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Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.

AlphaFold DB , UniProt , Accession A0A3Q0KES3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 841 aa.

						>A0A3Q0KES3_SCHMA|A0A3Q0KES3
MNSRRCSSFKELSIVQDAKNLRDSFNRNLHFYVVKDRNIATMRDFYVALARTVWEQLCSRWVKTQELYATEDPKMVCFLSMEFFMGRTLKNTMLNVDATEALDEAMYQLGLDIEELEEMECDAGLGNGGLGRLAACFLDSMATIGLPAYGYGIRYENGAFHQMIKDGWQVEEPDEWLLYGNPWEKERPESTRIVQFYGRVIRNHLDQCKWIDTETICALPYEVPIPGYRNQTCNTLRLWAAKGRKYFDTKIIHNNDYINAILGRNEAENISRVLYPIESAFEGKELQLKQEYFLVSATLQDILYQFKSSYPTYELFELPNKVVIHINDTHPALAIPELMRILVDIECMDWIDAWDICSRVFTHTNHVSQVECLKYWPLDMLQRVLPRHVEIIRNIDCHFKSVINRRWPSDENRFQRMSIFQEINEPVVSMDHLCIIGSHFVNGVSIFQTNHLINVLFKDFADLWPSKFTNKTNGISPRRWLLVCNPGLTDLIRSTMQSDDWVKNLIMLNRLKEKLNDGNFRNRLILVKQDNKNRFVAYMQQHRNIQLNPSSLFDVHVKRVLEYKRPLLPCLYAITMYNRLKANPEMKMCPRTIIIGGKAAPGYHMAKMIIKLINSVARIIDFDPITTGKLKLIFLRNYRVSLAERIIPATDLSEQIPCVGTEASGTGNMKFMLNGALTIGTMDGSNIEIFQEVGHSNAFVFGRTIEEVNYLRKTGYNPMRYISSNPELRLCLDQIRDGYYCPNEPDLFKDLYKKLVTEDKFMVCADYADYMRAQAEVESAYKDEVRWSKMVLMNIAAAGKFSSDRTVREYARDIWRVEPIVVKESIKYNLENNQLQKFSSN
					

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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	35.1	Very low	36.3	Very low	237 Å²	237	167.5 Å²	167.5	100%	1.167	84%	0.843	S	S	*	*				0	23.6	0	-82.6	178.6	173.4	0	0	113.3
2	N	35.4	Very low	37.3	Very low	167 Å²	167	163.4 Å²	163.4	89%	0.893	82%	0.824	S	S	*	*			trans	-101.8	10.9	-166.4	-73.6	-2.2	0	0	0	116.3
3	S	36.1	Very low	38.2	Very low	120 Å²	120	154.2 Å²	154.2	84%	0.839	78%	0.784	S	S	*	*	S	Bend	trans	-101.3	8.7	-171.2	64.7	0	0	0	0	116.8
4	R	39.3	Very low	39.7	Very low	238 Å²	238	147.5 Å²	147.5	90%	0.898	75%	0.75	S	S	*	*			trans	-109.4	1.7	-174.8	-80.4	-170.7	179.4	-177.7	0.5	116.9	C6	R4-C6 VanDerWaalsContact C-N 3.34Å; R4-C6 PolarHBondContact O-N 2.67Å
5	R	36.4	Very low	41.3	Very low	253 Å²	253	141.6 Å²	141.6	96%	0.955	72%	0.724	S	S	*	*			trans	-89.7	73.2	173	-71.7	-174	-179.6	-178.7	0.8	109.9
6	C	27.7	Very low	43.3	Very low	118 Å²	118	135.8 Å²	135.8	80%	0.797	69%	0.693	S	S	*	*			trans	-80.1	117.4	165.7	-150.2	0	0	0	0	107.3	R4 S8	R4-C6 VanDerWaalsContact C-N 3.34Å; R4-C6 PolarHBondContact O-N 2.67Å; C6-S8 VanDerWaalsContact C-N 3.27Å; C6-S8 PolarHBondContact O-N 3.47Å
7	S	34.7	Very low	45.8	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	67%	0.672	S	S	*	*			trans	-70.9	80.8	178.7	57.9	0	0	0	0	110.1	F9	S7-F9 PolarHBondContact O-N 2.69Å
8	S	33.3	Very low	48.2	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	64%	0.639	S	S	*	*			trans	-81.8	45.6	177.5	73.7	0	0	0	0	112.5	C6 K10	C6-S8 VanDerWaalsContact C-N 3.27Å; C6-S8 PolarHBondContact O-N 3.47Å; S8-K10 PolarHBondContact O-N 3.2Å
9	F	40.6	Very low	50.5	Low	172 Å²	172	124.8 Å²	124.8	75%	0.754	63%	0.634	S	S	*	*			trans	-90.6	98.2	166.8	-92	-84.7	0	0	0	107.9	S7 E11 L12	S7-F9 PolarHBondContact O-N 2.69Å; F9-E11 PolarHBondContact O-N 2.85Å; F9-L12 HydrophobicContact CD1-CD1 4.07Å; F9-L12 HydrophobicContact CE1-CD1 4.13Å
10	K	37.9	Very low	52.6	Low	196 Å²	196	121.4 Å²	121.4	85%	0.852	62%	0.618	S	S	*	*			trans	-52	128.6	158.6	-81.8	-179	173.8	-179.8	0	106.9	S8 L12	S8-K10 PolarHBondContact O-N 3.2Å; K10-L12 PolarHBondContact O-N 3.4Å
11	E	42.6	Very low	54.5	Low	119 Å²	119	115.6 Å²	115.6	56%	0.556	59%	0.588	S	S	*	*			trans	-46.3	109.7	-175.7	-70.9	-179.6	136.2	0	0	111.1	F9 S13 S825	F9-E11 PolarHBondContact O-N 2.85Å; E11-S13 PolarHBondContact O-N 3.32Å; E11-S825 WeakPolarHBondContact OE1-CB 3.04Å
12	L	48.5	Very low	57.4	Low	118 Å²	118	107.8 Å²	107.8	62%	0.618	55%	0.546	S	S	*	.			trans	-75.8	74.4	165.8	-78.4	156.8	0	0	0	107.3	F9 K10 I14	F9-L12 HydrophobicContact CD1-CD1 4.07Å; F9-L12 HydrophobicContact CE1-CD1 4.13Å; K10-L12 PolarHBondContact O-N 3.4Å; L12-I14 PolarHBondContact O-N 2.98Å
13	S	49.2	Very low	60.2	Low	44 Å²	44	103.5 Å²	103.5	31%	0.308	52%	0.523	S	S	.	.			trans	-77.2	93.6	164	68.7	0	0	0	0	107.4	E11 V15	E11-S13 PolarHBondContact O-N 3.32Å; S13-V15 PolarHBondContact O-N 3.46Å; S13-V15 VanDerWaalsContact O-N 3.13Å
14	I	58.7	Low	63	Low	60 Å²	60	97.9 Å²	97.9	31%	0.308	48%	0.484	S	S	.	.			trans	-70.4	111.6	176.7	-55.7	170.4	0	0	0	106.9	L12 Q16 E55	L12-I14 PolarHBondContact O-N 2.98Å; I14-Q16 PolarHBondContact O-N 3.45Å; I14-E55 HydrophobicContact CD1-CB 4.37Å
15	V	63.1	Low	65.7	Low	59 Å²	59	86.6 Å²	86.6	36%	0.358	44%	0.441	S	S	.	.			trans	-66.8	117.1	171.4	177.2	0	0	0	0	107	S13 D17 N20	S13-V15 PolarHBondContact O-N 3.46Å; S13-V15 VanDerWaalsContact O-N 3.13Å; V15-D17 HydrophobicContact CG1-CB 4.27Å; V15-D17 WeakPolarHBondContact CG1-OD2 3.48Å; V15-D17 PolarHBondContact O-N 3.3Å; V15-N20 WeakPolarHBondContact O-CB 3.13Å; V15-N20 PolarHBondContact O-ND2 3.46Å
16	Q	74.1	Confident	68.6	Low	49 Å²	49	76.6 Å²	76.6	23%	0.229	41%	0.407	C	S	.	.			trans	-79.1	43.6	-175.8	-63.9	174.1	-51.1	0	0	112.1	I14 V96 A101	I14-Q16 PolarHBondContact O-N 3.45Å; Q16-V96 PolarHBondContact NE2-O 2.72Å; Q16-A101 WeakPolarHBondContact O-CB 3.36Å
17	D	85.5	Confident	71.9	Confident	63 Å²	63	76.4 Å²	76.4	34%	0.337	39%	0.389	S	S	.	.			trans	-85	156.9	171	66.2	48.9	0	0	0	110.8	V15 K19 N20 L21	V15-D17 HydrophobicContact CG1-CB 4.27Å; V15-D17 WeakPolarHBondContact CG1-OD2 3.48Å; V15-D17 PolarHBondContact O-N 3.3Å; D17-K19 PolarHBondContact O-N 3.22Å; D17-K19 WeakPolarHBondContact OD1-CB 3.43Å; D17-K19 PolarHBondContact OD1-N 2.74Å; D17-K19 VanDerWaalsContact OD1-N 3.16Å; D17-N20 VanDerWaalsContact CG-ND2 3.31Å; D17-N20 PolarHBondContact O-N 2.99Å; D17-N20 WeakPolarHBondContact OD1-CB 3.46Å; D17-N20 VanDerWaalsContact OD1-CG 3.27Å; D17-N20 PolarHBondContact OD1-N 3.14Å; D17-N20 PolarHBondContact OD1-ND2 3.23Å; D17-N20 PolarHBondContact OD2-ND2 3.48Å; D17-L21 WeakPolarHBondContact O-CG 3.32Å; D17-L21 PolarHBondContact O-N 2.89Å; D17-L21 VanDerWaalsContact O-N 3.09Å
18	A	88.9	Confident	74.9	Confident	9 Å²	9	71.8 Å²	71.8	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-57.4	-32.9	-177.1	0	0	0	0	0	112.4	R22 E104 A105	A18-R22 WeakPolarHBondContact O-CB 3.48Å; A18-R22 PolarHBondContact O-N 3.47Å; A18-E104 HydrophobicContact CB-CB 4.17Å; A18-E104 HydrophobicContact CB-CG 4.16Å; A18-A105 HydrophobicContact CB-CB 4.37Å
19	K	92.3	Very high	77.9	Confident	127 Å²	127	66.6 Å²	66.6	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-66.6	-51.7	179.5	-179.6	-173.1	174.2	-171.5	0	111.4	D17 L21 R22 D23	D17-K19 PolarHBondContact O-N 3.22Å; D17-K19 WeakPolarHBondContact OD1-CB 3.43Å; D17-K19 PolarHBondContact OD1-N 2.74Å; D17-K19 VanDerWaalsContact OD1-N 3.16Å; K19-L21 VanDerWaalsContact C-N 3.31Å; K19-L21 PolarHBondContact O-N 3.34Å; K19-R22 WeakPolarHBondContact O-CB 3.36Å; K19-R22 PolarHBondContact O-N 2.89Å; K19-D23 PolarHBondContact O-N 3.47Å
