	S735-K737 PolarHBondContact O-N 3.38Å
736	P	22.7	Very low	21.1	Very low	119 Å²	119	159.1 Å²	159.1	77%	0.773	81%	0.806	S	S	*	*			trans	-70.9	113.6	179.2	-7.4	23	0	0	0	110.1	W738	P736-W738 PolarHBondContact O-N 3.29Å
737	K	18.7	Very low	21.9	Very low	193 Å²	193	159.1 Å²	159.1	84%	0.839	80%	0.803	S	S	*	*			trans	-70.5	119.3	166.7	-75.7	-176.7	175.3	-178.3	0	108.6	S735 N739	S735-K737 PolarHBondContact O-N 3.38Å; K737-N739 PolarHBondContact O-N 2.75Å
738	W	18.1	Very low	21.9	Very low	247 Å²	247	157 Å²	157	94%	0.936	80%	0.798	S	S	*	*			trans	-66.9	113.1	169.9	-80.7	27.9	0	0	0	109.8	P736 K740	P736-W738 PolarHBondContact O-N 3.29Å; W738-K740 PolarHBondContact O-N 3.33Å
739	N	20.7	Very low	22	Very low	157 Å²	157	156.5 Å²	156.5	84%	0.84	79%	0.79	S	S	*	*			trans	-71.1	119.8	171.2	-82.9	-16.2	0	0	0	109.9	K737	K737-N739 PolarHBondContact O-N 2.75Å
740	K	17.7	Very low	21.9	Very low	202 Å²	202	158.7 Å²	158.7	88%	0.878	79%	0.794	S	S	*	*			trans	-100.9	116.2	162.1	-81.5	-178.3	173.7	178.6	0	108.5	W738	W738-K740 PolarHBondContact O-N 3.33Å
741	S	21	Very low	22	Very low	100 Å²	100	158.8 Å²	158.8	70%	0.699	80%	0.795	S	S	*	*			trans	169	132.5	161.1	48.1	0	0	0	0	105.7
742	E	21.6	Very low	22.1	Very low	176 Å²	176	159.1 Å²	159.1	82%	0.822	80%	0.804	S	S	*	*			cis	-165.3	132.9	16.9	-98	159.8	166.1	0	0	105.3
743	K	18.2	Very low	22.3	Very low	214 Å²	214	160.7 Å²	160.7	93%	0.93	81%	0.807	S	S	*	*				47.4	105.4	101	-81.4	-172	176.6	178.9	0	117.2
744	G	23.9	Very low	22.3	Very low	68 Å²	68	158.3 Å²	158.3	70%	0.701	81%	0.809	S	S	*	*			trans	-171.3	106.6	146.9	0	0	0	0	0	107.9
745	K	20.1	Very low	22.5	Very low	207 Å²	207	155.4 Å²	155.4	90%	0.9	81%	0.807	S	S	*	*				49.8	129.8	89.7	-74.2	-171.9	177.2	-177.1	0	111.8
746	N	22.4	Very low	22.8	Very low	154 Å²	154	156.7 Å²	156.7	82%	0.824	81%	0.813	S	S	*	*			cis	-169.7	-176.1	-0.5	-137.2	22.7	0	0	0	105.8
747	P	40.5	Very low	23.1	Very low	92 Å²	92	158.4 Å²	158.4	60%	0.597	81%	0.814	S	S	*	*			trans	-91.1	163.9	-145.9	39.9	-40.3	0	0	0	115.4
748	D	21.4	Very low	23.7	Very low	135 Å²	135	152.8 Å²	152.8	72%	0.722	80%	0.799	S	S	*	*				175.7	139.8	117.4	-91.6	-21.4	0	0	0	113.5
749	H	22.9	Very low	24.6	Very low	155 Å²	155	150 Å²	150	72%	0.718	79%	0.793	S	S	*	*			trans	65.9	109.9	152.2	-67.5	-57.8	0	0	0	123.1
750	N	20.9	Very low	25.5	Very low	147 Å²	147	147.2 Å²	147.2	79%	0.786	78%	0.775	S	S	*	*				34.2	104.4	128.1	-63.8	-8.9	0	0	0	118.7
751	E	24.3	Very low	27.2	Very low	188 Å²	188	139.8 Å²	139.8	88%	0.879	75%	0.747	S	S	*	*				-146	136.4	129	-70.1	-163.8	156.3	0	0	108.7	E753	E751-E753 PolarHBondContact O-N 2.78Å
752	D	23.8	Very low	29.1	Very low	175 Å²	175	145.6 Å²	145.6	94%	0.936	75%	0.754	S	S	*	*			trans	-62.3	89.9	179.3	-69.3	-57.5	0	0	0	111.3	C754	D752-C754 PolarHBondContact O-N 2.67Å
753	E	25	Very low	31.1	Very low	187 Å²	187	138.8 Å²	138.8	87%	0.874	72%	0.721	S	S	*	*			trans	-80.9	108.9	168.4	-83.8	-169.2	156.2	0	0	110.4	E751 T755	E751-E753 PolarHBondContact O-N 2.78Å; E753-T755 PolarHBondContact O-N 3.27Å
754	C	23.7	Very low	33.2	Very low	123 Å²	123	131 Å²	131	83%	0.831	69%	0.692	S	S	*	*			trans	-25.4	120.8	159.6	-87.6	0	0	0	0	112.8	D752	D752-C754 PolarHBondContact O-N 2.67Å
755	T	24.9	Very low	34.9	Very low	126 Å²	126	133.1 Å²	133.1	77%	0.773	69%	0.694	S	S	*	*			trans	-44.8	129.1	165.9	43.1	0	0	0	0	110.6	E753 I757	E753-T755 PolarHBondContact O-N 3.27Å; T755-I757 PolarHBondContact O-N 2.86Å; T755-I757 VanDerWaalsContact O-N 3.13Å
756	P	26.9	Very low	37	Very low	125 Å²	125	124.7 Å²	124.7	81%	0.812	66%	0.659	S	S	*	*			trans	-61.7	121.4	-179.3	-15.7	26.9	0	0	0	109.3	S758	P756-S758 PolarHBondContact O-N 3.23Å
757	I	28.1	Very low	39	Very low	156 Å²	156	122.7 Å²	122.7	80%	0.8	65%	0.649	S	S	*	*			trans	-43.7	123.4	169.3	-64.5	166	0	0	0	108.2	T755 K759	T755-I757 PolarHBondContact O-N 2.86Å; T755-I757 VanDerWaalsContact O-N 3.13Å; I757-K759 PolarHBondContact O-N 2.65Å
758	S	31.1	Very low	40.4	Very low	75 Å²	75	119.1 Å²	119.1	52%	0.524	63%	0.625	S	S	.	*			trans	-34.1	113.1	171.3	174.5	0	0	0	0	109.9	P756 H760	P756-S758 PolarHBondContact O-N 3.23Å; S758-H760 PolarHBondContact O-N 3.38Å
759	K	36.5	Very low	42.5	Very low	187 Å²	187	112.7 Å²	112.7	81%	0.813	59%	0.59	S	S	*	*			trans	-63.6	109	175.6	-74.7	-179.4	178.9	175	0	106.6	I757	I757-K759 PolarHBondContact O-N 2.65Å
760	H	40	Very low	44.6	Very low	100 Å²	100	110 Å²	110	46%	0.463	57%	0.574	S	S	.	*			trans	-41.6	137	170.3	-75.8	-58.5	0	0	0	110.3	S758 R762	S758-H760 PolarHBondContact O-N 3.38Å; H760-R762 PolarHBondContact O-N 3.09Å
761	P	53.8	Low	47	Very low	45 Å²	45	104.4 Å²	104.4	29%	0.292	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-56.2	116.7	177.2	20.7	-29.4	0	0	0	108.3	L237 Y241	L237-P761 HydrophobicContact CD2-CG 4.05Å; L237-P761 HydrophobicContact CG-CG 4.46Å; Y241-P761 WeakPolarHBondContact CE2-O 3.16Å
762	R	61.2	Low	49.2	Very low	222 Å²	222	97.2 Å²	97.2	84%	0.838	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-81	140.5	175.3	-70.2	-174.5	178.1	-174.7	-2.5	108.5	H760	H760-R762 PolarHBondContact O-N 3.09Å
763	R	63.3	Low	51.1	Low	33 Å²	33	92.7 Å²	92.7	13%	0.125	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-55.1	129.5	171.5	-76.5	175	-176.5	164.4	11.7	109.7	F200 D202 Y241 E244 R772 N773	F200-R763 PolarHBondContact O-NH2 2.79Å; F200-R763 VanDerWaalsContact O-NH2 3.15Å; D202-R763 IonicContact OD2-CZ 3.98Å; D202-R763 IonicContact OD2-NH1 3.35Å; D202-R763 IonicContact OD2-NH2 4Å; D202-R763 PolarHBondContact OD2-NH2 3.3Å; Y241-R763 HydrophobicContact CD1-CG 3.54Å; Y241-R763 HydrophobicContact CD2-CG 3.98Å; Y241-R763 HydrophobicContact CE1-CG 3.32Å; Y241-R763 VanDerWaalsContact CE1-NE 3.26Å; Y241-R763 HydrophobicContact CE2-CG 3.74Å; Y241-R763 HydrophobicContact CG-CG 3.88Å; E244-R763 IonicContact OE2-NE 3.71Å; R763-R772 PolarHBondContact NH1-O 3.21Å; R763-N773 WeakPolarHBondContact CD-OD1 3.37Å; R763-N773 PolarHBondContact NH1-OD1 3.49Å
764	P	62.7	Low	53.3	Low	50 Å²	50	85 Å²	85	33%	0.325	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-67.5	145.4	176.8	25.9	-33	0	0	0	111.3	V245 T766 N769	V245-P764 HydrophobicContact CG2-CB 4.28Å; V245-P764 HydrophobicContact CG2-CG 3.28Å; P764-T766 PolarHBondContact O-N 3.42Å; P764-T766 VanDerWaalsContact O-N 3.13Å; P764-N769 PolarHBondContact O-ND2 3.41Å
765	P	59.4	Low	55.4	Low	114 Å²	114	82.8 Å²	82.8	74%	0.74	43%	0.426	S	S	*	.			trans	-77.9	100.6	-174.6	30.7	-33.5	0	0	0	111.4
766	T	64.2	Low	57.7	Low	29 Å²	29	77 Å²	77	18%	0.178	39%	0.391	C	S	.	.			trans	-109.7	163.5	163.5	68.5	0	0	0	0	109.6	V245 D248 P764 L768 N769 R770	V245-T766 HydrophobicContact CG2-CG2 4.14Å; D248-T766 HydrophobicContact CB-CG2 4.45Å; D248-T766 WeakPolarHBondContact OD2-CB 3.16Å; D248-T766 PolarHBondContact OD2-OG1 2.95Å; P764-T766 PolarHBondContact O-N 3.42Å; P764-T766 VanDerWaalsContact O-N 3.13Å; T766-L768 VanDerWaalsContact C-N 3.3Å; T766-L768 PolarHBondContact O-N 3.47Å; T766-N769 PolarHBondContact O-N 2.6Å; T766-N769 WeakPolarHBondContact OG1-CB 3.28Å; T766-N769 PolarHBondContact OG1-N 3.28Å; T766-N769 PolarHBondContact OG1-ND2 2.94Å; T766-R770 PolarHBondContact O-N 2.77Å; T766-R770 VanDerWaalsContact O-N 3.09Å
767	D	64.9	Low	59.7	Low	113 Å²	113	75 Å²	75	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-61.9	-36.1	179.2	-72	-29.5	0	0	0	112.6	R770	D767-R770 IonicContact OD1-CZ 3.87Å; D767-R770 IonicContact OD1-NH1 2.86Å; D767-R770 PolarHBondContact OD1-NH1 3.15Å
768	L	69.7	Low	62.2	Low	16 Å²	16	67.6 Å²	67.6	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-78.4	-35.6	175	-69.4	175.6	0	0	0	112.3	D248 L615 I622 T766 R770 I771 R772	D248-L768 HydrophobicContact CB-CD1 4.43Å; D248-L768 WeakPolarHBondContact OD1-CD1 3.3Å; L615-L768 HydrophobicContact CD2-CD1 4.43Å; I622-L768 HydrophobicContact CG1-CD1 4.23Å; I622-L768 HydrophobicContact CG1-CD2 3.89Å; I622-L768 HydrophobicContact CG2-CD1 4.09Å; I622-L768 HydrophobicContact CG2-CD2 4.08Å; T766-L768 VanDerWaalsContact C-N 3.3Å; T766-L768 PolarHBondContact O-N 3.47Å; L768-R770 PolarHBondContact O-N 3.45Å; L768-I771 WeakPolarHBondContact O-CB 3.5Å; L768-I771 PolarHBondContact O-N 3.32Å; L768-R772 PolarHBondContact O-N 2.93Å
769	N	66.2	Low	64.8	Low	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-29.8	176.7	-74.5	-11.8	0	0	0	112.5	D248 P764 T766 I771 R772 N773	D248-N769 PolarHBondContact OD2-OD1 2.86Å; P764-N769 PolarHBondContact O-ND2 3.41Å; T766-N769 PolarHBondContact O-N 2.6Å; T766-N769 WeakPolarHBondContact OG1-CB 3.28Å; T766-N769 PolarHBondContact OG1-N 3.28Å; T766-N769 PolarHBondContact OG1-ND2 2.94Å; N769-I771 PolarHBondContact O-N 3.01Å; N769-R772 PolarHBondContact O-N 3.25Å; N769-R772 PolarHBondContact OD1-NH1 3.01Å; N769-N773 VanDerWaalsContact O-CB 3.3Å; N769-N773 WeakPolarHBondContact O-CB 3.42Å; N769-N773 PolarHBondContact O-N 3.36Å; N769-N773 PolarHBondContact O-ND2 3.1Å; N769-N773 PolarHBondContact O-OD1 2.96Å
770	R	66.6	Low	67.3	Low	98 Å²	98	55.3 Å²	55.3	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-55.4	-44.2	171.1	-71.9	-169	-169.8	113.9	14.4	111.3	K644 T766 D767 L768 I774	K644-R770 VanDerWaalsContact NZ-NH1 3.18Å; T766-R770 PolarHBondContact O-N 2.77Å; T766-R770 VanDerWaalsContact O-N 3.09Å; D767-R770 IonicContact OD1-CZ 3.87Å; D767-R770 IonicContact OD1-NH1 2.86Å; D767-R770 PolarHBondContact OD1-NH1 3.15Å; L768-R770 PolarHBondContact O-N 3.45Å; R770-I774 WeakPolarHBondContact O-CG1 3.5Å
771	I	69.8	Low	69.9	Low	31 Å²	31	51 Å²	51	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-44	178.4	-61.9	175.5	0	0	0	111	F605 L630 L768 N769 N773 I774	F605-I771 HydrophobicContact CD1-CG2 4.12Å; F605-I771 HydrophobicContact CD2-CG2 4.01Å; F605-I771 HydrophobicContact CE1-CG2 3.54Å; F605-I771 HydrophobicContact CE2-CG2 3.4Å; F605-I771 HydrophobicContact CG-CG2 4.34Å; F605-I771 HydrophobicContact CZ-CG2 3.14Å; L630-I771 HydrophobicContact CD1-CG2 4.16Å; L768-I771 WeakPolarHBondContact O-CB 3.5Å; L768-I771 PolarHBondContact O-N 3.32Å; N769-I771 PolarHBondContact O-N 3.01Å; I771-N773 PolarHBondContact O-N 3.42Å; I771-I774 WeakPolarHBondContact O-CB 3.49Å; I771-I774 WeakPolarHBondContact O-CG1 3.32Å; I771-I774 PolarHBondContact O-N 3.35Å; I771-I774 VanDerWaalsContact O-N 3.13Å
772	R	71	Confident	71.7	Confident	36 Å²	36	49.1 Å²	49.1	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-25.9	178.3	-62.6	-170.2	-178.3	117.7	2.8	113.5	E244 D248 F605 R763 L768 N769 I774	E244-R772 WeakPolarHBondContact OE1-CD 3.35Å; D248-R772 IonicContact OD1-CZ 2.65Å; D248-R772 IonicContact OD1-NH1 2.71Å; D248-R772 PolarHBondContact OD1-NH1 3.09Å; D248-R772 IonicContact OD1-NH2 3.25Å; D248-R772 PolarHBondContact OD1-NH2 3.4Å; D248-R772 IonicContact OD2-NH1 3.87Å; D248-R772 PolarHBondContact OD2-NH1 3.08Å; F605-R772 HydrophobicContact CB-CB 4.41Å; F605-R772 HydrophobicContact CB-CG 4.13Å; R763-R772 PolarHBondContact NH1-O 3.21Å; L768-R772 PolarHBondContact O-N 2.93Å; N769-R772 PolarHBondContact O-N 3.25Å; N769-R772 PolarHBondContact OD1-NH1 3.01Å; R772-I774 PolarHBondContact O-N 3.48Å
