A0A087XIA8_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XIA8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 933 aa.

						>A0A087XIA8_POEFO|A0A087XIA8
MVMADSVQKPLLRGPVRVGFYDIERTLGKGNFAVVKLARHRITKTEVAIKIIDKTQLDAVNLEKIYREVQIMKMLDHPHIIKLYQVMETKNMLYLVTEYAKNGEIFDYLAKHGRLSELEARRKFWQILSAVEYCHNRNIVHRDLKAENLLLDGHMNIKIADFGFANFFQPGEPLATWCGSPPYAAPEVFEGQQYEGPQLDIWSMGVVLYVLVCGALPFDGPTLPVLRQRVLEGRFRIPYFMTEDCEHLIRRMLVLDPSKRLSLAQIKEHKWMALDVPVQRPVLYQQPLSAEGEVGVGEYSEQVLRLMHSLGIDQHKTIESLQNKSYNHFAAIYYLLVERLKAHRCSFPVEQRLDARQRRPSTIAEQTVIKSTSGSAQVGLPLQGVRLLRPPTVPQSTSDACSFPQTVSPLEQNFMVEDIGTPKVNGCLLDPLPPTTVLRKSSTSSPSNMMETSIDEGIETEEPDAEDDPAHLLSAYQTARFGQRRHTLSEVTNQPGPSNQGKLFSLGHNPSMGSVDSDIGYDMGSAHSDLGLLEDSPSLSEVIPASGSAASCSPAPFMMARPPNPAMAALTSQHRETHNRSPISFREGRRASDTSLTQGLVAFRQHLQNLARTKGILELNKVQMLVEQMGSGDGAVSGLLGPQHHLHNLLEGEACKQQEGLALYPGEAQPPLLSRRQSLETQYLTHRLQKANILANSPASCQIFCKETPRSLEQQLQEHRLNQKRMYLQQQSQGMGLQAYFNQMQIVEGSYPPVGPSMDPAAPPGPPQGPAMPAGGQQLQQPGGSQAAAPFGHALSLSPLLEPGEGVVYDPYMSHHHYTQHLPHGAHLHPQLHHQLPQDASSCGLGFSFPPGCEQPVLGPPPEALPPDQYELSMNPPSLLHPAPGEAEARAMPGILGGPAQSDSLGMSELPASLLDSEMMETVDSQQGFVLVN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	41.3	Very low	234 Å²	234	151 Å²	151	100%	1.153	83%	0.832	S	S	*	*				0	110.7	0	-162.5	166	87.9	0	0	107.1
2	V	33.8	Very low	42.1	Very low	132 Å²	132	153.1 Å²	153.1	80%	0.8	84%	0.84	S	S	*	*			trans	-133.6	113.2	-177.9	178.2	0	0	0	0	106.6
3	M	39.2	Very low	43.5	Very low	169 Å²	169	159.8 Å²	159.8	83%	0.833	85%	0.845	S	S	*	*			trans	-83.7	122.2	165.1	-65.7	-55.9	-156.3	0	0	107.2
4	A	42.4	Very low	45.2	Very low	90 Å²	90	152.1 Å²	152.1	74%	0.744	82%	0.822	S	S	*	*			trans	-94.8	107.5	170	0	0	0	0	0	107.8	S6	A4-S6 PolarHBondContact O-N 3.25Å
5	D	41.8	Very low	47.2	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	81%	0.805	S	S	*	*			trans	-62.3	105.7	175.2	-75	-43.3	0	0	0	109.6	V7	D5-V7 PolarHBondContact O-N 3.32Å
6	S	39.6	Very low	49.9	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	79%	0.793	S	S	*	*			trans	-75.9	75.4	178.8	45.2	0	0	0	0	110.1	A4 Q8	A4-S6 PolarHBondContact O-N 3.25Å; S6-Q8 VanDerWaalsContact C-N 3.34Å; S6-Q8 PolarHBondContact O-N 3.2Å
7	V	45	Very low	52.4	Low	127 Å²	127	142.9 Å²	142.9	77%	0.77	77%	0.772	S	S	*	*			trans	-57	97.7	171.9	-179.5	0	0	0	0	108.8	D5 K9	D5-V7 PolarHBondContact O-N 3.32Å; V7-K9 PolarHBondContact O-N 3.2Å
8	Q	40	Very low	54.7	Low	177 Å²	177	136.2 Å²	136.2	83%	0.827	74%	0.736	S	S	*	*			trans	-59.8	109.5	172.7	-69.9	-176.3	-8.2	0	0	107.8	S6	S6-Q8 VanDerWaalsContact C-N 3.34Å; S6-Q8 PolarHBondContact O-N 3.2Å
9	K	45.7	Very low	56.7	Low	185 Å²	185	130.9 Å²	130.9	80%	0.804	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-57.2	126.7	164	-72.6	-179.6	178.8	175.7	0	106.6	V7 L11	V7-K9 PolarHBondContact O-N 3.2Å; K9-L11 PolarHBondContact O-N 3.41Å; K9-L11 VanDerWaalsContact O-N 3.16Å
10	P	42	Very low	58.7	Low	118 Å²	118	128 Å²	128	77%	0.766	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-58.4	126.3	176	24.2	-32.7	0	0	0	108.1	L12	P10-L12 PolarHBondContact O-N 3.39Å; P10-L12 VanDerWaalsContact O-N 3.09Å
11	L	46	Very low	60.6	Low	168 Å²	168	121.9 Å²	121.9	88%	0.88	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57.1	122.3	173.5	-79.4	93.1	0	0	0	107.7	K9 R13	K9-L11 PolarHBondContact O-N 3.41Å; K9-L11 VanDerWaalsContact O-N 3.16Å; L11-R13 PolarHBondContact O-N 3.47Å
12	L	51.3	Low	63.3	Low	176 Å²	176	112.6 Å²	112.6	92%	0.921	62%	0.618	S	S	*	*			trans	-67.7	83.1	171.5	-79.2	164.1	0	0	0	107.9	P10 G14	P10-L12 PolarHBondContact O-N 3.39Å; P10-L12 VanDerWaalsContact O-N 3.09Å; L12-G14 PolarHBondContact O-N 3.36Å; L12-G14 VanDerWaalsContact O-N 3.08Å
13	R	60.1	Low	66.4	Low	241 Å²	241	107.3 Å²	107.3	91%	0.909	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-51.6	118.2	175.1	-160.6	178.7	-162.3	179.6	6.4	107.1	L11	L11-R13 PolarHBondContact O-N 3.47Å
14	G	67.3	Low	69	Low	51 Å²	51	103.3 Å²	103.3	53%	0.526	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-54.6	153.3	-172.4	0	0	0	0	0	112	L12 V16	L12-G14 PolarHBondContact O-N 3.36Å; L12-G14 VanDerWaalsContact O-N 3.08Å; G14-V16 PolarHBondContact O-N 3.45Å; G14-V16 VanDerWaalsContact O-N 3.15Å
15	P	74.8	Confident	71.6	Confident	88 Å²	88	105.3 Å²	105.3	57%	0.571	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-54.1	125.4	179.4	23.6	-33.6	0	0	0	109.5	R17	P15-R17 PolarHBondContact O-N 3.47Å
16	V	89.9	Confident	74.1	Confident	101 Å²	101	101 Å²	101	61%	0.612	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57.3	133	-179.9	176.7	0	0	0	0	108	G14 I23	G14-V16 PolarHBondContact O-N 3.45Å; G14-V16 VanDerWaalsContact O-N 3.15Å; V16-I23 HydrophobicContact CB-CB 4.25Å; V16-I23 HydrophobicContact CG1-CB 4.47Å; V16-I23 HydrophobicContact CG1-CG1 4.28Å; V16-I23 VanDerWaalsContact O-CB 3.22Å; V16-I23 WeakPolarHBondContact O-CB 3.31Å; V16-I23 VanDerWaalsContact O-CG1 3.3Å; V16-I23 WeakPolarHBondContact O-CG1 3.4Å; V16-I23 PolarHBondContact O-N 3.44Å
17	R	92.9	Very high	76.6	Confident	112 Å²	112	98.7 Å²	98.7	42%	0.423	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.2	-173.1	-178.3	172.1	-65.6	141.3	7.4	111.3	P15 G19 Y21 D22	P15-R17 PolarHBondContact O-N 3.47Å; R17-G19 WeakPolarHBondContact CD-O 3.43Å; R17-G19 VanDerWaalsContact CG-O 3.31Å; R17-G19 WeakPolarHBondContact CG-O 3.42Å; R17-Y21 WeakPolarHBondContact CA-O 3.47Å; R17-D22 IonicContact CZ-OD1 3.25Å; R17-D22 IonicContact NE-OD1 2.99Å; R17-D22 PolarHBondContact NE-OD1 3.29Å; R17-D22 IonicContact NH2-OD1 3.2Å; R17-D22 PolarHBondContact NH2-OD1 3.26Å; R17-D22 IonicContact NH2-OD2 3.78Å
18	V	93.3	Very high	78.7	Confident	22 Å²	22	94 Å²	94	13%	0.133	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	114.7	166.2	-176.7	0	0	0	0	106.9	F20 Y21 I23 M87 Y94	V18-F20 PolarHBondContact O-N 3Å; V18-Y21 PolarHBondContact N-O 3.48Å; V18-Y21 WeakPolarHBondContact O-CB 3.44Å; V18-Y21 WeakPolarHBondContact O-CD2 3.28Å; V18-Y21 PolarHBondContact O-N 3.34Å; V18-I23 HydrophobicContact CB-CD1 4.44Å; V18-I23 HydrophobicContact CG2-CD1 4.11Å; V18-I23 HydrophobicContact CG2-CG1 4.19Å; V18-M87 HydrophobicContact CG1-CE 3.63Å; V18-M87 HydrophobicContact CG1-SD 4.32Å; V18-Y94 HydrophobicContact CB-CE1 4.46Å; V18-Y94 HydrophobicContact CG1-CD1 3.78Å; V18-Y94 HydrophobicContact CG1-CD2 4.37Å; V18-Y94 HydrophobicContact CG1-CE1 3.79Å; V18-Y94 HydrophobicContact CG1-CE2 4.37Å; V18-Y94 HydrophobicContact CG1-CG 4.1Å; V18-Y94 HydrophobicContact CG2-CD1 4.3Å; V18-Y94 HydrophobicContact CG2-CE1 3.84Å
19	G	93.9	Very high	80.9	Confident	35 Å²	35	92.9 Å²	92.9	36%	0.361	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	-126	-174.9	0	0	0	0	0	113	R17 Y21	R17-G19 WeakPolarHBondContact CD-O 3.43Å; R17-G19 VanDerWaalsContact CG-O 3.31Å; R17-G19 WeakPolarHBondContact CG-O 3.42Å; G19-Y21 VanDerWaalsContact C-N 3.27Å; G19-Y21 PolarHBondContact O-N 3.48Å
20	F	96	Very high	82.4	Confident	72 Å²	72	86.2 Å²	86.2	32%	0.316	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	15.2	177.3	-64.6	-75.7	0	0	0	114.6	V18 H40 R41 I42 H328	V18-F20 PolarHBondContact O-N 3Å; F20-H40 WeakPolarHBondContact CB-NE2 3.38Å; F20-H40 PolarHBondContact O-CD2 3.31Å; F20-H40 VanDerWaalsContact O-CD2 3.28Å; F20-R41 VanDerWaalsContact O-CB 3.3Å; F20-R41 WeakPolarHBondContact O-CB 3.46Å; F20-R41 VanDerWaalsContact O-CG 3.22Å; F20-R41 WeakPolarHBondContact O-CG 3.38Å; F20-R41 PolarHBondContact O-N 3.29Å; F20-I42 HydrophobicContact CD1-CD1 4.17Å; F20-I42 HydrophobicContact CE1-CD1 4.35Å; F20-H328 HydrophobicContact CD2-CB 3.86Å; F20-H328 HydrophobicContact CE2-CB 3.82Å; F20-H328 AromaticContact CE2-CD2 3.75Å; F20-H328 AromaticContact CE2-CG 3.75Å
21	Y	98.1	Very high	84	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.2	-176.6	-52.5	-86.5	0	0	0	111.6	R17 V18 G19 H40 V47 I49 Q85 M87 V96 L335	R17-Y21 WeakPolarHBondContact CA-O 3.47Å; V18-Y21 PolarHBondContact N-O 3.48Å; V18-Y21 WeakPolarHBondContact O-CB 3.44Å; V18-Y21 WeakPolarHBondContact O-CD2 3.28Å; V18-Y21 PolarHBondContact O-N 3.34Å; G19-Y21 VanDerWaalsContact C-N 3.27Å; G19-Y21 PolarHBondContact O-N 3.48Å; Y21-H40 HydrophobicContact CD1-CB 3.77Å; Y21-H40 AromaticContact CD1-CD2 3.94Å; Y21-H40 HydrophobicContact CE1-CB 3.65Å; Y21-H40 AromaticContact CE1-CD2 3.54Å; Y21-H40 AromaticContact CE1-CG 3.79Å; Y21-H40 AromaticContact CZ-CD2 3.86Å; Y21-V47 HydrophobicContact CD1-CG2 3.63Å; Y21-V47 HydrophobicContact CE1-CG2 3.87Å; Y21-I49 HydrophobicContact CD1-CD1 4.29Å; Y21-I49 HydrophobicContact CD2-CD1 4.23Å; Y21-I49 HydrophobicContact CG-CD1 3.84Å; Y21-Q85 VanDerWaalsContact CE2-OE1 3.23Å; Y21-Q85 PolarHBondContact OH-OE1 3.43Å; Y21-M87 HydrophobicContact CD2-CE 4Å; Y21-M87 HydrophobicContact CD2-SD 4.38Å; Y21-M87 HydrophobicContact CE2-CE 4.06Å; Y21-M87 HydrophobicContact CE2-SD 4.17Å; Y21-V96 HydrophobicContact CD1-CG1 4.41Å; Y21-V96 HydrophobicContact CD2-CG2 4.42Å; Y21-V96 HydrophobicContact CE1-CG1 3.73Å; Y21-V96 HydrophobicContact CE2-CG1 4.44Å; Y21-V96 HydrophobicContact CE2-CG2 3.94Å; Y21-L335 HydrophobicContact CE1-CD1 4.47Å
22	D	97.4	Very high	85.6	Confident	40 Å²	40	80.6 Å²	80.6	21%	0.214	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.3	166.6	-65.8	-37	0	0	0	107.7	R17 A38 R39 R41	R17-D22 IonicContact CZ-OD1 3.25Å; R17-D22 IonicContact NE-OD1 2.99Å; R17-D22 PolarHBondContact NE-OD1 3.29Å; R17-D22 IonicContact NH2-OD1 3.2Å; R17-D22 PolarHBondContact NH2-OD1 3.26Å; R17-D22 IonicContact NH2-OD2 3.78Å; D22-A38 CarbonylContact O-C 3.53Å; D22-A38 WeakPolarHBondContact O-CA 3.37Å; D22-A38 WeakPolarHBondContact O-CB 3.45Å; D22-R39 PolarHBondContact N-O 2.9Å; D22-R39 PolarHBondContact O-N 2.98Å; D22-R41 WeakPolarHBondContact OD1-CD 3.45Å; D22-R41 IonicContact OD1-NE 2.7Å; D22-R41 VanDerWaalsContact OD2-CG 3.27Å; D22-R41 WeakPolarHBondContact OD2-CG 3.43Å; D22-R41 IonicContact OD2-NE 3.79Å
23	I	96.9	Very high	87.4	Confident	20 Å²	20	73.1 Å²	73.1	10%	0.103	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131	-175.3	-54.9	-58.4	0	0	0	110	V16 V18 K36 A38 I49	V16-I23 HydrophobicContact CB-CB 4.25Å; V16-I23 HydrophobicContact CG1-CB 4.47Å; V16-I23 HydrophobicContact CG1-CG1 4.28Å; V16-I23 VanDerWaalsContact O-CB 3.22Å; V16-I23 WeakPolarHBondContact O-CB 3.31Å; V16-I23 VanDerWaalsContact O-CG1 3.3Å; V16-I23 WeakPolarHBondContact O-CG1 3.4Å; V16-I23 PolarHBondContact O-N 3.44Å; V18-I23 HydrophobicContact CB-CD1 4.44Å; V18-I23 HydrophobicContact CG2-CD1 4.11Å; V18-I23 HydrophobicContact CG2-CG1 4.19Å; I23-K36 HydrophobicContact CG2-CB 4.13Å; I23-K36 HydrophobicContact CG2-CD 3.51Å; I23-K36 HydrophobicContact CG2-CG 4.44Å; I23-A38 HydrophobicContact CD1-CB 3.75Å; I23-I49 HydrophobicContact CD1-CD1 3.92Å
24	E	95.6	Very high	89	Confident	85 Å²	85	63.7 Å²	63.7	40%	0.397	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-108.2	178.3	-58.5	-173.9	172.7	0	0	110.5	L37 R39	E24-L37 WeakPolarHBondContact CA-O 3.46Å; E24-L37 HydrophobicContact CB-CB 4.46Å; E24-L37 HydrophobicContact CB-CG 4.33Å; E24-L37 WeakPolarHBondContact CB-O 3.29Å; E24-L37 PolarHBondContact N-O 3.19Å; E24-L37 VanDerWaalsContact OE2-CD2 3.29Å; E24-L37 WeakPolarHBondContact OE2-CD2 3.45Å; E24-R39 IonicContact OE1-CZ 3.22Å; E24-R39 IonicContact OE1-NE 3.17Å; E24-R39 PolarHBondContact OE1-NE 3.02Å; E24-R39 IonicContact OE1-NH2 2.81Å; E24-R39 PolarHBondContact OE1-NH2 3.4Å; E24-R39 IonicContact OE2-NH2 2.76Å
25	R	95.3	Very high	90.4	Very high	133 Å²	133	63.4 Å²	63.4	50%	0.502	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	158.2	-174.3	62.6	-175.6	174.3	92.4	4	112.4	K36 L37 Y99	R25-K36 CarbonylContact O-C 3.6Å; R25-K36 WeakPolarHBondContact O-CA 3.49Å; R25-L37 HydrophobicContact CG-CB 4.06Å; R25-L37 HydrophobicContact CG-CD2 4.11Å; R25-L37 PolarHBondContact O-N 3.25Å; R25-Y99 PolarHBondContact NH2-OH 3.02Å
26	T	95.7	Very high	91.4	Very high	58 Å²	58	61.7 Å²	61.7	36%	0.356	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.5	170.6	-55.4	0	0	0	0	109.5	G28 K29 V34 V35 K36	T26-G28 WeakPolarHBondContact CG2-O 3.36Å; T26-K29 HydrophobicContact CG2-CG 4.01Å; T26-V34 HydrophobicContact CG2-CG1 3.68Å; T26-V35 WeakPolarHBondContact CG2-O 3.31Å; T26-K36 PolarHBondContact OG1-NZ 3.47Å
27	L	92.2	Very high	91.8	Very high	63 Å²	63	57.1 Å²	57.1	33%	0.33	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-41.8	175	-68.2	173.3	0	0	0	111	V35 L37 A48 Y99	L27-V35 HydrophobicContact CB-CG1 4.24Å; L27-V35 HydrophobicContact CD1-CG1 4.31Å; L27-V35 PolarHBondContact N-O 2.76Å; L27-L37 HydrophobicContact CD1-CB 4.01Å; L27-L37 HydrophobicContact CD2-CB 4.1Å; L27-L37 HydrophobicContact CG-CB 3.93Å; L27-A48 HydrophobicContact CD1-CB 4.11Å; L27-Y99 HydrophobicContact CD1-CD2 3.92Å; L27-Y99 HydrophobicContact CD1-CE2 3.87Å; L27-Y99 HydrophobicContact CD2-CE2 3.96Å
28	G	88.2	Confident	92.1	Very high	30 Å²	30	51.8 Å²	51.8	31%	0.309	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	162	180	0	0	0	0	0	112.7	T26 V35	T26-G28 WeakPolarHBondContact CG2-O 3.36Å; G28-V35 PolarHBondContact N-O 2.81Å; G28-V35 VanDerWaalsContact N-O 3.12Å; G28-V35 PolarHBondContact O-N 2.98Å
29	K	86.5	Confident	92.3	Very high	153 Å²	153	54.6 Å²	54.6	67%	0.665	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.3	171.8	-62.7	-175.4	178.5	-175.7	0	108.1	T26 V34	T26-K29 HydrophobicContact CG2-CG 4.01Å; K29-V34 HydrophobicContact CG-CG1 4.28Å; K29-V34 HydrophobicContact CG-CG2 4.3Å
30	G	77.5	Confident	92.4	Very high	44 Å²	44	52.9 Å²	52.9	45%	0.454	27%	0.272	S	S	.	.			trans	-114.6	-170.6	164.1	0	0	0	0	0	110.1	F32 A33	G30-F32 PolarHBondContact O-N 2.95Å; G30-A33 PolarHBondContact N-O 2.99Å
31	N	75.4	Confident	92.4	Very high	86 Å²	86	54.1 Å²	54.1	46%	0.46	27%	0.274	S	S	.	.	S	Bend	trans	-66.2	-41.2	-172.3	-61.7	4.1	0	0	0	112.7	G615	N31-G615 PolarHBondContact ND2-O 3.32Å; N31-G615 WeakPolarHBondContact OD1-CA 3.48Å
32	F	79.9	Confident	92.2	Very high	83 Å²	83	56.8 Å²	56.8	36%	0.364	29%	0.288	S	S	.	.	S	Bend	trans	-119.1	3	-175.1	-45.8	-71.9	0	0	0	113.6	G30 Q56 L57 L617	G30-F32 PolarHBondContact O-N 2.95Å; F32-Q56 WeakPolarHBondContact CD1-O 3.25Å; F32-L57 HydrophobicContact CB-CD2 3.7Å; F32-L57 HydrophobicContact CD1-CD2 3.85Å; F32-L57 HydrophobicContact CD2-CD2 4.02Å; F32-L57 HydrophobicContact CE1-CD2 4.5Å; F32-L57 HydrophobicContact CG-CD2 3.58Å; F32-L617 HydrophobicContact CE2-CD1 4.19Å
33	A	89.2	Confident	92.1	Very high	19 Å²	19	55.1 Å²	55.1	16%	0.157	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.4	-171.5	0	0	0	0	0	112.8	G30 K50 I51 I52	G30-A33 PolarHBondContact N-O 2.99Å; A33-K50 HydrophobicContact CB-CG 4.33Å; A33-I51 CarbonylContact C-O 3.58Å; A33-I51 WeakPolarHBondContact CA-O 3.41Å; A33-I52 HydrophobicContact CB-CG1 4.03Å
34	V	93.9	Very high	92	Very high	42 Å²	42	60 Å²	60	26%	0.255	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120	174.8	178.7	0	0	0	0	109.2	T26 K29 K36 I51	T26-V34 HydrophobicContact CG2-CG1 3.68Å; K29-V34 HydrophobicContact CG-CG1 4.28Å; K29-V34 HydrophobicContact CG-CG2 4.3Å; V34-K36 HydrophobicContact CG1-CG 4.08Å; V34-I51 PolarHBondContact N-O 3.27Å; V34-I51 WeakPolarHBondContact O-CB 3.33Å; V34-I51 PolarHBondContact O-N 3.09Å
35	V	95.4	Very high	92	Very high	45 Å²	45	57.5 Å²	57.5	27%	0.273	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.7	176.9	-173	0	0	0	0	109.2	T26 L27 G28 A48 I49 K50	T26-V35 WeakPolarHBondContact CG2-O 3.31Å; L27-V35 HydrophobicContact CB-CG1 4.24Å; L27-V35 HydrophobicContact CD1-CG1 4.31Å; L27-V35 PolarHBondContact N-O 2.76Å; G28-V35 PolarHBondContact N-O 2.81Å; G28-V35 VanDerWaalsContact N-O 3.12Å; G28-V35 PolarHBondContact O-N 2.98Å; V35-A48 HydrophobicContact CG1-CB 4.18Å; V35-I49 CarbonylContact C-O 3.18Å; V35-I49 WeakPolarHBondContact CA-O 3.32Å; V35-K50 HydrophobicContact CG2-CB 4.26Å; V35-K50 HydrophobicContact CG2-CG 4.29Å
36	K	97	Very high	92.1	Very high	52 Å²	52	53.5 Å²	53.5	23%	0.226	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.1	178.5	-59.1	-172.4	-175.6	-75.5	0	111.5	I23 R25 T26 V34 A48 I49 I51	I23-K36 HydrophobicContact CG2-CB 4.13Å; I23-K36 HydrophobicContact CG2-CD 3.51Å; I23-K36 HydrophobicContact CG2-CG 4.44Å; R25-K36 CarbonylContact O-C 3.6Å; R25-K36 WeakPolarHBondContact O-CA 3.49Å; T26-K36 PolarHBondContact OG1-NZ 3.47Å; V34-K36 HydrophobicContact CG1-CG 4.08Å; K36-A48 CarbonylContact O-C 3.59Å; K36-A48 WeakPolarHBondContact O-CA 3.45Å; K36-I49 PolarHBondContact N-O 3.18Å; K36-I49 PolarHBondContact O-N 2.7Å; K36-I51 HydrophobicContact CD-CD1 3.78Å; K36-I51 HydrophobicContact CG-CD1 4.22Å
37	L	97.6	Very high	92.2	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.8	162.1	-179.2	60.2	0	0	0	107.8	E24 R25 L27 E46 Y99	E24-L37 WeakPolarHBondContact CA-O 3.46Å; E24-L37 HydrophobicContact CB-CB 4.46Å; E24-L37 HydrophobicContact CB-CG 4.33Å; E24-L37 WeakPolarHBondContact CB-O 3.29Å; E24-L37 PolarHBondContact N-O 3.19Å; E24-L37 VanDerWaalsContact OE2-CD2 3.29Å; E24-L37 WeakPolarHBondContact OE2-CD2 3.45Å; R25-L37 HydrophobicContact CG-CB 4.06Å; R25-L37 HydrophobicContact CG-CD2 4.11Å; R25-L37 PolarHBondContact O-N 3.25Å; L27-L37 HydrophobicContact CD1-CB 4.01Å; L27-L37 HydrophobicContact CD2-CB 4.1Å; L27-L37 HydrophobicContact CG-CB 3.93Å; L37-E46 HydrophobicContact CD1-CB 4.25Å; L37-Y99 HydrophobicContact CD1-CD1 3.45Å; L37-Y99 VanDerWaalsContact CD1-CD1 3.45Å; L37-Y99 HydrophobicContact CD1-CD2 4.16Å; L37-Y99 HydrophobicContact CD1-CE1 3.59Å; L37-Y99 HydrophobicContact CD1-CE2 4.32Å; L37-Y99 HydrophobicContact CD1-CG 3.77Å; L37-Y99 HydrophobicContact CD2-CE1 4.28Å
38	A	98.2	Very high	92.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.2	174.4	0	0	0	0	0	110.5	D22 I23 V47 I49	D22-A38 CarbonylContact O-C 3.53Å; D22-A38 WeakPolarHBondContact O-CA 3.37Å; D22-A38 WeakPolarHBondContact O-CB 3.45Å; I23-A38 HydrophobicContact CD1-CB 3.75Å; A38-V47 HydrophobicContact CB-CG2 4.13Å; A38-V47 PolarHBondContact N-O 3.36Å; A38-V47 PolarHBondContact O-N 3.13Å; A38-I49 HydrophobicContact CB-CD1 3.58Å; A38-I49 HydrophobicContact CB-CG1 4.01Å
39	R	97.8	Very high	92.9	Very high	81 Å²	81	46.7 Å²	46.7	31%	0.306	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.8	177.8	-163.1	171.6	-57.5	-86.8	-9.3	110.4	D22 E24 R41 T45 E46	D22-R39 PolarHBondContact N-O 2.9Å; D22-R39 PolarHBondContact O-N 2.98Å; E24-R39 IonicContact OE1-CZ 3.22Å; E24-R39 IonicContact OE1-NE 3.17Å; E24-R39 PolarHBondContact OE1-NE 3.02Å; E24-R39 IonicContact OE1-NH2 2.81Å; E24-R39 PolarHBondContact OE1-NH2 3.4Å; E24-R39 IonicContact OE2-NH2 2.76Å; R39-R41 PolarHBondContact O-N 3.39Å; R39-T45 WeakPolarHBondContact CA-O 3.22Å; R39-E46 IonicContact CZ-OE1 3.43Å; R39-E46 VanDerWaalsContact CZ-OE1 3.22Å; R39-E46 IonicContact NH1-OE1 2.82Å; R39-E46 PolarHBondContact NH1-OE1 3.37Å; R39-E46 IonicContact NH2-OE1 2.67Å; R39-E46 PolarHBondContact NH2-OE1 3.11Å
40	H	97.6	Very high	93.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.6	177.9	-179.5	-121.5	0	0	0	110.6	F20 Y21 I42 T43 K44 T45 L335	F20-H40 WeakPolarHBondContact CB-NE2 3.38Å; F20-H40 PolarHBondContact O-CD2 3.31Å; F20-H40 VanDerWaalsContact O-CD2 3.28Å; Y21-H40 HydrophobicContact CD1-CB 3.77Å; Y21-H40 AromaticContact CD1-CD2 3.94Å; Y21-H40 HydrophobicContact CE1-CB 3.65Å; Y21-H40 AromaticContact CE1-CD2 3.54Å; Y21-H40 AromaticContact CE1-CG 3.79Å; Y21-H40 AromaticContact CZ-CD2 3.86Å; H40-I42 PolarHBondContact O-N 3Å; H40-T43 WeakPolarHBondContact ND1-CG2 3.27Å; H40-T43 PolarHBondContact ND1-N 3.14Å; H40-T43 PolarHBondContact ND1-OG1 3.09Å; H40-K44 WeakPolarHBondContact O-CA 3.43Å; H40-K44 PolarHBondContact O-N 2.67Å; H40-T45 PolarHBondContact N-O 3.35Å; H40-L335 HydrophobicContact CB-CD1 3.99Å
41	R	95.4	Very high	94.3	Very high	97 Å²	97	40.1 Å²	40.1	37%	0.366	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-32.6	-165.5	-73.4	178.1	76.9	-136.3	-3.9	114.1	F20 D22 R39 K44	F20-R41 VanDerWaalsContact O-CB 3.3Å; F20-R41 WeakPolarHBondContact O-CB 3.46Å; F20-R41 VanDerWaalsContact O-CG 3.22Å; F20-R41 WeakPolarHBondContact O-CG 3.38Å; F20-R41 PolarHBondContact O-N 3.29Å; D22-R41 WeakPolarHBondContact OD1-CD 3.45Å; D22-R41 IonicContact OD1-NE 2.7Å; D22-R41 VanDerWaalsContact OD2-CG 3.27Å; D22-R41 WeakPolarHBondContact OD2-CG 3.43Å; D22-R41 IonicContact OD2-NE 3.79Å; R39-R41 PolarHBondContact O-N 3.39Å; R41-K44 WeakPolarHBondContact O-CD 3.33Å; R41-K44 VanDerWaalsContact O-CE 3.29Å; R41-K44 WeakPolarHBondContact O-CE 3.5Å; R41-K44 PolarHBondContact O-NZ 2.74Å
42	I	93.4	Very high	95.2	Very high	57 Å²	57	36.1 Å²	36.1	29%	0.292	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-60.7	-178.9	-54.8	172.2	0	0	0	109.9	F20 H40 K44 L310 I312 I332	F20-I42 HydrophobicContact CD1-CD1 4.17Å; F20-I42 HydrophobicContact CE1-CD1 4.35Å; H40-I42 PolarHBondContact O-N 3Å; I42-K44 VanDerWaalsContact C-N 3.29Å; I42-K44 PolarHBondContact O-N 3.07Å; I42-L310 HydrophobicContact CG2-CD1 3.96Å; I42-L310 HydrophobicContact CG2-CD2 4.38Å; I42-I312 HydrophobicContact CD1-CD1 4.33Å; I42-I332 HydrophobicContact CD1-CD1 3.95Å; I42-I332 HydrophobicContact CD1-CG1 4.38Å
43	T	94.8	Very high	95.9	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.025	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.1	-174	68.1	0	0	0	0	114.4	H40 T45 I332 L335 L336 R339	H40-T43 WeakPolarHBondContact ND1-CG2 3.27Å; H40-T43 PolarHBondContact ND1-N 3.14Å; H40-T43 PolarHBondContact ND1-OG1 3.09Å; T43-T45 WeakPolarHBondContact CB-OG1 3.3Å; T43-T45 PolarHBondContact O-N 2.74Å; T43-T45 VanDerWaalsContact O-N 3.16Å; T43-T45 WeakPolarHBondContact OG1-CB 3.13Å; T43-T45 PolarHBondContact OG1-N 3.04Å; T43-T45 PolarHBondContact OG1-OG1 3.32Å; T43-I332 HydrophobicContact CG2-CG2 4.11Å; T43-L335 HydrophobicContact CG2-CB 4.01Å; T43-L336 HydrophobicContact CG2-CD2 3.58Å; T43-L336 HydrophobicContact CG2-CG 3.61Å; T43-R339 PolarHBondContact O-NH1 2.92Å
44	K	95.1	Very high	96.1	Very high	124 Å²	124	34 Å²	34	54%	0.539	16%	0.16	S	C	.	.			trans	59.9	10.6	-171.8	-47.9	-56.1	-175	-172.5	0	115	H40 R41 I42	H40-K44 WeakPolarHBondContact O-CA 3.43Å; H40-K44 PolarHBondContact O-N 2.67Å; R41-K44 WeakPolarHBondContact O-CD 3.33Å; R41-K44 VanDerWaalsContact O-CE 3.29Å; R41-K44 WeakPolarHBondContact O-CE 3.5Å; R41-K44 PolarHBondContact O-NZ 2.74Å; I42-K44 VanDerWaalsContact C-N 3.29Å; I42-K44 PolarHBondContact O-N 3.07Å
45	T	95.5	Very high	96.1	Very high	32 Å²	32	36.3 Å²	36.3	20%	0.196	18%	0.175	C	C	.	.			trans	-67.4	144.8	178	-42.8	0	0	0	0	110.7	R39 H40 T43 L335	R39-T45 WeakPolarHBondContact CA-O 3.22Å; H40-T45 PolarHBondContact N-O 3.35Å; T43-T45 WeakPolarHBondContact CB-OG1 3.3Å; T43-T45 PolarHBondContact O-N 2.74Å; T43-T45 VanDerWaalsContact O-N 3.16Å; T43-T45 WeakPolarHBondContact OG1-CB 3.13Å; T43-T45 PolarHBondContact OG1-N 3.04Å; T43-T45 PolarHBondContact OG1-OG1 3.32Å; T45-L335 HydrophobicContact CG2-CD2 3.85Å
46	E	97.3	Very high	95.8	Very high	49 Å²	49	39.8 Å²	39.8	23%	0.229	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.4	173.7	-68.5	165.7	169.8	0	0	109.5	L37 R39 Y99 K101	L37-E46 HydrophobicContact CD1-CB 4.25Å; R39-E46 IonicContact CZ-OE1 3.43Å; R39-E46 VanDerWaalsContact CZ-OE1 3.22Å; R39-E46 IonicContact NH1-OE1 2.82Å; R39-E46 PolarHBondContact NH1-OE1 3.37Å; R39-E46 IonicContact NH2-OE1 2.67Å; R39-E46 PolarHBondContact NH2-OE1 3.11Å; E46-Y99 HydrophobicContact CB-CD1 3.93Å; E46-K101 WeakPolarHBondContact OE2-CE 3.45Å; E46-K101 IonicContact OE2-NZ 3.5Å; E46-K101 PolarHBondContact OE2-NZ 3.01Å
47	V	98	Very high	95.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.3	-177.4	-63.8	0	0	0	0	110.3	Y21 A38 I49 Y84 V96 T97 L335	Y21-V47 HydrophobicContact CD1-CG2 3.63Å; Y21-V47 HydrophobicContact CE1-CG2 3.87Å; A38-V47 HydrophobicContact CB-CG2 4.13Å; A38-V47 PolarHBondContact N-O 3.36Å; A38-V47 PolarHBondContact O-N 3.13Å; V47-I49 HydrophobicContact CG2-CD1 4.38Å; V47-I49 HydrophobicContact CG2-CG1 4.15Å; V47-Y84 HydrophobicContact CG1-CD2 4.06Å; V47-Y84 HydrophobicContact CG1-CE2 4.04Å; V47-V96 HydrophobicContact CB-CG1 3.82Å; V47-V96 HydrophobicContact CG1-CG1 4.11Å; V47-V96 HydrophobicContact CG2-CG1 3.76Å; V47-T97 WeakPolarHBondContact CB-O 3.42Å; V47-L335 HydrophobicContact CG1-CD1 4.41Å; V47-L335 HydrophobicContact CG1-CD2 3.78Å
48	A	98	Very high	95.1	Very high	8 Å²	8	42.2 Å²	42.2	7%	0.066	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.5	164.4	0	0	0	0	0	109	L27 V35 K36 V96 T97	L27-A48 HydrophobicContact CD1-CB 4.11Å; V35-A48 HydrophobicContact CG1-CB 4.18Å; K36-A48 CarbonylContact O-C 3.59Å; K36-A48 WeakPolarHBondContact O-CA 3.45Å; A48-V96 WeakPolarHBondContact O-CA 3.45Å; A48-T97 PolarHBondContact N-O 2.7Å; A48-T97 PolarHBondContact O-N 2.76Å
49	I	97.9	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.6	175.1	-52.7	-173	0	0	0	108.4	Y21 I23 V35 K36 A38 V47 I51 Y94 L95 V96	Y21-I49 HydrophobicContact CD1-CD1 4.29Å; Y21-I49 HydrophobicContact CD2-CD1 4.23Å; Y21-I49 HydrophobicContact CG-CD1 3.84Å; I23-I49 HydrophobicContact CD1-CD1 3.92Å; V35-I49 CarbonylContact C-O 3.18Å; V35-I49 WeakPolarHBondContact CA-O 3.32Å; K36-I49 PolarHBondContact N-O 3.18Å; K36-I49 PolarHBondContact O-N 2.7Å; A38-I49 HydrophobicContact CB-CD1 3.58Å; A38-I49 HydrophobicContact CB-CG1 4.01Å; V47-I49 HydrophobicContact CG2-CD1 4.38Å; V47-I49 HydrophobicContact CG2-CG1 4.15Å; I49-I51 HydrophobicContact CG2-CG1 3.95Å; I49-I51 PolarHBondContact O-N 3.11Å; I49-Y94 HydrophobicContact CG2-CD1 4.31Å; I49-L95 CarbonylContact C-O 3.58Å; I49-L95 VanDerWaalsContact CA-O 3.31Å; I49-L95 WeakPolarHBondContact CA-O 3.38Å; I49-V96 HydrophobicContact CD1-CG2 4.15Å; I49-V96 HydrophobicContact CG1-CG1 4.26Å; I49-V96 HydrophobicContact CG1-CG2 4.12Å; I49-V96 HydrophobicContact CG2-CG2 4.39Å
50	K	96.3	Very high	94.3	Very high	29 Å²	29	46.2 Å²	46.2	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	105.7	170.6	-177.8	171.9	171.3	178.4	0	107.2	A33 V35 I52 E68 L95 D161	A33-K50 HydrophobicContact CB-CG 4.33Å; V35-K50 HydrophobicContact CG2-CB 4.26Å; V35-K50 HydrophobicContact CG2-CG 4.29Å; K50-I52 HydrophobicContact CG-CD1 4.24Å; K50-I52 HydrophobicContact CG-CG1 4.12Å; K50-E68 IonicContact NZ-OE1 3.98Å; K50-E68 PolarHBondContact NZ-OE1 3.16Å; K50-E68 IonicContact NZ-OE2 3.21Å; K50-E68 PolarHBondContact NZ-OE2 3.14Å; K50-L95 HydrophobicContact CB-CB 4.32Å; K50-L95 PolarHBondContact N-O 3.34Å; K50-L95 PolarHBondContact O-N 2.92Å; K50-D161 IonicContact NZ-OD1 3.91Å; K50-D161 PolarHBondContact NZ-OD1 3.22Å
51	I	96.2	Very high	93.8	Very high	29 Å²	29	48.5 Å²	48.5	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.2	179.6	-49.7	-176.5	0	0	0	108.1	A33 V34 K36 I49 M92 Y94	A33-I51 CarbonylContact C-O 3.58Å; A33-I51 WeakPolarHBondContact CA-O 3.41Å; V34-I51 PolarHBondContact N-O 3.27Å; V34-I51 WeakPolarHBondContact O-CB 3.33Å; V34-I51 PolarHBondContact O-N 3.09Å; K36-I51 HydrophobicContact CD-CD1 3.78Å; K36-I51 HydrophobicContact CG-CD1 4.22Å; I49-I51 HydrophobicContact CG2-CG1 3.95Å; I49-I51 PolarHBondContact O-N 3.11Å; I51-M92 HydrophobicContact CG2-SD 4.42Å; I51-Y94 HydrophobicContact CB-CD1 4.29Å; I51-Y94 HydrophobicContact CB-CE1 4.46Å; I51-Y94 HydrophobicContact CD1-CD1 4.27Å; I51-Y94 HydrophobicContact CD1-CE1 4.21Å; I51-Y94 HydrophobicContact CG1-CD1 3.87Å; I51-Y94 HydrophobicContact CG1-CE1 4.21Å; I51-Y94 HydrophobicContact CG2-CD1 3.86Å; I51-Y94 HydrophobicContact CG2-CE1 3.62Å
52	I	95	Very high	93.6	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.1	-173.8	-53.2	173.4	0	0	0	108.6	A33 K50 L57 I65 M92 L93 L95	A33-I52 HydrophobicContact CB-CG1 4.03Å; K50-I52 HydrophobicContact CG-CD1 4.24Å; K50-I52 HydrophobicContact CG-CG1 4.12Å; I52-L57 HydrophobicContact CG2-CD1 3.85Å; I52-I65 HydrophobicContact CD1-CD1 4.12Å; I52-I65 HydrophobicContact CD1-CG1 4.46Å; I52-I65 HydrophobicContact CD1-CG2 3.65Å; I52-M92 WeakPolarHBondContact O-CA 3.48Å; I52-L93 HydrophobicContact CB-CB 4.36Å; I52-L93 HydrophobicContact CD1-CD2 4.43Å; I52-L93 PolarHBondContact N-O 2.77Å; I52-L93 PolarHBondContact O-N 3.43Å; I52-L95 HydrophobicContact CD1-CD1 4.35Å
53	D	94	Very high	93.5	Very high	28 Å²	28	48.3 Å²	48.3	15%	0.15	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.5	176.1	-172.7	-17.4	0	0	0	110	T55 Q56 M92	D53-T55 PolarHBondContact O-N 3.04Å; D53-T55 WeakPolarHBondContact OD1-CB 3.4Å; D53-T55 PolarHBondContact OD1-N 3.36Å; D53-T55 PolarHBondContact OD1-OG1 3.35Å; D53-T55 PolarHBondContact OD2-OG1 3.46Å; D53-Q56 HydrophobicContact CB-CG 4.37Å; D53-Q56 PolarHBondContact O-N 3.47Å; D53-Q56 PolarHBondContact OD2-NE2 2.97Å; D53-M92 HydrophobicContact CB-CE 3.83Å; D53-M92 HydrophobicContact CB-SD 4.03Å; D53-M92 VanDerWaalsContact CG-CE 3.45Å; D53-M92 WeakPolarHBondContact OD2-CE 3.47Å
54	K	94.6	Very high	93.3	Very high	30 Å²	30	51.3 Å²	51.3	13%	0.13	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-70.9	-17.8	-179.1	-62.2	-168.7	-70.8	171	0	112.5	Q56 L57 L62 E88 T89 K90 N91 L93	K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 2.86Å; K54-L57 PolarHBondContact O-N 3.19Å; K54-L62 HydrophobicContact CB-CD1 4.42Å; K54-L62 HydrophobicContact CD-CD1 3.78Å; K54-L62 HydrophobicContact CG-CD1 3.88Å; K54-E88 IonicContact NZ-OE1 2.75Å; K54-E88 PolarHBondContact NZ-OE1 2.95Å; K54-T89 WeakPolarHBondContact CE-O 3.49Å; K54-T89 PolarHBondContact NZ-O 2.87Å; K54-K90 VanDerWaalsContact CE-O 3.3Å; K54-K90 WeakPolarHBondContact CE-O 3.35Å; K54-K90 PolarHBondContact NZ-O 3.39Å; K54-N91 WeakPolarHBondContact CB-O 3.01Å; K54-N91 PolarHBondContact N-O 2.79Å; K54-L93 HydrophobicContact CD-CB 4.48Å; K54-L93 HydrophobicContact CG-CB 4.44Å
55	T	92.7	Very high	93.2	Very high	91 Å²	91	46.6 Å²	46.6	56%	0.558	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-77.3	-13.9	177.8	71.8	0	0	0	0	113.1	D53 N91	D53-T55 PolarHBondContact O-N 3.04Å; D53-T55 WeakPolarHBondContact OD1-CB 3.4Å; D53-T55 PolarHBondContact OD1-N 3.36Å; D53-T55 PolarHBondContact OD1-OG1 3.35Å; D53-T55 PolarHBondContact OD2-OG1 3.46Å; T55-N91 HydrophobicContact CG2-CB 3.84Å
56	Q	90.1	Very high	93.2	Very high	117 Å²	117	49.4 Å²	49.4	55%	0.547	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-101.6	11.8	176.9	-62	-178	59.8	0	0	112.8	F32 D53 K54	F32-Q56 WeakPolarHBondContact CD1-O 3.25Å; D53-Q56 HydrophobicContact CB-CG 4.37Å; D53-Q56 PolarHBondContact O-N 3.47Å; D53-Q56 PolarHBondContact OD2-NE2 2.97Å; K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 2.86Å
57	L	88.9	Confident	93.1	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.147	26%	0.256	C	S	.	.			trans	-119.3	142.6	-179.5	-65	178.2	0	0	0	111	F32 I52 K54 N61 L62 I65	F32-L57 HydrophobicContact CB-CD2 3.7Å; F32-L57 HydrophobicContact CD1-CD2 3.85Å; F32-L57 HydrophobicContact CD2-CD2 4.02Å; F32-L57 HydrophobicContact CE1-CD2 4.5Å; F32-L57 HydrophobicContact CG-CD2 3.58Å; I52-L57 HydrophobicContact CG2-CD1 3.85Å; K54-L57 PolarHBondContact O-N 3.19Å; L57-N61 HydrophobicContact CD2-CB 3.95Å; L57-L62 HydrophobicContact CB-CB 4.44Å; L57-L62 HydrophobicContact CD1-CD1 4.42Å; L57-I65 HydrophobicContact CD1-CG1 4.2Å
58	D	90.6	Very high	93	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	26%	0.257	S	S	.	.			trans	-78.9	167.5	162.7	66	-26	0	0	0	110.7	V60 N61 L62	D58-V60 PolarHBondContact O-N 2.92Å; D58-N61 PolarHBondContact O-N 2.84Å; D58-N61 WeakPolarHBondContact OD1-CB 3.12Å; D58-N61 VanDerWaalsContact OD1-CG 3.25Å; D58-N61 PolarHBondContact OD1-N 2.78Å; D58-N61 PolarHBondContact OD1-ND2 3.18Å; D58-L62 WeakPolarHBondContact O-CB 3.48Å; D58-L62 PolarHBondContact O-N 2.91Å
59	A	90.4	Very high	92.9	Very high	83 Å²	83	49.2 Å²	49.2	69%	0.686	26%	0.258	S	S	*	.	H	α-helix	trans	-55.5	-38.5	179	0	0	0	0	0	112.5	L62 E63	A59-L62 PolarHBondContact O-N 2.9Å; A59-E63 WeakPolarHBondContact O-CB 3.25Å; A59-E63 PolarHBondContact O-N 2.87Å
60	V	88.3	Confident	92.9	Very high	81 Å²	81	54.3 Å²	54.3	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-71.2	-36.5	-176.3	-178.8	0	0	0	0	112.4	D58 K64	D58-V60 PolarHBondContact O-N 2.92Å; V60-K64 VanDerWaalsContact O-CE 3.28Å; V60-K64 WeakPolarHBondContact O-CE 3.33Å; V60-K64 WeakPolarHBondContact O-CG 3.47Å; V60-K64 PolarHBondContact O-N 2.97Å
61	N	87.7	Confident	92.9	Very high	48 Å²	48	53 Å²	53	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-79.5	-31.1	172	-66.8	-58.3	0	0	0	112.3	L57 D58 K64 I65	L57-N61 HydrophobicContact CD2-CB 3.95Å; D58-N61 PolarHBondContact O-N 2.84Å; D58-N61 WeakPolarHBondContact OD1-CB 3.12Å; D58-N61 VanDerWaalsContact OD1-CG 3.25Å; D58-N61 PolarHBondContact OD1-N 2.78Å; D58-N61 PolarHBondContact OD1-ND2 3.18Å; N61-K64 WeakPolarHBondContact O-CB 3.49Å; N61-K64 PolarHBondContact O-N 2.94Å; N61-K64 PolarHBondContact OD1-NZ 3.35Å; N61-I65 WeakPolarHBondContact O-CG1 3.31Å; N61-I65 PolarHBondContact O-N 3.46Å; N61-I65 VanDerWaalsContact O-N 3.14Å
62	L	91.4	Very high	92.9	Very high	37 Å²	37	52.2 Å²	52.2	19%	0.194	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-40.2	173.5	-177.6	60.1	0	0	0	112.1	K54 L57 D58 A59 K64 I65 Y66	K54-L62 HydrophobicContact CB-CD1 4.42Å; K54-L62 HydrophobicContact CD-CD1 3.78Å; K54-L62 HydrophobicContact CG-CD1 3.88Å; L57-L62 HydrophobicContact CB-CB 4.44Å; L57-L62 HydrophobicContact CD1-CD1 4.42Å; D58-L62 WeakPolarHBondContact O-CB 3.48Å; D58-L62 PolarHBondContact O-N 2.91Å; A59-L62 PolarHBondContact O-N 2.9Å; L62-K64 PolarHBondContact O-N 2.8Å; L62-I65 PolarHBondContact O-N 3Å; L62-I65 VanDerWaalsContact O-N 3.15Å; L62-Y66 HydrophobicContact CD1-CD2 4.4Å; L62-Y66 HydrophobicContact CD1-CE2 3.81Å; L62-Y66 HydrophobicContact CD2-CE2 4.01Å; L62-Y66 HydrophobicContact CG-CD2 4.11Å; L62-Y66 HydrophobicContact CG-CE2 3.56Å; L62-Y66 WeakPolarHBondContact O-CD2 3.26Å; L62-Y66 PolarHBondContact O-N 2.76Å
63	E	91.8	Very high	93	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.533	29%	0.286	S	S	.	.	H	α-helix	trans	-58.7	-44.1	172.7	-168.6	-150	129.7	0	0	112	A59 I65 Y66 R67	A59-E63 WeakPolarHBondContact O-CB 3.25Å; A59-E63 PolarHBondContact O-N 2.87Å; E63-I65 VanDerWaalsContact C-N 3.26Å; E63-I65 PolarHBondContact O-N 3.08Å; E63-Y66 PolarHBondContact O-N 2.81Å; E63-R67 PolarHBondContact O-N 2.75Å; E63-R67 IonicContact OE1-NH1 2.65Å
64	K	89.9	Confident	93	Very high	67 Å²	67	58.1 Å²	58.1	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-59.6	-37.4	175.3	-64.2	165.8	-157.5	164.1	0	111.8	V60 N61 L62 R67 E68	V60-K64 VanDerWaalsContact O-CE 3.28Å; V60-K64 WeakPolarHBondContact O-CE 3.33Å; V60-K64 WeakPolarHBondContact O-CG 3.47Å; V60-K64 PolarHBondContact O-N 2.97Å; N61-K64 WeakPolarHBondContact O-CB 3.49Å; N61-K64 PolarHBondContact O-N 2.94Å; N61-K64 PolarHBondContact OD1-NZ 3.35Å; L62-K64 PolarHBondContact O-N 2.8Å; K64-R67 PolarHBondContact O-N 2.78Å; K64-E68 PolarHBondContact O-N 2.75Å
65	I	92.5	Very high	93.1	Very high	24 Å²	24	57.1 Å²	57.1	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-40.9	176.3	-64.9	-55.8	0	0	0	111.5	I52 L57 N61 L62 E63 R67 E68 V69 L93	I52-I65 HydrophobicContact CD1-CD1 4.12Å; I52-I65 HydrophobicContact CD1-CG1 4.46Å; I52-I65 HydrophobicContact CD1-CG2 3.65Å; L57-I65 HydrophobicContact CD1-CG1 4.2Å; N61-I65 WeakPolarHBondContact O-CG1 3.31Å; N61-I65 PolarHBondContact O-N 3.46Å; N61-I65 VanDerWaalsContact O-N 3.14Å; L62-I65 PolarHBondContact O-N 3Å; L62-I65 VanDerWaalsContact O-N 3.15Å; E63-I65 VanDerWaalsContact C-N 3.26Å; E63-I65 PolarHBondContact O-N 3.08Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.79Å; I65-E68 WeakPolarHBondContact O-CB 3.39Å; I65-E68 PolarHBondContact O-N 2.64Å; I65-V69 WeakPolarHBondContact O-CG2 3.47Å; I65-V69 PolarHBondContact O-N 2.9Å; I65-L93 HydrophobicContact CG2-CD2 3.47Å; I65-L93 VanDerWaalsContact CG2-CD2 3.47Å
66	Y	95.4	Very high	93.1	Very high	92 Å²	92	56.5 Å²	56.5	36%	0.361	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-35.7	172.8	-68	-54.8	0	0	0	112.3	L62 E63 V69 Q70 E88	L62-Y66 HydrophobicContact CD1-CD2 4.4Å; L62-Y66 HydrophobicContact CD1-CE2 3.81Å; L62-Y66 HydrophobicContact CD2-CE2 4.01Å; L62-Y66 HydrophobicContact CG-CD2 4.11Å; L62-Y66 HydrophobicContact CG-CE2 3.56Å; L62-Y66 WeakPolarHBondContact O-CD2 3.26Å; L62-Y66 PolarHBondContact O-N 2.76Å; E63-Y66 PolarHBondContact O-N 2.81Å; Y66-V69 WeakPolarHBondContact O-CB 3.5Å; Y66-V69 PolarHBondContact O-N 3.33Å; Y66-Q70 PolarHBondContact O-N 3.43Å; Y66-E88 PolarHBondContact OH-OE1 3.17Å; Y66-E88 VanDerWaalsContact OH-OE1 3.06Å
67	R	95.7	Very high	93.4	Very high	35 Å²	35	51.4 Å²	51.4	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-38.5	171.9	-170.9	176.9	62.6	-113.1	-2.5	112.5	E63 K64 I65 V69 Q70 I71 A165 N166 F167	E63-R67 PolarHBondContact O-N 2.75Å; E63-R67 IonicContact OE1-NH1 2.65Å; K64-R67 PolarHBondContact O-N 2.78Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 2.79Å; R67-V69 VanDerWaalsContact C-N 3.3Å; R67-V69 PolarHBondContact O-N 3.34Å; R67-Q70 PolarHBondContact O-N 2.78Å; R67-I71 HydrophobicContact CG-CD1 3.93Å; R67-I71 HydrophobicContact CG-CG1 4.36Å; R67-I71 WeakPolarHBondContact O-CB 3.37Å; R67-I71 WeakPolarHBondContact O-CG1 3.4Å; R67-I71 PolarHBondContact O-N 2.77Å; R67-A165 PolarHBondContact NE-O 3.44Å; R67-A165 PolarHBondContact NH2-O 2.97Å; R67-N166 WeakPolarHBondContact CD-OD1 3.37Å; R67-N166 PolarHBondContact NE-OD1 2.92Å; R67-F167 HydrophobicContact CG-CD2 4.45Å; R67-F167 HydrophobicContact CG-CE2 4.09Å
68	E	95.2	Very high	93.7	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-47.6	170.5	-178.7	-178.9	177.8	0	0	110.1	K50 K64 I65 I71 M72 F162 G163	K50-E68 IonicContact NZ-OE1 3.98Å; K50-E68 PolarHBondContact NZ-OE1 3.16Å; K50-E68 IonicContact NZ-OE2 3.21Å; K50-E68 PolarHBondContact NZ-OE2 3.14Å; K64-E68 PolarHBondContact O-N 2.75Å; I65-E68 WeakPolarHBondContact O-CB 3.39Å; I65-E68 PolarHBondContact O-N 2.64Å; E68-I71 PolarHBondContact O-N 2.91Å; E68-M72 HydrophobicContact CG-CG 4.4Å; E68-M72 HydrophobicContact CG-SD 4.01Å; E68-M72 WeakPolarHBondContact O-CB 3.3Å; E68-M72 VanDerWaalsContact O-CG 3.27Å; E68-M72 WeakPolarHBondContact O-CG 3.22Å; E68-M72 PolarHBondContact O-N 3.35Å; E68-F162 HydrophobicContact CG-CB 4.05Å; E68-G163 WeakPolarHBondContact OE2-CA 3.36Å
69	V	96.4	Very high	94	Very high	15 Å²	15	50 Å²	50	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-47.2	176	174.6	0	0	0	0	111.8	I65 Y66 R67 I71 M72 K73 V86 L93 L95	I65-V69 WeakPolarHBondContact O-CG2 3.47Å; I65-V69 PolarHBondContact O-N 2.9Å; Y66-V69 WeakPolarHBondContact O-CB 3.5Å; Y66-V69 PolarHBondContact O-N 3.33Å; R67-V69 VanDerWaalsContact C-N 3.3Å; R67-V69 PolarHBondContact O-N 3.34Å; V69-I71 PolarHBondContact O-N 2.84Å; V69-M72 PolarHBondContact O-N 3.36Å; V69-K73 HydrophobicContact CG1-CD 4.49Å; V69-K73 HydrophobicContact CG1-CG 4.4Å; V69-K73 WeakPolarHBondContact O-CG 3.45Å; V69-K73 PolarHBondContact O-N 3.17Å; V69-V86 HydrophobicContact CG1-CG2 3.82Å; V69-L93 HydrophobicContact CG2-CD2 4.31Å; V69-L95 HydrophobicContact CG2-CD1 3.82Å; V69-L95 HydrophobicContact CG2-CD2 3.48Å; V69-L95 VanDerWaalsContact CG2-CD2 3.48Å; V69-L95 HydrophobicContact CG2-CG 4.31Å
70	Q	97.1	Very high	94.4	Very high	107 Å²	107	46.3 Å²	46.3	50%	0.5	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-47	178.3	-175.5	-175.9	-3.3	0	0	111.6	Y66 R67 K73 M74 F167	Y66-Q70 PolarHBondContact O-N 3.43Å; R67-Q70 PolarHBondContact O-N 2.78Å; Q70-K73 PolarHBondContact O-N 2.98Å; Q70-M74 HydrophobicContact CG-SD 4.42Å; Q70-M74 WeakPolarHBondContact O-CG 3.29Å; Q70-M74 PolarHBondContact O-N 2.89Å; Q70-F167 HydrophobicContact CG-CE2 4.49Å; Q70-F167 HydrophobicContact CG-CZ 4.22Å
71	I	97.3	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-48.7	176.3	-73.8	172.8	0	0	0	110.2	R67 E68 V69 K73 M74 L75 I139 F162 A165 F167	R67-I71 HydrophobicContact CG-CD1 3.93Å; R67-I71 HydrophobicContact CG-CG1 4.36Å; R67-I71 WeakPolarHBondContact O-CB 3.37Å; R67-I71 WeakPolarHBondContact O-CG1 3.4Å; R67-I71 PolarHBondContact O-N 2.77Å; E68-I71 PolarHBondContact O-N 2.91Å; V69-I71 PolarHBondContact O-N 2.84Å; I71-K73 VanDerWaalsContact C-N 3.26Å; I71-K73 PolarHBondContact O-N 3.25Å; I71-M74 WeakPolarHBondContact O-CB 3.5Å; I71-M74 PolarHBondContact O-N 3.36Å; I71-L75 HydrophobicContact CG2-CD1 3.73Å; I71-L75 HydrophobicContact CG2-CG 4.43Å; I71-L75 WeakPolarHBondContact O-CG 3.31Å; I71-L75 PolarHBondContact O-N 3.01Å; I71-I139 HydrophobicContact CD1-CG2 4.36Å; I71-I139 HydrophobicContact CG1-CG1 4.39Å; I71-I139 HydrophobicContact CG2-CD1 4.26Å; I71-I139 HydrophobicContact CG2-CG2 3.89Å; I71-F162 HydrophobicContact CG2-CB 4.28Å; I71-F162 HydrophobicContact CG2-CD1 3.75Å; I71-F162 HydrophobicContact CG2-CE1 4.48Å; I71-F162 HydrophobicContact CG2-CG 4.23Å; I71-A165 HydrophobicContact CD1-CB 3.73Å; I71-A165 HydrophobicContact CG2-CB 4.46Å; I71-F167 HydrophobicContact CD1-CE2 4.46Å; I71-F167 HydrophobicContact CD1-CZ 4.41Å; I71-F167 HydrophobicContact CG1-CE1 4.02Å; I71-F167 HydrophobicContact CG1-CE2 4.05Å; I71-F167 HydrophobicContact CG1-CZ 3.61Å
72	M	97	Very high	95.2	Very high	14 Å²	14	42 Å²	42	7%	0.069	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-27.6	178.3	-70	-175.2	77.3	0	0	113.5	E68 V69 M74 L83 T97 F162	E68-M72 HydrophobicContact CG-CG 4.4Å; E68-M72 HydrophobicContact CG-SD 4.01Å; E68-M72 WeakPolarHBondContact O-CB 3.3Å; E68-M72 VanDerWaalsContact O-CG 3.27Å; E68-M72 WeakPolarHBondContact O-CG 3.22Å; E68-M72 PolarHBondContact O-N 3.35Å; V69-M72 PolarHBondContact O-N 3.36Å; M72-M74 VanDerWaalsContact C-N 3.26Å; M72-M74 PolarHBondContact O-N 3.17Å; M72-L83 HydrophobicContact CB-CB 4.27Å; M72-L83 HydrophobicContact CB-CD2 4.05Å; M72-L83 HydrophobicContact CE-CB 4.36Å; M72-L83 HydrophobicContact CE-CD1 4.46Å; M72-T97 HydrophobicContact CE-CG2 3.77Å; M72-F162 HydrophobicContact CG-CB 4.4Å; M72-F162 HydrophobicContact CG-CD2 4.4Å
73	K	95.8	Very high	95.5	Very high	69 Å²	69	40.4 Å²	40.4	30%	0.3	19%	0.193	S	C	.	.	H	α-helix	trans	-71.7	-15.3	171	-73.6	-165.9	170.7	-158.6	0	113.8	V69 Q70 I71 L83 K324 S325 Y326	V69-K73 HydrophobicContact CG1-CD 4.49Å; V69-K73 HydrophobicContact CG1-CG 4.4Å; V69-K73 WeakPolarHBondContact O-CG 3.45Å; V69-K73 PolarHBondContact O-N 3.17Å; Q70-K73 PolarHBondContact O-N 2.98Å; I71-K73 VanDerWaalsContact C-N 3.26Å; I71-K73 PolarHBondContact O-N 3.25Å; K73-L83 HydrophobicContact CG-CD2 3.83Å; K73-K324 PolarHBondContact NZ-O 3.47Å; K73-S325 PolarHBondContact NZ-O 2.87Å; K73-Y326 HydrophobicContact CB-CD2 4.36Å; K73-Y326 HydrophobicContact CB-CE2 3.77Å; K73-Y326 HydrophobicContact CD-CD2 3.6Å; K73-Y326 HydrophobicContact CD-CE2 3.84Å; K73-Y326 HydrophobicContact CD-CG 4.45Å; K73-Y326 VanDerWaalsContact CE-CD2 3.42Å; K73-Y326 HydrophobicContact CG-CD2 3.58Å; K73-Y326 HydrophobicContact CG-CE2 3.49Å; K73-Y326 VanDerWaalsContact CG-CE2 3.49Å; K73-Y326 HydrophobicContact CG-CG 4.24Å; K73-Y326 PolarHBondContact O-OH 3.42Å; K73-Y326 VanDerWaalsContact O-OH 3.09Å
74	M	94.9	Very high	95.8	Very high	85 Å²	85	35.1 Å²	35.1	42%	0.419	17%	0.168	S	C	.	.	H	α-helix	trans	-99.6	-10	180	-67	170.7	64.3	0	0	113.7	Q70 I71 M72 I139 F167	Q70-M74 HydrophobicContact CG-SD 4.42Å; Q70-M74 WeakPolarHBondContact O-CG 3.29Å; Q70-M74 PolarHBondContact O-N 2.89Å; I71-M74 WeakPolarHBondContact O-CB 3.5Å; I71-M74 PolarHBondContact O-N 3.36Å; M72-M74 VanDerWaalsContact C-N 3.26Å; M72-M74 PolarHBondContact O-N 3.17Å; M74-I139 HydrophobicContact CE-CD1 4.39Å; M74-F167 HydrophobicContact CE-CE1 3.95Å; M74-F167 HydrophobicContact SD-CE1 3.82Å; M74-F167 HydrophobicContact SD-CZ 3.81Å
75	L	95.4	Very high	96.2	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.042	16%	0.157	C	C	.	.			trans	-106.6	116.4	-172.6	-61.9	173.2	0	0	0	112.3	I71 I80 Y133 I139 F162	I71-L75 HydrophobicContact CG2-CD1 3.73Å; I71-L75 HydrophobicContact CG2-CG 4.43Å; I71-L75 WeakPolarHBondContact O-CG 3.31Å; I71-L75 PolarHBondContact O-N 3.01Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG2 4.39Å; L75-I80 HydrophobicContact CD1-CD1 4.36Å; L75-I80 HydrophobicContact CD1-CG2 4.41Å; L75-I80 HydrophobicContact CD2-CD1 4.33Å; L75-Y133 HydrophobicContact CB-CE1 4.36Å; L75-Y133 HydrophobicContact CD2-CD1 3.93Å; L75-Y133 HydrophobicContact CD2-CE1 3.62Å; L75-I139 HydrophobicContact CD2-CD1 4.02Å; L75-I139 HydrophobicContact CG-CD1 4.47Å; L75-F162 HydrophobicContact CD1-CD1 3.9Å; L75-F162 HydrophobicContact CD1-CE1 3.38Å; L75-F162 HydrophobicContact CD1-CE2 4.29Å; L75-F162 HydrophobicContact CD1-CZ 3.63Å