20	N	91.8	Very high	80.6	Confident	56 Å²	56	63.7 Å²	63.7	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-36.8	-179.3	-68.1	-31.7	0	0	0	111.7	V15 D17 D23 S24	V15-N20 WeakPolarHBondContact O-CB 3.13Å; V15-N20 PolarHBondContact O-ND2 3.46Å; D17-N20 VanDerWaalsContact CG-ND2 3.31Å; D17-N20 PolarHBondContact O-N 2.99Å; D17-N20 WeakPolarHBondContact OD1-CB 3.46Å; D17-N20 VanDerWaalsContact OD1-CG 3.27Å; D17-N20 PolarHBondContact OD1-N 3.14Å; D17-N20 PolarHBondContact OD1-ND2 3.23Å; D17-N20 PolarHBondContact OD2-ND2 3.48Å; N20-D23 PolarHBondContact O-N 3.35Å; N20-S24 WeakPolarHBondContact O-CB 3.5Å; N20-S24 PolarHBondContact O-N 2.86Å
21	L	93.1	Very high	83.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-39.8	175.9	-68.4	169.5	0	0	0	111.5	D17 K19 S24 F25 T52 Q56 A101 L102 A105	D17-L21 WeakPolarHBondContact O-CG 3.32Å; D17-L21 PolarHBondContact O-N 2.89Å; D17-L21 VanDerWaalsContact O-N 3.09Å; K19-L21 VanDerWaalsContact C-N 3.31Å; K19-L21 PolarHBondContact O-N 3.34Å; L21-S24 PolarHBondContact O-N 2.96Å; L21-F25 WeakPolarHBondContact O-CB 3.23Å; L21-F25 PolarHBondContact O-N 2.64Å; L21-T52 HydrophobicContact CD2-CG2 4.12Å; L21-Q56 HydrophobicContact CD2-CG 4.45Å; L21-A101 HydrophobicContact CD1-CB 3.56Å; L21-L102 HydrophobicContact CB-CD2 4.03Å; L21-L102 HydrophobicContact CD1-CD2 4.01Å; L21-L102 HydrophobicContact CD1-CG 3.99Å; L21-L102 HydrophobicContact CD2-CD2 4.1Å; L21-L102 HydrophobicContact CG-CD2 4.27Å; L21-A105 HydrophobicContact CB-CB 4.41Å
22	R	95.1	Very high	85.9	Confident	73 Å²	73	61.2 Å²	61.2	28%	0.275	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-41.3	172.3	-173.3	-178.1	67.3	-162.8	2.4	112.2	A18 K19 F25 N26 A105 L109	A18-R22 WeakPolarHBondContact O-CB 3.48Å; A18-R22 PolarHBondContact O-N 3.47Å; K19-R22 WeakPolarHBondContact O-CB 3.36Å; K19-R22 PolarHBondContact O-N 2.89Å; R22-F25 PolarHBondContact O-N 3Å; R22-N26 PolarHBondContact O-N 3.01Å; R22-N26 PolarHBondContact O-ND2 3.34Å; R22-A105 HydrophobicContact CB-CB 4.22Å; R22-L109 HydrophobicContact CG-CD1 4.03Å; R22-L109 HydrophobicContact CG-CD2 3.66Å; R22-L109 HydrophobicContact CG-CG 3.88Å
23	D	95	Very high	88.2	Confident	76 Å²	76	56.8 Å²	56.8	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-68.3	-40.3	177.6	-68.4	-11.9	0	0	0	111.2	K19 N20 N26 R27	K19-D23 PolarHBondContact O-N 3.47Å; N20-D23 PolarHBondContact O-N 3.35Å; D23-N26 PolarHBondContact O-N 3.49Å; D23-R27 WeakPolarHBondContact O-CB 3.48Å; D23-R27 PolarHBondContact O-N 3.21Å
24	S	94.5	Very high	90.5	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-45.5	170.1	167.7	0	0	0	0	111.7	N20 L21 N26 R27 N28 T52 E55	N20-S24 WeakPolarHBondContact O-CB 3.5Å; N20-S24 PolarHBondContact O-N 2.86Å; L21-S24 PolarHBondContact O-N 2.96Å; S24-N26 PolarHBondContact O-N 3.12Å; S24-R27 WeakPolarHBondContact O-CB 3.01Å; S24-R27 PolarHBondContact O-N 2.76Å; S24-N28 PolarHBondContact O-N 3.02Å; S24-N28 PolarHBondContact O-ND2 3.12Å; S24-N28 PolarHBondContact OG-ND2 3.28Å; S24-T52 VanDerWaalsContact C-OG1 3.31Å; S24-T52 PolarHBondContact O-OG1 3.44Å; S24-T52 WeakPolarHBondContact OG-CG2 3.37Å; S24-T52 PolarHBondContact OG-OG1 3.46Å; S24-E55 WeakPolarHBondContact CB-OE2 3.22Å; S24-E55 PolarHBondContact OG-OE2 3Å
25	F	96.9	Very high	92.3	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-50	178.4	177.6	-86.6	0	0	0	111.8	L21 R22 R27 N28 L29 F45 A48 L49 T52 M106 L109 L111	L21-F25 WeakPolarHBondContact O-CB 3.23Å; L21-F25 PolarHBondContact O-N 2.64Å; R22-F25 PolarHBondContact O-N 3Å; F25-R27 VanDerWaalsContact C-N 3.29Å; F25-R27 PolarHBondContact O-N 3Å; F25-N28 PolarHBondContact O-N 3.19Å; F25-L29 HydrophobicContact CE1-CD2 4.44Å; F25-L29 WeakPolarHBondContact O-CB 3.46Å; F25-L29 PolarHBondContact O-N 3.11Å; F25-F45 HydrophobicContact CE1-CD1 4.19Å; F25-F45 WeakPolarHBondContact CE2-O 3.48Å; F25-F45 HydrophobicContact CZ-CB 4.16Å; F25-F45 AromaticContact CZ-CD1 3.79Å; F25-F45 HydrophobicContact CZ-CD1 3.79Å; F25-F45 HydrophobicContact CZ-CG 4.39Å; F25-A48 HydrophobicContact CD2-CB 4.07Å; F25-A48 HydrophobicContact CE2-CB 3.78Å; F25-A48 HydrophobicContact CZ-CB 4.1Å; F25-L49 HydrophobicContact CD2-CB 4.17Å; F25-L49 HydrophobicContact CE2-CB 3.93Å; F25-T52 WeakPolarHBondContact CA-OG1 3.37Å; F25-T52 PolarHBondContact N-OG1 3.01Å; F25-T52 VanDerWaalsContact N-OG1 3.13Å; F25-M106 HydrophobicContact CB-CE 4.07Å; F25-M106 HydrophobicContact CD1-CE 4.38Å; F25-M106 HydrophobicContact CD2-CE 3.57Å; F25-M106 HydrophobicContact CD2-SD 3.79Å; F25-M106 HydrophobicContact CE2-CE 4.04Å; F25-M106 HydrophobicContact CE2-SD 3.62Å; F25-M106 HydrophobicContact CG-CE 3.75Å; F25-M106 HydrophobicContact CG-SD 4.42Å; F25-M106 HydrophobicContact CZ-SD 4.13Å; F25-L109 HydrophobicContact CB-CD1 4.49Å; F25-L109 HydrophobicContact CD1-CD1 3.39Å; F25-L109 HydrophobicContact CE1-CD1 3.69Å; F25-L109 HydrophobicContact CG-CD1 4Å; F25-L109 HydrophobicContact CZ-CD1 4.48Å; F25-L111 HydrophobicContact CE1-CD1 3.99Å; F25-L111 HydrophobicContact CE2-CD1 4.44Å; F25-L111 HydrophobicContact CZ-CD1 3.57Å
26	N	97	Very high	93.7	Very high	43 Å²	43	60.3 Å²	60.3	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-37.2	177.7	-71.6	-63.7	0	0	0	111.8	R22 D23 S24 L29 H30 R37	R22-N26 PolarHBondContact O-N 3.01Å; R22-N26 PolarHBondContact O-ND2 3.34Å; D23-N26 PolarHBondContact O-N 3.49Å; S24-N26 PolarHBondContact O-N 3.12Å; N26-L29 PolarHBondContact O-N 2.85Å; N26-H30 WeakPolarHBondContact O-CB 3.34Å; N26-H30 PolarHBondContact O-N 3.18Å; N26-R37 PolarHBondContact ND2-NH2 3.02Å; N26-R37 PolarHBondContact OD1-NE 3.45Å; N26-R37 PolarHBondContact OD1-NH2 3.23Å
27	R	96.6	Very high	94.6	Very high	113 Å²	113	64 Å²	64	43%	0.426	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-44.8	174.7	-173.2	-178.5	59.8	-120.2	0.1	111.2	D23 S24 F25 H30 F31 E55	D23-R27 WeakPolarHBondContact O-CB 3.48Å; D23-R27 PolarHBondContact O-N 3.21Å; S24-R27 WeakPolarHBondContact O-CB 3.01Å; S24-R27 PolarHBondContact O-N 2.76Å; F25-R27 VanDerWaalsContact C-N 3.29Å; F25-R27 PolarHBondContact O-N 3Å; R27-H30 PolarHBondContact O-N 3.48Å; R27-F31 HydrophobicContact CB-CD2 4.46Å; R27-F31 HydrophobicContact CG-CD2 3.58Å; R27-F31 HydrophobicContact CG-CE2 4.06Å; R27-F31 WeakPolarHBondContact O-CB 3.45Å; R27-F31 WeakPolarHBondContact O-CD2 3.35Å; R27-F31 PolarHBondContact O-N 3.07Å; R27-E55 IonicContact CZ-OE1 2.81Å; R27-E55 IonicContact NE-OE1 2.66Å; R27-E55 IonicContact NH2-OE1 3.84Å; R27-E55 PolarHBondContact NH2-OE1 3.16Å; R27-E55 IonicContact NH2-OE2 3.76Å; R27-E55 PolarHBondContact NH2-OE2 3.14Å