773	N	65.1	Low	73.3	Confident	80 Å²	80	38.5 Å²	38.5	43%	0.428	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.2	178.5	-70	-7.1	0	0	0	113.4	R763 N769 I771 H775	R763-N773 WeakPolarHBondContact CD-OD1 3.37Å; R763-N773 PolarHBondContact NH1-OD1 3.49Å; N769-N773 VanDerWaalsContact O-CB 3.3Å; N769-N773 WeakPolarHBondContact O-CB 3.42Å; N769-N773 PolarHBondContact O-N 3.36Å; N769-N773 PolarHBondContact O-ND2 3.1Å; N769-N773 PolarHBondContact O-OD1 2.96Å; I771-N773 PolarHBondContact O-N 3.42Å; N773-H775 PolarHBondContact O-N 3.36Å
774	I	69.9	Low	74.8	Confident	27 Å²	27	37 Å²	37	14%	0.138	19%	0.193	C	C	.	.	S	Bend	trans	-74.6	117.2	178	-62.2	165.7	0	0	0	107.8	L630 I635 L640 R770 I771 R772 L776	L630-I774 HydrophobicContact CD1-CD1 4.32Å; L630-I774 HydrophobicContact CD2-CD1 3.63Å; L630-I774 HydrophobicContact CD2-CG2 4.18Å; I635-I774 HydrophobicContact CD1-CG2 3.25Å; I635-I774 HydrophobicContact CG2-CG2 4.21Å; L640-I774 HydrophobicContact CD1-CD1 3.37Å; L640-I774 HydrophobicContact CD2-CD1 3.46Å; L640-I774 VanDerWaalsContact CD2-CD1 3.46Å; L640-I774 HydrophobicContact CD2-CG1 3.84Å; L640-I774 HydrophobicContact CG-CD1 4.05Å; R770-I774 WeakPolarHBondContact O-CG1 3.5Å; I771-I774 WeakPolarHBondContact O-CB 3.49Å; I771-I774 WeakPolarHBondContact O-CG1 3.32Å; I771-I774 PolarHBondContact O-N 3.35Å; I771-I774 VanDerWaalsContact O-N 3.13Å; R772-I774 PolarHBondContact O-N 3.48Å; I774-L776 HydrophobicContact CG2-CD2 4.49Å; I774-L776 PolarHBondContact O-N 2.61Å
775	H	68	Low	76.3	Confident	75 Å²	75	34.8 Å²	34.8	35%	0.347	18%	0.178	S	C	.	.			trans	-70.9	105.3	172.3	-165.6	60.2	0	0	0	109.1	N773	N773-H775 PolarHBondContact O-N 3.36Å
776	L	72.8	Confident	77.9	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-80.9	119.2	169.6	-63	169.9	0	0	0	107.2	F605 L630 A633 I635 I774 Q778	F605-L776 HydrophobicContact CD2-CD1 3.87Å; F605-L776 HydrophobicContact CE2-CD1 3.87Å; L630-L776 HydrophobicContact CD2-CD2 4.23Å; A633-L776 HydrophobicContact CB-CD2 3.47Å; A633-L776 VanDerWaalsContact CB-CD2 3.47Å; I635-L776 HydrophobicContact CD1-CD2 3.55Å; I635-L776 HydrophobicContact CG1-CD2 4.46Å; I774-L776 HydrophobicContact CG2-CD2 4.49Å; I774-L776 PolarHBondContact O-N 2.61Å; L776-Q778 WeakPolarHBondContact O-CG 3.33Å; L776-Q778 PolarHBondContact O-N 3.38Å; L776-Q778 VanDerWaalsContact O-N 3.14Å; L776-Q778 PolarHBondContact O-NE2 3.22Å
777	I	69.6	Low	79.3	Confident	82 Å²	82	28.1 Å²	28.1	42%	0.421	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-55.8	121.8	172.3	-59.5	171.5	0	0	0	108	F214 D216 M782	F214-I777 HydrophobicContact CB-CG2 3.87Å; F214-I777 HydrophobicContact CD1-CG2 3.63Å; F214-I777 HydrophobicContact CG-CG2 4.22Å; D216-I777 WeakPolarHBondContact OD1-CG2 3.43Å; I777-M782 WeakPolarHBondContact O-CE 3.4Å
778	Q	80.1	Confident	80.7	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-101.1	143.4	-178.7	-65.7	-62.4	-39.8	0	0	111.3	L203 P204 D215 V603 L776 S783 L786	L203-Q778 HydrophobicContact CD2-CG 3.71Å; P204-Q778 HydrophobicContact CG-CB 3.96Å; D215-Q778 PolarHBondContact N-O 2.64Å; D215-Q778 VanDerWaalsContact N-O 3.15Å; V603-Q778 PolarHBondContact O-NE2 3.34Å; L776-Q778 WeakPolarHBondContact O-CG 3.33Å; L776-Q778 PolarHBondContact O-N 3.38Å; L776-Q778 VanDerWaalsContact O-N 3.14Å; L776-Q778 PolarHBondContact O-NE2 3.22Å; Q778-S783 PolarHBondContact OE1-OG 2.79Å; Q778-L786 HydrophobicContact CB-CD1 3.96Å; Q778-L786 HydrophobicContact CG-CD1 3.99Å
779	N	85.4	Confident	81.8	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.027	13%	0.128	C	C	.	.			trans	-147.6	150.6	170.1	174.4	-65.2	0	0	0	107.9	V211 T213 F214 F781 M782 S783	V211-N779 PolarHBondContact O-ND2 3.43Å; V211-N779 PolarHBondContact O-OD1 3.24Å; T213-N779 PolarHBondContact O-ND2 2.94Å; F214-N779 HydrophobicContact CD1-CB 4.48Å; N779-F781 PolarHBondContact O-N 3.48Å; N779-F781 VanDerWaalsContact O-N 3.14Å; N779-F781 WeakPolarHBondContact OD1-CB 3.4Å; N779-F781 PolarHBondContact OD1-N 3.17Å; N779-M782 PolarHBondContact O-N 3.41Å; N779-S783 PolarHBondContact O-N 3.27Å
780	G	90	Very high	83.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.1	179.6	0	0	0	0	0	114.5	M580 S783 P784	M580-G780 WeakPolarHBondContact CE-O 3.3Å; G780-S783 CarbonylContact O-C 3.57Å; G780-P784 WeakPolarHBondContact O-CA 3.46Å; G780-P784 VanDerWaalsContact O-N 3.09Å
781	F	93.5	Very high	84.4	Confident	10 Å²	10	28.7 Å²	28.7	4%	0.044	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-35.5	176.2	-76.2	-55.9	0	0	0	114.2	V211 Y534 L538 M580 R581 N779	V211-F781 HydrophobicContact CB-CD2 3.9Å; V211-F781 HydrophobicContact CB-CE1 4.48Å; V211-F781 HydrophobicContact CB-CE2 3.53Å; V211-F781 HydrophobicContact CB-CZ 3.84Å; V211-F781 HydrophobicContact CG1-CE2 4.35Å; V211-F781 HydrophobicContact CG1-CZ 4.34Å; V211-F781 HydrophobicContact CG2-CE2 4.12Å; V211-F781 HydrophobicContact CG2-CZ 4.19Å; V211-F781 WeakPolarHBondContact O-CD2 3.46Å; V211-F781 WeakPolarHBondContact O-CE2 3.44Å; Y534-F781 HydrophobicContact CE2-CB 4.44Å; Y534-F781 WeakPolarHBondContact OH-CB 3.49Å; L538-F781 HydrophobicContact CD2-CB 3.63Å; L538-F781 HydrophobicContact CD2-CD1 4.18Å; L538-F781 HydrophobicContact CD2-CG 3.96Å; M580-F781 HydrophobicContact CB-CD1 4.16Å; M580-F781 HydrophobicContact CB-CE1 3.83Å; M580-F781 HydrophobicContact CE-CD1 4.43Å; R581-F781 HydrophobicContact CB-CE1 3.73Å; R581-F781 HydrophobicContact CB-CZ 4.05Å; R581-F781 HydrophobicContact CG-CE1 4.37Å; R581-F781 HydrophobicContact CG-CZ 4.21Å; N779-F781 PolarHBondContact O-N 3.48Å; N779-F781 VanDerWaalsContact O-N 3.14Å; N779-F781 WeakPolarHBondContact OD1-CB 3.4Å; N779-F781 PolarHBondContact OD1-N 3.17Å
782	M	92.4	Very high	85.6	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.02	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-42.5	178.4	-167.6	-179.8	72.4	0	0	110.4	Y534 N573 V603 Y632 I777 N779 P784	Y534-M782 HydrophobicContact CD2-CB 4.07Å; Y534-M782 HydrophobicContact CD2-CG 4Å; Y534-M782 HydrophobicContact CE2-CB 3.75Å; Y534-M782 HydrophobicContact CE2-CG 4.22Å; Y534-M782 HydrophobicContact CG-CG 4.36Å; Y534-M782 HydrophobicContact CG-SD 4.31Å; N573-M782 PolarHBondContact ND2-O 2.97Å; N573-M782 VanDerWaalsContact ND2-O 3.15Å; V603-M782 HydrophobicContact CB-CE 4.35Å; V603-M782 HydrophobicContact CB-CG 4.02Å; V603-M782 HydrophobicContact CG1-CE 4.28Å; V603-M782 HydrophobicContact CG1-CG 4.08Å; V603-M782 HydrophobicContact CG1-SD 4.22Å; V603-M782 HydrophobicContact CG2-CG 4.34Å; V603-M782 WeakPolarHBondContact CG2-O 3.49Å; Y632-M782 HydrophobicContact CD1-CG 4.27Å; Y632-M782 HydrophobicContact CE1-CG 3.79Å; I777-M782 WeakPolarHBondContact O-CE 3.4Å; N779-M782 PolarHBondContact O-N 3.41Å; M782-P784 WeakPolarHBondContact O-CD 3.3Å
783	S	94.2	Very high	86.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-120.6	82.6	176.7	-68.1	0	0	0	0	109.4	V601 V603 Q778 N779 G780 Y785 L786	V601-S783 CarbonylContact O-C 3.58Å; V601-S783 VanDerWaalsContact O-C 3.27Å; V601-S783 WeakPolarHBondContact O-CA 3.33Å; V603-S783 PolarHBondContact N-OG 3.26Å; Q778-S783 PolarHBondContact OE1-OG 2.79Å; N779-S783 PolarHBondContact O-N 3.27Å; G780-S783 CarbonylContact O-C 3.57Å; S783-Y785 PolarHBondContact O-N 2.54Å; S783-L786 PolarHBondContact O-N 3.23Å
784	P	95.5	Very high	88.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-48.1	-30.5	178	-33.1	38.5	0	0	0	114.6	L576 M580 V601 G780 M782 L786 A787	L576-P784 HydrophobicContact CB-CG 4.34Å; L576-P784 HydrophobicContact CD2-CB 3.36Å; L576-P784 HydrophobicContact CD2-CG 3.74Å; L576-P784 HydrophobicContact CG-CB 3.84Å; L576-P784 HydrophobicContact CG-CG 3.96Å; M580-P784 HydrophobicContact SD-CB 3.78Å; M580-P784 HydrophobicContact SD-CG 4.04Å; V601-P784 WeakPolarHBondContact O-CD 3.18Å; V601-P784 VanDerWaalsContact O-N 3.17Å; G780-P784 WeakPolarHBondContact O-CA 3.46Å; G780-P784 VanDerWaalsContact O-N 3.09Å; M782-P784 WeakPolarHBondContact O-CD 3.3Å; P784-L786 PolarHBondContact O-N 2.95Å; P784-A787 WeakPolarHBondContact O-CB 3Å; P784-A787 PolarHBondContact O-N 3.35Å
785	Y	94.5	Very high	89.5	Confident	5 Å²	5	28.4 Å²	28.4	2%	0.02	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22	176.4	-174.3	-117	0	0	0	114.6	F195 I206 V601 L602 S783 E814 R818	F195-Y785 HydrophobicContact CD2-CE1 4.18Å; F195-Y785 HydrophobicContact CG-CE1 4.39Å; I206-Y785 HydrophobicContact CD1-CE1 3.64Å; I206-Y785 WeakPolarHBondContact CD1-OH 3.29Å; I206-Y785 HydrophobicContact CG1-CD1 4.42Å; I206-Y785 HydrophobicContact CG1-CE1 3.72Å; I206-Y785 HydrophobicContact CG2-CE1 4.35Å; I206-Y785 HydrophobicContact CG2-CE2 4.31Å; V601-Y785 HydrophobicContact CG2-CG 4.22Å; V601-Y785 WeakPolarHBondContact O-CB 3.39Å; V601-Y785 PolarHBondContact O-N 3.38Å; L602-Y785 HydrophobicContact CD2-CD1 4.41Å; S783-Y785 PolarHBondContact O-N 2.54Å; Y785-E814 HydrophobicContact CD2-CG 4.27Å; Y785-E814 HydrophobicContact CE1-CG 4.17Å; Y785-E814 HydrophobicContact CE2-CB 4.14Å; Y785-E814 HydrophobicContact CE2-CG 3.31Å; Y785-E814 WeakPolarHBondContact OH-CG 3.39Å; Y785-E814 PolarHBondContact OH-OE1 2.81Å; Y785-R818 PolarHBondContact O-NH1 3.45Å
786	L	93.1	Very high	90.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-91.8	-16.4	177	-60.9	179.6	0	0	0	113.5	L203 P204 I206 G207 C209 L602 Q778 S783 P784	L203-L786 HydrophobicContact CD2-CD1 4.3Å; P204-L786 HydrophobicContact CG-CD1 4.45Å; I206-L786 HydrophobicContact CG1-CD2 4.14Å; G207-L786 PolarHBondContact N-O 3.32Å; C209-L786 HydrophobicContact CB-CB 4.18Å; C209-L786 WeakPolarHBondContact CB-O 3.15Å; C209-L786 PolarHBondContact N-O 3.09Å; L602-L786 HydrophobicContact CD1-CD1 3.89Å; L602-L786 HydrophobicContact CD1-CD2 4.08Å; L602-L786 HydrophobicContact CD1-CG 3.79Å; Q778-L786 HydrophobicContact CB-CD1 3.96Å; Q778-L786 HydrophobicContact CG-CD1 3.99Å; S783-L786 PolarHBondContact O-N 3.23Å; P784-L786 PolarHBondContact O-N 2.95Å
787	A	93.6	Very high	92.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-56.4	157	-176.4	0	0	0	0	0	112.6	G207 M580 P784 L792 R818	G207-A787 WeakPolarHBondContact CA-O 3.25Å; M580-A787 HydrophobicContact CE-CB 3.33Å; P784-A787 WeakPolarHBondContact O-CB 3Å; P784-A787 PolarHBondContact O-N 3.35Å; A787-L792 HydrophobicContact CB-CD2 4.34Å; A787-R818 VanDerWaalsContact O-CZ 3.23Å; A787-R818 PolarHBondContact O-NH1 2.93Å; A787-R818 PolarHBondContact O-NH2 3.44Å
788	S	93	Very high	93.4	Very high	29 Å²	29	22.4 Å²	22.4	20%	0.203	12%	0.121	C	C	.	.			trans	-61.4	152.8	178	68	0	0	0	0	114	G207 C209 D790 M791 L792	G207-S788 WeakPolarHBondContact O-CA 3.26Å; C209-S788 PolarHBondContact O-N 3.33Å; C209-S788 VanDerWaalsContact O-N 3.15Å; S788-D790 VanDerWaalsContact C-N 3.28Å; S788-D790 PolarHBondContact O-N 3.12Å; S788-M791 WeakPolarHBondContact O-CB 3.22Å; S788-M791 PolarHBondContact O-N 3.44Å; S788-M791 PolarHBondContact OG-N 2.91Å; S788-L792 PolarHBondContact O-N 3.29Å