76	D	93.3	Very high	96.5	Very high	79 Å²	79	32.8 Å²	32.8	42%	0.422	16%	0.16	S	C	.	.			trans	-133.1	94	170.1	-164.2	2.6	0	0	0	109.8	K82 Y133	D76-K82 WeakPolarHBondContact OD1-CE 3.47Å; D76-K82 IonicContact OD1-NZ 2.78Å; D76-K82 PolarHBondContact OD1-NZ 2.67Å; D76-K82 IonicContact OD2-NZ 2.75Å; D76-K82 PolarHBondContact OD2-NZ 3.13Å; D76-Y133 PolarHBondContact N-OH 3.41Å; D76-Y133 VanDerWaalsContact O-CZ 3.29Å; D76-Y133 PolarHBondContact O-OH 3.5Å
77	H	95.5	Very high	96.6	Very high	9 Å²	9	29.9 Å²	29.9	4%	0.042	15%	0.15	C	C	.	.			trans	-143.3	140.2	-176	-178.5	-84.7	0	0	0	110.1	H79 I80 Q126 S129 A130 Y133	H77-H79 WeakPolarHBondContact CE1-CB 3.39Å; H77-H79 AromaticContact CE1-CD2 3.17Å; H77-H79 PolarHBondContact CE1-CD2 3.45Å; H77-H79 AromaticContact CE1-CG 3.52Å; H77-H79 PolarHBondContact ND1-N 2.97Å; H77-H79 PolarHBondContact O-N 3.4Å; H77-I80 HydrophobicContact CB-CB 4.28Å; H77-I80 HydrophobicContact CB-CD1 3.87Å; H77-I80 HydrophobicContact CB-CG1 3.98Å; H77-I80 PolarHBondContact O-N 3.3Å; H77-I80 VanDerWaalsContact O-N 3.1Å; H77-Q126 PolarHBondContact CE1-O 2.91Å; H77-S129 WeakPolarHBondContact CE1-CB 3.34Å; H77-S129 PolarHBondContact CE1-OG 2.99Å; H77-S129 WeakPolarHBondContact NE2-CB 3.32Å; H77-S129 PolarHBondContact NE2-O 3.3Å; H77-S129 PolarHBondContact NE2-OG 3.36Å; H77-A130 VanDerWaalsContact CE1-CA 3.46Å; H77-A130 WeakPolarHBondContact CE1-CA 3.16Å; H77-A130 PolarHBondContact CE1-N 2.78Å; H77-Y133 HydrophobicContact CB-CD1 3.86Å; H77-Y133 HydrophobicContact CB-CD2 4.15Å; H77-Y133 HydrophobicContact CB-CE1 3.97Å; H77-Y133 HydrophobicContact CB-CE2 4.2Å; H77-Y133 HydrophobicContact CB-CG 3.96Å; H77-Y133 AromaticContact CD2-CD2 3.55Å; H77-Y133 AromaticContact CD2-CG 3.55Å
78	P	95.2	Very high	96.6	Very high	65 Å²	65	32.8 Å²	32.8	42%	0.422	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.9	-174.8	23.1	-35.3	0	0	0	115	K158	P78-K158 WeakPolarHBondContact O-CD 3.45Å; P78-K158 WeakPolarHBondContact O-CE 3.17Å; P78-K158 PolarHBondContact O-NZ 3.02Å
79	H	97.6	Very high	96.6	Very high	16 Å²	16	36.1 Å²	36.1	7%	0.074	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	19.1	179.9	-58.5	-54.3	0	0	0	113.9	H77 Q126 A130 I157 K158 I159	H77-H79 WeakPolarHBondContact CE1-CB 3.39Å; H77-H79 AromaticContact CE1-CD2 3.17Å; H77-H79 PolarHBondContact CE1-CD2 3.45Å; H77-H79 AromaticContact CE1-CG 3.52Å; H77-H79 PolarHBondContact ND1-N 2.97Å; H77-H79 PolarHBondContact O-N 3.4Å; H79-Q126 HydrophobicContact CB-CB 4.34Å; H79-Q126 VanDerWaalsContact CE1-CD 3.48Å; H79-Q126 PolarHBondContact CE1-NE2 3.39Å; H79-Q126 VanDerWaalsContact CE1-NE2 3.29Å; H79-A130 HydrophobicContact CB-CB 4.13Å; H79-I157 WeakPolarHBondContact CA-O 3.26Å; H79-I157 WeakPolarHBondContact CB-O 3.4Å; H79-I157 PolarHBondContact ND1-O 2.8Å; H79-K158 CarbonylContact O-C 3.57Å; H79-K158 WeakPolarHBondContact O-CA 3.31Å; H79-I159 PolarHBondContact O-N 2.92Å
80	I	98.3	Very high	96.5	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-115.7	146.3	168.4	-60.5	179.7	0	0	0	108.3	L75 H77 K82 A130 Y133 F162	L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG2 4.39Å; L75-I80 HydrophobicContact CD1-CD1 4.36Å; L75-I80 HydrophobicContact CD1-CG2 4.41Å; L75-I80 HydrophobicContact CD2-CD1 4.33Å; H77-I80 HydrophobicContact CB-CB 4.28Å; H77-I80 HydrophobicContact CB-CD1 3.87Å; H77-I80 HydrophobicContact CB-CG1 3.98Å; H77-I80 PolarHBondContact O-N 3.3Å; H77-I80 VanDerWaalsContact O-N 3.1Å; I80-K82 PolarHBondContact O-N 3.08Å; I80-A130 HydrophobicContact CD1-CB 4.28Å; I80-A130 HydrophobicContact CG1-CB 3.79Å; I80-Y133 HydrophobicContact CD1-CD1 3.97Å; I80-Y133 HydrophobicContact CD1-CE1 4.47Å; I80-F162 HydrophobicContact CD1-CZ 4.44Å; I80-F162 HydrophobicContact CG2-CE2 3.72Å; I80-F162 HydrophobicContact CG2-CZ 3.72Å
81	I	97.1	Very high	96.4	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.067	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-65.9	118.5	171.8	-73.6	-65.5	0	0	0	109.8	T97 E98 A100 L150 K158 I159 A160	I81-T97 HydrophobicContact CG2-CG2 4.26Å; I81-E98 HydrophobicContact CD1-CB 4.18Å; I81-E98 HydrophobicContact CD1-CG 4.45Å; I81-E98 HydrophobicContact CG2-CB 4.3Å; I81-A100 HydrophobicContact CD1-CB 4.06Å; I81-L150 HydrophobicContact CD1-CD1 4.16Å; I81-L150 HydrophobicContact CG1-CD1 4.22Å; I81-K158 HydrophobicContact CD1-CB 3.65Å; I81-K158 HydrophobicContact CD1-CD 4.47Å; I81-K158 HydrophobicContact CD1-CG 4.15Å; I81-K158 HydrophobicContact CG1-CB 3.99Å; I81-I159 PolarHBondContact N-O 2.93Å; I81-A160 HydrophobicContact CB-CB 4.5Å; I81-A160 HydrophobicContact CG1-CB 3.8Å
82	K	96.4	Very high	96.3	Very high	27 Å²	27	45.7 Å²	45.7	12%	0.117	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-74.9	140.1	180	-169.5	158.2	-165.8	156.1	0	112.7	D76 I80 Y84 T97 E98 E338	D76-K82 WeakPolarHBondContact OD1-CE 3.47Å; D76-K82 IonicContact OD1-NZ 2.78Å; D76-K82 PolarHBondContact OD1-NZ 2.67Å; D76-K82 IonicContact OD2-NZ 2.75Å; D76-K82 PolarHBondContact OD2-NZ 3.13Å; I80-K82 PolarHBondContact O-N 3.08Å; K82-Y84 HydrophobicContact CB-CE1 4.23Å; K82-Y84 HydrophobicContact CD-CE1 4.2Å; K82-Y84 HydrophobicContact CG-CD1 4.33Å; K82-Y84 HydrophobicContact CG-CE1 4.06Å; K82-T97 CarbonylContact O-C 3.32Å; K82-T97 WeakPolarHBondContact O-CA 3.46Å; K82-T97 VanDerWaalsContact O-CB 3.32Å; K82-T97 WeakPolarHBondContact O-CB 3.49Å; K82-E98 HydrophobicContact CB-CB 4.36Å; K82-E98 PolarHBondContact N-OE2 2.87Å; K82-E98 PolarHBondContact O-N 3.36Å; K82-E338 WeakPolarHBondContact CD-OE1 3.15Å
83	L	98	Very high	96.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.3	165.9	-175.6	69.1	0	0	0	110	M72 K73 V86 L95 T97 Y326	M72-L83 HydrophobicContact CB-CB 4.27Å; M72-L83 HydrophobicContact CB-CD2 4.05Å; M72-L83 HydrophobicContact CE-CB 4.36Å; M72-L83 HydrophobicContact CE-CD1 4.46Å; K73-L83 HydrophobicContact CG-CD2 3.83Å; L83-V86 HydrophobicContact CD1-CG2 4.48Å; L83-V86 HydrophobicContact CD2-CG2 4.04Å; L83-L95 HydrophobicContact CD1-CB 4.27Å; L83-T97 HydrophobicContact CD1-CG2 4.19Å; L83-Y326 HydrophobicContact CB-CD1 4.36Å; L83-Y326 HydrophobicContact CB-CE1 4.12Å; L83-Y326 HydrophobicContact CD2-CD1 3.85Å; L83-Y326 HydrophobicContact CD2-CE1 4.03Å; L83-Y326 HydrophobicContact CD2-CG 4.26Å; L83-Y326 HydrophobicContact CG-CD1 3.85Å; L83-Y326 HydrophobicContact CG-CE1 4.09Å; L83-Y326 WeakPolarHBondContact O-CE1 3.47Å
84	Y	97.8	Very high	96.4	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-40.2	173.4	-51.5	-59.5	0	0	0	112.7	V47 K82 V96 T97 E98 A331 L335 E338	V47-Y84 HydrophobicContact CG1-CD2 4.06Å; V47-Y84 HydrophobicContact CG1-CE2 4.04Å; K82-Y84 HydrophobicContact CB-CE1 4.23Å; K82-Y84 HydrophobicContact CD-CE1 4.2Å; K82-Y84 HydrophobicContact CG-CD1 4.33Å; K82-Y84 HydrophobicContact CG-CE1 4.06Å; Y84-V96 HydrophobicContact CD2-CG1 4.42Å; Y84-V96 PolarHBondContact N-O 2.77Å; Y84-T97 WeakPolarHBondContact CE2-O 3.48Å; Y84-E98 HydrophobicContact CE2-CB 4.28Å; Y84-E98 WeakPolarHBondContact OH-CA 3.24Å; Y84-E98 WeakPolarHBondContact OH-CB 3.42Å; Y84-A331 WeakPolarHBondContact O-CA 3.07Å; Y84-A331 WeakPolarHBondContact O-CB 3.5Å; Y84-L335 HydrophobicContact CD1-CD2 4.19Å; Y84-L335 HydrophobicContact CD1-CG 4.5Å; Y84-L335 HydrophobicContact CD2-CD2 3.69Å; Y84-L335 HydrophobicContact CD2-CG 4.42Å; Y84-L335 HydrophobicContact CE1-CD2 4.14Å; Y84-L335 HydrophobicContact CE2-CD2 3.62Å; Y84-L335 HydrophobicContact CG-CD2 3.96Å; Y84-L335 HydrophobicContact CG-CG 4.29Å; Y84-E338 WeakPolarHBondContact CE1-OE1 3.35Å; Y84-E338 WeakPolarHBondContact CE1-OE2 3.38Å; Y84-E338 VanDerWaalsContact CZ-OE2 3.31Å; Y84-E338 PolarHBondContact OH-OE2 3.31Å
85	Q	98.3	Very high	96.6	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.9	-175.3	-151	177.9	-26.4	0	0	112.4	Y21 M87 V96 Y326 A331	Y21-Q85 VanDerWaalsContact CE2-OE1 3.23Å; Y21-Q85 PolarHBondContact OH-OE1 3.43Å; Q85-M87 HydrophobicContact CG-CG 4.18Å; Q85-M87 VanDerWaalsContact NE2-CG 3.25Å; Q85-V96 HydrophobicContact CB-CB 3.84Å; Q85-V96 HydrophobicContact CB-CG2 3.92Å; Q85-V96 PolarHBondContact N-O 3.15Å; Q85-V96 PolarHBondContact O-N 3.09Å; Q85-Y326 WeakPolarHBondContact CA-O 3.42Å; Q85-Y326 WeakPolarHBondContact CG-O 3.36Å; Q85-A331 HydrophobicContact CB-CB 3.72Å; Q85-A331 HydrophobicContact CG-CB 3.88Å
86	V	98.1	Very high	96.7	Very high	29 Å²	29	39.5 Å²	39.5	18%	0.176	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.8	160.5	-174.7	0	0	0	0	107.3	V69 L83 L93 L95 Y326	V69-V86 HydrophobicContact CG1-CG2 3.82Å; L83-V86 HydrophobicContact CD1-CG2 4.48Å; L83-V86 HydrophobicContact CD2-CG2 4.04Å; V86-L93 HydrophobicContact CG1-CD1 3.76Å; V86-L95 HydrophobicContact CG1-CD2 4.01Å; V86-L95 HydrophobicContact CG2-CD2 4.22Å; V86-Y326 PolarHBondContact N-O 2.95Å
87	M	97.7	Very high	96.9	Very high	31 Å²	31	36.4 Å²	36.4	15%	0.153	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.5	168	-55.5	173	-67.9	0	0	108	V18 Y21 Q85 Y94 V96	V18-M87 HydrophobicContact CG1-CE 3.63Å; V18-M87 HydrophobicContact CG1-SD 4.32Å; Y21-M87 HydrophobicContact CD2-CE 4Å; Y21-M87 HydrophobicContact CD2-SD 4.38Å; Y21-M87 HydrophobicContact CE2-CE 4.06Å; Y21-M87 HydrophobicContact CE2-SD 4.17Å; Q85-M87 HydrophobicContact CG-CG 4.18Å; Q85-M87 VanDerWaalsContact NE2-CG 3.25Å; M87-Y94 HydrophobicContact CB-CD2 4.34Å; M87-Y94 HydrophobicContact CE-CG 4.39Å; M87-Y94 PolarHBondContact N-O 3.16Å; M87-Y94 PolarHBondContact O-N 2.8Å; M87-V96 HydrophobicContact CE-CG2 3.72Å
88	E	96.1	Very high	97	Very high	96 Å²	96	37.5 Å²	37.5	45%	0.449	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.8	-174.8	-171.5	169.7	166.9	0	0	110.6	K54 Y66 L93	K54-E88 IonicContact NZ-OE1 2.75Å; K54-E88 PolarHBondContact NZ-OE1 2.95Å; Y66-E88 PolarHBondContact OH-OE1 3.17Å; Y66-E88 VanDerWaalsContact OH-OE1 3.06Å; E88-L93 HydrophobicContact CB-CD1 3.78Å; E88-L93 HydrophobicContact CG-CD1 3.88Å
89	T	95.6	Very high	97.1	Very high	73 Å²	73	36.2 Å²	36.2	45%	0.448	18%	0.175	S	C	.	.			trans	-128.2	179	168.2	76.4	0	0	0	0	109	K54 N91 M92 Y94	K54-T89 WeakPolarHBondContact CE-O 3.49Å; K54-T89 PolarHBondContact NZ-O 2.87Å; T89-N91 PolarHBondContact O-N 3.12Å; T89-N91 PolarHBondContact OG1-N 3.28Å; T89-M92 PolarHBondContact N-O 2.98Å; T89-M92 PolarHBondContact OG1-N 2.91Å; T89-M92 VanDerWaalsContact OG1-N 3.12Å; T89-Y94 HydrophobicContact CG2-CE2 4.49Å
90	K	94.9	Very high	97	Very high	194 Å²	194	35.7 Å²	35.7	84%	0.843	17%	0.174	S	C	*	.	S	Bend	trans	-50.9	-41.1	174.4	-170.3	-179.8	179.7	176.2	0	112.6	K54	K54-K90 VanDerWaalsContact CE-O 3.3Å; K54-K90 WeakPolarHBondContact CE-O 3.35Å; K54-K90 PolarHBondContact NZ-O 3.39Å
91	N	94.6	Very high	96.8	Very high	79 Å²	79	40.9 Å²	40.9	42%	0.422	20%	0.196	S	C	.	.	S	Bend	trans	-110	-19.3	-169.4	-63.7	13.7	0	0	0	114.2	K54 T55 T89	K54-N91 WeakPolarHBondContact CB-O 3.01Å; K54-N91 PolarHBondContact N-O 2.79Å; T55-N91 HydrophobicContact CG2-CB 3.84Å; T89-N91 PolarHBondContact O-N 3.12Å; T89-N91 PolarHBondContact OG1-N 3.28Å
92	M	95.4	Very high	96.7	Very high	51 Å²	51	44.2 Å²	44.2	25%	0.251	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.4	-170.7	-67.3	-78.7	163	0	0	111.8	I51 I52 D53 T89 Y94	I51-M92 HydrophobicContact CG2-SD 4.42Å; I52-M92 WeakPolarHBondContact O-CA 3.48Å; D53-M92 HydrophobicContact CB-CE 3.83Å; D53-M92 HydrophobicContact CB-SD 4.03Å; D53-M92 VanDerWaalsContact CG-CE 3.45Å; D53-M92 WeakPolarHBondContact OD2-CE 3.47Å; T89-M92 PolarHBondContact N-O 2.98Å; T89-M92 PolarHBondContact OG1-N 2.91Å; T89-M92 VanDerWaalsContact OG1-N 3.12Å; M92-Y94 HydrophobicContact CB-CD2 4.37Å; M92-Y94 HydrophobicContact CB-CE2 3.54Å
93	L	96.9	Very high	96.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.1	170.2	-176.4	69.3	0	0	0	109.4	I52 K54 I65 V69 V86 E88 L95	I52-L93 HydrophobicContact CB-CB 4.36Å; I52-L93 HydrophobicContact CD1-CD2 4.43Å; I52-L93 PolarHBondContact N-O 2.77Å; I52-L93 PolarHBondContact O-N 3.43Å; K54-L93 HydrophobicContact CD-CB 4.48Å; K54-L93 HydrophobicContact CG-CB 4.44Å; I65-L93 HydrophobicContact CG2-CD2 3.47Å; I65-L93 VanDerWaalsContact CG2-CD2 3.47Å; V69-L93 HydrophobicContact CG2-CD2 4.31Å; V86-L93 HydrophobicContact CG1-CD1 3.76Å; E88-L93 HydrophobicContact CB-CD1 3.78Å; E88-L93 HydrophobicContact CG-CD1 3.88Å; L93-L95 HydrophobicContact CD1-CD2 4.33Å; L93-L95 HydrophobicContact CD2-CD2 4.13Å; L93-L95 HydrophobicContact CG-CD2 3.98Å
94	Y	97.8	Very high	96.4	Very high	42 Å²	42	46.4 Å²	46.4	17%	0.165	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	114.8	-177.2	-53.8	-101	0	0	0	109.5	V18 I49 I51 M87 T89 M92	V18-Y94 HydrophobicContact CB-CE1 4.46Å; V18-Y94 HydrophobicContact CG1-CD1 3.78Å; V18-Y94 HydrophobicContact CG1-CD2 4.37Å; V18-Y94 HydrophobicContact CG1-CE1 3.79Å; V18-Y94 HydrophobicContact CG1-CE2 4.37Å; V18-Y94 HydrophobicContact CG1-CG 4.1Å; V18-Y94 HydrophobicContact CG2-CD1 4.3Å; V18-Y94 HydrophobicContact CG2-CE1 3.84Å; I49-Y94 HydrophobicContact CG2-CD1 4.31Å; I51-Y94 HydrophobicContact CB-CD1 4.29Å; I51-Y94 HydrophobicContact CB-CE1 4.46Å; I51-Y94 HydrophobicContact CD1-CD1 4.27Å; I51-Y94 HydrophobicContact CD1-CE1 4.21Å; I51-Y94 HydrophobicContact CG1-CD1 3.87Å; I51-Y94 HydrophobicContact CG1-CE1 4.21Å; I51-Y94 HydrophobicContact CG2-CD1 3.86Å; I51-Y94 HydrophobicContact CG2-CE1 3.62Å; M87-Y94 HydrophobicContact CB-CD2 4.34Å; M87-Y94 HydrophobicContact CE-CG 4.39Å; M87-Y94 PolarHBondContact N-O 3.16Å; M87-Y94 PolarHBondContact O-N 2.8Å; T89-Y94 HydrophobicContact CG2-CE2 4.49Å; M92-Y94 HydrophobicContact CB-CD2 4.37Å; M92-Y94 HydrophobicContact CB-CE2 3.54Å
95	L	97.9	Very high	96.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.1	175.8	-47.6	-175.3	0	0	0	108.9	I49 K50 I52 V69 L83 V86 L93	I49-L95 CarbonylContact C-O 3.58Å; I49-L95 VanDerWaalsContact CA-O 3.31Å; I49-L95 WeakPolarHBondContact CA-O 3.38Å; K50-L95 HydrophobicContact CB-CB 4.32Å; K50-L95 PolarHBondContact N-O 3.34Å; K50-L95 PolarHBondContact O-N 2.92Å; I52-L95 HydrophobicContact CD1-CD1 4.35Å; V69-L95 HydrophobicContact CG2-CD1 3.82Å; V69-L95 HydrophobicContact CG2-CD2 3.48Å; V69-L95 VanDerWaalsContact CG2-CD2 3.48Å; V69-L95 HydrophobicContact CG2-CG 4.31Å; L83-L95 HydrophobicContact CD1-CB 4.27Å; V86-L95 HydrophobicContact CG1-CD2 4.01Å; V86-L95 HydrophobicContact CG2-CD2 4.22Å; L93-L95 HydrophobicContact CD1-CD2 4.33Å; L93-L95 HydrophobicContact CD2-CD2 4.13Å; L93-L95 HydrophobicContact CG-CD2 3.98Å
96	V	98.4	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.7	-179.4	-173.5	0	0	0	0	109.3	Y21 V47 A48 I49 Y84 Q85 M87	Y21-V96 HydrophobicContact CD1-CG1 4.41Å; Y21-V96 HydrophobicContact CD2-CG2 4.42Å; Y21-V96 HydrophobicContact CE1-CG1 3.73Å; Y21-V96 HydrophobicContact CE2-CG1 4.44Å; Y21-V96 HydrophobicContact CE2-CG2 3.94Å; V47-V96 HydrophobicContact CB-CG1 3.82Å; V47-V96 HydrophobicContact CG1-CG1 4.11Å; V47-V96 HydrophobicContact CG2-CG1 3.76Å; A48-V96 WeakPolarHBondContact O-CA 3.45Å; I49-V96 HydrophobicContact CD1-CG2 4.15Å; I49-V96 HydrophobicContact CG1-CG1 4.26Å; I49-V96 HydrophobicContact CG1-CG2 4.12Å; I49-V96 HydrophobicContact CG2-CG2 4.39Å; Y84-V96 HydrophobicContact CD2-CG1 4.42Å; Y84-V96 PolarHBondContact N-O 2.77Å; Q85-V96 HydrophobicContact CB-CB 3.84Å; Q85-V96 HydrophobicContact CB-CG2 3.92Å; Q85-V96 PolarHBondContact N-O 3.15Å; Q85-V96 PolarHBondContact O-N 3.09Å; M87-V96 HydrophobicContact CE-CG2 3.72Å
97	T	98	Very high	95.8	Very high	15 Å²	15	47.9 Å²	47.9	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	169.4	-170	72.4	0	0	0	0	112.8	V47 A48 M72 I81 K82 L83 Y84	V47-T97 WeakPolarHBondContact CB-O 3.42Å; A48-T97 PolarHBondContact N-O 2.7Å; A48-T97 PolarHBondContact O-N 2.76Å; M72-T97 HydrophobicContact CE-CG2 3.77Å; I81-T97 HydrophobicContact CG2-CG2 4.26Å; K82-T97 CarbonylContact O-C 3.32Å; K82-T97 WeakPolarHBondContact O-CA 3.46Å; K82-T97 VanDerWaalsContact O-CB 3.32Å; K82-T97 WeakPolarHBondContact O-CB 3.49Å; L83-T97 HydrophobicContact CD1-CG2 4.19Å; Y84-T97 WeakPolarHBondContact CE2-O 3.48Å
98	E	97.2	Very high	95.6	Very high	32 Å²	32	49.3 Å²	49.3	15%	0.15	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	142	168.7	-172.3	175.3	-168.3	0	0	112	I81 K82 Y84 K158	I81-E98 HydrophobicContact CD1-CB 4.18Å; I81-E98 HydrophobicContact CD1-CG 4.45Å; I81-E98 HydrophobicContact CG2-CB 4.3Å; K82-E98 HydrophobicContact CB-CB 4.36Å; K82-E98 PolarHBondContact N-OE2 2.87Å; K82-E98 PolarHBondContact O-N 3.36Å; Y84-E98 HydrophobicContact CE2-CB 4.28Å; Y84-E98 WeakPolarHBondContact OH-CA 3.24Å; Y84-E98 WeakPolarHBondContact OH-CB 3.42Å; E98-K158 VanDerWaalsContact CD-CE 3.46Å; E98-K158 WeakPolarHBondContact OE1-CE 3.21Å; E98-K158 IonicContact OE1-NZ 3.84Å; E98-K158 PolarHBondContact OE1-NZ 2.86Å; E98-K158 VanDerWaalsContact OE2-CE 3.27Å; E98-K158 WeakPolarHBondContact OE2-CE 3.5Å; E98-K158 IonicContact OE2-NZ 2.72Å; E98-K158 PolarHBondContact OE2-NZ 2.78Å
99	Y	96.9	Very high	95.5	Very high	37 Å²	37	44.9 Å²	44.9	15%	0.145	22%	0.223	C	C	.	.			trans	-102.9	101.5	175	175.7	-134.6	0	0	0	111.8	R25 L27 L37 E46 K101	R25-Y99 PolarHBondContact NH2-OH 3.02Å; L27-Y99 HydrophobicContact CD1-CD2 3.92Å; L27-Y99 HydrophobicContact CD1-CE2 3.87Å; L27-Y99 HydrophobicContact CD2-CE2 3.96Å; L37-Y99 HydrophobicContact CD1-CD1 3.45Å; L37-Y99 VanDerWaalsContact CD1-CD1 3.45Å; L37-Y99 HydrophobicContact CD1-CD2 4.16Å; L37-Y99 HydrophobicContact CD1-CE1 3.59Å; L37-Y99 HydrophobicContact CD1-CE2 4.32Å; L37-Y99 HydrophobicContact CD1-CG 3.77Å; L37-Y99 HydrophobicContact CD2-CE1 4.28Å; E46-Y99 HydrophobicContact CB-CD1 3.93Å; Y99-K101 HydrophobicContact CD1-CG 3.96Å; Y99-K101 HydrophobicContact CE1-CB 4.27Å; Y99-K101 HydrophobicContact CE1-CD 4.46Å; Y99-K101 HydrophobicContact CE1-CG 3.91Å; Y99-K101 PolarHBondContact O-N 3Å; Y99-K101 VanDerWaalsContact O-N 3.09Å; Y99-K101 PolarHBondContact OH-O 2.96Å
100	A	96.3	Very high	95.3	Very high	6 Å²	6	42.5 Å²	42.5	5%	0.05	21%	0.21	C	C	.	.			trans	-70.5	98.7	170.3	0	0	0	0	0	111	I81 N102 G103 L150 L151	I81-A100 HydrophobicContact CD1-CB 4.06Å; A100-N102 VanDerWaalsContact C-N 3.34Å; A100-N102 PolarHBondContact O-N 3.12Å; A100-G103 PolarHBondContact O-N 2.79Å; A100-L150 HydrophobicContact CB-CB 3.45Å; A100-L150 VanDerWaalsContact CB-CB 3.45Å; A100-L150 HydrophobicContact CB-CD1 3.96Å; A100-L150 HydrophobicContact CB-CG 4.36Å; A100-L151 CarbonylContact C-O 3.55Å; A100-L151 VanDerWaalsContact C-O 3.28Å; A100-L151 WeakPolarHBondContact CB-O 3.28Å
101	K	94	Very high	95.2	Very high	112 Å²	112	39.1 Å²	39.1	49%	0.487	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-33.7	-166.4	-55.9	-155.5	-177.1	-159.7	0	114.8	E46 Y99 G103 L151	E46-K101 WeakPolarHBondContact OE2-CE 3.45Å; E46-K101 IonicContact OE2-NZ 3.5Å; E46-K101 PolarHBondContact OE2-NZ 3.01Å; Y99-K101 HydrophobicContact CD1-CG 3.96Å; Y99-K101 HydrophobicContact CE1-CB 4.27Å; Y99-K101 HydrophobicContact CE1-CD 4.46Å; Y99-K101 HydrophobicContact CE1-CG 3.91Å; Y99-K101 PolarHBondContact O-N 3Å; Y99-K101 VanDerWaalsContact O-N 3.09Å; Y99-K101 PolarHBondContact OH-O 2.96Å; K101-G103 VanDerWaalsContact C-N 3.33Å; K101-L151 PolarHBondContact N-O 3.17Å
102	N	95.3	Very high	95.1	Very high	83 Å²	83	41.1 Å²	41.1	44%	0.444	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.7	-174.2	-72	-50.9	0	0	0	113.7	A100 L151 D152 M155	A100-N102 VanDerWaalsContact C-N 3.34Å; A100-N102 PolarHBondContact O-N 3.12Å; N102-L151 HydrophobicContact CB-CB 3.7Å; N102-L151 PolarHBondContact N-O 2.62Å; N102-D152 PolarHBondContact ND2-O 3.38Å; N102-M155 HydrophobicContact CB-SD 3.85Å; N102-M155 PolarHBondContact ND2-SD 2.77Å
103	G	94	Very high	95	Very high	29 Å²	29	39.8 Å²	39.8	30%	0.299	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.3	-154.8	172.8	0	0	0	0	0	113.6	A100 K101 L150 L151	A100-G103 PolarHBondContact O-N 2.79Å; K101-G103 VanDerWaalsContact C-N 3.33Å; G103-L150 CarbonylContact O-C 3.44Å; G103-L150 VanDerWaalsContact O-CA 3.26Å; G103-L150 WeakPolarHBondContact O-CA 3.43Å; G103-L151 PolarHBondContact O-N 3.12Å
104	E	94.1	Very high	94.8	Very high	46 Å²	46	44.3 Å²	44.3	22%	0.215	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.1	-174.8	-59.2	162.5	-157.6	0	0	111.1	F106 D107 Y108 E147 L150 K614	E104-F106 HydrophobicContact CB-CB 4.47Å; E104-F106 PolarHBondContact O-N 3.49Å; E104-D107 HydrophobicContact CB-CB 4.18Å; E104-D107 WeakPolarHBondContact O-CA 3.49Å; E104-D107 WeakPolarHBondContact O-CB 3.4Å; E104-D107 PolarHBondContact O-N 3.09Å; E104-Y108 PolarHBondContact O-N 3.27Å; E104-Y108 VanDerWaalsContact O-N 3.08Å; E104-E147 WeakPolarHBondContact CG-O 3.49Å; E104-L150 HydrophobicContact CB-CD2 4.2Å; E104-L150 HydrophobicContact CG-CD2 3.49Å; E104-L150 VanDerWaalsContact CG-CD2 3.49Å; E104-K614 IonicContact OE1-NZ 3.72Å; E104-K614 PolarHBondContact OE1-NZ 2.8Å; E104-K614 IonicContact OE2-NZ 3.97Å; E104-K614 PolarHBondContact OE2-NZ 2.92Å
105	I	95.8	Very high	94.8	Very high	3 Å²	3	43 Å²	43	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-28.1	177.6	-163.5	164.4	0	0	0	111.9	D107 Y108 L109 K123 A146 L149 L151 I157 L211	I105-D107 VanDerWaalsContact C-N 3.29Å; I105-D107 PolarHBondContact O-N 3.35Å; I105-Y108 WeakPolarHBondContact O-CB 3.42Å; I105-Y108 PolarHBondContact O-N 2.86Å; I105-L109 HydrophobicContact CG1-CG 4.49Å; I105-L109 VanDerWaalsContact O-CG 3.28Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 3.35Å; I105-K123 HydrophobicContact CD1-CG 4.29Å; I105-A146 HydrophobicContact CG2-CB 4.14Å; I105-A146 WeakPolarHBondContact CG2-O 3.47Å; I105-L149 HydrophobicContact CG2-CB 3.66Å; I105-L149 WeakPolarHBondContact CG2-O 3.43Å; I105-L149 PolarHBondContact N-O 2.97Å; I105-L151 HydrophobicContact CB-CD1 4.19Å; I105-L151 HydrophobicContact CB-CG 4.25Å; I105-L151 HydrophobicContact CD1-CD2 4.24Å; I105-L151 HydrophobicContact CG1-CD1 4.24Å; I105-L151 HydrophobicContact CG1-CD2 4.49Å; I105-I157 HydrophobicContact CD1-CD1 3.78Å; I105-L211 HydrophobicContact CD1-CD2 3.54Å; I105-L211 HydrophobicContact CG1-CD2 4.18Å
106	F	92.2	Very high	94.7	Very high	12 Å²	12	45.5 Å²	45.5	5%	0.053	23%	0.232	C	C	.	.	H	α-helix	trans	-50.9	-48.8	165.7	-178.2	-87.1	0	0	0	111.9	E104 Y108 L109 A110 A146 E147 L607 L610	E104-F106 HydrophobicContact CB-CB 4.47Å; E104-F106 PolarHBondContact O-N 3.49Å; F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 2.92Å; F106-L109 PolarHBondContact O-N 2.78Å; F106-A110 WeakPolarHBondContact O-CB 3.49Å; F106-A110 PolarHBondContact O-N 2.76Å; F106-A146 HydrophobicContact CB-CB 3.89Å; F106-A146 HydrophobicContact CD2-CB 4.23Å; F106-A146 PolarHBondContact N-O 2.93Å; F106-E147 HydrophobicContact CB-CG 4.09Å; F106-E147 HydrophobicContact CD1-CG 4.33Å; F106-E147 HydrophobicContact CD2-CG 3.7Å; F106-E147 HydrophobicContact CE2-CG 4.1Å; F106-E147 HydrophobicContact CG-CG 3.82Å; F106-L607 HydrophobicContact CD1-CD2 4.05Å; F106-L607 HydrophobicContact CD2-CD2 3.97Å; F106-L607 HydrophobicContact CE1-CB 4.38Å; F106-L607 HydrophobicContact CE1-CD2 3.58Å; F106-L607 HydrophobicContact CE2-CD2 3.5Å; F106-L607 HydrophobicContact CG-CD2 4.23Å; F106-L607 HydrophobicContact CZ-CB 4.34Å; F106-L607 HydrophobicContact CZ-CD2 3.29Å; F106-L607 HydrophobicContact CZ-CG 4.37Å; F106-L610 HydrophobicContact CE2-CB 4.48Å; F106-L610 HydrophobicContact CE2-CD2 3.8Å; F106-L610 HydrophobicContact CZ-CB 3.69Å; F106-L610 HydrophobicContact CZ-CD2 3.87Å; F106-L610 HydrophobicContact CZ-CG 4.44Å
107	D	91.9	Very high	94.5	Very high	61 Å²	61	46.8 Å²	46.8	33%	0.326	24%	0.237	S	C	.	.	H	α-helix	trans	-74.3	-22.2	-177.6	-143.9	50.3	0	0	0	111.9	E104 I105 K111	E104-D107 HydrophobicContact CB-CB 4.18Å; E104-D107 WeakPolarHBondContact O-CA 3.49Å; E104-D107 WeakPolarHBondContact O-CB 3.4Å; E104-D107 PolarHBondContact O-N 3.09Å; I105-D107 VanDerWaalsContact C-N 3.29Å; I105-D107 PolarHBondContact O-N 3.35Å; D107-K111 VanDerWaalsContact CG-NZ 3.35Å; D107-K111 WeakPolarHBondContact O-CD 3.08Å; D107-K111 WeakPolarHBondContact O-CE 3.49Å; D107-K111 WeakPolarHBondContact O-CG 3.4Å; D107-K111 PolarHBondContact O-NZ 3.28Å; D107-K111 IonicContact OD2-NZ 3.66Å; D107-K111 PolarHBondContact OD2-NZ 2.94Å
108	Y	94.6	Very high	94.4	Very high	62 Å²	62	49 Å²	49	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-74.5	-49.2	168.7	-179.5	-90.6	0	0	0	111.9	E104 I105 F106 A110 K111 H112 L115 L151 M155	E104-Y108 PolarHBondContact O-N 3.27Å; E104-Y108 VanDerWaalsContact O-N 3.08Å; I105-Y108 WeakPolarHBondContact O-CB 3.42Å; I105-Y108 PolarHBondContact O-N 2.86Å; F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 2.92Å; Y108-A110 VanDerWaalsContact C-N 3.27Å; Y108-A110 PolarHBondContact O-N 3.38Å; Y108-K111 PolarHBondContact O-N 2.58Å; Y108-K111 VanDerWaalsContact O-N 3.12Å; Y108-H112 AromaticContact CD1-ND1 3.96Å; Y108-H112 AromaticContact CD2-CE1 3.45Å; Y108-H112 VanDerWaalsContact CD2-CE1 3.45Å; Y108-H112 WeakPolarHBondContact CD2-CE1 3.5Å; Y108-H112 AromaticContact CD2-ND1 3.26Å; Y108-H112 VanDerWaalsContact CD2-ND1 3.26Å; Y108-H112 WeakPolarHBondContact CD2-ND1 3.37Å; Y108-H112 HydrophobicContact CE1-CB 4.16Å; Y108-H112 AromaticContact CE1-ND1 3.94Å; Y108-H112 AromaticContact CE2-CE1 3.38Å; Y108-H112 WeakPolarHBondContact CE2-CE1 3.4Å; Y108-H112 AromaticContact CE2-CG 3.88Å; Y108-H112 AromaticContact CE2-ND1 3.24Å; Y108-H112 WeakPolarHBondContact CE2-ND1 3.15Å; Y108-H112 AromaticContact CG-ND1 3.64Å; Y108-H112 AromaticContact CZ-CG 3.83Å; Y108-H112 AromaticContact CZ-ND1 3.6Å; Y108-H112 PolarHBondContact O-N 3.36Å; Y108-H112 PolarHBondContact O-ND1 3.36Å; Y108-L115 HydrophobicContact CD1-CD2 4.43Å; Y108-L115 HydrophobicContact CE1-CD2 3.83Å; Y108-L151 HydrophobicContact CD2-CD1 4.33Å; Y108-L151 HydrophobicContact CG-CD1 4.1Å; Y108-M155 HydrophobicContact CD2-CE 3.56Å; Y108-M155 HydrophobicContact CE2-CE 3.31Å; Y108-M155 HydrophobicContact CG-CE 4.33Å
109	L	93.8	Very high	94.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-37.7	176.7	-68.6	168.4	0	0	0	111.5	I105 F106 K111 G113 L115 V210 L211	I105-L109 HydrophobicContact CG1-CG 4.49Å; I105-L109 VanDerWaalsContact O-CG 3.28Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 3.35Å; F106-L109 PolarHBondContact O-N 2.78Å; L109-K111 PolarHBondContact O-N 2.69Å; L109-G113 WeakPolarHBondContact CA-O 3.3Å; L109-G113 WeakPolarHBondContact CD2-O 3.19Å; L109-G113 CarbonylContact O-C 3.38Å; L109-G113 VanDerWaalsContact O-CA 3.23Å; L109-G113 WeakPolarHBondContact O-CA 3.47Å; L109-G113 PolarHBondContact O-N 3Å; L109-L115 HydrophobicContact CD2-CG 4.07Å; L109-V210 HydrophobicContact CD1-CG1 3.79Å; L109-L211 HydrophobicContact CD1-CD2 4.35Å
110	A	91.4	Very high	94.2	Very high	23 Å²	23	49.6 Å²	49.6	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-33.9	176	0	0	0	0	0	113.7	F106 Y108 L607	F106-A110 WeakPolarHBondContact O-CB 3.49Å; F106-A110 PolarHBondContact O-N 2.76Å; Y108-A110 VanDerWaalsContact C-N 3.27Å; Y108-A110 PolarHBondContact O-N 3.38Å; A110-L607 HydrophobicContact CB-CB 4.43Å; A110-L607 HydrophobicContact CB-CD1 3.57Å; A110-L607 HydrophobicContact CB-CD2 4.39Å; A110-L607 HydrophobicContact CB-CG 4.36Å
111	K	93.2	Very high	94.2	Very high	124 Å²	124	49.8 Å²	49.8	54%	0.539	25%	0.252	S	S	.	.	H	α-helix	trans	-89.1	-48	-176.9	-66.1	162.6	-162	149.5	0	111.6	D107 Y108 L109 R604	D107-K111 VanDerWaalsContact CG-NZ 3.35Å; D107-K111 WeakPolarHBondContact O-CD 3.08Å; D107-K111 WeakPolarHBondContact O-CE 3.49Å; D107-K111 WeakPolarHBondContact O-CG 3.4Å; D107-K111 PolarHBondContact O-NZ 3.28Å; D107-K111 IonicContact OD2-NZ 3.66Å; D107-K111 PolarHBondContact OD2-NZ 2.94Å; Y108-K111 PolarHBondContact O-N 2.58Å; Y108-K111 VanDerWaalsContact O-N 3.12Å; L109-K111 PolarHBondContact O-N 2.69Å; K111-R604 PolarHBondContact O-NH2 2.82Å
112	H	92.4	Very high	94.3	Very high	121 Å²	121	50.2 Å²	50.2	56%	0.56	25%	0.251	S	S	*	.	H	α-helix	trans	-97	-15.7	-170.5	-52.6	93.3	0	0	0	114.1	Y108	Y108-H112 AromaticContact CD1-ND1 3.96Å; Y108-H112 AromaticContact CD2-CE1 3.45Å; Y108-H112 VanDerWaalsContact CD2-CE1 3.45Å; Y108-H112 WeakPolarHBondContact CD2-CE1 3.5Å; Y108-H112 AromaticContact CD2-ND1 3.26Å; Y108-H112 VanDerWaalsContact CD2-ND1 3.26Å; Y108-H112 WeakPolarHBondContact CD2-ND1 3.37Å; Y108-H112 HydrophobicContact CE1-CB 4.16Å; Y108-H112 AromaticContact CE1-ND1 3.94Å; Y108-H112 AromaticContact CE2-CE1 3.38Å; Y108-H112 WeakPolarHBondContact CE2-CE1 3.4Å; Y108-H112 AromaticContact CE2-CG 3.88Å; Y108-H112 AromaticContact CE2-ND1 3.24Å; Y108-H112 WeakPolarHBondContact CE2-ND1 3.15Å; Y108-H112 AromaticContact CG-ND1 3.64Å; Y108-H112 AromaticContact CZ-CG 3.83Å; Y108-H112 AromaticContact CZ-ND1 3.6Å; Y108-H112 PolarHBondContact O-N 3.36Å; Y108-H112 PolarHBondContact O-ND1 3.36Å
113	G	92.3	Very high	94.4	Very high	22 Å²	22	48 Å²	48	23%	0.227	24%	0.237	C	C	.	.			trans	89.8	-167.4	-171	0	0	0	0	0	112.6	L109	L109-G113 WeakPolarHBondContact CA-O 3.3Å; L109-G113 WeakPolarHBondContact CD2-O 3.19Å; L109-G113 CarbonylContact O-C 3.38Å; L109-G113 VanDerWaalsContact O-CA 3.23Å; L109-G113 WeakPolarHBondContact O-CA 3.47Å; L109-G113 PolarHBondContact O-N 3Å
114	R	94	Very high	94.5	Very high	98 Å²	98	46.6 Å²	46.6	37%	0.37	22%	0.223	S	C	.	.	S	Bend	trans	-66.7	149.8	178.1	74.5	-162.2	-169.8	78.4	-0.5	111.9	V212 C213 F240	R114-V212 VanDerWaalsContact CD-O 3.26Å; R114-V212 WeakPolarHBondContact CD-O 3.38Å; R114-V212 PolarHBondContact NH1-O 3.45Å; R114-C213 WeakPolarHBondContact CD-O 3.45Å; R114-F240 VanDerWaalsContact NH1-CD2 3.3Å; R114-F240 VanDerWaalsContact NH2-CD2 3.31Å; R114-F240 VanDerWaalsContact NH2-CG 3.3Å
115	L	96.4	Very high	94.6	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-73.3	158	173.5	-62.4	-176.9	0	0	0	111.3	Y108 L109 E119 A120 K123 L211	Y108-L115 HydrophobicContact CD1-CD2 4.43Å; Y108-L115 HydrophobicContact CE1-CD2 3.83Å; L109-L115 HydrophobicContact CD2-CG 4.07Å; L115-E119 HydrophobicContact CB-CB 4.18Å; L115-E119 HydrophobicContact CD1-CB 4.4Å; L115-E119 HydrophobicContact CD2-CB 4.49Å; L115-A120 HydrophobicContact CB-CB 4.17Å; L115-A120 HydrophobicContact CD1-CB 4.34Å; L115-K123 HydrophobicContact CD1-CG 4.14Å; L115-L211 HydrophobicContact CD1-CB 4.4Å; L115-L211 HydrophobicContact CD1-CD2 3.89Å; L115-L211 PolarHBondContact N-O 3.44Å
116	S	96	Very high	94.7	Very high	54 Å²	54	46.4 Å²	46.4	38%	0.378	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-66.1	154.1	158.7	68.5	0	0	0	0	110.4	L118 E119 A120	S116-L118 PolarHBondContact O-N 3.46Å; S116-E119 VanDerWaalsContact CB-OE2 3.29Å; S116-E119 WeakPolarHBondContact CB-OE2 3.3Å; S116-E119 PolarHBondContact N-OE2 3.13Å; S116-E119 PolarHBondContact O-N 3.04Å; S116-E119 VanDerWaalsContact O-N 3.12Å; S116-E119 VanDerWaalsContact OG-CD 3.3Å; S116-E119 VanDerWaalsContact OG-CG 3.3Å; S116-E119 WeakPolarHBondContact OG-CG 3.29Å; S116-E119 PolarHBondContact OG-N 3.01Å; S116-E119 PolarHBondContact OG-OE2 3.32Å; S116-A120 WeakPolarHBondContact O-CB 3.24Å; S116-A120 PolarHBondContact O-N 3.06Å
117	E	95.9	Very high	95	Very high	26 Å²	26	45.9 Å²	45.9	12%	0.121	22%	0.218	C	C	.	.	H	α-helix	trans	-59.4	-32.2	177.2	-73.6	-170.5	-158.2	0	0	112.6	R121 V212 M241 T242 C245 W271	E117-R121 WeakPolarHBondContact O-CB 3.26Å; E117-R121 PolarHBondContact O-N 3.34Å; E117-V212 HydrophobicContact CG-CG1 4.14Å; E117-M241 WeakPolarHBondContact OE1-CA 3.41Å; E117-T242 PolarHBondContact OE1-N 3.33Å; E117-T242 PolarHBondContact OE1-OG1 3.42Å; E117-T242 WeakPolarHBondContact OE2-CG2 3.42Å; E117-T242 PolarHBondContact OE2-OG1 3.29Å; E117-C245 WeakPolarHBondContact OE2-CB 3.47Å; E117-W271 HydrophobicContact CB-CZ2 3.99Å; E117-W271 HydrophobicContact CG-CZ2 4.32Å; E117-W271 WeakPolarHBondContact O-CZ2 3.4Å; E117-W271 PolarHBondContact OE2-NE1 2.91Å
118	L	94	Very high	95.3	Very high	61 Å²	61	43 Å²	43	32%	0.319	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-42.1	175.4	178	60.3	0	0	0	112.4	S116 R122 D275	S116-L118 PolarHBondContact O-N 3.46Å; L118-R122 VanDerWaalsContact O-CG 3.31Å; L118-R122 WeakPolarHBondContact O-CG 3.43Å; L118-R122 PolarHBondContact O-N 2.67Å; L118-D275 HydrophobicContact CD1-CB 3.7Å
119	E	94.8	Very high	95.4	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	19%	0.193	S	C	.	.	H	α-helix	trans	-73.2	-43.5	176.3	-68.6	163.4	122.2	0	0	111.4	L115 S116 R121 R122 K123	L115-E119 HydrophobicContact CB-CB 4.18Å; L115-E119 HydrophobicContact CD1-CB 4.4Å; L115-E119 HydrophobicContact CD2-CB 4.49Å; S116-E119 VanDerWaalsContact CB-OE2 3.29Å; S116-E119 WeakPolarHBondContact CB-OE2 3.3Å; S116-E119 PolarHBondContact N-OE2 3.13Å; S116-E119 PolarHBondContact O-N 3.04Å; S116-E119 VanDerWaalsContact O-N 3.12Å; S116-E119 VanDerWaalsContact OG-CD 3.3Å; S116-E119 VanDerWaalsContact OG-CG 3.3Å; S116-E119 WeakPolarHBondContact OG-CG 3.29Å; S116-E119 PolarHBondContact OG-N 3.01Å; S116-E119 PolarHBondContact OG-OE2 3.32Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.61Å; E119-R122 WeakPolarHBondContact O-CB 3.49Å; E119-R122 PolarHBondContact O-N 2.73Å; E119-R122 VanDerWaalsContact O-N 3.16Å; E119-K123 WeakPolarHBondContact O-CG 3.31Å; E119-K123 PolarHBondContact O-N 2.91Å
120	A	96.9	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-45.6	175.4	0	0	0	0	0	110.9	L115 S116 R122 K123 F124 L211 V212 W271	L115-A120 HydrophobicContact CB-CB 4.17Å; L115-A120 HydrophobicContact CD1-CB 4.34Å; S116-A120 WeakPolarHBondContact O-CB 3.24Å; S116-A120 PolarHBondContact O-N 3.06Å; A120-R122 VanDerWaalsContact C-N 3.34Å; A120-R122 PolarHBondContact O-N 3.36Å; A120-K123 CarbonylContact O-C 3.59Å; A120-K123 PolarHBondContact O-N 3.29Å; A120-K123 VanDerWaalsContact O-N 3.14Å; A120-F124 VanDerWaalsContact O-CB 3.27Å; A120-F124 WeakPolarHBondContact O-CB 3.38Å; A120-F124 PolarHBondContact O-N 2.83Å; A120-L211 HydrophobicContact CB-CB 4.06Å; A120-V212 HydrophobicContact CB-CG1 3.45Å; A120-V212 VanDerWaalsContact CB-CG1 3.45Å; A120-W271 HydrophobicContact CB-CH2 4.34Å
121	R	96.1	Very high	95.9	Very high	11 Å²	11	39.2 Å²	39.2	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-43	175.2	-172.8	-171.7	-60.3	128.2	-5.1	112.2	E117 E119 F124 W125 W271 M272 D275	E117-R121 WeakPolarHBondContact O-CB 3.26Å; E117-R121 PolarHBondContact O-N 3.34Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.61Å; R121-F124 PolarHBondContact O-N 3.13Å; R121-W125 PolarHBondContact O-N 2.88Å; R121-W271 VanDerWaalsContact CA-CH2 3.43Å; R121-W271 HydrophobicContact CB-CE3 4.48Å; R121-W271 HydrophobicContact CB-CH2 3.58Å; R121-W271 HydrophobicContact CB-CZ2 3.99Å; R121-W271 HydrophobicContact CB-CZ3 3.85Å; R121-W271 WeakPolarHBondContact CD-O 3.19Å; R121-W271 HydrophobicContact CG-CE3 4.28Å; R121-W271 HydrophobicContact CG-CH2 4.24Å; R121-W271 HydrophobicContact CG-CZ3 4.01Å; R121-W271 PolarHBondContact NE-O 2.63Å; R121-M272 HydrophobicContact CG-SD 4.15Å; R121-D275 IonicContact CZ-OD2 2.78Å; R121-D275 IonicContact NH1-OD2 3.25Å; R121-D275 PolarHBondContact NH1-OD2 3.1Å
122	R	94.8	Very high	96.1	Very high	121 Å²	121	35.1 Å²	35.1	46%	0.457	17%	0.167	S	C	.	.	H	α-helix	trans	-62.5	-41.4	175.7	-70.4	168	-174.3	179.7	2	111.9	L118 E119 A120 Q126 P277	L118-R122 VanDerWaalsContact O-CG 3.31Å; L118-R122 WeakPolarHBondContact O-CG 3.43Å; L118-R122 PolarHBondContact O-N 2.67Å; E119-R122 WeakPolarHBondContact O-CB 3.49Å; E119-R122 PolarHBondContact O-N 2.73Å; E119-R122 VanDerWaalsContact O-N 3.16Å; A120-R122 VanDerWaalsContact C-N 3.34Å; A120-R122 PolarHBondContact O-N 3.36Å; R122-Q126 WeakPolarHBondContact O-CG 3.36Å; R122-P277 HydrophobicContact CG-CG 4.2Å
123	K	96.9	Very high	96.3	Very high	36 Å²	36	30.2 Å²	30.2	16%	0.157	14%	0.144	C	C	.	.	H	α-helix	trans	-70.5	-37.8	174.2	-57	-54.6	153.3	-157.5	0	112.1	I105 L115 E119 A120 Q126 I127 M155 I157	I105-K123 HydrophobicContact CD1-CG 4.29Å; L115-K123 HydrophobicContact CD1-CG 4.14Å; E119-K123 WeakPolarHBondContact O-CG 3.31Å; E119-K123 PolarHBondContact O-N 2.91Å; A120-K123 CarbonylContact O-C 3.59Å; A120-K123 PolarHBondContact O-N 3.29Å; A120-K123 VanDerWaalsContact O-N 3.14Å; K123-Q126 WeakPolarHBondContact O-CB 3.27Å; K123-Q126 PolarHBondContact O-N 2.81Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; K123-I127 WeakPolarHBondContact O-CG1 3.48Å; K123-I127 PolarHBondContact O-N 3.06Å; K123-M155 WeakPolarHBondContact CE-O 3.36Å; K123-M155 PolarHBondContact NZ-O 3.23Å; K123-I157 HydrophobicContact CB-CD1 4.05Å; K123-I157 HydrophobicContact CB-CG1 3.84Å; K123-I157 HydrophobicContact CD-CD1 4.09Å; K123-I157 HydrophobicContact CD-CG1 3.91Å; K123-I157 HydrophobicContact CG-CD1 4.33Å; K123-I157 HydrophobicContact CG-CG1 4.34Å
124	F	97.8	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.6	-35.3	-178.3	-159.9	-112.8	0	0	0	112.6	A120 R121 Q126 I127 L128 M204 L208 L248 M252 I266 W271 M272	A120-F124 VanDerWaalsContact O-CB 3.27Å; A120-F124 WeakPolarHBondContact O-CB 3.38Å; A120-F124 PolarHBondContact O-N 2.83Å; R121-F124 PolarHBondContact O-N 3.13Å; F124-Q126 VanDerWaalsContact C-N 3.28Å; F124-Q126 PolarHBondContact O-N 3.25Å; F124-I127 HydrophobicContact CD2-CD1 4.28Å; F124-I127 PolarHBondContact O-N 3.38Å; F124-L128 WeakPolarHBondContact O-CB 3.46Å; F124-L128 PolarHBondContact O-N 2.96Å; F124-M204 HydrophobicContact CE1-CE 4.27Å; F124-M204 HydrophobicContact CE2-CB 4.06Å; F124-M204 HydrophobicContact CE2-CE 3.91Å; F124-M204 WeakPolarHBondContact CE2-O 3.14Å; F124-M204 HydrophobicContact CZ-CB 4.15Å; F124-M204 HydrophobicContact CZ-CE 3.65Å; F124-L208 HydrophobicContact CB-CD1 4.38Å; F124-L208 HydrophobicContact CD1-CD1 4.43Å; F124-L208 HydrophobicContact CD1-CD2 4.3Å; F124-L208 HydrophobicContact CD2-CB 4.03Å; F124-L208 HydrophobicContact CD2-CD1 4.14Å; F124-L208 HydrophobicContact CD2-CG 4.5Å; F124-L208 HydrophobicContact CE1-CD2 4Å; F124-L208 HydrophobicContact CE2-CB 3.71Å; F124-L208 HydrophobicContact CE2-CD2 4.43Å; F124-L208 HydrophobicContact CE2-CG 4.44Å; F124-L208 HydrophobicContact CG-CD1 4.06Å; F124-L208 HydrophobicContact CZ-CB 4.08Å; F124-L208 HydrophobicContact CZ-CD2 4.06Å; F124-L248 HydrophobicContact CE1-CD2 4.38Å; F124-M252 HydrophobicContact CE1-SD 4.25Å; F124-M252 HydrophobicContact CZ-CE 3.85Å; F124-M252 HydrophobicContact CZ-SD 3.87Å; F124-I266 HydrophobicContact CE1-CG2 4.09Å; F124-W271 HydrophobicContact CB-CZ3 4.43Å; F124-W271 HydrophobicContact CD1-CZ3 4.28Å; F124-M272 HydrophobicContact CD1-CE 3.78Å; F124-M272 HydrophobicContact CD1-SD 3.73Å; F124-M272 HydrophobicContact CE1-SD 4.5Å
125	W	96.3	Very high	96.7	Very high	30 Å²	30	25.8 Å²	25.8	11%	0.114	12%	0.122	C	C	.	.	H	α-helix	trans	-58.5	-37.6	167.2	-91.9	112.7	0	0	0	112.8	R121 L128 S129 K267 M272 L283	R121-W125 PolarHBondContact O-N 2.88Å; W125-L128 HydrophobicContact CE3-CD2 4.31Å; W125-L128 HydrophobicContact CZ3-CD2 4.3Å; W125-S129 WeakPolarHBondContact O-CB 3.14Å; W125-S129 PolarHBondContact O-N 3.07Å; W125-K267 HydrophobicContact CH2-CB 4.02Å; W125-K267 HydrophobicContact CH2-CG 4.08Å; W125-K267 HydrophobicContact CZ3-CB 4.35Å; W125-K267 HydrophobicContact CZ3-CG 3.9Å; W125-M272 HydrophobicContact CB-CE 4.31Å; W125-M272 HydrophobicContact CD2-CE 3.52Å; W125-M272 HydrophobicContact CE3-CE 4.12Å; W125-M272 HydrophobicContact CG-CE 3.59Å; W125-M272 HydrophobicContact CZ2-CB 3.91Å; W125-M272 HydrophobicContact CZ2-CE 4.19Å; W125-M272 PolarHBondContact NE1-O 3.05Å; W125-L283 HydrophobicContact CZ3-CD1 4.46Å; W125-L283 HydrophobicContact CZ3-CD2 4.45Å
126	Q	97	Very high	96.6	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-70.7	-42.7	177.8	-64.2	179.2	-31.1	0	0	111.6	H77 H79 R122 K123 F124 A130 N156 I157	H77-Q126 PolarHBondContact CE1-O 2.91Å; H79-Q126 HydrophobicContact CB-CB 4.34Å; H79-Q126 VanDerWaalsContact CE1-CD 3.48Å; H79-Q126 PolarHBondContact CE1-NE2 3.39Å; H79-Q126 VanDerWaalsContact CE1-NE2 3.29Å; R122-Q126 WeakPolarHBondContact O-CG 3.36Å; K123-Q126 WeakPolarHBondContact O-CB 3.27Å; K123-Q126 PolarHBondContact O-N 2.81Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; F124-Q126 VanDerWaalsContact C-N 3.28Å; F124-Q126 PolarHBondContact O-N 3.25Å; Q126-A130 PolarHBondContact O-N 3.32Å; Q126-N156 PolarHBondContact NE2-OD1 3.12Å; Q126-I157 HydrophobicContact CB-CB 3.91Å; Q126-I157 HydrophobicContact CB-CG1 4.16Å
127	I	98.3	Very high	96.6	Very high	2 Å²	2	30 Å²	30	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-52.5	174	-63	160.8	0	0	0	110.3	K123 F124 S129 A130 V131 L149 I157 I159 M204 V207 L211	K123-I127 WeakPolarHBondContact O-CG1 3.48Å; K123-I127 PolarHBondContact O-N 3.06Å; F124-I127 HydrophobicContact CD2-CD1 4.28Å; F124-I127 PolarHBondContact O-N 3.38Å; I127-S129 VanDerWaalsContact C-N 3.3Å; I127-S129 PolarHBondContact O-N 2.92Å; I127-A130 PolarHBondContact O-N 2.81Å; I127-V131 HydrophobicContact CG2-CG2 4.18Å; I127-V131 WeakPolarHBondContact O-CG2 3.49Å; I127-V131 PolarHBondContact O-N 2.81Å; I127-L149 HydrophobicContact CD1-CD1 3.76Å; I127-L149 HydrophobicContact CG1-CD1 4.24Å; I127-L149 HydrophobicContact CG1-CD2 4.16Å; I127-I157 HydrophobicContact CG1-CG1 4.13Å; I127-I157 HydrophobicContact CG1-CG2 3.87Å; I127-I159 HydrophobicContact CG2-CD1 4.44Å; I127-M204 HydrophobicContact CG2-CE 4.21Å; I127-M204 HydrophobicContact CG2-CG 4.1Å; I127-M204 HydrophobicContact CG2-SD 4.4Å; I127-V207 HydrophobicContact CD1-CG1 3.94Å; I127-L211 HydrophobicContact CD1-CD1 4.24Å
128	L	97.6	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.2	-41	-180	176.8	59.4	0	0	0	112.2	F124 W125 E132 M204 L263 I266 K267 M272	F124-L128 WeakPolarHBondContact O-CB 3.46Å; F124-L128 PolarHBondContact O-N 2.96Å; W125-L128 HydrophobicContact CE3-CD2 4.31Å; W125-L128 HydrophobicContact CZ3-CD2 4.3Å; L128-E132 VanDerWaalsContact O-CB 3.27Å; L128-E132 WeakPolarHBondContact O-CB 3.42Å; L128-E132 PolarHBondContact O-N 2.59Å; L128-M204 HydrophobicContact CB-CE 3.95Å; L128-M204 HydrophobicContact CD1-CE 3.92Å; L128-L263 HydrophobicContact CD1-CB 4.15Å; L128-L263 HydrophobicContact CD1-CD2 3.87Å; L128-L263 HydrophobicContact CD1-CG 4.49Å; L128-I266 HydrophobicContact CD1-CG2 4.12Å; L128-I266 HydrophobicContact CD2-CG2 3.84Å; L128-K267 HydrophobicContact CD2-CG 3.65Å; L128-K267 HydrophobicContact CG-CG 4.25Å; L128-M272 HydrophobicContact CD2-CE 3.64Å
129	S	96.8	Very high	96.7	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-66.7	-35.7	176.2	-173.8	0	0	0	0	113.3	H77 W125 I127 Y133 L283	H77-S129 WeakPolarHBondContact CE1-CB 3.34Å; H77-S129 PolarHBondContact CE1-OG 2.99Å; H77-S129 WeakPolarHBondContact NE2-CB 3.32Å; H77-S129 PolarHBondContact NE2-O 3.3Å; H77-S129 PolarHBondContact NE2-OG 3.36Å; W125-S129 WeakPolarHBondContact O-CB 3.14Å; W125-S129 PolarHBondContact O-N 3.07Å; I127-S129 VanDerWaalsContact C-N 3.3Å; I127-S129 PolarHBondContact O-N 2.92Å; S129-Y133 VanDerWaalsContact O-CB 3.3Å; S129-Y133 WeakPolarHBondContact O-CB 3.29Å; S129-Y133 PolarHBondContact O-N 2.97Å; S129-L283 WeakPolarHBondContact OG-CD2 3.39Å
130	A	97.6	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-74.9	-43	178	0	0	0	0	0	112.2	H77 H79 I80 Q126 I127 Y133 C134 I159	H77-A130 VanDerWaalsContact CE1-CA 3.46Å; H77-A130 WeakPolarHBondContact CE1-CA 3.16Å; H77-A130 PolarHBondContact CE1-N 2.78Å; H79-A130 HydrophobicContact CB-CB 4.13Å; I80-A130 HydrophobicContact CD1-CB 4.28Å; I80-A130 HydrophobicContact CG1-CB 3.79Å; Q126-A130 PolarHBondContact O-N 3.32Å; I127-A130 PolarHBondContact O-N 2.81Å; A130-Y133 WeakPolarHBondContact O-CB 3.41Å; A130-Y133 PolarHBondContact O-N 3.29Å; A130-C134 PolarHBondContact O-N 2.97Å; A130-C134 VanDerWaalsContact O-N 3.11Å; A130-C134 PolarHBondContact O-SG 2.98Å; A130-I159 HydrophobicContact CB-CD1 3.55Å; A130-I159 HydrophobicContact CB-CG1 4Å