28	N	97.1	Very high	95	Very high	14 Å²	14	68.2 Å²	68.2	8%	0.075	32%	0.32	C	S	.	.	I	π-helix	trans	-67.4	-41.8	177.6	-75.7	-45.8	0	0	0	111.8	S24 F25 H30 Y32 V33 A48 R51 T52 E55	S24-N28 PolarHBondContact O-N 3.02Å; S24-N28 PolarHBondContact O-ND2 3.12Å; S24-N28 PolarHBondContact OG-ND2 3.28Å; F25-N28 PolarHBondContact O-N 3.19Å; N28-H30 VanDerWaalsContact C-N 3.32Å; N28-H30 PolarHBondContact O-N 3.14Å; N28-Y32 WeakPolarHBondContact O-CA 3.42Å; N28-Y32 VanDerWaalsContact O-CB 3.24Å; N28-Y32 WeakPolarHBondContact O-CB 3.47Å; N28-Y32 PolarHBondContact O-N 3.34Å; N28-V33 PolarHBondContact O-N 3.01Å; N28-A48 HydrophobicContact CB-CB 4.4Å; N28-R51 HydrophobicContact CB-CB 4.11Å; N28-T52 PolarHBondContact ND2-N 2.97Å; N28-T52 PolarHBondContact ND2-OG1 2.9Å; N28-E55 PolarHBondContact ND2-OE1 3.32Å; N28-E55 PolarHBondContact OD1-OE1 3.02Å
29	L	97.8	Very high	95.3	Very high	4 Å²	4	72.3 Å²	72.3	2%	0.021	34%	0.34	C	S	.	.	I	π-helix	trans	-58.3	-45	174.2	-174.8	65.3	0	0	0	111.6	F25 N26 V33 V34 K35 R37 A40 D44 F45 A48	F25-L29 HydrophobicContact CE1-CD2 4.44Å; F25-L29 WeakPolarHBondContact O-CB 3.46Å; F25-L29 PolarHBondContact O-N 3.11Å; N26-L29 PolarHBondContact O-N 2.85Å; L29-V33 HydrophobicContact CD1-CB 4.48Å; L29-V33 WeakPolarHBondContact O-CB 3.44Å; L29-V34 PolarHBondContact O-N 3.11Å; L29-K35 HydrophobicContact CD1-CB 3.95Å; L29-K35 HydrophobicContact CG-CB 4.35Å; L29-K35 PolarHBondContact O-N 3.45Å; L29-R37 HydrophobicContact CD2-CG 4.17Å; L29-A40 HydrophobicContact CD1-CB 4.03Å; L29-D44 HydrophobicContact CD1-CB 4.32Å; L29-F45 HydrophobicContact CD1-CD1 4.17Å; L29-F45 HydrophobicContact CD1-CE1 4.4Å; L29-F45 HydrophobicContact CD2-CD1 4.17Å; L29-F45 HydrophobicContact CD2-CE1 3.84Å; L29-A48 HydrophobicContact CB-CB 3.99Å; L29-A48 HydrophobicContact CD1-CB 4.25Å
30	H	97.5	Very high	95.5	Very high	110 Å²	110	67.1 Å²	67.1	51%	0.509	32%	0.321	S	S	.	.	I	π-helix	trans	-76	-50.4	-176.6	-171.9	72.4	0	0	0	113.5	N26 R27 N28 V34	N26-H30 WeakPolarHBondContact O-CB 3.34Å; N26-H30 PolarHBondContact O-N 3.18Å; R27-H30 PolarHBondContact O-N 3.48Å; N28-H30 VanDerWaalsContact C-N 3.32Å; N28-H30 PolarHBondContact O-N 3.14Å; H30-V34 VanDerWaalsContact O-CA 3.31Å; H30-V34 WeakPolarHBondContact O-CA 3.5Å; H30-V34 PolarHBondContact O-N 3.35Å
31	F	96.9	Very high	95.7	Very high	153 Å²	153	67.9 Å²	67.9	67%	0.671	33%	0.327	S	S	*	.	I	π-helix	trans	-95.4	-32.5	-170.8	-65.3	-72.9	0	0	0	113.9	R27	R27-F31 HydrophobicContact CB-CD2 4.46Å; R27-F31 HydrophobicContact CG-CD2 3.58Å; R27-F31 HydrophobicContact CG-CE2 4.06Å; R27-F31 WeakPolarHBondContact O-CB 3.45Å; R27-F31 WeakPolarHBondContact O-CD2 3.35Å; R27-F31 PolarHBondContact O-N 3.07Å
32	Y	94.5	Very high	95.9	Very high	110 Å²	110	70.7 Å²	70.7	43%	0.431	34%	0.341	S	S	.	.	I	π-helix	trans	-90.9	-47.2	-178.5	-177.8	-96.6	0	0	0	111.5	N28 V47 R51	N28-Y32 WeakPolarHBondContact O-CA 3.42Å; N28-Y32 VanDerWaalsContact O-CB 3.24Å; N28-Y32 WeakPolarHBondContact O-CB 3.47Å; N28-Y32 PolarHBondContact O-N 3.34Å; Y32-V47 HydrophobicContact CD1-CG1 4.19Å; Y32-V47 HydrophobicContact CE1-CG1 3.81Å; Y32-R51 HydrophobicContact CD1-CB 4.43Å; Y32-R51 HydrophobicContact CD1-CG 3.63Å; Y32-R51 HydrophobicContact CD2-CG 4.36Å; Y32-R51 HydrophobicContact CE1-CG 3.54Å; Y32-R51 HydrophobicContact CE2-CG 4.31Å; Y32-R51 HydrophobicContact CG-CG 4.04Å
33	V	95.9	Very high	95.9	Very high	26 Å²	26	72 Å²	72	16%	0.158	35%	0.346	C	S	.	.	S	Bend	trans	-84.7	-22.3	-180	-171.1	0	0	0	0	112	N28 L29 K35 D44 V47 A48	N28-V33 PolarHBondContact O-N 3.01Å; L29-V33 HydrophobicContact CD1-CB 4.48Å; L29-V33 WeakPolarHBondContact O-CB 3.44Å; V33-K35 HydrophobicContact CG1-CB 4.34Å; V33-K35 HydrophobicContact CG1-CG 3.8Å; V33-D44 HydrophobicContact CG1-CB 3.84Å; V33-D44 WeakPolarHBondContact CG1-OD1 3.5Å; V33-V47 HydrophobicContact CG2-CB 4.22Å; V33-V47 HydrophobicContact CG2-CG1 3.92Å; V33-A48 HydrophobicContact CG2-CB 4.2Å
34	V	97.3	Very high	96	Very high	113 Å²	113	69.5 Å²	69.5	69%	0.685	33%	0.333	S	S	*	.			trans	63.4	49.3	-179.5	-162.4	0	0	0	0	111.5	L29 H30	L29-V34 PolarHBondContact O-N 3.11Å; H30-V34 VanDerWaalsContact O-CA 3.31Å; H30-V34 WeakPolarHBondContact O-CA 3.5Å; H30-V34 PolarHBondContact O-N 3.35Å
35	K	96.9	Very high	96.1	Very high	56 Å²	56	70.6 Å²	70.6	24%	0.243	34%	0.338	C	S	.	.			trans	-133.6	150	-179	-72.3	-74.6	-169	158.2	0	111.5	L29 V33 I39 A40 D44	L29-K35 HydrophobicContact CD1-CB 3.95Å; L29-K35 HydrophobicContact CG-CB 4.35Å; L29-K35 PolarHBondContact O-N 3.45Å; V33-K35 HydrophobicContact CG1-CB 4.34Å; V33-K35 HydrophobicContact CG1-CG 3.8Å; K35-I39 HydrophobicContact CD-CD1 3.86Å; K35-I39 HydrophobicContact CD-CG1 3.87Å; K35-I39 PolarHBondContact NZ-O 3.01Å; K35-A40 HydrophobicContact CB-CB 4.31Å; K35-D44 WeakPolarHBondContact CE-OD2 3Å; K35-D44 HydrophobicContact CG-CB 4.28Å; K35-D44 IonicContact NZ-OD2 2.72Å
36	D	93.5	Very high	96.2	Very high	68 Å²	68	71.4 Å²	71.4	36%	0.364	34%	0.341	S	S	.	.			trans	-103.3	165.9	159.9	74.1	87	0	0	0	110.4	N38 I39 A40	D36-N38 PolarHBondContact O-N 2.74Å; D36-N38 VanDerWaalsContact O-N 3.16Å; D36-N38 WeakPolarHBondContact OD1-CA 3.4Å; D36-N38 WeakPolarHBondContact OD1-CB 3.41Å; D36-N38 PolarHBondContact OD1-N 3.12Å; D36-N38 PolarHBondContact OD1-ND2 2.97Å; D36-I39 PolarHBondContact O-N 3.35Å; D36-I39 WeakPolarHBondContact OD2-CG1 3.45Å; D36-A40 WeakPolarHBondContact O-CB 3.37Å; D36-A40 PolarHBondContact O-N 3.04Å; D36-A40 VanDerWaalsContact O-N 3.13Å
37	R	92	Very high	96.2	Very high	127 Å²	127	70.9 Å²	70.9	48%	0.479	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.4	-174.3	-66.4	-166.7	-174.4	-177.9	11	114.2	N26 L29 I39	N26-R37 PolarHBondContact ND2-NH2 3.02Å; N26-R37 PolarHBondContact OD1-NE 3.45Å; N26-R37 PolarHBondContact OD1-NH2 3.23Å; L29-R37 HydrophobicContact CD2-CG 4.17Å; R37-I39 VanDerWaalsContact C-N 3.34Å
38	N	93.7	Very high	96.2	Very high	150 Å²	150	65.5 Å²	65.5	80%	0.802	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.8	-176.1	-53.1	-63	0	0	0	112.9	D36	D36-N38 PolarHBondContact O-N 2.74Å; D36-N38 VanDerWaalsContact O-N 3.16Å; D36-N38 WeakPolarHBondContact OD1-CA 3.4Å; D36-N38 WeakPolarHBondContact OD1-CB 3.41Å; D36-N38 PolarHBondContact OD1-N 3.12Å; D36-N38 PolarHBondContact OD1-ND2 2.97Å