789	D	94	Very high	94.3	Very high	63 Å²	63	22.4 Å²	22.4	34%	0.337	12%	0.121	S	C	.	.	H	α-helix	trans	-59.1	-39.9	176.5	-78.6	-10.8	0	0	0	111.8	M791 L792 R793 R818 L822	D789-M791 VanDerWaalsContact C-N 3.28Å; D789-M791 PolarHBondContact O-N 2.9Å; D789-L792 PolarHBondContact O-N 3.28Å; D789-L792 VanDerWaalsContact O-N 3.15Å; D789-R793 WeakPolarHBondContact O-CG 3.48Å; D789-R793 PolarHBondContact O-N 3.03Å; D789-R818 IonicContact OD1-CZ 2.76Å; D789-R818 IonicContact OD1-NE 3.3Å; D789-R818 PolarHBondContact OD1-NE 2.93Å; D789-R818 IonicContact OD1-NH2 3.76Å; D789-R818 PolarHBondContact OD1-NH2 3.02Å; D789-L822 HydrophobicContact CB-CD1 4.11Å; D789-L822 HydrophobicContact CB-CD2 3.74Å
790	D	92	Very high	95	Very high	128 Å²	128	22.4 Å²	22.4	68%	0.684	12%	0.121	S	C	*	.	H	α-helix	trans	-60.6	-37.2	177.9	-65.9	-24.7	0	0	0	112.4	S788	S788-D790 VanDerWaalsContact C-N 3.28Å; S788-D790 PolarHBondContact O-N 3.12Å
791	M	93.9	Very high	95.4	Very high	19 Å²	19	22.4 Å²	22.4	9%	0.094	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-44.4	175.3	-175.1	59.1	50.8	0	0	111.4	V211 M580 V583 R584 S788 D789 G794	V211-M791 HydrophobicContact CB-CE 4.39Å; V211-M791 HydrophobicContact CG1-CE 3.93Å; V211-M791 HydrophobicContact CG1-CG 3.95Å; V211-M791 HydrophobicContact CG1-SD 4.37Å; V211-M791 HydrophobicContact CG2-CE 3.58Å; M580-M791 HydrophobicContact CB-CG 4.1Å; M580-M791 HydrophobicContact CB-SD 3.96Å; M580-M791 HydrophobicContact CE-CG 3.58Å; M580-M791 HydrophobicContact CG-CG 4.14Å; V583-M791 HydrophobicContact CB-SD 4.29Å; V583-M791 HydrophobicContact CG1-SD 4.21Å; R584-M791 HydrophobicContact CB-CE 3.89Å; R584-M791 HydrophobicContact CB-SD 4.3Å; R584-M791 HydrophobicContact CG-CE 4.23Å; S788-M791 WeakPolarHBondContact O-CB 3.22Å; S788-M791 PolarHBondContact O-N 3.44Å; S788-M791 PolarHBondContact OG-N 2.91Å; D789-M791 VanDerWaalsContact C-N 3.28Å; D789-M791 PolarHBondContact O-N 2.9Å; M791-G794 PolarHBondContact O-N 3.32Å
792	L	96	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.2	-34.5	-178.3	-64.9	-172	0	0	0	112.5	A787 S788 D789 G794 L795 R818 L819 L822 V824	A787-L792 HydrophobicContact CB-CD2 4.34Å; S788-L792 PolarHBondContact O-N 3.29Å; D789-L792 PolarHBondContact O-N 3.28Å; D789-L792 VanDerWaalsContact O-N 3.15Å; L792-G794 PolarHBondContact O-N 2.96Å; L792-L795 HydrophobicContact CB-CD1 4.42Å; L792-L795 HydrophobicContact CD2-CD1 3.76Å; L792-L795 VanDerWaalsContact O-CB 3.29Å; L792-L795 WeakPolarHBondContact O-CB 3.46Å; L792-L795 WeakPolarHBondContact O-CG 3.21Å; L792-L795 PolarHBondContact O-N 3.42Å; L792-R818 HydrophobicContact CD1-CG 4.27Å; L792-L819 HydrophobicContact CB-CD2 4.05Å; L792-L819 HydrophobicContact CD1-CD2 4.38Å; L792-L822 HydrophobicContact CB-CD1 3.77Å; L792-L822 HydrophobicContact CD1-CD1 4.34Å; L792-V824 WeakPolarHBondContact O-CG2 3.23Å
793	R	95.7	Very high	95.8	Very high	123 Å²	123	21.7 Å²	21.7	46%	0.464	12%	0.118	S	C	.	.	H	α-helix	trans	-56.2	-30.8	174.8	-78.3	-179.4	-159.2	-80.7	1.4	113	D789 L795 L822	D789-R793 WeakPolarHBondContact O-CG 3.48Å; D789-R793 PolarHBondContact O-N 3.03Å; R793-L795 VanDerWaalsContact C-N 3.27Å; R793-L795 PolarHBondContact O-N 3.22Å; R793-L822 HydrophobicContact CG-CB 3.99Å; R793-L822 HydrophobicContact CG-CD2 4.26Å; R793-L822 HydrophobicContact CG-CG 4.5Å
794	G	94.3	Very high	95.7	Very high	33 Å²	33	22.7 Å²	22.7	34%	0.34	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.7	179.5	0	0	0	0	0	114.7	V583 M791 L792	V583-G794 VanDerWaalsContact CG2-C 3.47Å; V583-G794 WeakPolarHBondContact CG2-O 3.34Å; M791-G794 PolarHBondContact O-N 3.32Å; L792-G794 PolarHBondContact O-N 2.96Å
795	L	97.6	Very high	95.8	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.063	12%	0.123	C	C	.	.			trans	-65.1	145.8	-178.3	-71.4	174	0	0	0	111.9	L576 C579 M580 L792 R793 V798 L819 V824	L576-L795 HydrophobicContact CD1-CD1 3.83Å; L576-L795 HydrophobicContact CD1-CD2 3.94Å; C579-L795 HydrophobicContact CB-CD2 3.6Å; M580-L795 HydrophobicContact CG-CD2 3.96Å; L792-L795 HydrophobicContact CB-CD1 4.42Å; L792-L795 HydrophobicContact CD2-CD1 3.76Å; L792-L795 VanDerWaalsContact O-CB 3.29Å; L792-L795 WeakPolarHBondContact O-CB 3.46Å; L792-L795 WeakPolarHBondContact O-CG 3.21Å; L792-L795 PolarHBondContact O-N 3.42Å; R793-L795 VanDerWaalsContact C-N 3.27Å; R793-L795 PolarHBondContact O-N 3.22Å; L795-V798 HydrophobicContact CB-CG2 4.38Å; L795-L819 HydrophobicContact CD1-CD2 3.81Å; L795-V824 HydrophobicContact CB-CG1 4.25Å
796	P	97.2	Very high	95.9	Very high	18 Å²	18	22.6 Å²	22.6	12%	0.117	12%	0.122	C	C	.	.			trans	-70.8	175	171.6	36	-39.1	0	0	0	110.6	P591 I594 V798	P591-P796 HydrophobicContact CB-CG 4.27Å; P591-P796 WeakPolarHBondContact O-CB 3.45Å; I594-P796 HydrophobicContact CG2-CG 4.36Å; P796-V798 WeakPolarHBondContact O-CG2 3.46Å; P796-V798 PolarHBondContact O-N 3.2Å
797	P	98	Very high	96.1	Very high	18 Å²	18	22.5 Å²	22.5	12%	0.117	12%	0.122	C	C	.	.			trans	-48.4	125.9	172.5	-28.4	34.8	0	0	0	112.6	G593 I594 S825 L862 I868	G593-P797 WeakPolarHBondContact CA-O 3.38Å; I594-P797 PolarHBondContact N-O 2.91Å; P797-S825 WeakPolarHBondContact CA-O 3.27Å; P797-L862 HydrophobicContact CB-CD2 3.99Å; P797-I868 HydrophobicContact CG-CD1 4.27Å; P797-I868 HydrophobicContact CG-CG1 3.75Å
798	V	98.5	Very high	96.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.9	-174.6	-174.4	0	0	0	0	109.7	I594 L596 L795 P796 I800 L819 V824 S825 V826 D827	I594-V798 HydrophobicContact CG2-CB 4.08Å; I594-V798 HydrophobicContact CG2-CG1 4Å; I594-V798 HydrophobicContact CG2-CG2 3.76Å; L596-V798 HydrophobicContact CD1-CG1 3.97Å; L795-V798 HydrophobicContact CB-CG2 4.38Å; P796-V798 WeakPolarHBondContact O-CG2 3.46Å; P796-V798 PolarHBondContact O-N 3.2Å; V798-I800 HydrophobicContact CG1-CD1 4.15Å; V798-I800 HydrophobicContact CG1-CG1 3.74Å; V798-L819 HydrophobicContact CB-CD1 3.92Å; V798-L819 HydrophobicContact CG1-CD1 3.99Å; V798-L819 HydrophobicContact CG2-CD1 3.71Å; V798-V824 HydrophobicContact CG2-CG1 4.26Å; V798-S825 PolarHBondContact N-O 3.15Å; V798-V826 HydrophobicContact CB-CG2 4.45Å; V798-V826 CarbonylContact O-C 3.53Å; V798-V826 VanDerWaalsContact O-CA 3.28Å; V798-V826 WeakPolarHBondContact O-CA 3.38Å; V798-D827 PolarHBondContact O-N 3.27Å
799	V	98.5	Very high	96.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.1	166.7	171.2	0	0	0	0	108.8	I594 F595 L596 V801 D827 L858 L862 Y867	I594-V799 PolarHBondContact O-N 3.4Å; F595-V799 HydrophobicContact CD2-CB 4.25Å; F595-V799 HydrophobicContact CD2-CG1 3.75Å; F595-V799 HydrophobicContact CE2-CG1 4.1Å; L596-V799 PolarHBondContact N-O 3.09Å; V799-V801 HydrophobicContact CG1-CG2 4.13Å; V799-D827 CarbonylContact C-O 3.41Å; V799-D827 VanDerWaalsContact CA-O 3.3Å; V799-D827 WeakPolarHBondContact CA-O 3.46Å; V799-D827 HydrophobicContact CG2-CB 4.35Å; V799-L858 HydrophobicContact CG1-CB 3.9Å; V799-L858 HydrophobicContact CG1-CD1 3.86Å; V799-L858 HydrophobicContact CG1-CD2 4.31Å; V799-L858 HydrophobicContact CG1-CG 4.25Å; V799-L862 HydrophobicContact CB-CD1 4.26Å; V799-L862 HydrophobicContact CG2-CD1 3.98Å; V799-L862 HydrophobicContact CG2-CD2 3.86Å; V799-L862 HydrophobicContact CG2-CG 3.88Å; V799-Y867 HydrophobicContact CG2-CD2 4.49Å; V799-Y867 HydrophobicContact CG2-CE2 3.67Å
800	I	98.7	Very high	96.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.2	176.7	-53.2	-179.3	0	0	0	109.1	L596 V798 L815 A816 V826 D827 I828 R829	L596-I800 HydrophobicContact CD1-CG1 4.4Å; L596-I800 CarbonylContact O-C 3.43Å; L596-I800 WeakPolarHBondContact O-CA 3.38Å; V798-I800 HydrophobicContact CG1-CD1 4.15Å; V798-I800 HydrophobicContact CG1-CG1 3.74Å; I800-L815 HydrophobicContact CD1-CB 4.29Å; I800-L815 HydrophobicContact CD1-CD2 3.98Å; I800-L815 HydrophobicContact CD1-CG 4.17Å; I800-A816 HydrophobicContact CD1-CB 4.21Å; I800-V826 HydrophobicContact CD1-CG2 4.28Å; I800-D827 PolarHBondContact N-O 3.04Å; I800-I828 HydrophobicContact CB-CB 4.23Å; I800-I828 HydrophobicContact CB-CD1 4.22Å; I800-I828 HydrophobicContact CB-CG1 4.12Å; I800-I828 HydrophobicContact CG2-CD1 4.03Å; I800-I828 HydrophobicContact CG2-CG1 4.28Å; I800-I828 CarbonylContact O-C 3.44Å; I800-I828 VanDerWaalsContact O-CA 3.27Å; I800-I828 WeakPolarHBondContact O-CA 3.12Å; I800-R829 PolarHBondContact O-N 2.91Å
801	V	98.6	Very high	96.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109.1	173.9	-172.2	0	0	0	0	109.6	F595 L596 A597 Y598 V799 R829 L831 F838 L858	F595-V801 HydrophobicContact CE2-CB 4.48Å; F595-V801 HydrophobicContact CE2-CG2 3.53Å; F595-V801 HydrophobicContact CZ-CB 4.31Å; F595-V801 HydrophobicContact CZ-CG2 3.81Å; L596-V801 PolarHBondContact O-N 3.42Å; A597-V801 CarbonylContact C-O 3.59Å; A597-V801 WeakPolarHBondContact CA-O 3.44Å; Y598-V801 PolarHBondContact N-O 2.89Å; V799-V801 HydrophobicContact CG1-CG2 4.13Å; V801-R829 CarbonylContact C-O 3.6Å; V801-R829 WeakPolarHBondContact CA-O 3.22Å; V801-R829 HydrophobicContact CG1-CB 4.47Å; V801-R829 HydrophobicContact CG2-CB 4.46Å; V801-L831 HydrophobicContact CG1-CD1 3.82Å; V801-L831 HydrophobicContact CG1-CG 3.94Å; V801-F838 HydrophobicContact CG1-CE1 4.37Å; V801-F838 HydrophobicContact CG1-CZ 3.74Å; V801-L858 HydrophobicContact CG2-CD1 3.51Å
802	C	97.7	Very high	97.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	169.5	175.6	-65.1	0	0	0	0	110.5	L809 R829 V830 L831	C802-L809 HydrophobicContact CB-CD1 3.8Å; C802-R829 PolarHBondContact N-O 3.47Å; C802-V830 HydrophobicContact CB-CG2 4.41Å; C802-V830 WeakPolarHBondContact O-CA 3.34Å; C802-L831 PolarHBondContact O-N 3.08Å
803	S	96.5	Very high	97.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.7	165.2	-174.9	0	0	0	0	111.1	F805 D806 L831 L834	S803-F805 PolarHBondContact O-N 3.3Å; S803-D806 PolarHBondContact O-N 3.41Å; S803-L831 WeakPolarHBondContact CA-O 3.46Å; S803-L831 PolarHBondContact OG-O 2.93Å; S803-L834 WeakPolarHBondContact CB-O 3.48Å; S803-L834 WeakPolarHBondContact OG-CA 3.49Å; S803-L834 WeakPolarHBondContact OG-CB 3.31Å; S803-L834 PolarHBondContact OG-N 3.43Å; S803-L834 PolarHBondContact OG-O 3.34Å
804	H	93.7	Very high	97.1	Very high	20 Å²	20	7 Å²	7	9%	0.093	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	-25.3	175.8	-145.8	-52.2	0	0	0	112.8	S130 V830 L831 D832	S130-H804 VanDerWaalsContact CB-O 3.31Å; S130-H804 WeakPolarHBondContact CB-O 3.39Å; S130-H804 PolarHBondContact OG-ND1 2.87Å; S130-H804 VanDerWaalsContact OG-ND1 3.14Å; S130-H804 PolarHBondContact OG-O 3.31Å; H804-V830 HydrophobicContact CB-CG1 4.23Å; H804-L831 PolarHBondContact N-O 3.13Å; H804-D832 IonicContact CD2-OD1 3.76Å
805	F	96.5	Very high	97.3	Very high	3 Å²	3	5.5 Å²	5.5	1%	0.013	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	53.6	178.1	-54.3	-62.7	0	0	0	111.4	T133 I134 Y263 L264 S803 D833	T133-F805 HydrophobicContact CG2-CE1 4.36Å; T133-F805 HydrophobicContact CG2-CZ 3.8Å; I134-F805 HydrophobicContact CD1-CD1 3.99Å; I134-F805 HydrophobicContact CD1-CE1 4.11Å; I134-F805 HydrophobicContact CG1-CD1 4.02Å; I134-F805 HydrophobicContact CG1-CE1 3.66Å; Y263-F805 HydrophobicContact CD2-CB 4.26Å; Y263-F805 AromaticContact CD2-CD1 3.85Å; Y263-F805 HydrophobicContact CD2-CD1 3.85Å; Y263-F805 HydrophobicContact CD2-CD2 4.2Å; Y263-F805 HydrophobicContact CD2-CE1 4.24Å; Y263-F805 AromaticContact CD2-CG 3.83Å; Y263-F805 HydrophobicContact CD2-CG 3.83Å; Y263-F805 HydrophobicContact CE2-CB 4.06Å; Y263-F805 HydrophobicContact CE2-CD1 4.26Å; Y263-F805 HydrophobicContact CE2-CG 4.13Å; Y263-F805 VanDerWaalsContact O-CE2 3.27Å; Y263-F805 WeakPolarHBondContact O-CE2 3.5Å; L264-F805 HydrophobicContact CD2-CB 3.58Å; L264-F805 HydrophobicContact CD2-CD2 3.63Å; L264-F805 HydrophobicContact CD2-CG 3.89Å; S803-F805 PolarHBondContact O-N 3.3Å; F805-D833 WeakPolarHBondContact CE2-OD1 3.39Å