131	V	97.9	Very high	96.8	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-43.2	178.1	176.3	0	0	0	0	110.9	I127 Y133 C134 H135 L144 I159 D200 M204	I127-V131 HydrophobicContact CG2-CG2 4.18Å; I127-V131 WeakPolarHBondContact O-CG2 3.49Å; I127-V131 PolarHBondContact O-N 2.81Å; V131-Y133 VanDerWaalsContact C-N 3.33Å; V131-Y133 PolarHBondContact O-N 2.83Å; V131-C134 WeakPolarHBondContact O-CB 3.17Å; V131-C134 PolarHBondContact O-N 2.69Å; V131-H135 WeakPolarHBondContact CG1-NE2 3.3Å; V131-H135 PolarHBondContact O-CD2 2.68Å; V131-H135 PolarHBondContact O-N 3.27Å; V131-L144 HydrophobicContact CG1-CD1 4.49Å; V131-L144 HydrophobicContact CG2-CD1 3.69Å; V131-L144 HydrophobicContact CG2-CD2 4.32Å; V131-I159 HydrophobicContact CG2-CD1 3.95Å; V131-D200 HydrophobicContact CG1-CB 4.1Å; V131-M204 HydrophobicContact CB-SD 3.88Å; V131-M204 HydrophobicContact CG1-SD 3.83Å; V131-M204 HydrophobicContact CG2-CG 4.44Å; V131-M204 HydrophobicContact CG2-SD 3.82Å
132	E	97.1	Very high	96.7	Very high	37 Å²	37	25.8 Å²	25.8	17%	0.173	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-42.7	172.3	-179.1	-178.2	-119.5	0	0	112.4	L128 C134 H135 N136 L263 K267	L128-E132 VanDerWaalsContact O-CB 3.27Å; L128-E132 WeakPolarHBondContact O-CB 3.42Å; L128-E132 PolarHBondContact O-N 2.59Å; E132-C134 PolarHBondContact O-N 3.45Å; E132-H135 PolarHBondContact O-N 2.84Å; E132-N136 WeakPolarHBondContact O-CB 3.32Å; E132-N136 VanDerWaalsContact O-CG 3.23Å; E132-N136 PolarHBondContact O-N 3.29Å; E132-L263 HydrophobicContact CB-CD1 3.8Å; E132-L263 HydrophobicContact CG-CD1 4.31Å; E132-K267 VanDerWaalsContact OE1-CE 3.29Å; E132-K267 WeakPolarHBondContact OE1-CE 3.4Å; E132-K267 IonicContact OE1-NZ 2.79Å; E132-K267 PolarHBondContact OE1-NZ 2.89Å; E132-K267 VanDerWaalsContact OE2-CE 3.32Å; E132-K267 WeakPolarHBondContact OE2-CE 3.44Å; E132-K267 IonicContact OE2-NZ 3.84Å; E132-K267 PolarHBondContact OE2-NZ 3.47Å
133	Y	97.5	Very high	96.6	Very high	19 Å²	19	20.1 Å²	20.1	8%	0.075	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-35.1	178.6	175	-81.4	0	0	0	112.4	L75 D76 H77 I80 S129 A130 V131 R137 Y284	L75-Y133 HydrophobicContact CB-CE1 4.36Å; L75-Y133 HydrophobicContact CD2-CD1 3.93Å; L75-Y133 HydrophobicContact CD2-CE1 3.62Å; D76-Y133 PolarHBondContact N-OH 3.41Å; D76-Y133 VanDerWaalsContact O-CZ 3.29Å; D76-Y133 PolarHBondContact O-OH 3.5Å; H77-Y133 HydrophobicContact CB-CD1 3.86Å; H77-Y133 HydrophobicContact CB-CD2 4.15Å; H77-Y133 HydrophobicContact CB-CE1 3.97Å; H77-Y133 HydrophobicContact CB-CE2 4.2Å; H77-Y133 HydrophobicContact CB-CG 3.96Å; H77-Y133 AromaticContact CD2-CD2 3.55Å; H77-Y133 AromaticContact CD2-CG 3.55Å; I80-Y133 HydrophobicContact CD1-CD1 3.97Å; I80-Y133 HydrophobicContact CD1-CE1 4.47Å; S129-Y133 VanDerWaalsContact O-CB 3.3Å; S129-Y133 WeakPolarHBondContact O-CB 3.29Å; S129-Y133 PolarHBondContact O-N 2.97Å; A130-Y133 WeakPolarHBondContact O-CB 3.41Å; A130-Y133 PolarHBondContact O-N 3.29Å; V131-Y133 VanDerWaalsContact C-N 3.33Å; V131-Y133 PolarHBondContact O-N 2.83Å; Y133-R137 VanDerWaalsContact CZ-CZ 3.44Å; Y133-R137 VanDerWaalsContact CZ-NE 3.35Å; Y133-R137 WeakPolarHBondContact O-CD 3.13Å; Y133-R137 PolarHBondContact O-NH1 2.93Å; Y133-R137 PolarHBondContact OH-NE 3.32Å; Y133-Y284 HydrophobicContact CD2-CD1 4.16Å; Y133-Y284 AromaticContact CE2-CD1 3.78Å; Y133-Y284 HydrophobicContact CE2-CD1 3.78Å; Y133-Y284 HydrophobicContact CE2-CE1 4.12Å
134	C	97.7	Very high	96.5	Very high	7 Å²	7	18.6 Å²	18.6	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-71.5	-47.7	171.7	-66.3	0	0	0	0	112.3	A130 V131 E132 N136 R137 N138 I139	A130-C134 PolarHBondContact O-N 2.97Å; A130-C134 VanDerWaalsContact O-N 3.11Å; A130-C134 PolarHBondContact O-SG 2.98Å; V131-C134 WeakPolarHBondContact O-CB 3.17Å; V131-C134 PolarHBondContact O-N 2.69Å; E132-C134 PolarHBondContact O-N 3.45Å; C134-N136 VanDerWaalsContact C-N 3.3Å; C134-N136 PolarHBondContact O-N 3.17Å; C134-R137 CarbonylContact O-C 3.56Å; C134-R137 WeakPolarHBondContact O-CA 3.49Å; C134-R137 WeakPolarHBondContact O-CB 3.34Å; C134-R137 PolarHBondContact O-N 2.98Å; C134-N138 PolarHBondContact O-N 2.87Å; C134-I139 CarbonylContact C-O 3.59Å; C134-I139 HydrophobicContact CB-CB 4.23Å; C134-I139 HydrophobicContact CB-CG2 4.21Å; C134-I139 WeakPolarHBondContact CB-O 3.49Å; C134-I139 PolarHBondContact O-N 3.28Å
135	H	96.3	Very high	96.3	Very high	19 Å²	19	19.9 Å²	19.9	9%	0.088	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-38.9	-178.2	-71.2	-168	0	0	0	111.5	V131 E132 R137 N138 I139 P197 D200 L263	V131-H135 WeakPolarHBondContact CG1-NE2 3.3Å; V131-H135 PolarHBondContact O-CD2 2.68Å; V131-H135 PolarHBondContact O-N 3.27Å; E132-H135 PolarHBondContact O-N 2.84Å; H135-R137 PolarHBondContact O-N 3.06Å; H135-R137 VanDerWaalsContact O-N 3.09Å; H135-N138 PolarHBondContact O-N 2.87Å; H135-I139 PolarHBondContact CD2-O 2.65Å; H135-I139 PolarHBondContact N-O 2.73Å; H135-P197 VanDerWaalsContact CE1-CA 3.5Å; H135-P197 WeakPolarHBondContact CE1-CA 3.23Å; H135-D200 IonicContact CD2-OD2 3.72Å; H135-D200 IonicContact CE1-OD2 2.72Å; H135-D200 IonicContact NE2-OD2 2.69Å; H135-D200 PolarHBondContact NE2-OD2 2.6Å; H135-L263 HydrophobicContact CB-CD1 4.37Å
136	N	95.7	Very high	96.2	Very high	107 Å²	107	18.5 Å²	18.5	57%	0.572	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	0.5	172.8	-67.1	-3.5	0	0	0	114.2	E132 C134	E132-N136 WeakPolarHBondContact O-CB 3.32Å; E132-N136 VanDerWaalsContact O-CG 3.23Å; E132-N136 PolarHBondContact O-N 3.29Å; C134-N136 VanDerWaalsContact C-N 3.3Å; C134-N136 PolarHBondContact O-N 3.17Å
137	R	95.5	Very high	95.9	Very high	50 Å²	50	19.3 Å²	19.3	19%	0.189	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	19.5	172.8	-75.5	164.8	-178.6	57.8	19.9	111.8	Y133 C134 H135 I139 Q286	Y133-R137 VanDerWaalsContact CZ-CZ 3.44Å; Y133-R137 VanDerWaalsContact CZ-NE 3.35Å; Y133-R137 WeakPolarHBondContact O-CD 3.13Å; Y133-R137 PolarHBondContact O-NH1 2.93Å; Y133-R137 PolarHBondContact OH-NE 3.32Å; C134-R137 CarbonylContact O-C 3.56Å; C134-R137 WeakPolarHBondContact O-CA 3.49Å; C134-R137 WeakPolarHBondContact O-CB 3.34Å; C134-R137 PolarHBondContact O-N 2.98Å; H135-R137 PolarHBondContact O-N 3.06Å; H135-R137 VanDerWaalsContact O-N 3.09Å; R137-I139 HydrophobicContact CB-CD1 4.01Å; R137-I139 PolarHBondContact O-N 2.84Å; R137-Q286 VanDerWaalsContact NH2-CD 3.3Å
138	N	96.3	Very high	95.7	Very high	72 Å²	72	19.8 Å²	19.8	39%	0.385	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	26.8	-176.9	-71.9	84	0	0	0	113.5	C134 H135 F167 F168	C134-N138 PolarHBondContact O-N 2.87Å; H135-N138 PolarHBondContact O-N 2.87Å; N138-F167 CarbonylContact O-C 3.28Å; N138-F167 WeakPolarHBondContact O-CA 3.14Å; N138-F168 VanDerWaalsContact CA-CE1 3.48Å; N138-F168 WeakPolarHBondContact CB-O 3.41Å; N138-F168 PolarHBondContact ND2-O 2.83Å; N138-F168 VanDerWaalsContact O-CD1 3.25Å; N138-F168 WeakPolarHBondContact O-CD1 3.42Å; N138-F168 PolarHBondContact O-N 3.22Å
139	I	96.8	Very high	95.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	-179.8	-67	156.9	0	0	0	110	I71 M74 L75 C134 H135 R137 N166 F167	I71-I139 HydrophobicContact CD1-CG2 4.36Å; I71-I139 HydrophobicContact CG1-CG1 4.39Å; I71-I139 HydrophobicContact CG2-CD1 4.26Å; I71-I139 HydrophobicContact CG2-CG2 3.89Å; M74-I139 HydrophobicContact CE-CD1 4.39Å; L75-I139 HydrophobicContact CD2-CD1 4.02Å; L75-I139 HydrophobicContact CG-CD1 4.47Å; C134-I139 CarbonylContact C-O 3.59Å; C134-I139 HydrophobicContact CB-CB 4.23Å; C134-I139 HydrophobicContact CB-CG2 4.21Å; C134-I139 WeakPolarHBondContact CB-O 3.49Å; C134-I139 PolarHBondContact O-N 3.28Å; H135-I139 PolarHBondContact CD2-O 2.65Å; H135-I139 PolarHBondContact N-O 2.73Å; R137-I139 HydrophobicContact CB-CD1 4.01Å; R137-I139 PolarHBondContact O-N 2.84Å; I139-N166 WeakPolarHBondContact CA-O 3.37Å; I139-F167 HydrophobicContact CD1-CE1 4.04Å; I139-F167 HydrophobicContact CG1-CD1 3.72Å; I139-F167 HydrophobicContact CG1-CE1 3.62Å
140	V	96.1	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143	171.1	-76.7	0	0	0	0	111	R142 A165 N166 F168 L174 P197 D200	V140-R142 HydrophobicContact CB-CG 4.17Å; V140-R142 HydrophobicContact CG2-CG 3.95Å; V140-A165 WeakPolarHBondContact O-CA 3.39Å; V140-A165 WeakPolarHBondContact O-CB 3.37Å; V140-N166 PolarHBondContact N-O 2.94Å; V140-N166 PolarHBondContact O-N 3.09Å; V140-N166 VanDerWaalsContact O-N 3.08Å; V140-F168 HydrophobicContact CB-CD1 4.33Å; V140-F168 HydrophobicContact CG1-CD1 3.5Å; V140-F168 HydrophobicContact CG1-CE1 3.78Å; V140-F168 HydrophobicContact CG1-CG 4.22Å; V140-F168 HydrophobicContact CG2-CB 4.36Å; V140-F168 HydrophobicContact CG2-CD1 4.19Å; V140-L174 HydrophobicContact CG2-CD1 4.08Å; V140-P197 HydrophobicContact CG1-CG 4.04Å; V140-D200 WeakPolarHBondContact CA-OD2 3.38Å
141	H	95.9	Very high	95.7	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.028	11%	0.105	C	C	.	.			trans	-86.2	-41.6	-172	-168.7	-77.2	0	0	0	112.6	D143 L144 I159 A160 F162 D200	H141-D143 PolarHBondContact CE1-O 3.09Å; H141-D143 VanDerWaalsContact ND1-C 3.34Å; H141-D143 PolarHBondContact ND1-O 3.09Å; H141-D143 PolarHBondContact O-N 2.91Å; H141-L144 HydrophobicContact CB-CD1 4.4Å; H141-L144 HydrophobicContact CB-CD2 4.02Å; H141-L144 HydrophobicContact CB-CG 3.88Å; H141-L144 PolarHBondContact ND1-N 2.83Å; H141-I159 WeakPolarHBondContact NE2-CG2 3.27Å; H141-A160 PolarHBondContact NE2-O 2.86Å; H141-F162 AromaticContact CD2-CD1 3.85Å; H141-F162 AromaticContact CD2-CE1 3.6Å; H141-F162 AromaticContact CD2-CZ 3.89Å; H141-D200 PolarHBondContact N-OD1 3.28Å; H141-D200 PolarHBondContact N-OD2 2.93Å
142	R	94.1	Very high	95.5	Very high	13 Å²	13	22.4 Å²	22.4	5%	0.049	11%	0.11	C	C	.	.	S	Bend	trans	62.1	-9.2	175	-50.6	-168.2	-60.9	174.2	-0.4	117.4	V140 F164 T176 C178 G179 Y194 L199 D200	V140-R142 HydrophobicContact CB-CG 4.17Å; V140-R142 HydrophobicContact CG2-CG 3.95Å; R142-F164 PolarHBondContact NE-O 3.27Å; R142-F164 PolarHBondContact NH2-O 2.83Å; R142-T176 VanDerWaalsContact NH1-CB 3.35Å; R142-T176 PolarHBondContact NH1-OG1 3.46Å; R142-C178 VanDerWaalsContact CZ-SG 3.52Å; R142-G179 VanDerWaalsContact O-CA 3.23Å; R142-G179 WeakPolarHBondContact O-CA 3.4Å; R142-Y194 PolarHBondContact NH1-OH 2.86Å; R142-L199 HydrophobicContact CG-CD1 4.48Å; R142-D200 PolarHBondContact N-OD1 2.64Å
143	D	93.1	Very high	95.2	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	13%	0.125	C	C	.	.			trans	-132	50.5	171.5	-168.1	41.1	0	0	0	112.2	H141 K145 N148 F164 S180	H141-D143 PolarHBondContact CE1-O 3.09Å; H141-D143 VanDerWaalsContact ND1-C 3.34Å; H141-D143 PolarHBondContact ND1-O 3.09Å; H141-D143 PolarHBondContact O-N 2.91Å; D143-K145 PolarHBondContact O-N 2.74Å; D143-K145 IonicContact OD1-NZ 2.76Å; D143-K145 PolarHBondContact OD1-NZ 2.76Å; D143-K145 IonicContact OD2-NZ 2.67Å; D143-K145 PolarHBondContact OD2-NZ 3.15Å; D143-N148 PolarHBondContact O-ND2 3.34Å; D143-N148 PolarHBondContact OD2-ND2 3.39Å; D143-F164 HydrophobicContact CB-CB 3.96Å; D143-F164 HydrophobicContact CB-CD2 3.6Å; D143-F164 HydrophobicContact CB-CE2 4.45Å; D143-F164 HydrophobicContact CB-CG 4.06Å; D143-S180 WeakPolarHBondContact OD1-CB 3.11Å; D143-S180 PolarHBondContact OD1-N 2.9Å; D143-S180 PolarHBondContact OD1-OG 2.82Å
144	L	96.1	Very high	94.9	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.156	C	C	.	.			trans	-76.5	115.8	175.2	-72.7	173.8	0	0	0	110.7	V131 H141 I159 D200 M204	V131-L144 HydrophobicContact CG1-CD1 4.49Å; V131-L144 HydrophobicContact CG2-CD1 3.69Å; V131-L144 HydrophobicContact CG2-CD2 4.32Å; H141-L144 HydrophobicContact CB-CD1 4.4Å; H141-L144 HydrophobicContact CB-CD2 4.02Å; H141-L144 HydrophobicContact CB-CG 3.88Å; H141-L144 PolarHBondContact ND1-N 2.83Å; L144-I159 HydrophobicContact CD2-CD1 4.19Å; L144-I159 HydrophobicContact CD2-CG2 4.06Å; L144-D200 HydrophobicContact CD1-CB 3.74Å; L144-M204 HydrophobicContact CD1-CG 4.02Å
145	K	93.9	Very high	94.7	Very high	27 Å²	27	31.9 Å²	31.9	12%	0.117	17%	0.167	C	C	.	.			trans	-151.7	160.5	-177.7	63.8	-168	-172	-142.8	0	111.6	D143 E147 N148 L149 S180 Y183	D143-K145 PolarHBondContact O-N 2.74Å; D143-K145 IonicContact OD1-NZ 2.76Å; D143-K145 PolarHBondContact OD1-NZ 2.76Å; D143-K145 IonicContact OD2-NZ 2.67Å; D143-K145 PolarHBondContact OD2-NZ 3.15Å; K145-E147 HydrophobicContact CD-CB 4.32Å; K145-E147 HydrophobicContact CG-CB 4.1Å; K145-E147 PolarHBondContact O-N 2.84Å; K145-E147 VanDerWaalsContact O-N 3.13Å; K145-N148 WeakPolarHBondContact CE-ND2 3.49Å; K145-N148 VanDerWaalsContact CE-OD1 3.27Å; K145-N148 WeakPolarHBondContact CE-OD1 3.23Å; K145-N148 HydrophobicContact CG-CB 3.89Å; K145-N148 PolarHBondContact O-N 2.76Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 2.85Å; K145-S180 VanDerWaalsContact CD-OG 3.23Å; K145-S180 WeakPolarHBondContact CD-OG 3.35Å; K145-S180 PolarHBondContact NZ-OG 2.87Å; K145-Y183 HydrophobicContact CB-CD1 3.98Å; K145-Y183 HydrophobicContact CB-CD2 3.56Å; K145-Y183 HydrophobicContact CB-CE1 3.83Å; K145-Y183 HydrophobicContact CB-CE2 3.36Å; K145-Y183 HydrophobicContact CB-CG 3.84Å; K145-Y183 VanDerWaalsContact CB-CZ 3.48Å
146	A	92.4	Very high	94.7	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.5	-179	0	0	0	0	0	113.5	I105 F106 Y183 V210	I105-A146 HydrophobicContact CG2-CB 4.14Å; I105-A146 WeakPolarHBondContact CG2-O 3.47Å; F106-A146 HydrophobicContact CB-CB 3.89Å; F106-A146 HydrophobicContact CD2-CB 4.23Å; F106-A146 PolarHBondContact N-O 2.93Å; A146-Y183 WeakPolarHBondContact CB-OH 3.36Å; A146-Y183 PolarHBondContact N-OH 3.35Å; A146-Y183 VanDerWaalsContact N-OH 3.1Å; A146-V210 HydrophobicContact CB-CG1 4.21Å
147	E	91.3	Very high	94.8	Very high	31 Å²	31	27.9 Å²	27.9	15%	0.145	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-25.6	173.7	-51.9	92.6	104.8	0	0	112.9	E104 F106 K145 Y183	E104-E147 WeakPolarHBondContact CG-O 3.49Å; F106-E147 HydrophobicContact CB-CG 4.09Å; F106-E147 HydrophobicContact CD1-CG 4.33Å; F106-E147 HydrophobicContact CD2-CG 3.7Å; F106-E147 HydrophobicContact CE2-CG 4.1Å; F106-E147 HydrophobicContact CG-CG 3.82Å; K145-E147 HydrophobicContact CD-CB 4.32Å; K145-E147 HydrophobicContact CG-CB 4.1Å; K145-E147 PolarHBondContact O-N 2.84Å; K145-E147 VanDerWaalsContact O-N 3.13Å; E147-Y183 PolarHBondContact OE2-OH 3.4Å
148	N	95.1	Very high	94.9	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.07	14%	0.141	C	C	.	.	S	Bend	trans	-95.3	5	176.7	-72.2	-1.6	0	0	0	112.5	D143 K145 A160	D143-N148 PolarHBondContact O-ND2 3.34Å; D143-N148 PolarHBondContact OD2-ND2 3.39Å; K145-N148 WeakPolarHBondContact CE-ND2 3.49Å; K145-N148 VanDerWaalsContact CE-OD1 3.27Å; K145-N148 WeakPolarHBondContact CE-OD1 3.23Å; K145-N148 HydrophobicContact CG-CB 3.89Å; K145-N148 PolarHBondContact O-N 2.76Å; N148-A160 WeakPolarHBondContact CB-O 3.41Å; N148-A160 PolarHBondContact O-N 2.9Å
149	L	97.5	Very high	95	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	100	177.6	-67.1	176.4	0	0	0	109.3	I105 I127 K145 I157 I159 V207	I105-L149 HydrophobicContact CG2-CB 3.66Å; I105-L149 WeakPolarHBondContact CG2-O 3.43Å; I105-L149 PolarHBondContact N-O 2.97Å; I127-L149 HydrophobicContact CD1-CD1 3.76Å; I127-L149 HydrophobicContact CG1-CD1 4.24Å; I127-L149 HydrophobicContact CG1-CD2 4.16Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 2.85Å; L149-I157 HydrophobicContact CD2-CG2 3.99Å; L149-I159 HydrophobicContact CD2-CB 4.39Å; L149-I159 HydrophobicContact CD2-CD1 4.18Å; L149-I159 HydrophobicContact CD2-CG1 3.69Å; L149-V207 HydrophobicContact CD1-CG1 3.57Å; L149-V207 HydrophobicContact CD1-CG2 4.22Å
150	L	97.3	Very high	95	Very high	36 Å²	36	23.5 Å²	23.5	19%	0.188	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	165.4	-177.2	-48.8	-175.9	0	0	0	112	I81 A100 G103 E104 I157 K158 A160	I81-L150 HydrophobicContact CD1-CD1 4.16Å; I81-L150 HydrophobicContact CG1-CD1 4.22Å; A100-L150 HydrophobicContact CB-CB 3.45Å; A100-L150 VanDerWaalsContact CB-CB 3.45Å; A100-L150 HydrophobicContact CB-CD1 3.96Å; A100-L150 HydrophobicContact CB-CG 4.36Å; G103-L150 CarbonylContact O-C 3.44Å; G103-L150 VanDerWaalsContact O-CA 3.26Å; G103-L150 WeakPolarHBondContact O-CA 3.43Å; E104-L150 HydrophobicContact CB-CD2 4.2Å; E104-L150 HydrophobicContact CG-CD2 3.49Å; E104-L150 VanDerWaalsContact CG-CD2 3.49Å; L150-I157 CarbonylContact O-C 3.54Å; L150-I157 WeakPolarHBondContact O-CA 3.41Å; L150-K158 HydrophobicContact CB-CB 4.24Å; L150-K158 PolarHBondContact N-O 3.29Å; L150-K158 PolarHBondContact O-N 2.9Å; L150-A160 HydrophobicContact CD1-CB 3.71Å; L150-A160 HydrophobicContact CG-CB 3.89Å
151	L	97.1	Very high	94.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.8	-178	-67.7	169.1	0	0	0	111.3	A100 K101 N102 G103 I105 Y108 M155 N156 I157	A100-L151 CarbonylContact C-O 3.55Å; A100-L151 VanDerWaalsContact C-O 3.28Å; A100-L151 WeakPolarHBondContact CB-O 3.28Å; K101-L151 PolarHBondContact N-O 3.17Å; N102-L151 HydrophobicContact CB-CB 3.7Å; N102-L151 PolarHBondContact N-O 2.62Å; G103-L151 PolarHBondContact O-N 3.12Å; I105-L151 HydrophobicContact CB-CD1 4.19Å; I105-L151 HydrophobicContact CB-CG 4.25Å; I105-L151 HydrophobicContact CD1-CD2 4.24Å; I105-L151 HydrophobicContact CG1-CD1 4.24Å; I105-L151 HydrophobicContact CG1-CD2 4.49Å; Y108-L151 HydrophobicContact CD2-CD1 4.33Å; Y108-L151 HydrophobicContact CG-CD1 4.1Å; L151-M155 HydrophobicContact CD1-CE 3.84Å; L151-M155 HydrophobicContact CD1-SD 4.48Å; L151-M155 WeakPolarHBondContact CD2-O 3.38Å; L151-N156 WeakPolarHBondContact CA-O 3.49Å; L151-I157 HydrophobicContact CD2-CD1 4.3Å
152	D	93.6	Very high	94.6	Very high	22 Å²	22	26.3 Å²	26.3	12%	0.118	14%	0.143	C	C	.	.			trans	-69.8	178.5	174.7	82.8	-1	0	0	0	112.5	N102 H154 M155 N156 K158	N102-D152 PolarHBondContact ND2-O 3.38Å; D152-H154 PolarHBondContact O-N 3.36Å; D152-H154 VanDerWaalsContact O-N 3.12Å; D152-H154 VanDerWaalsContact OD1-CA 3.24Å; D152-H154 WeakPolarHBondContact OD1-CA 3.33Å; D152-H154 WeakPolarHBondContact OD1-CB 3.46Å; D152-H154 PolarHBondContact OD1-N 3.18Å; D152-M155 PolarHBondContact O-N 3.08Å; D152-M155 PolarHBondContact OD1-N 3.41Å; D152-N156 PolarHBondContact N-O 3.01Å; D152-N156 PolarHBondContact OD1-N 2.86Å; D152-N156 PolarHBondContact OD1-ND2 3Å; D152-N156 WeakPolarHBondContact OD2-CB 3.43Å; D152-N156 PolarHBondContact OD2-ND2 3.34Å; D152-K158 HydrophobicContact CB-CG 4.15Å
153	G	90.3	Very high	94.3	Very high	48 Å²	48	26.5 Å²	26.5	50%	0.495	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.9	178.4	0	0	0	0	0	115.4
154	H	91.3	Very high	94.1	Very high	156 Å²	156	29 Å²	29	72%	0.722	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	14.8	175.9	-56.5	-72.6	0	0	0	112.1	D152 N156	D152-H154 PolarHBondContact O-N 3.36Å; D152-H154 VanDerWaalsContact O-N 3.12Å; D152-H154 VanDerWaalsContact OD1-CA 3.24Å; D152-H154 WeakPolarHBondContact OD1-CA 3.33Å; D152-H154 WeakPolarHBondContact OD1-CB 3.46Å; D152-H154 PolarHBondContact OD1-N 3.18Å; H154-N156 VanDerWaalsContact C-N 3.27Å; H154-N156 PolarHBondContact O-N 3.44Å
155	M	94.4	Very high	94	Very high	58 Å²	58	28.9 Å²	28.9	29%	0.286	16%	0.159	S	C	.	.	S	Bend	trans	64	18.2	-177.2	-58.9	-67.9	-69.8	0	0	115	N102 Y108 K123 L151 D152	N102-M155 HydrophobicContact CB-SD 3.85Å; N102-M155 PolarHBondContact ND2-SD 2.77Å; Y108-M155 HydrophobicContact CD2-CE 3.56Å; Y108-M155 HydrophobicContact CE2-CE 3.31Å; Y108-M155 HydrophobicContact CG-CE 4.33Å; K123-M155 WeakPolarHBondContact CE-O 3.36Å; K123-M155 PolarHBondContact NZ-O 3.23Å; L151-M155 HydrophobicContact CD1-CE 3.84Å; L151-M155 HydrophobicContact CD1-SD 4.48Å; L151-M155 WeakPolarHBondContact CD2-O 3.38Å; D152-M155 PolarHBondContact O-N 3.08Å; D152-M155 PolarHBondContact OD1-N 3.41Å
156	N	96	Very high	94	Very high	42 Å²	42	29 Å²	29	23%	0.225	16%	0.161	C	C	.	.			trans	-76.7	152.3	173.5	-56	-59.4	0	0	0	111.8	Q126 L151 D152 H154	Q126-N156 PolarHBondContact NE2-OD1 3.12Å; L151-N156 WeakPolarHBondContact CA-O 3.49Å; D152-N156 PolarHBondContact N-O 3.01Å; D152-N156 PolarHBondContact OD1-N 2.86Å; D152-N156 PolarHBondContact OD1-ND2 3Å; D152-N156 WeakPolarHBondContact OD2-CB 3.43Å; D152-N156 PolarHBondContact OD2-ND2 3.34Å; H154-N156 VanDerWaalsContact C-N 3.27Å; H154-N156 PolarHBondContact O-N 3.44Å
157	I	97.8	Very high	94.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.8	172.5	-63.1	-63.5	0	0	0	111.2	H79 I105 K123 Q126 I127 L149 L150 L151 I159	H79-I157 WeakPolarHBondContact CA-O 3.26Å; H79-I157 WeakPolarHBondContact CB-O 3.4Å; H79-I157 PolarHBondContact ND1-O 2.8Å; I105-I157 HydrophobicContact CD1-CD1 3.78Å; K123-I157 HydrophobicContact CB-CD1 4.05Å; K123-I157 HydrophobicContact CB-CG1 3.84Å; K123-I157 HydrophobicContact CD-CD1 4.09Å; K123-I157 HydrophobicContact CD-CG1 3.91Å; K123-I157 HydrophobicContact CG-CD1 4.33Å; K123-I157 HydrophobicContact CG-CG1 4.34Å; Q126-I157 HydrophobicContact CB-CB 3.91Å; Q126-I157 HydrophobicContact CB-CG1 4.16Å; I127-I157 HydrophobicContact CG1-CG1 4.13Å; I127-I157 HydrophobicContact CG1-CG2 3.87Å; L149-I157 HydrophobicContact CD2-CG2 3.99Å; L150-I157 CarbonylContact O-C 3.54Å; L150-I157 WeakPolarHBondContact O-CA 3.41Å; L151-I157 HydrophobicContact CD2-CD1 4.3Å; I157-I159 HydrophobicContact CG2-CG1 4.23Å
158	K	97.9	Very high	94.2	Very high	15 Å²	15	31.1 Å²	31.1	7%	0.065	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	108.6	166.5	-69.3	-69.4	-172.7	162.7	0	109.2	P78 H79 I81 E98 L150 D152	P78-K158 WeakPolarHBondContact O-CD 3.45Å; P78-K158 WeakPolarHBondContact O-CE 3.17Å; P78-K158 PolarHBondContact O-NZ 3.02Å; H79-K158 CarbonylContact O-C 3.57Å; H79-K158 WeakPolarHBondContact O-CA 3.31Å; I81-K158 HydrophobicContact CD1-CB 3.65Å; I81-K158 HydrophobicContact CD1-CD 4.47Å; I81-K158 HydrophobicContact CD1-CG 4.15Å; I81-K158 HydrophobicContact CG1-CB 3.99Å; E98-K158 VanDerWaalsContact CD-CE 3.46Å; E98-K158 WeakPolarHBondContact OE1-CE 3.21Å; E98-K158 IonicContact OE1-NZ 3.84Å; E98-K158 PolarHBondContact OE1-NZ 2.86Å; E98-K158 VanDerWaalsContact OE2-CE 3.27Å; E98-K158 WeakPolarHBondContact OE2-CE 3.5Å; E98-K158 IonicContact OE2-NZ 2.72Å; E98-K158 PolarHBondContact OE2-NZ 2.78Å; L150-K158 HydrophobicContact CB-CB 4.24Å; L150-K158 PolarHBondContact N-O 3.29Å; L150-K158 PolarHBondContact O-N 2.9Å; D152-K158 HydrophobicContact CB-CG 4.15Å
159	I	98.3	Very high	93.9	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.4	174.9	-51.7	-163.7	0	0	0	109.6	H79 I81 I127 A130 V131 H141 L144 L149 I157 F162	H79-I159 PolarHBondContact O-N 2.92Å; I81-I159 PolarHBondContact N-O 2.93Å; I127-I159 HydrophobicContact CG2-CD1 4.44Å; A130-I159 HydrophobicContact CB-CD1 3.55Å; A130-I159 HydrophobicContact CB-CG1 4Å; V131-I159 HydrophobicContact CG2-CD1 3.95Å; H141-I159 WeakPolarHBondContact NE2-CG2 3.27Å; L144-I159 HydrophobicContact CD2-CD1 4.19Å; L144-I159 HydrophobicContact CD2-CG2 4.06Å; L149-I159 HydrophobicContact CD2-CB 4.39Å; L149-I159 HydrophobicContact CD2-CD1 4.18Å; L149-I159 HydrophobicContact CD2-CG1 3.69Å; I157-I159 HydrophobicContact CG2-CG1 4.23Å; I159-F162 HydrophobicContact CG2-CE2 4.48Å; I159-F162 HydrophobicContact CG2-CZ 4.27Å
160	A	95.4	Very high	93.5	Very high	13 Å²	13	40.5 Å²	40.5	11%	0.107	22%	0.222	C	C	.	.			trans	-137.2	166.9	-174.3	0	0	0	0	0	112.8	I81 H141 N148 L150	I81-A160 HydrophobicContact CB-CB 4.5Å; I81-A160 HydrophobicContact CG1-CB 3.8Å; H141-A160 PolarHBondContact NE2-O 2.86Å; N148-A160 WeakPolarHBondContact CB-O 3.41Å; N148-A160 PolarHBondContact O-N 2.9Å; L150-A160 HydrophobicContact CD1-CB 3.71Å; L150-A160 HydrophobicContact CG-CB 3.89Å
161	D	89.8	Confident	92.8	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.332	24%	0.243	S	C	.	.			trans	62.2	72.5	176.1	-155.3	31.3	0	0	0	115.5	K50 G163	K50-D161 IonicContact NZ-OD1 3.91Å; K50-D161 PolarHBondContact NZ-OD1 3.22Å; D161-G163 PolarHBondContact O-N 3.12Å; D161-G163 VanDerWaalsContact O-N 3.14Å
162	F	93.6	Very high	92.4	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-78.5	16.1	177.7	-71.6	-100.2	0	0	0	113.3	E68 I71 M72 L75 I80 H141 I159 F164 A165	E68-F162 HydrophobicContact CG-CB 4.05Å; I71-F162 HydrophobicContact CG2-CB 4.28Å; I71-F162 HydrophobicContact CG2-CD1 3.75Å; I71-F162 HydrophobicContact CG2-CE1 4.48Å; I71-F162 HydrophobicContact CG2-CG 4.23Å; M72-F162 HydrophobicContact CG-CB 4.4Å; M72-F162 HydrophobicContact CG-CD2 4.4Å; L75-F162 HydrophobicContact CD1-CD1 3.9Å; L75-F162 HydrophobicContact CD1-CE1 3.38Å; L75-F162 HydrophobicContact CD1-CE2 4.29Å; L75-F162 HydrophobicContact CD1-CZ 3.63Å; I80-F162 HydrophobicContact CD1-CZ 4.44Å; I80-F162 HydrophobicContact CG2-CE2 3.72Å; I80-F162 HydrophobicContact CG2-CZ 3.72Å; H141-F162 AromaticContact CD2-CD1 3.85Å; H141-F162 AromaticContact CD2-CE1 3.6Å; H141-F162 AromaticContact CD2-CZ 3.89Å; I159-F162 HydrophobicContact CG2-CE2 4.48Å; I159-F162 HydrophobicContact CG2-CZ 4.27Å; F162-F164 PolarHBondContact O-N 2.9Å; F162-F164 VanDerWaalsContact O-N 3.16Å; F162-A165 HydrophobicContact CB-CB 3.94Å; F162-A165 HydrophobicContact CD1-CB 3.89Å; F162-A165 HydrophobicContact CG-CB 4.41Å; F162-A165 WeakPolarHBondContact O-CB 3.19Å; F162-A165 PolarHBondContact O-N 2.84Å
163	G	88.4	Confident	92.1	Very high	16 Å²	16	48.9 Å²	48.9	17%	0.165	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-62.4	-21.1	-177.4	0	0	0	0	0	115.2	E68 D161	E68-G163 WeakPolarHBondContact OE2-CA 3.36Å; D161-G163 PolarHBondContact O-N 3.12Å; D161-G163 VanDerWaalsContact O-N 3.14Å
164	F	88.6	Confident	91.9	Very high	56 Å²	56	47.8 Å²	47.8	25%	0.246	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-98.7	-6.9	171.4	-67.8	-75.1	0	0	0	114	R142 D143 F162 C178 L617	R142-F164 PolarHBondContact NE-O 3.27Å; R142-F164 PolarHBondContact NH2-O 2.83Å; D143-F164 HydrophobicContact CB-CB 3.96Å; D143-F164 HydrophobicContact CB-CD2 3.6Å; D143-F164 HydrophobicContact CB-CE2 4.45Å; D143-F164 HydrophobicContact CB-CG 4.06Å; F162-F164 PolarHBondContact O-N 2.9Å; F162-F164 VanDerWaalsContact O-N 3.16Å; F164-C178 HydrophobicContact CD1-CB 4Å; F164-L617 HydrophobicContact CE1-CD2 3.66Å; F164-L617 HydrophobicContact CZ-CD2 3.54Å; F164-L617 HydrophobicContact CZ-CG 4.21Å
165	A	93.6	Very high	91.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	25%	0.253	C	S	.	.			trans	-64.7	155.1	-175.9	0	0	0	0	0	111.7	R67 I71 V140 F162	R67-A165 PolarHBondContact NE-O 3.44Å; R67-A165 PolarHBondContact NH2-O 2.97Å; I71-A165 HydrophobicContact CD1-CB 3.73Å; I71-A165 HydrophobicContact CG2-CB 4.46Å; V140-A165 WeakPolarHBondContact O-CA 3.39Å; V140-A165 WeakPolarHBondContact O-CB 3.37Å; F162-A165 HydrophobicContact CB-CB 3.94Å; F162-A165 HydrophobicContact CD1-CB 3.89Å; F162-A165 HydrophobicContact CG-CB 4.41Å; F162-A165 WeakPolarHBondContact O-CB 3.19Å; F162-A165 PolarHBondContact O-N 2.84Å
166	N	93.8	Very high	90.8	Very high	29 Å²	29	43.6 Å²	43.6	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.4	176.4	-158.8	29.1	0	0	0	111.1	R67 I139 V140 L174	R67-N166 WeakPolarHBondContact CD-OD1 3.37Å; R67-N166 PolarHBondContact NE-OD1 2.92Å; I139-N166 WeakPolarHBondContact CA-O 3.37Å; V140-N166 PolarHBondContact N-O 2.94Å; V140-N166 PolarHBondContact O-N 3.09Å; V140-N166 VanDerWaalsContact O-N 3.08Å; N166-L174 VanDerWaalsContact ND2-CD2 3.28Å; N166-L174 WeakPolarHBondContact ND2-CD2 3.38Å
167	F	94.3	Very high	90	Very high	56 Å²	56	44.1 Å²	44.1	25%	0.246	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	153	161.2	-57.5	-72.3	0	0	0	110.3	R67 Q70 I71 M74 N138 I139	R67-F167 HydrophobicContact CG-CD2 4.45Å; R67-F167 HydrophobicContact CG-CE2 4.09Å; Q70-F167 HydrophobicContact CG-CE2 4.49Å; Q70-F167 HydrophobicContact CG-CZ 4.22Å; I71-F167 HydrophobicContact CD1-CE2 4.46Å; I71-F167 HydrophobicContact CD1-CZ 4.41Å; I71-F167 HydrophobicContact CG1-CE1 4.02Å; I71-F167 HydrophobicContact CG1-CE2 4.05Å; I71-F167 HydrophobicContact CG1-CZ 3.61Å; M74-F167 HydrophobicContact CE-CE1 3.95Å; M74-F167 HydrophobicContact SD-CE1 3.82Å; M74-F167 HydrophobicContact SD-CZ 3.81Å; N138-F167 CarbonylContact O-C 3.28Å; N138-F167 WeakPolarHBondContact O-CA 3.14Å; I139-F167 HydrophobicContact CD1-CE1 4.04Å; I139-F167 HydrophobicContact CG1-CD1 3.72Å; I139-F167 HydrophobicContact CG1-CE1 3.62Å
168	F	93.4	Very high	89.1	Confident	21 Å²	21	44.6 Å²	44.6	9%	0.092	26%	0.261	C	S	.	.			trans	-137.5	146	171.1	77.1	-83.9	0	0	0	110.3	N138 V140 L174 E195 P197	N138-F168 VanDerWaalsContact CA-CE1 3.48Å; N138-F168 WeakPolarHBondContact CB-O 3.41Å; N138-F168 PolarHBondContact ND2-O 2.83Å; N138-F168 VanDerWaalsContact O-CD1 3.25Å; N138-F168 WeakPolarHBondContact O-CD1 3.42Å; N138-F168 PolarHBondContact O-N 3.22Å; V140-F168 HydrophobicContact CB-CD1 4.33Å; V140-F168 HydrophobicContact CG1-CD1 3.5Å; V140-F168 HydrophobicContact CG1-CE1 3.78Å; V140-F168 HydrophobicContact CG1-CG 4.22Å; V140-F168 HydrophobicContact CG2-CB 4.36Å; V140-F168 HydrophobicContact CG2-CD1 4.19Å; F168-L174 HydrophobicContact CB-CD1 4.24Å; F168-E195 WeakPolarHBondContact CB-O 3.2Å; F168-P197 HydrophobicContact CD1-CG 4.46Å; F168-P197 HydrophobicContact CD2-CG 4.06Å; F168-P197 HydrophobicContact CE1-CG 3.96Å; F168-P197 HydrophobicContact CE2-CG 3.54Å; F168-P197 HydrophobicContact CZ-CG 3.49Å; F168-P197 VanDerWaalsContact CZ-CG 3.49Å
169	Q	90.4	Very high	88.2	Confident	110 Å²	110	44.4 Å²	44.4	51%	0.514	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-115.3	134.4	170.2	-53.9	-165.1	83.9	0	0	108.4	G171 E172	Q169-G171 PolarHBondContact O-N 3.43Å; Q169-E172 HydrophobicContact CB-CB 4.06Å; Q169-E172 HydrophobicContact CB-CG 4.01Å; Q169-E172 WeakPolarHBondContact CG-OE2 3.43Å; Q169-E172 PolarHBondContact NE2-OE1 3.02Å; Q169-E172 PolarHBondContact NE2-OE2 2.75Å; Q169-E172 PolarHBondContact O-N 3.14Å
170	P	87.3	Confident	87.7	Confident	101 Å²	101	45.3 Å²	45.3	66%	0.656	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.5	175.6	-25.7	35	0	0	0	111	E172	P170-E172 VanDerWaalsContact C-N 3.32Å; P170-E172 PolarHBondContact O-N 3.4Å
171	G	84.6	Confident	87.4	Confident	61 Å²	61	45.8 Å²	45.8	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-8.9	-173	0	0	0	0	0	116.7	Q169 P173 E195	Q169-G171 PolarHBondContact O-N 3.43Å; G171-P173 WeakPolarHBondContact O-CD 3.46Å; G171-E195 PolarHBondContact N-OE1 3.1Å
172	E	88.7	Confident	87.5	Confident	111 Å²	111	44 Å²	44	52%	0.519	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-98.5	107.2	169.4	-69	-169	163.6	0	0	110.9	Q169 P170	Q169-E172 HydrophobicContact CB-CB 4.06Å; Q169-E172 HydrophobicContact CB-CG 4.01Å; Q169-E172 WeakPolarHBondContact CG-OE2 3.43Å; Q169-E172 PolarHBondContact NE2-OE1 3.02Å; Q169-E172 PolarHBondContact NE2-OE2 2.75Å; Q169-E172 PolarHBondContact O-N 3.14Å; P170-E172 VanDerWaalsContact C-N 3.32Å; P170-E172 PolarHBondContact O-N 3.4Å
173	P	85.9	Confident	87.5	Confident	65 Å²	65	44.2 Å²	44.2	42%	0.422	26%	0.264	S	S	.	.			trans	-75.9	135.2	-177.3	27.3	-32.7	0	0	0	113.3	G171 Q193	G171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-Q193 HydrophobicContact CB-CB 3.64Å; P173-Q193 HydrophobicContact CB-CG 3.88Å; P173-Q193 HydrophobicContact CG-CB 4.33Å; P173-Q193 HydrophobicContact CG-CG 4.24Å
174	L	86.3	Confident	87.8	Confident	24 Å²	24	43.7 Å²	43.7	13%	0.126	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-83.7	143.8	164.6	-61.3	176	0	0	0	110.1	V140 N166 F168 Q193 Y194	V140-L174 HydrophobicContact CG2-CD1 4.08Å; N166-L174 VanDerWaalsContact ND2-CD2 3.28Å; N166-L174 WeakPolarHBondContact ND2-CD2 3.38Å; F168-L174 HydrophobicContact CB-CD1 4.24Å; L174-Q193 WeakPolarHBondContact O-CA 3.43Å; L174-Y194 HydrophobicContact CB-CD2 3.81Å; L174-Y194 HydrophobicContact CB-CE2 3.33Å; L174-Y194 HydrophobicContact CD1-CD2 4.5Å; L174-Y194 HydrophobicContact CD1-CE2 3.87Å; L174-Y194 HydrophobicContact CG-CE2 4.22Å; L174-Y194 PolarHBondContact N-O 3.32Å; L174-Y194 WeakPolarHBondContact O-CD1 3.31Å; L174-Y194 PolarHBondContact O-N 2.13Å
175	A	80.8	Confident	88	Confident	59 Å²	59	41.1 Å²	41.1	49%	0.488	25%	0.248	S	C	.	.			trans	-124.7	11	178.9	0	0	0	0	0	113.5	W177 Q193	A175-W177 PolarHBondContact O-N 3.16Å; A175-Q193 HydrophobicContact CB-CG 4.17Å
176	T	82.1	Confident	88.1	Confident	68 Å²	68	41.2 Å²	41.2	42%	0.417	25%	0.248	S	C	.	.			trans	-74.5	122	-176.5	-32	0	0	0	0	111.3	R142 C178 Y194	R142-T176 VanDerWaalsContact NH1-CB 3.35Å; R142-T176 PolarHBondContact NH1-OG1 3.46Å; T176-C178 HydrophobicContact CG2-CB 4.38Å; T176-C178 PolarHBondContact O-N 2.82Å; T176-C178 VanDerWaalsContact O-N 3.16Å; T176-C178 PolarHBondContact O-SG 2.84Å; T176-Y194 PolarHBondContact O-OH 3.05Å
177	W	78.4	Confident	88.1	Confident	53 Å²	53	40 Å²	40	20%	0.201	24%	0.242	C	C	.	.			trans	-70.4	106.1	166.9	-68.6	67.4	0	0	0	109.1	A175 V188 F189 L619 V622	A175-W177 PolarHBondContact O-N 3.16Å; W177-V188 WeakPolarHBondContact CZ3-O 3.49Å; W177-F189 VanDerWaalsContact CH2-O 3.25Å; W177-F189 WeakPolarHBondContact CH2-O 3.32Å; W177-L619 HydrophobicContact CB-CB 4Å; W177-L619 HydrophobicContact CE3-CB 4.36Å; W177-V622 HydrophobicContact CE3-CB 4.35Å; W177-V622 HydrophobicContact CE3-CG1 4.41Å; W177-V622 HydrophobicContact CH2-CG1 4.21Å; W177-V622 HydrophobicContact CZ3-CB 4.01Å; W177-V622 HydrophobicContact CZ3-CG1 3.59Å
178	C	79	Confident	87.9	Confident	10 Å²	10	37.6 Å²	37.6	7%	0.068	23%	0.231	C	C	.	.			trans	-153.1	168.4	-173.2	59.5	0	0	0	0	112.6	R142 F164 T176 L619	R142-C178 VanDerWaalsContact CZ-SG 3.52Å; F164-C178 HydrophobicContact CD1-CB 4Å; T176-C178 HydrophobicContact CG2-CB 4.38Å; T176-C178 PolarHBondContact O-N 2.82Å; T176-C178 VanDerWaalsContact O-N 3.16Å; T176-C178 PolarHBondContact O-SG 2.84Å; C178-L619 VanDerWaalsContact O-CD1 3.31Å; C178-L619 WeakPolarHBondContact O-CD1 3.48Å
179	G	79.9	Confident	87.6	Confident	11 Å²	11	36.6 Å²	36.6	11%	0.113	23%	0.227	C	C	.	.	S	Bend	trans	89.9	165	-173.7	0	0	0	0	0	114	R142	R142-G179 VanDerWaalsContact O-CA 3.23Å; R142-G179 WeakPolarHBondContact O-CA 3.4Å
180	S	86.6	Confident	87.5	Confident	21 Å²	21	36 Å²	36	15%	0.147	22%	0.224	C	C	.	.			trans	-82	125.1	-178.4	-58.5	0	0	0	0	111.1	D143 K145 P182 Y183 A184	D143-S180 WeakPolarHBondContact OD1-CB 3.11Å; D143-S180 PolarHBondContact OD1-N 2.9Å; D143-S180 PolarHBondContact OD1-OG 2.82Å; K145-S180 VanDerWaalsContact CD-OG 3.23Å; K145-S180 WeakPolarHBondContact CD-OG 3.35Å; K145-S180 PolarHBondContact NZ-OG 2.87Å; S180-P182 VanDerWaalsContact C-CD 3.46Å; S180-P182 VanDerWaalsContact O-N 3.09Å; S180-Y183 PolarHBondContact O-N 2.7Å; S180-A184 PolarHBondContact O-N 2.96Å; S180-A184 VanDerWaalsContact O-N 3.17Å
181	P	89.6	Confident	87.4	Confident	24 Å²	24	32.8 Å²	32.8	16%	0.156	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-36.7	-165.9	-30.3	34.6	0	0	0	118.3	Y183 A184 F189 L223 L226 L619	P181-Y183 PolarHBondContact O-N 2.91Å; P181-A184 PolarHBondContact O-N 2.88Å; P181-F189 HydrophobicContact CB-CZ 4.17Å; P181-F189 WeakPolarHBondContact O-CZ 3.36Å; P181-L223 HydrophobicContact CB-CD1 3.68Å; P181-L223 HydrophobicContact CG-CD1 4.08Å; P181-L226 HydrophobicContact CB-CD2 3.83Å; P181-L619 HydrophobicContact CG-CD2 4.06Å; P181-L619 HydrophobicContact CG-CG 4.46Å
182	P	91.5	Very high	87.6	Confident	25 Å²	25	34.1 Å²	34.1	16%	0.162	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.4	178.1	-20.6	34.1	0	0	0	114.8	S180 L216 L226	S180-P182 VanDerWaalsContact C-CD 3.46Å; S180-P182 VanDerWaalsContact O-N 3.09Å; P182-L216 HydrophobicContact CB-CD1 3.83Å; P182-L216 HydrophobicContact CB-CD2 3.88Å; P182-L216 HydrophobicContact CB-CG 4.48Å; P182-L216 HydrophobicContact CG-CD1 4.34Å; P182-L226 HydrophobicContact CG-CD2 4.19Å
183	Y	95.2	Very high	87.5	Confident	6 Å²	6	35.4 Å²	35.4	2%	0.024	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-14.2	178.9	-59.4	-93	0	0	0	112.6	K145 A146 E147 S180 P181 W202 S203 V206 V207 L216	K145-Y183 HydrophobicContact CB-CD1 3.98Å; K145-Y183 HydrophobicContact CB-CD2 3.56Å; K145-Y183 HydrophobicContact CB-CE1 3.83Å; K145-Y183 HydrophobicContact CB-CE2 3.36Å; K145-Y183 HydrophobicContact CB-CG 3.84Å; K145-Y183 VanDerWaalsContact CB-CZ 3.48Å; A146-Y183 WeakPolarHBondContact CB-OH 3.36Å; A146-Y183 PolarHBondContact N-OH 3.35Å; A146-Y183 VanDerWaalsContact N-OH 3.1Å; E147-Y183 PolarHBondContact OE2-OH 3.4Å; S180-Y183 PolarHBondContact O-N 2.7Å; P181-Y183 PolarHBondContact O-N 2.91Å; Y183-W202 VanDerWaalsContact O-CD1 3.29Å; Y183-S203 PolarHBondContact O-OG 2.84Å; Y183-V206 HydrophobicContact CD1-CB 3.91Å; Y183-V206 HydrophobicContact CD1-CG1 3.36Å; Y183-V206 HydrophobicContact CE1-CG1 3.8Å; Y183-V206 HydrophobicContact CG-CG1 4.07Å; Y183-V207 HydrophobicContact CD1-CG2 4.12Å; Y183-V207 HydrophobicContact CE1-CG2 3.93Å; Y183-L216 HydrophobicContact CE1-CD2 4.44Å; Y183-L216 HydrophobicContact CE2-CD2 4.41Å
184	A	93.1	Very high	87.6	Confident	6 Å²	6	33 Å²	33	5%	0.05	19%	0.188	C	C	.	.			trans	-65.5	145.5	-179.3	0	0	0	0	0	112.3	S180 P181 F189 W202	S180-A184 PolarHBondContact O-N 2.96Å; S180-A184 VanDerWaalsContact O-N 3.17Å; P181-A184 PolarHBondContact O-N 2.88Å; A184-F189 HydrophobicContact CB-CD2 4.5Å; A184-F189 HydrophobicContact CB-CE2 3.85Å; A184-F189 HydrophobicContact CB-CZ 4.39Å; A184-W202 PolarHBondContact O-NE1 2.95Å
185	A	94.5	Very high	87.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.008	20%	0.199	C	C	.	.			trans	-82.1	154.1	-179	0	0	0	0	0	111.8	E187 V188 L199 W202	A185-E187 VanDerWaalsContact C-N 3.3Å; A185-E187 HydrophobicContact CB-CG 4.49Å; A185-E187 WeakPolarHBondContact CB-OE2 3.37Å; A185-E187 PolarHBondContact O-N 3.3Å; A185-V188 HydrophobicContact CB-CG2 4.39Å; A185-V188 WeakPolarHBondContact O-CB 3.46Å; A185-V188 PolarHBondContact O-N 2.98Å; A185-L199 HydrophobicContact CB-CD2 3.56Å; A185-W202 VanDerWaalsContact CA-CD1 3.46Å; A185-W202 HydrophobicContact CB-CB 3.83Å; A185-W202 HydrophobicContact CB-CD2 4.15Å; A185-W202 HydrophobicContact CB-CG 3.62Å
186	P	94.7	Very high	87.9	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-55.8	-40.4	-175.2	21.4	-34.1	0	0	0	113.5	V188 F189 E190 W202 V230 L231 L255	P186-V188 PolarHBondContact O-N 3.19Å; P186-F189 WeakPolarHBondContact O-CA 3.35Å; P186-F189 WeakPolarHBondContact O-CB 3.29Å; P186-F189 PolarHBondContact O-N 3.12Å; P186-E190 WeakPolarHBondContact O-CG 3.3Å; P186-E190 PolarHBondContact O-N 3.48Å; P186-W202 HydrophobicContact CG-CE3 4.42Å; P186-W202 HydrophobicContact CG-CH2 4.21Å; P186-W202 HydrophobicContact CG-CZ3 4.09Å; P186-V230 HydrophobicContact CB-CG1 4.14Å; P186-L231 HydrophobicContact CB-CD2 3.68Å; P186-L255 HydrophobicContact CB-CD2 4.12Å; P186-L255 HydrophobicContact CG-CD2 3.95Å
187	E	93.8	Very high	88.5	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-30.6	178.6	64.4	-90.3	-137.7	0	0	112.7	A185 E190 G191 Q192 L199 P257 R260	A185-E187 VanDerWaalsContact C-N 3.3Å; A185-E187 HydrophobicContact CB-CG 4.49Å; A185-E187 WeakPolarHBondContact CB-OE2 3.37Å; A185-E187 PolarHBondContact O-N 3.3Å; E187-E190 PolarHBondContact O-N 3.18Å; E187-G191 PolarHBondContact O-N 3.08Å; E187-Q192 HydrophobicContact CB-CB 4.12Å; E187-Q192 PolarHBondContact O-N 3.01Å; E187-L199 HydrophobicContact CG-CD2 3.8Å; E187-L199 WeakPolarHBondContact OE1-CD2 3.31Å; E187-P257 HydrophobicContact CB-CG 4.43Å; E187-P257 HydrophobicContact CG-CG 4.29Å; E187-P257 WeakPolarHBondContact OE1-CG 3Å; E187-R260 IonicContact OE1-CZ 2.73Å; E187-R260 IonicContact OE1-NH1 2.64Å; E187-R260 PolarHBondContact OE1-NH1 3.36Å; E187-R260 IonicContact OE1-NH2 2.66Å; E187-R260 PolarHBondContact OE1-NH2 3.26Å; E187-R260 IonicContact OE2-CZ 2.73Å; E187-R260 IonicContact OE2-NH1 2.58Å; E187-R260 PolarHBondContact OE2-NH1 3.1Å; E187-R260 IonicContact OE2-NH2 2.73Å; E187-R260 PolarHBondContact OE2-NH2 3.09Å
188	V	90.4	Very high	89.3	Confident	5 Å²	5	29.9 Å²	29.9	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-71.7	-36.8	175.9	-170.8	0	0	0	0	110.8	W177 A185 P186 E190 G191 L199 L619	W177-V188 WeakPolarHBondContact CZ3-O 3.49Å; A185-V188 HydrophobicContact CB-CG2 4.39Å; A185-V188 WeakPolarHBondContact O-CB 3.46Å; A185-V188 PolarHBondContact O-N 2.98Å; P186-V188 PolarHBondContact O-N 3.19Å; V188-E190 VanDerWaalsContact C-N 3.33Å; V188-G191 PolarHBondContact O-N 3.05Å; V188-L199 HydrophobicContact CG2-CD1 4.05Å; V188-L199 HydrophobicContact CG2-CD2 3.45Å; V188-L199 VanDerWaalsContact CG2-CD2 3.45Å; V188-L199 HydrophobicContact CG2-CG 4.43Å; V188-L619 HydrophobicContact CG1-CD1 3.92Å
189	F	87.2	Confident	90.1	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-69.9	-32	172.2	-74.3	-82.3	0	0	0	111.9	W177 P181 A184 P186 G191 L223 R227 V230 L619	W177-F189 VanDerWaalsContact CH2-O 3.25Å; W177-F189 WeakPolarHBondContact CH2-O 3.32Å; P181-F189 HydrophobicContact CB-CZ 4.17Å; P181-F189 WeakPolarHBondContact O-CZ 3.36Å; A184-F189 HydrophobicContact CB-CD2 4.5Å; A184-F189 HydrophobicContact CB-CE2 3.85Å; A184-F189 HydrophobicContact CB-CZ 4.39Å; P186-F189 WeakPolarHBondContact O-CA 3.35Å; P186-F189 WeakPolarHBondContact O-CB 3.29Å; P186-F189 PolarHBondContact O-N 3.12Å; F189-G191 VanDerWaalsContact C-N 3.27Å; F189-L223 HydrophobicContact CE1-CD1 3.98Å; F189-R227 HydrophobicContact CB-CG 4.14Å; F189-R227 HydrophobicContact CD1-CB 3.79Å; F189-R227 HydrophobicContact CD1-CG 3.92Å; F189-R227 HydrophobicContact CE1-CB 4.06Å; F189-R227 HydrophobicContact CG-CB 4.44Å; F189-R227 HydrophobicContact CG-CG 4.23Å; F189-R227 PolarHBondContact O-NH1 3.32Å; F189-R227 PolarHBondContact O-NH2 2.9Å; F189-R227 VanDerWaalsContact O-NH2 3.13Å; F189-V230 HydrophobicContact CD2-CB 4.39Å; F189-V230 HydrophobicContact CD2-CG1 3.86Å; F189-V230 HydrophobicContact CE2-CB 4.22Å; F189-V230 HydrophobicContact CE2-CG1 3.93Å; F189-V230 HydrophobicContact CE2-CG2 4.07Å; F189-L619 HydrophobicContact CE1-CD2 4.42Å
190	E	88.2	Confident	90.9	Very high	96 Å²	96	29.2 Å²	29.2	45%	0.449	16%	0.155	S	C	.	.	H	α-helix	trans	-78.1	-11	177.2	-64.6	-177.9	133.9	0	0	113.2	P186 E187 V188 Q192 L231	P186-E190 WeakPolarHBondContact O-CG 3.3Å; P186-E190 PolarHBondContact O-N 3.48Å; E187-E190 PolarHBondContact O-N 3.18Å; V188-E190 VanDerWaalsContact C-N 3.33Å; E190-Q192 VanDerWaalsContact C-N 3.25Å; E190-Q192 HydrophobicContact CB-CG 4.01Å; E190-Q192 PolarHBondContact OE2-NE2 3.25Å; E190-L231 HydrophobicContact CG-CD1 4.5Å; E190-L231 HydrophobicContact CG-CD2 3.65Å
191	G	85.8	Confident	91.5	Very high	34 Å²	34	28.7 Å²	28.7	35%	0.351	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	18.8	-177.3	0	0	0	0	0	113.7	E187 V188 F189	E187-G191 PolarHBondContact O-N 3.08Å; V188-G191 PolarHBondContact O-N 3.05Å; F189-G191 VanDerWaalsContact C-N 3.27Å
192	Q	87.9	Confident	91.9	Very high	90 Å²	90	27.6 Å²	27.6	42%	0.421	14%	0.143	S	C	.	.			trans	-73.8	153.7	-179.6	-71.2	167.6	19.9	0	0	111.3	E187 E190	E187-Q192 HydrophobicContact CB-CB 4.12Å; E187-Q192 PolarHBondContact O-N 3.01Å; E190-Q192 VanDerWaalsContact C-N 3.25Å; E190-Q192 HydrophobicContact CB-CG 4.01Å; E190-Q192 PolarHBondContact OE2-NE2 3.25Å
193	Q	87.9	Confident	92.2	Very high	138 Å²	138	26.6 Å²	26.6	65%	0.645	14%	0.137	S	C	*	.			trans	-70.9	138.6	169	-90.2	178.7	0.9	0	0	110.9	P173 L174 A175	P173-Q193 HydrophobicContact CB-CB 3.64Å; P173-Q193 HydrophobicContact CB-CG 3.88Å; P173-Q193 HydrophobicContact CG-CB 4.33Å; P173-Q193 HydrophobicContact CG-CG 4.24Å; L174-Q193 WeakPolarHBondContact O-CA 3.43Å; A175-Q193 HydrophobicContact CB-CG 4.17Å
194	Y	87.8	Confident	92.3	Very high	13 Å²	13	26.4 Å²	26.4	5%	0.051	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-140.2	145.9	-174.4	59.6	-101.6	0	0	0	111.6	R142 L174 T176 L199	R142-Y194 PolarHBondContact NH1-OH 2.86Å; L174-Y194 HydrophobicContact CB-CD2 3.81Å; L174-Y194 HydrophobicContact CB-CE2 3.33Å; L174-Y194 HydrophobicContact CD1-CD2 4.5Å; L174-Y194 HydrophobicContact CD1-CE2 3.87Å; L174-Y194 HydrophobicContact CG-CE2 4.22Å; L174-Y194 PolarHBondContact N-O 3.32Å; L174-Y194 WeakPolarHBondContact O-CD1 3.31Å; L174-Y194 PolarHBondContact O-N 2.13Å; T176-Y194 PolarHBondContact O-OH 3.05Å; Y194-L199 HydrophobicContact CD1-CD1 4.16Å; Y194-L199 HydrophobicContact CD2-CD1 3.43Å; Y194-L199 VanDerWaalsContact CD2-CD1 3.43Å; Y194-L199 HydrophobicContact CD2-CG 3.92Å; Y194-L199 HydrophobicContact CE1-CD1 4.03Å; Y194-L199 HydrophobicContact CE2-CD1 3.27Å; Y194-L199 HydrophobicContact CE2-CG 4.25Å; Y194-L199 HydrophobicContact CG-CD1 3.89Å; Y194-L199 HydrophobicContact CG-CD2 4.35Å; Y194-L199 HydrophobicContact CG-CG 4.19Å
195	E	85.6	Confident	92.6	Very high	76 Å²	76	26.1 Å²	26.1	36%	0.355	13%	0.134	S	C	.	.			trans	-73	-34.8	176.5	-60.9	-173.8	116.9	0	0	112.5	F168 G171 P197 Q198	F168-E195 WeakPolarHBondContact CB-O 3.2Å; G171-E195 PolarHBondContact N-OE1 3.1Å; E195-P197 VanDerWaalsContact C-CD 3.42Å; E195-Q198 PolarHBondContact OE2-NE2 2.96Å