39	I	96.3	Very high	96.3	Very high	96 Å²	96	64.8 Å²	64.8	49%	0.492	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	2.4	-176.6	63.7	165	0	0	0	113.3	K35 D36 R37	K35-I39 HydrophobicContact CD-CD1 3.86Å; K35-I39 HydrophobicContact CD-CG1 3.87Å; K35-I39 PolarHBondContact NZ-O 3.01Å; D36-I39 PolarHBondContact O-N 3.35Å; D36-I39 WeakPolarHBondContact OD2-CG1 3.45Å; R37-I39 VanDerWaalsContact C-N 3.34Å
40	A	96.9	Very high	96.2	Very high	17 Å²	17	64.6 Å²	64.6	14%	0.14	31%	0.314	C	S	.	.			trans	-72.1	128.6	176.3	0	0	0	0	0	110	L29 K35 D36 D44 F45	L29-A40 HydrophobicContact CD1-CB 4.03Å; K35-A40 HydrophobicContact CB-CB 4.31Å; D36-A40 WeakPolarHBondContact O-CB 3.37Å; D36-A40 PolarHBondContact O-N 3.04Å; D36-A40 VanDerWaalsContact O-N 3.13Å; A40-D44 HydrophobicContact CB-CB 4.12Å; A40-F45 HydrophobicContact CB-CD1 4.14Å; A40-F45 HydrophobicContact CB-CE1 3.53Å; A40-F45 HydrophobicContact CB-CE2 4.08Å; A40-F45 HydrophobicContact CB-CZ 3.49Å; A40-F45 VanDerWaalsContact CB-CZ 3.49Å
41	T	96.4	Very high	96.2	Very high	72 Å²	72	61.1 Å²	61.1	44%	0.442	30%	0.296	S	S	.	.			trans	-87.2	167.8	173	65.3	0	0	0	0	110.7	R43 D44 F45	T41-R43 PolarHBondContact O-N 3.48Å; T41-R43 VanDerWaalsContact O-N 3.17Å; T41-D44 WeakPolarHBondContact CB-OD2 3.2Å; T41-D44 PolarHBondContact N-OD2 2.81Å; T41-D44 WeakPolarHBondContact O-CA 3.31Å; T41-D44 WeakPolarHBondContact O-CB 3.32Å; T41-D44 PolarHBondContact O-N 3.2Å; T41-D44 VanDerWaalsContact OG1-CG 3.27Å; T41-D44 PolarHBondContact OG1-N 3.44Å; T41-D44 PolarHBondContact OG1-OD2 2.7Å; T41-F45 WeakPolarHBondContact O-CD2 3.45Å; T41-F45 PolarHBondContact O-N 3.49Å
42	M	95.5	Very high	96.1	Very high	59 Å²	59	53.9 Å²	53.9	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-56.3	-32.2	173.3	-72	-55.8	-74.4	0	0	113.2	F45 Y46 E115 L116 M119	M42-F45 HydrophobicContact SD-CD2 4.09Å; M42-Y46 PolarHBondContact O-N 3.05Å; M42-E115 HydrophobicContact CE-CB 3.59Å; M42-E115 WeakPolarHBondContact CE-OE2 3.27Å; M42-L116 HydrophobicContact CE-CD2 3.58Å; M42-L116 HydrophobicContact CE-CG 4.29Å; M42-L116 HydrophobicContact SD-CD2 4.37Å; M42-M119 HydrophobicContact CB-CG 4.25Å; M42-M119 HydrophobicContact CB-SD 3.99Å
43	R	95.3	Very high	96.1	Very high	100 Å²	100	48.6 Å²	48.6	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-67.5	-42.1	172.9	-178	177.3	-66.6	170.4	-3.5	112.2	T41 F45 Y46 V47 Y179	T41-R43 PolarHBondContact O-N 3.48Å; T41-R43 VanDerWaalsContact O-N 3.17Å; R43-F45 VanDerWaalsContact C-N 3.29Å; R43-F45 PolarHBondContact O-N 3.26Å; R43-Y46 WeakPolarHBondContact O-CB 3.49Å; R43-Y46 PolarHBondContact O-N 3.34Å; R43-V47 HydrophobicContact CG-CG2 4.36Å; R43-V47 WeakPolarHBondContact O-CG2 3.46Å; R43-V47 PolarHBondContact O-N 2.93Å; R43-Y179 VanDerWaalsContact CZ-CE2 3.41Å; R43-Y179 VanDerWaalsContact NH1-CE2 3.25Å
44	D	97.2	Very high	96	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-42.7	178.2	-63.7	-51.3	0	0	0	110.4	L29 V33 K35 A40 T41 V47 A48	L29-D44 HydrophobicContact CD1-CB 4.32Å; V33-D44 HydrophobicContact CG1-CB 3.84Å; V33-D44 WeakPolarHBondContact CG1-OD1 3.5Å; K35-D44 WeakPolarHBondContact CE-OD2 3Å; K35-D44 HydrophobicContact CG-CB 4.28Å; K35-D44 IonicContact NZ-OD2 2.72Å; A40-D44 HydrophobicContact CB-CB 4.12Å; T41-D44 WeakPolarHBondContact CB-OD2 3.2Å; T41-D44 PolarHBondContact N-OD2 2.81Å; T41-D44 WeakPolarHBondContact O-CA 3.31Å; T41-D44 WeakPolarHBondContact O-CB 3.32Å; T41-D44 PolarHBondContact O-N 3.2Å; T41-D44 VanDerWaalsContact OG1-CG 3.27Å; T41-D44 PolarHBondContact OG1-N 3.44Å; T41-D44 PolarHBondContact OG1-OD2 2.7Å; D44-V47 PolarHBondContact O-N 3.43Å; D44-A48 WeakPolarHBondContact O-CB 3.36Å; D44-A48 PolarHBondContact O-N 2.95Å
45	F	97.9	Very high	95.8	Very high	26 Å²	26	45.8 Å²	45.8	11%	0.114	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-41.8	173.7	-64.5	-48.3	0	0	0	112.5	F25 L29 A40 T41 M42 R43 A48 L49 L111 L116	F25-F45 HydrophobicContact CE1-CD1 4.19Å; F25-F45 WeakPolarHBondContact CE2-O 3.48Å; F25-F45 HydrophobicContact CZ-CB 4.16Å; F25-F45 AromaticContact CZ-CD1 3.79Å; F25-F45 HydrophobicContact CZ-CD1 3.79Å; F25-F45 HydrophobicContact CZ-CG 4.39Å; L29-F45 HydrophobicContact CD1-CD1 4.17Å; L29-F45 HydrophobicContact CD1-CE1 4.4Å; L29-F45 HydrophobicContact CD2-CD1 4.17Å; L29-F45 HydrophobicContact CD2-CE1 3.84Å; A40-F45 HydrophobicContact CB-CD1 4.14Å; A40-F45 HydrophobicContact CB-CE1 3.53Å; A40-F45 HydrophobicContact CB-CE2 4.08Å; A40-F45 HydrophobicContact CB-CZ 3.49Å; A40-F45 VanDerWaalsContact CB-CZ 3.49Å; T41-F45 WeakPolarHBondContact O-CD2 3.45Å; T41-F45 PolarHBondContact O-N 3.49Å; M42-F45 HydrophobicContact SD-CD2 4.09Å; R43-F45 VanDerWaalsContact C-N 3.29Å; R43-F45 PolarHBondContact O-N 3.26Å; F45-A48 PolarHBondContact O-N 3.32Å; F45-L49 WeakPolarHBondContact O-CB 3.21Å; F45-L49 PolarHBondContact O-N 3.11Å; F45-L111 HydrophobicContact CB-CD1 4.18Å; F45-L111 HydrophobicContact CD1-CD1 3.92Å; F45-L111 HydrophobicContact CD1-CD2 4.43Å; F45-L111 HydrophobicContact CD2-CD1 4.46Å; F45-L111 HydrophobicContact CD2-CD2 3.66Å; F45-L111 HydrophobicContact CE1-CD1 4.4Å; F45-L111 HydrophobicContact CE2-CD2 3.82Å; F45-L111 HydrophobicContact CG-CD1 3.95Å; F45-L111 HydrophobicContact CG-CD2 4Å; F45-L111 HydrophobicContact CZ-CD2 4.25Å; F45-L116 HydrophobicContact CB-CD2 3.54Å
46	Y	97.6	Very high	95.4	Very high	17 Å²	17	43.6 Å²	43.6	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-47	174.5	156.4	-101.9	0	0	0	111.9	M42 R43 A48 L49 A50 L89 L116 M119 E120 P182	M42-Y46 PolarHBondContact O-N 3.05Å; R43-Y46 WeakPolarHBondContact O-CB 3.49Å; R43-Y46 PolarHBondContact O-N 3.34Å; Y46-A48 VanDerWaalsContact C-N 3.32Å; Y46-A48 PolarHBondContact O-N 3.46Å; Y46-L49 PolarHBondContact O-N 3.23Å; Y46-A50 HydrophobicContact CE2-CB 4.27Å; Y46-A50 WeakPolarHBondContact O-CB 3.5Å; Y46-A50 PolarHBondContact O-N 3.28Å; Y46-L89 HydrophobicContact CD2-CD2 4.11Å; Y46-L89 HydrophobicContact CE2-CD2 4.13Å; Y46-L116 WeakPolarHBondContact CD2-O 3.19Å; Y46-M119 HydrophobicContact CD1-CB 4.31Å; Y46-M119 HydrophobicContact CD2-CB 4.39Å; Y46-M119 HydrophobicContact CG-CB 3.89Å; Y46-E120 HydrophobicContact CD2-CB 4.45Å; Y46-E120 HydrophobicContact CE2-CB 3.65Å; Y46-E120 HydrophobicContact CE2-CG 4.1Å; Y46-E120 WeakPolarHBondContact OH-CG 3.44Å; Y46-P182 HydrophobicContact CE1-CG 4.34Å