806	D	96.9	Very high	97.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.			trans	-120.8	130.8	174.5	175.8	16.6	0	0	0	109.6	Y598 S803 F808 L809 H836	Y598-D806 WeakPolarHBondContact CA-OD2 3.44Å; Y598-D806 WeakPolarHBondContact CB-OD2 3.5Å; S803-D806 PolarHBondContact O-N 3.41Å; D806-F808 PolarHBondContact O-N 2.95Å; D806-F808 VanDerWaalsContact O-N 3.07Å; D806-F808 PolarHBondContact OD1-N 3.01Å; D806-F808 VanDerWaalsContact OD1-N 3.12Å; D806-L809 WeakPolarHBondContact O-CB 3.42Å; D806-L809 PolarHBondContact O-N 3.3Å; D806-H836 IonicContact OD1-CE1 2.78Å; D806-H836 IonicContact OD1-CG 2.59Å; D806-H836 IonicContact OD1-ND1 3.13Å; D806-H836 PolarHBondContact OD1-ND1 3.28Å; D806-H836 IonicContact OD2-ND1 3.92Å
807	P	96.7	Very high	97.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.5	173.1	-29.6	37.4	0	0	0	114.8	S610 R611 L613 D617 L620	S610-P807 CarbonylContact C-O 3.53Å; S610-P807 WeakPolarHBondContact CB-O 3.18Å; S610-P807 WeakPolarHBondContact O-CA 3.41Å; S610-P807 PolarHBondContact OG-O 3.36Å; R611-P807 WeakPolarHBondContact CA-O 3.43Å; R611-P807 VanDerWaalsContact CG-O 3.29Å; R611-P807 WeakPolarHBondContact CG-O 2.87Å; R611-P807 PolarHBondContact N-O 3.38Å; L613-P807 HydrophobicContact CB-CG 4.31Å; D617-P807 HydrophobicContact CB-CG 4.27Å; L620-P807 HydrophobicContact CB-CG 4.37Å; L620-P807 HydrophobicContact CD2-CB 4.27Å; L620-P807 HydrophobicContact CD2-CG 4.22Å
808	F	97.3	Very high	97	Very high	5 Å²	5	5.5 Å²	5.5	2%	0.022	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	20.2	177.8	-53.4	-51.4	0	0	0	114.6	P600 L620 L625 D806 D811 G812 H836	P600-F808 HydrophobicContact CB-CD1 3.92Å; P600-F808 HydrophobicContact CB-CD2 4.24Å; P600-F808 HydrophobicContact CB-CE1 3.71Å; P600-F808 HydrophobicContact CB-CE2 4.01Å; P600-F808 HydrophobicContact CB-CG 4.19Å; P600-F808 HydrophobicContact CB-CZ 3.73Å; P600-F808 HydrophobicContact CG-CD2 4.47Å; P600-F808 HydrophobicContact CG-CE2 4.09Å; P600-F808 HydrophobicContact CG-CZ 4.14Å; L620-F808 HydrophobicContact CD2-CD2 4.16Å; L620-F808 HydrophobicContact CD2-CE2 3.37Å; L620-F808 HydrophobicContact CD2-CZ 3.59Å; L625-F808 HydrophobicContact CD1-CE1 4.04Å; L625-F808 HydrophobicContact CD1-CZ 3.61Å; D806-F808 PolarHBondContact O-N 2.95Å; D806-F808 VanDerWaalsContact O-N 3.07Å; D806-F808 PolarHBondContact OD1-N 3.01Å; D806-F808 VanDerWaalsContact OD1-N 3.12Å; F808-D811 HydrophobicContact CB-CB 4.06Å; F808-D811 WeakPolarHBondContact O-CB 3.3Å; F808-D811 PolarHBondContact O-N 2.74Å; F808-G812 PolarHBondContact O-N 2.94Å; F808-H836 AromaticContact CD2-CE1 3.62Å; F808-H836 AromaticContact CD2-ND1 3.9Å; F808-H836 AromaticContact CE2-CE1 3.77Å
809	L	97.9	Very high	96.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.1	-50.5	173.5	173.1	61.8	0	0	0	112.1	C802 D806 D811 G812 L813 V830	C802-L809 HydrophobicContact CB-CD1 3.8Å; D806-L809 WeakPolarHBondContact O-CB 3.42Å; D806-L809 PolarHBondContact O-N 3.3Å; L809-D811 VanDerWaalsContact C-N 3.29Å; L809-D811 PolarHBondContact O-N 3.27Å; L809-G812 PolarHBondContact O-N 3.38Å; L809-L813 HydrophobicContact CD1-CD1 3.92Å; L809-L813 HydrophobicContact CD1-CG 4.16Å; L809-L813 HydrophobicContact CG-CD1 3.9Å; L809-L813 WeakPolarHBondContact O-CG 3.45Å; L809-L813 PolarHBondContact O-N 3.25Å; L809-L813 VanDerWaalsContact O-N 3.08Å; L809-V830 HydrophobicContact CD1-CB 4.46Å; L809-V830 HydrophobicContact CD1-CG1 3.78Å; L809-V830 HydrophobicContact CD1-CG2 3.79Å
810	D	97.4	Very high	96.8	Very high	5 Å²	5	7.8 Å²	7.8	3%	0.027	4%	0.041	C	C	.	.	H	α-helix	trans	-68	-31.1	-177.9	-63.4	-24.7	0	0	0	111.6	G127 S608 P609 S610 L813 E814	G127-D810 PolarHBondContact N-OD1 3.41Å; S608-D810 WeakPolarHBondContact CB-OD2 3.09Å; S608-D810 PolarHBondContact OG-OD2 3.39Å; P609-D810 VanDerWaalsContact CD-OD2 3.29Å; P609-D810 WeakPolarHBondContact CD-OD2 3.34Å; S610-D810 WeakPolarHBondContact CB-OD2 3.33Å; S610-D810 PolarHBondContact N-OD2 3.46Å; S610-D810 VanDerWaalsContact OG-CB 3.3Å; S610-D810 WeakPolarHBondContact OG-CB 3.47Å; S610-D810 VanDerWaalsContact OG-CG 3.28Å; S610-D810 PolarHBondContact OG-N 3.39Å; S610-D810 PolarHBondContact OG-OD2 3.29Å; D810-L813 PolarHBondContact O-N 3.35Å; D810-E814 WeakPolarHBondContact O-CB 3.43Å; D810-E814 PolarHBondContact O-N 2.96Å
811	D	97.3	Very high	96.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-54.7	-51.7	170.9	-83.7	-116.9	0	0	0	111.3	V601 L602 R611 F808 L809 L815	V601-D811 HydrophobicContact CG2-CB 3.81Å; V601-D811 WeakPolarHBondContact CG2-O 3.3Å; V601-D811 PolarHBondContact N-OD1 2.96Å; L602-D811 PolarHBondContact N-OD1 3.39Å; R611-D811 IonicContact CZ-OD1 2.6Å; R611-D811 IonicContact CZ-OD2 3.95Å; R611-D811 IonicContact NE-OD2 3.27Å; R611-D811 PolarHBondContact NE-OD2 3.19Å; R611-D811 VanDerWaalsContact NH2-CG 3.32Å; R611-D811 IonicContact NH2-OD1 3.59Å; R611-D811 PolarHBondContact NH2-OD1 3.22Å; R611-D811 IonicContact NH2-OD2 3.88Å; R611-D811 PolarHBondContact NH2-OD2 3.42Å; F808-D811 HydrophobicContact CB-CB 4.06Å; F808-D811 WeakPolarHBondContact O-CB 3.3Å; F808-D811 PolarHBondContact O-N 2.74Å; L809-D811 VanDerWaalsContact C-N 3.29Å; L809-D811 PolarHBondContact O-N 3.27Å; D811-L815 WeakPolarHBondContact O-CB 3.44Å; D811-L815 PolarHBondContact O-N 2.91Å
812	G	97.5	Very high	96.5	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-42.4	179.3	0	0	0	0	0	113.1	F808 L809 E814 A816 I828	F808-G812 PolarHBondContact O-N 2.94Å; L809-G812 PolarHBondContact O-N 3.38Å; G812-E814 VanDerWaalsContact C-N 3.35Å; G812-A816 WeakPolarHBondContact O-CB 3.38Å; G812-A816 PolarHBondContact O-N 2.82Å; G812-I828 WeakPolarHBondContact O-CD1 3.4Å
813	L	97.2	Very high	96.4	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-41.3	177.9	-68.8	169.5	0	0	0	111.9	F120 A125 N126 L809 D810 A816 K817 I828 V830	F120-L813 HydrophobicContact CB-CD2 3.94Å; A125-L813 WeakPolarHBondContact O-CD1 3.47Å; N126-L813 HydrophobicContact CB-CD1 4.15Å; L809-L813 HydrophobicContact CD1-CD1 3.92Å; L809-L813 HydrophobicContact CD1-CG 4.16Å; L809-L813 HydrophobicContact CG-CD1 3.9Å; L809-L813 WeakPolarHBondContact O-CG 3.45Å; L809-L813 PolarHBondContact O-N 3.25Å; L809-L813 VanDerWaalsContact O-N 3.08Å; D810-L813 PolarHBondContact O-N 3.35Å; L813-A816 PolarHBondContact O-N 3.35Å; L813-K817 VanDerWaalsContact O-CG 3.32Å; L813-K817 WeakPolarHBondContact O-CG 3.3Å; L813-K817 PolarHBondContact O-N 3.44Å; L813-I828 HydrophobicContact CD2-CD1 3.88Å; L813-I828 HydrophobicContact CG-CD1 4.37Å; L813-V830 HydrophobicContact CD2-CG2 4.31Å
814	E	95.9	Very high	96.4	Very high	22 Å²	22	22.7 Å²	22.7	10%	0.103	11%	0.114	C	C	.	.	H	α-helix	trans	-72.6	-40.4	-178.1	-166.4	69.8	-177.8	0	0	111.8	T193 F195 Y785 D810 G812 A816 K817 R818	T193-E814 WeakPolarHBondContact CB-OE1 3.3Å; T193-E814 PolarHBondContact OG1-OE1 3.13Å; T193-E814 PolarHBondContact OG1-OE2 3.23Å; F195-E814 HydrophobicContact CD2-CB 4.01Å; F195-E814 HydrophobicContact CD2-CG 3.78Å; F195-E814 HydrophobicContact CE2-CB 3.72Å; F195-E814 HydrophobicContact CE2-CG 3.99Å; Y785-E814 HydrophobicContact CD2-CG 4.27Å; Y785-E814 HydrophobicContact CE1-CG 4.17Å; Y785-E814 HydrophobicContact CE2-CB 4.14Å; Y785-E814 HydrophobicContact CE2-CG 3.31Å; Y785-E814 WeakPolarHBondContact OH-CG 3.39Å; Y785-E814 PolarHBondContact OH-OE1 2.81Å; D810-E814 WeakPolarHBondContact O-CB 3.43Å; D810-E814 PolarHBondContact O-N 2.96Å; G812-E814 VanDerWaalsContact C-N 3.35Å; E814-A816 VanDerWaalsContact C-N 3.33Å; E814-A816 PolarHBondContact O-N 3.42Å; E814-K817 PolarHBondContact O-N 2.84Å; E814-K817 IonicContact OE2-NZ 3.06Å; E814-R818 WeakPolarHBondContact O-CB 3.44Å; E814-R818 PolarHBondContact O-N 3.14Å
815	L	97.2	Very high	96.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-46	170.1	-178.6	63.6	0	0	0	110.5	L576 L596 V601 I800 D811 K817 R818 L819	L576-L815 HydrophobicContact CD2-CD2 3.78Å; L596-L815 HydrophobicContact CD1-CD2 4.29Å; V601-L815 HydrophobicContact CG1-CB 4.25Å; V601-L815 HydrophobicContact CG1-CD2 3.64Å; V601-L815 HydrophobicContact CG1-CG 4.46Å; V601-L815 HydrophobicContact CG2-CB 4.38Å; I800-L815 HydrophobicContact CD1-CB 4.29Å; I800-L815 HydrophobicContact CD1-CD2 3.98Å; I800-L815 HydrophobicContact CD1-CG 4.17Å; D811-L815 WeakPolarHBondContact O-CB 3.44Å; D811-L815 PolarHBondContact O-N 2.91Å; L815-K817 PolarHBondContact O-N 2.87Å; L815-R818 PolarHBondContact O-N 2.99Å; L815-R818 VanDerWaalsContact O-N 3.16Å; L815-L819 HydrophobicContact CD1-CD1 4.07Å; L815-L819 HydrophobicContact CD1-CD2 4.24Å; L815-L819 HydrophobicContact CD1-CG 3.92Å; L815-L819 HydrophobicContact CD2-CD1 4.31Å; L815-L819 HydrophobicContact CG-CD1 3.84Å; L815-L819 HydrophobicContact CG-CG 4.1Å; L815-L819 WeakPolarHBondContact O-CB 3.46Å; L815-L819 VanDerWaalsContact O-CG 3.28Å; L815-L819 WeakPolarHBondContact O-CG 3.46Å; L815-L819 PolarHBondContact O-N 2.97Å
816	A	96.9	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.3	-45.1	178.8	0	0	0	0	0	112.8	F120 I800 G812 L813 E814 R818 L819 S820 V826 I828	F120-A816 HydrophobicContact CD2-CB 4.41Å; F120-A816 HydrophobicContact CE1-CB 4.5Å; F120-A816 HydrophobicContact CE2-CB 4.21Å; F120-A816 HydrophobicContact CZ-CB 4.25Å; I800-A816 HydrophobicContact CD1-CB 4.21Å; G812-A816 WeakPolarHBondContact O-CB 3.38Å; G812-A816 PolarHBondContact O-N 2.82Å; L813-A816 PolarHBondContact O-N 3.35Å; E814-A816 VanDerWaalsContact C-N 3.33Å; E814-A816 PolarHBondContact O-N 3.42Å; A816-R818 VanDerWaalsContact C-N 3.29Å; A816-R818 PolarHBondContact O-N 3.45Å; A816-L819 PolarHBondContact O-N 2.71Å; A816-S820 VanDerWaalsContact O-CB 3.26Å; A816-S820 WeakPolarHBondContact O-CB 3.36Å; A816-S820 PolarHBondContact O-N 2.94Å; A816-V826 HydrophobicContact CB-CG2 4.01Å; A816-I828 HydrophobicContact CB-CB 4.13Å; A816-I828 HydrophobicContact CB-CD1 3.79Å; A816-I828 HydrophobicContact CB-CG2 3.93Å
817	K	95.8	Very high	96.4	Very high	25 Å²	25	24.5 Å²	24.5	11%	0.109	13%	0.127	C	C	.	.	H	α-helix	trans	-55.7	-46.1	173.6	-76.6	171.5	-173.6	171.4	0	111.4	Y118 D119 F120 S192 L813 E814 L815 K821	Y118-K817 PolarHBondContact O-NZ 3.37Å; D119-K817 WeakPolarHBondContact O-CE 3.05Å; F120-K817 HydrophobicContact CB-CG 4.46Å; F120-K817 HydrophobicContact CD2-CB 4.33Å; F120-K817 HydrophobicContact CD2-CG 3.52Å; F120-K817 HydrophobicContact CE2-CG 4.26Å; F120-K817 HydrophobicContact CG-CG 4.44Å; S192-K817 PolarHBondContact O-NZ 3.05Å; L813-K817 VanDerWaalsContact O-CG 3.32Å; L813-K817 WeakPolarHBondContact O-CG 3.3Å; L813-K817 PolarHBondContact O-N 3.44Å; E814-K817 PolarHBondContact O-N 2.84Å; E814-K817 IonicContact OE2-NZ 3.06Å; L815-K817 PolarHBondContact O-N 2.87Å; K817-K821 WeakPolarHBondContact O-CG 3.42Å; K817-K821 PolarHBondContact O-N 3.07Å; K817-K821 VanDerWaalsContact O-N 3.15Å