196	G	87.8	Confident	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	125.5	-53.1	172.6	0	0	0	0	0	114.8	Q198 L199	G196-Q198 PolarHBondContact O-N 2.67Å; G196-Q198 VanDerWaalsContact O-N 3.11Å; G196-L199 VanDerWaalsContact O-CB 3.28Å; G196-L199 WeakPolarHBondContact O-CB 3.42Å; G196-L199 PolarHBondContact O-N 3.37Å
197	P	94.7	Very high	93	Very high	21 Å²	21	26 Å²	26	14%	0.136	13%	0.133	C	C	.	.	H	α-helix	trans	-54.5	-34.6	-177.1	-31.9	39	0	0	0	114.3	H135 V140 F168 E195 L199 D200 I201	H135-P197 VanDerWaalsContact CE1-CA 3.5Å; H135-P197 WeakPolarHBondContact CE1-CA 3.23Å; V140-P197 HydrophobicContact CG1-CG 4.04Å; F168-P197 HydrophobicContact CD1-CG 4.46Å; F168-P197 HydrophobicContact CD2-CG 4.06Å; F168-P197 HydrophobicContact CE1-CG 3.96Å; F168-P197 HydrophobicContact CE2-CG 3.54Å; F168-P197 HydrophobicContact CZ-CG 3.49Å; F168-P197 VanDerWaalsContact CZ-CG 3.49Å; E195-P197 VanDerWaalsContact C-CD 3.42Å; P197-L199 VanDerWaalsContact C-N 3.27Å; P197-L199 PolarHBondContact O-N 3.46Å; P197-D200 PolarHBondContact O-N 3.26Å; P197-I201 WeakPolarHBondContact O-CG1 3.26Å; P197-I201 PolarHBondContact O-N 3.44Å; P197-I201 VanDerWaalsContact O-N 3.1Å
198	Q	95.5	Very high	93.2	Very high	42 Å²	42	25.8 Å²	25.8	20%	0.196	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-24.9	178.6	-54.4	84.5	-10.5	0	0	112.9	E195 G196 W202 P257 R260	E195-Q198 PolarHBondContact OE2-NE2 2.96Å; G196-Q198 PolarHBondContact O-N 2.67Å; G196-Q198 VanDerWaalsContact O-N 3.11Å; Q198-W202 PolarHBondContact O-N 3.42Å; Q198-W202 VanDerWaalsContact O-N 3.14Å; Q198-P257 HydrophobicContact CB-CB 3.98Å; Q198-P257 HydrophobicContact CG-CB 4.24Å; Q198-R260 PolarHBondContact O-NH1 3.19Å
199	L	94.4	Very high	93.6	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-70.8	-45.7	173.2	-62.4	-173.1	0	0	0	111.6	R142 A185 E187 V188 Y194 G196 P197 I201 W202 S203	R142-L199 HydrophobicContact CG-CD1 4.48Å; A185-L199 HydrophobicContact CB-CD2 3.56Å; E187-L199 HydrophobicContact CG-CD2 3.8Å; E187-L199 WeakPolarHBondContact OE1-CD2 3.31Å; V188-L199 HydrophobicContact CG2-CD1 4.05Å; V188-L199 HydrophobicContact CG2-CD2 3.45Å; V188-L199 VanDerWaalsContact CG2-CD2 3.45Å; V188-L199 HydrophobicContact CG2-CG 4.43Å; Y194-L199 HydrophobicContact CD1-CD1 4.16Å; Y194-L199 HydrophobicContact CD2-CD1 3.43Å; Y194-L199 VanDerWaalsContact CD2-CD1 3.43Å; Y194-L199 HydrophobicContact CD2-CG 3.92Å; Y194-L199 HydrophobicContact CE1-CD1 4.03Å; Y194-L199 HydrophobicContact CE2-CD1 3.27Å; Y194-L199 HydrophobicContact CE2-CG 4.25Å; Y194-L199 HydrophobicContact CG-CD1 3.89Å; Y194-L199 HydrophobicContact CG-CD2 4.35Å; Y194-L199 HydrophobicContact CG-CG 4.19Å; G196-L199 VanDerWaalsContact O-CB 3.28Å; G196-L199 WeakPolarHBondContact O-CB 3.42Å; G196-L199 PolarHBondContact O-N 3.37Å; P197-L199 VanDerWaalsContact C-N 3.27Å; P197-L199 PolarHBondContact O-N 3.46Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.94Å; L199-W202 PolarHBondContact O-N 2.96Å; L199-S203 WeakPolarHBondContact O-CB 3.04Å; L199-S203 PolarHBondContact O-N 3.21Å; L199-S203 PolarHBondContact O-OG 3.35Å
200	D	97.1	Very high	94.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-36.1	178.5	-75.3	-20.4	0	0	0	109.9	V131 H135 V140 H141 R142 L144 P197 S203 M204	V131-D200 HydrophobicContact CG1-CB 4.1Å; H135-D200 IonicContact CD2-OD2 3.72Å; H135-D200 IonicContact CE1-OD2 2.72Å; H135-D200 IonicContact NE2-OD2 2.69Å; H135-D200 PolarHBondContact NE2-OD2 2.6Å; V140-D200 WeakPolarHBondContact CA-OD2 3.38Å; H141-D200 PolarHBondContact N-OD1 3.28Å; H141-D200 PolarHBondContact N-OD2 2.93Å; R142-D200 PolarHBondContact N-OD1 2.64Å; L144-D200 HydrophobicContact CD1-CB 3.74Å; P197-D200 PolarHBondContact O-N 3.26Å; D200-S203 PolarHBondContact O-N 2.9Å; D200-M204 WeakPolarHBondContact O-CB 3.35Å; D200-M204 VanDerWaalsContact O-CG 3.24Å; D200-M204 WeakPolarHBondContact O-CG 3.48Å; D200-M204 PolarHBondContact O-N 2.65Å
201	I	98.3	Very high	94.5	Very high	10 Å²	10	22 Å²	22	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-47.3	172.6	-73	160.7	0	0	0	111.9	P197 L199 M204 G205 M252 R260 L263 I266	P197-I201 WeakPolarHBondContact O-CG1 3.26Å; P197-I201 PolarHBondContact O-N 3.44Å; P197-I201 VanDerWaalsContact O-N 3.1Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.94Å; I201-M204 PolarHBondContact O-N 2.86Å; I201-G205 PolarHBondContact O-N 2.82Å; I201-G205 VanDerWaalsContact O-N 3.08Å; I201-M252 HydrophobicContact CG2-CE 4.26Å; I201-M252 WeakPolarHBondContact O-CE 3.23Å; I201-R260 HydrophobicContact CG2-CB 4.06Å; I201-L263 HydrophobicContact CD1-CD2 4.17Å; I201-L263 HydrophobicContact CG1-CD2 3.73Å; I201-I266 HydrophobicContact CG1-CD1 4.46Å; I201-I266 HydrophobicContact CG2-CD1 4.25Å
202	W	98.2	Very high	95.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-47.9	174.4	173.5	-81.8	0	0	0	111.3	Y183 A184 A185 P186 Q198 L199 M204 G205 V206 F218 V230 L253 L255	Y183-W202 VanDerWaalsContact O-CD1 3.29Å; A184-W202 PolarHBondContact O-NE1 2.95Å; A185-W202 VanDerWaalsContact CA-CD1 3.46Å; A185-W202 HydrophobicContact CB-CB 3.83Å; A185-W202 HydrophobicContact CB-CD2 4.15Å; A185-W202 HydrophobicContact CB-CG 3.62Å; P186-W202 HydrophobicContact CG-CE3 4.42Å; P186-W202 HydrophobicContact CG-CH2 4.21Å; P186-W202 HydrophobicContact CG-CZ3 4.09Å; Q198-W202 PolarHBondContact O-N 3.42Å; Q198-W202 VanDerWaalsContact O-N 3.14Å; L199-W202 PolarHBondContact O-N 2.96Å; W202-M204 VanDerWaalsContact C-N 3.3Å; W202-M204 PolarHBondContact O-N 2.85Å; W202-G205 WeakPolarHBondContact O-CA 3.46Å; W202-G205 PolarHBondContact O-N 2.85Å; W202-V206 PolarHBondContact O-N 3.34Å; W202-F218 AromaticContact CH2-CE2 3.88Å; W202-F218 HydrophobicContact CH2-CE2 3.88Å; W202-F218 AromaticContact CH2-CZ 3.96Å; W202-F218 HydrophobicContact CH2-CZ 3.96Å; W202-F218 HydrophobicContact CZ2-CD2 4.1Å; W202-F218 AromaticContact CZ2-CE2 3.38Å; W202-F218 HydrophobicContact CZ2-CE2 3.38Å; W202-F218 AromaticContact CZ2-CZ 3.94Å; W202-F218 HydrophobicContact CZ2-CZ 3.94Å; W202-V230 HydrophobicContact CZ2-CG1 3.98Å; W202-L253 HydrophobicContact CD2-CD2 3.71Å; W202-L253 HydrophobicContact CE3-CB 4.37Å; W202-L253 HydrophobicContact CE3-CD2 3.96Å; W202-L253 HydrophobicContact CG-CD2 4.11Å; W202-L253 HydrophobicContact CH2-CB 4.45Å; W202-L253 HydrophobicContact CH2-CD2 4.47Å; W202-L253 HydrophobicContact CZ2-CD2 4.24Å; W202-L253 HydrophobicContact CZ3-CB 4.13Å; W202-L253 HydrophobicContact CZ3-CD2 4.33Å; W202-L253 WeakPolarHBondContact O-CD2 3.07Å; W202-L255 HydrophobicContact CH2-CD2 4.2Å; W202-L255 HydrophobicContact CZ3-CD2 4.39Å
203	S	98.1	Very high	95.5	Very high	5 Å²	5	16.5 Å²	16.5	4%	0.035	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-40.3	179.2	-52.3	0	0	0	0	111.9	Y183 L199 D200 G205 V206 V207	Y183-S203 PolarHBondContact O-OG 2.84Å; L199-S203 WeakPolarHBondContact O-CB 3.04Å; L199-S203 PolarHBondContact O-N 3.21Å; L199-S203 PolarHBondContact O-OG 3.35Å; D200-S203 PolarHBondContact O-N 2.9Å; S203-G205 VanDerWaalsContact C-N 3.32Å; S203-G205 PolarHBondContact O-N 2.66Å; S203-V206 PolarHBondContact O-N 3.16Å; S203-V207 WeakPolarHBondContact O-CG2 3.4Å; S203-V207 PolarHBondContact O-N 2.93Å
204	M	98.4	Very high	95.8	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-62.6	-35.8	172	-78.3	177.3	62.4	0	0	112.4	F124 I127 L128 V131 L144 D200 I201 W202 V207 L208 M252 L263	F124-M204 HydrophobicContact CE1-CE 4.27Å; F124-M204 HydrophobicContact CE2-CB 4.06Å; F124-M204 HydrophobicContact CE2-CE 3.91Å; F124-M204 WeakPolarHBondContact CE2-O 3.14Å; F124-M204 HydrophobicContact CZ-CB 4.15Å; F124-M204 HydrophobicContact CZ-CE 3.65Å; I127-M204 HydrophobicContact CG2-CE 4.21Å; I127-M204 HydrophobicContact CG2-CG 4.1Å; I127-M204 HydrophobicContact CG2-SD 4.4Å; L128-M204 HydrophobicContact CB-CE 3.95Å; L128-M204 HydrophobicContact CD1-CE 3.92Å; V131-M204 HydrophobicContact CB-SD 3.88Å; V131-M204 HydrophobicContact CG1-SD 3.83Å; V131-M204 HydrophobicContact CG2-CG 4.44Å; V131-M204 HydrophobicContact CG2-SD 3.82Å; L144-M204 HydrophobicContact CD1-CG 4.02Å; D200-M204 WeakPolarHBondContact O-CB 3.35Å; D200-M204 VanDerWaalsContact O-CG 3.24Å; D200-M204 WeakPolarHBondContact O-CG 3.48Å; D200-M204 PolarHBondContact O-N 2.65Å; I201-M204 PolarHBondContact O-N 2.86Å; W202-M204 VanDerWaalsContact C-N 3.3Å; W202-M204 PolarHBondContact O-N 2.85Å; M204-V207 PolarHBondContact O-N 3.36Å; M204-L208 WeakPolarHBondContact O-CB 3.27Å; M204-L208 PolarHBondContact O-N 2.95Å; M204-M252 HydrophobicContact CB-CE 3.54Å; M204-M252 HydrophobicContact CE-CE 4.46Å; M204-L263 HydrophobicContact SD-CD2 4.43Å
205	G	98.4	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.4	-42	174.4	0	0	0	0	0	112.1	I201 W202 S203 L208 Y209	I201-G205 PolarHBondContact O-N 2.82Å; I201-G205 VanDerWaalsContact O-N 3.08Å; W202-G205 WeakPolarHBondContact O-CA 3.46Å; W202-G205 PolarHBondContact O-N 2.85Å; S203-G205 VanDerWaalsContact C-N 3.32Å; S203-G205 PolarHBondContact O-N 2.66Å; G205-L208 PolarHBondContact O-N 3.13Å; G205-Y209 PolarHBondContact O-N 2.92Å; G205-Y209 VanDerWaalsContact O-N 3.11Å
206	V	98.4	Very high	96.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-46.8	172.9	179.2	0	0	0	0	110.7	Y183 W202 S203 L208 Y209 V210 L216 P217 L253	Y183-V206 HydrophobicContact CD1-CB 3.91Å; Y183-V206 HydrophobicContact CD1-CG1 3.36Å; Y183-V206 HydrophobicContact CE1-CG1 3.8Å; Y183-V206 HydrophobicContact CG-CG1 4.07Å; W202-V206 PolarHBondContact O-N 3.34Å; S203-V206 PolarHBondContact O-N 3.16Å; V206-L208 PolarHBondContact O-N 2.84Å; V206-Y209 PolarHBondContact O-N 3.12Å; V206-V210 WeakPolarHBondContact O-CG2 3.44Å; V206-V210 PolarHBondContact O-N 2.85Å; V206-L216 HydrophobicContact CG1-CD2 4.15Å; V206-P217 HydrophobicContact CB-CG 4.28Å; V206-P217 HydrophobicContact CG1-CG 3.9Å; V206-P217 HydrophobicContact CG2-CG 4.13Å; V206-L253 HydrophobicContact CG2-CD2 3.81Å
207	V	98.4	Very high	96.7	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.012	6%	0.055	C	C	.	.	H	α-helix	trans	-59.5	-45.4	176.2	165.1	0	0	0	0	111.9	I127 L149 Y183 S203 M204 Y209 V210 L211	I127-V207 HydrophobicContact CD1-CG1 3.94Å; L149-V207 HydrophobicContact CD1-CG1 3.57Å; L149-V207 HydrophobicContact CD1-CG2 4.22Å; Y183-V207 HydrophobicContact CD1-CG2 4.12Å; Y183-V207 HydrophobicContact CE1-CG2 3.93Å; S203-V207 WeakPolarHBondContact O-CG2 3.4Å; S203-V207 PolarHBondContact O-N 2.93Å; M204-V207 PolarHBondContact O-N 3.36Å; V207-Y209 VanDerWaalsContact C-N 3.34Å; V207-Y209 PolarHBondContact O-N 3.24Å; V207-V210 PolarHBondContact O-N 3.39Å; V207-V210 VanDerWaalsContact O-N 3.16Å; V207-L211 HydrophobicContact CG1-CD1 4.14Å; V207-L211 HydrophobicContact CG1-CG 4.4Å; V207-L211 WeakPolarHBondContact O-CG 3.36Å; V207-L211 PolarHBondContact O-N 2.83Å
208	L	98.6	Very high	96.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.6	-46.2	178.7	177.6	55.8	0	0	0	111.2	F124 M204 G205 V206 V210 L211 V212 L248 I249 W271	F124-L208 HydrophobicContact CB-CD1 4.38Å; F124-L208 HydrophobicContact CD1-CD1 4.43Å; F124-L208 HydrophobicContact CD1-CD2 4.3Å; F124-L208 HydrophobicContact CD2-CB 4.03Å; F124-L208 HydrophobicContact CD2-CD1 4.14Å; F124-L208 HydrophobicContact CD2-CG 4.5Å; F124-L208 HydrophobicContact CE1-CD2 4Å; F124-L208 HydrophobicContact CE2-CB 3.71Å; F124-L208 HydrophobicContact CE2-CD2 4.43Å; F124-L208 HydrophobicContact CE2-CG 4.44Å; F124-L208 HydrophobicContact CG-CD1 4.06Å; F124-L208 HydrophobicContact CZ-CB 4.08Å; F124-L208 HydrophobicContact CZ-CD2 4.06Å; M204-L208 WeakPolarHBondContact O-CB 3.27Å; M204-L208 PolarHBondContact O-N 2.95Å; G205-L208 PolarHBondContact O-N 3.13Å; V206-L208 PolarHBondContact O-N 2.84Å; L208-V210 PolarHBondContact O-N 3.18Å; L208-L211 PolarHBondContact O-N 2.67Å; L208-V212 HydrophobicContact CD1-CG1 4.28Å; L208-V212 WeakPolarHBondContact O-CG2 3.34Å; L208-V212 PolarHBondContact O-N 3.21Å; L208-V212 VanDerWaalsContact O-N 3.16Å; L208-L248 HydrophobicContact CD2-CD2 3.73Å; L208-L248 HydrophobicContact CD2-CG 3.97Å; L208-I249 HydrophobicContact CB-CG1 4.4Å; L208-I249 HydrophobicContact CD2-CD1 4.41Å; L208-I249 HydrophobicContact CD2-CG1 3.68Å; L208-I249 HydrophobicContact CG-CD1 4.13Å; L208-I249 HydrophobicContact CG-CG1 3.84Å; L208-W271 HydrophobicContact CD1-CH2 3.55Å; L208-W271 HydrophobicContact CD1-CZ2 4.38Å; L208-W271 HydrophobicContact CD1-CZ3 3.81Å; L208-W271 HydrophobicContact CD2-CZ3 4.32Å
209	Y	98.5	Very high	96.5	Very high	15 Å²	15	9.7 Å²	9.7	6%	0.059	6%	0.058	C	C	.	.	H	α-helix	trans	-59.1	-45.1	174.2	-176.5	-82.6	0	0	0	111.6	G205 V206 V207 L211 V212 C213 A215 L216 P217 F235 R236 M241 I249	G205-Y209 PolarHBondContact O-N 2.92Å; G205-Y209 VanDerWaalsContact O-N 3.11Å; V206-Y209 PolarHBondContact O-N 3.12Å; V207-Y209 VanDerWaalsContact C-N 3.34Å; V207-Y209 PolarHBondContact O-N 3.24Å; Y209-L211 VanDerWaalsContact C-N 3.31Å; Y209-L211 PolarHBondContact O-N 3.46Å; Y209-V212 PolarHBondContact O-N 2.79Å; Y209-C213 HydrophobicContact CD1-CB 4.01Å; Y209-C213 HydrophobicContact CE1-CB 3.72Å; Y209-C213 HydrophobicContact CE2-CB 4.42Å; Y209-C213 WeakPolarHBondContact CE2-SG 3.44Å; Y209-C213 HydrophobicContact CG-CB 4.49Å; Y209-C213 VanDerWaalsContact CZ-SG 3.54Å; Y209-C213 WeakPolarHBondContact O-CB 3.49Å; Y209-C213 PolarHBondContact O-N 3.44Å; Y209-A215 WeakPolarHBondContact CD1-O 3.21Å; Y209-A215 HydrophobicContact CE1-CB 4.47Å; Y209-A215 VanDerWaalsContact CE1-O 3.3Å; Y209-A215 WeakPolarHBondContact CE1-O 3.39Å; Y209-L216 VanDerWaalsContact CE1-C 3.44Å; Y209-L216 WeakPolarHBondContact CE1-O 3.44Å; Y209-P217 HydrophobicContact CD1-CB 3.72Å; Y209-P217 HydrophobicContact CD1-CG 4.04Å; Y209-P217 HydrophobicContact CD2-CB 4.2Å; Y209-P217 HydrophobicContact CE1-CB 3.94Å; Y209-P217 HydrophobicContact CE2-CB 4.4Å; Y209-P217 HydrophobicContact CG-CB 3.85Å; Y209-P217 HydrophobicContact CG-CG 4.23Å; Y209-F235 AromaticContact CD2-CD2 3.99Å; Y209-F235 HydrophobicContact CD2-CD2 3.99Å; Y209-F235 HydrophobicContact CD2-CE2 4.21Å; Y209-F235 AromaticContact CE2-CD2 3.8Å; Y209-F235 HydrophobicContact CE2-CD2 3.8Å; Y209-F235 HydrophobicContact CE2-CE2 4.35Å; Y209-R236 VanDerWaalsContact CE2-O 3.29Å; Y209-R236 WeakPolarHBondContact CE2-O 3.47Å; Y209-R236 PolarHBondContact OH-O 3.22Å; Y209-R236 VanDerWaalsContact OH-O 3.1Å; Y209-M241 HydrophobicContact CD2-CE 4.17Å; Y209-M241 HydrophobicContact CE2-CE 4.35Å; Y209-I249 HydrophobicContact CD2-CD1 4.36Å; Y209-I249 HydrophobicContact CD2-CG2 4.36Å
210	V	97.6	Very high	96.1	Very high	5 Å²	5	10 Å²	10	3%	0.03	6%	0.063	C	C	.	.	H	α-helix	trans	-58.6	-40.5	176.5	168.6	0	0	0	0	112.1	L109 A146 V206 V207 L208 G214 A215 L216	L109-V210 HydrophobicContact CD1-CG1 3.79Å; A146-V210 HydrophobicContact CB-CG1 4.21Å; V206-V210 WeakPolarHBondContact O-CG2 3.44Å; V206-V210 PolarHBondContact O-N 2.85Å; V207-V210 PolarHBondContact O-N 3.39Å; V207-V210 VanDerWaalsContact O-N 3.16Å; L208-V210 PolarHBondContact O-N 3.18Å; V210-G214 WeakPolarHBondContact O-CA 3.34Å; V210-G214 PolarHBondContact O-N 3.35Å; V210-A215 WeakPolarHBondContact CA-O 3.48Å; V210-A215 WeakPolarHBondContact CG2-O 3.47Å; V210-L216 HydrophobicContact CG2-CD2 3.83Å; V210-L216 HydrophobicContact CG2-CG 4.41Å
211	L	98	Very high	95.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-47.2	177.9	-67.3	169.9	0	0	0	112.6	I105 L109 L115 A120 I127 V207 L208 Y209	I105-L211 HydrophobicContact CD1-CD2 3.54Å; I105-L211 HydrophobicContact CG1-CD2 4.18Å; L109-L211 HydrophobicContact CD1-CD2 4.35Å; L115-L211 HydrophobicContact CD1-CB 4.4Å; L115-L211 HydrophobicContact CD1-CD2 3.89Å; L115-L211 PolarHBondContact N-O 3.44Å; A120-L211 HydrophobicContact CB-CB 4.06Å; I127-L211 HydrophobicContact CD1-CD1 4.24Å; V207-L211 HydrophobicContact CG1-CD1 4.14Å; V207-L211 HydrophobicContact CG1-CG 4.4Å; V207-L211 WeakPolarHBondContact O-CG 3.36Å; V207-L211 PolarHBondContact O-N 2.83Å; L208-L211 PolarHBondContact O-N 2.67Å; Y209-L211 VanDerWaalsContact C-N 3.31Å; Y209-L211 PolarHBondContact O-N 3.46Å
212	V	97.8	Very high	95.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-87.2	-27.6	-173.6	-58.4	0	0	0	0	114	R114 E117 A120 L208 Y209 M241 I249 W271	R114-V212 VanDerWaalsContact CD-O 3.26Å; R114-V212 WeakPolarHBondContact CD-O 3.38Å; R114-V212 PolarHBondContact NH1-O 3.45Å; E117-V212 HydrophobicContact CG-CG1 4.14Å; A120-V212 HydrophobicContact CB-CG1 3.45Å; A120-V212 VanDerWaalsContact CB-CG1 3.45Å; L208-V212 HydrophobicContact CD1-CG1 4.28Å; L208-V212 WeakPolarHBondContact O-CG2 3.34Å; L208-V212 PolarHBondContact O-N 3.21Å; L208-V212 VanDerWaalsContact O-N 3.16Å; Y209-V212 PolarHBondContact O-N 2.79Å; V212-M241 HydrophobicContact CG2-CE 3.69Å; V212-I249 HydrophobicContact CG2-CD1 4.16Å; V212-W271 HydrophobicContact CG1-CZ2 4.49Å
213	C	95.8	Very high	94.6	Very high	8 Å²	8	21.4 Å²	21.4	5%	0.054	13%	0.133	C	C	.	.	H	α-helix	trans	-95.1	-32.9	179.9	-64.9	0	0	0	0	113	R114 Y209 M241	R114-C213 WeakPolarHBondContact CD-O 3.45Å; Y209-C213 HydrophobicContact CD1-CB 4.01Å; Y209-C213 HydrophobicContact CE1-CB 3.72Å; Y209-C213 HydrophobicContact CE2-CB 4.42Å; Y209-C213 WeakPolarHBondContact CE2-SG 3.44Å; Y209-C213 HydrophobicContact CG-CB 4.49Å; Y209-C213 VanDerWaalsContact CZ-SG 3.54Å; Y209-C213 WeakPolarHBondContact O-CB 3.49Å; Y209-C213 PolarHBondContact O-N 3.44Å; C213-M241 WeakPolarHBondContact SG-CE 3.47Å
214	G	93.4	Very high	94.3	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.031	15%	0.15	C	C	.	.	S	Bend	trans	64.3	44.7	-166.7	0	0	0	0	0	111.4	V210 F603	V210-G214 WeakPolarHBondContact O-CA 3.34Å; V210-G214 PolarHBondContact O-N 3.35Å; G214-F603 VanDerWaalsContact C-CZ 3.45Å; G214-F603 WeakPolarHBondContact O-CD1 3.43Å; G214-F603 WeakPolarHBondContact O-CE1 3.39Å; G214-F603 VanDerWaalsContact O-CG 3.25Å; G214-F603 WeakPolarHBondContact O-CG 3.34Å; G214-F603 WeakPolarHBondContact O-CZ 3.31Å
215	A	92.3	Very high	94	Very high	32 Å²	32	26.2 Å²	26.2	26%	0.264	16%	0.163	S	C	.	.	S	Bend	trans	-164.4	159.3	176.6	0	0	0	0	0	109.1	Y209 V210	Y209-A215 WeakPolarHBondContact CD1-O 3.21Å; Y209-A215 HydrophobicContact CE1-CB 4.47Å; Y209-A215 VanDerWaalsContact CE1-O 3.3Å; Y209-A215 WeakPolarHBondContact CE1-O 3.39Å; V210-A215 WeakPolarHBondContact CA-O 3.48Å; V210-A215 WeakPolarHBondContact CG2-O 3.47Å
216	L	94	Very high	93.7	Very high	28 Å²	28	26.7 Å²	26.7	15%	0.147	17%	0.165	C	C	.	.			trans	-75.7	147.5	168.8	-72.9	161.6	0	0	0	110.9	P182 Y183 V206 Y209 V210 F218 D219	P182-L216 HydrophobicContact CB-CD1 3.83Å; P182-L216 HydrophobicContact CB-CD2 3.88Å; P182-L216 HydrophobicContact CB-CG 4.48Å; P182-L216 HydrophobicContact CG-CD1 4.34Å; Y183-L216 HydrophobicContact CE1-CD2 4.44Å; Y183-L216 HydrophobicContact CE2-CD2 4.41Å; V206-L216 HydrophobicContact CG1-CD2 4.15Å; Y209-L216 VanDerWaalsContact CE1-C 3.44Å; Y209-L216 WeakPolarHBondContact CE1-O 3.44Å; V210-L216 HydrophobicContact CG2-CD2 3.83Å; V210-L216 HydrophobicContact CG2-CG 4.41Å; L216-F218 WeakPolarHBondContact CB-O 3.3Å; L216-D219 HydrophobicContact CB-CB 4.48Å
217	P	95.5	Very high	93.4	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.084	18%	0.175	C	C	.	.	S	Bend	trans	-73.7	-34.8	172.3	28.7	-30.3	0	0	0	111.4	V206 Y209 F235 L253	V206-P217 HydrophobicContact CB-CG 4.28Å; V206-P217 HydrophobicContact CG1-CG 3.9Å; V206-P217 HydrophobicContact CG2-CG 4.13Å; Y209-P217 HydrophobicContact CD1-CB 3.72Å; Y209-P217 HydrophobicContact CD1-CG 4.04Å; Y209-P217 HydrophobicContact CD2-CB 4.2Å; Y209-P217 HydrophobicContact CE1-CB 3.94Å; Y209-P217 HydrophobicContact CE2-CB 4.4Å; Y209-P217 HydrophobicContact CG-CB 3.85Å; Y209-P217 HydrophobicContact CG-CG 4.23Å; P217-F235 HydrophobicContact CB-CB 3.68Å; P217-F235 HydrophobicContact CB-CD2 4.26Å; P217-F235 HydrophobicContact CB-CG 4.01Å; P217-F235 WeakPolarHBondContact O-CB 3.46Å; P217-L253 HydrophobicContact CB-CD1 4.33Å; P217-L253 HydrophobicContact CG-CD1 4.3Å
218	F	94.9	Very high	93.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	20%	0.2	C	C	.	.	S	Bend	trans	-123.6	124	175.7	-44	-71	0	0	0	108.9	W202 L216 L226 R229 V230 F235 L253	W202-F218 AromaticContact CH2-CE2 3.88Å; W202-F218 HydrophobicContact CH2-CE2 3.88Å; W202-F218 AromaticContact CH2-CZ 3.96Å; W202-F218 HydrophobicContact CH2-CZ 3.96Å; W202-F218 HydrophobicContact CZ2-CD2 4.1Å; W202-F218 AromaticContact CZ2-CE2 3.38Å; W202-F218 HydrophobicContact CZ2-CE2 3.38Å; W202-F218 AromaticContact CZ2-CZ 3.94Å; W202-F218 HydrophobicContact CZ2-CZ 3.94Å; L216-F218 WeakPolarHBondContact CB-O 3.3Å; F218-L226 HydrophobicContact CB-CD1 4.05Å; F218-R229 WeakPolarHBondContact CD1-O 3.12Å; F218-V230 HydrophobicContact CB-CG2 3.81Å; F218-V230 HydrophobicContact CD2-CG2 4.16Å; F218-V230 HydrophobicContact CG-CG2 3.97Å; F218-F235 HydrophobicContact CD1-CB 4.44Å; F218-F235 HydrophobicContact CE1-CB 3.99Å; F218-F235 HydrophobicContact CE1-CD1 4.04Å; F218-F235 HydrophobicContact CE1-CG 4.48Å; F218-F235 HydrophobicContact CZ-CB 4.39Å; F218-F235 AromaticContact CZ-CD1 3.81Å; F218-F235 HydrophobicContact CZ-CD1 3.81Å; F218-F235 HydrophobicContact CZ-CG 4.47Å; F218-L253 HydrophobicContact CE2-CD1 4.07Å; F218-L253 HydrophobicContact CE2-CD2 4.45Å; F218-L253 HydrophobicContact CZ-CD1 4.31Å
219	D	90.3	Very high	93	Very high	69 Å²	69	39.8 Å²	39.8	37%	0.369	22%	0.219	S	C	.	.			trans	-141.1	156.2	175.1	175.6	36.1	0	0	0	108.2	L216 R229 H606	L216-D219 HydrophobicContact CB-CB 4.48Å; D219-R229 WeakPolarHBondContact O-CD 3.4Å; D219-R229 PolarHBondContact O-NH1 2.92Å; D219-H606 IonicContact OD1-CE1 2.62Å; D219-H606 PolarHBondContact OD1-CE1 3.14Å; D219-H606 VanDerWaalsContact OD1-CE1 3.25Å; D219-H606 IonicContact OD1-ND1 2.6Å; D219-H606 IonicContact OD2-CE1 2.64Å; D219-H606 IonicContact OD2-ND1 2.66Å
220	G	86.6	Confident	92.8	Very high	14 Å²	14	39.1 Å²	39.1	14%	0.144	22%	0.217	C	C	.	.			trans	-161.5	140.1	178.4	0	0	0	0	0	112.3	T222	G220-T222 PolarHBondContact O-N 3.38Å; G220-T222 VanDerWaalsContact O-N 3.17Å
221	P	86.2	Confident	92.7	Very high	117 Å²	117	41.1 Å²	41.1	76%	0.76	23%	0.227	S	C	*	.	S	Bend	trans	-67.6	-15.4	-179.3	30	-37	0	0	0	113.3
222	T	90.5	Very high	92.6	Very high	78 Å²	78	44.9 Å²	44.9	48%	0.479	25%	0.245	S	C	.	.	S	Bend	trans	-140.7	154	173.2	64.6	0	0	0	0	109.6	G220 V225 L226	G220-T222 PolarHBondContact O-N 3.38Å; G220-T222 VanDerWaalsContact O-N 3.17Å; T222-V225 PolarHBondContact O-N 2.73Å; T222-V225 VanDerWaalsContact O-N 3.07Å; T222-V225 WeakPolarHBondContact OG1-CG2 3.43Å; T222-L226 PolarHBondContact O-N 2.73Å
223	L	85.9	Confident	92.3	Very high	55 Å²	55	45.7 Å²	45.7	29%	0.288	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-36.1	-177.1	-170.3	51.7	0	0	0	114.1	P181 F189 L226 R227 V622	P181-L223 HydrophobicContact CB-CD1 3.68Å; P181-L223 HydrophobicContact CG-CD1 4.08Å; F189-L223 HydrophobicContact CE1-CD1 3.98Å; L223-L226 HydrophobicContact CD1-CD2 4.18Å; L223-L226 PolarHBondContact O-N 2.64Å; L223-R227 WeakPolarHBondContact O-CB 3.49Å; L223-R227 PolarHBondContact O-N 3.36Å; L223-V622 HydrophobicContact CD2-CG2 3.4Å; L223-V622 VanDerWaalsContact CD2-CG2 3.4Å; L223-V622 HydrophobicContact CG-CG2 4.13Å
224	P	91.6	Very high	92.1	Very high	61 Å²	61	54.5 Å²	54.5	40%	0.396	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-37.8	170.8	-25.5	36.4	0	0	0	114.1	R227 Q228	P224-R227 PolarHBondContact O-N 2.8Å; P224-Q228 PolarHBondContact O-N 3.07Å
225	V	92.1	Very high	92.1	Very high	45 Å²	45	55.7 Å²	55.7	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-72.5	-35.2	178	176.1	0	0	0	0	111.3	T222 R229	T222-V225 PolarHBondContact O-N 2.73Å; T222-V225 VanDerWaalsContact O-N 3.07Å; T222-V225 WeakPolarHBondContact OG1-CG2 3.43Å; V225-R229 WeakPolarHBondContact O-CD 3.32Å; V225-R229 WeakPolarHBondContact O-CG 3.45Å; V225-R229 PolarHBondContact O-N 2.66Å
226	L	91.4	Very high	92.2	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-50.3	170.4	175.7	60	0	0	0	110.9	P181 P182 F218 T222 L223 Q228 R229 V230	P181-L226 HydrophobicContact CB-CD2 3.83Å; P182-L226 HydrophobicContact CG-CD2 4.19Å; F218-L226 HydrophobicContact CB-CD1 4.05Å; T222-L226 PolarHBondContact O-N 2.73Å; L223-L226 HydrophobicContact CD1-CD2 4.18Å; L223-L226 PolarHBondContact O-N 2.64Å; L226-Q228 VanDerWaalsContact C-N 3.33Å; L226-Q228 PolarHBondContact O-N 2.99Å; L226-R229 PolarHBondContact O-N 3.39Å; L226-R229 VanDerWaalsContact O-N 3.1Å; L226-V230 HydrophobicContact CD1-CG2 4.15Å; L226-V230 WeakPolarHBondContact O-CG2 3.27Å; L226-V230 PolarHBondContact O-N 2.7Å
227	R	91.6	Very high	92.2	Very high	56 Å²	56	65.2 Å²	65.2	21%	0.211	32%	0.32	C	S	.	.	H	α-helix	trans	-50.8	-51.5	174.8	171.4	-178.7	177.8	126.2	11.6	111.2	F189 L223 P224 R229 V230 L231	F189-R227 HydrophobicContact CB-CG 4.14Å; F189-R227 HydrophobicContact CD1-CB 3.79Å; F189-R227 HydrophobicContact CD1-CG 3.92Å; F189-R227 HydrophobicContact CE1-CB 4.06Å; F189-R227 HydrophobicContact CG-CB 4.44Å; F189-R227 HydrophobicContact CG-CG 4.23Å; F189-R227 PolarHBondContact O-NH1 3.32Å; F189-R227 PolarHBondContact O-NH2 2.9Å; F189-R227 VanDerWaalsContact O-NH2 3.13Å; L223-R227 WeakPolarHBondContact O-CB 3.49Å; L223-R227 PolarHBondContact O-N 3.36Å; P224-R227 PolarHBondContact O-N 2.8Å; R227-R229 VanDerWaalsContact C-N 3.31Å; R227-R229 PolarHBondContact O-N 2.87Å; R227-V230 PolarHBondContact O-N 3.18Å; R227-L231 HydrophobicContact CG-CD1 3.72Å; R227-L231 HydrophobicContact CG-CG 4.27Å; R227-L231 VanDerWaalsContact O-CG 3.32Å; R227-L231 WeakPolarHBondContact O-CG 3.44Å; R227-L231 PolarHBondContact O-N 2.65Å
228	Q	94.8	Very high	92.1	Very high	112 Å²	112	65.8 Å²	65.8	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-55.7	-46.2	179.1	-175.1	-171.4	-24.3	0	0	111.6	P224 L226 V230 L231 E232	P224-Q228 PolarHBondContact O-N 3.07Å; L226-Q228 VanDerWaalsContact C-N 3.33Å; L226-Q228 PolarHBondContact O-N 2.99Å; Q228-V230 PolarHBondContact O-N 3.12Å; Q228-L231 PolarHBondContact O-N 3.45Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.47Å; Q228-E232 PolarHBondContact NE2-OE1 2.8Å; Q228-E232 WeakPolarHBondContact O-CB 3.3Å; Q228-E232 WeakPolarHBondContact O-CG 3.41Å; Q228-E232 PolarHBondContact O-N 3.29Å
229	R	94.8	Very high	92	Very high	110 Å²	110	74.3 Å²	74.3	42%	0.415	36%	0.357	S	S	.	.	H	α-helix	trans	-67.6	-34.6	-179.1	-70.5	167.6	179.6	-168	-1.7	113.3	F218 D219 V225 L226 R227 G233	F218-R229 WeakPolarHBondContact CD1-O 3.12Å; D219-R229 WeakPolarHBondContact O-CD 3.4Å; D219-R229 PolarHBondContact O-NH1 2.92Å; V225-R229 WeakPolarHBondContact O-CD 3.32Å; V225-R229 WeakPolarHBondContact O-CG 3.45Å; V225-R229 PolarHBondContact O-N 2.66Å; L226-R229 PolarHBondContact O-N 3.39Å; L226-R229 VanDerWaalsContact O-N 3.1Å; R227-R229 VanDerWaalsContact C-N 3.31Å; R227-R229 PolarHBondContact O-N 2.87Å; R229-G233 PolarHBondContact O-N 3.06Å
230	V	94.8	Very high	92.1	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-65.7	-48.3	172.7	169.2	0	0	0	0	110.4	P186 F189 W202 F218 L226 R227 Q228 E232 G233 L255	P186-V230 HydrophobicContact CB-CG1 4.14Å; F189-V230 HydrophobicContact CD2-CB 4.39Å; F189-V230 HydrophobicContact CD2-CG1 3.86Å; F189-V230 HydrophobicContact CE2-CB 4.22Å; F189-V230 HydrophobicContact CE2-CG1 3.93Å; F189-V230 HydrophobicContact CE2-CG2 4.07Å; W202-V230 HydrophobicContact CZ2-CG1 3.98Å; F218-V230 HydrophobicContact CB-CG2 3.81Å; F218-V230 HydrophobicContact CD2-CG2 4.16Å; F218-V230 HydrophobicContact CG-CG2 3.97Å; L226-V230 HydrophobicContact CD1-CG2 4.15Å; L226-V230 WeakPolarHBondContact O-CG2 3.27Å; L226-V230 PolarHBondContact O-N 2.7Å; R227-V230 PolarHBondContact O-N 3.18Å; Q228-V230 PolarHBondContact O-N 3.12Å; V230-E232 VanDerWaalsContact C-N 3.34Å; V230-E232 PolarHBondContact O-N 3.46Å; V230-G233 PolarHBondContact O-N 3.29Å; V230-L255 VanDerWaalsContact O-CD2 3.29Å; V230-L255 WeakPolarHBondContact O-CD2 3.26Å
231	L	95.1	Very high	92.6	Very high	47 Å²	47	73.6 Å²	73.6	25%	0.246	35%	0.347	C	S	.	.	H	α-helix	trans	-68.5	-29.3	179.1	-62.3	177	0	0	0	113.2	P186 E190 R227 Q228 G233 L255	P186-L231 HydrophobicContact CB-CD2 3.68Å; E190-L231 HydrophobicContact CG-CD1 4.5Å; E190-L231 HydrophobicContact CG-CD2 3.65Å; R227-L231 HydrophobicContact CG-CD1 3.72Å; R227-L231 HydrophobicContact CG-CG 4.27Å; R227-L231 VanDerWaalsContact O-CG 3.32Å; R227-L231 WeakPolarHBondContact O-CG 3.44Å; R227-L231 PolarHBondContact O-N 2.65Å; Q228-L231 PolarHBondContact O-N 3.45Å; L231-G233 PolarHBondContact O-N 3.46Å; L231-L255 WeakPolarHBondContact O-CD1 3.27Å
232	E	95.4	Very high	93.1	Very high	81 Å²	81	70.8 Å²	70.8	38%	0.379	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.1	169.7	-80.6	-176.5	-142.1	0	0	113.1	Q228 V230 R234	Q228-E232 WeakPolarHBondContact CG-OE1 3.47Å; Q228-E232 PolarHBondContact NE2-OE1 2.8Å; Q228-E232 WeakPolarHBondContact O-CB 3.3Å; Q228-E232 WeakPolarHBondContact O-CG 3.41Å; Q228-E232 PolarHBondContact O-N 3.29Å; V230-E232 VanDerWaalsContact C-N 3.34Å; V230-E232 PolarHBondContact O-N 3.46Å; E232-R234 HydrophobicContact CB-CB 4.4Å; E232-R234 HydrophobicContact CB-CG 4.49Å; E232-R234 WeakPolarHBondContact O-CG 3.49Å; E232-R234 PolarHBondContact O-N 3.02Å; E232-R234 VanDerWaalsContact O-N 3.12Å
233	G	92.4	Very high	93.4	Very high	18 Å²	18	75.1 Å²	75.1	19%	0.186	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	11.2	-177.7	0	0	0	0	0	114.8	R229 V230 L231	R229-G233 PolarHBondContact O-N 3.06Å; V230-G233 PolarHBondContact O-N 3.29Å; L231-G233 PolarHBondContact O-N 3.46Å
234	R	90.4	Very high	93.9	Very high	193 Å²	193	74 Å²	74	73%	0.728	34%	0.337	S	S	*	.			trans	-99.4	101.2	-170	-75.6	168.1	-177.1	-177.3	-1	112.4	E232	E232-R234 HydrophobicContact CB-CB 4.4Å; E232-R234 HydrophobicContact CB-CG 4.49Å; E232-R234 WeakPolarHBondContact O-CG 3.49Å; E232-R234 PolarHBondContact O-N 3.02Å; E232-R234 VanDerWaalsContact O-N 3.12Å
235	F	94.2	Very high	94.2	Very high	29 Å²	29	71.1 Å²	71.1	13%	0.127	32%	0.318	C	S	.	.			trans	-110.3	165.2	168.9	61.9	-79.9	0	0	0	111.3	Y209 P217 F218 I237 I249 R250 L253	Y209-F235 AromaticContact CD2-CD2 3.99Å; Y209-F235 HydrophobicContact CD2-CD2 3.99Å; Y209-F235 HydrophobicContact CD2-CE2 4.21Å; Y209-F235 AromaticContact CE2-CD2 3.8Å; Y209-F235 HydrophobicContact CE2-CD2 3.8Å; Y209-F235 HydrophobicContact CE2-CE2 4.35Å; P217-F235 HydrophobicContact CB-CB 3.68Å; P217-F235 HydrophobicContact CB-CD2 4.26Å; P217-F235 HydrophobicContact CB-CG 4.01Å; P217-F235 WeakPolarHBondContact O-CB 3.46Å; F218-F235 HydrophobicContact CD1-CB 4.44Å; F218-F235 HydrophobicContact CE1-CB 3.99Å; F218-F235 HydrophobicContact CE1-CD1 4.04Å; F218-F235 HydrophobicContact CE1-CG 4.48Å; F218-F235 HydrophobicContact CZ-CB 4.39Å; F218-F235 AromaticContact CZ-CD1 3.81Å; F218-F235 HydrophobicContact CZ-CD1 3.81Å; F218-F235 HydrophobicContact CZ-CG 4.47Å; F235-I237 HydrophobicContact CD2-CD1 3.93Å; F235-I237 HydrophobicContact CE2-CD1 3.44Å; F235-I237 VanDerWaalsContact CE2-CD1 3.44Å; F235-I237 HydrophobicContact CZ-CD1 4.32Å; F235-I249 HydrophobicContact CE2-CG2 3.69Å; F235-I249 HydrophobicContact CZ-CG2 3.75Å; F235-R250 HydrophobicContact CZ-CG 3.92Å; F235-L253 HydrophobicContact CD1-CD1 4.14Å; F235-L253 HydrophobicContact CE1-CB 4Å; F235-L253 HydrophobicContact CE1-CD1 3.82Å; F235-L253 HydrophobicContact CE2-CD1 4.46Å; F235-L253 HydrophobicContact CZ-CB 4.49Å; F235-L253 HydrophobicContact CZ-CD1 4Å
236	R	93.6	Very high	94.5	Very high	211 Å²	211	71.3 Å²	71.3	80%	0.796	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-92.6	143.9	-179.7	-67.4	-179.9	177.3	174.9	-1.3	110.7	Y209	Y209-R236 VanDerWaalsContact CE2-O 3.29Å; Y209-R236 WeakPolarHBondContact CE2-O 3.47Å; Y209-R236 PolarHBondContact OH-O 3.22Å; Y209-R236 VanDerWaalsContact OH-O 3.1Å
237	I	93.7	Very high	94.8	Very high	49 Å²	49	74.5 Å²	74.5	25%	0.251	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-103.2	121.9	170.1	-54.8	-59.3	0	0	0	108.8	F235 M241 E246	F235-I237 HydrophobicContact CD2-CD1 3.93Å; F235-I237 HydrophobicContact CE2-CD1 3.44Å; F235-I237 VanDerWaalsContact CE2-CD1 3.44Å; F235-I237 HydrophobicContact CZ-CD1 4.32Å; I237-M241 HydrophobicContact CD1-SD 4.17Å; I237-M241 HydrophobicContact CG2-CB 4.21Å; I237-M241 HydrophobicContact CG2-SD 3.92Å; I237-E246 HydrophobicContact CD1-CB 4.5Å; I237-E246 HydrophobicContact CD1-CG 3.86Å; I237-E246 HydrophobicContact CG1-CG 4Å; I237-E246 HydrophobicContact CG2-CB 4.34Å; I237-E246 HydrophobicContact CG2-CG 4.23Å
238	P	93.3	Very high	95.1	Very high	25 Å²	25	71.9 Å²	71.9	16%	0.162	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-74.5	145.1	173.3	-15.3	30.7	0	0	0	112	F240 M241	P238-F240 HydrophobicContact CB-CD1 3.8Å; P238-F240 HydrophobicContact CB-CD2 3.9Å; P238-F240 HydrophobicContact CB-CE1 3.44Å; P238-F240 VanDerWaalsContact CB-CE1 3.44Å; P238-F240 HydrophobicContact CB-CE2 3.53Å; P238-F240 HydrophobicContact CB-CG 4.03Å; P238-F240 HydrophobicContact CB-CZ 3.3Å; P238-F240 HydrophobicContact CG-CE1 4.21Å; P238-F240 HydrophobicContact CG-CE2 3.78Å; P238-F240 HydrophobicContact CG-CZ 3.6Å; P238-F240 PolarHBondContact O-N 3.11Å; P238-M241 WeakPolarHBondContact O-CB 3.39Å; P238-M241 PolarHBondContact O-N 3.31Å
239	Y	93.2	Very high	95.3	Very high	181 Å²	181	66.5 Å²	66.5	71%	0.71	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-11.4	179.7	68.3	-98.4	0	0	0	115.6	L596	Y239-L596 HydrophobicContact CE1-CD2 4.46Å
240	F	93.2	Very high	95.5	Very high	49 Å²	49	67.4 Å²	67.4	22%	0.215	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3	-178.9	57.3	-118.7	0	0	0	113.7	R114 P238 L596	R114-F240 VanDerWaalsContact NH1-CD2 3.3Å; R114-F240 VanDerWaalsContact NH2-CD2 3.31Å; R114-F240 VanDerWaalsContact NH2-CG 3.3Å; P238-F240 HydrophobicContact CB-CD1 3.8Å; P238-F240 HydrophobicContact CB-CD2 3.9Å; P238-F240 HydrophobicContact CB-CE1 3.44Å; P238-F240 VanDerWaalsContact CB-CE1 3.44Å; P238-F240 HydrophobicContact CB-CE2 3.53Å; P238-F240 HydrophobicContact CB-CG 4.03Å; P238-F240 HydrophobicContact CB-CZ 3.3Å; P238-F240 HydrophobicContact CG-CE1 4.21Å; P238-F240 HydrophobicContact CG-CE2 3.78Å; P238-F240 HydrophobicContact CG-CZ 3.6Å; P238-F240 PolarHBondContact O-N 3.11Å; F240-L596 HydrophobicContact CE1-CD2 4.4Å
241	M	96.3	Very high	95.6	Very high	18 Å²	18	73.1 Å²	73.1	9%	0.089	32%	0.321	C	S	.	.	S	Bend	trans	-83.4	138.3	178.3	-176.2	178.1	-76.1	0	0	109.3	E117 Y209 V212 C213 I237 P238 C245 E246 I249	E117-M241 WeakPolarHBondContact OE1-CA 3.41Å; Y209-M241 HydrophobicContact CD2-CE 4.17Å; Y209-M241 HydrophobicContact CE2-CE 4.35Å; V212-M241 HydrophobicContact CG2-CE 3.69Å; C213-M241 WeakPolarHBondContact SG-CE 3.47Å; I237-M241 HydrophobicContact CD1-SD 4.17Å; I237-M241 HydrophobicContact CG2-CB 4.21Å; I237-M241 HydrophobicContact CG2-SD 3.92Å; P238-M241 WeakPolarHBondContact O-CB 3.39Å; P238-M241 PolarHBondContact O-N 3.31Å; M241-C245 HydrophobicContact CG-CB 3.75Å; M241-C245 HydrophobicContact SD-CB 4.5Å; M241-E246 HydrophobicContact CG-CB 4.39Å; M241-E246 HydrophobicContact SD-CB 3.92Å; M241-I249 HydrophobicContact CE-CD1 3.69Å; M241-I249 HydrophobicContact SD-CD1 4.08Å
242	T	96.8	Very high	95.8	Very high	59 Å²	59	70.9 Å²	70.9	36%	0.362	31%	0.309	S	S	.	.			trans	-72.4	148.9	173.4	64.7	0	0	0	0	111.4	E117 D244 C245 E246	E117-T242 PolarHBondContact OE1-N 3.33Å; E117-T242 PolarHBondContact OE1-OG1 3.42Å; E117-T242 WeakPolarHBondContact OE2-CG2 3.42Å; E117-T242 PolarHBondContact OE2-OG1 3.29Å; T242-D244 PolarHBondContact O-N 2.9Å; T242-C245 WeakPolarHBondContact O-CA 3.41Å; T242-C245 WeakPolarHBondContact O-CB 3.38Å; T242-C245 PolarHBondContact O-N 3.43Å; T242-C245 WeakPolarHBondContact OG1-CB 3.19Å; T242-C245 PolarHBondContact OG1-N 3.46Å; T242-E246 PolarHBondContact O-N 3.26Å
243	E	97.1	Very high	95.9	Very high	169 Å²	169	67.4 Å²	67.4	79%	0.79	29%	0.293	S	S	*	.	H	α-helix	trans	-55.3	-34.9	175.3	-61.6	178.6	168.1	0	0	112	H247	E243-H247 VanDerWaalsContact O-CB 3.27Å; E243-H247 WeakPolarHBondContact O-CB 3.33Å; E243-H247 PolarHBondContact O-N 2.88Å
244	D	97.3	Very high	96.2	Very high	31 Å²	31	68.2 Å²	68.2	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-39	174.9	-68.8	-49.1	0	0	0	112.3	T242 L248 H269 K270 W271	T242-D244 PolarHBondContact O-N 2.9Å; D244-L248 PolarHBondContact O-N 3.42Å; D244-L248 VanDerWaalsContact O-N 3.09Å; D244-H269 PolarHBondContact O-CE1 2.89Å; D244-K270 VanDerWaalsContact OD1-CD 3.3Å; D244-K270 WeakPolarHBondContact OD1-CD 3.18Å; D244-K270 WeakPolarHBondContact OD1-CG 3.48Å; D244-K270 IonicContact OD1-NZ 2.64Å; D244-K270 PolarHBondContact OD1-NZ 3.49Å; D244-K270 IonicContact OD2-NZ 3.13Å; D244-K270 PolarHBondContact OD2-NZ 3.27Å; D244-W271 HydrophobicContact CB-CB 3.88Å; D244-W271 HydrophobicContact CB-CG 4.34Å
245	C	97.8	Very high	96.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.5	-44.1	176.4	-165.6	0	0	0	0	111.1	E117 M241 T242 L248 I249 W271	E117-C245 WeakPolarHBondContact OE2-CB 3.47Å; M241-C245 HydrophobicContact CG-CB 3.75Å; M241-C245 HydrophobicContact SD-CB 4.5Å; T242-C245 WeakPolarHBondContact O-CA 3.41Å; T242-C245 WeakPolarHBondContact O-CB 3.38Å; T242-C245 PolarHBondContact O-N 3.43Å; T242-C245 WeakPolarHBondContact OG1-CB 3.19Å; T242-C245 PolarHBondContact OG1-N 3.46Å; C245-L248 PolarHBondContact O-N 2.88Å; C245-I249 WeakPolarHBondContact O-CG1 3.42Å; C245-I249 PolarHBondContact O-N 3.14Å; C245-W271 HydrophobicContact CB-CG 4.34Å
246	E	97.8	Very high	96.5	Very high	50 Å²	50	63.7 Å²	63.7	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-49.4	173.4	172.7	176.1	-177.2	0	0	111.2	I237 M241 T242 L248 I249 R250	I237-E246 HydrophobicContact CD1-CB 4.5Å; I237-E246 HydrophobicContact CD1-CG 3.86Å; I237-E246 HydrophobicContact CG1-CG 4Å; I237-E246 HydrophobicContact CG2-CB 4.34Å; I237-E246 HydrophobicContact CG2-CG 4.23Å; M241-E246 HydrophobicContact CG-CB 4.39Å; M241-E246 HydrophobicContact SD-CB 3.92Å; T242-E246 PolarHBondContact O-N 3.26Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.36Å; E246-I249 PolarHBondContact O-N 3.09Å; E246-R250 HydrophobicContact CG-CG 4.24Å; E246-R250 WeakPolarHBondContact O-CB 3.41Å; E246-R250 WeakPolarHBondContact O-CG 3.43Å; E246-R250 PolarHBondContact O-N 3.12Å; E246-R250 IonicContact OE1-CZ 3.57Å; E246-R250 IonicContact OE1-NE 3.39Å; E246-R250 PolarHBondContact OE1-NE 3.16Å; E246-R250 IonicContact OE1-NH2 3.48Å; E246-R250 PolarHBondContact OE1-NH2 3.04Å
247	H	98	Very high	96.6	Very high	77 Å²	77	55.6 Å²	55.6	36%	0.356	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-41.3	-179.5	-177	-107.9	0	0	0	111.5	E243 R251 H269	E243-H247 VanDerWaalsContact O-CB 3.27Å; E243-H247 WeakPolarHBondContact O-CB 3.33Å; E243-H247 PolarHBondContact O-N 2.88Å; H247-R251 PolarHBondContact NE2-NE 2.94Å; H247-R251 PolarHBondContact NE2-NH2 3.19Å; H247-R251 WeakPolarHBondContact O-CB 3.35Å; H247-R251 WeakPolarHBondContact O-CG 3.39Å; H247-R251 PolarHBondContact O-N 3.34Å; H247-R251 VanDerWaalsContact O-N 3.08Å; H247-H269 AromaticContact CE1-NE2 3.75Å; H247-H269 AromaticContact CG-NE2 3.87Å; H247-H269 AromaticContact ND1-CD2 3.95Å; H247-H269 AromaticContact ND1-CE1 3.77Å; H247-H269 AromaticContact ND1-NE2 2.89Å; H247-H269 PolarHBondContact ND1-NE2 3.33Å
248	L	98.4	Very high	96.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-52.2	175	-179.5	53.7	0	0	0	111.5	F124 L208 D244 C245 E246 R250 R251 M252 L261 I266 H269 W271 M272	F124-L248 HydrophobicContact CE1-CD2 4.38Å; L208-L248 HydrophobicContact CD2-CD2 3.73Å; L208-L248 HydrophobicContact CD2-CG 3.97Å; D244-L248 PolarHBondContact O-N 3.42Å; D244-L248 VanDerWaalsContact O-N 3.09Å; C245-L248 PolarHBondContact O-N 2.88Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.36Å; L248-R250 PolarHBondContact O-N 3.21Å; L248-R251 PolarHBondContact O-N 3.21Å; L248-R251 VanDerWaalsContact O-N 3.13Å; L248-M252 HydrophobicContact CD1-CG 4.15Å; L248-M252 HydrophobicContact CD1-SD 3.87Å; L248-M252 HydrophobicContact CG-SD 4.15Å; L248-M252 WeakPolarHBondContact O-CG 3.38Å; L248-M252 PolarHBondContact O-N 2.89Å; L248-L261 HydrophobicContact CD1-CD1 4.04Å; L248-I266 HydrophobicContact CD1-CG1 4.37Å; L248-I266 HydrophobicContact CD1-CG2 4.29Å; L248-H269 HydrophobicContact CD1-CB 4.16Å; L248-W271 HydrophobicContact CD2-CB 4.29Å; L248-W271 HydrophobicContact CD2-CD2 4.28Å; L248-W271 HydrophobicContact CD2-CE3 3.58Å; L248-W271 HydrophobicContact CD2-CZ3 4.26Å; L248-M272 HydrophobicContact CD2-CG 4.12Å
249	I	98.4	Very high	96.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-45.8	-177.3	-64.7	166.2	0	0	0	110.7	L208 Y209 V212 F235 M241 C245 E246 R251 M252 L253	L208-I249 HydrophobicContact CB-CG1 4.4Å; L208-I249 HydrophobicContact CD2-CD1 4.41Å; L208-I249 HydrophobicContact CD2-CG1 3.68Å; L208-I249 HydrophobicContact CG-CD1 4.13Å; L208-I249 HydrophobicContact CG-CG1 3.84Å; Y209-I249 HydrophobicContact CD2-CD1 4.36Å; Y209-I249 HydrophobicContact CD2-CG2 4.36Å; V212-I249 HydrophobicContact CG2-CD1 4.16Å; F235-I249 HydrophobicContact CE2-CG2 3.69Å; F235-I249 HydrophobicContact CZ-CG2 3.75Å; M241-I249 HydrophobicContact CE-CD1 3.69Å; M241-I249 HydrophobicContact SD-CD1 4.08Å; C245-I249 WeakPolarHBondContact O-CG1 3.42Å; C245-I249 PolarHBondContact O-N 3.14Å; E246-I249 PolarHBondContact O-N 3.09Å; I249-R251 PolarHBondContact O-N 3.44Å; I249-M252 PolarHBondContact O-N 2.87Å; I249-L253 HydrophobicContact CG2-CD1 3.72Å; I249-L253 HydrophobicContact CG2-CG 4.25Å; I249-L253 WeakPolarHBondContact O-CB 3.42Å; I249-L253 PolarHBondContact O-N 3Å
250	R	97.9	Very high	96.9	Very high	128 Å²	128	55 Å²	55	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-32.8	176.1	-75.1	-176.6	-177.2	-89.8	8.1	113.4	F235 E246 L248 V254	F235-R250 HydrophobicContact CZ-CG 3.92Å; E246-R250 HydrophobicContact CG-CG 4.24Å; E246-R250 WeakPolarHBondContact O-CB 3.41Å; E246-R250 WeakPolarHBondContact O-CG 3.43Å; E246-R250 PolarHBondContact O-N 3.12Å; E246-R250 IonicContact OE1-CZ 3.57Å; E246-R250 IonicContact OE1-NE 3.39Å; E246-R250 PolarHBondContact OE1-NE 3.16Å; E246-R250 IonicContact OE1-NH2 3.48Å; E246-R250 PolarHBondContact OE1-NH2 3.04Å; L248-R250 PolarHBondContact O-N 3.21Å; R250-V254 WeakPolarHBondContact O-CG2 3.24Å
251	R	98.2	Very high	97.1	Very high	120 Å²	120	53.8 Å²	53.8	45%	0.453	26%	0.264	S	S	.	.	H	α-helix	trans	-83.2	-14.6	-179.6	-71.9	-76.6	-163.8	162.6	5.3	113.7	H247 L248 I249 L261	H247-R251 PolarHBondContact NE2-NE 2.94Å; H247-R251 PolarHBondContact NE2-NH2 3.19Å; H247-R251 WeakPolarHBondContact O-CB 3.35Å; H247-R251 WeakPolarHBondContact O-CG 3.39Å; H247-R251 PolarHBondContact O-N 3.34Å; H247-R251 VanDerWaalsContact O-N 3.08Å; L248-R251 PolarHBondContact O-N 3.21Å; L248-R251 VanDerWaalsContact O-N 3.13Å; I249-R251 PolarHBondContact O-N 3.44Å; R251-L261 HydrophobicContact CB-CD1 3.48Å; R251-L261 VanDerWaalsContact CB-CD1 3.48Å; R251-L261 HydrophobicContact CB-CD2 4.34Å; R251-L261 HydrophobicContact CB-CG 3.71Å; R251-L261 HydrophobicContact CG-CD1 4.39Å; R251-L261 PolarHBondContact O-N 2.67Å; R251-L261 VanDerWaalsContact O-N 3.16Å
252	M	98.4	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-91.4	-39.5	168.6	-63.2	-177	67.3	0	0	111.5	F124 I201 M204 L248 I249 V254 I266	F124-M252 HydrophobicContact CE1-SD 4.25Å; F124-M252 HydrophobicContact CZ-CE 3.85Å; F124-M252 HydrophobicContact CZ-SD 3.87Å; I201-M252 HydrophobicContact CG2-CE 4.26Å; I201-M252 WeakPolarHBondContact O-CE 3.23Å; M204-M252 HydrophobicContact CB-CE 3.54Å; M204-M252 HydrophobicContact CE-CE 4.46Å; L248-M252 HydrophobicContact CD1-CG 4.15Å; L248-M252 HydrophobicContact CD1-SD 3.87Å; L248-M252 HydrophobicContact CG-SD 4.15Å; L248-M252 WeakPolarHBondContact O-CG 3.38Å; L248-M252 PolarHBondContact O-N 2.89Å; I249-M252 PolarHBondContact O-N 2.87Å; M252-V254 PolarHBondContact O-N 3.37Å; M252-V254 VanDerWaalsContact O-N 3.14Å; M252-I266 HydrophobicContact CE-CD1 3.6Å; M252-I266 HydrophobicContact CE-CG1 4.48Å; M252-I266 HydrophobicContact CG-CD1 4.09Å; M252-I266 HydrophobicContact CG-CG1 4.29Å; M252-I266 HydrophobicContact SD-CD1 3.95Å; M252-I266 HydrophobicContact SD-CG1 4.2Å; M252-I266 HydrophobicContact SD-CG2 4.47Å