47	V	97.2	Very high	95.2	Very high	32 Å²	32	40.5 Å²	40.5	19%	0.194	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-40.2	-180	175.4	0	0	0	0	110.6	Y32 V33 R43 D44 A50 R51	Y32-V47 HydrophobicContact CD1-CG1 4.19Å; Y32-V47 HydrophobicContact CE1-CG1 3.81Å; V33-V47 HydrophobicContact CG2-CB 4.22Å; V33-V47 HydrophobicContact CG2-CG1 3.92Å; R43-V47 HydrophobicContact CG-CG2 4.36Å; R43-V47 WeakPolarHBondContact O-CG2 3.46Å; R43-V47 PolarHBondContact O-N 2.93Å; D44-V47 PolarHBondContact O-N 3.43Å; V47-A50 PolarHBondContact O-N 3.49Å; V47-R51 PolarHBondContact O-N 3.28Å
48	A	97.8	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-45.9	174.3	0	0	0	0	0	111.6	F25 N28 L29 V33 D44 F45 Y46 R51 T52	F25-A48 HydrophobicContact CD2-CB 4.07Å; F25-A48 HydrophobicContact CE2-CB 3.78Å; F25-A48 HydrophobicContact CZ-CB 4.1Å; N28-A48 HydrophobicContact CB-CB 4.4Å; L29-A48 HydrophobicContact CB-CB 3.99Å; L29-A48 HydrophobicContact CD1-CB 4.25Å; V33-A48 HydrophobicContact CG2-CB 4.2Å; D44-A48 WeakPolarHBondContact O-CB 3.36Å; D44-A48 PolarHBondContact O-N 2.95Å; F45-A48 PolarHBondContact O-N 3.32Å; Y46-A48 VanDerWaalsContact C-N 3.32Å; Y46-A48 PolarHBondContact O-N 3.46Å; A48-R51 PolarHBondContact O-N 2.88Å; A48-T52 PolarHBondContact O-N 3.41Å; A48-T52 PolarHBondContact O-OG1 3.14Å
49	L	97.6	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-48.4	175.7	178.1	58.2	0	0	0	111.8	F25 F45 Y46 R51 T52 V53 L89 L102 M106 I113 L116	F25-L49 HydrophobicContact CD2-CB 4.17Å; F25-L49 HydrophobicContact CE2-CB 3.93Å; F45-L49 WeakPolarHBondContact O-CB 3.21Å; F45-L49 PolarHBondContact O-N 3.11Å; Y46-L49 PolarHBondContact O-N 3.23Å; L49-R51 PolarHBondContact O-N 2.81Å; L49-T52 WeakPolarHBondContact O-CB 3.36Å; L49-T52 PolarHBondContact O-N 3.36Å; L49-T52 VanDerWaalsContact O-N 3.1Å; L49-V53 HydrophobicContact CD1-CG2 4.29Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 2.86Å; L49-L89 HydrophobicContact CD2-CD1 4.45Å; L49-L89 HydrophobicContact CD2-CD2 3.9Å; L49-L89 HydrophobicContact CG-CD1 4.16Å; L49-L89 HydrophobicContact CG-CD2 4.39Å; L49-L102 HydrophobicContact CD1-CD2 3.9Å; L49-M106 HydrophobicContact CD1-CE 4.37Å; L49-M106 HydrophobicContact CD1-CG 4.39Å; L49-M106 HydrophobicContact CD1-SD 4.1Å; L49-M106 HydrophobicContact CD2-CG 4.45Å; L49-M106 HydrophobicContact CD2-SD 4.47Å; L49-I113 HydrophobicContact CD2-CD1 4.42Å; L49-I113 HydrophobicContact CD2-CG1 4.12Å; L49-L116 HydrophobicContact CD2-CB 4.12Å; L49-L116 HydrophobicContact CD2-CD1 3.78Å
50	A	97.2	Very high	94.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.4	-39.1	177.8	0	0	0	0	0	111.2	Y46 V47 V53 W54 P182 W183	Y46-A50 HydrophobicContact CE2-CB 4.27Å; Y46-A50 WeakPolarHBondContact O-CB 3.5Å; Y46-A50 PolarHBondContact O-N 3.28Å; V47-A50 PolarHBondContact O-N 3.49Å; A50-V53 PolarHBondContact O-N 2.66Å; A50-W54 WeakPolarHBondContact O-CB 3.3Å; A50-W54 PolarHBondContact O-N 3.19Å; A50-P182 HydrophobicContact CB-CB 3.95Å; A50-P182 HydrophobicContact CB-CG 3.75Å; A50-W183 HydrophobicContact CB-CH2 4.01Å; A50-W183 HydrophobicContact CB-CZ2 3.76Å
51	R	96	Very high	94.5	Very high	37 Å²	37	27.4 Å²	27.4	14%	0.14	14%	0.135	C	C	.	.	H	α-helix	trans	-70	-39	174	-95.3	-47.8	-167.2	-142.8	-0.7	114.4	N28 Y32 V47 A48 L49 V53 W54 E55 P182	N28-R51 HydrophobicContact CB-CB 4.11Å; Y32-R51 HydrophobicContact CD1-CB 4.43Å; Y32-R51 HydrophobicContact CD1-CG 3.63Å; Y32-R51 HydrophobicContact CD2-CG 4.36Å; Y32-R51 HydrophobicContact CE1-CG 3.54Å; Y32-R51 HydrophobicContact CE2-CG 4.31Å; Y32-R51 HydrophobicContact CG-CG 4.04Å; V47-R51 PolarHBondContact O-N 3.28Å; A48-R51 PolarHBondContact O-N 2.88Å; L49-R51 PolarHBondContact O-N 2.81Å; R51-V53 VanDerWaalsContact C-N 3.28Å; R51-V53 PolarHBondContact O-N 3.14Å; R51-W54 WeakPolarHBondContact O-CA 3.37Å; R51-W54 WeakPolarHBondContact O-CB 3.42Å; R51-W54 PolarHBondContact O-N 3.12Å; R51-W54 VanDerWaalsContact O-N 3.13Å; R51-E55 WeakPolarHBondContact O-CG 3.28Å; R51-E55 PolarHBondContact O-N 3.17Å; R51-P182 PolarHBondContact NH1-O 3.02Å
52	T	95.8	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-39.9	173.4	-73.1	0	0	0	0	111.9	L21 S24 F25 N28 A48 L49 L102	L21-T52 HydrophobicContact CD2-CG2 4.12Å; S24-T52 VanDerWaalsContact C-OG1 3.31Å; S24-T52 PolarHBondContact O-OG1 3.44Å; S24-T52 WeakPolarHBondContact OG-CG2 3.37Å; S24-T52 PolarHBondContact OG-OG1 3.46Å; F25-T52 WeakPolarHBondContact CA-OG1 3.37Å; F25-T52 PolarHBondContact N-OG1 3.01Å; F25-T52 VanDerWaalsContact N-OG1 3.13Å; N28-T52 PolarHBondContact ND2-N 2.97Å; N28-T52 PolarHBondContact ND2-OG1 2.9Å; A48-T52 PolarHBondContact O-N 3.41Å; A48-T52 PolarHBondContact O-OG1 3.14Å; L49-T52 WeakPolarHBondContact O-CB 3.36Å; L49-T52 PolarHBondContact O-N 3.36Å; L49-T52 VanDerWaalsContact O-N 3.1Å; T52-L102 HydrophobicContact CG2-CD2 4.02Å
53	V	95	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.7	-44.7	172.4	177.1	0	0	0	0	110.5	L49 A50 R51 E55 Q56 L57 L89 T92 M93 L102 W183	L49-V53 HydrophobicContact CD1-CG2 4.29Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 2.86Å; A50-V53 PolarHBondContact O-N 2.66Å; R51-V53 VanDerWaalsContact C-N 3.28Å; R51-V53 PolarHBondContact O-N 3.14Å; V53-E55 VanDerWaalsContact C-N 3.28Å; V53-E55 PolarHBondContact O-N 3.3Å; V53-Q56 VanDerWaalsContact O-CB 3.3Å; V53-Q56 WeakPolarHBondContact O-CB 3.21Å; V53-Q56 PolarHBondContact O-N 3.07Å; V53-L57 HydrophobicContact CG1-CD1 4.06Å; V53-L57 WeakPolarHBondContact O-CD1 3.49Å; V53-L89 HydrophobicContact CB-CD1 4.34Å; V53-L89 HydrophobicContact CG2-CD1 3.83Å; V53-T92 HydrophobicContact CG1-CG2 3.42Å; V53-T92 VanDerWaalsContact CG1-CG2 3.42Å; V53-M93 HydrophobicContact CG1-CG 4.2Å; V53-M93 HydrophobicContact CG2-CG 3.68Å; V53-M93 HydrophobicContact CG2-SD 4.22Å; V53-L102 HydrophobicContact CG2-CD1 3.52Å; V53-W183 HydrophobicContact CB-CH2 4.1Å; V53-W183 HydrophobicContact CB-CZ3 4.32Å; V53-W183 HydrophobicContact CG1-CH2 3.97Å; V53-W183 HydrophobicContact CG1-CZ3 4.02Å
54	W	94.1	Very high	94.3	Very high	42 Å²	42	23 Å²	23	16%	0.159	12%	0.118	C	C	.	.	H	α-helix	trans	-53	-41.3	177.2	-165.7	92	0	0	0	113.2	A50 R51 Q56 L57 C58	A50-W54 WeakPolarHBondContact O-CB 3.3Å; A50-W54 PolarHBondContact O-N 3.19Å; R51-W54 WeakPolarHBondContact O-CA 3.37Å; R51-W54 WeakPolarHBondContact O-CB 3.42Å; R51-W54 PolarHBondContact O-N 3.12Å; R51-W54 VanDerWaalsContact O-N 3.13Å; W54-Q56 PolarHBondContact O-N 2.72Å; W54-L57 PolarHBondContact O-N 2.86Å; W54-C58 HydrophobicContact CE3-CB 4.03Å; W54-C58 HydrophobicContact CH2-CB 3.99Å; W54-C58 HydrophobicContact CZ3-CB 3.7Å; W54-C58 PolarHBondContact O-N 3.25Å