818	R	95	Very high	96.5	Very high	23 Å²	23	24.5 Å²	24.5	9%	0.087	13%	0.127	C	C	.	.	H	α-helix	trans	-68	-47.6	-177.5	-169.9	169.3	179.3	-141.2	-19.5	111.6	Y785 A787 D789 L792 E814 L815 A816 S820 K821 L822	Y785-R818 PolarHBondContact O-NH1 3.45Å; A787-R818 VanDerWaalsContact O-CZ 3.23Å; A787-R818 PolarHBondContact O-NH1 2.93Å; A787-R818 PolarHBondContact O-NH2 3.44Å; D789-R818 IonicContact OD1-CZ 2.76Å; D789-R818 IonicContact OD1-NE 3.3Å; D789-R818 PolarHBondContact OD1-NE 2.93Å; D789-R818 IonicContact OD1-NH2 3.76Å; D789-R818 PolarHBondContact OD1-NH2 3.02Å; L792-R818 HydrophobicContact CD1-CG 4.27Å; E814-R818 WeakPolarHBondContact O-CB 3.44Å; E814-R818 PolarHBondContact O-N 3.14Å; L815-R818 PolarHBondContact O-N 2.99Å; L815-R818 VanDerWaalsContact O-N 3.16Å; A816-R818 VanDerWaalsContact C-N 3.29Å; A816-R818 PolarHBondContact O-N 3.45Å; R818-S820 PolarHBondContact O-N 2.97Å; R818-K821 PolarHBondContact O-N 3.48Å; R818-L822 HydrophobicContact CG-CD1 4.31Å; R818-L822 WeakPolarHBondContact O-CG 3.3Å; R818-L822 PolarHBondContact O-N 3.13Å
819	L	97	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-43.9	176.8	-67.9	-177.8	0	0	0	112.1	L792 L795 V798 L815 A816 K821 L822 D823 V824 V826	L792-L819 HydrophobicContact CB-CD2 4.05Å; L792-L819 HydrophobicContact CD1-CD2 4.38Å; L795-L819 HydrophobicContact CD1-CD2 3.81Å; V798-L819 HydrophobicContact CB-CD1 3.92Å; V798-L819 HydrophobicContact CG1-CD1 3.99Å; V798-L819 HydrophobicContact CG2-CD1 3.71Å; L815-L819 HydrophobicContact CD1-CD1 4.07Å; L815-L819 HydrophobicContact CD1-CD2 4.24Å; L815-L819 HydrophobicContact CD1-CG 3.92Å; L815-L819 HydrophobicContact CD2-CD1 4.31Å; L815-L819 HydrophobicContact CG-CD1 3.84Å; L815-L819 HydrophobicContact CG-CG 4.1Å; L815-L819 WeakPolarHBondContact O-CB 3.46Å; L815-L819 VanDerWaalsContact O-CG 3.28Å; L815-L819 WeakPolarHBondContact O-CG 3.46Å; L815-L819 PolarHBondContact O-N 2.97Å; A816-L819 PolarHBondContact O-N 2.71Å; L819-K821 VanDerWaalsContact C-N 3.32Å; L819-K821 PolarHBondContact O-N 3.04Å; L819-L822 CarbonylContact O-C 3.33Å; L819-L822 WeakPolarHBondContact O-CA 3.26Å; L819-L822 PolarHBondContact O-N 3.08Å; L819-D823 PolarHBondContact O-N 2.91Å; L819-V824 HydrophobicContact CB-CB 4.02Å; L819-V824 HydrophobicContact CB-CG1 4.34Å; L819-V824 HydrophobicContact CD2-CB 4.23Å; L819-V824 HydrophobicContact CD2-CG1 4.23Å; L819-V824 HydrophobicContact CD2-CG2 4.26Å; L819-V824 PolarHBondContact O-N 3.11Å; L819-V826 HydrophobicContact CB-CB 4.3Å; L819-V826 HydrophobicContact CB-CG1 4.37Å; L819-V826 HydrophobicContact CD1-CG2 4.41Å
820	S	95.3	Very high	96.4	Very high	51 Å²	51	27.9 Å²	27.9	36%	0.357	14%	0.142	S	C	.	.	H	α-helix	trans	-61.6	-37.7	177.1	175.8	0	0	0	0	112.7	A816 R818 L822 D823	A816-S820 VanDerWaalsContact O-CB 3.26Å; A816-S820 WeakPolarHBondContact O-CB 3.36Å; A816-S820 PolarHBondContact O-N 2.94Å; R818-S820 PolarHBondContact O-N 2.97Å; S820-L822 PolarHBondContact O-N 3.15Å; S820-D823 PolarHBondContact O-N 3.39Å
821	K	95	Very high	96.4	Very high	159 Å²	159	28.6 Å²	28.6	69%	0.691	15%	0.146	S	C	*	.	H	α-helix	trans	-69.3	-20.4	174.4	-74.3	175.3	-179.5	178.8	0	113.6	K817 R818 L819 D823	K817-K821 WeakPolarHBondContact O-CG 3.42Å; K817-K821 PolarHBondContact O-N 3.07Å; K817-K821 VanDerWaalsContact O-N 3.15Å; R818-K821 PolarHBondContact O-N 3.48Å; L819-K821 VanDerWaalsContact C-N 3.32Å; L819-K821 PolarHBondContact O-N 3.04Å; K821-D823 VanDerWaalsContact C-N 3.35Å
822	L	95.7	Very high	96.2	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.058	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.9	179.1	-65	176.6	0	0	0	112.4	D789 L792 R793 R818 L819 S820 V824	D789-L822 HydrophobicContact CB-CD1 4.11Å; D789-L822 HydrophobicContact CB-CD2 3.74Å; L792-L822 HydrophobicContact CB-CD1 3.77Å; L792-L822 HydrophobicContact CD1-CD1 4.34Å; R793-L822 HydrophobicContact CG-CB 3.99Å; R793-L822 HydrophobicContact CG-CD2 4.26Å; R793-L822 HydrophobicContact CG-CG 4.5Å; R818-L822 HydrophobicContact CG-CD1 4.31Å; R818-L822 WeakPolarHBondContact O-CG 3.3Å; R818-L822 PolarHBondContact O-N 3.13Å; L819-L822 CarbonylContact O-C 3.33Å; L819-L822 WeakPolarHBondContact O-CA 3.26Å; L819-L822 PolarHBondContact O-N 3.08Å; S820-L822 PolarHBondContact O-N 3.15Å; L822-V824 HydrophobicContact CB-CG2 4.25Å; L822-V824 PolarHBondContact O-N 3.35Å
823	D	95.6	Very high	96	Very high	135 Å²	135	35.6 Å²	35.6	72%	0.722	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	21.8	-177.1	-54.1	-54.4	0	0	0	113.9	L819 S820 K821	L819-D823 PolarHBondContact O-N 2.91Å; S820-D823 PolarHBondContact O-N 3.39Å; K821-D823 VanDerWaalsContact C-N 3.35Å
824	V	96.1	Very high	96	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	18%	0.183	C	C	.	.			trans	-80	127.7	171.7	178.5	0	0	0	0	108.6	L792 L795 V798 L819 L822 V826	L792-V824 WeakPolarHBondContact O-CG2 3.23Å; L795-V824 HydrophobicContact CB-CG1 4.25Å; V798-V824 HydrophobicContact CG2-CG1 4.26Å; L819-V824 HydrophobicContact CB-CB 4.02Å; L819-V824 HydrophobicContact CB-CG1 4.34Å; L819-V824 HydrophobicContact CD2-CB 4.23Å; L819-V824 HydrophobicContact CD2-CG1 4.23Å; L819-V824 HydrophobicContact CD2-CG2 4.26Å; L819-V824 PolarHBondContact O-N 3.11Å; L822-V824 HydrophobicContact CB-CG2 4.25Å; L822-V824 PolarHBondContact O-N 3.35Å; V824-V826 PolarHBondContact O-N 3.22Å; V824-V826 VanDerWaalsContact O-N 3.07Å
825	S	96.1	Very high	96	Very high	16 Å²	16	34.7 Å²	34.7	11%	0.112	18%	0.178	C	C	.	.			trans	-57.1	113.2	175.1	175.5	0	0	0	0	110.9	P797 V798 Y867 N871	P797-S825 WeakPolarHBondContact CA-O 3.27Å; V798-S825 PolarHBondContact N-O 3.15Å; S825-Y867 VanDerWaalsContact OG-CB 3.3Å; S825-Y867 WeakPolarHBondContact OG-CB 3.48Å; S825-N871 WeakPolarHBondContact CB-ND2 3.48Å
826	V	96.2	Very high	96	Very high	31 Å²	31	35.1 Å²	35.1	19%	0.188	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.2	179.8	63.4	0	0	0	0	111.9	F120 V798 I800 A816 L819 V824	F120-V826 HydrophobicContact CZ-CG1 4.44Å; V798-V826 HydrophobicContact CB-CG2 4.45Å; V798-V826 CarbonylContact O-C 3.53Å; V798-V826 VanDerWaalsContact O-CA 3.28Å; V798-V826 WeakPolarHBondContact O-CA 3.38Å; I800-V826 HydrophobicContact CD1-CG2 4.28Å; A816-V826 HydrophobicContact CB-CG2 4.01Å; L819-V826 HydrophobicContact CB-CB 4.3Å; L819-V826 HydrophobicContact CB-CG1 4.37Å; L819-V826 HydrophobicContact CD1-CG2 4.41Å; V824-V826 PolarHBondContact O-N 3.22Å; V824-V826 VanDerWaalsContact O-N 3.07Å
827	D	95.8	Very high	95.9	Very high	14 Å²	14	35.8 Å²	35.8	8%	0.075	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.7	166.7	-175.1	-8.7	0	0	0	108.2	V798 V799 I800 R829 Y867	V798-D827 PolarHBondContact O-N 3.27Å; V799-D827 CarbonylContact C-O 3.41Å; V799-D827 VanDerWaalsContact CA-O 3.3Å; V799-D827 WeakPolarHBondContact CA-O 3.46Å; V799-D827 HydrophobicContact CG2-CB 4.35Å; I800-D827 PolarHBondContact N-O 3.04Å; D827-R829 IonicContact OD1-CZ 3.86Å; D827-R829 IonicContact OD1-NE 3.92Å; D827-R829 PolarHBondContact OD1-NE 3.31Å; D827-R829 IonicContact OD1-NH2 3.65Å; D827-R829 IonicContact OD2-CZ 3.89Å; D827-R829 IonicContact OD2-NE 2.78Å; D827-R829 PolarHBondContact OD2-NE 2.92Å; D827-R829 IonicContact OD2-NH2 3.82Å; D827-R829 PolarHBondContact OD2-NH2 3.28Å; D827-Y867 HydrophobicContact CB-CD1 4.22Å; D827-Y867 HydrophobicContact CB-CE1 3.57Å; D827-Y867 WeakPolarHBondContact OD2-CE1 3.17Å; D827-Y867 PolarHBondContact OD2-OH 3.33Å
828	I	97.5	Very high	95.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128	177.5	179.3	160.4	0	0	0	110.7	F120 L123 I800 G812 L813 A816	F120-I828 HydrophobicContact CD1-CG2 3.34Å; F120-I828 HydrophobicContact CE1-CG2 3.31Å; F120-I828 HydrophobicContact CG-CG2 4.31Å; F120-I828 HydrophobicContact CZ-CG2 4.27Å; L123-I828 HydrophobicContact CD1-CG2 3.8Å; I800-I828 HydrophobicContact CB-CB 4.23Å; I800-I828 HydrophobicContact CB-CD1 4.22Å; I800-I828 HydrophobicContact CB-CG1 4.12Å; I800-I828 HydrophobicContact CG2-CD1 4.03Å; I800-I828 HydrophobicContact CG2-CG1 4.28Å; I800-I828 CarbonylContact O-C 3.44Å; I800-I828 VanDerWaalsContact O-CA 3.27Å; I800-I828 WeakPolarHBondContact O-CA 3.12Å; G812-I828 WeakPolarHBondContact O-CD1 3.4Å; L813-I828 HydrophobicContact CD2-CD1 3.88Å; L813-I828 HydrophobicContact CG-CD1 4.37Å; A816-I828 HydrophobicContact CB-CB 4.13Å; A816-I828 HydrophobicContact CB-CD1 3.79Å; A816-I828 HydrophobicContact CB-CG2 3.93Å
829	R	97.1	Very high	95.8	Very high	51 Å²	51	33.5 Å²	33.5	19%	0.192	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.2	174.1	-54.2	-56.7	176	90	3.7	109.6	I800 V801 C802 D827 L858	I800-R829 PolarHBondContact O-N 2.91Å; V801-R829 CarbonylContact C-O 3.6Å; V801-R829 WeakPolarHBondContact CA-O 3.22Å; V801-R829 HydrophobicContact CG1-CB 4.47Å; V801-R829 HydrophobicContact CG2-CB 4.46Å; C802-R829 PolarHBondContact N-O 3.47Å; D827-R829 IonicContact OD1-CZ 3.86Å; D827-R829 IonicContact OD1-NE 3.92Å; D827-R829 PolarHBondContact OD1-NE 3.31Å; D827-R829 IonicContact OD1-NH2 3.65Å; D827-R829 IonicContact OD2-CZ 3.89Å; D827-R829 IonicContact OD2-NE 2.78Å; D827-R829 PolarHBondContact OD2-NE 2.92Å; D827-R829 IonicContact OD2-NH2 3.82Å; D827-R829 PolarHBondContact OD2-NH2 3.28Å; R829-L858 HydrophobicContact CG-CD1 3.87Å; R829-L858 HydrophobicContact CG-CD2 4.29Å
830	V	97.9	Very high	95.6	Very high	25 Å²	25	35.5 Å²	35.5	15%	0.152	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.1	169.7	-177.3	0	0	0	0	107.5	L123 A125 C802 H804 L809 L813	L123-V830 HydrophobicContact CD1-CG2 4.48Å; A125-V830 HydrophobicContact CB-CB 4.09Å; A125-V830 HydrophobicContact CB-CG1 3.97Å; A125-V830 HydrophobicContact CB-CG2 3.88Å; C802-V830 HydrophobicContact CB-CG2 4.41Å; C802-V830 WeakPolarHBondContact O-CA 3.34Å; H804-V830 HydrophobicContact CB-CG1 4.23Å; L809-V830 HydrophobicContact CD1-CB 4.46Å; L809-V830 HydrophobicContact CD1-CG1 3.78Å; L809-V830 HydrophobicContact CD1-CG2 3.79Å; L813-V830 HydrophobicContact CD2-CG2 4.31Å
831	L	97.5	Very high	95.4	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.105	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.2	-179.7	-55.1	-175.2	0	0	0	110.6	V801 C802 S803 H804 L834 F838 A851 I854	V801-L831 HydrophobicContact CG1-CD1 3.82Å; V801-L831 HydrophobicContact CG1-CG 3.94Å; C802-L831 PolarHBondContact O-N 3.08Å; S803-L831 WeakPolarHBondContact CA-O 3.46Å; S803-L831 PolarHBondContact OG-O 2.93Å; H804-L831 PolarHBondContact N-O 3.13Å; L831-L834 HydrophobicContact CB-CD1 3.78Å; L831-L834 HydrophobicContact CD1-CD1 3.83Å; L831-L834 HydrophobicContact CG-CD1 4.48Å; L831-F838 HydrophobicContact CD1-CE1 4.17Å; L831-F838 HydrophobicContact CD1-CE2 3.94Å; L831-F838 HydrophobicContact CD1-CZ 3.73Å; L831-A851 HydrophobicContact CD1-CB 3.65Å; L831-I854 HydrophobicContact CD2-CD1 4.03Å; L831-I854 HydrophobicContact CD2-CG2 4.49Å