253	L	98.2	Very high	97.1	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	27%	0.265	C	S	.	.	S	Bend	trans	-86.2	43.5	176.9	-59.1	-177.3	0	0	0	112.7	W202 V206 P217 F218 F235 I249	W202-L253 HydrophobicContact CD2-CD2 3.71Å; W202-L253 HydrophobicContact CE3-CB 4.37Å; W202-L253 HydrophobicContact CE3-CD2 3.96Å; W202-L253 HydrophobicContact CG-CD2 4.11Å; W202-L253 HydrophobicContact CH2-CB 4.45Å; W202-L253 HydrophobicContact CH2-CD2 4.47Å; W202-L253 HydrophobicContact CZ2-CD2 4.24Å; W202-L253 HydrophobicContact CZ3-CB 4.13Å; W202-L253 HydrophobicContact CZ3-CD2 4.33Å; W202-L253 WeakPolarHBondContact O-CD2 3.07Å; V206-L253 HydrophobicContact CG2-CD2 3.81Å; P217-L253 HydrophobicContact CB-CD1 4.33Å; P217-L253 HydrophobicContact CG-CD1 4.3Å; F218-L253 HydrophobicContact CE2-CD1 4.07Å; F218-L253 HydrophobicContact CE2-CD2 4.45Å; F218-L253 HydrophobicContact CZ-CD1 4.31Å; F235-L253 HydrophobicContact CD1-CD1 4.14Å; F235-L253 HydrophobicContact CE1-CB 4Å; F235-L253 HydrophobicContact CE1-CD1 3.82Å; F235-L253 HydrophobicContact CE2-CD1 4.46Å; F235-L253 HydrophobicContact CZ-CB 4.49Å; F235-L253 HydrophobicContact CZ-CD1 4Å; I249-L253 HydrophobicContact CG2-CD1 3.72Å; I249-L253 HydrophobicContact CG2-CG 4.25Å; I249-L253 WeakPolarHBondContact O-CB 3.42Å; I249-L253 PolarHBondContact O-N 3Å
254	V	97.5	Very high	96.9	Very high	36 Å²	36	47.9 Å²	47.9	22%	0.218	25%	0.247	C	C	.	.			trans	-83.8	131.7	170.7	-176.8	0	0	0	0	108.5	R250 M252 D256 K259 R260	R250-V254 WeakPolarHBondContact O-CG2 3.24Å; M252-V254 PolarHBondContact O-N 3.37Å; M252-V254 VanDerWaalsContact O-N 3.14Å; V254-D256 HydrophobicContact CG1-CB 4.44Å; V254-K259 HydrophobicContact CG1-CB 3.78Å; V254-R260 HydrophobicContact CB-CG 3.99Å; V254-R260 PolarHBondContact O-NE 2.86Å; V254-R260 PolarHBondContact O-NH2 3.45Å
255	L	96.3	Very high	96.9	Very high	69 Å²	69	51.1 Å²	51.1	36%	0.361	26%	0.261	S	S	.	.	S	Bend	trans	-57.6	-55.2	-178.1	-67.2	174.4	0	0	0	111.5	P186 W202 V230 L231 P257 R260	P186-L255 HydrophobicContact CB-CD2 4.12Å; P186-L255 HydrophobicContact CG-CD2 3.95Å; W202-L255 HydrophobicContact CH2-CD2 4.2Å; W202-L255 HydrophobicContact CZ3-CD2 4.39Å; V230-L255 VanDerWaalsContact O-CD2 3.29Å; V230-L255 WeakPolarHBondContact O-CD2 3.26Å; L231-L255 WeakPolarHBondContact O-CD1 3.27Å; L255-P257 WeakPolarHBondContact O-CD 3.49Å; L255-R260 PolarHBondContact O-NH2 3.37Å
256	D	95.3	Very high	96.9	Very high	58 Å²	58	51.1 Å²	51.1	31%	0.31	26%	0.261	S	S	.	.	S	Bend	trans	-62.9	116.2	175.4	-177.6	-27	0	0	0	111.4	V254 S258 K259	V254-D256 HydrophobicContact CG1-CB 4.44Å; D256-S258 VanDerWaalsContact C-N 3.26Å; D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD1-CB 3.25Å; D256-S258 PolarHBondContact OD1-N 3.25Å; D256-S258 PolarHBondContact OD1-OG 3.48Å; D256-S258 PolarHBondContact OD2-OG 2.87Å; D256-K259 HydrophobicContact CB-CB 4.22Å; D256-K259 HydrophobicContact CB-CD 4.14Å; D256-K259 HydrophobicContact CB-CG 4.25Å; D256-K259 PolarHBondContact O-N 2.77Å; D256-K259 VanDerWaalsContact O-N 3.14Å; D256-K259 WeakPolarHBondContact OD2-CD 3.15Å; D256-K259 IonicContact OD2-NZ 2.7Å; D256-K259 PolarHBondContact OD2-NZ 3.47Å
257	P	94.6	Very high	96.7	Very high	40 Å²	40	50.7 Å²	50.7	26%	0.26	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-61	-31.6	-177.9	-22	33	0	0	0	113.7	E187 Q198 L255 K259 R260	E187-P257 HydrophobicContact CB-CG 4.43Å; E187-P257 HydrophobicContact CG-CG 4.29Å; E187-P257 WeakPolarHBondContact OE1-CG 3Å; Q198-P257 HydrophobicContact CB-CB 3.98Å; Q198-P257 HydrophobicContact CG-CB 4.24Å; L255-P257 WeakPolarHBondContact O-CD 3.49Å; P257-K259 PolarHBondContact O-N 3.22Å; P257-R260 PolarHBondContact O-N 2.94Å
258	S	93.6	Very high	96.5	Very high	96 Å²	96	54.5 Å²	54.5	67%	0.671	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-71.5	-17.6	-179.6	73.8	0	0	0	0	113.4	D256	D256-S258 VanDerWaalsContact C-N 3.26Å; D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD1-CB 3.25Å; D256-S258 PolarHBondContact OD1-N 3.25Å; D256-S258 PolarHBondContact OD1-OG 3.48Å; D256-S258 PolarHBondContact OD2-OG 2.87Å
259	K	96.3	Very high	96.4	Very high	132 Å²	132	55.4 Å²	55.4	57%	0.574	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-103.2	0.4	-178	-65.7	-178.6	177.4	64.2	0	113.6	V254 D256 P257	V254-K259 HydrophobicContact CG1-CB 3.78Å; D256-K259 HydrophobicContact CB-CB 4.22Å; D256-K259 HydrophobicContact CB-CD 4.14Å; D256-K259 HydrophobicContact CB-CG 4.25Å; D256-K259 PolarHBondContact O-N 2.77Å; D256-K259 VanDerWaalsContact O-N 3.14Å; D256-K259 WeakPolarHBondContact OD2-CD 3.15Å; D256-K259 IonicContact OD2-NZ 2.7Å; D256-K259 PolarHBondContact OD2-NZ 3.47Å; P257-K259 PolarHBondContact O-N 3.22Å
260	R	97.6	Very high	96.3	Very high	15 Å²	15	61.4 Å²	61.4	6%	0.057	31%	0.307	C	S	.	.	S	Bend	trans	-72.1	150.5	171.8	-62.1	178.5	-168.3	150.7	14	110.1	E187 Q198 I201 V254 L255 P257	E187-R260 IonicContact OE1-CZ 2.73Å; E187-R260 IonicContact OE1-NH1 2.64Å; E187-R260 PolarHBondContact OE1-NH1 3.36Å; E187-R260 IonicContact OE1-NH2 2.66Å; E187-R260 PolarHBondContact OE1-NH2 3.26Å; E187-R260 IonicContact OE2-CZ 2.73Å; E187-R260 IonicContact OE2-NH1 2.58Å; E187-R260 PolarHBondContact OE2-NH1 3.1Å; E187-R260 IonicContact OE2-NH2 2.73Å; E187-R260 PolarHBondContact OE2-NH2 3.09Å; Q198-R260 PolarHBondContact O-NH1 3.19Å; I201-R260 HydrophobicContact CG2-CB 4.06Å; V254-R260 HydrophobicContact CB-CG 3.99Å; V254-R260 PolarHBondContact O-NE 2.86Å; V254-R260 PolarHBondContact O-NH2 3.45Å; L255-R260 PolarHBondContact O-NH2 3.37Å; P257-R260 PolarHBondContact O-N 2.94Å
261	L	97.4	Very high	96.2	Very high	24 Å²	24	55.3 Å²	55.3	13%	0.126	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-65.6	137.6	174.3	-63.1	173.3	0	0	0	111.5	L248 R251 Q265 I266	L248-L261 HydrophobicContact CD1-CD1 4.04Å; R251-L261 HydrophobicContact CB-CD1 3.48Å; R251-L261 VanDerWaalsContact CB-CD1 3.48Å; R251-L261 HydrophobicContact CB-CD2 4.34Å; R251-L261 HydrophobicContact CB-CG 3.71Å; R251-L261 HydrophobicContact CG-CD1 4.39Å; R251-L261 PolarHBondContact O-N 2.67Å; R251-L261 VanDerWaalsContact O-N 3.16Å; L261-Q265 HydrophobicContact CB-CB 4.11Å; L261-Q265 HydrophobicContact CD2-CB 3.98Å; L261-I266 HydrophobicContact CB-CD1 4.23Å; L261-I266 HydrophobicContact CB-CG1 3.68Å; L261-I266 HydrophobicContact CD1-CG1 4.18Å
262	S	96.7	Very high	96	Very high	51 Å²	51	49.6 Å²	49.6	36%	0.357	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-70.1	161.4	167.2	75.2	0	0	0	0	111.4	A264 Q265 I266	S262-A264 PolarHBondContact O-N 3.4Å; S262-Q265 PolarHBondContact O-N 2.83Å; S262-Q265 WeakPolarHBondContact OG-CG 3.29Å; S262-Q265 PolarHBondContact OG-N 2.78Å; S262-I266 WeakPolarHBondContact O-CG1 3.49Å; S262-I266 PolarHBondContact O-N 2.88Å
263	L	95.4	Very high	95.4	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-34.2	178.3	-58.9	-173.6	0	0	0	112.8	L128 E132 H135 I201 M204 I266 K267	L128-L263 HydrophobicContact CD1-CB 4.15Å; L128-L263 HydrophobicContact CD1-CD2 3.87Å; L128-L263 HydrophobicContact CD1-CG 4.49Å; E132-L263 HydrophobicContact CB-CD1 3.8Å; E132-L263 HydrophobicContact CG-CD1 4.31Å; H135-L263 HydrophobicContact CB-CD1 4.37Å; I201-L263 HydrophobicContact CD1-CD2 4.17Å; I201-L263 HydrophobicContact CG1-CD2 3.73Å; M204-L263 HydrophobicContact SD-CD2 4.43Å; L263-I266 HydrophobicContact CD2-CD1 4.28Å; L263-I266 PolarHBondContact O-N 3.13Å; L263-K267 WeakPolarHBondContact O-CG 3.33Å; L263-K267 PolarHBondContact O-N 2.76Å
264	A	94.6	Very high	94.3	Very high	51 Å²	51	56.2 Å²	56.2	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-48.6	174	0	0	0	0	0	111.8	S262 I266 K267 E268	S262-A264 PolarHBondContact O-N 3.4Å; A264-I266 VanDerWaalsContact C-N 3.27Å; A264-I266 PolarHBondContact O-N 3.23Å; A264-K267 WeakPolarHBondContact O-CB 3.31Å; A264-K267 PolarHBondContact O-N 2.73Å; A264-K267 VanDerWaalsContact O-N 3.16Å; A264-E268 PolarHBondContact O-N 3.19Å; A264-E268 VanDerWaalsContact O-N 3.12Å
265	Q	97.1	Very high	92.6	Very high	99 Å²	99	58.4 Å²	58.4	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-30.7	177.5	-65.5	168.9	-25.5	0	0	112.5	L261 S262 H269	L261-Q265 HydrophobicContact CB-CB 4.11Å; L261-Q265 HydrophobicContact CD2-CB 3.98Å; S262-Q265 PolarHBondContact O-N 2.83Å; S262-Q265 WeakPolarHBondContact OG-CG 3.29Å; S262-Q265 PolarHBondContact OG-N 2.78Å; Q265-H269 PolarHBondContact O-N 2.98Å; Q265-H269 VanDerWaalsContact O-N 3.14Å
266	I	97.4	Very high	90.7	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-43.1	173.1	-68.3	163.2	0	0	0	110.8	F124 L128 I201 L248 M252 L261 S262 L263 A264 E268 H269 M272	F124-I266 HydrophobicContact CE1-CG2 4.09Å; L128-I266 HydrophobicContact CD1-CG2 4.12Å; L128-I266 HydrophobicContact CD2-CG2 3.84Å; I201-I266 HydrophobicContact CG1-CD1 4.46Å; I201-I266 HydrophobicContact CG2-CD1 4.25Å; L248-I266 HydrophobicContact CD1-CG1 4.37Å; L248-I266 HydrophobicContact CD1-CG2 4.29Å; M252-I266 HydrophobicContact CE-CD1 3.6Å; M252-I266 HydrophobicContact CE-CG1 4.48Å; M252-I266 HydrophobicContact CG-CD1 4.09Å; M252-I266 HydrophobicContact CG-CG1 4.29Å; M252-I266 HydrophobicContact SD-CD1 3.95Å; M252-I266 HydrophobicContact SD-CG1 4.2Å; M252-I266 HydrophobicContact SD-CG2 4.47Å; L261-I266 HydrophobicContact CB-CD1 4.23Å; L261-I266 HydrophobicContact CB-CG1 3.68Å; L261-I266 HydrophobicContact CD1-CG1 4.18Å; S262-I266 WeakPolarHBondContact O-CG1 3.49Å; S262-I266 PolarHBondContact O-N 2.88Å; L263-I266 HydrophobicContact CD2-CD1 4.28Å; L263-I266 PolarHBondContact O-N 3.13Å; A264-I266 VanDerWaalsContact C-N 3.27Å; A264-I266 PolarHBondContact O-N 3.23Å; I266-E268 VanDerWaalsContact C-N 3.33Å; I266-E268 PolarHBondContact O-N 2.74Å; I266-H269 VanDerWaalsContact O-CB 3.26Å; I266-H269 WeakPolarHBondContact O-CB 3.43Å; I266-H269 PolarHBondContact O-N 3.18Å; I266-M272 VanDerWaalsContact O-CG 3.32Å; I266-M272 WeakPolarHBondContact O-CG 3.3Å
267	K	93.6	Very high	88.6	Confident	42 Å²	42	56.9 Å²	56.9	18%	0.183	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-41.2	175.9	-74.8	176.2	166.6	177.4	0	113	W125 L128 E132 L263 A264 H269	W125-K267 HydrophobicContact CH2-CB 4.02Å; W125-K267 HydrophobicContact CH2-CG 4.08Å; W125-K267 HydrophobicContact CZ3-CB 4.35Å; W125-K267 HydrophobicContact CZ3-CG 3.9Å; L128-K267 HydrophobicContact CD2-CG 3.65Å; L128-K267 HydrophobicContact CG-CG 4.25Å; E132-K267 VanDerWaalsContact OE1-CE 3.29Å; E132-K267 WeakPolarHBondContact OE1-CE 3.4Å; E132-K267 IonicContact OE1-NZ 2.79Å; E132-K267 PolarHBondContact OE1-NZ 2.89Å; E132-K267 VanDerWaalsContact OE2-CE 3.32Å; E132-K267 WeakPolarHBondContact OE2-CE 3.44Å; E132-K267 IonicContact OE2-NZ 3.84Å; E132-K267 PolarHBondContact OE2-NZ 3.47Å; L263-K267 WeakPolarHBondContact O-CG 3.33Å; L263-K267 PolarHBondContact O-N 2.76Å; A264-K267 WeakPolarHBondContact O-CB 3.31Å; A264-K267 PolarHBondContact O-N 2.73Å; A264-K267 VanDerWaalsContact O-N 3.16Å; K267-H269 VanDerWaalsContact C-N 3.28Å
268	E	94	Very high	86.3	Confident	157 Å²	157	62.7 Å²	62.7	73%	0.734	35%	0.346	S	S	*	.	H	α-helix	trans	-80.3	-9.8	-178	-68.2	174.4	-178.3	0	0	112.9	A264 I266 K270	A264-E268 PolarHBondContact O-N 3.19Å; A264-E268 VanDerWaalsContact O-N 3.12Å; I266-E268 VanDerWaalsContact C-N 3.33Å; I266-E268 PolarHBondContact O-N 2.74Å; E268-K270 PolarHBondContact O-N 2.92Å
269	H	96.7	Very high	84	Confident	19 Å²	19	66.2 Å²	66.2	9%	0.088	35%	0.352	C	S	.	.	S	Bend	trans	-59.7	135.8	-178.9	-167	-83	0	0	0	112	D244 H247 L248 Q265 I266 K267 W271 M272 A273	D244-H269 PolarHBondContact O-CE1 2.89Å; H247-H269 AromaticContact CE1-NE2 3.75Å; H247-H269 AromaticContact CG-NE2 3.87Å; H247-H269 AromaticContact ND1-CD2 3.95Å; H247-H269 AromaticContact ND1-CE1 3.77Å; H247-H269 AromaticContact ND1-NE2 2.89Å; H247-H269 PolarHBondContact ND1-NE2 3.33Å; L248-H269 HydrophobicContact CD1-CB 4.16Å; Q265-H269 PolarHBondContact O-N 2.98Å; Q265-H269 VanDerWaalsContact O-N 3.14Å; I266-H269 VanDerWaalsContact O-CB 3.26Å; I266-H269 WeakPolarHBondContact O-CB 3.43Å; I266-H269 PolarHBondContact O-N 3.18Å; K267-H269 VanDerWaalsContact C-N 3.28Å; H269-W271 VanDerWaalsContact C-N 3.27Å; H269-W271 PolarHBondContact ND1-N 3.47Å; H269-W271 VanDerWaalsContact ND1-N 3.18Å; H269-W271 PolarHBondContact O-N 2.77Å; H269-W271 VanDerWaalsContact O-N 3.12Å; H269-M272 WeakPolarHBondContact O-CA 3.41Å; H269-M272 WeakPolarHBondContact O-CB 3.42Å; H269-M272 PolarHBondContact O-N 3.14Å; H269-A273 PolarHBondContact O-N 2.91Å
270	K	95.2	Very high	81.5	Confident	125 Å²	125	68.5 Å²	68.5	54%	0.543	36%	0.357	S	S	.	.	H	α-helix	trans	-46.5	-47	-178.9	-178.7	162.1	167.7	-82.5	0	113	D244 E268 M272 A273 L274	D244-K270 VanDerWaalsContact OD1-CD 3.3Å; D244-K270 WeakPolarHBondContact OD1-CD 3.18Å; D244-K270 WeakPolarHBondContact OD1-CG 3.48Å; D244-K270 IonicContact OD1-NZ 2.64Å; D244-K270 PolarHBondContact OD1-NZ 3.49Å; D244-K270 IonicContact OD2-NZ 3.13Å; D244-K270 PolarHBondContact OD2-NZ 3.27Å; E268-K270 PolarHBondContact O-N 2.92Å; K270-M272 VanDerWaalsContact C-N 3.28Å; K270-M272 PolarHBondContact O-N 2.96Å; K270-A273 PolarHBondContact O-N 2.94Å; K270-A273 VanDerWaalsContact O-N 3.12Å; K270-L274 WeakPolarHBondContact O-CG 3.34Å; K270-L274 PolarHBondContact O-N 3.16Å
271	W	96.1	Very high	78.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-55.8	-36.5	175.7	-167.7	78.5	0	0	0	114.4	E117 A120 R121 F124 L208 V212 D244 C245 L248 H269	E117-W271 HydrophobicContact CB-CZ2 3.99Å; E117-W271 HydrophobicContact CG-CZ2 4.32Å; E117-W271 WeakPolarHBondContact O-CZ2 3.4Å; E117-W271 PolarHBondContact OE2-NE1 2.91Å; A120-W271 HydrophobicContact CB-CH2 4.34Å; R121-W271 VanDerWaalsContact CA-CH2 3.43Å; R121-W271 HydrophobicContact CB-CE3 4.48Å; R121-W271 HydrophobicContact CB-CH2 3.58Å; R121-W271 HydrophobicContact CB-CZ2 3.99Å; R121-W271 HydrophobicContact CB-CZ3 3.85Å; R121-W271 WeakPolarHBondContact CD-O 3.19Å; R121-W271 HydrophobicContact CG-CE3 4.28Å; R121-W271 HydrophobicContact CG-CH2 4.24Å; R121-W271 HydrophobicContact CG-CZ3 4.01Å; R121-W271 PolarHBondContact NE-O 2.63Å; F124-W271 HydrophobicContact CB-CZ3 4.43Å; F124-W271 HydrophobicContact CD1-CZ3 4.28Å; L208-W271 HydrophobicContact CD1-CH2 3.55Å; L208-W271 HydrophobicContact CD1-CZ2 4.38Å; L208-W271 HydrophobicContact CD1-CZ3 3.81Å; L208-W271 HydrophobicContact CD2-CZ3 4.32Å; V212-W271 HydrophobicContact CG1-CZ2 4.49Å; D244-W271 HydrophobicContact CB-CB 3.88Å; D244-W271 HydrophobicContact CB-CG 4.34Å; C245-W271 HydrophobicContact CB-CG 4.34Å; L248-W271 HydrophobicContact CD2-CB 4.29Å; L248-W271 HydrophobicContact CD2-CD2 4.28Å; L248-W271 HydrophobicContact CD2-CE3 3.58Å; L248-W271 HydrophobicContact CD2-CZ3 4.26Å; H269-W271 VanDerWaalsContact C-N 3.27Å; H269-W271 PolarHBondContact ND1-N 3.47Å; H269-W271 VanDerWaalsContact ND1-N 3.18Å; H269-W271 PolarHBondContact O-N 2.77Å; H269-W271 VanDerWaalsContact O-N 3.12Å
272	M	93.5	Very high	76.3	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-77.5	-29.8	179	-70.7	-62.1	-86	0	0	112.6	R121 F124 W125 L128 L248 I266 H269 K270	R121-M272 HydrophobicContact CG-SD 4.15Å; F124-M272 HydrophobicContact CD1-CE 3.78Å; F124-M272 HydrophobicContact CD1-SD 3.73Å; F124-M272 HydrophobicContact CE1-SD 4.5Å; W125-M272 HydrophobicContact CB-CE 4.31Å; W125-M272 HydrophobicContact CD2-CE 3.52Å; W125-M272 HydrophobicContact CE3-CE 4.12Å; W125-M272 HydrophobicContact CG-CE 3.59Å; W125-M272 HydrophobicContact CZ2-CB 3.91Å; W125-M272 HydrophobicContact CZ2-CE 4.19Å; W125-M272 PolarHBondContact NE1-O 3.05Å; L128-M272 HydrophobicContact CD2-CE 3.64Å; L248-M272 HydrophobicContact CD2-CG 4.12Å; I266-M272 VanDerWaalsContact O-CG 3.32Å; I266-M272 WeakPolarHBondContact O-CG 3.3Å; H269-M272 WeakPolarHBondContact O-CA 3.41Å; H269-M272 WeakPolarHBondContact O-CB 3.42Å; H269-M272 PolarHBondContact O-N 3.14Å; K270-M272 VanDerWaalsContact C-N 3.28Å; K270-M272 PolarHBondContact O-N 2.96Å
273	A	85.6	Confident	73.7	Confident	54 Å²	54	73.8 Å²	73.8	45%	0.446	39%	0.388	S	S	.	.	H	α-helix	trans	-81.5	-26.3	-179.5	0	0	0	0	0	114.6	H269 K270 D275	H269-A273 PolarHBondContact O-N 2.91Å; K270-A273 PolarHBondContact O-N 2.94Å; K270-A273 VanDerWaalsContact O-N 3.12Å; A273-D275 VanDerWaalsContact C-N 3.32Å; A273-D275 PolarHBondContact O-N 3.47Å
274	L	76.6	Confident	71.3	Confident	93 Å²	93	77.4 Å²	77.4	49%	0.487	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-42.7	-173.8	-83.9	171.9	0	0	0	114.6	K270	K270-L274 WeakPolarHBondContact O-CG 3.34Å; K270-L274 PolarHBondContact O-N 3.16Å
275	D	62	Low	68.5	Low	82 Å²	82	83 Å²	83	44%	0.439	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	75.8	172.1	-63.2	-86.1	0	0	0	109.3	L118 R121 A273 P277	L118-D275 HydrophobicContact CD1-CB 3.7Å; R121-D275 IonicContact CZ-OD2 2.78Å; R121-D275 IonicContact NH1-OD2 3.25Å; R121-D275 PolarHBondContact NH1-OD2 3.1Å; A273-D275 VanDerWaalsContact C-N 3.32Å; A273-D275 PolarHBondContact O-N 3.47Å; D275-P277 VanDerWaalsContact O-CD 3.29Å; D275-P277 WeakPolarHBondContact O-CD 3.23Å
276	V	54.8	Low	65.8	Low	60 Å²	60	82.3 Å²	82.3	36%	0.364	42%	0.415	S	S	.	.			trans	-62.5	118.2	160.6	-178	0	0	0	0	107	R280	V276-R280 HydrophobicContact CG1-CG 3.59Å
277	P	51.9	Low	62.8	Low	36 Å²	36	86.5 Å²	86.5	23%	0.234	44%	0.442	C	S	.	.			trans	-62.3	143.7	178	-16.3	30.1	0	0	0	109.3	R122 D275 Q279 R280	R122-P277 HydrophobicContact CG-CG 4.2Å; D275-P277 VanDerWaalsContact O-CD 3.29Å; D275-P277 WeakPolarHBondContact O-CD 3.23Å; P277-Q279 WeakPolarHBondContact CB-O 3.46Å; P277-Q279 CarbonylContact O-C 3.34Å; P277-Q279 PolarHBondContact O-N 2.87Å; P277-R280 PolarHBondContact O-N 2.7Å
278	V	46.9	Very low	59.9	Low	161 Å²	161	92.1 Å²	92.1	98%	0.976	47%	0.473	S	S	*	.	S	Bend	trans	-55.1	-32.9	-174.9	-179.9	0	0	0	0	111.9
279	Q	44.3	Very low	57.1	Low	170 Å²	170	89.4 Å²	89.4	79%	0.794	47%	0.472	S	S	*	.	S	Bend	trans	-87.2	100.2	154.7	-63	172	12.6	0	0	108.3	P277 P281	P277-Q279 WeakPolarHBondContact CB-O 3.46Å; P277-Q279 CarbonylContact O-C 3.34Å; P277-Q279 PolarHBondContact O-N 2.87Å; Q279-P281 WeakPolarHBondContact O-CD 3.36Å; Q279-P281 VanDerWaalsContact O-N 3.15Å
280	R	43.5	Very low	54	Low	180 Å²	180	92.5 Å²	92.5	68%	0.679	50%	0.5	S	S	*	.			trans	-50.4	125.9	154.5	-80.7	-179.6	173.8	169.3	-2.2	105.2	V276 P277 V282	V276-R280 HydrophobicContact CG1-CG 3.59Å; P277-R280 PolarHBondContact O-N 2.7Å; R280-V282 PolarHBondContact O-N 3.43Å
281	P	44.4	Very low	51.3	Low	36 Å²	36	96.3 Å²	96.3	23%	0.234	52%	0.52	C	S	.	.			trans	-52.9	114.8	160.2	-16.6	29.5	0	0	0	104.1	Q279 L283	Q279-P281 WeakPolarHBondContact O-CD 3.36Å; Q279-P281 VanDerWaalsContact O-N 3.15Å; P281-L283 VanDerWaalsContact C-N 3.32Å; P281-L283 PolarHBondContact O-N 2.67Å
282	V	42.1	Very low	48.3	Very low	111 Å²	111	99.2 Å²	99.2	67%	0.673	55%	0.55	S	S	*	.			trans	-62.4	102	-168.4	176.5	0	0	0	0	106.1	R280 Y284	R280-V282 PolarHBondContact O-N 3.43Å; V282-Y284 VanDerWaalsContact C-N 3.35Å; V282-Y284 VanDerWaalsContact O-CA 3.3Å; V282-Y284 WeakPolarHBondContact O-CA 3.5Å; V282-Y284 PolarHBondContact O-N 3.35Å
283	L	42.7	Very low	45.7	Very low	55 Å²	55	108.4 Å²	108.4	29%	0.288	59%	0.593	S	S	.	*			trans	-52.6	106.2	177.3	-71.8	174.8	0	0	0	104.6	W125 S129 P281 Q285	W125-L283 HydrophobicContact CZ3-CD1 4.46Å; W125-L283 HydrophobicContact CZ3-CD2 4.45Å; S129-L283 WeakPolarHBondContact OG-CD2 3.39Å; P281-L283 VanDerWaalsContact C-N 3.32Å; P281-L283 PolarHBondContact O-N 2.67Å; L283-Q285 PolarHBondContact O-N 3.33Å
284	Y	43.9	Very low	43.6	Very low	95 Å²	95	110.4 Å²	110.4	37%	0.373	60%	0.599	S	S	.	*			trans	-53.9	103.1	-153.5	175.4	-98.4	0	0	0	108.6	Y133 V282 Q286 P287	Y133-Y284 HydrophobicContact CD2-CD1 4.16Å; Y133-Y284 AromaticContact CE2-CD1 3.78Å; Y133-Y284 HydrophobicContact CE2-CD1 3.78Å; Y133-Y284 HydrophobicContact CE2-CE1 4.12Å; V282-Y284 VanDerWaalsContact C-N 3.35Å; V282-Y284 VanDerWaalsContact O-CA 3.3Å; V282-Y284 WeakPolarHBondContact O-CA 3.5Å; V282-Y284 PolarHBondContact O-N 3.35Å; Y284-Q286 PolarHBondContact O-N 2.88Å; Y284-P287 WeakPolarHBondContact OH-CD 3.34Å
285	Q	36.2	Very low	41.7	Very low	167 Å²	167	108.1 Å²	108.1	78%	0.78	60%	0.598	S	S	*	*			trans	-68.9	94.4	176.3	-84.2	-171.7	-32	0	0	104.2	L283 P287	L283-Q285 PolarHBondContact O-N 3.33Å; Q285-P287 WeakPolarHBondContact O-CD 3.41Å; Q285-P287 VanDerWaalsContact O-N 3.07Å
286	Q	39.7	Very low	40.9	Very low	86 Å²	86	109.5 Å²	109.5	40%	0.402	61%	0.609	S	S	.	*			trans	-42.2	117.6	171	174.7	163.7	-19.1	0	0	106.4	R137 Y284 L288	R137-Q286 VanDerWaalsContact NH2-CD 3.3Å; Y284-Q286 PolarHBondContact O-N 2.88Å; Q286-L288 VanDerWaalsContact C-N 3.34Å; Q286-L288 PolarHBondContact O-N 3.49Å
287	P	35.5	Very low	40.6	Very low	87 Å²	87	110 Å²	110	57%	0.565	63%	0.626	S	S	*	*			trans	-51.5	112.5	162.2	-20.4	32	0	0	0	104.4	Y284 Q285 S289	Y284-P287 WeakPolarHBondContact OH-CD 3.34Å; Q285-P287 WeakPolarHBondContact O-CD 3.41Å; Q285-P287 VanDerWaalsContact O-N 3.07Å; P287-S289 PolarHBondContact O-N 3.47Å
288	L	32.5	Very low	41.5	Very low	160 Å²	160	115.4 Å²	115.4	84%	0.838	65%	0.648	S	S	*	*			trans	-61.5	107.4	-175.8	-82.5	166.5	0	0	0	105.8	Q286 A290	Q286-L288 VanDerWaalsContact C-N 3.34Å; Q286-L288 PolarHBondContact O-N 3.49Å; L288-A290 PolarHBondContact O-N 2.96Å
289	S	35.5	Very low	43.3	Very low	101 Å²	101	109.7 Å²	109.7	71%	0.706	61%	0.609	S	S	*	*			trans	-68.6	78.7	171.9	-53.9	0	0	0	0	107.1	P287 E291	P287-S289 PolarHBondContact O-N 3.47Å; S289-E291 PolarHBondContact O-N 3.2Å
290	A	31.6	Very low	45.5	Very low	83 Å²	83	103.5 Å²	103.5	69%	0.686	59%	0.585	S	S	*	*			trans	-53.8	131.5	156	0	0	0	0	0	106.5	L288 G292	L288-A290 PolarHBondContact O-N 2.96Å; A290-G292 VanDerWaalsContact C-N 3.34Å; A290-G292 PolarHBondContact O-N 2.91Å
291	E	37.3	Very low	47.8	Very low	206 Å²	206	99.3 Å²	99.3	96%	0.963	57%	0.573	S	S	*	*	S	Bend	trans	-68.7	98.8	174.5	-63.1	-167.2	135.7	0	0	107.8	S289	S289-E291 PolarHBondContact O-N 3.2Å
292	G	34.4	Very low	50	Low	60 Å²	60	102.2 Å²	102.2	62%	0.619	58%	0.583	S	S	*	*	S	Bend	trans	-171.5	136.4	-171.2	0	0	0	0	0	108.3	A290	A290-G292 VanDerWaalsContact C-N 3.34Å; A290-G292 PolarHBondContact O-N 2.91Å
293	E	38.5	Very low	52.5	Low	194 Å²	194	97 Å²	97	91%	0.907	55%	0.552	S	S	*	*			trans	-50.9	135.9	-162.1	-57.7	178	130.5	0	0	114.5	G295	E293-G295 PolarHBondContact O-N 3.35Å
294	V	40.3	Very low	54.9	Low	95 Å²	95	94.5 Å²	94.5	58%	0.576	54%	0.539	S	S	*	.			trans	-72.1	82.2	174.5	-176.8	0	0	0	0	109.3
295	G	38.2	Very low	57.3	Low	45 Å²	45	96.8 Å²	96.8	46%	0.464	55%	0.547	S	S	.	.			trans	-60	150.4	179.2	0	0	0	0	0	112.7	E293 G297	E293-G295 PolarHBondContact O-N 3.35Å; G295-G297 PolarHBondContact O-N 3.11Å
296	V	44.6	Very low	60	Low	112 Å²	112	92.3 Å²	92.3	68%	0.679	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	24.6	-168.5	-171.2	0	0	0	0	113.7
297	G	49.5	Very low	62.6	Low	69 Å²	69	88.2 Å²	88.2	71%	0.711	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-6.2	-175.2	0	0	0	0	0	116.6	G295	G295-G297 PolarHBondContact O-N 3.11Å
298	E	70.4	Confident	65.4	Low	151 Å²	151	90 Å²	90	71%	0.706	51%	0.509	S	S	*	.			trans	-80.2	-18.5	-172.2	-62	-159.6	132.9	0	0	115.1
299	Y	85.3	Confident	68.4	Low	40 Å²	40	86.4 Å²	86.4	16%	0.157	50%	0.497	C	S	.	.	S	Bend	trans	-79.3	148.7	-172.2	-56.8	-57	0	0	0	112.9	E301 I318 L321 Q322	Y299-E301 PolarHBondContact O-N 3.44Å; Y299-I318 HydrophobicContact CD2-CG1 4.26Å; Y299-I318 HydrophobicContact CD2-CG2 4.26Å; Y299-I318 HydrophobicContact CE2-CG2 3.96Å; Y299-L321 HydrophobicContact CD1-CB 4.42Å; Y299-L321 HydrophobicContact CD1-CD1 3.84Å; Y299-L321 HydrophobicContact CE1-CB 3.75Å; Y299-L321 HydrophobicContact CE1-CD1 4.03Å; Y299-L321 HydrophobicContact CE1-CG 4.48Å; Y299-L321 HydrophobicContact CG-CD1 4.4Å; Y299-Q322 HydrophobicContact CE2-CG 4.19Å; Y299-Q322 WeakPolarHBondContact OH-CG 3.4Å
300	S	90	Very high	71.1	Confident	40 Å²	40	85.5 Å²	85.5	28%	0.28	48%	0.484	S	S	.	.			trans	-74.6	94.7	-177.6	-166.7	0	0	0	0	110.6	Q302 V303 L304 Y333	S300-Q302 PolarHBondContact O-N 2.83Å; S300-V303 CarbonylContact O-C 3.51Å; S300-V303 WeakPolarHBondContact O-CA 3.27Å; S300-V303 WeakPolarHBondContact O-CB 3.41Å; S300-V303 PolarHBondContact O-N 2.91Å; S300-L304 PolarHBondContact O-N 3.28Å; S300-Y333 PolarHBondContact N-OH 3.49Å
301	E	90.8	Very high	74.1	Confident	93 Å²	93	85.1 Å²	85.1	44%	0.435	49%	0.489	S	S	.	.	H	α-helix	trans	-44.6	-36.6	173.5	-93	-60	113.7	0	0	114.5	Y299 V303 R305	Y299-E301 PolarHBondContact O-N 3.44Å; E301-V303 VanDerWaalsContact C-N 3.35Å; E301-R305 WeakPolarHBondContact O-CG 3.46Å; E301-R305 PolarHBondContact O-N 3.47Å; E301-R305 VanDerWaalsContact O-N 3.09Å; E301-R305 IonicContact OE2-CZ 3.86Å; E301-R305 IonicContact OE2-NH1 2.67Å; E301-R305 PolarHBondContact OE2-NH1 3.42Å
302	Q	91.5	Very high	76.9	Confident	96 Å²	96	76.2 Å²	76.2	45%	0.449	45%	0.447	S	S	.	.	H	α-helix	trans	-66.4	-35.7	175.1	-175.6	173.4	11.8	0	0	112.5	S300 L306 L340	S300-Q302 PolarHBondContact O-N 2.83Å; Q302-L306 WeakPolarHBondContact O-CB 3.38Å; Q302-L306 PolarHBondContact O-N 3.39Å; Q302-L340 HydrophobicContact CB-CD2 4.35Å; Q302-L340 HydrophobicContact CG-CD2 4.2Å
303	V	94	Very high	79.7	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.006	44%	0.437	C	S	.	.	H	α-helix	trans	-79.9	-39.2	177.5	177.4	0	0	0	0	111.2	S300 E301 L306 M307 Y333 L336 V337 L340	S300-V303 CarbonylContact O-C 3.51Å; S300-V303 WeakPolarHBondContact O-CA 3.27Å; S300-V303 WeakPolarHBondContact O-CB 3.41Å; S300-V303 PolarHBondContact O-N 2.91Å; E301-V303 VanDerWaalsContact C-N 3.35Å; V303-L306 CarbonylContact O-C 3.59Å; V303-L306 WeakPolarHBondContact O-CB 3.24Å; V303-L306 PolarHBondContact O-N 3.48Å; V303-L306 VanDerWaalsContact O-N 3.14Å; V303-M307 HydrophobicContact CG1-CG 4.36Å; V303-M307 HydrophobicContact CG1-SD 4.08Å; V303-M307 WeakPolarHBondContact O-CG 3.17Å; V303-M307 PolarHBondContact O-N 3.04Å; V303-Y333 HydrophobicContact CB-CD2 4.26Å; V303-Y333 HydrophobicContact CB-CE2 4.09Å; V303-Y333 HydrophobicContact CG1-CD2 3.6Å; V303-Y333 HydrophobicContact CG1-CE2 3.94Å; V303-Y333 HydrophobicContact CG1-CG 4.38Å; V303-L336 HydrophobicContact CG1-CB 3.54Å; V303-L336 HydrophobicContact CG1-CD1 4.05Å; V303-L336 HydrophobicContact CG1-CG 4.46Å; V303-L336 HydrophobicContact CG2-CB 4.45Å; V303-V337 HydrophobicContact CB-CG2 4.34Å; V303-V337 HydrophobicContact CG1-CG2 4.29Å; V303-V337 HydrophobicContact CG2-CG2 3.88Å; V303-L340 HydrophobicContact CG2-CD2 3.94Å
304	L	94.4	Very high	82.4	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.016	41%	0.406	C	S	.	.	H	α-helix	trans	-61.1	-45.9	176.3	-66.3	-178.1	0	0	0	111.7	S300 L306 M307 H308 Q314 T317 I318 Y333	S300-L304 PolarHBondContact O-N 3.28Å; L304-L306 VanDerWaalsContact C-N 3.3Å; L304-L306 PolarHBondContact O-N 3.42Å; L304-M307 PolarHBondContact O-N 2.83Å; L304-H308 PolarHBondContact O-N 3.14Å; L304-Q314 HydrophobicContact CB-CG 4.18Å; L304-Q314 HydrophobicContact CD1-CG 4.46Å; L304-Q314 HydrophobicContact CD2-CG 4.48Å; L304-T317 HydrophobicContact CD2-CG2 3.79Å; L304-I318 HydrophobicContact CD1-CD1 4.12Å; L304-I318 HydrophobicContact CD1-CG1 4.1Å; L304-I318 HydrophobicContact CD2-CG1 4.35Å; L304-Y333 HydrophobicContact CD2-CD2 4Å; L304-Y333 HydrophobicContact CD2-CE2 4.01Å; L304-Y333 HydrophobicContact CG-CE2 4.37Å
305	R	93.4	Very high	84.9	Confident	143 Å²	143	72.4 Å²	72.4	54%	0.54	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-34.4	172.9	-69.6	-168.6	-61.5	-92.4	6.4	113.2	E301 S309	E301-R305 WeakPolarHBondContact O-CG 3.46Å; E301-R305 PolarHBondContact O-N 3.47Å; E301-R305 VanDerWaalsContact O-N 3.09Å; E301-R305 IonicContact OE2-CZ 3.86Å; E301-R305 IonicContact OE2-NH1 2.67Å; E301-R305 PolarHBondContact OE2-NH1 3.42Å; R305-S309 WeakPolarHBondContact O-CB 3.2Å; R305-S309 PolarHBondContact O-N 3.16Å; R305-S309 PolarHBondContact O-OG 3.09Å
306	L	93.2	Very high	87.6	Confident	74 Å²	74	75.5 Å²	75.5	39%	0.387	41%	0.41	S	S	.	.	H	α-helix	trans	-66	-41.8	173.6	178	58.8	0	0	0	111.3	Q302 V303 L304 S309 L310 L336	Q302-L306 WeakPolarHBondContact O-CB 3.38Å; Q302-L306 PolarHBondContact O-N 3.39Å; V303-L306 CarbonylContact O-C 3.59Å; V303-L306 WeakPolarHBondContact O-CB 3.24Å; V303-L306 PolarHBondContact O-N 3.48Å; V303-L306 VanDerWaalsContact O-N 3.14Å; L304-L306 VanDerWaalsContact C-N 3.3Å; L304-L306 PolarHBondContact O-N 3.42Å; L306-S309 WeakPolarHBondContact CA-OG 3.42Å; L306-S309 PolarHBondContact O-N 2.87Å; L306-S309 PolarHBondContact O-OG 3.43Å; L306-L310 HydrophobicContact CD1-CD1 4.21Å; L306-L310 HydrophobicContact CD1-CG 4.45Å; L306-L310 HydrophobicContact CG-CD1 4.11Å; L306-L310 VanDerWaalsContact O-CG 3.28Å; L306-L310 WeakPolarHBondContact O-CG 3.34Å; L306-L310 PolarHBondContact O-N 2.99Å; L306-L310 VanDerWaalsContact O-N 3.09Å; L306-L336 HydrophobicContact CD2-CD1 4.09Å; L306-L336 HydrophobicContact CD2-CD2 3.79Å; L306-L336 HydrophobicContact CD2-CG 4.43Å; L306-L336 HydrophobicContact CG-CD1 4.2Å
307	M	94.9	Very high	90	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-45.5	176.1	-72.3	178.5	69.2	0	0	111.8	V303 L304 S309 L310 G311 I312 T317 F329 I332 Y333 L336	V303-M307 HydrophobicContact CG1-CG 4.36Å; V303-M307 HydrophobicContact CG1-SD 4.08Å; V303-M307 WeakPolarHBondContact O-CG 3.17Å; V303-M307 PolarHBondContact O-N 3.04Å; L304-M307 PolarHBondContact O-N 2.83Å; M307-S309 VanDerWaalsContact C-N 3.31Å; M307-S309 PolarHBondContact O-N 3.35Å; M307-L310 CarbonylContact O-C 3.56Å; M307-L310 WeakPolarHBondContact O-CA 3.39Å; M307-L310 WeakPolarHBondContact O-CB 3.39Å; M307-L310 PolarHBondContact O-N 3.22Å; M307-G311 PolarHBondContact O-N 3.06Å; M307-I312 CarbonylContact C-O 3.44Å; M307-I312 HydrophobicContact CB-CB 4.14Å; M307-I312 HydrophobicContact CB-CD1 4.36Å; M307-I312 HydrophobicContact CE-CB 4.47Å; M307-I312 HydrophobicContact CE-CD1 4.42Å; M307-I312 HydrophobicContact CE-CG2 3.73Å; M307-I312 HydrophobicContact CG-CD1 4.34Å; M307-I312 WeakPolarHBondContact O-CB 3.18Å; M307-I312 PolarHBondContact O-N 3.35Å; M307-T317 HydrophobicContact CE-CG2 3.49Å; M307-T317 VanDerWaalsContact CE-CG2 3.49Å; M307-T317 VanDerWaalsContact CE-OG1 3.25Å; M307-T317 WeakPolarHBondContact CE-OG1 3.15Å; M307-T317 HydrophobicContact SD-CG2 3.82Å; M307-F329 WeakPolarHBondContact CE-O 3.46Å; M307-I332 HydrophobicContact CE-CB 4.05Å; M307-I332 HydrophobicContact CE-CG2 4.07Å; M307-I332 HydrophobicContact CG-CG2 4.44Å; M307-Y333 VanDerWaalsContact SD-CA 3.54Å; M307-Y333 HydrophobicContact SD-CD2 3.95Å; M307-Y333 HydrophobicContact SD-CG 4.29Å; M307-L336 HydrophobicContact CG-CD1 3.51Å; M307-L336 HydrophobicContact SD-CD1 4.27Å
308	H	94.2	Very high	92.2	Very high	124 Å²	124	68.2 Å²	68.2	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-56	-44.8	171.5	-176.6	-80.3	0	0	0	111.7	L304 L310 G311 I312	L304-H308 PolarHBondContact O-N 3.14Å; H308-L310 PolarHBondContact O-N 3.33Å; H308-G311 PolarHBondContact O-N 3.13Å; H308-I312 WeakPolarHBondContact CA-O 3.34Å; H308-I312 PolarHBondContact N-O 3.04Å
309	S	94.6	Very high	93.3	Very high	84 Å²	84	65.2 Å²	65.2	59%	0.587	34%	0.336	S	S	*	.	H	α-helix	trans	-67	-13.8	176.8	75.4	0	0	0	0	114.9	R305 L306 M307	R305-S309 WeakPolarHBondContact O-CB 3.2Å; R305-S309 PolarHBondContact O-N 3.16Å; R305-S309 PolarHBondContact O-OG 3.09Å; L306-S309 WeakPolarHBondContact CA-OG 3.42Å; L306-S309 PolarHBondContact O-N 2.87Å; L306-S309 PolarHBondContact O-OG 3.43Å; M307-S309 VanDerWaalsContact C-N 3.31Å; M307-S309 PolarHBondContact O-N 3.35Å
310	L	93.1	Very high	93.8	Very high	83 Å²	83	63.6 Å²	63.6	44%	0.435	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	7.7	173.6	-68.4	165.2	0	0	0	112.5	I42 L306 M307 H308 I312 L336	I42-L310 HydrophobicContact CG2-CD1 3.96Å; I42-L310 HydrophobicContact CG2-CD2 4.38Å; L306-L310 HydrophobicContact CD1-CD1 4.21Å; L306-L310 HydrophobicContact CD1-CG 4.45Å; L306-L310 HydrophobicContact CG-CD1 4.11Å; L306-L310 VanDerWaalsContact O-CG 3.28Å; L306-L310 WeakPolarHBondContact O-CG 3.34Å; L306-L310 PolarHBondContact O-N 2.99Å; L306-L310 VanDerWaalsContact O-N 3.09Å; M307-L310 CarbonylContact O-C 3.56Å; M307-L310 WeakPolarHBondContact O-CA 3.39Å; M307-L310 WeakPolarHBondContact O-CB 3.39Å; M307-L310 PolarHBondContact O-N 3.22Å; H308-L310 PolarHBondContact O-N 3.33Å; L310-I312 VanDerWaalsContact C-N 3.34Å; L310-I312 HydrophobicContact CB-CD1 3.94Å; L310-I312 HydrophobicContact CB-CG1 4.25Å; L310-I312 HydrophobicContact CD1-CD1 4.46Å; L310-L336 HydrophobicContact CD1-CD1 4.27Å
311	G	93.8	Very high	94	Very high	75 Å²	75	62 Å²	62	77%	0.773	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	18.3	-176.8	0	0	0	0	0	114.2	M307 H308	M307-G311 PolarHBondContact O-N 3.06Å; H308-G311 PolarHBondContact O-N 3.13Å
312	I	95.2	Very high	94.1	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.092	32%	0.318	C	S	.	.			trans	-100.3	124.4	-179.5	-53.1	160.1	0	0	0	108.9	I42 M307 H308 L310 Q314 F329 I332	I42-I312 HydrophobicContact CD1-CD1 4.33Å; M307-I312 CarbonylContact C-O 3.44Å; M307-I312 HydrophobicContact CB-CB 4.14Å; M307-I312 HydrophobicContact CB-CD1 4.36Å; M307-I312 HydrophobicContact CE-CB 4.47Å; M307-I312 HydrophobicContact CE-CD1 4.42Å; M307-I312 HydrophobicContact CE-CG2 3.73Å; M307-I312 HydrophobicContact CG-CD1 4.34Å; M307-I312 WeakPolarHBondContact O-CB 3.18Å; M307-I312 PolarHBondContact O-N 3.35Å; H308-I312 WeakPolarHBondContact CA-O 3.34Å; H308-I312 PolarHBondContact N-O 3.04Å; L310-I312 VanDerWaalsContact C-N 3.34Å; L310-I312 HydrophobicContact CB-CD1 3.94Å; L310-I312 HydrophobicContact CB-CG1 4.25Å; L310-I312 HydrophobicContact CD1-CD1 4.46Å; I312-Q314 PolarHBondContact O-N 3.44Å; I312-F329 HydrophobicContact CG2-CD1 3.58Å; I312-F329 HydrophobicContact CG2-CE1 3.9Å; I312-I332 HydrophobicContact CD1-CD1 4Å; I312-I332 HydrophobicContact CD1-CG2 3.7Å
313	D	95.1	Very high	94.2	Very high	75 Å²	75	62.4 Å²	62.4	40%	0.401	33%	0.325	S	S	.	.			trans	-60.2	125	-177	-172.3	-70.3	0	0	0	112.6	H315 K316 T317 F329	D313-H315 WeakPolarHBondContact OD1-CA 3.42Å; D313-H315 WeakPolarHBondContact OD1-CB 3.49Å; D313-H315 PolarHBondContact OD1-N 3.08Å; D313-K316 HydrophobicContact CB-CB 4.15Å; D313-K316 HydrophobicContact CB-CD 4.3Å; D313-K316 HydrophobicContact CB-CG 4.23Å; D313-K316 PolarHBondContact OD1-N 2.81Å; D313-T317 WeakPolarHBondContact O-CB 3.5Å; D313-T317 PolarHBondContact O-N 3.35Å; D313-T317 VanDerWaalsContact O-N 3.13Å; D313-T317 PolarHBondContact O-OG1 2.9Å; D313-F329 HydrophobicContact CB-CE1 4.46Å
314	Q	93.6	Very high	94.1	Very high	55 Å²	55	69.2 Å²	69.2	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-72.9	-34.1	-177.9	178.9	169.8	-9.5	0	0	112.6	L304 I312 T317 I318	L304-Q314 HydrophobicContact CB-CG 4.18Å; L304-Q314 HydrophobicContact CD1-CG 4.46Å; L304-Q314 HydrophobicContact CD2-CG 4.48Å; I312-Q314 PolarHBondContact O-N 3.44Å; Q314-T317 WeakPolarHBondContact O-CB 3.46Å; Q314-T317 PolarHBondContact O-N 3.41Å; Q314-I318 HydrophobicContact CG-CD1 4Å; Q314-I318 VanDerWaalsContact O-CG1 3.31Å; Q314-I318 WeakPolarHBondContact O-CG1 3.25Å; Q314-I318 PolarHBondContact O-N 3.36Å
315	H	93.3	Very high	94.1	Very high	139 Å²	139	70.8 Å²	70.8	64%	0.644	37%	0.366	S	S	*	.	H	α-helix	trans	-71.8	-48.2	-179.7	-173.5	-19.2	0	0	0	110.9	D313 T317 I318 E319	D313-H315 WeakPolarHBondContact OD1-CA 3.42Å; D313-H315 WeakPolarHBondContact OD1-CB 3.49Å; D313-H315 PolarHBondContact OD1-N 3.08Å; H315-T317 PolarHBondContact O-N 3.38Å; H315-I318 PolarHBondContact O-N 3.06Å; H315-E319 WeakPolarHBondContact O-CB 3.47Å; H315-E319 PolarHBondContact O-N 2.93Å
316	K	95.3	Very high	94.2	Very high	110 Å²	110	65 Å²	65	48%	0.478	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-31.3	173.7	-64.7	-173.5	178.5	-171	0	111.4	D313 S320 F329	D313-K316 HydrophobicContact CB-CB 4.15Å; D313-K316 HydrophobicContact CB-CD 4.3Å; D313-K316 HydrophobicContact CB-CG 4.23Å; D313-K316 PolarHBondContact OD1-N 2.81Å; K316-S320 WeakPolarHBondContact O-CB 3.4Å; K316-S320 PolarHBondContact O-N 2.85Å; K316-S320 PolarHBondContact O-OG 3.46Å; K316-F329 HydrophobicContact CB-CD1 4.28Å; K316-F329 HydrophobicContact CB-CD2 4.35Å; K316-F329 HydrophobicContact CB-CE1 4Å; K316-F329 HydrophobicContact CB-CE2 4.06Å; K316-F329 HydrophobicContact CB-CG 4.47Å; K316-F329 HydrophobicContact CB-CZ 3.89Å; K316-F329 HydrophobicContact CD-CE2 4.32Å; K316-F329 HydrophobicContact CD-CZ 3.89Å
317	T	95.2	Very high	94.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-50.8	172	-62.1	0	0	0	0	112.1	L304 M307 D313 Q314 H315 S320 L321 Y333	L304-T317 HydrophobicContact CD2-CG2 3.79Å; M307-T317 HydrophobicContact CE-CG2 3.49Å; M307-T317 VanDerWaalsContact CE-CG2 3.49Å; M307-T317 VanDerWaalsContact CE-OG1 3.25Å; M307-T317 WeakPolarHBondContact CE-OG1 3.15Å; M307-T317 HydrophobicContact SD-CG2 3.82Å; D313-T317 WeakPolarHBondContact O-CB 3.5Å; D313-T317 PolarHBondContact O-N 3.35Å; D313-T317 VanDerWaalsContact O-N 3.13Å; D313-T317 PolarHBondContact O-OG1 2.9Å; Q314-T317 WeakPolarHBondContact O-CB 3.46Å; Q314-T317 PolarHBondContact O-N 3.41Å; H315-T317 PolarHBondContact O-N 3.38Å; T317-S320 PolarHBondContact O-N 3.46Å; T317-L321 HydrophobicContact CG2-CD1 4.02Å; T317-L321 VanDerWaalsContact O-CG 3.26Å; T317-L321 WeakPolarHBondContact O-CG 3.36Å; T317-L321 PolarHBondContact O-N 2.82Å; T317-L321 VanDerWaalsContact O-N 3.12Å; T317-Y333 HydrophobicContact CG2-CD2 4.36Å
318	I	94.3	Very high	94.5	Very high	28 Å²	28	66.7 Å²	66.7	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-49.3	178.6	-70.8	164	0	0	0	110.5	Y299 L304 Q314 H315 S320 L321 Q322	Y299-I318 HydrophobicContact CD2-CG1 4.26Å; Y299-I318 HydrophobicContact CD2-CG2 4.26Å; Y299-I318 HydrophobicContact CE2-CG2 3.96Å; L304-I318 HydrophobicContact CD1-CD1 4.12Å; L304-I318 HydrophobicContact CD1-CG1 4.1Å; L304-I318 HydrophobicContact CD2-CG1 4.35Å; Q314-I318 HydrophobicContact CG-CD1 4Å; Q314-I318 VanDerWaalsContact O-CG1 3.31Å; Q314-I318 WeakPolarHBondContact O-CG1 3.25Å; Q314-I318 PolarHBondContact O-N 3.36Å; H315-I318 PolarHBondContact O-N 3.06Å; I318-S320 VanDerWaalsContact C-N 3.34Å; I318-S320 PolarHBondContact O-N 2.92Å; I318-L321 WeakPolarHBondContact O-CB 3.46Å; I318-L321 PolarHBondContact O-N 3.41Å; I318-L321 VanDerWaalsContact O-N 3.13Å; I318-Q322 HydrophobicContact CG2-CG 4.33Å; I318-Q322 WeakPolarHBondContact O-CG 3.48Å; I318-Q322 PolarHBondContact O-N 3.15Å
319	E	94.9	Very high	94.7	Very high	88 Å²	88	62.4 Å²	62.4	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-54.3	-47.7	175	178.2	-170.2	-168.4	0	0	111.8	H315 L321 Q322 N323	H315-E319 WeakPolarHBondContact O-CB 3.47Å; H315-E319 PolarHBondContact O-N 2.93Å; E319-L321 PolarHBondContact O-N 2.9Å; E319-Q322 PolarHBondContact O-N 3.19Å; E319-N323 WeakPolarHBondContact CG-ND2 3.43Å; E319-N323 VanDerWaalsContact O-CB 3.3Å; E319-N323 WeakPolarHBondContact O-CB 3.16Å; E319-N323 PolarHBondContact O-N 3.25Å
320	S	95.8	Very high	94.7	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-28.1	-179.4	-65	0	0	0	0	113.6	K316 T317 I318 S325 N327	K316-S320 WeakPolarHBondContact O-CB 3.4Å; K316-S320 PolarHBondContact O-N 2.85Å; K316-S320 PolarHBondContact O-OG 3.46Å; T317-S320 PolarHBondContact O-N 3.46Å; I318-S320 VanDerWaalsContact C-N 3.34Å; I318-S320 PolarHBondContact O-N 2.92Å; S320-S325 PolarHBondContact O-N 2.89Å; S320-S325 VanDerWaalsContact O-N 3.09Å; S320-S325 PolarHBondContact O-OG 3.33Å; S320-N327 WeakPolarHBondContact CB-OD1 3.37Å; S320-N327 PolarHBondContact OG-ND2 3.05Å; S320-N327 PolarHBondContact OG-OD1 3.3Å
321	L	93.4	Very high	95	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-81.9	-43.7	176.1	-66.2	166.7	0	0	0	111.6	Y299 T317 I318 E319 K324 A330 Y333 Y334	Y299-L321 HydrophobicContact CD1-CB 4.42Å; Y299-L321 HydrophobicContact CD1-CD1 3.84Å; Y299-L321 HydrophobicContact CE1-CB 3.75Å; Y299-L321 HydrophobicContact CE1-CD1 4.03Å; Y299-L321 HydrophobicContact CE1-CG 4.48Å; Y299-L321 HydrophobicContact CG-CD1 4.4Å; T317-L321 HydrophobicContact CG2-CD1 4.02Å; T317-L321 VanDerWaalsContact O-CG 3.26Å; T317-L321 WeakPolarHBondContact O-CG 3.36Å; T317-L321 PolarHBondContact O-N 2.82Å; T317-L321 VanDerWaalsContact O-N 3.12Å; I318-L321 WeakPolarHBondContact O-CB 3.46Å; I318-L321 PolarHBondContact O-N 3.41Å; I318-L321 VanDerWaalsContact O-N 3.13Å; E319-L321 PolarHBondContact O-N 2.9Å; L321-K324 PolarHBondContact O-N 3.33Å; L321-A330 HydrophobicContact CD2-CB 4.05Å; L321-Y333 HydrophobicContact CD1-CD1 3.62Å; L321-Y333 HydrophobicContact CD1-CD2 3.91Å; L321-Y333 HydrophobicContact CD1-CE1 3.8Å; L321-Y333 HydrophobicContact CD1-CE2 4.1Å; L321-Y333 HydrophobicContact CD1-CG 3.67Å; L321-Y333 HydrophobicContact CD2-CD1 3.49Å; L321-Y333 VanDerWaalsContact CD2-CD1 3.49Å; L321-Y333 HydrophobicContact CD2-CE1 4.03Å; L321-Y333 HydrophobicContact CD2-CG 4.08Å; L321-Y333 HydrophobicContact CG-CD1 4.2Å; L321-Y333 HydrophobicContact CG-CG 4.45Å; L321-Y334 HydrophobicContact CD2-CE1 3.89Å; L321-Y334 HydrophobicContact CD2-CE2 4.08Å
322	Q	93.1	Very high	95.1	Very high	85 Å²	85	51 Å²	51	40%	0.397	25%	0.247	S	C	.	.	H	α-helix	trans	-58.8	-49.7	174.4	-72.2	175	-46.9	0	0	110.9	Y299 I318 E319 K324	Y299-Q322 HydrophobicContact CE2-CG 4.19Å; Y299-Q322 WeakPolarHBondContact OH-CG 3.4Å; I318-Q322 HydrophobicContact CG2-CG 4.33Å; I318-Q322 WeakPolarHBondContact O-CG 3.48Å; I318-Q322 PolarHBondContact O-N 3.15Å; E319-Q322 PolarHBondContact O-N 3.19Å; Q322-K324 PolarHBondContact O-N 3.01Å; Q322-K324 VanDerWaalsContact O-N 3.15Å
323	N	93.1	Very high	95.2	Very high	112 Å²	112	51.1 Å²	51.1	60%	0.599	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	1.4	-179.7	-66.3	-18.4	0	0	0	113.8	E319 S325	E319-N323 WeakPolarHBondContact CG-ND2 3.43Å; E319-N323 VanDerWaalsContact O-CB 3.3Å; E319-N323 WeakPolarHBondContact O-CB 3.16Å; E319-N323 PolarHBondContact O-N 3.25Å; N323-S325 PolarHBondContact O-N 2.82Å; N323-S325 VanDerWaalsContact O-N 3.09Å
324	K	92.2	Very high	95.2	Very high	143 Å²	143	49.5 Å²	49.5	62%	0.622	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.5	45.4	-177.5	-62.6	174.7	-175.2	170.7	0	112.2	K73 L321 Q322 Y326	K73-K324 PolarHBondContact NZ-O 3.47Å; L321-K324 PolarHBondContact O-N 3.33Å; Q322-K324 PolarHBondContact O-N 3.01Å; Q322-K324 VanDerWaalsContact O-N 3.15Å; K324-Y326 HydrophobicContact CB-CE2 4.35Å; K324-Y326 VanDerWaalsContact O-CD2 3.23Å; K324-Y326 WeakPolarHBondContact O-CD2 3.45Å; K324-Y326 PolarHBondContact O-N 3.08Å
325	S	93.8	Very high	95.4	Very high	37 Å²	37	46.9 Å²	46.9	26%	0.259	22%	0.222	S	C	.	.			trans	-67.2	-38.1	-171.2	61.9	0	0	0	0	112.4	K73 S320 N323 N327	K73-S325 PolarHBondContact NZ-O 2.87Å; S320-S325 PolarHBondContact O-N 2.89Å; S320-S325 VanDerWaalsContact O-N 3.09Å; S320-S325 PolarHBondContact O-OG 3.33Å; N323-S325 PolarHBondContact O-N 2.82Å; N323-S325 VanDerWaalsContact O-N 3.09Å; S325-N327 PolarHBondContact OG-N 2.92Å; S325-N327 PolarHBondContact OG-ND2 2.86Å; S325-N327 PolarHBondContact OG-OD1 3.24Å
326	Y	96.8	Very high	95.4	Very high	20 Å²	20	40.8 Å²	40.8	8%	0.078	19%	0.194	C	C	.	.			trans	55.8	36.7	-164.7	-64.3	-100.5	0	0	0	112.4	K73 L83 Q85 V86 K324 Y334	K73-Y326 HydrophobicContact CB-CD2 4.36Å; K73-Y326 HydrophobicContact CB-CE2 3.77Å; K73-Y326 HydrophobicContact CD-CD2 3.6Å; K73-Y326 HydrophobicContact CD-CE2 3.84Å; K73-Y326 HydrophobicContact CD-CG 4.45Å; K73-Y326 VanDerWaalsContact CE-CD2 3.42Å; K73-Y326 HydrophobicContact CG-CD2 3.58Å; K73-Y326 HydrophobicContact CG-CE2 3.49Å; K73-Y326 VanDerWaalsContact CG-CE2 3.49Å; K73-Y326 HydrophobicContact CG-CG 4.24Å; K73-Y326 PolarHBondContact O-OH 3.42Å; K73-Y326 VanDerWaalsContact O-OH 3.09Å; L83-Y326 HydrophobicContact CB-CD1 4.36Å; L83-Y326 HydrophobicContact CB-CE1 4.12Å; L83-Y326 HydrophobicContact CD2-CD1 3.85Å; L83-Y326 HydrophobicContact CD2-CE1 4.03Å; L83-Y326 HydrophobicContact CD2-CG 4.26Å; L83-Y326 HydrophobicContact CG-CD1 3.85Å; L83-Y326 HydrophobicContact CG-CE1 4.09Å; L83-Y326 WeakPolarHBondContact O-CE1 3.47Å; Q85-Y326 WeakPolarHBondContact CA-O 3.42Å; Q85-Y326 WeakPolarHBondContact CG-O 3.36Å; V86-Y326 PolarHBondContact N-O 2.95Å; K324-Y326 HydrophobicContact CB-CE2 4.35Å; K324-Y326 VanDerWaalsContact O-CD2 3.23Å; K324-Y326 WeakPolarHBondContact O-CD2 3.45Å; K324-Y326 PolarHBondContact O-N 3.08Å; Y326-Y334 HydrophobicContact CE1-CE2 4.43Å