55	E	92	Very high	94.1	Very high	37 Å²	37	24 Å²	24	17%	0.173	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-35.1	175.9	-71.7	176.7	178	0	0	112.9	I14 S24 R27 N28 R51 V53 L57	I14-E55 HydrophobicContact CD1-CB 4.37Å; S24-E55 WeakPolarHBondContact CB-OE2 3.22Å; S24-E55 PolarHBondContact OG-OE2 3Å; R27-E55 IonicContact CZ-OE1 2.81Å; R27-E55 IonicContact NE-OE1 2.66Å; R27-E55 IonicContact NH2-OE1 3.84Å; R27-E55 PolarHBondContact NH2-OE1 3.16Å; R27-E55 IonicContact NH2-OE2 3.76Å; R27-E55 PolarHBondContact NH2-OE2 3.14Å; N28-E55 PolarHBondContact ND2-OE1 3.32Å; N28-E55 PolarHBondContact OD1-OE1 3.02Å; R51-E55 WeakPolarHBondContact O-CG 3.28Å; R51-E55 PolarHBondContact O-N 3.17Å; V53-E55 VanDerWaalsContact C-N 3.28Å; V53-E55 PolarHBondContact O-N 3.3Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 2.99Å
56	Q	88.4	Confident	93.8	Very high	11 Å²	11	28.6 Å²	28.6	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-69.5	-27.5	178	-53.7	-54.9	-47.3	0	0	112.5	L21 V53 W54 V96	L21-Q56 HydrophobicContact CD2-CG 4.45Å; V53-Q56 VanDerWaalsContact O-CB 3.3Å; V53-Q56 WeakPolarHBondContact O-CB 3.21Å; V53-Q56 PolarHBondContact O-N 3.07Å; W54-Q56 PolarHBondContact O-N 2.72Å; Q56-V96 HydrophobicContact CB-CG2 4.24Å
57	L	90.1	Very high	93.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-87.4	-35.6	-178.8	-60.8	124.1	0	0	0	112.3	V53 W54 E55 S59 R60 W61 T92 V96 W183 P226	V53-L57 HydrophobicContact CG1-CD1 4.06Å; V53-L57 WeakPolarHBondContact O-CD1 3.49Å; W54-L57 PolarHBondContact O-N 2.86Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 2.99Å; L57-S59 VanDerWaalsContact C-N 3.29Å; L57-S59 PolarHBondContact O-N 3.43Å; L57-R60 PolarHBondContact O-N 2.94Å; L57-W61 WeakPolarHBondContact O-CB 3.32Å; L57-W61 PolarHBondContact O-N 3.31Å; L57-T92 HydrophobicContact CD1-CG2 3.21Å; L57-T92 HydrophobicContact CD2-CG2 3.5Å; L57-T92 HydrophobicContact CG-CG2 3.82Å; L57-V96 HydrophobicContact CD2-CG1 3.65Å; L57-V96 HydrophobicContact CG-CG1 3.9Å; L57-W183 HydrophobicContact CD1-CZ3 4.44Å; L57-P226 HydrophobicContact CD2-CB 3.51Å; L57-P226 HydrophobicContact CD2-CG 3.5Å
58	C	90.6	Very high	93.4	Very high	39 Å²	39	28.4 Å²	28.4	26%	0.264	14%	0.142	S	C	.	.	H	α-helix	trans	-54.4	-46.5	-172.6	-176.6	0	0	0	0	111.6	W54 W61 V62	W54-C58 HydrophobicContact CE3-CB 4.03Å; W54-C58 HydrophobicContact CH2-CB 3.99Å; W54-C58 HydrophobicContact CZ3-CB 3.7Å; W54-C58 PolarHBondContact O-N 3.25Å; C58-W61 PolarHBondContact O-N 3.48Å; C58-V62 WeakPolarHBondContact O-CG2 3.47Å; C58-V62 PolarHBondContact O-N 3.28Å
59	S	86.5	Confident	93.1	Very high	43 Å²	43	31.1 Å²	31.1	30%	0.301	16%	0.164	S	C	.	.	H	α-helix	trans	-62.3	-44.9	177.6	-174.5	0	0	0	0	112.3	L57 W61 K63	L57-S59 VanDerWaalsContact C-N 3.29Å; L57-S59 PolarHBondContact O-N 3.43Å; S59-W61 VanDerWaalsContact C-N 3.32Å; S59-W61 PolarHBondContact O-N 3.15Å; S59-K63 WeakPolarHBondContact O-CB 3.41Å; S59-K63 VanDerWaalsContact O-CG 3.27Å; S59-K63 WeakPolarHBondContact O-CG 3.46Å; S59-K63 PolarHBondContact O-N 2.9Å
60	R	91.6	Very high	92.7	Very high	23 Å²	23	35.3 Å²	35.3	9%	0.087	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-39.7	177.3	-60.9	-173.7	-169.6	-169.9	7.5	111.9	L57 T64 V96 N230 C233	L57-R60 PolarHBondContact O-N 2.94Å; R60-T64 WeakPolarHBondContact O-CB 3.43Å; R60-T64 PolarHBondContact O-N 3.28Å; R60-T64 PolarHBondContact O-OG1 3.02Å; R60-V96 PolarHBondContact NH2-O 2.97Å; R60-N230 PolarHBondContact NH1-O 3.18Å; R60-C233 HydrophobicContact CB-CB 4.12Å
61	W	95.3	Very high	92.4	Very high	11 Å²	11	41.3 Å²	41.3	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-51.1	179.8	-168.5	32.4	0	0	0	111.4	L57 C58 S59 K63 T64 Q65 K185 E222 P224 C233 T235	L57-W61 WeakPolarHBondContact O-CB 3.32Å; L57-W61 PolarHBondContact O-N 3.31Å; C58-W61 PolarHBondContact O-N 3.48Å; S59-W61 VanDerWaalsContact C-N 3.32Å; S59-W61 PolarHBondContact O-N 3.15Å; W61-K63 VanDerWaalsContact C-N 3.34Å; W61-K63 PolarHBondContact O-N 3.04Å; W61-T64 PolarHBondContact O-N 3.36Å; W61-Q65 VanDerWaalsContact O-CG 3.32Å; W61-Q65 WeakPolarHBondContact O-CG 3.41Å; W61-Q65 PolarHBondContact O-N 2.94Å; W61-K185 HydrophobicContact CH2-CB 4.45Å; W61-K185 HydrophobicContact CZ3-CB 4.46Å; W61-E222 HydrophobicContact CH2-CB 3.59Å; W61-E222 HydrophobicContact CH2-CG 4.41Å; W61-E222 WeakPolarHBondContact CH2-OE2 3.45Å; W61-E222 HydrophobicContact CZ2-CB 3.76Å; W61-E222 HydrophobicContact CZ2-CG 4.41Å; W61-E222 WeakPolarHBondContact CZ2-OE2 3.12Å; W61-P224 HydrophobicContact CD2-CB 4.08Å; W61-P224 HydrophobicContact CE3-CB 4.34Å; W61-P224 HydrophobicContact CG-CB 4.23Å; W61-C233 HydrophobicContact CB-CB 4.13Å; W61-T235 HydrophobicContact CZ2-CG2 4.01Å; W61-T235 PolarHBondContact NE1-OG1 2.87Å
62	V	93.6	Very high	92.2	Very high	85 Å²	85	40.8 Å²	40.8	52%	0.515	22%	0.218	S	C	.	.	H	α-helix	trans	-56.9	-47.8	175.4	173.3	0	0	0	0	111.1	C58 T64 Q65 E66	C58-V62 WeakPolarHBondContact O-CG2 3.47Å; C58-V62 PolarHBondContact O-N 3.28Å; V62-T64 VanDerWaalsContact C-N 3.32Å; V62-T64 PolarHBondContact O-N 2.59Å; V62-Q65 PolarHBondContact O-N 3.25Å; V62-E66 WeakPolarHBondContact O-CB 3.31Å; V62-E66 PolarHBondContact O-N 2.98Å
63	K	92.7	Very high	92.1	Very high	53 Å²	53	41.6 Å²	41.6	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-39.1	178.1	-73.6	176.7	178.9	-173.5	0	113.1	S59 W61 L67 V822 S825	S59-K63 WeakPolarHBondContact O-CB 3.41Å; S59-K63 VanDerWaalsContact O-CG 3.27Å; S59-K63 WeakPolarHBondContact O-CG 3.46Å; S59-K63 PolarHBondContact O-N 2.9Å; W61-K63 VanDerWaalsContact C-N 3.34Å; W61-K63 PolarHBondContact O-N 3.04Å; K63-L67 WeakPolarHBondContact O-CB 3.42Å; K63-L67 PolarHBondContact O-N 2.66Å; K63-V822 HydrophobicContact CB-CG1 4.35Å; K63-S825 PolarHBondContact NZ-OG 3.18Å
64	T	95.4	Very high	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-45.7	177.6	-59.5	0	0	0	0	110.8	R60 W61 V62 L67 Y68 Q231 T232 C233 V822	R60-T64 WeakPolarHBondContact O-CB 3.43Å; R60-T64 PolarHBondContact O-N 3.28Å; R60-T64 PolarHBondContact O-OG1 3.02Å; W61-T64 PolarHBondContact O-N 3.36Å; V62-T64 VanDerWaalsContact C-N 3.32Å; V62-T64 PolarHBondContact O-N 2.59Å; T64-L67 PolarHBondContact O-N 3.31Å; T64-Y68 HydrophobicContact CG2-CD2 4.05Å; T64-Y68 HydrophobicContact CG2-CE1 4.03Å; T64-Y68 HydrophobicContact CG2-CE2 3.42Å; T64-Y68 VanDerWaalsContact CG2-CE2 3.42Å; T64-Y68 VanDerWaalsContact CG2-CZ 3.4Å; T64-Y68 VanDerWaalsContact O-CG 3.31Å; T64-Y68 PolarHBondContact O-N 2.7Å; T64-Q231 PolarHBondContact OG1-O 2.89Å; T64-T232 HydrophobicContact CG2-CG2 4.14Å; T64-C233 WeakPolarHBondContact CB-O 3.38Å; T64-C233 WeakPolarHBondContact CG2-O 3.46Å; T64-C233 PolarHBondContact OG1-N 2.84Å; T64-V822 HydrophobicContact CG2-CG2 4.42Å