832	D	92.9	Very high	95.1	Very high	98 Å²	98	26.6 Å²	26.6	52%	0.524	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	145.7	-177	-64.6	-39.6	0	0	0	112.2	H804 L834	H804-D832 IonicContact CD2-OD1 3.76Å; D832-L834 WeakPolarHBondContact O-CG 3.44Å; D832-L834 PolarHBondContact O-N 2.85Å
833	D	93.5	Very high	94.7	Very high	50 Å²	50	28.3 Å²	28.3	27%	0.267	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63	8.6	167.4	-59.2	-26	0	0	0	117.3	R137 C265 F805	R137-D833 IonicContact CZ-OD1 2.67Å; R137-D833 IonicContact NH1-OD1 2.95Å; R137-D833 PolarHBondContact NH1-OD1 2.89Å; R137-D833 IonicContact NH1-OD2 3.54Å; R137-D833 IonicContact NH2-OD1 3.71Å; R137-D833 PolarHBondContact NH2-OD1 3.25Å; R137-D833 IonicContact NH2-OD2 2.82Å; C265-D833 HydrophobicContact CB-CB 3.97Å; C265-D833 PolarHBondContact N-O 3.12Å; F805-D833 WeakPolarHBondContact CE2-OD1 3.39Å
834	L	96.4	Very high	94.4	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	149.7	179.5	-59.6	176.5	0	0	0	112	S803 L831 D832 F838 E847 F848 A851	S803-L834 WeakPolarHBondContact CB-O 3.48Å; S803-L834 WeakPolarHBondContact OG-CA 3.49Å; S803-L834 WeakPolarHBondContact OG-CB 3.31Å; S803-L834 PolarHBondContact OG-N 3.43Å; S803-L834 PolarHBondContact OG-O 3.34Å; L831-L834 HydrophobicContact CB-CD1 3.78Å; L831-L834 HydrophobicContact CD1-CD1 3.83Å; L831-L834 HydrophobicContact CG-CD1 4.48Å; D832-L834 WeakPolarHBondContact O-CG 3.44Å; D832-L834 PolarHBondContact O-N 2.85Å; L834-F838 HydrophobicContact CB-CB 3.97Å; L834-F838 HydrophobicContact CB-CD1 4.26Å; L834-F838 HydrophobicContact CB-CG 4.31Å; L834-F838 HydrophobicContact CD1-CB 4.11Å; L834-F838 HydrophobicContact CD1-CD1 4.23Å; L834-F838 HydrophobicContact CD1-CD2 4.19Å; L834-F838 HydrophobicContact CD1-CG 3.93Å; L834-F838 HydrophobicContact CG-CB 4.45Å; L834-E847 HydrophobicContact CD2-CB 4.03Å; L834-F848 HydrophobicContact CD2-CD1 3.85Å; L834-F848 HydrophobicContact CD2-CE1 3.86Å; L834-A851 HydrophobicContact CD1-CB 3.49Å; L834-A851 VanDerWaalsContact CD1-CB 3.49Å
835	P	96.3	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	174.6	168.8	33.9	-35.3	0	0	0	112	L264 A268 L272 L619 F841 F848	L264-P835 HydrophobicContact CD1-CB 3.88Å; L264-P835 HydrophobicContact CD1-CG 4.49Å; L264-P835 HydrophobicContact CD2-CB 4.44Å; A268-P835 HydrophobicContact CB-CG 4.17Å; L272-P835 HydrophobicContact CD1-CB 4.21Å; L272-P835 HydrophobicContact CD1-CG 4.35Å; L619-P835 HydrophobicContact CD1-CB 3.94Å; L619-P835 HydrophobicContact CD1-CG 4.34Å; P835-F841 HydrophobicContact CG-CD2 4.33Å; P835-F841 HydrophobicContact CG-CE2 4.17Å; P835-F848 HydrophobicContact CG-CE1 4.17Å; P835-F848 HydrophobicContact CG-CZ 4.43Å
836	H	96.3	Very high	94	Very high	11 Å²	11	28 Å²	28	5%	0.051	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	153.8	157	-168.8	83.1	0	0	0	111.1	S569 Y598 L619 D806 F808 F838	S569-H836 PolarHBondContact OG-CE1 3.31Å; S569-H836 PolarHBondContact OG-NE2 3.49Å; Y598-H836 AromaticContact CD2-CE1 3.47Å; Y598-H836 VanDerWaalsContact CD2-CE1 3.47Å; Y598-H836 WeakPolarHBondContact CD2-CE1 2.76Å; Y598-H836 AromaticContact CD2-ND1 3.93Å; Y598-H836 AromaticContact CD2-NE2 3.76Å; Y598-H836 AromaticContact CG-CE1 4Å; Y598-H836 PolarHBondContact O-CE1 3.47Å; Y598-H836 VanDerWaalsContact O-CE1 3.31Å; L619-H836 WeakPolarHBondContact CD1-O 3.41Å; D806-H836 IonicContact OD1-CE1 2.78Å; D806-H836 IonicContact OD1-CG 2.59Å; D806-H836 IonicContact OD1-ND1 3.13Å; D806-H836 PolarHBondContact OD1-ND1 3.28Å; D806-H836 IonicContact OD2-ND1 3.92Å; F808-H836 AromaticContact CD2-CE1 3.62Å; F808-H836 AromaticContact CD2-ND1 3.9Å; F808-H836 AromaticContact CE2-CE1 3.77Å; H836-F838 PolarHBondContact O-N 3.36Å
837	A	94.3	Very high	94	Very high	13 Å²	13	29 Å²	29	11%	0.107	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	26.2	178.4	0	0	0	0	0	115.3	Y598 L839 N840	Y598-A837 VanDerWaalsContact CZ-CA 3.48Å; A837-L839 PolarHBondContact O-N 2.91Å; A837-L839 VanDerWaalsContact O-N 3.1Å; A837-N840 WeakPolarHBondContact O-CB 3.42Å; A837-N840 PolarHBondContact O-N 3.02Å
838	F	95.3	Very high	93.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57.8	-27.6	-175.8	65.4	-108	0	0	0	114.4	Y598 V801 L831 L834 H836 N840 F841 F848 A851	Y598-F838 AromaticContact CD1-CD1 3.68Å; Y598-F838 HydrophobicContact CD1-CD1 3.68Å; Y598-F838 AromaticContact CD1-CE1 3.43Å; Y598-F838 HydrophobicContact CD1-CE1 3.43Å; Y598-F838 VanDerWaalsContact CD1-CE1 3.43Å; Y598-F838 HydrophobicContact CD1-CG 4.49Å; Y598-F838 HydrophobicContact CD1-CZ 4.03Å; Y598-F838 AromaticContact CE1-CD1 3.79Å; Y598-F838 HydrophobicContact CE1-CD1 3.79Å; Y598-F838 HydrophobicContact CE1-CD2 4.46Å; Y598-F838 AromaticContact CE1-CE1 3.71Å; Y598-F838 HydrophobicContact CE1-CE1 3.71Å; Y598-F838 HydrophobicContact CE1-CE2 4.35Å; Y598-F838 HydrophobicContact CE1-CG 4.16Å; Y598-F838 AromaticContact CE1-CZ 3.96Å; Y598-F838 HydrophobicContact CE1-CZ 3.96Å; V801-F838 HydrophobicContact CG1-CE1 4.37Å; V801-F838 HydrophobicContact CG1-CZ 3.74Å; L831-F838 HydrophobicContact CD1-CE1 4.17Å; L831-F838 HydrophobicContact CD1-CE2 3.94Å; L831-F838 HydrophobicContact CD1-CZ 3.73Å; L834-F838 HydrophobicContact CB-CB 3.97Å; L834-F838 HydrophobicContact CB-CD1 4.26Å; L834-F838 HydrophobicContact CB-CG 4.31Å; L834-F838 HydrophobicContact CD1-CB 4.11Å; L834-F838 HydrophobicContact CD1-CD1 4.23Å; L834-F838 HydrophobicContact CD1-CD2 4.19Å; L834-F838 HydrophobicContact CD1-CG 3.93Å; L834-F838 HydrophobicContact CG-CB 4.45Å; H836-F838 PolarHBondContact O-N 3.36Å; F838-N840 VanDerWaalsContact C-N 3.25Å; F838-N840 PolarHBondContact O-N 2.95Å; F838-F841 PolarHBondContact O-N 3.16Å; F838-F848 HydrophobicContact CB-CD1 3.86Å; F838-F848 HydrophobicContact CB-CE1 3.97Å; F838-F848 VanDerWaalsContact O-CD1 3.32Å; F838-F848 WeakPolarHBondContact O-CD1 3.48Å; F838-A851 HydrophobicContact CD2-CB 3.79Å; F838-A851 HydrophobicContact CE2-CB 3.94Å
839	L	95.1	Very high	93.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.7	-33.5	176.5	-69.4	173.6	0	0	0	111.6	F509 W513 A597 Y598 A837 F841 C842 N852 C855	F509-L839 HydrophobicContact CD1-CB 3.84Å; F509-L839 WeakPolarHBondContact CD1-O 3.48Å; F509-L839 HydrophobicContact CE1-CB 3.82Å; F509-L839 HydrophobicContact CE2-CD1 4.38Å; F509-L839 HydrophobicContact CG-CB 4.23Å; F509-L839 HydrophobicContact CZ-CB 4.18Å; F509-L839 HydrophobicContact CZ-CD1 4.43Å; W513-L839 HydrophobicContact CZ2-CD1 4.4Å; W513-L839 HydrophobicContact CZ2-CD2 4.43Å; A597-L839 HydrophobicContact CB-CD1 3.94Å; Y598-L839 HydrophobicContact CE1-CD1 4.38Å; Y598-L839 HydrophobicContact CE1-CG 4.27Å; A837-L839 PolarHBondContact O-N 2.91Å; A837-L839 VanDerWaalsContact O-N 3.1Å; L839-F841 PolarHBondContact O-N 3.28Å; L839-F841 VanDerWaalsContact O-N 3.11Å; L839-C842 VanDerWaalsContact O-CB 3.32Å; L839-C842 WeakPolarHBondContact O-CB 3.38Å; L839-C842 PolarHBondContact O-N 3.3Å; L839-C842 VanDerWaalsContact O-N 3.1Å; L839-C842 PolarHBondContact O-SG 3.2Å; L839-C842 VanDerWaalsContact O-SG 3.42Å; L839-N852 HydrophobicContact CD2-CB 4.32Å; L839-C855 HydrophobicContact CD2-CB 4.25Å
840	N	91.2	Very high	93.8	Very high	42 Å²	42	34.6 Å²	34.6	23%	0.225	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-66.4	-16.6	179.9	-59.8	-2.7	0	0	0	112.1	Q506 N508 F509 A837 F838	Q506-N840 PolarHBondContact NE2-OD1 2.93Å; Q506-N840 PolarHBondContact OE1-OD1 3.2Å; N508-N840 WeakPolarHBondContact ND2-CA 3.34Å; N508-N840 PolarHBondContact ND2-O 3.26Å; F509-N840 WeakPolarHBondContact CE1-OD1 3.49Å; A837-N840 WeakPolarHBondContact O-CB 3.42Å; A837-N840 PolarHBondContact O-N 3.02Å; F838-N840 VanDerWaalsContact C-N 3.25Å; F838-N840 PolarHBondContact O-N 2.95Å
841	F	90.9	Very high	93.7	Very high	21 Å²	21	33.6 Å²	33.6	9%	0.092	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-104.4	12.1	179.1	-51.1	-51.5	0	0	0	113.4	I271 L275 L619 P835 F838 L839 L843 L844 F848	I271-F841 HydrophobicContact CD1-CB 4.16Å; I271-F841 HydrophobicContact CD1-CG 4.37Å; I271-F841 HydrophobicContact CG2-CD1 3.91Å; I271-F841 HydrophobicContact CG2-CE1 3.87Å; I271-F841 HydrophobicContact CG2-CZ 4.49Å; L275-F841 HydrophobicContact CD1-CE1 3.95Å; L275-F841 HydrophobicContact CD1-CZ 4.15Å; L619-F841 HydrophobicContact CD1-CE2 3.81Å; L619-F841 HydrophobicContact CD1-CZ 4.01Å; L619-F841 HydrophobicContact CD2-CZ 4.25Å; P835-F841 HydrophobicContact CG-CD2 4.33Å; P835-F841 HydrophobicContact CG-CE2 4.17Å; F838-F841 PolarHBondContact O-N 3.16Å; L839-F841 PolarHBondContact O-N 3.28Å; L839-F841 VanDerWaalsContact O-N 3.11Å; F841-L843 PolarHBondContact O-N 3.37Å; F841-L844 HydrophobicContact CD1-CD1 4.06Å; F841-L844 PolarHBondContact O-N 3.07Å; F841-F848 HydrophobicContact CB-CB 4.41Å; F841-F848 HydrophobicContact CB-CD1 3.8Å; F841-F848 HydrophobicContact CB-CD2 3.65Å; F841-F848 HydrophobicContact CB-CE1 3.82Å; F841-F848 HydrophobicContact CB-CE2 3.7Å; F841-F848 HydrophobicContact CB-CG 3.7Å; F841-F848 HydrophobicContact CB-CZ 3.76Å; F841-F848 HydrophobicContact CD2-CD1 4.46Å; F841-F848 AromaticContact CD2-CE1 3.81Å; F841-F848 HydrophobicContact CD2-CE1 3.81Å; F841-F848 AromaticContact CD2-CZ 3.89Å; F841-F848 HydrophobicContact CD2-CZ 3.89Å; F841-F848 HydrophobicContact CG-CE1 4.28Å; F841-F848 HydrophobicContact CG-CE2 4.45Å; F841-F848 HydrophobicContact CG-CZ 4.16Å; F841-F848 VanDerWaalsContact O-CB 3.26Å; F841-F848 WeakPolarHBondContact O-CB 3.45Å; F841-F848 WeakPolarHBondContact O-CD2 3.43Å; F841-F848 WeakPolarHBondContact O-CG 3.4Å
842	C	89.5	Confident	93.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.1	-175.8	65.9	0	0	0	0	114.8	F509 L839 Q849 N852	F509-C842 HydrophobicContact CB-CB 4.46Å; L839-C842 VanDerWaalsContact O-CB 3.32Å; L839-C842 WeakPolarHBondContact O-CB 3.38Å; L839-C842 PolarHBondContact O-N 3.3Å; L839-C842 VanDerWaalsContact O-N 3.1Å; L839-C842 PolarHBondContact O-SG 3.2Å; L839-C842 VanDerWaalsContact O-SG 3.42Å; C842-Q849 WeakPolarHBondContact O-CG 3.46Å; C842-N852 HydrophobicContact CB-CB 4.02Å
843	L	88.5	Confident	93.9	Very high	46 Å²	46	33.9 Å²	33.9	24%	0.241	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.8	178.1	-57.5	-177.3	0	0	0	114	P345 L349 N508 I512 W675 F841	P345-L843 HydrophobicContact CB-CD1 3.96Å; P345-L843 HydrophobicContact CG-CD1 4.45Å; L349-L843 HydrophobicContact CD2-CD1 3.89Å; L349-L843 HydrophobicContact CD2-CD2 4.06Å; L349-L843 HydrophobicContact CG-CD1 4.33Å; N508-L843 HydrophobicContact CB-CD1 4.21Å; I512-L843 HydrophobicContact CD1-CD2 4.04Å; W675-L843 HydrophobicContact CH2-CD1 4.04Å; W675-L843 HydrophobicContact CZ2-CD1 4.45Å; F841-L843 PolarHBondContact O-N 3.37Å
844	L	87.7	Confident	94.1	Very high	75 Å²	75	33.3 Å²	33.3	39%	0.393	17%	0.172	S	C	.	.	S	Bend	trans	-108.9	2.1	-164.5	-57.3	179.2	0	0	0	114.2	I271 F841	I271-L844 HydrophobicContact CD1-CB 3.36Å; I271-L844 HydrophobicContact CD1-CD1 3.86Å; I271-L844 HydrophobicContact CD1-CG 4.27Å; I271-L844 HydrophobicContact CG1-CB 4.09Å; I271-L844 HydrophobicContact CG1-CD1 4.12Å; I271-L844 HydrophobicContact CG2-CD1 4.27Å; F841-L844 HydrophobicContact CD1-CD1 4.06Å; F841-L844 PolarHBondContact O-N 3.07Å