327	N	96.9	Very high	95.3	Very high	46 Å²	46	36.7 Å²	36.7	25%	0.246	18%	0.178	C	C	.	.	S	Bend	trans	-82.3	-173.8	168.9	72.6	14.2	0	0	0	111.6	S320 S325 F329 A330 A331	S320-N327 WeakPolarHBondContact CB-OD1 3.37Å; S320-N327 PolarHBondContact OG-ND2 3.05Å; S320-N327 PolarHBondContact OG-OD1 3.3Å; S325-N327 PolarHBondContact OG-N 2.92Å; S325-N327 PolarHBondContact OG-ND2 2.86Å; S325-N327 PolarHBondContact OG-OD1 3.24Å; N327-F329 PolarHBondContact O-N 3.43Å; N327-F329 WeakPolarHBondContact OD1-CB 3.1Å; N327-F329 PolarHBondContact OD1-N 2.84Å; N327-A330 PolarHBondContact O-N 3.05Å; N327-A330 PolarHBondContact OD1-N 2.99Å; N327-A330 VanDerWaalsContact OD1-N 3.13Å; N327-A331 WeakPolarHBondContact O-CB 3.47Å; N327-A331 PolarHBondContact O-N 3.23Å
328	H	97	Very high	95	Very high	64 Å²	64	39 Å²	39	30%	0.296	19%	0.189	S	C	.	.	H	α-helix	trans	-65.4	-35.8	-177.4	66.7	-96.9	0	0	0	113.7	F20 A331 I332	F20-H328 HydrophobicContact CD2-CB 3.86Å; F20-H328 HydrophobicContact CE2-CB 3.82Å; F20-H328 AromaticContact CE2-CD2 3.75Å; F20-H328 AromaticContact CE2-CG 3.75Å; H328-A331 PolarHBondContact O-N 2.99Å; H328-I332 VanDerWaalsContact O-CD1 3.25Å; H328-I332 WeakPolarHBondContact O-CD1 3.47Å; H328-I332 WeakPolarHBondContact O-CG1 3.47Å; H328-I332 PolarHBondContact O-N 2.7Å
329	F	97.3	Very high	94.8	Very high	35 Å²	35	42.7 Å²	42.7	15%	0.154	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-50.1	176.3	-63.3	-79.8	0	0	0	111.2	M307 I312 D313 K316 N327 A331 I332 Y333	M307-F329 WeakPolarHBondContact CE-O 3.46Å; I312-F329 HydrophobicContact CG2-CD1 3.58Å; I312-F329 HydrophobicContact CG2-CE1 3.9Å; D313-F329 HydrophobicContact CB-CE1 4.46Å; K316-F329 HydrophobicContact CB-CD1 4.28Å; K316-F329 HydrophobicContact CB-CD2 4.35Å; K316-F329 HydrophobicContact CB-CE1 4Å; K316-F329 HydrophobicContact CB-CE2 4.06Å; K316-F329 HydrophobicContact CB-CG 4.47Å; K316-F329 HydrophobicContact CB-CZ 3.89Å; K316-F329 HydrophobicContact CD-CE2 4.32Å; K316-F329 HydrophobicContact CD-CZ 3.89Å; N327-F329 PolarHBondContact O-N 3.43Å; N327-F329 WeakPolarHBondContact OD1-CB 3.1Å; N327-F329 PolarHBondContact OD1-N 2.84Å; F329-A331 VanDerWaalsContact C-N 3.34Å; F329-A331 PolarHBondContact O-N 3.15Å; F329-I332 PolarHBondContact O-N 3.2Å; F329-Y333 PolarHBondContact O-N 3.25Å; F329-Y333 VanDerWaalsContact O-N 3.08Å
330	A	96.6	Very high	94.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-43	176.8	0	0	0	0	0	111.8	L321 N327 Y333 Y334	L321-A330 HydrophobicContact CD2-CB 4.05Å; N327-A330 PolarHBondContact O-N 3.05Å; N327-A330 PolarHBondContact OD1-N 2.99Å; N327-A330 VanDerWaalsContact OD1-N 3.13Å; A330-Y333 WeakPolarHBondContact O-CB 3.29Å; A330-Y333 PolarHBondContact O-N 2.82Å; A330-Y334 HydrophobicContact CB-CE2 4.11Å; A330-Y334 WeakPolarHBondContact O-CD2 3.33Å; A330-Y334 PolarHBondContact O-N 3.29Å
331	A	97.6	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-45.9	177.8	0	0	0	0	0	112.7	Y84 Q85 N327 H328 F329 Y333 Y334 L335	Y84-A331 WeakPolarHBondContact O-CA 3.07Å; Y84-A331 WeakPolarHBondContact O-CB 3.5Å; Q85-A331 HydrophobicContact CB-CB 3.72Å; Q85-A331 HydrophobicContact CG-CB 3.88Å; N327-A331 WeakPolarHBondContact O-CB 3.47Å; N327-A331 PolarHBondContact O-N 3.23Å; H328-A331 PolarHBondContact O-N 2.99Å; F329-A331 VanDerWaalsContact C-N 3.34Å; F329-A331 PolarHBondContact O-N 3.15Å; A331-Y333 VanDerWaalsContact C-N 3.32Å; A331-Y333 PolarHBondContact O-N 2.84Å; A331-Y334 PolarHBondContact O-N 2.72Å; A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 WeakPolarHBondContact O-CG 3.38Å; A331-L335 PolarHBondContact O-N 3.4Å
332	I	97.3	Very high	93.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-43.3	177.6	-60	154.3	0	0	0	110.2	I42 T43 M307 I312 H328 F329 L335 L336	I42-I332 HydrophobicContact CD1-CD1 3.95Å; I42-I332 HydrophobicContact CD1-CG1 4.38Å; T43-I332 HydrophobicContact CG2-CG2 4.11Å; M307-I332 HydrophobicContact CE-CB 4.05Å; M307-I332 HydrophobicContact CE-CG2 4.07Å; M307-I332 HydrophobicContact CG-CG2 4.44Å; I312-I332 HydrophobicContact CD1-CD1 4Å; I312-I332 HydrophobicContact CD1-CG2 3.7Å; H328-I332 VanDerWaalsContact O-CD1 3.25Å; H328-I332 WeakPolarHBondContact O-CD1 3.47Å; H328-I332 WeakPolarHBondContact O-CG1 3.47Å; H328-I332 PolarHBondContact O-N 2.7Å; F329-I332 PolarHBondContact O-N 3.2Å; I332-L335 PolarHBondContact O-N 2.81Å; I332-L336 HydrophobicContact CG2-CD1 3.99Å; I332-L336 HydrophobicContact CG2-CG 4.38Å; I332-L336 WeakPolarHBondContact O-CB 3.23Å; I332-L336 WeakPolarHBondContact O-CG 3.36Å; I332-L336 PolarHBondContact O-N 3.47Å
333	Y	96.9	Very high	92.5	Very high	19 Å²	19	50 Å²	50	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-53.1	176.1	175.5	-94.9	0	0	0	112.1	S300 V303 L304 M307 T317 L321 F329 A330 A331 L335 L336 V337	S300-Y333 PolarHBondContact N-OH 3.49Å; V303-Y333 HydrophobicContact CB-CD2 4.26Å; V303-Y333 HydrophobicContact CB-CE2 4.09Å; V303-Y333 HydrophobicContact CG1-CD2 3.6Å; V303-Y333 HydrophobicContact CG1-CE2 3.94Å; V303-Y333 HydrophobicContact CG1-CG 4.38Å; L304-Y333 HydrophobicContact CD2-CD2 4Å; L304-Y333 HydrophobicContact CD2-CE2 4.01Å; L304-Y333 HydrophobicContact CG-CE2 4.37Å; M307-Y333 VanDerWaalsContact SD-CA 3.54Å; M307-Y333 HydrophobicContact SD-CD2 3.95Å; M307-Y333 HydrophobicContact SD-CG 4.29Å; T317-Y333 HydrophobicContact CG2-CD2 4.36Å; L321-Y333 HydrophobicContact CD1-CD1 3.62Å; L321-Y333 HydrophobicContact CD1-CD2 3.91Å; L321-Y333 HydrophobicContact CD1-CE1 3.8Å; L321-Y333 HydrophobicContact CD1-CE2 4.1Å; L321-Y333 HydrophobicContact CD1-CG 3.67Å; L321-Y333 HydrophobicContact CD2-CD1 3.49Å; L321-Y333 VanDerWaalsContact CD2-CD1 3.49Å; L321-Y333 HydrophobicContact CD2-CE1 4.03Å; L321-Y333 HydrophobicContact CD2-CG 4.08Å; L321-Y333 HydrophobicContact CG-CD1 4.2Å; L321-Y333 HydrophobicContact CG-CG 4.45Å; F329-Y333 PolarHBondContact O-N 3.25Å; F329-Y333 VanDerWaalsContact O-N 3.08Å; A330-Y333 WeakPolarHBondContact O-CB 3.29Å; A330-Y333 PolarHBondContact O-N 2.82Å; A331-Y333 VanDerWaalsContact C-N 3.32Å; A331-Y333 PolarHBondContact O-N 2.84Å; Y333-L335 PolarHBondContact O-N 3.34Å; Y333-L336 PolarHBondContact O-N 3.49Å; Y333-V337 HydrophobicContact CD1-CG2 4.1Å; Y333-V337 HydrophobicContact CD2-CG2 4.43Å; Y333-V337 HydrophobicContact CE1-CG2 3.7Å; Y333-V337 HydrophobicContact CE2-CG2 4.04Å; Y333-V337 HydrophobicContact CG-CG2 4.46Å; Y333-V337 WeakPolarHBondContact O-CG2 3.45Å; Y333-V337 PolarHBondContact O-N 2.72Å
334	Y	95.5	Very high	91.7	Very high	41 Å²	41	52 Å²	52	16%	0.161	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-43.5	-179	-65.4	-50.4	0	0	0	112.2	L321 Y326 A330 A331 L336 V337 E338	L321-Y334 HydrophobicContact CD2-CE1 3.89Å; L321-Y334 HydrophobicContact CD2-CE2 4.08Å; Y326-Y334 HydrophobicContact CE1-CE2 4.43Å; A330-Y334 HydrophobicContact CB-CE2 4.11Å; A330-Y334 WeakPolarHBondContact O-CD2 3.33Å; A330-Y334 PolarHBondContact O-N 3.29Å; A331-Y334 PolarHBondContact O-N 2.72Å; Y334-L336 VanDerWaalsContact C-N 3.29Å; Y334-L336 PolarHBondContact O-N 2.78Å; Y334-V337 PolarHBondContact O-N 2.81Å; Y334-E338 PolarHBondContact O-N 3.25Å
335	L	96.4	Very high	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-30.1	177.6	-68.2	171.8	0	0	0	112.9	Y21 H40 T43 T45 V47 Y84 A331 I332 Y333 R339	Y21-L335 HydrophobicContact CE1-CD1 4.47Å; H40-L335 HydrophobicContact CB-CD1 3.99Å; T43-L335 HydrophobicContact CG2-CB 4.01Å; T45-L335 HydrophobicContact CG2-CD2 3.85Å; V47-L335 HydrophobicContact CG1-CD1 4.41Å; V47-L335 HydrophobicContact CG1-CD2 3.78Å; Y84-L335 HydrophobicContact CD1-CD2 4.19Å; Y84-L335 HydrophobicContact CD1-CG 4.5Å; Y84-L335 HydrophobicContact CD2-CD2 3.69Å; Y84-L335 HydrophobicContact CD2-CG 4.42Å; Y84-L335 HydrophobicContact CE1-CD2 4.14Å; Y84-L335 HydrophobicContact CE2-CD2 3.62Å; Y84-L335 HydrophobicContact CG-CD2 3.96Å; Y84-L335 HydrophobicContact CG-CG 4.29Å; A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 WeakPolarHBondContact O-CG 3.38Å; A331-L335 PolarHBondContact O-N 3.4Å; I332-L335 PolarHBondContact O-N 2.81Å; Y333-L335 PolarHBondContact O-N 3.34Å; L335-R339 VanDerWaalsContact O-CB 3.31Å; L335-R339 WeakPolarHBondContact O-CB 3.02Å; L335-R339 PolarHBondContact O-N 3.26Å
336	L	95	Very high	88.6	Confident	12 Å²	12	52 Å²	52	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-77.1	-40.5	172.6	-74.4	176.7	0	0	0	112.7	T43 V303 L306 M307 L310 I332 Y333 Y334 E338 R339 L340	T43-L336 HydrophobicContact CG2-CD2 3.58Å; T43-L336 HydrophobicContact CG2-CG 3.61Å; V303-L336 HydrophobicContact CG1-CB 3.54Å; V303-L336 HydrophobicContact CG1-CD1 4.05Å; V303-L336 HydrophobicContact CG1-CG 4.46Å; V303-L336 HydrophobicContact CG2-CB 4.45Å; L306-L336 HydrophobicContact CD2-CD1 4.09Å; L306-L336 HydrophobicContact CD2-CD2 3.79Å; L306-L336 HydrophobicContact CD2-CG 4.43Å; L306-L336 HydrophobicContact CG-CD1 4.2Å; M307-L336 HydrophobicContact CG-CD1 3.51Å; M307-L336 HydrophobicContact SD-CD1 4.27Å; L310-L336 HydrophobicContact CD1-CD1 4.27Å; I332-L336 HydrophobicContact CG2-CD1 3.99Å; I332-L336 HydrophobicContact CG2-CG 4.38Å; I332-L336 WeakPolarHBondContact O-CB 3.23Å; I332-L336 WeakPolarHBondContact O-CG 3.36Å; I332-L336 PolarHBondContact O-N 3.47Å; Y333-L336 PolarHBondContact O-N 3.49Å; Y334-L336 VanDerWaalsContact C-N 3.29Å; Y334-L336 PolarHBondContact O-N 2.78Å; L336-E338 VanDerWaalsContact C-N 3.32Å; L336-E338 PolarHBondContact O-N 2.83Å; L336-R339 PolarHBondContact O-N 3.11Å; L336-L340 WeakPolarHBondContact O-CB 3.21Å; L336-L340 PolarHBondContact O-N 3.38Å
337	V	92.3	Very high	86.3	Confident	23 Å²	23	58.6 Å²	58.6	14%	0.139	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-45.6	174.1	167.5	0	0	0	0	110.6	V303 Y333 Y334 L340 K341	V303-V337 HydrophobicContact CB-CG2 4.34Å; V303-V337 HydrophobicContact CG1-CG2 4.29Å; V303-V337 HydrophobicContact CG2-CG2 3.88Å; Y333-V337 HydrophobicContact CD1-CG2 4.1Å; Y333-V337 HydrophobicContact CD2-CG2 4.43Å; Y333-V337 HydrophobicContact CE1-CG2 3.7Å; Y333-V337 HydrophobicContact CE2-CG2 4.04Å; Y333-V337 HydrophobicContact CG-CG2 4.46Å; Y333-V337 WeakPolarHBondContact O-CG2 3.45Å; Y333-V337 PolarHBondContact O-N 2.72Å; Y334-V337 PolarHBondContact O-N 2.81Å; V337-L340 PolarHBondContact O-N 3.1Å; V337-K341 HydrophobicContact CG1-CD 4.21Å; V337-K341 WeakPolarHBondContact O-CG 3.48Å; V337-K341 PolarHBondContact O-N 2.94Å
338	E	89.1	Confident	83.9	Confident	50 Å²	50	61.7 Å²	61.7	23%	0.234	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-42.3	178	-73.2	-178.4	-180	0	0	112.7	K82 Y84 Y334 L336 L340 K341 A342	K82-E338 WeakPolarHBondContact CD-OE1 3.15Å; Y84-E338 WeakPolarHBondContact CE1-OE1 3.35Å; Y84-E338 WeakPolarHBondContact CE1-OE2 3.38Å; Y84-E338 VanDerWaalsContact CZ-OE2 3.31Å; Y84-E338 PolarHBondContact OH-OE2 3.31Å; Y334-E338 PolarHBondContact O-N 3.25Å; L336-E338 VanDerWaalsContact C-N 3.32Å; L336-E338 PolarHBondContact O-N 2.83Å; E338-L340 VanDerWaalsContact C-N 3.27Å; E338-L340 PolarHBondContact O-N 3.28Å; E338-K341 PolarHBondContact O-N 3.17Å; E338-A342 WeakPolarHBondContact O-CB 3.44Å; E338-A342 PolarHBondContact O-N 2.61Å
339	R	88.9	Confident	81.4	Confident	104 Å²	104	64.9 Å²	64.9	39%	0.392	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-40.5	173.8	-179.8	169.4	172	148.1	6.1	111.4	T43 L335 L336 A342 H343	T43-R339 PolarHBondContact O-NH1 2.92Å; L335-R339 VanDerWaalsContact O-CB 3.31Å; L335-R339 WeakPolarHBondContact O-CB 3.02Å; L335-R339 PolarHBondContact O-N 3.26Å; L336-R339 PolarHBondContact O-N 3.11Å; R339-A342 PolarHBondContact O-N 2.69Å; R339-H343 WeakPolarHBondContact CG-NE2 3.42Å; R339-H343 PolarHBondContact NE-NE2 2.94Å; R339-H343 PolarHBondContact NH2-NE2 3.37Å; R339-H343 VanDerWaalsContact NH2-NE2 3.13Å; R339-H343 PolarHBondContact O-CD2 2.75Å; R339-H343 PolarHBondContact O-N 3.37Å
340	L	86.7	Confident	78.6	Confident	37 Å²	37	71 Å²	71	19%	0.194	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-41.7	175.8	-177.4	64.1	0	0	0	112.1	Q302 V303 L336 V337 E338 R344	Q302-L340 HydrophobicContact CB-CD2 4.35Å; Q302-L340 HydrophobicContact CG-CD2 4.2Å; V303-L340 HydrophobicContact CG2-CD2 3.94Å; L336-L340 WeakPolarHBondContact O-CB 3.21Å; L336-L340 PolarHBondContact O-N 3.38Å; V337-L340 PolarHBondContact O-N 3.1Å; E338-L340 VanDerWaalsContact C-N 3.27Å; E338-L340 PolarHBondContact O-N 3.28Å; L340-R344 WeakPolarHBondContact O-CG 3.32Å; L340-R344 PolarHBondContact O-N 3.28Å; L340-R344 VanDerWaalsContact O-N 3.11Å
341	K	83.3	Confident	75.9	Confident	130 Å²	130	79.7 Å²	79.7	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-59.7	-49.2	172.9	-73.6	171.8	179	179.5	0	111.2	V337 E338 H343 R344 C345	V337-K341 HydrophobicContact CG1-CD 4.21Å; V337-K341 WeakPolarHBondContact O-CG 3.48Å; V337-K341 PolarHBondContact O-N 2.94Å; E338-K341 PolarHBondContact O-N 3.17Å; K341-H343 PolarHBondContact O-N 2.85Å; K341-R344 PolarHBondContact O-N 3.14Å; K341-R344 VanDerWaalsContact O-N 3.14Å; K341-C345 PolarHBondContact O-N 3.29Å; K341-C345 PolarHBondContact O-SG 3.01Å; K341-C345 VanDerWaalsContact O-SG 3.34Å
342	A	81.1	Confident	73.1	Confident	55 Å²	55	88.1 Å²	88.1	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-41.2	179.6	0	0	0	0	0	113.1	E338 R339 C345 S346	E338-A342 WeakPolarHBondContact O-CB 3.44Å; E338-A342 PolarHBondContact O-N 2.61Å; R339-A342 PolarHBondContact O-N 2.69Å; A342-C345 PolarHBondContact O-N 2.72Å; A342-S346 PolarHBondContact O-N 3.22Å; A342-S346 PolarHBondContact O-OG 3.19Å
343	H	79.7	Confident	70.6	Confident	118 Å²	118	95.4 Å²	95.4	55%	0.546	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-39.6	173.5	-81.9	-61.6	0	0	0	112.4	R339 K341 S346	R339-H343 WeakPolarHBondContact CG-NE2 3.42Å; R339-H343 PolarHBondContact NE-NE2 2.94Å; R339-H343 PolarHBondContact NH2-NE2 3.37Å; R339-H343 VanDerWaalsContact NH2-NE2 3.13Å; R339-H343 PolarHBondContact O-CD2 2.75Å; R339-H343 PolarHBondContact O-N 3.37Å; K341-H343 PolarHBondContact O-N 2.85Å; H343-S346 WeakPolarHBondContact O-CB 3.28Å; H343-S346 PolarHBondContact O-N 3.08Å
344	R	74.9	Confident	68.1	Low	156 Å²	156	99.7 Å²	99.7	59%	0.589	50%	0.498	S	S	*	.	H	α-helix	trans	-67.1	-39.7	174.8	-69.8	178.7	-175.5	-168.1	3	112.2	L340 K341 S346 F347	L340-R344 WeakPolarHBondContact O-CG 3.32Å; L340-R344 PolarHBondContact O-N 3.28Å; L340-R344 VanDerWaalsContact O-N 3.11Å; K341-R344 PolarHBondContact O-N 3.14Å; K341-R344 VanDerWaalsContact O-N 3.14Å; R344-S346 PolarHBondContact O-N 2.89Å; R344-F347 CarbonylContact O-C 3.58Å; R344-F347 PolarHBondContact O-N 3.29Å; R344-F347 VanDerWaalsContact O-O 3.12Å
345	C	61.4	Low	65.6	Low	101 Å²	101	102.1 Å²	102.1	68%	0.682	53%	0.527	S	S	*	.	H	α-helix	trans	-67.3	-23.4	175.2	-64.5	0	0	0	0	113.4	K341 A342 F347	K341-C345 PolarHBondContact O-N 3.29Å; K341-C345 PolarHBondContact O-SG 3.01Å; K341-C345 VanDerWaalsContact O-SG 3.34Å; A342-C345 PolarHBondContact O-N 2.72Å; C345-F347 VanDerWaalsContact C-N 3.3Å
346	S	59.5	Low	63.3	Low	78 Å²	78	113.4 Å²	113.4	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-76.2	-17.3	177.4	-58.1	0	0	0	0	113.2	A342 H343 R344	A342-S346 PolarHBondContact O-N 3.22Å; A342-S346 PolarHBondContact O-OG 3.19Å; H343-S346 WeakPolarHBondContact O-CB 3.28Å; H343-S346 PolarHBondContact O-N 3.08Å; R344-S346 PolarHBondContact O-N 2.89Å
347	F	49.6	Very low	61	Low	159 Å²	159	120.8 Å²	120.8	70%	0.697	60%	0.603	S	S	*	*	S	Bend	trans	-132.8	82.5	174.8	-64.5	-81.6	0	0	0	109.8	R344 C345 V349	R344-F347 CarbonylContact O-C 3.58Å; R344-F347 PolarHBondContact O-N 3.29Å; R344-F347 VanDerWaalsContact O-O 3.12Å; C345-F347 VanDerWaalsContact C-N 3.3Å; F347-V349 PolarHBondContact O-N 3.14Å
348	P	46.6	Very low	58.7	Low	110 Å²	110	127 Å²	127	71%	0.714	62%	0.624	S	S	*	*			trans	-56.9	109.8	170.3	-21	32.9	0	0	0	109.1	E350	P348-E350 PolarHBondContact O-N 2.88Å
349	V	43.4	Very low	56.8	Low	131 Å²	131	135.6 Å²	135.6	79%	0.794	66%	0.655	S	S	*	*			trans	-67.1	103.1	164.1	175.4	0	0	0	0	105.5	F347 Q351	F347-V349 PolarHBondContact O-N 3.14Å; V349-Q351 PolarHBondContact O-N 3.28Å
350	E	38.9	Very low	54.9	Low	163 Å²	163	134 Å²	134	76%	0.762	66%	0.657	S	S	*	*			trans	-50.6	116	168	-70.9	-173	131	0	0	107.8	P348 R352	P348-E350 PolarHBondContact O-N 2.88Å; E350-R352 PolarHBondContact O-N 2.9Å
351	Q	39.7	Very low	53.5	Low	184 Å²	184	137.4 Å²	137.4	86%	0.86	69%	0.685	S	S	*	*			trans	-67	88	166.3	-77.4	-172.6	-16.3	0	0	107	V349 L353	V349-Q351 PolarHBondContact O-N 3.28Å; Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 3.14Å
352	R	38	Very low	52.7	Low	177 Å²	177	134.9 Å²	134.9	67%	0.668	68%	0.68	S	S	*	*			trans	-56.5	98.2	168.1	-84.2	-176.6	165.3	-177.1	-7.4	108.1	E350	E350-R352 PolarHBondContact O-N 2.9Å
353	L	45.5	Very low	51.6	Low	156 Å²	156	139 Å²	139	82%	0.817	69%	0.693	S	S	*	*	S	Bend	trans	-47.7	150.2	154.5	-60.2	173.8	0	0	0	108.3	Q351	Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 3.14Å
354	D	44.2	Very low	50.2	Low	109 Å²	109	136.5 Å²	136.5	58%	0.583	69%	0.693	S	S	*	*			trans	60.8	68.7	-172.3	-63.4	-56	0	0	0	116.1	R356	D354-R356 PolarHBondContact O-N 3.45Å
355	A	43.4	Very low	49.2	Very low	92 Å²	92	133.6 Å²	133.6	76%	0.76	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-5.8	152.5	0	0	0	0	0	113.5
356	R	48.5	Very low	48.7	Very low	236 Å²	236	134.6 Å²	134.6	89%	0.891	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-3.3	-172.3	-150.4	178.7	-175.9	-168.5	1.4	115.4	D354	D354-R356 PolarHBondContact O-N 3.45Å
357	Q	46.3	Very low	48.5	Very low	167 Å²	167	135 Å²	135	78%	0.78	68%	0.68	S	S	*	*	S	Bend	trans	-122.7	10.9	-175.2	-67.2	-159.8	11.3	0	0	116.3
358	R	44.2	Very low	48.7	Very low	154 Å²	154	132.2 Å²	132.2	58%	0.581	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-82.4	125.1	171.2	-62.7	-175.9	-150.9	142.3	16.1	110.4
359	R	49.5	Very low	48.9	Very low	231 Å²	231	133.2 Å²	133.2	87%	0.872	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-63.4	135.3	159.9	-82.8	-177.4	169.4	173.1	-2.7	108.6	S361	R359-S361 PolarHBondContact O-N 2.75Å
360	P	48.9	Very low	48.9	Very low	69 Å²	69	135.5 Å²	135.5	45%	0.448	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-55.3	126.1	171.9	-25.5	34.8	0	0	0	110.5	E365	P360-E365 VanDerWaalsContact CA-OE2 3.31Å; P360-E365 WeakPolarHBondContact CA-OE2 3.28Å; P360-E365 HydrophobicContact CB-CB 4.12Å; P360-E365 WeakPolarHBondContact CB-OE2 3.35Å
361	S	57.4	Low	49	Very low	110 Å²	110	132 Å²	132	77%	0.769	67%	0.667	S	S	*	*			trans	-98	0.3	-171.7	56.9	0	0	0	0	113.5	R359 E365	R359-S361 PolarHBondContact O-N 2.75Å; S361-E365 PolarHBondContact N-OE2 2.86Å
362	T	66.6	Low	49.2	Very low	76 Å²	76	129.2 Å²	129.2	47%	0.466	66%	0.662	S	S	.	*	S	Bend	trans	-138.7	149.3	176.7	55.7	0	0	0	0	112.9	A364 E365	T362-A364 PolarHBondContact O-N 3.04Å; T362-E365 PolarHBondContact O-N 3.3Å
363	I	56.5	Low	49.2	Very low	141 Å²	141	125.6 Å²	125.6	72%	0.723	66%	0.664	S	S	*	*	H	α-helix	trans	-62.3	-26.2	178.1	-71	169.5	0	0	0	111.9	E365 Q366 T367	I363-E365 PolarHBondContact O-N 3.04Å; I363-Q366 PolarHBondContact O-N 3.5Å; I363-T367 PolarHBondContact O-N 2.99Å; I363-T367 PolarHBondContact O-OG1 2.85Å
364	A	50.6	Low	48.4	Very low	67 Å²	67	122 Å²	122	55%	0.554	67%	0.665	S	S	*	*	H	α-helix	trans	-59.4	-43.7	177.1	0	0	0	0	0	112.8	T362 Q366 T367 V368	T362-A364 PolarHBondContact O-N 3.04Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 2.9Å; A364-T367 PolarHBondContact O-N 3.46Å; A364-V368 PolarHBondContact O-N 2.97Å
365	E	53.5	Low	47.8	Very low	94 Å²	94	122.8 Å²	122.8	44%	0.439	68%	0.679	S	S	.	*	H	α-helix	trans	-65.7	-33.7	-178.3	-65.1	178.7	134.1	0	0	112.3	P360 S361 T362 I363 T367	P360-E365 VanDerWaalsContact CA-OE2 3.31Å; P360-E365 WeakPolarHBondContact CA-OE2 3.28Å; P360-E365 HydrophobicContact CB-CB 4.12Å; P360-E365 WeakPolarHBondContact CB-OE2 3.35Å; S361-E365 PolarHBondContact N-OE2 2.86Å; T362-E365 PolarHBondContact O-N 3.3Å; I363-E365 PolarHBondContact O-N 3.04Å; E365-T367 VanDerWaalsContact C-N 3.31Å; E365-T367 PolarHBondContact O-N 3.16Å
366	Q	52.4	Low	47.2	Very low	122 Å²	122	122.3 Å²	122.3	57%	0.57	68%	0.675	S	S	*	*	H	α-helix	trans	-71.7	-25.2	177.7	-61	-173.2	13.5	0	0	112.9	I363 A364	I363-Q366 PolarHBondContact O-N 3.5Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 2.9Å
367	T	54.4	Low	46.5	Very low	87 Å²	87	119.4 Å²	119.4	53%	0.534	67%	0.672	S	S	.	*	H	α-helix	trans	-75.4	-42.7	179.8	-56.1	0	0	0	0	111.9	I363 A364 E365 I369 K370 S371	I363-T367 PolarHBondContact O-N 2.99Å; I363-T367 PolarHBondContact O-OG1 2.85Å; A364-T367 PolarHBondContact O-N 3.46Å; E365-T367 VanDerWaalsContact C-N 3.31Å; E365-T367 PolarHBondContact O-N 3.16Å; T367-I369 VanDerWaalsContact C-N 3.31Å; T367-I369 PolarHBondContact O-N 3.1Å; T367-K370 PolarHBondContact O-N 3.04Å; T367-S371 PolarHBondContact O-N 3.36Å; T367-S371 PolarHBondContact O-OG 2.93Å
368	V	54.8	Low	45.7	Very low	100 Å²	100	118 Å²	118	61%	0.606	67%	0.674	S	S	*	*	H	α-helix	trans	-62.7	-36.5	-176.8	178.8	0	0	0	0	112.3	A364 K370 S371	A364-V368 PolarHBondContact O-N 2.97Å; V368-K370 PolarHBondContact O-N 2.88Å; V368-S371 PolarHBondContact O-N 3.11Å; V368-S371 PolarHBondContact O-OG 2.94Å
369	I	50.5	Low	44.9	Very low	131 Å²	131	114.1 Å²	114.1	67%	0.672	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-20.1	177.4	-58.8	176	0	0	0	111.8	T367	T367-I369 VanDerWaalsContact C-N 3.31Å; T367-I369 PolarHBondContact O-N 3.1Å
370	K	43.5	Very low	43.9	Very low	180 Å²	180	111.3 Å²	111.3	78%	0.783	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-5.3	-177	-154.6	171	-177.2	179	0	113.8	T367 V368	T367-K370 PolarHBondContact O-N 3.04Å; V368-K370 PolarHBondContact O-N 2.88Å
371	S	40.9	Very low	43.8	Very low	90 Å²	90	113.2 Å²	113.2	63%	0.629	70%	0.696	S	S	*	*	S	Bend	trans	-99.5	-4.6	-176.5	41.7	0	0	0	0	115.7	T367 V368	T367-S371 PolarHBondContact O-N 3.36Å; T367-S371 PolarHBondContact O-OG 2.93Å; V368-S371 PolarHBondContact O-N 3.11Å; V368-S371 PolarHBondContact O-OG 2.94Å
372	T	42.8	Very low	42.3	Very low	124 Å²	124	114.5 Å²	114.5	76%	0.761	69%	0.693	S	S	*	*	S	Bend	trans	-105.7	14.4	-175.4	45.1	0	0	0	0	114.7
373	S	39.5	Very low	40.7	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	71%	0.71	S	S	*	*	S	Bend	trans	-131.2	94.7	-178.7	64	0	0	0	0	113.9
374	G	28.8	Very low	39.4	Very low	81 Å²	81	115.6 Å²	115.6	84%	0.835	71%	0.707	S	S	*	*			trans	129.7	79.5	147.7	0	0	0	0	0	119.9
375	S	31.1	Very low	38.5	Very low	126 Å²	126	119.1 Å²	119.1	88%	0.881	72%	0.721	S	S	*	*			trans	-169	139.8	142.8	55.5	0	0	0	0	109.2
376	A	29.7	Very low	37.5	Very low	82 Å²	82	125.3 Å²	125.3	68%	0.678	74%	0.741	S	S	*	*			cis	-142.3	153.5	-2.3	0	0	0	0	0	109.3
377	Q	33.6	Very low	36.4	Very low	175 Å²	175	125.8 Å²	125.8	82%	0.818	75%	0.746	S	S	*	*				56.1	136	97.5	-59	-73.3	-5	0	0	114.4
378	V	30.1	Very low	35.2	Very low	138 Å²	138	128.3 Å²	128.3	84%	0.836	76%	0.756	S	S	*	*			cis	-147.2	153	20.5	179.4	0	0	0	0	110.1
379	G	26.9	Very low	33.9	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	77%	0.765	S	S	*	*			trans	164.9	114.4	160.3	0	0	0	0	0	117.6
380	L	29	Very low	34.1	Very low	171 Å²	171	132.7 Å²	132.7	90%	0.895	77%	0.768	S	S	*	*			trans	-129.1	169.3	170.4	-87	169.1	0	0	0	108.6
381	P	47.1	Very low	34.2	Very low	110 Å²	110	129.5 Å²	129.5	71%	0.714	77%	0.765	S	S	*	*			cis	-117	-143.4	12.4	28.7	-3.9	0	0	0	111.9
382	L	26.7	Very low	33.5	Very low	136 Å²	136	130.9 Å²	130.9	71%	0.712	77%	0.77	S	S	*	*			cis	-158.8	175.5	11.6	-165.5	55	0	0	0	112.9
383	Q	31.6	Very low	33.1	Very low	176 Å²	176	131.4 Å²	131.4	82%	0.822	77%	0.773	S	S	*	*			trans	-14.1	150.9	167.4	-65.3	157.1	-15.3	0	0	120.4
384	G	30.5	Very low	33.6	Very low	64 Å²	64	131.6 Å²	131.6	66%	0.66	77%	0.771	S	S	*	*			cis	163.6	-171.5	-0.9	0	0	0	0	0	113.6
385	V	32	Very low	33.6	Very low	141 Å²	141	136.1 Å²	136.1	86%	0.855	77%	0.771	S	S	*	*			trans	74.2	107.2	167.4	-173.6	0	0	0	0	115.8
386	R	30.8	Very low	33.5	Very low	225 Å²	225	135.5 Å²	135.5	85%	0.849	77%	0.767	S	S	*	*				63.6	147	90	-86.2	-169.6	168.6	179.1	-2.6	115.8
387	L	30.5	Very low	33.4	Very low	131 Å²	131	137.3 Å²	137.3	69%	0.686	77%	0.769	S	S	*	*			cis	-177.1	158.1	-16.1	-156.3	75.5	0	0	0	109.6
388	L	28.1	Very low	33.1	Very low	140 Å²	140	133.3 Å²	133.3	73%	0.733	76%	0.76	S	S	*	*			trans	66.9	162.9	162.6	-65.9	-179.3	0	0	0	118.1
389	R	28.5	Very low	32.9	Very low	213 Å²	213	134.1 Å²	134.1	80%	0.804	76%	0.76	S	S	*	*			cis	-174.8	149.8	-18.9	172.9	-174.8	-168.9	152.5	3.2	110.5
390	P	53.8	Low	32.9	Very low	111 Å²	111	134.4 Å²	134.4	72%	0.721	76%	0.756	S	S	*	*			trans	-87	166.2	173.8	36.4	-37.7	0	0	0	113.9
391	P	45.7	Very low	32.6	Very low	113 Å²	113	132.2 Å²	132.2	73%	0.734	75%	0.753	S	S	*	*				-160.7	161.9	108.6	42.9	-23.7	0	0	0	120.1
392	T	26.8	Very low	31.4	Very low	119 Å²	119	132.5 Å²	132.5	73%	0.73	76%	0.758	S	S	*	*			trans	53.6	120.9	140.2	55.2	0	0	0	0	127
393	V	34.5	Very low	31.7	Very low	134 Å²	134	135.6 Å²	135.6	81%	0.812	77%	0.766	S	S	*	*				14.8	163.7	122.1	-84.4	0	0	0	0	122.5
394	P	49.9	Very low	32	Very low	105 Å²	105	132.9 Å²	132.9	68%	0.682	76%	0.764	S	S	*	*			cis	-149.6	176.3	27.6	43.5	-22.3	0	0	0	122.2
395	Q	29.5	Very low	31.8	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	77%	0.772	S	S	*	*			trans	96.2	130.8	132.8	-109.4	172.4	-16.7	0	0	126.2
396	S	28.1	Very low	31.4	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	77%	0.767	S	S	*	*			trans	63.9	148.5	155.7	59.7	0	0	0	0	119.5
397	T	26.9	Very low	31.1	Very low	120 Å²	120	133.1 Å²	133.1	74%	0.736	77%	0.765	S	S	*	*			cis	-125.6	151.8	6.4	50.7	0	0	0	0	111
398	S	27.9	Very low	30.8	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	77%	0.767	S	S	*	*				31.1	136.6	88.9	66.3	0	0	0	0	115.7
399	D	26.4	Very low	31.7	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	77%	0.767	S	S	*	*			cis	-118.8	-176.4	33.2	-62.9	-41.5	0	0	0	115.7
400	A	26.9	Very low	31.6	Very low	78 Å²	78	127.4 Å²	127.4	65%	0.645	77%	0.765	S	S	*	*				165.1	114.8	-51.9	0	0	0	0	0	110.3
401	C	22.5	Very low	30.4	Very low	125 Å²	125	129.3 Å²	129.3	85%	0.845	77%	0.765	S	S	*	*			trans	56.3	147.9	148.6	-53.9	0	0	0	0	120.3
402	S	22.7	Very low	29.6	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	76%	0.764	S	S	*	*			cis	-155.7	157.7	34.7	-54.3	0	0	0	0	114.1
403	F	32.4	Very low	29.6	Very low	201 Å²	201	132.5 Å²	132.5	88%	0.882	77%	0.766	S	S	*	*			trans	-93.7	156.2	158.8	-97.4	-84.6	0	0	0	109.3
404	P	36.6	Very low	29.1	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	77%	0.767	S	S	*	*				-148.7	179.3	88.8	39.7	-21.2	0	0	0	117.1
405	Q	26.3	Very low	28.1	Very low	177 Å²	177	138 Å²	138	83%	0.827	77%	0.773	S	S	*	*			trans	-52.1	159.3	171.1	-55.5	155.3	-13.4	0	0	112.1
406	T	24.2	Very low	28.2	Very low	124 Å²	124	135.6 Å²	135.6	76%	0.761	77%	0.771	S	S	*	*				-159.4	179	53.5	42.3	0	0	0	0	109.8
407	V	24.9	Very low	28.2	Very low	134 Å²	134	139 Å²	139	81%	0.812	77%	0.774	S	S	*	*			cis	-149.6	158.5	28	-157.9	0	0	0	0	110.7
408	S	23.9	Very low	28.4	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	77%	0.773	S	S	*	*			trans	-95.8	-163	169.8	59.6	0	0	0	0	110.6
409	P	46.4	Very low	28.5	Very low	114 Å²	114	142.7 Å²	142.7	74%	0.74	78%	0.781	S	S	*	*			cis	-138	-154.3	-0.9	44.7	-24.8	0	0	0	115.3
410	L	28	Very low	28.6	Very low	147 Å²	147	137.7 Å²	137.7	77%	0.77	77%	0.766	S	S	*	*			trans	91.7	107.5	174.2	-131.7	70.9	0	0	0	114.5
411	E	28.4	Very low	28.6	Very low	152 Å²	152	140.3 Å²	140.3	71%	0.71	77%	0.774	S	S	*	*			cis	71.8	140.5	49.9	-64	-163.4	-165.3	0	0	114.5
412	Q	28.2	Very low	29.8	Very low	153 Å²	153	139.2 Å²	139.2	72%	0.715	77%	0.765	S	S	*	*			cis	-121.2	167	-5.4	-82.7	113.7	34.3	0	0	109.6
413	N	27.7	Very low	30.3	Very low	146 Å²	146	143.4 Å²	143.4	78%	0.781	77%	0.769	S	S	*	*			cis	84.7	147.3	32.3	-127.7	10.1	0	0	0	115.5
414	F	24.1	Very low	30.3	Very low	189 Å²	189	139.9 Å²	139.9	83%	0.829	76%	0.764	S	S	*	*			trans	78.8	153.7	-173.2	-80.3	-112.5	0	0	0	118
415	M	27.8	Very low	29.9	Very low	164 Å²	164	140.8 Å²	140.8	81%	0.808	76%	0.762	S	S	*	*			cis	-179.3	179.6	-41.4	-110.6	-64.3	-177.4	0	0	108.3
416	V	32.3	Very low	30	Very low	128 Å²	128	135 Å²	135	78%	0.776	75%	0.749	S	S	*	*			trans	-104.1	173	175.4	-179.8	0	0	0	0	110.4
417	E	27.3	Very low	30.2	Very low	185 Å²	185	134.9 Å²	134.9	86%	0.864	75%	0.752	S	S	*	*			trans	80.9	150.2	176.4	-59.2	-173.9	112.6	0	0	116.6
418	D	31.4	Very low	30.4	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	75%	0.75	S	S	*	*			cis	-169.3	-166	-25.7	-176.9	31.8	0	0	0	107.9
419	I	30	Very low	30.7	Very low	155 Å²	155	138.3 Å²	138.3	80%	0.795	76%	0.757	S	S	*	*			trans	101.9	119.3	156.1	-54.2	163.7	0	0	0	115.5
420	G	28.7	Very low	30.1	Very low	50 Å²	50	139.6 Å²	139.6	52%	0.515	76%	0.758	S	S	.	*			cis	147.7	171.6	-22.5	0	0	0	0	0	117.5
421	T	27.4	Very low	30.6	Very low	134 Å²	134	138.3 Å²	138.3	82%	0.822	76%	0.758	S	S	*	*			trans	72.6	165.2	157.2	79.2	0	0	0	0	118.2
422	P	46.4	Very low	30.8	Very low	102 Å²	102	138.2 Å²	138.2	66%	0.662	76%	0.761	S	S	*	*			cis	-138.1	154.1	4	40.2	-22	0	0	0	119.3
423	K	34.3	Very low	31.5	Very low	202 Å²	202	136.7 Å²	136.7	88%	0.878	77%	0.765	S	S	*	*			trans	65.4	144.9	139.4	-74.7	174.7	-176.4	177.7	0	119.9
424	V	32.2	Very low	32.6	Very low	127 Å²	127	134.6 Å²	134.6	77%	0.77	76%	0.759	S	S	*	*			cis	-163.9	167.4	-3.5	79.5	0	0	0	0	106.9
425	N	27.6	Very low	32.9	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	75%	0.754	S	S	*	*			cis	-147.3	-169	10.1	-140.6	6.6	0	0	0	107.3
426	G	28.6	Very low	33.1	Very low	55 Å²	55	129.8 Å²	129.8	57%	0.567	76%	0.755	S	S	*	*			cis	125.9	146.8	-5.2	0	0	0	0	0	114.8
427	C	28.6	Very low	33	Very low	122 Å²	122	129.4 Å²	129.4	82%	0.824	75%	0.752	S	S	*	*			trans	73	142.5	171.7	-60	0	0	0	0	117.8
428	L	29.4	Very low	33	Very low	147 Å²	147	127 Å²	127	77%	0.77	75%	0.745	S	S	*	*			cis	-166.9	138.4	-9.3	-179	69.9	0	0	0	111.9
429	L	29.8	Very low	32.9	Very low	162 Å²	162	130.9 Å²	130.9	85%	0.848	75%	0.749	S	S	*	*			trans	49.8	151.6	157.7	-67.7	169	0	0	0	123.7
430	D	34.1	Very low	32.9	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	75%	0.751	S	S	*	*			trans	-110.5	145.8	168.9	-171.7	18.3	0	0	0	108.3
431	P	39.1	Very low	32.9	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	76%	0.757	S	S	*	*				-157.6	171.5	98.1	42.2	-23	0	0	0	118.2
432	L	32.6	Very low	32.9	Very low	151 Å²	151	133.1 Å²	133.1	79%	0.791	75%	0.752	S	S	*	*			trans	-63.9	168.1	157.4	-65.8	173.6	0	0	0	112.1
433	P	43.2	Very low	32.1	Very low	121 Å²	121	134.3 Å²	134.3	79%	0.786	76%	0.758	S	S	*	*			cis	-146.4	-129.8	39.5	34.3	-4.3	0	0	0	116.9
434	P	50.1	Low	31.8	Very low	101 Å²	101	130.3 Å²	130.3	66%	0.656	76%	0.755	S	S	*	*				-138.2	167.6	-103.2	45.8	-27.8	0	0	0	120.5
435	T	30.5	Very low	31.8	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	76%	0.756	S	S	*	*			trans	51.5	129	143	54.3	0	0	0	0	125.2
436	T	30.9	Very low	32.7	Very low	134 Å²	134	129 Å²	129	82%	0.822	76%	0.759	S	S	*	*			trans	-143.1	105.9	134.7	53.8	0	0	0	0	108.7
437	V	31.7	Very low	32.8	Very low	119 Å²	119	131.2 Å²	131.2	72%	0.721	77%	0.767	S	S	*	*				54	101.5	81.8	-178.3	0	0	0	0	111.3
438	L	26.9	Very low	33	Very low	134 Å²	134	132.3 Å²	132.3	70%	0.702	76%	0.764	S	S	*	*				-170.6	174	77.5	-147.8	52.6	0	0	0	108.2
439	R	29.4	Very low	33	Very low	214 Å²	214	133.5 Å²	133.5	81%	0.808	77%	0.768	S	S	*	*			cis	-144.9	-90.2	9.6	-160.5	156.7	-142.5	173.8	6.2	115.7
440	K	29.2	Very low	32.9	Very low	192 Å²	192	134.1 Å²	134.1	84%	0.835	77%	0.769	S	S	*	*			trans	-169	160.8	-161.7	-78.5	-169.2	177.4	-174.7	0	110.2
441	S	28.4	Very low	32.8	Very low	91 Å²	91	135.1 Å²	135.1	64%	0.636	77%	0.769	S	S	*	*			cis	-174.5	163.8	-16.1	53	0	0	0	0	111.1
442	S	28.2	Very low	32.5	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	77%	0.765	S	S	*	*			trans	63	155.7	153	42.3	0	0	0	0	120.7
443	T	29.3	Very low	32.5	Very low	127 Å²	127	132.8 Å²	132.8	78%	0.779	76%	0.763	S	S	*	*			cis	-169.3	161.3	-46.3	14.4	0	0	0	0	110.5
444	S	27.6	Very low	32	Very low	118 Å²	118	134.6 Å²	134.6	83%	0.825	77%	0.765	S	S	*	*			trans	68.3	147.2	153.8	48.8	0	0	0	0	122.8
445	S	33.3	Very low	31	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	77%	0.771	S	S	*	*			trans	-76.3	176	170.7	-35.4	0	0	0	0	113
446	P	45.2	Very low	31.2	Very low	127 Å²	127	139.2 Å²	139.2	83%	0.825	77%	0.774	S	S	*	*				-153.7	-174.5	87.9	42.2	-23.2	0	0	0	116.5
447	S	31	Very low	31.3	Very low	103 Å²	103	136 Å²	136	72%	0.72	77%	0.767	S	S	*	*			trans	-81	161.6	169.1	-34.9	0	0	0	0	112.9
448	N	33	Very low	31.4	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	77%	0.771	S	S	*	*				174.8	157.1	124.4	-101.5	0.8	0	0	0	118.2
449	M	30.1	Very low	31.6	Very low	172 Å²	172	139.6 Å²	139.6	85%	0.847	78%	0.776	S	S	*	*			trans	78.3	168.8	142.4	-75.6	169	71.6	0	0	122.6
450	M	27.7	Very low	31.7	Very low	175 Å²	175	134.8 Å²	134.8	86%	0.862	77%	0.771	S	S	*	*			trans	-119.8	-174.4	-162	-66.1	171.4	160	0	0	112
451	E	32.1	Very low	31.9	Very low	161 Å²	161	134.5 Å²	134.5	75%	0.752	77%	0.772	S	S	*	*			trans	102.5	119.8	143.5	-75.2	-165.8	121.1	0	0	123.1
452	T	31.3	Very low	32.1	Very low	114 Å²	114	138.6 Å²	138.6	70%	0.699	78%	0.781	S	S	*	*			trans	79.2	169.6	133.4	63.8	0	0	0	0	122.3
453	S	33.5	Very low	33	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	78%	0.777	S	S	*	*			trans	64.7	120.1	-165.3	60.4	0	0	0	0	114.6
454	I	32.3	Very low	33.1	Very low	160 Å²	160	139.6 Å²	139.6	82%	0.821	78%	0.779	S	S	*	*			cis	76.9	109.2	18.7	-38.2	164	0	0	0	115.3
455	D	30.3	Very low	33.4	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	78%	0.775	S	S	*	*			trans	-168.3	119.6	151.8	-130.8	17.5	0	0	0	104.5
456	E	34.8	Very low	33.4	Very low	170 Å²	170	142 Å²	142	79%	0.794	78%	0.78	S	S	*	*				47.6	127.5	83.2	-59.5	-156	164	0	0	115.5
457	G	32	Very low	32.8	Very low	66 Å²	66	144 Å²	144	68%	0.68	78%	0.784	S	S	*	*			cis	171.1	169.8	-12.5	0	0	0	0	0	116.2
458	I	33.3	Very low	32.8	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	79%	0.786	S	S	*	*			trans	80.4	152.6	144.1	-48.6	157.6	0	0	0	119
459	E	32.5	Very low	33.6	Very low	175 Å²	175	144 Å²	144	82%	0.818	78%	0.781	S	S	*	*			trans	84	137.5	171.7	-55.3	-161	169.5	0	0	120.1
460	T	31.3	Very low	33.6	Very low	113 Å²	113	140.2 Å²	140.2	69%	0.693	78%	0.778	S	S	*	*			cis	-164.4	165.1	-47.5	-0.3	0	0	0	0	110.8
461	E	32.2	Very low	33.9	Very low	186 Å²	186	140.2 Å²	140.2	87%	0.869	78%	0.775	S	S	*	*			trans	72	105.1	153.9	-72.1	175.5	167.6	0	0	122
462	E	33.2	Very low	33.8	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	78%	0.776	S	S	*	*			trans	-68.4	175.7	141.7	-64.2	-78.8	140.9	0	0	110.3
463	P	47.2	Very low	33.6	Very low	97 Å²	97	141.4 Å²	141.4	63%	0.63	78%	0.781	S	S	*	*			cis	-144.8	-173.7	15.8	45.1	-25.8	0	0	0	118.2
464	D	31.6	Very low	33.3	Very low	154 Å²	154	141.4 Å²	141.4	82%	0.824	78%	0.781	S	S	*	*			trans	85.9	140.5	143.2	-74.4	-26.8	0	0	0	124.3
465	A	34.2	Very low	33.1	Very low	89 Å²	89	137.2 Å²	137.2	74%	0.736	77%	0.77	S	S	*	*			trans	82.5	94.1	152.6	0	0	0	0	0	122.2
466	E	32.5	Very low	33	Very low	189 Å²	189	139.3 Å²	139.3	88%	0.883	77%	0.769	S	S	*	*				42.9	108	128.8	-54.7	-171.4	134.5	0	0	121.5
467	D	32.8	Very low	32.7	Very low	169 Å²	169	138.7 Å²	138.7	90%	0.904	77%	0.766	S	S	*	*				-177.4	151.9	111.8	-116.7	-25.9	0	0	0	113.5
468	D	32.1	Very low	32.5	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	77%	0.769	S	S	*	*			trans	-160.2	159.9	177.6	-170.7	53.9	0	0	0	108.5
469	P	49.7	Very low	32.4	Very low	106 Å²	106	138 Å²	138	69%	0.688	76%	0.764	S	S	*	*			cis	-128.9	166.7	-1.8	13.8	11.8	0	0	0	116.9
470	A	30.1	Very low	32.2	Very low	94 Å²	94	140.8 Å²	140.8	78%	0.777	77%	0.767	S	S	*	*			trans	-162.3	102.9	144.7	0	0	0	0	0	116
471	H	33.6	Very low	32.1	Very low	174 Å²	174	146.1 Å²	146.1	81%	0.806	78%	0.781	S	S	*	*			trans	22.9	104.3	150.2	-71.2	-80.9	0	0	0	122.9
472	L	29.2	Very low	31.9	Very low	145 Å²	145	140.8 Å²	140.8	76%	0.759	78%	0.776	S	S	*	*				50.7	134.5	114.2	-76.3	167	0	0	0	123.9
473	L	27.9	Very low	31.8	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	78%	0.775	S	S	*	*			trans	89.3	96.7	137.3	-87.5	163	0	0	0	122.5
474	S	26	Very low	31	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	78%	0.781	S	S	*	*			trans	-144.7	110.1	140	179.1	0	0	0	0	107.1
475	A	28.1	Very low	31.2	Very low	72 Å²	72	145.6 Å²	145.6	60%	0.595	77%	0.77	S	S	*	*				59.6	119.8	78.6	0	0	0	0	0	114.7
476	Y	28.4	Very low	31.4	Very low	192 Å²	192	148 Å²	148	75%	0.753	77%	0.766	S	S	*	*				169.6	125.7	117.6	-107.9	-102.5	0	0	0	114.5
477	Q	30	Very low	31.6	Very low	156 Å²	156	144.1 Å²	144.1	73%	0.729	76%	0.755	S	S	*	*			trans	52.9	167	145.3	-62.8	-175.7	2.3	0	0	119.9
478	T	27.3	Very low	31.5	Very low	122 Å²	122	144.1 Å²	144.1	75%	0.748	75%	0.754	S	S	*	*			cis	-162	161.9	28.4	-34.8	0	0	0	0	113
479	A	29.9	Very low	31.7	Very low	84 Å²	84	142.3 Å²	142.3	69%	0.694	75%	0.753	S	S	*	*			trans	70.3	154	151	0	0	0	0	0	119.4
480	R	29.7	Very low	31	Very low	233 Å²	233	146.4 Å²	146.4	88%	0.879	76%	0.763	S	S	*	*			cis	-161.2	150.3	-18	-111.9	176.1	-174.4	176	3.5	108.6
481	F	27.7	Very low	31.3	Very low	226 Å²	226	148 Å²	148	99%	0.991	76%	0.762	S	S	*	*			trans	-136.8	144.5	157.3	-99.2	-81.9	0	0	0	110.4
482	G	28.3	Very low	31.2	Very low	74 Å²	74	146.1 Å²	146.1	76%	0.763	76%	0.764	S	S	*	*			trans	-116.2	150.6	-172.4	0	0	0	0	0	113.9
483	Q	31.3	Very low	31.3	Very low	170 Å²	170	146.3 Å²	146.3	79%	0.794	77%	0.765	S	S	*	*			trans	-86.6	162.6	-175.8	-62.6	178.5	-16.4	0	0	114.3
484	R	30.9	Very low	31.6	Very low	199 Å²	199	146.1 Å²	146.1	75%	0.751	76%	0.76	S	S	*	*				153.4	156.3	112.5	-79.3	-175.2	178.3	-166.2	2	110
485	R	35.8	Very low	32.8	Very low	159 Å²	159	147 Å²	147	60%	0.6	76%	0.763	S	S	*	*			cis	-170.1	151.4	-23.3	-96.4	172.1	176	-165.2	-5	104.8
486	H	37.6	Very low	33	Very low	140 Å²	140	146.6 Å²	146.6	65%	0.648	77%	0.766	S	S	*	*				170.7	132.7	86.3	-94.3	-73.6	0	0	0	106.2
487	T	37.6	Very low	34.6	Very low	108 Å²	108	143.4 Å²	143.4	66%	0.663	77%	0.769	S	S	*	*				56.5	137.3	77.1	72.2	0	0	0	0	114.3
488	L	30.3	Very low	35	Very low	168 Å²	168	141 Å²	141	88%	0.88	77%	0.769	S	S	*	*			cis	-146.9	-179.3	42.4	-91.9	172.9	0	0	0	115.7
489	S	36.6	Very low	35.3	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	77%	0.77	S	S	*	*			trans	-150.9	179	178.8	61.3	0	0	0	0	110.2
490	E	35.8	Very low	35.6	Very low	193 Å²	193	146.8 Å²	146.8	90%	0.902	78%	0.778	S	S	*	*			trans	-141.8	171.4	168.4	-161.2	144.8	-108.8	0	0	111.7
491	V	35.7	Very low	35.6	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	77%	0.772	S	S	*	*			trans	-143.3	130.8	-158.9	174.3	0	0	0	0	115.3
492	T	30.5	Very low	35.9	Very low	135 Å²	135	137.9 Å²	137.9	83%	0.828	77%	0.766	S	S	*	*			trans	-159.3	149.9	166.6	27	0	0	0	0	109
493	N	32.7	Very low	36	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	76%	0.764	S	S	*	*			cis	-151.7	-176.3	-9	-160.2	5.4	0	0	0	110.2
494	Q	33.6	Very low	35.8	Very low	151 Å²	151	141.3 Å²	141.3	71%	0.706	76%	0.764	S	S	*	*			trans	-146	168.9	-174.1	-92.2	-71.4	-12.4	0	0	109.7
495	P	52.2	Low	35.6	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	76%	0.76	S	S	*	*			cis	-140.4	174.1	48.6	34.6	-11	0	0	0	118.9
496	G	31.6	Very low	35.3	Very low	63 Å²	63	137.5 Å²	137.5	65%	0.649	78%	0.776	S	S	*	*			trans	-95.1	-142.6	-176.4	0	0	0	0	0	116.7
497	P	62.3	Low	34.6	Very low	125 Å²	125	133.9 Å²	133.9	81%	0.812	78%	0.777	S	S	*	*			cis	-146.6	171	39.8	41.3	-21.2	0	0	0	120.8
498	S	37.2	Very low	34.1	Very low	106 Å²	106	138 Å²	138	74%	0.741	79%	0.789	S	S	*	*			trans	81.2	171.2	166.1	82.8	0	0	0	0	118.2
499	N	34.3	Very low	34.6	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	79%	0.785	S	S	*	*			cis	-153.7	-160.3	11.1	-142.3	-51.5	0	0	0	114.9
500	Q	35.6	Very low	34.7	Very low	186 Å²	186	138 Å²	138	87%	0.869	79%	0.788	S	S	*	*			trans	-98.6	167.4	-176.1	-53.9	173.6	20.5	0	0	113.9
501	G	30.6	Very low	34.7	Very low	74 Å²	74	133.7 Å²	133.7	76%	0.763	78%	0.779	S	S	*	*			cis	165	163.1	-9.4	0	0	0	0	0	115.4
502	K	32.9	Very low	34.5	Very low	199 Å²	199	135 Å²	135	87%	0.865	78%	0.779	S	S	*	*			trans	80.3	125.7	162.8	-74.8	-171.8	167	-177.8	0	125.1
503	L	30.8	Very low	34.5	Very low	135 Å²	135	131.5 Å²	131.5	71%	0.707	77%	0.77	S	S	*	*			trans	70.3	127	137.7	-83	85.1	0	0	0	126.5
504	F	26.9	Very low	34.6	Very low	181 Å²	181	129.7 Å²	129.7	79%	0.794	77%	0.769	S	S	*	*			trans	62.5	124.3	139.3	-82.3	-105.3	0	0	0	126.5
505	S	26.9	Very low	34.7	Very low	96 Å²	96	128.1 Å²	128.1	67%	0.671	77%	0.769	S	S	*	*				48.8	155.3	127.5	-62	0	0	0	0	126.3
506	L	29	Very low	33.7	Very low	181 Å²	181	128.1 Å²	128.1	95%	0.948	76%	0.763	S	S	*	*			trans	70.9	149.2	171.4	-102.9	63.5	0	0	0	116.5
507	G	24.8	Very low	34.1	Very low	65 Å²	65	129.9 Å²	129.9	67%	0.67	77%	0.765	S	S	*	*			cis	170.4	145.5	-11.2	0	0	0	0	0	114.8
508	H	26.5	Very low	32.6	Very low	194 Å²	194	131.7 Å²	131.7	90%	0.898	77%	0.768	S	S	*	*			trans	56.4	149.3	163.3	-77.5	-29.9	0	0	0	123.7
509	N	40.7	Very low	32.4	Very low	150 Å²	150	134 Å²	134	80%	0.802	77%	0.77	S	S	*	*			trans	-66.6	160.5	169	-56.1	-25.5	0	0	0	112.5
510	P	38.1	Very low	32.2	Very low	121 Å²	121	130 Å²	130	79%	0.786	76%	0.762	S	S	*	*				-119.9	149.6	107.3	35.8	-33.6	0	0	0	111
511	S	35	Very low	32	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	76%	0.764	S	S	*	*			cis	79.7	147.2	32.8	-160.2	0	0	0	0	114.5
512	M	33.1	Very low	32.7	Very low	153 Å²	153	136 Å²	136	75%	0.754	77%	0.767	S	S	*	*			trans	76.7	142.7	-162.9	-47.9	-91.9	61.1	0	0	114	P709	M512-P709 HydrophobicContact CE-CG 4.41Å
513	G	30.6	Very low	32.7	Very low	62 Å²	62	135.2 Å²	135.2	64%	0.639	77%	0.769	S	S	*	*			cis	172.8	167.8	-6.8	0	0	0	0	0	113.5
514	S	35	Very low	32.8	Very low	111 Å²	111	132 Å²	132	78%	0.776	77%	0.768	S	S	*	*			trans	11	147.5	139	-65.3	0	0	0	0	120.4
515	V	35.3	Very low	33	Very low	119 Å²	119	128.9 Å²	128.9	72%	0.721	77%	0.769	S	S	*	*			cis	-161.3	167.1	12.7	-108.7	0	0	0	0	111.7
516	D	30.5	Very low	33.2	Very low	125 Å²	125	128 Å²	128	67%	0.668	77%	0.768	S	S	*	*			trans	39.6	124.1	147.5	-77.5	-71.4	0	0	0	123.7
517	S	40.6	Very low	33.1	Very low	99 Å²	99	127.8 Å²	127.8	69%	0.692	76%	0.761	S	S	*	*				39.1	120.6	109.2	-39.2	0	0	0	0	119.6
518	D	30.8	Very low	33.3	Very low	163 Å²	163	128.9 Å²	128.9	87%	0.872	76%	0.759	S	S	*	*				-150.9	176.2	129.2	-137.3	-26.5	0	0	0	113.2
519	I	33.4	Very low	33.3	Very low	155 Å²	155	126 Å²	126	80%	0.795	75%	0.75	S	S	*	*			trans	-114.7	152.7	-160.2	-162	169.4	0	0	0	113.9
520	G	28.7	Very low	32.7	Very low	57 Å²	57	127 Å²	127	59%	0.588	76%	0.755	S	S	*	*			trans	98	120.1	143	0	0	0	0	0	119
521	Y	32.1	Very low	32.2	Very low	230 Å²	230	124.8 Å²	124.8	90%	0.902	75%	0.753	S	S	*	*			trans	43.3	98	140.9	-60	-77.5	0	0	0	120.3
522	D	45.2	Very low	31.8	Very low	155 Å²	155	127.9 Å²	127.9	83%	0.829	76%	0.761	S	S	*	*				11.2	128.4	124.3	-168.9	24.1	0	0	0	118.4
523	M	33.6	Very low	31.4	Very low	183 Å²	183	127.3 Å²	127.3	90%	0.901	76%	0.76	S	S	*	*			trans	-140	109.6	171.5	-175.1	84.8	78.4	0	0	108.9
524	G	31.6	Very low	31.1	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	77%	0.767	S	S	*	*			trans	-83.4	158.4	-178.6	0	0	0	0	0	114.7
525	S	31.5	Very low	30.6	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	77%	0.768	S	S	*	*			trans	-149.9	106.2	159.5	-167.6	0	0	0	0	106.6
526	A	31.5	Very low	30.2	Very low	79 Å²	79	133.4 Å²	133.4	65%	0.653	77%	0.768	S	S	*	*				70.1	87.6	63.2	0	0	0	0	0	113.1
527	H	26	Very low	30.5	Very low	175 Å²	175	133.7 Å²	133.7	81%	0.81	78%	0.776	S	S	*	*				-178.2	133.6	113.5	-101.1	-70.9	0	0	0	112.8
528	S	29.4	Very low	29.9	Very low	88 Å²	88	134.3 Å²	134.3	62%	0.615	78%	0.781	S	S	*	*				36.7	152.2	127.9	-59.7	0	0	0	0	122.8
529	D	26.1	Very low	29.8	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	78%	0.777	S	S	*	*			cis	-174	149.9	-23	-102.7	-58.4	0	0	0	107
530	L	29.2	Very low	29.7	Very low	172 Å²	172	130.6 Å²	130.6	90%	0.901	77%	0.769	S	S	*	*			trans	41.9	105.4	155.8	-57.1	176.7	0	0	0	121
531	G	26.3	Very low	29.8	Very low	73 Å²	73	136.7 Å²	136.7	75%	0.753	78%	0.782	S	S	*	*			trans	-166.8	110.8	151.9	0	0	0	0	0	109
532	L	26.5	Very low	29.6	Very low	169 Å²	169	132 Å²	132	89%	0.885	78%	0.777	S	S	*	*				68.5	108.3	64.1	-85.9	172.7	0	0	0	116.2
533	L	25.4	Very low	28.8	Very low	141 Å²	141	132 Å²	132	74%	0.738	78%	0.775	S	S	*	*			trans	70.8	130.9	150.3	-120.8	75.6	0	0	0	122