65	Q	93.6	Very high	92.3	Very high	46 Å²	46	42.9 Å²	42.9	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-40.5	178.4	-60.8	-58.8	-73.7	0	0	111.9	W61 V62 Y68 A69 Y149	W61-Q65 VanDerWaalsContact O-CG 3.32Å; W61-Q65 WeakPolarHBondContact O-CG 3.41Å; W61-Q65 PolarHBondContact O-N 2.94Å; V62-Q65 PolarHBondContact O-N 3.25Å; Q65-Y68 PolarHBondContact O-N 3.41Å; Q65-A69 WeakPolarHBondContact O-CB 3.25Å; Q65-A69 PolarHBondContact O-N 3.1Å; Q65-Y149 PolarHBondContact OE1-OH 3.02Å
66	E	92.5	Very high	92.6	Very high	122 Å²	122	41.1 Å²	41.1	57%	0.57	22%	0.222	S	C	*	.	H	α-helix	trans	-60.5	-46.6	173.8	-175.6	174.6	-169.9	0	0	110.9	V62 Y68 A69 T70	V62-E66 WeakPolarHBondContact O-CB 3.31Å; V62-E66 PolarHBondContact O-N 2.98Å; E66-Y68 PolarHBondContact O-N 3.38Å; E66-A69 CarbonylContact O-C 3.51Å; E66-A69 PolarHBondContact O-N 3.06Å; E66-A69 VanDerWaalsContact O-N 3.11Å; E66-T70 WeakPolarHBondContact O-CG2 3.35Å; E66-T70 PolarHBondContact O-N 2.91Å; E66-T70 PolarHBondContact O-OG1 2.87Å
67	L	92.8	Very high	93.1	Very high	34 Å²	34	40.8 Å²	40.8	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-42.4	178.5	-173.1	67	0	0	0	112.5	K63 T64 A69 T70 E71 I820 V822	K63-L67 WeakPolarHBondContact O-CB 3.42Å; K63-L67 PolarHBondContact O-N 2.66Å; T64-L67 PolarHBondContact O-N 3.31Å; L67-A69 VanDerWaalsContact C-N 3.27Å; L67-A69 PolarHBondContact O-N 3.37Å; L67-T70 WeakPolarHBondContact CA-OG1 3.38Å; L67-T70 PolarHBondContact O-N 3.45Å; L67-T70 PolarHBondContact O-OG1 3.36Å; L67-T70 VanDerWaalsContact O-OG1 3.07Å; L67-E71 HydrophobicContact CD1-CG 3.59Å; L67-E71 HydrophobicContact CG-CG 4.09Å; L67-E71 WeakPolarHBondContact O-CB 3.37Å; L67-E71 PolarHBondContact O-N 3.47Å; L67-I820 HydrophobicContact CD2-CG2 3.43Å; L67-I820 VanDerWaalsContact CD2-CG2 3.43Å; L67-I820 HydrophobicContact CG-CG2 4.04Å; L67-V822 HydrophobicContact CD2-CB 4.16Å; L67-V822 HydrophobicContact CD2-CG2 3.61Å
68	Y	93.5	Very high	93.5	Very high	12 Å²	12	40.7 Å²	40.7	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-35	175.6	-64.4	-14.4	0	0	0	111.7	T64 Q65 E66 D72 P73 M75 L146 P147 T232 N234	T64-Y68 HydrophobicContact CG2-CD2 4.05Å; T64-Y68 HydrophobicContact CG2-CE1 4.03Å; T64-Y68 HydrophobicContact CG2-CE2 3.42Å; T64-Y68 VanDerWaalsContact CG2-CE2 3.42Å; T64-Y68 VanDerWaalsContact CG2-CZ 3.4Å; T64-Y68 VanDerWaalsContact O-CG 3.31Å; T64-Y68 PolarHBondContact O-N 2.7Å; Q65-Y68 PolarHBondContact O-N 3.41Å; E66-Y68 PolarHBondContact O-N 3.38Å; Y68-D72 PolarHBondContact O-N 3.18Å; Y68-P73 HydrophobicContact CD1-CG 4.13Å; Y68-P73 WeakPolarHBondContact O-CD 3.49Å; Y68-M75 HydrophobicContact CD2-CE 3.68Å; Y68-M75 HydrophobicContact CD2-SD 4.44Å; Y68-M75 HydrophobicContact CE2-CE 4.14Å; Y68-M75 HydrophobicContact CG-CE 4.25Å; Y68-M75 HydrophobicContact CG-SD 4.44Å; Y68-L146 PolarHBondContact OH-O 3.34Å; Y68-P147 HydrophobicContact CD1-CB 4.08Å; Y68-P147 HydrophobicContact CD2-CB 4.42Å; Y68-P147 HydrophobicContact CE1-CB 3.77Å; Y68-P147 HydrophobicContact CE2-CB 4.11Å; Y68-P147 HydrophobicContact CG-CB 4.41Å; Y68-P147 VanDerWaalsContact CZ-CA 3.48Å; Y68-P147 WeakPolarHBondContact OH-CA 3.41Å; Y68-T232 WeakPolarHBondContact OH-CG2 3.07Å; Y68-N234 WeakPolarHBondContact CE2-OD1 3.39Å; Y68-N234 PolarHBondContact OH-OD1 2.81Å
69	A	90.2	Very high	93.9	Very high	57 Å²	57	38.8 Å²	38.8	47%	0.471	21%	0.208	S	C	.	.	H	α-helix	trans	-75.6	-18.5	174.7	0	0	0	0	0	114	Q65 E66 L67 Y310	Q65-A69 WeakPolarHBondContact O-CB 3.25Å; Q65-A69 PolarHBondContact O-N 3.1Å; E66-A69 CarbonylContact O-C 3.51Å; E66-A69 PolarHBondContact O-N 3.06Å; E66-A69 VanDerWaalsContact O-N 3.11Å; L67-A69 VanDerWaalsContact C-N 3.27Å; L67-A69 PolarHBondContact O-N 3.37Å; A69-Y310 PolarHBondContact O-OH 2.94Å
70	T	89.7	Confident	94.4	Very high	88 Å²	88	36.8 Å²	36.8	54%	0.54	19%	0.194	S	C	.	.	H	α-helix	trans	-94.9	-42.9	177.2	56.1	0	0	0	0	112.9	E66 L67	E66-T70 WeakPolarHBondContact O-CG2 3.35Å; E66-T70 PolarHBondContact O-N 2.91Å; E66-T70 PolarHBondContact O-OG1 2.87Å; L67-T70 WeakPolarHBondContact CA-OG1 3.38Å; L67-T70 PolarHBondContact O-N 3.45Å; L67-T70 PolarHBondContact O-OG1 3.36Å; L67-T70 VanDerWaalsContact O-OG1 3.07Å
71	E	90.8	Very high	94.6	Very high	125 Å²	125	35.7 Å²	35.7	58%	0.584	19%	0.19	S	C	*	.	H	α-helix	trans	-85.8	-15.7	-175.9	-63.3	-64.9	146.7	0	0	113.4	L67 I820	L67-E71 HydrophobicContact CD1-CG 3.59Å; L67-E71 HydrophobicContact CG-CG 4.09Å; L67-E71 WeakPolarHBondContact O-CB 3.37Å; L67-E71 PolarHBondContact O-N 3.47Å; E71-I820 HydrophobicContact CB-CD1 4.16Å
72	D	91.3	Very high	94.6	Very high	27 Å²	27	35.7 Å²	35.7	14%	0.144	19%	0.19	C	C	.	.			trans	48.2	52.5	-179.8	-162.2	22.3	0	0	0	116.2	Y68 Y310 Y313 K321	Y68-D72 PolarHBondContact O-N 3.18Å; D72-Y310 HydrophobicContact CB-CE1 4.21Å; D72-Y310 HydrophobicContact CB-CE2 3.66Å; D72-Y310 VanDerWaalsContact CB-CZ 3.44Å; D72-Y310 WeakPolarHBondContact CB-OH 3.48Å; D72-Y310 VanDerWaalsContact CG-CZ 3.4Å; D72-Y310 WeakPolarHBondContact OD1-CE2 3.41Å; D72-Y310 WeakPolarHBondContact OD2-CE2 3.47Å; D72-Y313 WeakPolarHBondContact OD2-CE2 3.49Å; D72-Y313 PolarHBondContact OD2-OH 3.16Å; D72-K321 PolarHBondContact O-NZ 2.99Å; D72-K321 VanDerWaalsContact OD2-CE 3.24Å; D72-K321 WeakPolarHBondContact OD2-CE 3.27Å; D72-K321 IonicContact OD2-NZ 3.87Å; D72-K321 PolarHBondContact OD2-NZ 3.26Å
73	P	94.2	Very high	94.8	Very high	16 Å²	16	31.8 Å²	31.8	10%	0.104	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-65.7	161.1	175.1	28.9	-34.2	0	0	0	112.1	Y68 M75 P147 I820	Y68-P73 HydrophobicContact CD1-CG 4.13Å; Y68-P73 WeakPolarHBondContact O-CD 3.49Å; P73-M75 HydrophobicContact CG-SD 3.86Å; P73-M75 PolarHBondContact O-N 3.45Å; P73-P147 HydrophobicContact CB-CB 4.07Å; P73-P147 HydrophobicContact CB-CG 3.67Å; P73-P147 HydrophobicContact CG-CB 3.68Å; P73-P147 HydrophobicContact CG-CG 3.88Å; P73-I820 HydrophobicContact CB-CD1 3.55Å; P73-I820 HydrophobicContact CG-CD1 3.71Å