845	G	89.5	Confident	94.2	Very high	7 Å²	7	33 Å²	33	7%	0.072	17%	0.171	C	C	.	.			trans	-177.3	152.4	176.1	0	0	0	0	0	114.3	S267 E847 F848 Q849	S267-G845 WeakPolarHBondContact OG-CA 3.36Å; G845-E847 VanDerWaalsContact C-N 3.28Å; G845-E847 PolarHBondContact O-N 3.37Å; G845-F848 PolarHBondContact O-N 2.81Å; G845-Q849 WeakPolarHBondContact O-CG 3.39Å; G845-Q849 PolarHBondContact O-N 3.45Å; G845-Q849 VanDerWaalsContact O-N 3.13Å
846	P	94.2	Very high	94.3	Very high	74 Å²	74	33 Å²	33	48%	0.481	17%	0.171	S	C	.	.	H	α-helix	trans	-62.2	-34.1	-178.5	24.6	-33.6	0	0	0	113	F848 Q849 I850	P846-F848 VanDerWaalsContact C-N 3.34Å; P846-F848 PolarHBondContact O-N 2.91Å; P846-Q849 PolarHBondContact O-N 3.46Å; P846-I850 VanDerWaalsContact O-CG1 3.32Å; P846-I850 WeakPolarHBondContact O-CG1 3.26Å; P846-I850 PolarHBondContact O-N 3.31Å
847	E	96.4	Very high	94.4	Very high	53 Å²	53	36.8 Å²	36.8	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-42.7	178.3	-56.3	92.7	150.7	0	0	111.1	C265 P266 S267 L834 G845 I850 A851	C265-E847 HydrophobicContact CB-CB 4.39Å; C265-E847 HydrophobicContact CB-CG 3.93Å; P266-E847 WeakPolarHBondContact CD-OE1 3.4Å; S267-E847 WeakPolarHBondContact CB-OE2 3.48Å; S267-E847 PolarHBondContact OG-OE2 3.31Å; L834-E847 HydrophobicContact CD2-CB 4.03Å; G845-E847 VanDerWaalsContact C-N 3.28Å; G845-E847 PolarHBondContact O-N 3.37Å; E847-I850 PolarHBondContact O-N 2.86Å; E847-A851 WeakPolarHBondContact O-CB 3.39Å; E847-A851 PolarHBondContact O-N 2.93Å
848	F	94.7	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.7	-34.2	176.1	-56.7	-65.1	0	0	0	112.8	A268 I271 L834 P835 F838 F841 G845 P846 A851 N852	A268-F848 HydrophobicContact CB-CZ 3.77Å; I271-F848 HydrophobicContact CD1-CD2 4.25Å; I271-F848 HydrophobicContact CD1-CE2 3.51Å; I271-F848 HydrophobicContact CD1-CZ 4.22Å; L834-F848 HydrophobicContact CD2-CD1 3.85Å; L834-F848 HydrophobicContact CD2-CE1 3.86Å; P835-F848 HydrophobicContact CG-CE1 4.17Å; P835-F848 HydrophobicContact CG-CZ 4.43Å; F838-F848 HydrophobicContact CB-CD1 3.86Å; F838-F848 HydrophobicContact CB-CE1 3.97Å; F838-F848 VanDerWaalsContact O-CD1 3.32Å; F838-F848 WeakPolarHBondContact O-CD1 3.48Å; F841-F848 HydrophobicContact CB-CB 4.41Å; F841-F848 HydrophobicContact CB-CD1 3.8Å; F841-F848 HydrophobicContact CB-CD2 3.65Å; F841-F848 HydrophobicContact CB-CE1 3.82Å; F841-F848 HydrophobicContact CB-CE2 3.7Å; F841-F848 HydrophobicContact CB-CG 3.7Å; F841-F848 HydrophobicContact CB-CZ 3.76Å; F841-F848 HydrophobicContact CD2-CD1 4.46Å; F841-F848 AromaticContact CD2-CE1 3.81Å; F841-F848 HydrophobicContact CD2-CE1 3.81Å; F841-F848 AromaticContact CD2-CZ 3.89Å; F841-F848 HydrophobicContact CD2-CZ 3.89Å; F841-F848 HydrophobicContact CG-CE1 4.28Å; F841-F848 HydrophobicContact CG-CE2 4.45Å; F841-F848 HydrophobicContact CG-CZ 4.16Å; F841-F848 VanDerWaalsContact O-CB 3.26Å; F841-F848 WeakPolarHBondContact O-CB 3.45Å; F841-F848 WeakPolarHBondContact O-CD2 3.43Å; F841-F848 WeakPolarHBondContact O-CG 3.4Å; G845-F848 PolarHBondContact O-N 2.81Å; P846-F848 VanDerWaalsContact C-N 3.34Å; P846-F848 PolarHBondContact O-N 2.91Å; F848-A851 PolarHBondContact O-N 2.81Å; F848-N852 VanDerWaalsContact O-CB 3.3Å; F848-N852 WeakPolarHBondContact O-CB 3.14Å; F848-N852 PolarHBondContact O-N 3.1Å
849	Q	94.8	Very high	94.6	Very high	95 Å²	95	36.3 Å²	36.3	44%	0.444	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-41.2	174.7	-69.4	175.4	0.5	0	0	111.7	C842 G845 P846 N852 K853	C842-Q849 WeakPolarHBondContact O-CG 3.46Å; G845-Q849 WeakPolarHBondContact O-CG 3.39Å; G845-Q849 PolarHBondContact O-N 3.45Å; G845-Q849 VanDerWaalsContact O-N 3.13Å; P846-Q849 PolarHBondContact O-N 3.46Å; Q849-N852 PolarHBondContact O-N 2.91Å; Q849-K853 WeakPolarHBondContact O-CG 3.42Å; Q849-K853 PolarHBondContact O-N 2.83Å
850	I	96.5	Very high	94.7	Very high	88 Å²	88	38.6 Å²	38.6	45%	0.451	19%	0.194	S	C	.	.	H	α-helix	trans	-64.1	-47.5	175.5	-67.8	165.1	0	0	0	109.8	M25 P846 E847 N852 K853 I854	M25-I850 HydrophobicContact CE-CG2 4.35Å; P846-I850 VanDerWaalsContact O-CG1 3.32Å; P846-I850 WeakPolarHBondContact O-CG1 3.26Å; P846-I850 PolarHBondContact O-N 3.31Å; E847-I850 PolarHBondContact O-N 2.86Å; I850-N852 VanDerWaalsContact C-N 3.33Å; I850-N852 PolarHBondContact O-N 3.21Å; I850-K853 WeakPolarHBondContact O-CB 3.38Å; I850-K853 PolarHBondContact O-N 2.96Å; I850-I854 HydrophobicContact CG2-CD1 4.13Å; I850-I854 WeakPolarHBondContact O-CG1 3.37Å; I850-I854 PolarHBondContact O-N 3.32Å
851	A	97	Very high	95	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-47.5	175.7	0	0	0	0	0	112.1	L831 L834 F838 E847 F848 K853 I854 C855	L831-A851 HydrophobicContact CD1-CB 3.65Å; L834-A851 HydrophobicContact CD1-CB 3.49Å; L834-A851 VanDerWaalsContact CD1-CB 3.49Å; F838-A851 HydrophobicContact CD2-CB 3.79Å; F838-A851 HydrophobicContact CE2-CB 3.94Å; E847-A851 WeakPolarHBondContact O-CB 3.39Å; E847-A851 PolarHBondContact O-N 2.93Å; F848-A851 PolarHBondContact O-N 2.81Å; A851-K853 VanDerWaalsContact C-N 3.33Å; A851-K853 PolarHBondContact O-N 3.11Å; A851-I854 WeakPolarHBondContact O-CB 3.49Å; A851-I854 PolarHBondContact O-N 2.99Å; A851-C855 PolarHBondContact O-N 2.73Å; A851-C855 PolarHBondContact O-SG 3.07Å
852	N	97.2	Very high	95.3	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-40.6	178.1	-171.9	48.1	0	0	0	112.4	W513 L839 C842 F848 Q849 I850 C855 I856	W513-N852 PolarHBondContact NE1-OD1 3.17Å; L839-N852 HydrophobicContact CD2-CB 4.32Å; C842-N852 HydrophobicContact CB-CB 4.02Å; F848-N852 VanDerWaalsContact O-CB 3.3Å; F848-N852 WeakPolarHBondContact O-CB 3.14Å; F848-N852 PolarHBondContact O-N 3.1Å; Q849-N852 PolarHBondContact O-N 2.91Å; I850-N852 VanDerWaalsContact C-N 3.33Å; I850-N852 PolarHBondContact O-N 3.21Å; N852-C855 PolarHBondContact O-N 3.28Å; N852-I856 WeakPolarHBondContact O-CG1 3.38Å; N852-I856 PolarHBondContact O-N 2.98Å
853	K	97.2	Very high	95.5	Very high	120 Å²	120	37.8 Å²	37.8	52%	0.522	19%	0.19	S	C	.	.	H	α-helix	trans	-62.4	-43.1	175	-75	176.3	-179.6	-177.9	0	112	Q849 I850 A851 C855 I856 E857	Q849-K853 WeakPolarHBondContact O-CG 3.42Å; Q849-K853 PolarHBondContact O-N 2.83Å; I850-K853 WeakPolarHBondContact O-CB 3.38Å; I850-K853 PolarHBondContact O-N 2.96Å; A851-K853 VanDerWaalsContact C-N 3.33Å; A851-K853 PolarHBondContact O-N 3.11Å; K853-C855 VanDerWaalsContact C-N 3.31Å; K853-C855 PolarHBondContact O-N 2.85Å; K853-I856 PolarHBondContact O-N 2.9Å; K853-E857 PolarHBondContact O-N 2.81Å; K853-E857 VanDerWaalsContact O-N 3.07Å
854	I	97.5	Very high	95.7	Very high	39 Å²	39	40.4 Å²	40.4	20%	0.2	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-46.4	175.4	-67	166.5	0	0	0	110	L831 I850 A851 I856 E857 L858	L831-I854 HydrophobicContact CD2-CD1 4.03Å; L831-I854 HydrophobicContact CD2-CG2 4.49Å; I850-I854 HydrophobicContact CG2-CD1 4.13Å; I850-I854 WeakPolarHBondContact O-CG1 3.37Å; I850-I854 PolarHBondContact O-N 3.32Å; A851-I854 WeakPolarHBondContact O-CB 3.49Å; A851-I854 PolarHBondContact O-N 2.99Å; I854-I856 VanDerWaalsContact C-N 3.35Å; I854-I856 PolarHBondContact O-N 3.13Å; I854-E857 PolarHBondContact O-N 2.71Å; I854-L858 HydrophobicContact CG2-CD1 3.95Å; I854-L858 HydrophobicContact CG2-CG 4.43Å; I854-L858 VanDerWaalsContact O-CG 3.3Å; I854-L858 WeakPolarHBondContact O-CG 3.36Å; I854-L858 PolarHBondContact O-N 2.97Å
855	C	98.4	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-42.4	177.9	-61.3	0	0	0	0	112.7	W513 F595 L839 A851 N852 K853 L858 V859	W513-C855 HydrophobicContact CH2-CB 4.23Å; W513-C855 HydrophobicContact CZ2-CB 3.66Å; F595-C855 HydrophobicContact CE2-CB 3.94Å; F595-C855 HydrophobicContact CZ-CB 3.6Å; L839-C855 HydrophobicContact CD2-CB 4.25Å; A851-C855 PolarHBondContact O-N 2.73Å; A851-C855 PolarHBondContact O-SG 3.07Å; N852-C855 PolarHBondContact O-N 3.28Å; K853-C855 VanDerWaalsContact C-N 3.31Å; K853-C855 PolarHBondContact O-N 2.85Å; C855-L858 PolarHBondContact O-N 3.37Å; C855-V859 WeakPolarHBondContact O-CG2 3.41Å; C855-V859 PolarHBondContact O-N 3.47Å
856	I	98.2	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-46.7	176.7	-68.5	166.3	0	0	0	111.1	I512 W513 Q516 L517 N852 K853 I854 L858 V859 K860	I512-I856 HydrophobicContact CG2-CD1 3.97Å; W513-I856 VanDerWaalsContact CD1-CG1 3.43Å; W513-I856 HydrophobicContact CD2-CG1 4.14Å; W513-I856 HydrophobicContact CG-CD1 4.34Å; W513-I856 HydrophobicContact CG-CG1 3.87Å; Q516-I856 HydrophobicContact CB-CD1 4.34Å; Q516-I856 HydrophobicContact CB-CG2 3.86Å; Q516-I856 HydrophobicContact CG-CD1 4.43Å; L517-I856 HydrophobicContact CD2-CG2 3.96Å; L517-I856 HydrophobicContact CG-CG2 4.43Å; N852-I856 WeakPolarHBondContact O-CG1 3.38Å; N852-I856 PolarHBondContact O-N 2.98Å; K853-I856 PolarHBondContact O-N 2.9Å; I854-I856 VanDerWaalsContact C-N 3.35Å; I854-I856 PolarHBondContact O-N 3.13Å; I856-L858 VanDerWaalsContact C-N 3.32Å; I856-L858 PolarHBondContact O-N 3.35Å; I856-V859 PolarHBondContact O-N 2.9Å; I856-K860 WeakPolarHBondContact O-CG 3.28Å; I856-K860 PolarHBondContact O-N 2.99Å
857	E	97.5	Very high	93.5	Very high	90 Å²	90	40.9 Å²	40.9	42%	0.421	19%	0.189	S	C	.	.	H	α-helix	trans	-63.4	-38.5	179.2	-66.9	-52.5	126.1	0	0	112.1	K853 I854 V859 K860 N861	K853-E857 PolarHBondContact O-N 2.81Å; K853-E857 VanDerWaalsContact O-N 3.07Å; I854-E857 PolarHBondContact O-N 2.71Å; E857-V859 VanDerWaalsContact C-N 3.33Å; E857-V859 PolarHBondContact O-N 2.93Å; E857-K860 WeakPolarHBondContact O-CB 3.42Å; E857-K860 PolarHBondContact O-N 3.44Å; E857-K860 IonicContact OE1-NZ 3.38Å; E857-K860 PolarHBondContact OE1-NZ 3.25Å; E857-K860 IonicContact OE2-NZ 3.72Å; E857-N861 PolarHBondContact O-N 3.14Å; E857-N861 PolarHBondContact O-OD1 3.04Å
858	L	97.7	Very high	92.1	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-38.3	175.3	-66.9	167.2	0	0	0	112.6	F595 V799 V801 R829 I854 C855 I856 N861 L862 Y867	F595-L858 HydrophobicContact CD2-CB 4.46Å; F595-L858 HydrophobicContact CE2-CB 4.37Å; F595-L858 HydrophobicContact CE2-CD1 4.35Å; V799-L858 HydrophobicContact CG1-CB 3.9Å; V799-L858 HydrophobicContact CG1-CD1 3.86Å; V799-L858 HydrophobicContact CG1-CD2 4.31Å; V799-L858 HydrophobicContact CG1-CG 4.25Å; V801-L858 HydrophobicContact CG2-CD1 3.51Å; R829-L858 HydrophobicContact CG-CD1 3.87Å; R829-L858 HydrophobicContact CG-CD2 4.29Å; I854-L858 HydrophobicContact CG2-CD1 3.95Å; I854-L858 HydrophobicContact CG2-CG 4.43Å; I854-L858 VanDerWaalsContact O-CG 3.3Å; I854-L858 WeakPolarHBondContact O-CG 3.36Å; I854-L858 PolarHBondContact O-N 2.97Å; C855-L858 PolarHBondContact O-N 3.37Å; I856-L858 VanDerWaalsContact C-N 3.32Å; I856-L858 PolarHBondContact O-N 3.35Å; L858-N861 WeakPolarHBondContact O-CB 3.08Å; L858-N861 PolarHBondContact O-N 3.24Å; L858-L862 PolarHBondContact O-N 3.19Å; L858-Y867 WeakPolarHBondContact CD2-OH 3.32Å