534	E	25.2	Very low	29.5	Very low	168 Å²	168	128.8 Å²	128.8	79%	0.785	77%	0.768	S	S	*	*			trans	6.9	145	147.7	-61.8	172.3	106.7	0	0	121.6
535	D	23.1	Very low	29.4	Very low	151 Å²	151	129.4 Å²	129.4	81%	0.807	77%	0.767	S	S	*	*			trans	-137.5	118.9	140.5	-152.8	-7.2	0	0	0	113.1
536	S	27.5	Very low	29.2	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	77%	0.77	S	S	*	*			trans	21	128.4	150.3	-45.2	0	0	0	0	123.4
537	P	36.3	Very low	29	Very low	131 Å²	131	129.4 Å²	129.4	85%	0.851	77%	0.773	S	S	*	*			trans	-102.5	159.6	150.8	37.7	-31	0	0	0	113.3
538	S	27.7	Very low	29.1	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	78%	0.777	S	S	*	*			trans	-150.7	157.4	164.9	64.5	0	0	0	0	109
539	L	29.9	Very low	29	Very low	152 Å²	152	127.3 Å²	127.3	80%	0.796	78%	0.783	S	S	*	*			cis	-149.8	159.6	37.1	-102.9	166.1	0	0	0	113.4
540	S	30.5	Very low	29.2	Very low	89 Å²	89	125.4 Å²	125.4	62%	0.622	79%	0.786	S	S	*	*			trans	52.6	113.2	157.1	54.6	0	0	0	0	119.6
541	E	30.9	Very low	29.1	Very low	185 Å²	185	122.1 Å²	122.1	86%	0.864	78%	0.778	S	S	*	*				74.3	140.9	76.6	-77.1	-166.8	113	0	0	114.6
542	V	27.9	Very low	29.1	Very low	132 Å²	132	123.8 Å²	123.8	80%	0.8	78%	0.777	S	S	*	*			cis	-139	160.8	25.1	-172.9	0	0	0	0	113.2
543	I	28.3	Very low	29	Very low	154 Å²	154	121.1 Å²	121.1	79%	0.79	77%	0.772	S	S	*	*			trans	-64.2	167.1	171.7	-86.1	164.2	0	0	0	114.1
544	P	49.3	Very low	30.1	Very low	115 Å²	115	119.9 Å²	119.9	75%	0.747	77%	0.773	S	S	*	*			cis	-140.8	-173.4	21.1	33.8	-9.3	0	0	0	119.6
545	A	28	Very low	30.1	Very low	82 Å²	82	116.3 Å²	116.3	68%	0.678	77%	0.771	S	S	*	*			trans	105.3	87	134.1	0	0	0	0	0	123.9
546	S	27.3	Very low	31.5	Very low	125 Å²	125	114.4 Å²	114.4	87%	0.874	77%	0.768	S	S	*	*				51.6	135.8	119.6	64.6	0	0	0	0	125.8
547	G	27.5	Very low	31.7	Very low	69 Å²	69	118.5 Å²	118.5	71%	0.711	77%	0.773	S	S	*	*			trans	132	118.7	158.3	0	0	0	0	0	112.4
548	S	28.1	Very low	31.6	Very low	128 Å²	128	119.2 Å²	119.2	90%	0.895	77%	0.767	S	S	*	*			cis	69.3	133.9	37.1	-56.5	0	0	0	0	114.8
549	A	29	Very low	31.7	Very low	90 Å²	90	122 Å²	122	74%	0.744	77%	0.769	S	S	*	*			cis	-171.2	-178.6	-13.2	0	0	0	0	0	110
550	A	28.9	Very low	31.8	Very low	95 Å²	95	119.3 Å²	119.3	79%	0.785	77%	0.769	S	S	*	*			trans	71.6	159.1	154.6	0	0	0	0	0	118.7
551	S	27.9	Very low	31.9	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	78%	0.782	S	S	*	*			cis	-172.1	-173.9	-22.3	54.1	0	0	0	0	112
552	C	26.3	Very low	33.2	Very low	109 Å²	109	122.6 Å²	122.6	74%	0.736	77%	0.774	S	S	*	*			trans	86.9	85	155.6	-62.8	0	0	0	0	121.3
553	S	23.7	Very low	33.9	Very low	113 Å²	113	121.6 Å²	121.6	79%	0.79	77%	0.77	S	S	*	*				-4.3	177.1	105.9	-10.7	0	0	0	0	119.9
554	P	48	Very low	34.2	Very low	115 Å²	115	121 Å²	121	75%	0.747	77%	0.768	S	S	*	*			cis	-143.4	174.2	-6	40.9	-22.8	0	0	0	117.8
555	A	26.9	Very low	34	Very low	92 Å²	92	120.8 Å²	120.8	76%	0.76	77%	0.767	S	S	*	*			trans	65.3	159	139.4	0	0	0	0	0	120.2
556	P	51.9	Low	34.1	Very low	112 Å²	112	121.3 Å²	121.3	73%	0.727	77%	0.771	S	S	*	*			cis	-108.5	-162.3	9.5	44.4	-33.9	0	0	0	112.5
557	F	31.4	Very low	34.4	Very low	186 Å²	186	124.4 Å²	124.4	82%	0.816	77%	0.774	S	S	*	*			cis	-144.8	-117.4	6.9	-144.4	-20.9	0	0	0	114.4
558	M	33.4	Very low	34.7	Very low	147 Å²	147	125.2 Å²	125.2	72%	0.724	77%	0.774	S	S	*	*			trans	-157.2	151.4	-159.6	-78.3	-67.2	157.7	0	0	109.2
559	M	31.2	Very low	34.9	Very low	170 Å²	170	123.4 Å²	123.4	84%	0.837	77%	0.767	S	S	*	*			cis	-144.5	170.8	-10.9	-85.6	-152.9	-171	0	0	106.7
560	A	30.9	Very low	34.9	Very low	95 Å²	95	126.6 Å²	126.6	79%	0.785	77%	0.771	S	S	*	*			cis	-141.6	-169.7	14.8	0	0	0	0	0	112.7
561	R	33.4	Very low	34.9	Very low	237 Å²	237	128 Å²	128	89%	0.894	77%	0.769	S	S	*	*			trans	-148	178	-169.1	-109.5	-169.2	170.9	-174.3	-1.6	109.3
562	P	58.1	Low	35	Very low	107 Å²	107	127.8 Å²	127.8	70%	0.695	77%	0.768	S	S	*	*			cis	-131.1	-149.2	-39.3	40.6	-22.4	0	0	0	108.9
563	P	42.7	Very low	35.1	Very low	110 Å²	110	131.8 Å²	131.8	71%	0.714	78%	0.776	S	S	*	*			cis	-109.4	151.3	-34	20.4	1.2	0	0	0	112
564	N	34.5	Very low	35.3	Very low	141 Å²	141	133.6 Å²	133.6	75%	0.754	77%	0.772	S	S	*	*			cis	74.1	138.7	48.7	-169	70.7	0	0	0	113.2
565	P	44.7	Very low	34.3	Very low	111 Å²	111	136.4 Å²	136.4	72%	0.721	77%	0.768	S	S	*	*			cis	-118	177.6	3.9	13.4	12.6	0	0	0	114
566	A	30.1	Very low	34.4	Very low	94 Å²	94	138.6 Å²	138.6	78%	0.777	76%	0.762	S	S	*	*			cis	-157.1	175.2	-12.1	0	0	0	0	0	110.2
567	M	34.2	Very low	33.2	Very low	190 Å²	190	140.4 Å²	140.4	94%	0.936	77%	0.771	S	S	*	*			trans	-112.7	-179.4	-166.9	-99.3	-87.8	-77.2	0	0	114.6
568	A	33.3	Very low	33	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	77%	0.77	S	S	*	*			trans	-110.8	174.4	-174.1	0	0	0	0	0	115.2
569	A	32.8	Very low	32.7	Very low	90 Å²	90	139.1 Å²	139.1	74%	0.744	77%	0.77	S	S	*	*			trans	111.7	143.1	142	0	0	0	0	0	121.8
570	L	29.1	Very low	32.6	Very low	157 Å²	157	142.3 Å²	142.3	82%	0.822	77%	0.773	S	S	*	*			trans	85.4	119.3	152.9	-63.9	173.9	0	0	0	124.3
571	T	29.2	Very low	32.9	Very low	123 Å²	123	142.9 Å²	142.9	76%	0.755	77%	0.771	S	S	*	*			trans	21.8	147.6	134.1	50.1	0	0	0	0	122.9
572	S	28.6	Very low	33.1	Very low	99 Å²	99	137.6 Å²	137.6	69%	0.692	77%	0.768	S	S	*	*			cis	-172.3	146.9	3.3	46.9	0	0	0	0	115.1
573	Q	29.9	Very low	32.3	Very low	192 Å²	192	140.3 Å²	140.3	90%	0.897	78%	0.775	S	S	*	*			trans	58.5	139.2	162	-60.2	-173.3	4.1	0	0	118
574	H	28.1	Very low	31.9	Very low	151 Å²	151	140 Å²	140	70%	0.699	78%	0.775	S	S	*	*			cis	-159.9	138.7	34.4	170.7	-97.2	0	0	0	113.6
575	R	26.6	Very low	32	Very low	175 Å²	175	142.9 Å²	142.9	66%	0.66	78%	0.781	S	S	*	*			trans	59.6	120.6	164.6	-77.7	-171.6	125	96.7	12.7	124.4
576	E	27.4	Very low	31.5	Very low	138 Å²	138	147.8 Å²	147.8	65%	0.645	79%	0.785	S	S	*	*			trans	61.2	95.3	130.6	-68.7	158.6	171.9	0	0	122.1
577	T	27.1	Very low	32.2	Very low	149 Å²	149	152.2 Å²	152.2	91%	0.914	79%	0.79	S	S	*	*				-168.1	172.4	111.7	19.7	0	0	0	0	111.5
578	H	27	Very low	32.3	Very low	171 Å²	171	146.2 Å²	146.2	79%	0.792	78%	0.777	S	S	*	*			trans	-81.3	135.5	-167.1	-75	-122	0	0	0	115.1
579	N	28.6	Very low	32.5	Very low	136 Å²	136	151.4 Å²	151.4	73%	0.727	78%	0.778	S	S	*	*				169.8	127.9	106.7	-95.4	-65.8	0	0	0	114.8
580	R	28.9	Very low	33	Very low	236 Å²	236	157.1 Å²	157.1	89%	0.891	78%	0.78	S	S	*	*			trans	53	137.6	159.4	-61.5	-176.2	174.4	-175.3	-2.2	117.4
581	S	36.1	Very low	33.4	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	77%	0.772	S	S	*	*			cis	-146.3	-164.5	30.6	-68.6	0	0	0	0	108.8
582	P	39	Very low	34.1	Very low	126 Å²	126	150 Å²	150	82%	0.818	75%	0.753	S	S	*	*			cis	-128.7	-117.4	-2.1	40.5	-19.4	0	0	0	113.1
583	I	41.3	Very low	34.5	Very low	164 Å²	164	149 Å²	149	84%	0.841	74%	0.74	S	S	*	*			trans	-132.7	134	-169.7	-64.3	164.2	0	0	0	109.7
584	S	33.9	Very low	35.1	Very low	104 Å²	104	144 Å²	144	73%	0.727	72%	0.723	S	S	*	*			trans	-162.3	130.5	158.7	-170.7	0	0	0	0	112.1
585	F	36.8	Very low	35.8	Very low	200 Å²	200	139.9 Å²	139.9	88%	0.877	71%	0.711	S	S	*	*			trans	19.3	94	163.5	-70	-90.6	0	0	0	119.6
586	R	34.1	Very low	36.4	Very low	215 Å²	215	134.8 Å²	134.8	81%	0.811	70%	0.696	S	S	*	*			trans	-140.1	31.4	153.4	-91	-157.9	178	-176.2	2.8	114.3	G588	R586-G588 PolarHBondContact O-N 3.3Å
587	E	43.8	Very low	36.9	Very low	187 Å²	187	132.2 Å²	132.2	87%	0.874	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	116.3	165.1	-157.1	61.1	-100.5	0	0	108.5
588	G	36.3	Very low	37.9	Very low	64 Å²	64	132 Å²	132	66%	0.66	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.5	2.7	-177.9	0	0	0	0	0	118.8	R586	R586-G588 PolarHBondContact O-N 3.3Å
589	R	37.8	Very low	38.7	Very low	194 Å²	194	125.5 Å²	125.5	73%	0.732	66%	0.659	S	S	*	*	S	Bend	trans	-128.4	43.1	174.6	-61.1	-163.2	-166	-174.2	3.3	114.4
590	R	43	Very low	39.5	Very low	211 Å²	211	122.8 Å²	122.8	80%	0.796	64%	0.644	S	S	*	*	S	Bend	trans	-140.7	-21.2	173	-75.5	-165.9	170.6	-136.5	-3.8	116	T594	R590-T594 PolarHBondContact O-OG1 3.46Å
591	A	38.1	Very low	40.2	Very low	79 Å²	79	115.6 Å²	115.6	65%	0.653	63%	0.626	S	S	*	*	H	α-helix	trans	-79.4	-32.3	-179.4	0	0	0	0	0	114	T594 S595	A591-T594 PolarHBondContact O-OG1 2.78Å; A591-S595 WeakPolarHBondContact O-CB 3.43Å; A591-S595 PolarHBondContact O-N 3.43Å; A591-S595 PolarHBondContact O-OG 2.72Å
592	S	43.3	Very low	40.9	Very low	51 Å²	51	113.1 Å²	113.1	36%	0.357	61%	0.612	S	S	.	*	H	α-helix	trans	-66.6	-46	177.1	47.8	0	0	0	0	112.3	S595 L596	S592-S595 PolarHBondContact O-N 2.88Å; S592-S595 PolarHBondContact O-OG 3.24Å; S592-S595 VanDerWaalsContact O-OG 3.11Å; S592-L596 VanDerWaalsContact O-CB 3.23Å; S592-L596 WeakPolarHBondContact O-CB 3.35Å; S592-L596 PolarHBondContact O-N 2.86Å
593	D	38.1	Very low	41.1	Very low	79 Å²	79	108.4 Å²	108.4	42%	0.422	58%	0.579	S	S	.	*	H	α-helix	trans	-82.9	-32.1	-163.1	-53.3	-8.7	0	0	0	110.9	T597	D593-T597 WeakPolarHBondContact O-CB 3.39Å; D593-T597 PolarHBondContact O-N 2.9Å; D593-T597 PolarHBondContact O-OG1 3.05Å
594	T	42.1	Very low	41.3	Very low	87 Å²	87	106.4 Å²	106.4	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-44.3	170.4	46.4	0	0	0	0	111.8	R590 A591 Q598	R590-T594 PolarHBondContact O-OG1 3.46Å; A591-T594 PolarHBondContact O-OG1 2.78Å; T594-Q598 WeakPolarHBondContact O-CB 3.28Å; T594-Q598 WeakPolarHBondContact O-CG 3.36Å; T594-Q598 PolarHBondContact O-N 2.88Å
595	S	43.5	Very low	41.9	Very low	64 Å²	64	107 Å²	107	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-74.7	-33	178.4	59.5	0	0	0	0	113.5	A591 S592 G599	A591-S595 WeakPolarHBondContact O-CB 3.43Å; A591-S595 PolarHBondContact O-N 3.43Å; A591-S595 PolarHBondContact O-OG 2.72Å; S592-S595 PolarHBondContact O-N 2.88Å; S592-S595 PolarHBondContact O-OG 3.24Å; S592-S595 VanDerWaalsContact O-OG 3.11Å; S595-G599 PolarHBondContact O-N 3.17Å
596	L	38.9	Very low	42.6	Very low	67 Å²	67	99.8 Å²	99.8	35%	0.351	52%	0.521	S	S	.	.	H	α-helix	trans	-70.6	-37.7	171.4	-176.7	63.5	0	0	0	111.7	Y239 F240 S592 G599 L600	Y239-L596 HydrophobicContact CE1-CD2 4.46Å; F240-L596 HydrophobicContact CE1-CD2 4.4Å; S592-L596 VanDerWaalsContact O-CB 3.23Å; S592-L596 WeakPolarHBondContact O-CB 3.35Å; S592-L596 PolarHBondContact O-N 2.86Å; L596-G599 CarbonylContact O-C 3.43Å; L596-G599 WeakPolarHBondContact O-CA 3.49Å; L596-G599 PolarHBondContact O-N 3.36Å; L596-L600 PolarHBondContact O-N 3.48Å
597	T	38.5	Very low	43.2	Very low	85 Å²	85	89.9 Å²	89.9	52%	0.521	48%	0.484	S	S	.	.	H	α-helix	trans	-71.8	-40.4	175.7	-55.4	0	0	0	0	111.3	D593 G599 L600 V601	D593-T597 WeakPolarHBondContact O-CB 3.39Å; D593-T597 PolarHBondContact O-N 2.9Å; D593-T597 PolarHBondContact O-OG1 3.05Å; T597-G599 VanDerWaalsContact C-N 3.26Å; T597-G599 PolarHBondContact O-N 2.78Å; T597-L600 PolarHBondContact O-N 3.17Å; T597-V601 WeakPolarHBondContact O-CG2 3.41Å; T597-V601 PolarHBondContact O-N 2.73Å
598	Q	47.5	Very low	43	Very low	143 Å²	143	87.4 Å²	87.4	67%	0.668	47%	0.472	S	S	*	.	H	α-helix	trans	-60.3	-37.9	166.8	-81.4	-174.7	-24.7	0	0	111.4	T594 V601 A602	T594-Q598 WeakPolarHBondContact O-CB 3.28Å; T594-Q598 WeakPolarHBondContact O-CG 3.36Å; T594-Q598 PolarHBondContact O-N 2.88Å; Q598-V601 PolarHBondContact O-N 2.7Å; Q598-A602 WeakPolarHBondContact O-CB 3.26Å; Q598-A602 PolarHBondContact O-N 2.68Å
599	G	43.2	Very low	43.4	Very low	36 Å²	36	88.5 Å²	88.5	37%	0.371	46%	0.463	S	S	.	.	H	α-helix	trans	-58.2	-45.6	171.2	0	0	0	0	0	112.4	S595 L596 T597 F603	S595-G599 PolarHBondContact O-N 3.17Å; L596-G599 CarbonylContact O-C 3.43Å; L596-G599 WeakPolarHBondContact O-CA 3.49Å; L596-G599 PolarHBondContact O-N 3.36Å; T597-G599 VanDerWaalsContact C-N 3.26Å; T597-G599 PolarHBondContact O-N 2.78Å; G599-F603 WeakPolarHBondContact O-CA 3.3Å; G599-F603 WeakPolarHBondContact O-CB 3.43Å; G599-F603 PolarHBondContact O-N 3.25Å
600	L	44.8	Very low	43.7	Very low	79 Å²	79	81.2 Å²	81.2	41%	0.414	44%	0.438	S	S	.	.	H	α-helix	trans	-68.6	-35.8	177	-115.9	72.1	0	0	0	113.4	L596 T597 R604	L596-L600 PolarHBondContact O-N 3.48Å; T597-L600 PolarHBondContact O-N 3.17Å; L600-R604 WeakPolarHBondContact O-CB 3.09Å; L600-R604 VanDerWaalsContact O-CG 3.31Å; L600-R604 WeakPolarHBondContact O-CG 3.4Å; L600-R604 PolarHBondContact O-N 2.73Å
601	V	45.4	Very low	43.3	Very low	85 Å²	85	73.4 Å²	73.4	52%	0.515	42%	0.419	S	S	.	.	H	α-helix	trans	-74.4	-45.5	177.3	171.5	0	0	0	0	110.6	T597 Q598 F603 R604 Q605	T597-V601 WeakPolarHBondContact O-CG2 3.41Å; T597-V601 PolarHBondContact O-N 2.73Å; Q598-V601 PolarHBondContact O-N 2.7Å; V601-F603 VanDerWaalsContact C-N 3.31Å; V601-F603 PolarHBondContact O-N 3.41Å; V601-R604 PolarHBondContact O-N 3.01Å; V601-Q605 WeakPolarHBondContact O-CB 3.47Å; V601-Q605 PolarHBondContact O-N 3.16Å
602	A	48.8	Very low	43.2	Very low	56 Å²	56	79.8 Å²	79.8	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-62.3	-39.1	172.6	0	0	0	0	0	111	Q598 Q605 H606	Q598-A602 WeakPolarHBondContact O-CB 3.26Å; Q598-A602 PolarHBondContact O-N 2.68Å; A602-Q605 PolarHBondContact O-N 3.48Å; A602-H606 WeakPolarHBondContact O-CA 3.48Å; A602-H606 WeakPolarHBondContact O-CB 3.04Å; A602-H606 PolarHBondContact O-N 3.37Å
603	F	44.5	Very low	42.9	Very low	26 Å²	26	80.8 Å²	80.8	11%	0.114	43%	0.43	C	S	.	.	H	α-helix	trans	-62.5	-49.7	171.3	177	-116.8	0	0	0	111.2	G214 G599 V601 Q605 H606 L607	G214-F603 VanDerWaalsContact C-CZ 3.45Å; G214-F603 WeakPolarHBondContact O-CD1 3.43Å; G214-F603 WeakPolarHBondContact O-CE1 3.39Å; G214-F603 VanDerWaalsContact O-CG 3.25Å; G214-F603 WeakPolarHBondContact O-CG 3.34Å; G214-F603 WeakPolarHBondContact O-CZ 3.31Å; G599-F603 WeakPolarHBondContact O-CA 3.3Å; G599-F603 WeakPolarHBondContact O-CB 3.43Å; G599-F603 PolarHBondContact O-N 3.25Å; V601-F603 VanDerWaalsContact C-N 3.31Å; V601-F603 PolarHBondContact O-N 3.41Å; F603-Q605 VanDerWaalsContact C-N 3.26Å; F603-Q605 PolarHBondContact O-N 3.28Å; F603-H606 CarbonylContact O-C 3.6Å; F603-H606 PolarHBondContact O-N 2.81Å; F603-L607 HydrophobicContact CD1-CD1 3.51Å; F603-L607 HydrophobicContact CD1-CG 4.22Å; F603-L607 HydrophobicContact CD2-CD1 4.17Å; F603-L607 HydrophobicContact CD2-CD2 4.38Å; F603-L607 HydrophobicContact CD2-CG 3.96Å; F603-L607 HydrophobicContact CE1-CD1 3.28Å; F603-L607 HydrophobicContact CE1-CD2 4.31Å; F603-L607 HydrophobicContact CE1-CG 4.02Å; F603-L607 HydrophobicContact CE2-CD1 3.96Å; F603-L607 HydrophobicContact CE2-CD2 3.68Å; F603-L607 HydrophobicContact CE2-CG 3.73Å; F603-L607 HydrophobicContact CG-CD1 3.97Å; F603-L607 HydrophobicContact CG-CG 4.21Å; F603-L607 HydrophobicContact CZ-CD1 3.53Å; F603-L607 HydrophobicContact CZ-CD2 3.65Å; F603-L607 HydrophobicContact CZ-CG 3.78Å; F603-L607 VanDerWaalsContact O-CB 3.29Å; F603-L607 WeakPolarHBondContact O-CB 3.34Å; F603-L607 WeakPolarHBondContact O-CG 3.28Å; F603-L607 PolarHBondContact O-N 3.48Å
604	R	45.7	Very low	42.7	Very low	123 Å²	123	81.8 Å²	81.8	46%	0.464	43%	0.431	S	S	.	.	H	α-helix	trans	-57	-38.2	175	-79.9	176.4	172.2	-132.6	-10.9	112.7	K111 L600 V601 Q608	K111-R604 PolarHBondContact O-NH2 2.82Å; L600-R604 WeakPolarHBondContact O-CB 3.09Å; L600-R604 VanDerWaalsContact O-CG 3.31Å; L600-R604 WeakPolarHBondContact O-CG 3.4Å; L600-R604 PolarHBondContact O-N 2.73Å; V601-R604 PolarHBondContact O-N 3.01Å; R604-Q608 WeakPolarHBondContact O-CB 3.45Å; R604-Q608 WeakPolarHBondContact O-CG 3.48Å; R604-Q608 PolarHBondContact O-N 3.24Å; R604-Q608 VanDerWaalsContact O-N 3.09Å
605	Q	46.3	Very low	42.6	Very low	117 Å²	117	79.4 Å²	79.4	55%	0.547	42%	0.423	S	S	.	.	H	α-helix	trans	-77.1	-34.5	178.1	-161.3	164.9	15.1	0	0	112.5	V601 A602 F603 Q608 N609	V601-Q605 WeakPolarHBondContact O-CB 3.47Å; V601-Q605 PolarHBondContact O-N 3.16Å; A602-Q605 PolarHBondContact O-N 3.48Å; F603-Q605 VanDerWaalsContact C-N 3.26Å; F603-Q605 PolarHBondContact O-N 3.28Å; Q605-Q608 PolarHBondContact O-N 3.05Å; Q605-N609 WeakPolarHBondContact O-CB 3.32Å; Q605-N609 PolarHBondContact O-N 2.67Å; Q605-N609 PolarHBondContact O-ND2 3.28Å
606	H	50.5	Low	42.3	Very low	47 Å²	47	81.9 Å²	81.9	22%	0.218	43%	0.43	C	S	.	.	H	α-helix	trans	-69.1	-42.6	173.6	178.9	109.3	0	0	0	111.1	D219 A602 F603 N609 L610	D219-H606 IonicContact OD1-CE1 2.62Å; D219-H606 PolarHBondContact OD1-CE1 3.14Å; D219-H606 VanDerWaalsContact OD1-CE1 3.25Å; D219-H606 IonicContact OD1-ND1 2.6Å; D219-H606 IonicContact OD2-CE1 2.64Å; D219-H606 IonicContact OD2-ND1 2.66Å; A602-H606 WeakPolarHBondContact O-CA 3.48Å; A602-H606 WeakPolarHBondContact O-CB 3.04Å; A602-H606 PolarHBondContact O-N 3.37Å; F603-H606 CarbonylContact O-C 3.6Å; F603-H606 PolarHBondContact O-N 2.81Å; H606-N609 CarbonylContact O-C 2.94Å; H606-N609 PolarHBondContact O-N 2.69Å; H606-N609 VanDerWaalsContact O-N 3.13Å; H606-L610 WeakPolarHBondContact NE2-CD1 3.41Å; H606-L610 PolarHBondContact O-N 3.47Å
607	L	46.3	Very low	42.3	Very low	7 Å²	7	82.5 Å²	82.5	4%	0.037	43%	0.434	C	S	.	.	H	α-helix	trans	-56.5	-48.6	169.8	-73.3	166.4	0	0	0	111.3	F106 A110 F603 N609 L610 A611	F106-L607 HydrophobicContact CD1-CD2 4.05Å; F106-L607 HydrophobicContact CD2-CD2 3.97Å; F106-L607 HydrophobicContact CE1-CB 4.38Å; F106-L607 HydrophobicContact CE1-CD2 3.58Å; F106-L607 HydrophobicContact CE2-CD2 3.5Å; F106-L607 HydrophobicContact CG-CD2 4.23Å; F106-L607 HydrophobicContact CZ-CB 4.34Å; F106-L607 HydrophobicContact CZ-CD2 3.29Å; F106-L607 HydrophobicContact CZ-CG 4.37Å; A110-L607 HydrophobicContact CB-CB 4.43Å; A110-L607 HydrophobicContact CB-CD1 3.57Å; A110-L607 HydrophobicContact CB-CD2 4.39Å; A110-L607 HydrophobicContact CB-CG 4.36Å; F603-L607 HydrophobicContact CD1-CD1 3.51Å; F603-L607 HydrophobicContact CD1-CG 4.22Å; F603-L607 HydrophobicContact CD2-CD1 4.17Å; F603-L607 HydrophobicContact CD2-CD2 4.38Å; F603-L607 HydrophobicContact CD2-CG 3.96Å; F603-L607 HydrophobicContact CE1-CD1 3.28Å; F603-L607 HydrophobicContact CE1-CD2 4.31Å; F603-L607 HydrophobicContact CE1-CG 4.02Å; F603-L607 HydrophobicContact CE2-CD1 3.96Å; F603-L607 HydrophobicContact CE2-CD2 3.68Å; F603-L607 HydrophobicContact CE2-CG 3.73Å; F603-L607 HydrophobicContact CG-CD1 3.97Å; F603-L607 HydrophobicContact CG-CG 4.21Å; F603-L607 HydrophobicContact CZ-CD1 3.53Å; F603-L607 HydrophobicContact CZ-CD2 3.65Å; F603-L607 HydrophobicContact CZ-CG 3.78Å; F603-L607 VanDerWaalsContact O-CB 3.29Å; F603-L607 WeakPolarHBondContact O-CB 3.34Å; F603-L607 WeakPolarHBondContact O-CG 3.28Å; F603-L607 PolarHBondContact O-N 3.48Å; L607-N609 PolarHBondContact O-N 3.34Å; L607-L610 PolarHBondContact O-N 2.8Å; L607-A611 VanDerWaalsContact O-CB 3.31Å; L607-A611 WeakPolarHBondContact O-CB 3.2Å; L607-A611 PolarHBondContact O-N 3.36Å
608	Q	40.9	Very low	42.6	Very low	136 Å²	136	82.5 Å²	82.5	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-63	-31	175.8	-76	171.9	5.1	0	0	112.5	R604 Q605 R612	R604-Q608 WeakPolarHBondContact O-CB 3.45Å; R604-Q608 WeakPolarHBondContact O-CG 3.48Å; R604-Q608 PolarHBondContact O-N 3.24Å; R604-Q608 VanDerWaalsContact O-N 3.09Å; Q605-Q608 PolarHBondContact O-N 3.05Å; Q608-R612 WeakPolarHBondContact O-CB 3.34Å; Q608-R612 PolarHBondContact O-N 3.27Å
609	N	44.7	Very low	42.5	Very low	87 Å²	87	76 Å²	76	47%	0.465	40%	0.397	S	S	.	.	H	α-helix	trans	-77.2	-41.9	174.3	-71.5	-24.2	0	0	0	112.3	Q605 H606 L607 R612 T613	Q605-N609 WeakPolarHBondContact O-CB 3.32Å; Q605-N609 PolarHBondContact O-N 2.67Å; Q605-N609 PolarHBondContact O-ND2 3.28Å; H606-N609 CarbonylContact O-C 2.94Å; H606-N609 PolarHBondContact O-N 2.69Å; H606-N609 VanDerWaalsContact O-N 3.13Å; L607-N609 PolarHBondContact O-N 3.34Å; N609-R612 CarbonylContact O-C 3.59Å; N609-R612 VanDerWaalsContact O-CA 3.31Å; N609-R612 WeakPolarHBondContact O-CA 3.27Å; N609-R612 VanDerWaalsContact O-CB 3.24Å; N609-R612 WeakPolarHBondContact O-CB 3.35Å; N609-R612 PolarHBondContact O-N 2.89Å; N609-T613 PolarHBondContact O-N 3.45Å; N609-T613 PolarHBondContact O-OG1 2.89Å
610	L	42.9	Very low	42.4	Very low	41 Å²	41	79.6 Å²	79.6	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-62.4	-43.7	174.8	-111.3	67.5	0	0	0	111.7	F106 H606 L607 R612 T613 K614	F106-L610 HydrophobicContact CE2-CB 4.48Å; F106-L610 HydrophobicContact CE2-CD2 3.8Å; F106-L610 HydrophobicContact CZ-CB 3.69Å; F106-L610 HydrophobicContact CZ-CD2 3.87Å; F106-L610 HydrophobicContact CZ-CG 4.44Å; H606-L610 WeakPolarHBondContact NE2-CD1 3.41Å; H606-L610 PolarHBondContact O-N 3.47Å; L607-L610 PolarHBondContact O-N 2.8Å; L610-R612 PolarHBondContact O-N 2.78Å; L610-R612 VanDerWaalsContact O-N 3.14Å; L610-T613 WeakPolarHBondContact CA-OG1 3.3Å; L610-T613 CarbonylContact O-C 3.53Å; L610-T613 PolarHBondContact O-N 3.22Å; L610-T613 PolarHBondContact O-OG1 3.48Å; L610-K614 PolarHBondContact O-N 2.81Å
611	A	35.5	Very low	42.1	Very low	46 Å²	46	81.3 Å²	81.3	38%	0.38	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.3	172	0	0	0	0	0	112.6	L607	L607-A611 VanDerWaalsContact O-CB 3.31Å; L607-A611 WeakPolarHBondContact O-CB 3.2Å; L607-A611 PolarHBondContact O-N 3.36Å
612	R	35.5	Very low	42	Very low	213 Å²	213	77.7 Å²	77.7	80%	0.804	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.1	175.3	-156.3	175.2	-165.7	142.7	4.7	113.5	Q608 N609 L610	Q608-R612 WeakPolarHBondContact O-CB 3.34Å; Q608-R612 PolarHBondContact O-N 3.27Å; N609-R612 CarbonylContact O-C 3.59Å; N609-R612 VanDerWaalsContact O-CA 3.31Å; N609-R612 WeakPolarHBondContact O-CA 3.27Å; N609-R612 VanDerWaalsContact O-CB 3.24Å; N609-R612 WeakPolarHBondContact O-CB 3.35Å; N609-R612 PolarHBondContact O-N 2.89Å; L610-R612 PolarHBondContact O-N 2.78Å; L610-R612 VanDerWaalsContact O-N 3.14Å
613	T	36.7	Very low	41.7	Very low	73 Å²	73	79.7 Å²	79.7	45%	0.448	39%	0.39	S	S	.	.			trans	-115.1	33.2	176.2	61.9	0	0	0	0	112.6	N609 L610 G615	N609-T613 PolarHBondContact O-N 3.45Å; N609-T613 PolarHBondContact O-OG1 2.89Å; L610-T613 WeakPolarHBondContact CA-OG1 3.3Å; L610-T613 CarbonylContact O-C 3.53Å; L610-T613 PolarHBondContact O-N 3.22Å; L610-T613 PolarHBondContact O-OG1 3.48Å; T613-G615 PolarHBondContact O-N 3.41Å
614	K	34.1	Very low	41.4	Very low	100 Å²	100	83.9 Å²	83.9	44%	0.435	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	95.9	166	-76.2	-171.2	171.1	177.3	0	109.5	E104 L610	E104-K614 IonicContact OE1-NZ 3.72Å; E104-K614 PolarHBondContact OE1-NZ 2.8Å; E104-K614 IonicContact OE2-NZ 3.97Å; E104-K614 PolarHBondContact OE2-NZ 2.92Å; L610-K614 PolarHBondContact O-N 2.81Å
615	G	39.5	Very low	41.2	Very low	36 Å²	36	81.7 Å²	81.7	37%	0.371	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	146.9	26.8	-177.5	0	0	0	0	0	116.6	N31 T613	N31-G615 PolarHBondContact ND2-O 3.32Å; N31-G615 WeakPolarHBondContact OD1-CA 3.48Å; T613-G615 PolarHBondContact O-N 3.41Å
616	I	37.1	Very low	41.2	Very low	116 Å²	116	78.3 Å²	78.3	60%	0.595	40%	0.396	S	S	*	.			trans	-108.6	77.1	172.2	-50.8	-178.5	0	0	0	110.1
617	L	39.1	Very low	41.1	Very low	81 Å²	81	81.5 Å²	81.5	42%	0.424	41%	0.41	S	S	.	.			trans	-52.4	135.3	134.5	-87.8	156.7	0	0	0	107.4	F32 F164	F32-L617 HydrophobicContact CE2-CD1 4.19Å; F164-L617 HydrophobicContact CE1-CD2 3.66Å; F164-L617 HydrophobicContact CZ-CD2 3.54Å; F164-L617 HydrophobicContact CZ-CG 4.21Å
618	E	45.4	Very low	40.6	Very low	84 Å²	84	87.8 Å²	87.8	39%	0.393	44%	0.44	S	S	.	.			trans	162.7	60.8	144.8	-88	162.4	160.2	0	0	113.3	K621	E618-K621 HydrophobicContact CB-CB 4.06Å; E618-K621 HydrophobicContact CB-CD 4.37Å; E618-K621 HydrophobicContact CB-CG 4.1Å; E618-K621 VanDerWaalsContact CD-CD 3.48Å; E618-K621 HydrophobicContact CG-CB 4.41Å; E618-K621 HydrophobicContact CG-CD 4.19Å; E618-K621 HydrophobicContact CG-CG 3.92Å; E618-K621 PolarHBondContact O-N 2.79Å; E618-K621 WeakPolarHBondContact OE1-CE 3.33Å; E618-K621 IonicContact OE1-NZ 2.65Å; E618-K621 PolarHBondContact OE1-NZ 3.17Å; E618-K621 VanDerWaalsContact OE2-CD 3.28Å; E618-K621 WeakPolarHBondContact OE2-CD 3.28Å; E618-K621 WeakPolarHBondContact OE2-CE 3.44Å; E618-K621 IonicContact OE2-NZ 2.69Å; E618-K621 PolarHBondContact OE2-NZ 3.32Å
619	L	46.2	Very low	40.4	Very low	7 Å²	7	87 Å²	87	4%	0.037	44%	0.438	C	S	.	.	S	Bend	trans	-67.4	-22.6	149.6	-69.8	175.7	0	0	0	111	W177 C178 P181 V188 F189 K621 V622 Q623	W177-L619 HydrophobicContact CB-CB 4Å; W177-L619 HydrophobicContact CE3-CB 4.36Å; C178-L619 VanDerWaalsContact O-CD1 3.31Å; C178-L619 WeakPolarHBondContact O-CD1 3.48Å; P181-L619 HydrophobicContact CG-CD2 4.06Å; P181-L619 HydrophobicContact CG-CG 4.46Å; V188-L619 HydrophobicContact CG1-CD1 3.92Å; F189-L619 HydrophobicContact CE1-CD2 4.42Å; L619-K621 VanDerWaalsContact C-N 3.28Å; L619-K621 PolarHBondContact O-N 3.43Å; L619-V622 HydrophobicContact CD2-CG2 3.95Å; L619-V622 WeakPolarHBondContact O-CA 3.41Å; L619-V622 WeakPolarHBondContact O-CB 3.01Å; L619-V622 PolarHBondContact O-N 3.2Å; L619-Q623 PolarHBondContact O-N 2.98Å
620	N	40.1	Very low	40	Very low	111 Å²	111	86.1 Å²	86.1	59%	0.594	45%	0.449	S	S	*	.	H	α-helix	trans	-62.6	-26.7	172.1	-66.6	22.6	0	0	0	113.9	V622	N620-V622 VanDerWaalsContact C-N 3.3Å
621	K	39.8	Very low	39.6	Very low	116 Å²	116	89.8 Å²	89.8	50%	0.504	48%	0.478	S	S	.	.	H	α-helix	trans	-77.5	-16	168.6	-76.7	-172.8	179.7	138.5	0	113	E618 L619 Q623 L625	E618-K621 HydrophobicContact CB-CB 4.06Å; E618-K621 HydrophobicContact CB-CD 4.37Å; E618-K621 HydrophobicContact CB-CG 4.1Å; E618-K621 VanDerWaalsContact CD-CD 3.48Å; E618-K621 HydrophobicContact CG-CB 4.41Å; E618-K621 HydrophobicContact CG-CD 4.19Å; E618-K621 HydrophobicContact CG-CG 3.92Å; E618-K621 PolarHBondContact O-N 2.79Å; E618-K621 WeakPolarHBondContact OE1-CE 3.33Å; E618-K621 IonicContact OE1-NZ 2.65Å; E618-K621 PolarHBondContact OE1-NZ 3.17Å; E618-K621 VanDerWaalsContact OE2-CD 3.28Å; E618-K621 WeakPolarHBondContact OE2-CD 3.28Å; E618-K621 WeakPolarHBondContact OE2-CE 3.44Å; E618-K621 IonicContact OE2-NZ 2.69Å; E618-K621 PolarHBondContact OE2-NZ 3.32Å; L619-K621 VanDerWaalsContact C-N 3.28Å; L619-K621 PolarHBondContact O-N 3.43Å; K621-Q623 VanDerWaalsContact C-N 3.34Å; K621-L625 PolarHBondContact O-N 3.07Å
622	V	41.6	Very low	39.3	Very low	8 Å²	8	90.7 Å²	90.7	5%	0.048	49%	0.492	C	S	.	.	H	α-helix	trans	-69.7	-34.1	173.2	-176.1	0	0	0	0	110.5	W177 L223 L619 N620 L625 V626	W177-V622 HydrophobicContact CE3-CB 4.35Å; W177-V622 HydrophobicContact CE3-CG1 4.41Å; W177-V622 HydrophobicContact CH2-CG1 4.21Å; W177-V622 HydrophobicContact CZ3-CB 4.01Å; W177-V622 HydrophobicContact CZ3-CG1 3.59Å; L223-V622 HydrophobicContact CD2-CG2 3.4Å; L223-V622 VanDerWaalsContact CD2-CG2 3.4Å; L223-V622 HydrophobicContact CG-CG2 4.13Å; L619-V622 HydrophobicContact CD2-CG2 3.95Å; L619-V622 WeakPolarHBondContact O-CA 3.41Å; L619-V622 WeakPolarHBondContact O-CB 3.01Å; L619-V622 PolarHBondContact O-N 3.2Å; N620-V622 VanDerWaalsContact C-N 3.3Å; V622-L625 CarbonylContact O-C 3.44Å; V622-L625 PolarHBondContact O-N 2.73Å; V622-L625 VanDerWaalsContact O-N 3.16Å; V622-V626 HydrophobicContact CG1-CG2 3.69Å; V622-V626 WeakPolarHBondContact O-CB 3.4Å; V622-V626 VanDerWaalsContact O-CG2 3.24Å; V622-V626 WeakPolarHBondContact O-CG2 3.43Å; V622-V626 PolarHBondContact O-N 3.24Å
623	Q	42.1	Very low	39.1	Very low	98 Å²	98	88.5 Å²	88.5	46%	0.458	50%	0.496	S	S	.	.	H	α-helix	trans	-54.6	-57	172.8	-179.2	172.3	-1.9	0	0	111.4	L619 K621 L625 V626 E627	L619-Q623 PolarHBondContact O-N 2.98Å; K621-Q623 VanDerWaalsContact C-N 3.34Å; Q623-L625 PolarHBondContact O-N 3.49Å; Q623-V626 PolarHBondContact O-N 2.95Å; Q623-V626 VanDerWaalsContact O-N 3.11Å; Q623-E627 HydrophobicContact CG-CG 4.41Å; Q623-E627 WeakPolarHBondContact CG-OE1 3.46Å; Q623-E627 PolarHBondContact NE2-OE1 3.42Å; Q623-E627 WeakPolarHBondContact O-CB 3.32Å; Q623-E627 WeakPolarHBondContact O-CG 3.38Å; Q623-E627 PolarHBondContact O-N 2.99Å
624	M	39	Very low	38.5	Very low	115 Å²	115	88.9 Å²	88.9	57%	0.567	52%	0.515	S	S	*	.	H	α-helix	trans	-52.6	-38.2	174.7	-80.4	-77.9	-64.3	0	0	113.8	Q628	M624-Q628 WeakPolarHBondContact O-CB 3.18Å; M624-Q628 VanDerWaalsContact O-CG 3.31Å; M624-Q628 WeakPolarHBondContact O-CG 3.45Å; M624-Q628 PolarHBondContact O-N 3.35Å
625	L	41	Very low	38.3	Very low	76 Å²	76	88 Å²	88	40%	0.398	53%	0.525	S	S	.	.	H	α-helix	trans	-78.2	-32.3	179.7	-87.8	160.7	0	0	0	113.3	K621 V622 Q623 M629	K621-L625 PolarHBondContact O-N 3.07Å; V622-L625 CarbonylContact O-C 3.44Å; V622-L625 PolarHBondContact O-N 2.73Å; V622-L625 VanDerWaalsContact O-N 3.16Å; Q623-L625 PolarHBondContact O-N 3.49Å; L625-M629 HydrophobicContact CB-CE 4.39Å; L625-M629 WeakPolarHBondContact O-CB 3.34Å; L625-M629 VanDerWaalsContact O-CE 3.25Å; L625-M629 WeakPolarHBondContact O-CE 3.42Å; L625-M629 WeakPolarHBondContact O-CG 3.29Å; L625-M629 PolarHBondContact O-N 3.1Å; L625-M629 VanDerWaalsContact O-N 3.12Å
626	V	47.5	Very low	37.8	Very low	47 Å²	47	93 Å²	93	29%	0.285	55%	0.549	S	S	.	.	H	α-helix	trans	-74.6	-42.5	176.8	169	0	0	0	0	110.1	V622 Q623 Q628 M629 G630	V622-V626 HydrophobicContact CG1-CG2 3.69Å; V622-V626 WeakPolarHBondContact O-CB 3.4Å; V622-V626 VanDerWaalsContact O-CG2 3.24Å; V622-V626 WeakPolarHBondContact O-CG2 3.43Å; V622-V626 PolarHBondContact O-N 3.24Å; Q623-V626 PolarHBondContact O-N 2.95Å; Q623-V626 VanDerWaalsContact O-N 3.11Å; V626-Q628 VanDerWaalsContact C-N 3.27Å; V626-Q628 PolarHBondContact O-N 3.35Å; V626-M629 CarbonylContact O-C 3.59Å; V626-M629 PolarHBondContact O-N 2.85Å; V626-M629 VanDerWaalsContact O-N 3.08Å; V626-G630 PolarHBondContact O-N 3.34Å
627	E	47	Very low	37.2	Very low	113 Å²	113	93 Å²	93	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-60.8	-36.8	173	-70.4	167.7	-179.4	0	0	111.4	Q623	Q623-E627 HydrophobicContact CG-CG 4.41Å; Q623-E627 WeakPolarHBondContact CG-OE1 3.46Å; Q623-E627 PolarHBondContact NE2-OE1 3.42Å; Q623-E627 WeakPolarHBondContact O-CB 3.32Å; Q623-E627 WeakPolarHBondContact O-CG 3.38Å; Q623-E627 PolarHBondContact O-N 2.99Å
628	Q	36.9	Very low	36.5	Very low	140 Å²	140	92.6 Å²	92.6	65%	0.654	58%	0.575	S	S	*	*	H	α-helix	trans	-71.8	-25.6	172.4	-78.8	-176.1	-1.5	0	0	115	M624 V626	M624-Q628 WeakPolarHBondContact O-CB 3.18Å; M624-Q628 VanDerWaalsContact O-CG 3.31Å; M624-Q628 WeakPolarHBondContact O-CG 3.45Å; M624-Q628 PolarHBondContact O-N 3.35Å; V626-Q628 VanDerWaalsContact C-N 3.27Å; V626-Q628 PolarHBondContact O-N 3.35Å
629	M	36.8	Very low	35.5	Very low	120 Å²	120	96.3 Å²	96.3	59%	0.591	60%	0.596	S	S	*	*	H	α-helix	trans	-96	-13.9	179.1	-71.6	-174.2	-68.7	0	0	113.8	L625 V626	L625-M629 HydrophobicContact CB-CE 4.39Å; L625-M629 WeakPolarHBondContact O-CB 3.34Å; L625-M629 VanDerWaalsContact O-CE 3.25Å; L625-M629 WeakPolarHBondContact O-CE 3.42Å; L625-M629 WeakPolarHBondContact O-CG 3.29Å; L625-M629 PolarHBondContact O-N 3.1Å; L625-M629 VanDerWaalsContact O-N 3.12Å; V626-M629 CarbonylContact O-C 3.59Å; V626-M629 PolarHBondContact O-N 2.85Å; V626-M629 VanDerWaalsContact O-N 3.08Å
630	G	35.7	Very low	34.4	Very low	68 Å²	68	104 Å²	104	70%	0.701	64%	0.636	S	S	*	*	S	Bend	trans	-81.5	-10.4	-179.3	0	0	0	0	0	115.3	V626 G632	V626-G630 PolarHBondContact O-N 3.34Å; G630-G632 PolarHBondContact O-N 3.36Å
631	S	34.4	Very low	33.4	Very low	117 Å²	117	102 Å²	102	82%	0.818	64%	0.642	S	S	*	*			trans	-97.3	77.7	-178.8	-156.7	0	0	0	0	110.8
632	G	30.4	Very low	33.4	Very low	66 Å²	66	101.9 Å²	101.9	68%	0.68	65%	0.654	S	S	*	*			trans	-154	89.1	-171.1	0	0	0	0	0	114.7	G630	G630-G632 PolarHBondContact O-N 3.36Å
633	D	30.9	Very low	32.6	Very low	167 Å²	167	109 Å²	109	89%	0.893	69%	0.686	S	S	*	*			trans	64.7	138.8	168.2	-90.5	-42.9	0	0	0	121
634	G	24.9	Very low	31.9	Very low	81 Å²	81	111 Å²	111	84%	0.835	70%	0.695	S	S	*	*			trans	176.6	40	-177.1	0	0	0	0	0	112.3
635	A	28.5	Very low	31.3	Very low	80 Å²	80	112.9 Å²	112.9	66%	0.661	70%	0.702	S	S	*	*			trans	-91.5	-176.1	-172.3	0	0	0	0	0	113.9
636	V	29.3	Very low	30.5	Very low	141 Å²	141	115.7 Å²	115.7	86%	0.855	72%	0.717	S	S	*	*			trans	83	125.4	-179.1	-176	0	0	0	0	113.7
637	S	24.8	Very low	29.5	Very low	117 Å²	117	120.7 Å²	120.7	82%	0.818	74%	0.737	S	S	*	*			cis	-163.4	154.5	-12.5	-104.4	0	0	0	0	109.6
638	G	23.3	Very low	28.6	Very low	73 Å²	73	119.8 Å²	119.8	75%	0.753	74%	0.736	S	S	*	*			trans	-158.5	7	-167.7	0	0	0	0	0	123.3
639	L	24.8	Very low	28	Very low	161 Å²	161	120.8 Å²	120.8	84%	0.843	75%	0.745	S	S	*	*			trans	59.6	137.7	162.2	-82	164.2	0	0	0	122.4
640	L	23.5	Very low	27.8	Very low	168 Å²	168	120.9 Å²	120.9	88%	0.88	75%	0.747	S	S	*	*			trans	75.6	140.4	153.3	-62.1	163.7	0	0	0	120.8
641	G	19.8	Very low	27.3	Very low	69 Å²	69	127 Å²	127	71%	0.711	76%	0.757	S	S	*	*			trans	-104.4	-150	166.7	0	0	0	0	0	111.6
642	P	39.2	Very low	27	Very low	115 Å²	115	124.1 Å²	124.1	75%	0.747	75%	0.747	S	S	*	*			cis	-146.7	178.8	30	45.4	-27.1	0	0	0	117.8
643	Q	25.6	Very low	27	Very low	156 Å²	156	130.5 Å²	130.5	73%	0.729	76%	0.759	S	S	*	*			trans	60.6	141.4	158.5	-66.8	172.4	13.2	0	0	117.9
644	H	26.1	Very low	26.8	Very low	141 Å²	141	126.9 Å²	126.9	65%	0.653	75%	0.752	S	S	*	*				-162.3	146.1	51.9	-99.3	-83.3	0	0	0	113.2
645	H	26.9	Very low	26.8	Very low	155 Å²	155	128.7 Å²	128.7	72%	0.718	75%	0.75	S	S	*	*			trans	49	143.4	130.2	-74.4	42.1	0	0	0	121.5
646	L	24.5	Very low	26.8	Very low	135 Å²	135	133.6 Å²	133.6	71%	0.707	76%	0.757	S	S	*	*			cis	-165.3	149	-7.3	-163	127.2	0	0	0	111.1
647	H	26	Very low	26.6	Very low	151 Å²	151	135.4 Å²	135.4	70%	0.699	76%	0.756	S	S	*	*			trans	-1.8	163.4	143	-105.4	-1.8	0	0	0	121.3
648	N	28.8	Very low	26.7	Very low	95 Å²	95	136.9 Å²	136.9	51%	0.508	75%	0.75	S	S	.	*			cis	-167.3	-174.8	-1.3	-148.4	1.2	0	0	0	112.6
649	L	24.8	Very low	26.8	Very low	160 Å²	160	141.7 Å²	141.7	84%	0.838	75%	0.753	S	S	*	*			trans	114.1	103.7	163.5	-73.5	148	0	0	0	113.8
650	L	30.9	Very low	26.8	Very low	122 Å²	122	137.1 Å²	137.1	64%	0.639	75%	0.745	S	S	*	*			cis	89.9	107.5	9.4	-147.3	-180	0	0	0	116.4
651	E	25.6	Very low	27	Very low	196 Å²	196	137.6 Å²	137.6	92%	0.916	75%	0.747	S	S	*	*			trans	-171.9	141.6	146.6	-107.9	171.9	-159.7	0	0	108.8
652	G	27.8	Very low	27.3	Very low	58 Å²	58	138.2 Å²	138.2	60%	0.598	75%	0.746	S	S	*	*			cis	-177.1	147.2	-11.6	0	0	0	0	0	113.5
653	E	31.1	Very low	26.7	Very low	200 Å²	200	140.8 Å²	140.8	94%	0.935	75%	0.752	S	S	*	*			trans	62	154	155.4	-55.6	-145.7	125.2	0	0	119.9
654	A	26.7	Very low	26.8	Very low	90 Å²	90	143.8 Å²	143.8	74%	0.744	76%	0.758	S	S	*	*			cis	-165.2	171.1	-3.7	0	0	0	0	0	109.2
655	C	25	Very low	27.5	Very low	120 Å²	120	143.1 Å²	143.1	81%	0.811	77%	0.767	S	S	*	*			cis	-176.5	174.7	-25.9	-172.5	0	0	0	0	109
656	K	27.4	Very low	27.4	Very low	182 Å²	182	139.3 Å²	139.3	79%	0.791	77%	0.769	S	S	*	*			trans	86.1	128.3	164.5	-73.4	177.3	177.5	171.3	0	122.4
657	Q	26.1	Very low	27.5	Very low	179 Å²	179	142.6 Å²	142.6	84%	0.836	78%	0.781	S	S	*	*			trans	68.7	154.2	150.8	-69.7	176.4	-47.5	0	0	120.1
658	Q	26.2	Very low	27.6	Very low	149 Å²	149	140.2 Å²	140.2	70%	0.696	79%	0.788	S	S	*	*			cis	177.8	154.4	-45.9	164.8	166.4	-29.3	0	0	107.8
659	E	26.1	Very low	27.6	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.813	81%	0.805	S	S	*	*			trans	68.5	146.6	179.1	-74.1	145.9	-137.9	0	0	116.1
660	G	25.3	Very low	28.1	Very low	65 Å²	65	142.1 Å²	142.1	67%	0.67	80%	0.798	S	S	*	*			cis	-175.9	117.7	-7.2	0	0	0	0	0	115.4
661	L	26.8	Very low	28.2	Very low	178 Å²	178	142.6 Å²	142.6	93%	0.932	81%	0.809	S	S	*	*			trans	42.2	114	137.6	-77.8	164.6	0	0	0	121.9
662	A	27.2	Very low	28.4	Very low	82 Å²	82	141.2 Å²	141.2	68%	0.678	81%	0.807	S	S	*	*				127.5	155.2	102.2	0	0	0	0	0	120.2
663	L	26.5	Very low	28.8	Very low	169 Å²	169	147 Å²	147	89%	0.885	82%	0.823	S	S	*	*			trans	79	115.2	152	-74.8	155.4	0	0	0	122.2
664	Y	27.4	Very low	28.8	Very low	218 Å²	218	143 Å²	143	86%	0.855	82%	0.817	S	S	*	*			trans	-61.7	164.8	142.1	-85.8	-91.2	0	0	0	110.5
665	P	40.2	Very low	29.2	Very low	128 Å²	128	149.9 Å²	149.9	83%	0.831	82%	0.824	S	S	*	*			cis	-145.6	-167	34	44	-24.1	0	0	0	116.1
666	G	25.9	Very low	29.6	Very low	75 Å²	75	156 Å²	156	77%	0.773	83%	0.83	S	S	*	*			trans	138.5	123.7	155.2	0	0	0	0	0	115.3
667	E	26.6	Very low	30	Very low	203 Å²	203	155.5 Å²	155.5	95%	0.949	83%	0.83	S	S	*	*			trans	-89.7	137.1	174.4	-62.6	174.3	104.3	0	0	112.1
668	A	26.9	Very low	30.7	Very low	102 Å²	102	150.1 Å²	150.1	84%	0.843	81%	0.813	S	S	*	*			trans	-161.8	132.1	152.6	0	0	0	0	0	111.4
669	Q	28.8	Very low	31.6	Very low	187 Å²	187	149.9 Å²	149.9	87%	0.874	82%	0.815	S	S	*	*			trans	-91.5	171.8	161.9	-61	-175.4	-0	0	0	109.9
670	P	35	Very low	32.3	Very low	107 Å²	107	148.3 Å²	148.3	70%	0.695	81%	0.808	S	S	*	*				-122.4	162.9	-52.1	36.5	-25.1	0	0	0	110.9
671	P	32.9	Very low	33.1	Very low	132 Å²	132	149.7 Å²	149.7	86%	0.857	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-75.9	139.9	178.7	30.5	-34.5	0	0	0	113
672	L	30.1	Very low	33.9	Very low	168 Å²	168	148.1 Å²	148.1	88%	0.88	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.9	162.4	167.8	-76.4	168.4	0	0	0	112.1
673	L	37	Very low	34.4	Very low	180 Å²	180	152.3 Å²	152.3	94%	0.942	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-51.6	133.1	-175.7	-63.5	164.2	0	0	0	114.1
674	S	30.3	Very low	35.1	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	78%	0.775	S	S	*	*			trans	-141.9	104.6	164.4	-165.1	0	0	0	0	114.2
675	R	35.6	Very low	35.9	Very low	234 Å²	234	143.4 Å²	143.4	88%	0.883	76%	0.762	S	S	*	*			trans	29.6	94.3	139.7	-159.6	175.9	-167.6	174.6	3	118.3
676	R	34.2	Very low	35.9	Very low	249 Å²	249	143.7 Å²	143.7	94%	0.94	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-65.1	140.6	163.1	-130.2	179.9	-170.6	-178.7	2.9	110.8
677	Q	35.6	Very low	36.5	Very low	171 Å²	171	147.6 Å²	147.6	80%	0.799	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-89.1	157.7	173.3	-65.4	179.4	-8	0	0	111.4
678	S	40.3	Very low	37.1	Very low	67 Å²	67	144.6 Å²	144.6	47%	0.469	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-84.3	161.9	-178.8	65.5	0	0	0	0	113.2	E680	S678-E680 WeakPolarHBondContact CB-OE2 3.47Å; S678-E680 PolarHBondContact O-N 2.94Å; S678-E680 PolarHBondContact OG-OE2 3.45Å
679	L	43.9	Very low	37.9	Very low	144 Å²	144	147.2 Å²	147.2	75%	0.754	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-15.9	-178.8	-86.9	91.1	0	0	0	114.4	T681 Q682	L679-T681 VanDerWaalsContact C-N 3.26Å; L679-T681 PolarHBondContact O-N 2.85Å; L679-Q682 PolarHBondContact O-N 3.28Å; L679-Q682 VanDerWaalsContact O-N 3.15Å
680	E	41.4	Very low	38.4	Very low	140 Å²	140	146.6 Å²	146.6	65%	0.654	72%	0.722	S	S	*	*	H	α-helix	trans	-61.3	-35.3	-173.1	-66.6	154.5	117.2	0	0	112.4	S678 Q682 Y683	S678-E680 WeakPolarHBondContact CB-OE2 3.47Å; S678-E680 PolarHBondContact O-N 2.94Å; S678-E680 PolarHBondContact OG-OE2 3.45Å; E680-Q682 PolarHBondContact O-N 2.93Å; E680-Y683 PolarHBondContact O-N 2.88Å
681	T	41.4	Very low	38.5	Very low	94 Å²	94	145.8 Å²	145.8	58%	0.577	73%	0.725	S	S	*	*	H	α-helix	trans	-60.6	-29.6	179.4	-40.4	0	0	0	0	112.8	L679 T685	L679-T681 VanDerWaalsContact C-N 3.26Å; L679-T681 PolarHBondContact O-N 2.85Å; T681-T685 PolarHBondContact O-OG1 3.5Å
682	Q	43.8	Very low	38.6	Very low	146 Å²	146	146.7 Å²	146.7	68%	0.682	72%	0.722	S	S	*	*	H	α-helix	trans	-78.6	-19.8	177.1	-68	-176	-27.8	0	0	112.9	L679 E680 T685	L679-Q682 PolarHBondContact O-N 3.28Å; L679-Q682 VanDerWaalsContact O-N 3.15Å; E680-Q682 PolarHBondContact O-N 2.93Å; Q682-T685 PolarHBondContact O-OG1 3.03Å
683	Y	39.5	Very low	39.1	Very low	169 Å²	169	145.5 Å²	145.5	66%	0.663	72%	0.715	S	S	*	*	H	α-helix	trans	-85.1	-21.5	-176.8	-162.3	-100.6	0	0	0	113.4	E680	E680-Y683 PolarHBondContact O-N 2.88Å
684	L	40.1	Very low	38.9	Very low	107 Å²	107	145.2 Å²	145.2	56%	0.56	71%	0.714	S	S	*	*	H	α-helix	trans	-75.5	-44.3	174.4	-95.9	79.4	0	0	0	112.6	H686 R687	L684-H686 PolarHBondContact O-N 3.12Å; L684-R687 WeakPolarHBondContact O-CB 3.17Å; L684-R687 PolarHBondContact O-N 3.43Å
685	T	43.6	Very low	39.1	Very low	93 Å²	93	143.9 Å²	143.9	57%	0.571	71%	0.71	S	S	*	*	H	α-helix	trans	-59.7	-43.3	-177.1	13	0	0	0	0	112.5	T681 Q682 R687 L688	T681-T685 PolarHBondContact O-OG1 3.5Å; Q682-T685 PolarHBondContact O-OG1 3.03Å; T685-R687 PolarHBondContact O-N 3.46Å; T685-L688 PolarHBondContact O-N 2.97Å
686	H	41.5	Very low	38.9	Very low	134 Å²	134	140.7 Å²	140.7	62%	0.62	71%	0.71	S	S	*	*	H	α-helix	trans	-68.5	-19.5	178.5	-168	-89.8	0	0	0	113.4	L684	L684-H686 PolarHBondContact O-N 3.12Å
687	R	37.5	Very low	38.7	Very low	158 Å²	158	134.1 Å²	134.1	60%	0.596	70%	0.702	S	S	*	*	H	α-helix	trans	-77.4	-36.1	179.2	-138.2	-169.4	-53.8	176	6.4	112.4	L684 T685	L684-R687 WeakPolarHBondContact O-CB 3.17Å; L684-R687 PolarHBondContact O-N 3.43Å; T685-R687 PolarHBondContact O-N 3.46Å
688	L	40.1	Very low	39	Very low	140 Å²	140	131.2 Å²	131.2	73%	0.733	70%	0.698	S	S	*	*	H	α-helix	trans	-73.8	-32.6	-176.6	-77.9	163.2	0	0	0	113.5	T685 K690	T685-L688 PolarHBondContact O-N 2.97Å; L688-K690 VanDerWaalsContact C-N 3.31Å; L688-K690 PolarHBondContact O-N 3.49Å
689	Q	42.7	Very low	38.5	Very low	157 Å²	157	132.7 Å²	132.7	73%	0.734	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-70.2	-23.6	-179.7	-75.7	-177	-36.6	0	0	114.1
690	K	40	Very low	37.9	Very low	173 Å²	173	131.3 Å²	131.3	75%	0.752	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-90.6	-4.3	-173.4	-147.2	174.5	-176.4	179.6	0	114.8	L688	L688-K690 VanDerWaalsContact C-N 3.31Å; L688-K690 PolarHBondContact O-N 3.49Å
691	A	36.2	Very low	37.3	Very low	91 Å²	91	130.2 Å²	130.2	75%	0.752	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-82.5	-8.2	-177	0	0	0	0	0	114.7
692	N	34.9	Very low	36.8	Very low	151 Å²	151	132.9 Å²	132.9	81%	0.807	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-110.5	12	-164.5	-133.2	-1.2	0	0	0	114.8
693	I	42.1	Very low	36.2	Very low	142 Å²	142	134.3 Å²	134.3	73%	0.728	74%	0.74	S	S	*	*	S	Bend	trans	-136.6	82.8	-177.2	-50.4	179.1	0	0	0	110.5
694	L	33	Very low	35.8	Very low	174 Å²	174	132.8 Å²	132.8	91%	0.911	74%	0.737	S	S	*	*			trans	161.6	91.5	140.5	-90	164.5	0	0	0	110.8
695	A	33.4	Very low	35.2	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	75%	0.751	S	S	*	*			trans	-134.4	100.9	161.6	0	0	0	0	0	108.4
696	N	31.6	Very low	34.8	Very low	168 Å²	168	138.1 Å²	138.1	90%	0.898	76%	0.763	S	S	*	*			trans	-175.9	112.5	155.6	-94.6	-28.1	0	0	0	112.2
697	S	29.8	Very low	34.5	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	76%	0.764	S	S	*	*			trans	-9.4	167.9	146.9	-76	0	0	0	0	121.6
698	P	41.8	Very low	34.8	Very low	110 Å²	110	136.4 Å²	136.4	71%	0.714	77%	0.77	S	S	*	*			cis	-145.9	172.5	-34	39.9	-23.1	0	0	0	115
699	A	30.4	Very low	35	Very low	99 Å²	99	135 Å²	135	82%	0.818	77%	0.769	S	S	*	*			trans	60	137.3	153.7	0	0	0	0	0	119
700	S	30.3	Very low	36	Very low	115 Å²	115	131.9 Å²	131.9	80%	0.804	75%	0.75	S	S	*	*			cis	-155.2	-179.8	2.6	67	0	0	0	0	108.4
701	C	30.3	Very low	37.5	Very low	117 Å²	117	126.7 Å²	126.7	79%	0.791	74%	0.736	S	S	*	*			cis	-139.8	-128.4	5.8	-163.7	0	0	0	0	110.6
702	Q	31.2	Very low	38.4	Very low	150 Å²	150	128.2 Å²	128.2	70%	0.701	73%	0.731	S	S	*	*			trans	-146.8	145	-174.4	-59.3	178	3.1	0	0	112.8
703	I	29.6	Very low	39.8	Very low	175 Å²	175	127.8 Å²	127.8	90%	0.897	72%	0.724	S	S	*	*			trans	-129.5	141.9	136.9	-68.5	-172.3	0	0	0	107.5
704	F	31	Very low	40.8	Very low	138 Å²	138	125.8 Å²	125.8	61%	0.605	71%	0.711	S	S	*	*			trans	-88.5	131.3	-169.4	-118.9	-96.5	0	0	0	112.8	K706	F704-K706 HydrophobicContact CD1-CG 3.94Å; F704-K706 HydrophobicContact CE1-CD 4.47Å; F704-K706 HydrophobicContact CE1-CG 3.89Å
705	C	29.2	Very low	42.3	Very low	127 Å²	127	122.6 Å²	122.6	86%	0.858	69%	0.692	S	S	*	*			trans	-138.5	119.1	152.2	-100.3	0	0	0	0	108.9	E707	C705-E707 PolarHBondContact O-N 2.97Å
706	K	33.5	Very low	43.9	Very low	185 Å²	185	122.8 Å²	122.8	80%	0.804	68%	0.68	S	S	*	*			trans	-84.7	93.2	178.8	-71.7	179.9	176.9	176.9	0	110.3	F704	F704-K706 HydrophobicContact CD1-CG 3.94Å; F704-K706 HydrophobicContact CE1-CD 4.47Å; F704-K706 HydrophobicContact CE1-CG 3.89Å
707	E	36.5	Very low	45.6	Very low	137 Å²	137	120.8 Å²	120.8	64%	0.64	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-75	138.4	156.9	-77.5	-161.3	-172.8	0	0	110.1	C705 R710	C705-E707 PolarHBondContact O-N 2.97Å; E707-R710 IonicContact OE1-NH2 3.24Å; E707-R710 PolarHBondContact OE1-NH2 3.18Å; E707-R710 IonicContact OE2-CZ 2.73Å; E707-R710 VanDerWaalsContact OE2-CZ 3.25Å; E707-R710 IonicContact OE2-NE 2.73Å; E707-R710 PolarHBondContact OE2-NE 3.42Å; E707-R710 IonicContact OE2-NH2 2.7Å; E707-R710 PolarHBondContact OE2-NH2 2.96Å
708	T	42.8	Very low	47.5	Very low	119 Å²	119	119.1 Å²	119.1	73%	0.73	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-69.9	144.5	168.1	47	0	0	0	0	110.4	R710	T708-R710 PolarHBondContact O-N 3.32Å; T708-R710 VanDerWaalsContact O-N 3.15Å
709	P	45.5	Very low	48.8	Very low	109 Å²	109	119.2 Å²	119.2	71%	0.708	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-58.4	121.6	178.5	24.4	-33.8	0	0	0	110.9	M512	M512-P709 HydrophobicContact CE-CG 4.41Å
710	R	63.4	Low	50.6	Low	92 Å²	92	121.3 Å²	121.3	35%	0.347	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-66.5	144.1	-179.4	-60.5	177	-171.3	-176.6	-1.6	109.9	E707 T708 Q714 Q715 E718	E707-R710 IonicContact OE1-NH2 3.24Å; E707-R710 PolarHBondContact OE1-NH2 3.18Å; E707-R710 IonicContact OE2-CZ 2.73Å; E707-R710 VanDerWaalsContact OE2-CZ 3.25Å; E707-R710 IonicContact OE2-NE 2.73Å; E707-R710 PolarHBondContact OE2-NE 3.42Å; E707-R710 IonicContact OE2-NH2 2.7Å; E707-R710 PolarHBondContact OE2-NH2 2.96Å; T708-R710 PolarHBondContact O-N 3.32Å; T708-R710 VanDerWaalsContact O-N 3.15Å; R710-Q714 HydrophobicContact CB-CB 4.38Å; R710-Q714 HydrophobicContact CB-CG 4.37Å; R710-Q715 HydrophobicContact CB-CG 4.31Å; R710-E718 IonicContact CZ-OE2 2.69Å; R710-E718 IonicContact NH1-OE1 2.65Å; R710-E718 PolarHBondContact NH1-OE1 3.04Å; R710-E718 IonicContact NH1-OE2 3.63Å; R710-E718 PolarHBondContact NH1-OE2 2.94Å
711	S	71.6	Confident	52.3	Low	65 Å²	65	120.3 Å²	120.3	46%	0.455	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-68.1	158.3	-178	75.4	0	0	0	0	112	E713 Q714 Q715	S711-E713 PolarHBondContact O-N 2.58Å; S711-Q714 CarbonylContact O-C 3.53Å; S711-Q714 WeakPolarHBondContact O-CA 3.48Å; S711-Q714 WeakPolarHBondContact O-CB 3.35Å; S711-Q714 PolarHBondContact O-N 3.48Å; S711-Q714 WeakPolarHBondContact OG-CB 3.49Å; S711-Q714 PolarHBondContact OG-N 2.97Å; S711-Q715 PolarHBondContact O-N 2.57Å
712	L	55.4	Low	53.9	Low	123 Å²	123	118.5 Å²	118.5	64%	0.644	59%	0.591	S	S	*	*	H	α-helix	trans	-55.8	-38	177.6	-175.2	67.6	0	0	0	112.2	Q715 L716	L712-Q715 PolarHBondContact O-N 3.49Å; L712-L716 HydrophobicContact CG-CD1 4.38Å; L712-L716 WeakPolarHBondContact O-CB 3.45Å; L712-L716 PolarHBondContact O-N 3.4Å
713	E	62.8	Low	55.7	Low	142 Å²	142	117.2 Å²	117.2	66%	0.664	59%	0.585	S	S	*	*	H	α-helix	trans	-65.7	-41.5	174.9	-177.5	172.3	-158.1	0	0	112	S711 L716 Q717	S711-E713 PolarHBondContact O-N 2.58Å; E713-L716 CarbonylContact O-C 3.47Å; E713-L716 PolarHBondContact O-N 3.46Å; E713-Q717 WeakPolarHBondContact O-CB 3.48Å; E713-Q717 PolarHBondContact O-N 2.8Å
714	Q	64.8	Low	57.1	Low	99 Å²	99	116 Å²	116	46%	0.463	57%	0.573	S	S	.	*	H	α-helix	trans	-66.9	-39.1	177	-163.2	174.4	28.6	0	0	111.2	R710 S711 Q717 E718	R710-Q714 HydrophobicContact CB-CB 4.38Å; R710-Q714 HydrophobicContact CB-CG 4.37Å; S711-Q714 CarbonylContact O-C 3.53Å; S711-Q714 WeakPolarHBondContact O-CA 3.48Å; S711-Q714 WeakPolarHBondContact O-CB 3.35Å; S711-Q714 PolarHBondContact O-N 3.48Å; S711-Q714 WeakPolarHBondContact OG-CB 3.49Å; S711-Q714 PolarHBondContact OG-N 2.97Å; Q714-Q717 PolarHBondContact O-N 3.49Å; Q714-E718 WeakPolarHBondContact O-CB 3.37Å; Q714-E718 PolarHBondContact O-N 3.4Å
715	Q	63.3	Low	58.6	Low	107 Å²	107	116.8 Å²	116.8	50%	0.5	57%	0.572	S	S	.	*	H	α-helix	trans	-65.7	-38.6	170.9	-69.9	-175.5	-47.8	0	0	112.2	R710 S711 L712 Q717 E718 H719	R710-Q715 HydrophobicContact CB-CG 4.31Å; S711-Q715 PolarHBondContact O-N 2.57Å; L712-Q715 PolarHBondContact O-N 3.49Å; Q715-Q717 VanDerWaalsContact C-N 3.32Å; Q715-E718 PolarHBondContact O-N 2.66Å; Q715-H719 VanDerWaalsContact O-CB 3.26Å; Q715-H719 WeakPolarHBondContact O-CB 3.17Å; Q715-H719 PolarHBondContact O-N 3.07Å
716	L	67.8	Low	59.8	Low	91 Å²	91	116.8 Å²	116.8	48%	0.476	56%	0.561	S	S	.	*	H	α-helix	trans	-67.6	-31	172.6	-87.3	163.7	0	0	0	112.6	L712 E713 R720	L712-L716 HydrophobicContact CG-CD1 4.38Å; L712-L716 WeakPolarHBondContact O-CB 3.45Å; L712-L716 PolarHBondContact O-N 3.4Å; E713-L716 CarbonylContact O-C 3.47Å; E713-L716 PolarHBondContact O-N 3.46Å; L716-R720 WeakPolarHBondContact O-CB 3.38Å; L716-R720 VanDerWaalsContact O-CG 3.3Å; L716-R720 WeakPolarHBondContact O-CG 3.24Å; L716-R720 PolarHBondContact O-N 3.09Å; L716-R720 VanDerWaalsContact O-N 3.17Å; L716-R720 PolarHBondContact O-NE 2.69Å
717	Q	67.3	Low	60.8	Low	126 Å²	126	115.9 Å²	115.9	59%	0.589	55%	0.554	S	S	*	*	H	α-helix	trans	-73.6	-42.4	173.7	-168	172.9	9.5	0	0	111.1	E713 Q714 Q715 R720 L721	E713-Q717 WeakPolarHBondContact O-CB 3.48Å; E713-Q717 PolarHBondContact O-N 2.8Å; Q714-Q717 PolarHBondContact O-N 3.49Å; Q715-Q717 VanDerWaalsContact C-N 3.32Å; Q717-R720 PolarHBondContact O-N 3.21Å; Q717-L721 WeakPolarHBondContact O-CB 3.45Å; Q717-L721 PolarHBondContact O-N 3.02Å
718	E	68.3	Low	61.6	Low	76 Å²	76	114.5 Å²	114.5	36%	0.355	55%	0.55	S	S	.	*	H	α-helix	trans	-66.8	-39.9	174.7	-175.7	164.4	-150.1	0	0	112.2	R710 Q714 Q715 R720 L721 N722	R710-E718 IonicContact CZ-OE2 2.69Å; R710-E718 IonicContact NH1-OE1 2.65Å; R710-E718 PolarHBondContact NH1-OE1 3.04Å; R710-E718 IonicContact NH1-OE2 3.63Å; R710-E718 PolarHBondContact NH1-OE2 2.94Å; Q714-E718 WeakPolarHBondContact O-CB 3.37Å; Q714-E718 PolarHBondContact O-N 3.4Å; Q715-E718 PolarHBondContact O-N 2.66Å; E718-R720 PolarHBondContact O-N 3.19Å; E718-L721 CarbonylContact O-C 3.57Å; E718-L721 WeakPolarHBondContact O-CB 3.47Å; E718-L721 PolarHBondContact O-N 2.79Å; E718-L721 VanDerWaalsContact O-N 3.17Å; E718-N722 PolarHBondContact O-N 2.78Å
719	H	69.2	Low	61.8	Low	112 Å²	112	113.8 Å²	113.8	52%	0.519	54%	0.538	S	S	.	.	H	α-helix	trans	-63.5	-40.9	173.3	-172.5	-16.6	0	0	0	111.3	Q715 L721 N722 Q723	Q715-H719 VanDerWaalsContact O-CB 3.26Å; Q715-H719 WeakPolarHBondContact O-CB 3.17Å; Q715-H719 PolarHBondContact O-N 3.07Å; H719-L721 VanDerWaalsContact C-N 3.33Å; H719-N722 PolarHBondContact O-N 3.11Å; H719-Q723 WeakPolarHBondContact O-CB 3.36Å; H719-Q723 PolarHBondContact O-N 3.16Å
720	R	68.6	Low	61.8	Low	142 Å²	142	115.4 Å²	115.4	54%	0.536	54%	0.537	S	S	.	.	H	α-helix	trans	-65.4	-35.1	173	-77.4	176.8	-71.9	178	-0.9	112.1	L716 Q717 E718 K724	L716-R720 WeakPolarHBondContact O-CB 3.38Å; L716-R720 VanDerWaalsContact O-CG 3.3Å; L716-R720 WeakPolarHBondContact O-CG 3.24Å; L716-R720 PolarHBondContact O-N 3.09Å; L716-R720 VanDerWaalsContact O-N 3.17Å; L716-R720 PolarHBondContact O-NE 2.69Å; Q717-R720 PolarHBondContact O-N 3.21Å; E718-R720 PolarHBondContact O-N 3.19Å; R720-K724 PolarHBondContact O-N 3.13Å
721	L	66.2	Low	61	Low	94 Å²	94	117.8 Å²	117.8	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-67.5	-42.4	173.7	-165.6	74.3	0	0	0	111.7	Q717 E718 H719 K724 R725	Q717-L721 WeakPolarHBondContact O-CB 3.45Å; Q717-L721 PolarHBondContact O-N 3.02Å; E718-L721 CarbonylContact O-C 3.57Å; E718-L721 WeakPolarHBondContact O-CB 3.47Å; E718-L721 PolarHBondContact O-N 2.79Å; E718-L721 VanDerWaalsContact O-N 3.17Å; H719-L721 VanDerWaalsContact C-N 3.33Å; L721-K724 WeakPolarHBondContact O-CB 3.46Å; L721-K724 PolarHBondContact O-N 2.89Å; L721-R725 PolarHBondContact O-N 2.8Å
722	N	64.4	Low	59.5	Low	79 Å²	79	119 Å²	119	42%	0.422	56%	0.56	S	S	.	*	H	α-helix	trans	-71.1	-32.8	175.8	-99.1	11.2	0	0	0	112.6	E718 H719 K724 R725 M726	E718-N722 PolarHBondContact O-N 2.78Å; H719-N722 PolarHBondContact O-N 3.11Å; N722-K724 VanDerWaalsContact C-N 3.34Å; N722-R725 PolarHBondContact O-N 2.75Å; N722-M726 WeakPolarHBondContact O-CB 3.38Å; N722-M726 VanDerWaalsContact O-CG 3.27Å; N722-M726 WeakPolarHBondContact O-CG 3.25Å; N722-M726 PolarHBondContact O-N 3.32Å
723	Q	68	Low	58.9	Low	123 Å²	123	120 Å²	120	58%	0.575	56%	0.562	S	S	*	*	H	α-helix	trans	-61.5	-42.8	167.7	-97.4	-178.4	-18.4	0	0	111.2	H719 M726 Y727	H719-Q723 WeakPolarHBondContact O-CB 3.36Å; H719-Q723 PolarHBondContact O-N 3.16Å; Q723-M726 PolarHBondContact O-N 2.76Å; Q723-Y727 VanDerWaalsContact O-CB 3.3Å; Q723-Y727 WeakPolarHBondContact O-CB 3.38Å; Q723-Y727 PolarHBondContact O-N 2.82Å
724	K	59.5	Low	57.7	Low	151 Å²	151	115.9 Å²	115.9	66%	0.657	56%	0.557	S	S	*	*	H	α-helix	trans	-62.7	-42.3	172.8	-83.3	-166.9	169.4	-167.9	0	112.8	R720 L721 N722 Y727 L728	R720-K724 PolarHBondContact O-N 3.13Å; L721-K724 WeakPolarHBondContact O-CB 3.46Å; L721-K724 PolarHBondContact O-N 2.89Å; N722-K724 VanDerWaalsContact C-N 3.34Å; K724-Y727 PolarHBondContact O-N 3.11Å; K724-L728 WeakPolarHBondContact O-CB 2.95Å; K724-L728 WeakPolarHBondContact O-CD1 3.25Å; K724-L728 VanDerWaalsContact O-CG 3.28Å; K724-L728 WeakPolarHBondContact O-CG 3.43Å; K724-L728 PolarHBondContact O-N 3.27Å
725	R	63	Low	56.6	Low	154 Å²	154	119.8 Å²	119.8	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-62.3	-48	174.5	-77	-179.1	172.1	160.8	-4.7	111.9	L721 N722 Y727 L728 Q729	L721-R725 PolarHBondContact O-N 2.8Å; N722-R725 PolarHBondContact O-N 2.75Å; R725-Y727 VanDerWaalsContact C-N 3.32Å; R725-Y727 PolarHBondContact O-N 3.26Å; R725-L728 PolarHBondContact O-N 3.22Å; R725-Q729 WeakPolarHBondContact O-CB 3.1Å; R725-Q729 PolarHBondContact O-N 3Å
726	M	54.8	Low	55.5	Low	126 Å²	126	116.8 Å²	116.8	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-59.5	-41.4	176.5	-74.7	-66.2	-64.5	0	0	111.8	N722 Q723 Q729 Q730	N722-M726 WeakPolarHBondContact O-CB 3.38Å; N722-M726 VanDerWaalsContact O-CG 3.27Å; N722-M726 WeakPolarHBondContact O-CG 3.25Å; N722-M726 PolarHBondContact O-N 3.32Å; Q723-M726 PolarHBondContact O-N 2.76Å; M726-Q729 PolarHBondContact O-N 3.45Å; M726-Q730 WeakPolarHBondContact O-CB 3.34Å; M726-Q730 PolarHBondContact O-N 3.08Å
727	Y	54.7	Low	54.1	Low	167 Å²	167	119.7 Å²	119.7	66%	0.655	59%	0.591	S	S	*	*	H	α-helix	trans	-65.1	-46.3	177.3	-171.1	-98.7	0	0	0	112.1	Q723 K724 R725 Q729 Q730 Q731	Q723-Y727 VanDerWaalsContact O-CB 3.3Å; Q723-Y727 WeakPolarHBondContact O-CB 3.38Å; Q723-Y727 PolarHBondContact O-N 2.82Å; K724-Y727 PolarHBondContact O-N 3.11Å; R725-Y727 VanDerWaalsContact C-N 3.32Å; R725-Y727 PolarHBondContact O-N 3.26Å; Y727-Q729 VanDerWaalsContact C-N 3.34Å; Y727-Q729 PolarHBondContact O-N 3.5Å; Y727-Q730 PolarHBondContact O-N 3.21Å; Y727-Q731 WeakPolarHBondContact O-CB 3.31Å; Y727-Q731 PolarHBondContact O-N 3.46Å
728	L	51.7	Low	52.5	Low	108 Å²	108	121.2 Å²	121.2	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-64.5	-37.3	174.7	-70.6	165.4	0	0	0	112.2	K724 R725 Q731 S732	K724-L728 WeakPolarHBondContact O-CB 2.95Å; K724-L728 WeakPolarHBondContact O-CD1 3.25Å; K724-L728 VanDerWaalsContact O-CG 3.28Å; K724-L728 WeakPolarHBondContact O-CG 3.43Å; K724-L728 PolarHBondContact O-N 3.27Å; R725-L728 PolarHBondContact O-N 3.22Å; L728-Q731 WeakPolarHBondContact O-CB 3.42Å; L728-Q731 PolarHBondContact O-N 3.39Å; L728-S732 PolarHBondContact O-N 2.93Å
729	Q	46.8	Very low	51	Low	103 Å²	103	121.3 Å²	121.3	48%	0.481	61%	0.611	S	S	.	*	H	α-helix	trans	-73.7	-37.4	179.2	-169.5	167	19.9	0	0	111.7	R725 M726 Y727 Q731 S732 Q733	R725-Q729 WeakPolarHBondContact O-CB 3.1Å; R725-Q729 PolarHBondContact O-N 3Å; M726-Q729 PolarHBondContact O-N 3.45Å; Y727-Q729 VanDerWaalsContact C-N 3.34Å; Y727-Q729 PolarHBondContact O-N 3.5Å; Q729-Q731 VanDerWaalsContact C-N 3.3Å; Q729-Q731 PolarHBondContact O-N 3.39Å; Q729-S732 WeakPolarHBondContact CA-OG 3.49Å; Q729-S732 CarbonylContact O-C 3.57Å; Q729-S732 PolarHBondContact O-N 2.8Å; Q729-S732 VanDerWaalsContact O-N 3.09Å; Q729-S732 PolarHBondContact O-OG 3.07Å; Q729-Q733 PolarHBondContact O-N 3.12Å
730	Q	46.7	Very low	49.4	Very low	144 Å²	144	125 Å²	125	67%	0.673	62%	0.622	S	S	*	*	H	α-helix	trans	-65	-36.1	171.6	-171.3	167.8	47.5	0	0	111.2	M726 Y727 S732 Q733 G734	M726-Q730 WeakPolarHBondContact O-CB 3.34Å; M726-Q730 PolarHBondContact O-N 3.08Å; Y727-Q730 PolarHBondContact O-N 3.21Å; Q730-S732 VanDerWaalsContact C-N 3.32Å; Q730-S732 PolarHBondContact O-N 3.39Å; Q730-Q733 PolarHBondContact O-N 3.44Å; Q730-G734 PolarHBondContact O-N 3.46Å
731	Q	45.3	Very low	47.7	Very low	141 Å²	141	126.4 Å²	126.4	66%	0.659	63%	0.633	S	S	*	*	H	α-helix	trans	-64.2	-34.9	170	-164	172	27.8	0	0	112.3	Y727 L728 Q729 Q733	Y727-Q731 WeakPolarHBondContact O-CB 3.31Å; Y727-Q731 PolarHBondContact O-N 3.46Å; L728-Q731 WeakPolarHBondContact O-CB 3.42Å; L728-Q731 PolarHBondContact O-N 3.39Å; Q729-Q731 VanDerWaalsContact C-N 3.3Å; Q729-Q731 PolarHBondContact O-N 3.39Å; Q731-Q733 VanDerWaalsContact C-N 3.35Å
732	S	42	Very low	46.2	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	65%	0.649	S	S	*	*	H	α-helix	trans	-77	-12	174.3	71.7	0	0	0	0	115.5	L728 Q729 Q730	L728-S732 PolarHBondContact O-N 2.93Å; Q729-S732 WeakPolarHBondContact CA-OG 3.49Å; Q729-S732 CarbonylContact O-C 3.57Å; Q729-S732 PolarHBondContact O-N 2.8Å; Q729-S732 VanDerWaalsContact O-N 3.09Å; Q729-S732 PolarHBondContact O-OG 3.07Å; Q730-S732 VanDerWaalsContact C-N 3.32Å; Q730-S732 PolarHBondContact O-N 3.39Å
733	Q	41	Very low	44.8	Very low	143 Å²	143	133.8 Å²	133.8	67%	0.668	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	11	179.1	-70.6	-173.8	-14.4	0	0	113.2	Q729 Q730 Q731 M735	Q729-Q733 PolarHBondContact O-N 3.12Å; Q730-Q733 PolarHBondContact O-N 3.44Å; Q731-Q733 VanDerWaalsContact C-N 3.35Å; Q733-M735 VanDerWaalsContact C-N 3.3Å; Q733-M735 PolarHBondContact O-N 3.44Å
734	G	38.3	Very low	42.9	Very low	56 Å²	56	135.8 Å²	135.8	58%	0.577	68%	0.678	S	S	*	*			trans	-70.7	79.8	166.8	0	0	0	0	0	112	Q730 G736	Q730-G734 PolarHBondContact O-N 3.46Å; G734-G736 VanDerWaalsContact C-N 3.26Å; G734-G736 PolarHBondContact O-N 3.29Å
735	M	42.2	Very low	41.7	Very low	181 Å²	181	137.9 Å²	137.9	89%	0.892	69%	0.69	S	S	*	*			trans	-64.6	79.3	174.1	-86.1	-76.2	-74.5	0	0	111.8	Q733	Q733-M735 VanDerWaalsContact C-N 3.3Å; Q733-M735 PolarHBondContact O-N 3.44Å
736	G	40.1	Very low	40.1	Very low	44 Å²	44	138.7 Å²	138.7	45%	0.454	71%	0.705	S	S	.	*			trans	-139.6	-9.4	179.7	0	0	0	0	0	115.8	G734	G734-G736 VanDerWaalsContact C-N 3.26Å; G734-G736 PolarHBondContact O-N 3.29Å
737	L	37.7	Very low	38.8	Very low	151 Å²	151	139.2 Å²	139.2	79%	0.791	72%	0.715	S	S	*	*	S	Bend	trans	-102.8	-20.2	-174.3	-77.3	163.3	0	0	0	114.9
738	Q	34.1	Very low	37.6	Very low	159 Å²	159	139.7 Å²	139.7	74%	0.743	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-27.8	179	-151.7	74.8	32.8	0	0	113
739	A	37.3	Very low	36.4	Very low	77 Å²	77	138 Å²	138	64%	0.636	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-36.5	-178.5	0	0	0	0	0	112.7	F741 N742	A739-F741 PolarHBondContact O-N 3.45Å; A739-N742 PolarHBondContact O-N 3.15Å
740	Y	34.3	Very low	35.5	Very low	189 Å²	189	137.9 Å²	137.9	74%	0.741	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-66.7	-22	-179.4	-112.2	-88.8	0	0	0	113.5	N742 Q743	Y740-N742 VanDerWaalsContact C-N 3.29Å; Y740-N742 PolarHBondContact O-N 3.27Å; Y740-Q743 PolarHBondContact O-N 3.4Å
741	F	33.3	Very low	34.8	Very low	173 Å²	173	141.8 Å²	141.8	76%	0.759	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-75.3	-14.4	-179.6	-141.5	-90.2	0	0	0	114	A739	A739-F741 PolarHBondContact O-N 3.45Å
742	N	34.4	Very low	34.3	Very low	157 Å²	157	140.3 Å²	140.3	84%	0.84	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-95.7	6.6	174.2	-88.8	-30.5	0	0	0	113.6	A739 Y740	A739-N742 PolarHBondContact O-N 3.15Å; Y740-N742 VanDerWaalsContact C-N 3.29Å; Y740-N742 PolarHBondContact O-N 3.27Å
743	Q	34.8	Very low	34	Very low	170 Å²	170	142 Å²	142	79%	0.794	76%	0.764	S	S	*	*			trans	-118.3	25.4	176.4	-157.6	147.2	37.4	0	0	113.4	Y740	Y740-Q743 PolarHBondContact O-N 3.4Å
744	M	29	Very low	33.7	Very low	165 Å²	165	142.5 Å²	142.5	81%	0.813	78%	0.776	S	S	*	*			trans	-95	93.8	156.3	-77.3	-166.9	171.5	0	0	110.3
745	Q	34	Very low	33.3	Very low	195 Å²	195	142.8 Å²	142.8	91%	0.911	78%	0.779	S	S	*	*			trans	-126.6	92.8	152.2	-83.9	-164.8	-23.2	0	0	108.7
746	I	30.2	Very low	33.2	Very low	172 Å²	172	139.9 Å²	139.9	88%	0.882	77%	0.774	S	S	*	*			trans	-124.4	140.2	161.3	-64	-178.2	0	0	0	106.4
747	V	26.6	Very low	32.7	Very low	137 Å²	137	142.5 Å²	142.5	83%	0.83	79%	0.785	S	S	*	*			trans	-66.4	144.9	-164.1	177.1	0	0	0	0	113.1	G749	V747-G749 PolarHBondContact O-N 3.33Å
748	E	29.5	Very low	32.3	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	79%	0.789	S	S	*	*			trans	-64.3	120.4	172.6	-65.2	176.8	116	0	0	111.8	S750	E748-S750 PolarHBondContact O-N 2.85Å
749	G	26.7	Very low	32.1	Very low	73 Å²	73	143.2 Å²	143.2	75%	0.753	79%	0.791	S	S	*	*			trans	-95.5	69.8	175.9	0	0	0	0	0	112.8	V747 Y751	V747-G749 PolarHBondContact O-N 3.33Å; G749-Y751 PolarHBondContact O-N 3.41Å
750	S	27.3	Very low	32.1	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.5	121	-177	-59.5	0	0	0	0	113.1	E748	E748-S750 PolarHBondContact O-N 2.85Å
751	Y	33.2	Very low	31.8	Very low	226 Å²	226	141.6 Å²	141.6	89%	0.886	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-82.6	124.2	168.8	-90.8	-89.6	0	0	0	111.4	G749	G749-Y751 PolarHBondContact O-N 3.41Å
752	P	34.3	Very low	31.4	Very low	110 Å²	110	137.9 Å²	137.9	71%	0.714	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.7	161.2	167.6	33.4	-33.5	0	0	0	112
753	P	35.9	Very low	31.9	Very low	127 Å²	127	136.3 Å²	136.3	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-86.5	170.9	-168.2	35.2	-37.8	0	0	0	115.1
754	V	34.2	Very low	32.3	Very low	154 Å²	154	134.8 Å²	134.8	93%	0.933	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-67.5	137.7	175.6	179.3	0	0	0	0	111.9
755	G	30.3	Very low	32.3	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	81%	0.807	S	S	*	*			trans	-147.3	151.5	168.8	0	0	0	0	0	111.3
756	P	39.5	Very low	33	Very low	121 Å²	121	127 Å²	127	79%	0.786	80%	0.803	S	S	*	*			trans	-93.5	148.4	-166.8	35.8	-36.1	0	0	0	115.5
757	S	30.7	Very low	34.1	Very low	98 Å²	98	124 Å²	124	69%	0.685	79%	0.794	S	S	*	*			trans	37.3	127.6	148.5	63.4	0	0	0	0	121.5
758	M	29.1	Very low	34.4	Very low	179 Å²	179	126.7 Å²	126.7	88%	0.882	80%	0.798	S	S	*	*				-178	152.4	113.6	-96.6	-62.3	164.2	0	0	112.2
759	D	30.4	Very low	34.6	Very low	147 Å²	147	122 Å²	122	79%	0.786	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82	157.2	174.7	-74.8	-62.4	0	0	0	113.3
760	P	35.8	Very low	35.5	Very low	126 Å²	126	124.8 Å²	124.8	82%	0.818	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.7	141.6	168	32.6	-33.9	0	0	0	112.1
761	A	27.9	Very low	35.6	Very low	106 Å²	106	124.9 Å²	124.9	88%	0.876	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-89.5	160.2	-167.5	0	0	0	0	0	115.9
762	A	26	Very low	35.3	Very low	95 Å²	95	122.4 Å²	122.4	79%	0.785	81%	0.807	S	S	*	*			trans	-129.5	134	159.1	0	0	0	0	0	110
763	P	45.3	Very low	35.9	Very low	123 Å²	123	122.5 Å²	122.5	80%	0.799	81%	0.808	S	S	*	*			trans	-94.9	165.7	-173.1	39.1	-37.6	0	0	0	113.1
764	P	43	Very low	35.6	Very low	138 Å²	138	120.9 Å²	120.9	90%	0.896	81%	0.805	S	S	*	*				-149.2	160.2	98.4	38.6	-22.7	0	0	0	116.2
765	G	28.3	Very low	35.3	Very low	72 Å²	72	117.4 Å²	117.4	74%	0.742	80%	0.8	S	S	*	*			trans	168.5	104.6	170.1	0	0	0	0	0	114.4
766	P	49.1	Very low	35.2	Very low	126 Å²	126	117.9 Å²	117.9	82%	0.818	81%	0.805	S	S	*	*			trans	-100.5	-171.4	-179.3	43.1	-37.9	0	0	0	111.5
767	P	53.2	Low	34.8	Very low	108 Å²	108	121.2 Å²	121.2	70%	0.701	81%	0.81	S	S	*	*			cis	-131.6	174.7	-4.5	37.7	-20.3	0	0	0	115.2
768	Q	33.8	Very low	34.7	Very low	194 Å²	194	124.2 Å²	124.2	91%	0.907	81%	0.813	S	S	*	*				170	151.9	120.1	-92.5	178.5	42.1	0	0	113.3
769	G	33.3	Very low	34.7	Very low	77 Å²	77	122.4 Å²	122.4	79%	0.794	81%	0.807	S	S	*	*			trans	90	103.6	157.7	0	0	0	0	0	118.3
770	P	44.3	Very low	34.6	Very low	131 Å²	131	123.8 Å²	123.8	85%	0.851	81%	0.808	S	S	*	*			trans	-106.4	137.8	174.4	36.3	-29	0	0	0	114.3
771	A	29.2	Very low	34.3	Very low	104 Å²	104	126.2 Å²	126.2	86%	0.86	81%	0.809	S	S	*	*			trans	-162.1	131.8	152.3	0	0	0	0	0	112.9
772	M	27.9	Very low	35.2	Very low	173 Å²	173	126.9 Å²	126.9	85%	0.852	80%	0.804	S	S	*	*			trans	-93.4	177.3	162.8	-80.9	-74.7	-76.9	0	0	108.6
773	P	47.5	Very low	35.3	Very low	113 Å²	113	126.1 Å²	126.1	73%	0.734	81%	0.805	S	S	*	*			cis	-149	-171.9	23.3	45	-24.2	0	0	0	118.6
774	A	29.6	Very low	34.4	Very low	93 Å²	93	124 Å²	124	77%	0.769	81%	0.806	S	S	*	*			trans	68.6	150.7	162.8	0	0	0	0	0	117.8
775	G	28.3	Very low	33.6	Very low	81 Å²	81	123 Å²	123	84%	0.835	80%	0.803	S	S	*	*			cis	114.8	125.3	1.1	0	0	0	0	0	112.3
776	G	28	Very low	33.7	Very low	71 Å²	71	128.8 Å²	128.8	73%	0.732	81%	0.81	S	S	*	*			cis	-176.6	-138.4	3.1	0	0	0	0	0	111.3
777	Q	29.2	Very low	32.9	Very low	190 Å²	190	126.9 Å²	126.9	89%	0.888	81%	0.805	S	S	*	*			trans	82.5	150	-179	-57.6	-177.5	17.3	0	0	116.8
778	Q	29.9	Very low	31.7	Very low	161 Å²	161	126.3 Å²	126.3	75%	0.752	81%	0.809	S	S	*	*			cis	-167.7	175.8	-35.1	-151.4	165.3	-1.6	0	0	109.6
779	L	28.3	Very low	31.7	Very low	142 Å²	142	121.4 Å²	121.4	74%	0.743	80%	0.802	S	S	*	*			trans	75.7	141	168	-56.3	129.9	0	0	0	116.1
780	Q	28.2	Very low	32.8	Very low	175 Å²	175	122.6 Å²	122.6	82%	0.818	80%	0.796	S	S	*	*			cis	-157	163.8	-17.4	-140.9	165.8	10.5	0	0	111.5
781	Q	31.2	Very low	32.4	Very low	178 Å²	178	125 Å²	125	83%	0.832	79%	0.793	S	S	*	*			trans	-101	179.1	170	-106.1	-169.2	38.1	0	0	110.7
782	P	45.7	Very low	32.5	Very low	119 Å²	119	123.3 Å²	123.3	77%	0.773	79%	0.786	S	S	*	*			cis	-123.6	-172.4	16.3	43.4	-26.1	0	0	0	112.9
783	G	28.3	Very low	32.8	Very low	79 Å²	79	122.8 Å²	122.8	81%	0.814	78%	0.781	S	S	*	*			cis	112.7	146.1	39.6	0	0	0	0	0	109.3
784	G	26.3	Very low	32.3	Very low	80 Å²	80	122 Å²	122	83%	0.825	79%	0.785	S	S	*	*			cis	-160.8	-151.6	5.8	0	0	0	0	0	112.5
785	S	26.7	Very low	32.5	Very low	117 Å²	117	125.2 Å²	125.2	82%	0.818	79%	0.788	S	S	*	*			trans	-113.7	179.1	-157.9	-41.3	0	0	0	0	117
786	Q	30.2	Very low	32.8	Very low	192 Å²	192	126 Å²	126	90%	0.897	78%	0.78	S	S	*	*			trans	88.5	158.6	164.9	-57.2	-175.6	43	0	0	118.1
787	A	31.9	Very low	33	Very low	87 Å²	87	130 Å²	130	72%	0.719	79%	0.785	S	S	*	*			cis	-175.3	179	-29.2	0	0	0	0	0	111.6
788	A	28.6	Very low	33.3	Very low	95 Å²	95	125.9 Å²	125.9	79%	0.785	78%	0.777	S	S	*	*			trans	75.2	140.7	171.2	0	0	0	0	0	117.8
789	A	33.5	Very low	34.5	Very low	92 Å²	92	123.7 Å²	123.7	76%	0.76	78%	0.776	S	S	*	*			cis	86.3	160.5	25.5	0	0	0	0	0	114.5
790	P	55.9	Low	34.5	Very low	102 Å²	102	124 Å²	124	66%	0.662	78%	0.778	S	S	*	*			cis	-143.9	-162.9	13.7	33.4	-6.7	0	0	0	117.6
791	F	36.7	Very low	34.5	Very low	180 Å²	180	123.4 Å²	123.4	79%	0.789	78%	0.78	S	S	*	*			trans	75.5	140	173.4	-54.9	-73.3	0	0	0	117.6	H793	F791-H793 AromaticContact CD1-NE2 3.53Å
792	G	31.3	Very low	34.6	Very low	69 Å²	69	123.1 Å²	123.1	71%	0.711	78%	0.778	S	S	*	*			cis	171.7	178.3	-0.8	0	0	0	0	0	109.8
793	H	34	Very low	35	Very low	162 Å²	162	122.9 Å²	122.9	75%	0.75	78%	0.777	S	S	*	*			cis	-169.2	136.3	-11.2	-99.5	-65.8	0	0	0	111.6	F791	F791-H793 AromaticContact CD1-NE2 3.53Å
794	A	37.3	Very low	35	Very low	97 Å²	97	122.8 Å²	122.8	80%	0.802	78%	0.776	S	S	*	*			trans	65.9	152.4	160.2	0	0	0	0	0	119.3
795	L	32.8	Very low	35.1	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	78%	0.781	S	S	*	*			cis	-134.6	136.8	8.4	-77.4	169.1	0	0	0	110
796	S	34.4	Very low	35.1	Very low	97 Å²	97	126.3 Å²	126.3	68%	0.678	78%	0.776	S	S	*	*				73.2	132.7	88	-143.6	0	0	0	0	114.9
797	L	32.8	Very low	35.1	Very low	157 Å²	157	123.7 Å²	123.7	82%	0.822	77%	0.773	S	S	*	*			cis	-167.4	176.5	1.1	-128.1	179.3	0	0	0	112.4
798	S	35.1	Very low	34.8	Very low	103 Å²	103	125 Å²	125	72%	0.72	77%	0.772	S	S	*	*			trans	87.2	150.9	155.3	-65.3	0	0	0	0	122
799	P	54.8	Low	34.8	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	77%	0.767	S	S	*	*			trans	-136.7	177	-146	44.4	-27.2	0	0	0	117.8
800	L	28	Very low	34.6	Very low	150 Å²	150	129.7 Å²	129.7	79%	0.785	76%	0.759	S	S	*	*				168.2	132	102.8	-160.5	73.2	0	0	0	116
801	L	28.8	Very low	33.3	Very low	162 Å²	162	130.2 Å²	130.2	85%	0.848	76%	0.762	S	S	*	*			trans	71.8	160.3	157.9	-109.3	73.4	0	0	0	123.5
802	E	33.3	Very low	32.9	Very low	172 Å²	172	127.4 Å²	127.4	80%	0.804	75%	0.747	S	S	*	*			trans	-140.7	-172.1	-167.8	-129.6	-163.7	165.9	0	0	107.7
803	P	54.2	Low	32.7	Very low	114 Å²	114	129.3 Å²	129.3	74%	0.74	74%	0.739	S	S	*	*			cis	-130.6	-169.3	-26	38.8	-21.7	0	0	0	112.4
804	G	27.7	Very low	32.3	Very low	77 Å²	77	127.2 Å²	127.2	79%	0.794	74%	0.743	S	S	*	*			trans	167.7	144.2	162.6	0	0	0	0	0	116.4
805	E	29.8	Very low	31.9	Very low	202 Å²	202	129.3 Å²	129.3	94%	0.944	74%	0.736	S	S	*	*			trans	-104.5	151.5	-178.5	-64.4	-179	109.8	0	0	114.4
806	G	26.6	Very low	31.6	Very low	69 Å²	69	129.3 Å²	129.3	71%	0.711	73%	0.731	S	S	*	*			trans	89.5	179.4	149	0	0	0	0	0	118.5
807	V	30.3	Very low	31.1	Very low	136 Å²	136	132 Å²	132	82%	0.824	73%	0.732	S	S	*	*			trans	69.3	114.5	174.1	-170.3	0	0	0	0	113.4
808	V	25.4	Very low	30.6	Very low	115 Å²	115	133.9 Å²	133.9	70%	0.697	73%	0.73	S	S	*	*				85.3	123.3	50.5	174.2	0	0	0	0	113.8
809	Y	28.1	Very low	30.1	Very low	173 Å²	173	133.7 Å²	133.7	68%	0.678	73%	0.725	S	S	*	*			trans	68	137.2	175.9	-70.6	-162	0	0	0	116.2	Y812	Y809-Y812 HydrophobicContact CD1-CD2 4.04Å; Y809-Y812 AromaticContact CD1-CE2 3.76Å; Y809-Y812 HydrophobicContact CD1-CE2 3.76Å; Y809-Y812 HydrophobicContact CD2-CE2 4.15Å; Y809-Y812 AromaticContact CE1-CD2 3.96Å; Y809-Y812 HydrophobicContact CE1-CD2 3.96Å; Y809-Y812 AromaticContact CE1-CE2 3.37Å; Y809-Y812 HydrophobicContact CE1-CE2 3.37Å; Y809-Y812 AromaticContact CE1-CZ 3.94Å; Y809-Y812 AromaticContact CE2-CE2 3.82Å; Y809-Y812 HydrophobicContact CE2-CE2 3.82Å; Y809-Y812 HydrophobicContact CG-CE2 4.16Å; Y809-Y812 AromaticContact CZ-CE2 3.43Å; Y809-Y812 VanDerWaalsContact CZ-CE2 3.43Å; Y809-Y812 AromaticContact CZ-CZ 3.72Å; Y809-Y812 PolarHBondContact OH-OH 3.38Å; Y809-Y812 VanDerWaalsContact OH-OH 3.11Å
810	D	28.5	Very low	28.7	Very low	112 Å²	112	135.8 Å²	135.8	60%	0.599	73%	0.725	S	S	*	*			cis	85.4	146.7	25.7	-162.7	41.8	0	0	0	115.2	Y812	D810-Y812 HydrophobicContact CB-CD2 4.39Å; D810-Y812 VanDerWaalsContact CG-N 3.33Å; D810-Y812 PolarHBondContact OD1-N 3.36Å; D810-Y812 WeakPolarHBondContact OD2-CD2 3.31Å; D810-Y812 VanDerWaalsContact OD2-CE2 3.31Å; D810-Y812 WeakPolarHBondContact OD2-CE2 3.45Å; D810-Y812 PolarHBondContact OD2-N 3.39Å
811	P	29.5	Very low	28.7	Very low	113 Å²	113	136.3 Å²	136.3	73%	0.734	72%	0.723	S	S	*	*				-135.6	114.2	124.2	35.8	-23.8	0	0	0	114.9
812	Y	27.3	Very low	28.9	Very low	121 Å²	121	135.1 Å²	135.1	48%	0.475	72%	0.717	S	S	.	*				32.1	115.5	103.7	-77.7	-97.2	0	0	0	114.8	Y809 D810	Y809-Y812 HydrophobicContact CD1-CD2 4.04Å; Y809-Y812 AromaticContact CD1-CE2 3.76Å; Y809-Y812 HydrophobicContact CD1-CE2 3.76Å; Y809-Y812 HydrophobicContact CD2-CE2 4.15Å; Y809-Y812 AromaticContact CE1-CD2 3.96Å; Y809-Y812 HydrophobicContact CE1-CD2 3.96Å; Y809-Y812 AromaticContact CE1-CE2 3.37Å; Y809-Y812 HydrophobicContact CE1-CE2 3.37Å; Y809-Y812 AromaticContact CE1-CZ 3.94Å; Y809-Y812 AromaticContact CE2-CE2 3.82Å; Y809-Y812 HydrophobicContact CE2-CE2 3.82Å; Y809-Y812 HydrophobicContact CG-CE2 4.16Å; Y809-Y812 AromaticContact CZ-CE2 3.43Å; Y809-Y812 VanDerWaalsContact CZ-CE2 3.43Å; Y809-Y812 AromaticContact CZ-CZ 3.72Å; Y809-Y812 PolarHBondContact OH-OH 3.38Å; Y809-Y812 VanDerWaalsContact OH-OH 3.11Å; D810-Y812 HydrophobicContact CB-CD2 4.39Å; D810-Y812 VanDerWaalsContact CG-N 3.33Å; D810-Y812 PolarHBondContact OD1-N 3.36Å; D810-Y812 WeakPolarHBondContact OD2-CD2 3.31Å; D810-Y812 VanDerWaalsContact OD2-CE2 3.31Å; D810-Y812 WeakPolarHBondContact OD2-CE2 3.45Å; D810-Y812 PolarHBondContact OD2-N 3.39Å
813	M	27.2	Very low	29	Very low	109 Å²	109	132.4 Å²	132.4	54%	0.537	71%	0.714	S	S	.	*			cis	-148.8	157.2	12.1	-79.5	-102.8	71.2	0	0	112.2	H815	M813-H815 HydrophobicContact SD-CB 4.26Å
814	S	26	Very low	27.6	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	72%	0.717	S	S	*	*			trans	-134.1	94.8	151.3	-76.9	0	0	0	0	108.7
815	H	28.8	Very low	27.6	Very low	141 Å²	141	135.1 Å²	135.1	65%	0.653	72%	0.716	S	S	*	*			trans	-131.6	110	-179.6	-90.2	4.8	0	0	0	111.5	M813	M813-H815 HydrophobicContact SD-CB 4.26Å
816	H	26.9	Very low	27.4	Very low	159 Å²	159	129.8 Å²	129.8	74%	0.736	71%	0.706	S	S	*	*			trans	45.1	129.8	139	-71.9	-83.4	0	0	0	122.2
817	H	23.7	Very low	27.4	Very low	153 Å²	153	134.7 Å²	134.7	71%	0.708	71%	0.71	S	S	*	*			trans	88.1	120.9	139.5	-80.2	-55.1	0	0	0	121.8
818	Y	23.3	Very low	27.2	Very low	197 Å²	197	135.2 Å²	135.2	77%	0.773	71%	0.708	S	S	*	*			trans	89.3	139.7	132.9	-100.2	-71.8	0	0	0	122
819	T	23.7	Very low	27.4	Very low	100 Å²	100	137.5 Å²	137.5	61%	0.613	71%	0.711	S	S	*	*			trans	75.8	109.4	152.8	19.8	0	0	0	0	121.3
820	Q	25.6	Very low	27.8	Very low	158 Å²	158	134.1 Å²	134.1	74%	0.738	71%	0.71	S	S	*	*				76.5	149.8	117.9	-93.8	175.1	-2.7	0	0	123.8
821	H	26.9	Very low	27.6	Very low	161 Å²	161	136.2 Å²	136.2	75%	0.745	72%	0.716	S	S	*	*			trans	79	127.3	152.2	-74	-60.2	0	0	0	122.5
822	L	33	Very low	27.4	Very low	136 Å²	136	136.7 Å²	136.7	71%	0.712	71%	0.712	S	S	*	*			trans	-57.2	149.7	155.1	-105.9	69	0	0	0	110.9
823	P	36.1	Very low	27.3	Very low	116 Å²	116	138 Å²	138	75%	0.753	72%	0.722	S	S	*	*				-138.3	159.7	82.2	43.5	-30.5	0	0	0	112.6
824	H	26	Very low	27.3	Very low	172 Å²	172	139 Å²	139	80%	0.796	73%	0.725	S	S	*	*				56.7	107.4	57.5	-87	64	0	0	0	114.8
825	G	26.4	Very low	27.3	Very low	76 Å²	76	141.3 Å²	141.3	78%	0.784	72%	0.723	S	S	*	*			trans	146.6	94.2	160.2	0	0	0	0	0	118.7
826	A	26.6	Very low	27.2	Very low	89 Å²	89	142 Å²	142	74%	0.736	73%	0.731	S	S	*	*				48.3	111.4	128.1	0	0	0	0	0	122.7
827	H	26.8	Very low	28	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.796	73%	0.73	S	S	*	*				84.8	134.2	119.8	-83.6	-78.7	0	0	0	124.3
828	L	24.9	Very low	28.3	Very low	148 Å²	148	140.2 Å²	140.2	78%	0.775	73%	0.732	S	S	*	*			trans	82.5	104.8	146.1	-66.8	162.6	0	0	0	121.1
829	H	29.2	Very low	28.5	Very low	162 Å²	162	137 Å²	137	75%	0.75	73%	0.729	S	S	*	*				19	147.5	108.7	-103.5	-122.2	0	0	0	118.7
830	P	37.5	Very low	28.9	Very low	103 Å²	103	136.2 Å²	136.2	67%	0.669	73%	0.732	S	S	*	*			cis	-151	175.4	46.9	45.5	-26.6	0	0	0	118.4
831	Q	23.7	Very low	29.2	Very low	156 Å²	156	133.9 Å²	133.9	73%	0.729	73%	0.734	S	S	*	*			trans	33.2	151.3	132.2	-65.7	-177.6	-39	0	0	121.5
832	L	24.6	Very low	29.5	Very low	123 Å²	123	130.9 Å²	130.9	64%	0.644	73%	0.731	S	S	*	*			cis	-169.4	146.1	7.9	-121.7	164.6	0	0	0	108.8
833	H	26.1	Very low	29.3	Very low	147 Å²	147	130.5 Å²	130.5	68%	0.681	74%	0.738	S	S	*	*				166.1	131.5	122.9	-104.4	-88.8	0	0	0	117
834	H	27.3	Very low	29	Very low	132 Å²	132	128 Å²	128	61%	0.611	73%	0.734	S	S	*	*			trans	64	124.5	136.7	-83.8	18.7	0	0	0	126.2
835	Q	25.4	Very low	29.3	Very low	166 Å²	166	128.8 Å²	128.8	78%	0.776	74%	0.743	S	S	*	*				90.5	130.8	126.2	-74.2	171.7	-24	0	0	122.7
836	L	26.5	Very low	29.4	Very low	156 Å²	156	128 Å²	128	82%	0.817	73%	0.734	S	S	*	*			trans	-93.3	164.5	165.2	-89.9	92.1	0	0	0	111.2
837	P	44.9	Very low	29.5	Very low	112 Å²	112	133.7 Å²	133.7	73%	0.727	74%	0.743	S	S	*	*				-113.6	147.9	105.9	-7.9	27.7	0	0	0	112
838	Q	29.9	Very low	29.5	Very low	162 Å²	162	130.8 Å²	130.8	76%	0.757	74%	0.742	S	S	*	*				58.7	132.9	72.4	-60.1	-156.8	-83.7	0	0	114.2
839	D	27.4	Very low	29.6	Very low	131 Å²	131	133.6 Å²	133.6	70%	0.701	75%	0.748	S	S	*	*			cis	-165	166.2	-6.9	-121.6	113.7	0	0	0	107.9
840	A	31.4	Very low	31.4	Very low	83 Å²	83	131 Å²	131	69%	0.686	75%	0.745	S	S	*	*			cis	-139	-129.5	4.3	0	0	0	0	0	111.3
841	S	32.2	Very low	31.9	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	75%	0.754	S	S	*	*			cis	-156.9	179.7	13	71.2	0	0	0	0	115.3
842	S	33.7	Very low	32	Very low	98 Å²	98	128.7 Å²	128.7	69%	0.685	76%	0.758	S	S	*	*			trans	-54.1	155	176.7	48.9	0	0	0	0	117.7
843	C	28.3	Very low	32.2	Very low	127 Å²	127	128.7 Å²	128.7	86%	0.858	77%	0.767	S	S	*	*			cis	-166.4	166.7	-5.1	-96.8	0	0	0	0	108.1
844	G	31.2	Very low	32.3	Very low	65 Å²	65	130.5 Å²	130.5	67%	0.67	78%	0.776	S	S	*	*			cis	130.9	89.9	-6.8	0	0	0	0	0	115.5
845	L	31.5	Very low	32.5	Very low	188 Å²	188	132.9 Å²	132.9	98%	0.984	79%	0.787	S	S	*	*			trans	-159.6	142.6	160.9	-72.5	-175.7	0	0	0	108.8
846	G	28.5	Very low	33.9	Very low	58 Å²	58	129.9 Å²	129.9	60%	0.598	78%	0.782	S	S	*	*			cis	175.5	164.6	-7.8	0	0	0	0	0	112.4
847	F	29	Very low	33.9	Very low	210 Å²	210	128.6 Å²	128.6	92%	0.921	78%	0.78	S	S	*	*			trans	73.7	148.4	178.4	-50.3	-76	0	0	0	118.7
848	S	25.8	Very low	33.2	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	79%	0.786	S	S	*	*			cis	-170	153.1	-46.5	-99.9	0	0	0	0	111
849	F	28.3	Very low	32.9	Very low	207 Å²	207	126.2 Å²	126.2	91%	0.908	78%	0.781	S	S	*	*			trans	-111	-149.9	-177.5	-82.2	-84.9	0	0	0	112.7
850	P	66.3	Low	33.7	Very low	107 Å²	107	126 Å²	126	70%	0.695	79%	0.787	S	S	*	*				-123.4	-170.1	-88.7	41.1	-25.6	0	0	0	114
851	P	48.3	Very low	35	Very low	132 Å²	132	127.8 Å²	127.8	86%	0.857	79%	0.791	S	S	*	*				-132.3	-177	106.5	39.5	-31	0	0	0	112.2
852	G	25.6	Very low	36	Very low	78 Å²	78	127.1 Å²	127.1	80%	0.804	78%	0.784	S	S	*	*			cis	-159.2	-148.3	8.9	0	0	0	0	0	113.4
853	C	28.6	Very low	35.8	Very low	123 Å²	123	131 Å²	131	83%	0.831	79%	0.792	S	S	*	*			trans	-159.8	157.3	-164.2	-169.7	0	0	0	0	113.3
854	E	27.8	Very low	35.9	Very low	186 Å²	186	129.1 Å²	129.1	87%	0.869	79%	0.785	S	S	*	*				157.6	161.6	129.9	-79	-160.1	115.9	0	0	114.5
855	Q	31.3	Very low	35.7	Very low	181 Å²	181	133.4 Å²	133.4	85%	0.846	79%	0.792	S	S	*	*			trans	-146.5	-147.5	-170.8	-53.5	-175.7	-18.1	0	0	110.1
856	P	54.7	Low	36	Very low	103 Å²	103	130 Å²	130	67%	0.669	78%	0.781	S	S	*	*			cis	-139.2	-162.5	-23.1	25	2.5	0	0	0	115.4
857	V	26.9	Very low	37.5	Very low	129 Å²	129	132.8 Å²	132.8	78%	0.782	79%	0.788	S	S	*	*			trans	90.6	148.1	152.4	-177	0	0	0	0	120.4
858	L	29.7	Very low	37.2	Very low	161 Å²	161	129.4 Å²	129.4	84%	0.843	78%	0.78	S	S	*	*			cis	-175.3	135.3	-46.2	-143.6	147.8	0	0	0	113.3
859	G	24.4	Very low	37.2	Very low	63 Å²	63	130 Å²	130	65%	0.649	77%	0.771	S	S	*	*			trans	82.3	178.1	153.7	0	0	0	0	0	119.7
860	P	44.2	Very low	37	Very low	128 Å²	128	129.1 Å²	129.1	83%	0.831	76%	0.762	S	S	*	*			cis	-134	-153.4	3.4	51.6	-33.7	0	0	0	113.2
861	P	59.3	Low	35	Very low	119 Å²	119	131.2 Å²	131.2	77%	0.773	76%	0.763	S	S	*	*			trans	-116.1	-142.6	-153.9	34.3	-7.3	0	0	0	113.1
862	P	53.8	Low	33.9	Very low	96 Å²	96	132 Å²	132	62%	0.623	76%	0.759	S	S	*	*			cis	-148.8	176.3	-2.8	45.9	-24.8	0	0	0	121.2
863	E	28	Very low	33.8	Very low	180 Å²	180	133.6 Å²	133.6	84%	0.841	76%	0.758	S	S	*	*			trans	80.1	161.9	134.8	-86.8	175.5	118.3	0	0	129
864	A	30.1	Very low	33.7	Very low	87 Å²	87	135 Å²	135	72%	0.719	76%	0.755	S	S	*	*			trans	81.1	128.4	173.2	0	0	0	0	0	119.4
865	L	28.2	Very low	33.7	Very low	155 Å²	155	132.7 Å²	132.7	81%	0.812	75%	0.748	S	S	*	*			cis	84	149.1	29.6	-63.6	172.8	0	0	0	115.5
866	P	37.7	Very low	35	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	74%	0.742	S	S	*	*			cis	-133.7	-167.5	-22.3	40.1	-20.3	0	0	0	113.5
867	P	58.9	Low	34.9	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	74%	0.743	S	S	*	*			trans	-113.4	177.6	-177.5	42.2	-33	0	0	0	116.1
868	D	23.9	Very low	34.9	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	74%	0.739	S	S	*	*			trans	-176	165.5	167.1	-99.7	-9.9	0	0	0	110.9
869	Q	24.7	Very low	34.8	Very low	124 Å²	124	127.8 Å²	127.8	58%	0.579	74%	0.737	S	S	*	*			cis	-169.5	172.9	-34.4	-119.9	-170.4	86.8	0	0	109.8
870	Y	25.8	Very low	34.9	Very low	187 Å²	187	132.4 Å²	132.4	73%	0.733	75%	0.746	S	S	*	*			trans	70.1	161.7	165.5	-53.3	-63.1	0	0	0	121.3
871	E	23.6	Very low	34.1	Very low	151 Å²	151	134.6 Å²	134.6	71%	0.706	75%	0.745	S	S	*	*			cis	-171.6	176.8	-49.5	-134.5	-172.3	159.4	0	0	111.5
872	L	25.7	Very low	33.4	Very low	149 Å²	149	134.7 Å²	134.7	78%	0.78	75%	0.745	S	S	*	*			trans	69	146.5	160.2	-69.7	155.6	0	0	0	118.5
873	S	23.6	Very low	32.3	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	75%	0.75	S	S	*	*			cis	-154.5	-176.3	-8.7	-163	0	0	0	0	111.4
874	M	25.1	Very low	33.1	Very low	153 Å²	153	132 Å²	132	75%	0.754	75%	0.751	S	S	*	*			trans	-123.5	143.6	-164.6	-85.2	-87.1	-157.4	0	0	115.8
875	N	27.4	Very low	33.1	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	75%	0.748	S	S	*	*			trans	65.4	173.2	139.8	-80.5	-23.9	0	0	0	121.2
876	P	58.6	Low	33	Very low	111 Å²	111	133.1 Å²	133.1	72%	0.721	76%	0.755	S	S	*	*			cis	-133.3	-144.4	-37.9	39.6	-20.1	0	0	0	109.8
877	P	52.9	Low	32.6	Very low	107 Å²	107	132.6 Å²	132.6	70%	0.695	76%	0.76	S	S	*	*			cis	-136.3	-173.4	-17	40.7	-21.9	0	0	0	116.7
878	S	27.5	Very low	31	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	77%	0.768	S	S	*	*			trans	81.2	126.7	156.7	-58.9	0	0	0	0	118.7
879	L	27.9	Very low	31.2	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	77%	0.768	S	S	*	*				79.9	134.4	51.4	-66.7	168	0	0	0	112.4
880	L	26.4	Very low	31.3	Very low	159 Å²	159	140.2 Å²	140.2	83%	0.832	79%	0.786	S	S	*	*			cis	-160.7	178	37.9	-120	141.8	0	0	0	114.9
881	H	27.1	Very low	31.4	Very low	175 Å²	175	136.3 Å²	136.3	81%	0.81	79%	0.792	S	S	*	*			trans	-76.1	-174.5	167.9	-99.6	-81.7	0	0	0	112.7
882	P	44.9	Very low	31.7	Very low	120 Å²	120	137 Å²	137	78%	0.779	80%	0.797	S	S	*	*			cis	-142.2	-158.7	19.7	42.8	-19.8	0	0	0	117.2
883	A	29.8	Very low	32.6	Very low	88 Å²	88	136 Å²	136	73%	0.727	80%	0.8	S	S	*	*			trans	-86.2	-170.2	176.3	0	0	0	0	0	112.7
884	P	45.2	Very low	32.8	Very low	132 Å²	132	133.2 Å²	133.2	86%	0.857	79%	0.789	S	S	*	*			cis	-133.5	-147.8	32.2	43.3	-22.5	0	0	0	114.4
885	G	30	Very low	33	Very low	64 Å²	64	133.3 Å²	133.3	66%	0.66	79%	0.791	S	S	*	*			trans	-113.7	-145.1	-177.5	0	0	0	0	0	115.6
886	E	27.3	Very low	33	Very low	202 Å²	202	135.1 Å²	135.1	94%	0.944	80%	0.799	S	S	*	*			trans	84.8	167.9	-172.5	-59.5	-160.6	131.8	0	0	118
887	A	27.5	Very low	31.5	Very low	106 Å²	106	133.3 Å²	133.3	88%	0.876	80%	0.801	S	S	*	*			trans	89.2	143.2	165.1	0	0	0	0	0	120.5
888	E	25.1	Very low	30.3	Very low	196 Å²	196	131.9 Å²	131.9	92%	0.916	81%	0.806	S	S	*	*			trans	-93.1	174.4	-176.9	-66.7	173.9	81.9	0	0	114
889	A	29.3	Very low	31.4	Very low	91 Å²	91	133.3 Å²	133.3	75%	0.752	81%	0.813	S	S	*	*			trans	-51.4	157.8	176.4	0	0	0	0	0	116.8
890	R	27.7	Very low	31.3	Very low	252 Å²	252	130 Å²	130	95%	0.951	81%	0.808	S	S	*	*				-172.1	127.8	127.8	-106.3	162.9	-174.7	-168.8	3	114.7
891	A	27.2	Very low	31.4	Very low	104 Å²	104	131 Å²	131	86%	0.86	81%	0.808	S	S	*	*			trans	-155.9	110.2	145.5	0	0	0	0	0	109.9
892	M	29.1	Very low	31.5	Very low	166 Å²	166	127.2 Å²	127.2	82%	0.818	80%	0.801	S	S	*	*			trans	-110.6	149.7	169.4	-95.7	-77.6	175.2	0	0	107
893	P	44.7	Very low	30.7	Very low	129 Å²	129	129.2 Å²	129.2	84%	0.838	81%	0.805	S	S	*	*				-143.6	167.6	66.7	38.4	-20.7	0	0	0	115.9
894	G	27.9	Very low	30.6	Very low	53 Å²	53	129.6 Å²	129.6	55%	0.546	80%	0.803	S	S	.	*			cis	158	177	-8.5	0	0	0	0	0	113.8
895	I	28.9	Very low	29.9	Very low	154 Å²	154	131.5 Å²	131.5	79%	0.79	81%	0.805	S	S	*	*			trans	76.8	108.8	161.9	-59	-179.5	0	0	0	118.2
896	L	28.9	Very low	29.7	Very low	174 Å²	174	132.2 Å²	132.2	91%	0.911	81%	0.812	S	S	*	*			trans	60.8	140.2	155	-57.7	168	0	0	0	118.8
897	G	27	Very low	30	Very low	74 Å²	74	131 Å²	131	76%	0.763	81%	0.809	S	S	*	*			cis	178.9	149.6	-5.8	0	0	0	0	0	110.4
898	G	27.1	Very low	30	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	80%	0.801	S	S	*	*			trans	-96.3	-141	-179.7	0	0	0	0	0	113.5
899	P	50.1	Low	30.1	Very low	130 Å²	130	130.4 Å²	130.4	84%	0.844	80%	0.799	S	S	*	*			cis	-135.7	153.7	-47.5	37.6	-23.8	0	0	0	113.5
900	A	26.7	Very low	30.3	Very low	86 Å²	86	133.8 Å²	133.8	71%	0.711	80%	0.803	S	S	*	*			trans	-158.8	120.5	169.5	0	0	0	0	0	108.9
901	Q	27.7	Very low	30.7	Very low	179 Å²	179	127.7 Å²	127.7	84%	0.836	80%	0.796	S	S	*	*				94.8	129.8	81	-80.4	177.5	83.4	0	0	114
902	S	28.8	Very low	30.8	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	80%	0.795	S	S	*	*			trans	-4.2	143.4	155.8	53.4	0	0	0	0	120.3
903	D	28.3	Very low	30.9	Very low	162 Å²	162	124.9 Å²	124.9	87%	0.866	79%	0.793	S	S	*	*				-158.7	-178.5	99.6	-122.5	-41.1	0	0	0	114.7
904	S	28.4	Very low	30.2	Very low	97 Å²	97	126.5 Å²	126.5	68%	0.678	79%	0.794	S	S	*	*			trans	-107.2	-179.8	-168.6	-169.1	0	0	0	0	114.7
905	L	30.3	Very low	30.3	Very low	172 Å²	172	131.4 Å²	131.4	90%	0.901	81%	0.806	S	S	*	*			trans	80.8	139.1	167.5	-50.2	172.8	0	0	0	118.3
906	G	26.7	Very low	30.3	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	81%	0.81	S	S	*	*			trans	147.6	108.8	166.6	0	0	0	0	0	114.7
907	M	31.9	Very low	30.3	Very low	178 Å²	178	128.3 Å²	128.3	88%	0.877	80%	0.801	S	S	*	*			trans	-98.2	147.2	161.8	-65.9	-103.9	77.6	0	0	109
908	S	29	Very low	30.5	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	81%	0.806	S	S	*	*				154.3	144.2	121.9	-83.6	0	0	0	0	115.8
909	E	26.4	Very low	30.8	Very low	188 Å²	188	139 Å²	139	88%	0.879	81%	0.813	S	S	*	*			trans	73.8	159.5	143.2	-72.1	174.6	140.8	0	0	122.7
910	L	34.2	Very low	30	Very low	161 Å²	161	140.7 Å²	140.7	84%	0.843	81%	0.811	S	S	*	*			trans	-92.9	176.3	-176.5	-61	163.5	0	0	0	110.1
911	P	35.6	Very low	30.2	Very low	124 Å²	124	145.4 Å²	145.4	81%	0.805	82%	0.819	S	S	*	*				-139.6	156.3	91.1	36.7	-24	0	0	0	114.6
912	A	29.4	Very low	30.3	Very low	100 Å²	100	143.6 Å²	143.6	83%	0.826	82%	0.82	S	S	*	*			trans	-83.4	155.1	166.7	0	0	0	0	0	111.6
913	S	31.4	Very low	30.5	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	83%	0.826	S	S	*	*			trans	-153.2	148	178.1	56.1	0	0	0	0	110.6
914	L	28.6	Very low	30.4	Very low	162 Å²	162	143.8 Å²	143.8	85%	0.848	82%	0.818	S	S	*	*			cis	-149.4	141.4	-28.8	-156.9	141.5	0	0	0	107
915	L	30.7	Very low	30.5	Very low	156 Å²	156	143.8 Å²	143.8	82%	0.817	82%	0.818	S	S	*	*			trans	-89.1	123.5	-177.8	-79	165.9	0	0	0	111.1
916	D	28.9	Very low	30.5	Very low	161 Å²	161	144 Å²	144	86%	0.861	81%	0.814	S	S	*	*			trans	-103.2	107.9	168.7	-137.3	6.6	0	0	0	107.8
917	S	30.2	Very low	31.1	Very low	103 Å²	103	149.6 Å²	149.6	72%	0.72	82%	0.819	S	S	*	*			trans	-160.2	68.6	-173.3	-78	0	0	0	0	112.5
918	E	31.1	Very low	30.8	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	81%	0.809	S	S	*	*			trans	-122.3	165.4	175.4	-68.6	-157	130.8	0	0	114
919	M	32.3	Very low	30.7	Very low	189 Å²	189	148.6 Å²	148.6	93%	0.931	82%	0.816	S	S	*	*			trans	76.9	59.6	-180	-59	-161.8	-75.3	0	0	118
920	M	33.7	Very low	30.7	Very low	165 Å²	165	145.6 Å²	145.6	81%	0.813	81%	0.81	S	S	*	*			trans	-147	75.8	149.9	-168.2	158.4	177.7	0	0	113.1
921	E	31	Very low	30.4	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	81%	0.808	S	S	*	*			trans	-108	172.2	171.6	-73.7	-149.3	121.3	0	0	113.5
922	T	29.6	Very low	29.9	Very low	140 Å²	140	145.4 Å²	145.4	86%	0.859	81%	0.807	S	S	*	*			trans	82	68.4	-179.9	68.4	0	0	0	0	117.6
923	V	32.7	Very low	30	Very low	132 Å²	132	151.4 Å²	151.4	80%	0.8	83%	0.825	S	S	*	*			trans	-130.5	97.2	144.2	-176.2	0	0	0	0	108.5
924	D	26.1	Very low	29.9	Very low	130 Å²	130	153.4 Å²	153.4	70%	0.695	83%	0.827	S	S	*	*			trans	-59.5	144.6	175.1	-176.2	18.8	0	0	0	111.3
925	S	31.4	Very low	30	Very low	97 Å²	97	152.9 Å²	152.9	68%	0.678	83%	0.826	S	S	*	*			trans	-143.8	78.3	-175.9	-66.7	0	0	0	0	109.6
926	Q	29.9	Very low	30	Very low	176 Å²	176	152.8 Å²	152.8	82%	0.822	83%	0.826	S	S	*	*			trans	-62	153.8	178.2	-67.5	-166.9	-10.5	0	0	113
927	Q	38.3	Very low	30	Very low	195 Å²	195	152.3 Å²	152.3	91%	0.911	82%	0.824	S	S	*	*			trans	-108.6	170.5	-146	-59.8	173.3	-14	0	0	115.2
928	G	25.6	Very low	30	Very low	63 Å²	63	155.4 Å²	155.4	65%	0.649	83%	0.831	S	S	*	*			trans	174.7	127.4	156.8	0	0	0	0	0	110.9
929	F	28	Very low	29.9	Very low	196 Å²	196	153.4 Å²	153.4	86%	0.86	83%	0.829	S	S	*	*			cis	-150.1	145.4	2.7	-98.5	-100.5	0	0	0	111.1
930	V	25.4	Very low	29.8	Very low	124 Å²	124	150.9 Å²	150.9	75%	0.752	82%	0.821	S	S	*	*			trans	58.1	131.1	141.2	171.2	0	0	0	0	121.3
931	L	28.7	Very low	29.5	Very low	153 Å²	153	149.8 Å²	149.8	80%	0.801	82%	0.822	S	S	*	*			trans	-78.9	154.4	166.4	-61.5	73.9	0	0	0	112.1
932	V	25.9	Very low	29.3	Very low	128 Å²	128	146.8 Å²	146.8	78%	0.776	82%	0.818	S	S	*	*			trans	-142.3	124.7	131.7	-175.3	0	0	0	0	108.8
933	N	30.6	Very low	29.3	Very low	227 Å²	227	147.4 Å²	147.4	100%	1.214	81%	0.814	S	S	*	*			trans	44.8	0	170.6	-63.5	3.9	0	0	0	117.8

Retrieved 933 of 933 residues in 856.4 ms (Link to these results)

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