859	V	98.1	Very high	90.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-37.9	175.1	173.5	0	0	0	0	111.2	L490 W513 L517 V564 F595 C855 I856 E857 N861 L862 F863	L490-V859 HydrophobicContact CD1-CG1 3.85Å; W513-V859 HydrophobicContact CE3-CG2 4.45Å; W513-V859 HydrophobicContact CH2-CG2 3.98Å; W513-V859 HydrophobicContact CZ3-CG2 3.68Å; L517-V859 HydrophobicContact CD1-CG1 3.73Å; L517-V859 HydrophobicContact CD2-CB 4.23Å; L517-V859 HydrophobicContact CD2-CG1 3.94Å; V564-V859 HydrophobicContact CG1-CG1 4.48Å; F595-V859 HydrophobicContact CB-CG2 3.92Å; F595-V859 HydrophobicContact CD1-CG2 4.4Å; F595-V859 HydrophobicContact CD2-CG2 3.65Å; F595-V859 HydrophobicContact CE2-CG2 4.3Å; F595-V859 HydrophobicContact CG-CG2 3.72Å; C855-V859 WeakPolarHBondContact O-CG2 3.41Å; C855-V859 PolarHBondContact O-N 3.47Å; I856-V859 PolarHBondContact O-N 2.9Å; E857-V859 VanDerWaalsContact C-N 3.33Å; E857-V859 PolarHBondContact O-N 2.93Å; V859-N861 VanDerWaalsContact C-N 3.29Å; V859-N861 PolarHBondContact O-N 3.13Å; V859-L862 WeakPolarHBondContact O-CB 3.29Å; V859-L862 PolarHBondContact O-N 3.18Å; V859-F863 HydrophobicContact CG1-CD2 4.11Å; V859-F863 HydrophobicContact CG1-CE2 3.69Å; V859-F863 WeakPolarHBondContact O-CD2 3Å; V859-F863 PolarHBondContact O-N 3.36Å; V859-F863 VanDerWaalsContact O-N 3.16Å
860	K	97	Very high	88.7	Confident	49 Å²	49	47.2 Å²	47.2	21%	0.213	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-41.6	171.5	-69.3	177.2	-177.4	166.6	0	111.6	Q516 L517 I856 E857 L862 F863 H864	Q516-K860 VanDerWaalsContact O-CE 3.31Å; Q516-K860 WeakPolarHBondContact O-CE 3.32Å; L517-K860 HydrophobicContact CD2-CG 3.54Å; I856-K860 WeakPolarHBondContact O-CG 3.28Å; I856-K860 PolarHBondContact O-N 2.99Å; E857-K860 WeakPolarHBondContact O-CB 3.42Å; E857-K860 PolarHBondContact O-N 3.44Å; E857-K860 IonicContact OE1-NZ 3.38Å; E857-K860 PolarHBondContact OE1-NZ 3.25Å; E857-K860 IonicContact OE2-NZ 3.72Å; K860-L862 VanDerWaalsContact C-N 3.29Å; K860-L862 PolarHBondContact O-N 3.21Å; K860-F863 PolarHBondContact O-N 3.4Å; K860-F863 VanDerWaalsContact O-N 3.15Å; K860-H864 PolarHBondContact O-CD2 3.15Å; K860-H864 PolarHBondContact O-N 3.04Å
861	N	96.2	Very high	86.8	Confident	41 Å²	41	48 Å²	48	22%	0.219	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-36.4	177.4	-69.7	-10.6	0	0	0	112.4	E857 L858 V859 H864 E865 Y866 Y867	E857-N861 PolarHBondContact O-N 3.14Å; E857-N861 PolarHBondContact O-OD1 3.04Å; L858-N861 WeakPolarHBondContact O-CB 3.08Å; L858-N861 PolarHBondContact O-N 3.24Å; V859-N861 VanDerWaalsContact C-N 3.29Å; V859-N861 PolarHBondContact O-N 3.13Å; N861-H864 PolarHBondContact O-N 3.04Å; N861-E865 PolarHBondContact O-N 3.26Å; N861-Y866 HydrophobicContact CB-CD1 4.28Å; N861-Y866 HydrophobicContact CB-CG 4.31Å; N861-Y866 WeakPolarHBondContact O-CB 3.49Å; N861-Y866 PolarHBondContact O-N 3Å; N861-Y866 VanDerWaalsContact O-N 3.11Å; N861-Y867 HydrophobicContact CB-CD2 4.33Å; N861-Y867 HydrophobicContact CB-CE2 3.47Å; N861-Y867 VanDerWaalsContact CB-CE2 3.47Å
862	L	96.8	Very high	84.5	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-44	172.9	-70.7	171.2	0	0	0	111.6	V564 F595 P797 V799 L858 V859 K860 H864 E865 Y867	V564-L862 HydrophobicContact CG1-CB 4.22Å; V564-L862 HydrophobicContact CG1-CD1 3.82Å; V564-L862 HydrophobicContact CG2-CB 3.87Å; F595-L862 HydrophobicContact CB-CD1 4.01Å; P797-L862 HydrophobicContact CB-CD2 3.99Å; V799-L862 HydrophobicContact CB-CD1 4.26Å; V799-L862 HydrophobicContact CG2-CD1 3.98Å; V799-L862 HydrophobicContact CG2-CD2 3.86Å; V799-L862 HydrophobicContact CG2-CG 3.88Å; L858-L862 PolarHBondContact O-N 3.19Å; V859-L862 WeakPolarHBondContact O-CB 3.29Å; V859-L862 PolarHBondContact O-N 3.18Å; K860-L862 VanDerWaalsContact C-N 3.29Å; K860-L862 PolarHBondContact O-N 3.21Å; L862-H864 VanDerWaalsContact C-N 3.34Å; L862-H864 PolarHBondContact O-N 3.17Å; L862-E865 PolarHBondContact O-N 3.28Å; L862-Y867 HydrophobicContact CD2-CD2 3.83Å; L862-Y867 HydrophobicContact CD2-CE2 3.95Å; L862-Y867 HydrophobicContact CG-CD2 4.41Å; L862-Y867 HydrophobicContact CG-CE2 4.11Å
863	F	95.5	Very high	83.8	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-37	177.1	-74.7	-54	0	0	0	113.5	Y488 I489 L490 L517 V564 V859 K860 E865	Y488-F863 HydrophobicContact CD1-CB 3.88Å; Y488-F863 AromaticContact CD1-CD1 3.54Å; Y488-F863 HydrophobicContact CD1-CD1 3.54Å; Y488-F863 HydrophobicContact CD1-CE1 4.32Å; Y488-F863 AromaticContact CD1-CG 3.9Å; Y488-F863 HydrophobicContact CD1-CG 3.9Å; Y488-F863 HydrophobicContact CD2-CB 4.41Å; Y488-F863 HydrophobicContact CD2-CG 4.37Å; Y488-F863 HydrophobicContact CE1-CB 3.93Å; Y488-F863 HydrophobicContact CE1-CD1 4.38Å; Y488-F863 HydrophobicContact CE1-CG 4.45Å; Y488-F863 HydrophobicContact CE2-CB 4.45Å; Y488-F863 HydrophobicContact CG-CB 4.15Å; Y488-F863 AromaticContact CG-CD1 3.69Å; Y488-F863 HydrophobicContact CG-CD1 3.69Å; Y488-F863 HydrophobicContact CG-CD2 4.48Å; Y488-F863 HydrophobicContact CG-CE1 4.18Å; Y488-F863 AromaticContact CG-CG 3.88Å; Y488-F863 HydrophobicContact CG-CG 3.88Å; I489-F863 WeakPolarHBondContact O-CE1 3.22Å; L490-F863 HydrophobicContact CB-CZ 4.19Å; L490-F863 HydrophobicContact CD1-CZ 4.18Å; L517-F863 HydrophobicContact CD1-CE2 4.41Å; V564-F863 HydrophobicContact CB-CD1 4.19Å; V564-F863 HydrophobicContact CB-CE1 3.59Å; V564-F863 HydrophobicContact CB-CZ 3.82Å; V564-F863 HydrophobicContact CG2-CD1 3.43Å; V564-F863 VanDerWaalsContact CG2-CD1 3.43Å; V564-F863 HydrophobicContact CG2-CE1 3.36Å; V564-F863 HydrophobicContact CG2-CG 4.07Å; V564-F863 HydrophobicContact CG2-CZ 3.98Å; V859-F863 HydrophobicContact CG1-CD2 4.11Å; V859-F863 HydrophobicContact CG1-CE2 3.69Å; V859-F863 WeakPolarHBondContact O-CD2 3Å; V859-F863 PolarHBondContact O-N 3.36Å; V859-F863 VanDerWaalsContact O-N 3.16Å; K860-F863 PolarHBondContact O-N 3.4Å; K860-F863 VanDerWaalsContact O-N 3.15Å; F863-E865 VanDerWaalsContact C-N 3.28Å; F863-E865 PolarHBondContact O-N 3.36Å
864	H	91.1	Very high	83.1	Confident	101 Å²	101	57 Å²	57	47%	0.468	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	7.1	-177.7	-64.9	-46.7	0	0	0	114.6	Y488 K860 N861 L862 Y866	Y488-H864 PolarHBondContact OH-ND1 2.74Å; K860-H864 PolarHBondContact O-CD2 3.15Å; K860-H864 PolarHBondContact O-N 3.04Å; N861-H864 PolarHBondContact O-N 3.04Å; L862-H864 VanDerWaalsContact C-N 3.34Å; L862-H864 PolarHBondContact O-N 3.17Å; H864-Y866 PolarHBondContact O-N 2.93Å; H864-Y866 VanDerWaalsContact O-N 3.15Å
865	E	78.1	Confident	82.3	Confident	66 Å²	66	58 Å²	58	31%	0.308	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	28.3	-179.2	-62.4	173.3	167	0	0	113.1	K562 N861 L862 F863 Y867 I868 K869	K562-E865 WeakPolarHBondContact CE-OE1 3.08Å; K562-E865 IonicContact NZ-OE1 2.77Å; K562-E865 PolarHBondContact NZ-OE1 3.08Å; K562-E865 IonicContact NZ-OE2 3.73Å; K562-E865 PolarHBondContact NZ-OE2 3.49Å; N861-E865 PolarHBondContact O-N 3.26Å; L862-E865 PolarHBondContact O-N 3.28Å; F863-E865 VanDerWaalsContact C-N 3.28Å; F863-E865 PolarHBondContact O-N 3.36Å; E865-Y867 PolarHBondContact O-N 3.31Å; E865-I868 HydrophobicContact CB-CB 4.28Å; E865-I868 HydrophobicContact CB-CD1 4.2Å; E865-I868 HydrophobicContact CG-CD1 4Å; E865-I868 PolarHBondContact O-N 3.5Å; E865-I868 VanDerWaalsContact O-N 3.15Å; E865-K869 PolarHBondContact O-N 3Å
866	Y	74.2	Confident	81.4	Confident	85 Å²	85	61.4 Å²	61.4	33%	0.333	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.9	-179.6	176.9	-98.2	0	0	0	111.3	T28 N861 H864 I870	T28-Y866 VanDerWaalsContact CG2-OH 3.27Å; T28-Y866 WeakPolarHBondContact CG2-OH 3.3Å; N861-Y866 HydrophobicContact CB-CD1 4.28Å; N861-Y866 HydrophobicContact CB-CG 4.31Å; N861-Y866 WeakPolarHBondContact O-CB 3.49Å; N861-Y866 PolarHBondContact O-N 3Å; N861-Y866 VanDerWaalsContact O-N 3.11Å; H864-Y866 PolarHBondContact O-N 2.93Å; H864-Y866 VanDerWaalsContact O-N 3.15Å; Y866-I870 HydrophobicContact CD1-CD1 3.8Å; Y866-I870 HydrophobicContact CD2-CD1 4.41Å; Y866-I870 HydrophobicContact CE1-CD1 3.22Å; Y866-I870 HydrophobicContact CE2-CD1 3.92Å; Y866-I870 HydrophobicContact CG-CD1 4.35Å; Y866-I870 WeakPolarHBondContact O-CG1 3.44Å; Y866-I870 PolarHBondContact O-N 3.18Å; Y866-I870 WeakPolarHBondContact OH-CD1 3.32Å
867	Y	73.5	Confident	80.3	Confident	14 Å²	14	65.3 Å²	65.3	6%	0.055	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-24.2	-177.3	-54.7	-73	0	0	0	114.4	V799 S825 D827 L858 N861 L862 E865	V799-Y867 HydrophobicContact CG2-CD2 4.49Å; V799-Y867 HydrophobicContact CG2-CE2 3.67Å; S825-Y867 VanDerWaalsContact OG-CB 3.3Å; S825-Y867 WeakPolarHBondContact OG-CB 3.48Å; D827-Y867 HydrophobicContact CB-CD1 4.22Å; D827-Y867 HydrophobicContact CB-CE1 3.57Å; D827-Y867 WeakPolarHBondContact OD2-CE1 3.17Å; D827-Y867 PolarHBondContact OD2-OH 3.33Å; L858-Y867 WeakPolarHBondContact CD2-OH 3.32Å; N861-Y867 HydrophobicContact CB-CD2 4.33Å; N861-Y867 HydrophobicContact CB-CE2 3.47Å; N861-Y867 VanDerWaalsContact CB-CE2 3.47Å; L862-Y867 HydrophobicContact CD2-CD2 3.83Å; L862-Y867 HydrophobicContact CD2-CE2 3.95Å; L862-Y867 HydrophobicContact CG-CD2 4.41Å; L862-Y867 HydrophobicContact CG-CE2 4.11Å; E865-Y867 PolarHBondContact O-N 3.31Å
868	I	66.5	Low	79.2	Confident	61 Å²	61	63.6 Å²	63.6	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-71	-46.2	173.5	-63.4	175.6	0	0	0	108.9	P797 E865 I870 N871 E872	P797-I868 HydrophobicContact CG-CD1 4.27Å; P797-I868 HydrophobicContact CG-CG1 3.75Å; E865-I868 HydrophobicContact CB-CB 4.28Å; E865-I868 HydrophobicContact CB-CD1 4.2Å; E865-I868 HydrophobicContact CG-CD1 4Å; E865-I868 PolarHBondContact O-N 3.5Å; E865-I868 VanDerWaalsContact O-N 3.15Å; I868-I870 PolarHBondContact O-N 3.4Å; I868-N871 PolarHBondContact O-N 3.3Å; I868-E872 PolarHBondContact O-N 3.38Å
869	K	57.6	Low	77.9	Confident	134 Å²	134	67.9 Å²	67.9	58%	0.583	32%	0.319	S	S	*	.	H	α-helix	trans	-68	-14.8	-178.3	-68.1	173	-179.3	164.7	0	115.7	E865	E865-K869 PolarHBondContact O-N 3Å
870	I	60.9	Low	76.3	Confident	87 Å²	87	73.2 Å²	73.2	45%	0.446	34%	0.344	S	S	.	.	H	α-helix	trans	-88.8	-28.3	176.4	-75.1	173.2	0	0	0	111.4	Y866 I868	Y866-I870 HydrophobicContact CD1-CD1 3.8Å; Y866-I870 HydrophobicContact CD2-CD1 4.41Å; Y866-I870 HydrophobicContact CE1-CD1 3.22Å; Y866-I870 HydrophobicContact CE2-CD1 3.92Å; Y866-I870 HydrophobicContact CG-CD1 4.35Å; Y866-I870 WeakPolarHBondContact O-CG1 3.44Å; Y866-I870 PolarHBondContact O-N 3.18Å; Y866-I870 WeakPolarHBondContact OH-CD1 3.32Å; I868-I870 PolarHBondContact O-N 3.4Å
871	N	56.2	Low	74.6	Confident	105 Å²	105	75.2 Å²	75.2	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-84.4	-28.4	179.2	-80.6	4.9	0	0	0	112.6	S825 I868	S825-N871 WeakPolarHBondContact CB-ND2 3.48Å; I868-N871 PolarHBondContact O-N 3.3Å
872	E	48.3	Very low	72.6	Confident	201 Å²	201	78.3 Å²	78.3	94%	0.939	37%	0.367	S	S	*	.			trans	-71.7	0	164.7	-67.5	178.7	176.5	0	0	111.3	I868	I868-E872 PolarHBondContact O-N 3.38Å

Retrieved 872 of 872 residues in 2459.8 ms (Link to these results)

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