74	K	96.3	Very high	95	Very high	41 Å²	41	30.2 Å²	30.2	18%	0.178	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-63.8	121.4	162.1	-173.4	176.3	-174.1	-176.7	0	110.1	P147 P319 N320 K321 W815 V817	K74-P147 WeakPolarHBondContact O-CG 3.2Å; K74-P319 WeakPolarHBondContact CE-O 3.39Å; K74-P319 PolarHBondContact NZ-O 3.19Å; K74-N320 WeakPolarHBondContact CB-O 3.35Å; K74-N320 WeakPolarHBondContact CD-O 3.37Å; K74-N320 WeakPolarHBondContact CG-O 3.4Å; K74-K321 CarbonylContact C-O 3.31Å; K74-K321 VanDerWaalsContact CA-O 3.32Å; K74-K321 WeakPolarHBondContact CA-O 3.37Å; K74-W815 PolarHBondContact NZ-O 2.91Å; K74-V817 HydrophobicContact CB-CG2 4.09Å; K74-V817 HydrophobicContact CD-CG2 3.95Å; K74-V817 HydrophobicContact CG-CG2 3.9Å; K74-V817 WeakPolarHBondContact O-CG1 3.46Å
75	M	97	Very high	95.1	Very high	28 Å²	28	31.4 Å²	31.4	14%	0.138	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.7	-177.6	-60.4	-55.2	-65.5	0	0	112.3	Y68 P73 P147 Y149 K321 V322 V323	Y68-M75 HydrophobicContact CD2-CE 3.68Å; Y68-M75 HydrophobicContact CD2-SD 4.44Å; Y68-M75 HydrophobicContact CE2-CE 4.14Å; Y68-M75 HydrophobicContact CG-CE 4.25Å; Y68-M75 HydrophobicContact CG-SD 4.44Å; P73-M75 HydrophobicContact CG-SD 3.86Å; P73-M75 PolarHBondContact O-N 3.45Å; M75-P147 HydrophobicContact CE-CB 3.85Å; M75-P147 HydrophobicContact SD-CB 3.58Å; M75-P147 VanDerWaalsContact SD-CB 3.58Å; M75-Y149 HydrophobicContact CE-CD2 3.79Å; M75-Y149 HydrophobicContact CE-CE2 3.48Å; M75-Y149 VanDerWaalsContact CE-CE2 3.48Å; M75-K321 PolarHBondContact N-O 3.01Å; M75-V322 WeakPolarHBondContact O-CA 3.27Å; M75-V323 PolarHBondContact O-N 3.04Å
76	V	98.4	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.2	167.9	-177	0	0	0	0	110	M141 P147 A148 Y149 V323 W815 V817	V76-M141 HydrophobicContact CG1-SD 4.2Å; V76-P147 PolarHBondContact N-O 2.9Å; V76-A148 HydrophobicContact CB-CB 3.97Å; V76-A148 CarbonylContact O-C 3.44Å; V76-A148 VanDerWaalsContact O-CA 3.24Å; V76-A148 WeakPolarHBondContact O-CA 3.41Å; V76-Y149 PolarHBondContact O-N 3.15Å; V76-V323 HydrophobicContact CB-CG1 4.26Å; V76-V323 HydrophobicContact CG1-CG1 4.39Å; V76-V323 HydrophobicContact CG2-CG1 3.92Å; V76-W815 HydrophobicContact CG1-CD2 4Å; V76-W815 HydrophobicContact CG1-CE3 4.01Å; V76-W815 HydrophobicContact CG1-CH2 4.21Å; V76-W815 HydrophobicContact CG1-CZ2 4.19Å; V76-W815 HydrophobicContact CG1-CZ3 4.11Å; V76-W815 HydrophobicContact CG2-CB 4.41Å; V76-W815 HydrophobicContact CG2-CD2 4.05Å; V76-W815 HydrophobicContact CG2-CE3 3.74Å; V76-W815 HydrophobicContact CG2-CG 4.34Å; V76-W815 HydrophobicContact CG2-CZ3 4.37Å; V76-V817 HydrophobicContact CG2-CB 4.17Å; V76-V817 HydrophobicContact CG2-CG1 4.22Å; V76-V817 HydrophobicContact CG2-CG2 3.8Å
77	C	98.6	Very high	95.4	Very high	4 Å²	4	24.5 Å²	24.5	3%	0.027	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	102.9	172.7	-61.2	0	0	0	0	109.6	L79 Y151 I302 V323 I324 H325	C77-L79 HydrophobicContact CB-CD1 4.17Å; C77-L79 WeakPolarHBondContact O-CD1 3.28Å; C77-Y151 HydrophobicContact CB-CD2 4.34Å; C77-Y151 HydrophobicContact CB-CE2 4.29Å; C77-I302 HydrophobicContact CB-CD1 3.74Å; C77-V323 PolarHBondContact N-O 3.05Å; C77-I324 HydrophobicContact CB-CG1 4.26Å; C77-I324 WeakPolarHBondContact O-CA 3.28Å; C77-H325 PolarHBondContact O-N 3.42Å
78	F	98.7	Very high	95.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	107.8	-177.4	-164.3	-83	0	0	0	110.7	F83 A134 F137 M141 Y149 Y151 H325 N327 W815	F78-F83 HydrophobicContact CD1-CE1 4.41Å; F78-F83 HydrophobicContact CD1-CZ 4.3Å; F78-A134 HydrophobicContact CD1-CB 4.46Å; F78-A134 HydrophobicContact CE1-CB 3.75Å; F78-F137 AromaticContact CE2-CD2 3.74Å; F78-F137 HydrophobicContact CE2-CD2 3.74Å; F78-F137 HydrophobicContact CE2-CE2 4.35Å; F78-F137 AromaticContact CZ-CD2 3.94Å; F78-F137 HydrophobicContact CZ-CD2 3.94Å; F78-M141 HydrophobicContact CB-CE 4.42Å; F78-Y149 PolarHBondContact N-O 3.39Å; F78-Y151 PolarHBondContact O-N 2.88Å; F78-H325 HydrophobicContact CD2-CB 4.07Å; F78-H325 AromaticContact CD2-CD2 3.67Å; F78-H325 AromaticContact CE2-CD2 3.29Å; F78-H325 WeakPolarHBondContact CE2-CD2 3.26Å; F78-N327 HydrophobicContact CE1-CB 3.65Å; F78-N327 HydrophobicContact CZ-CB 3.74Å; F78-W815 HydrophobicContact CD2-CZ2 4.4Å
79	L	98.7	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.5	-177.6	-81.5	58.2	0	0	0	109.8	C77 Y151 V295 T298 I324 H325 N327 P331 A334	C77-L79 HydrophobicContact CB-CD1 4.17Å; C77-L79 WeakPolarHBondContact O-CD1 3.28Å; L79-Y151 HydrophobicContact CD1-CD2 4.37Å; L79-V295 HydrophobicContact CD2-CG1 4.43Å; L79-T298 HydrophobicContact CD1-CG2 3.84Å; L79-T298 HydrophobicContact CD2-CG2 4.2Å; L79-T298 HydrophobicContact CG-CG2 4.07Å; L79-I324 HydrophobicContact CD1-CG2 3.64Å; L79-I324 HydrophobicContact CD2-CG2 3.86Å; L79-I324 HydrophobicContact CG-CG2 4.33Å; L79-H325 PolarHBondContact N-O 3.35Å; L79-N327 VanDerWaalsContact O-CB 3.23Å; L79-N327 WeakPolarHBondContact O-CB 3.5Å; L79-N327 PolarHBondContact O-N 3.35Å; L79-P331 HydrophobicContact CB-CB 3.86Å; L79-P331 HydrophobicContact CB-CG 4Å; L79-P331 HydrophobicContact CD2-CB 4.15Å; L79-A334 HydrophobicContact CD2-CB 4.33Å
80	S	98.1	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.			trans	-145.2	139	177.6	-172.8	0	0	0	0	110.7	E82 Y151 G152 N327	S80-E82 WeakPolarHBondContact CB-O 3.48Å; S80-E82 PolarHBondContact O-N 2.94Å; S80-E82 PolarHBondContact OG-N 2.86Å; S80-E82 PolarHBondContact OG-O 3.17Å; S80-Y151 PolarHBondContact N-O 3.18Å; S80-Y151 VanDerWaalsContact N-O 3.1Å; S80-G152 WeakPolarHBondContact O-CA 3.45Å; S80-N327 PolarHBondContact OG-ND2 3Å; S80-N327 VanDerWaalsContact OG-ND2 3.15Å
81	M	96.3	Very high	96.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.096	C	C	.	.	S	Bend	trans	-70.1	-17.7	171	-78.6	-61.7	-77.1	0	0	112.9	I153 Y155 Q290 E291 L294 H330	M81-I153 HydrophobicContact CE-CD1 3.97Å; M81-I153 HydrophobicContact SD-CD1 3.92Å; M81-Y155 WeakPolarHBondContact CE-OH 3.46Å; M81-Y155 VanDerWaalsContact O-CE2 3.22Å; M81-Y155 WeakPolarHBondContact O-CE2 3.36Å; M81-Y155 PolarHBondContact O-OH 3.44Å; M81-Q290 HydrophobicContact CE-CB 3.71Å; M81-E291 HydrophobicContact CE-CG 4.16Å; M81-E291 HydrophobicContact CG-CG 4.35Å; M81-E291 HydrophobicContact SD-CG 4.09Å; M81-L294 HydrophobicContact CG-CD2 4.36Å; M81-L294 HydrophobicContact SD-CB 4.43Å; M81-L294 HydrophobicContact SD-CD2 3.73Å; M81-H330 HydrophobicContact CB-CB 4.16Å; M81-H330 HydrophobicContact CG-CB 3.3Å
82	E	95.3	Very high	96.7	Very high	11 Å²	11	14.3 Å²	14.3	5%	0.051	7%	0.069	C	C	.	.			trans	-132	141.2	-178.9	-62.6	-174.8	-116.4	0	0	112.1	S80 L125 N127 G128 G131 L274 Y275	S80-E82 WeakPolarHBondContact CB-O 3.48Å; S80-E82 PolarHBondContact O-N 2.94Å; S80-E82 PolarHBondContact OG-N 2.86Å; S80-E82 PolarHBondContact OG-O 3.17Å; E82-L125 CarbonylContact C-O 3.6Å; E82-L125 VanDerWaalsContact CA-O 3.31Å; E82-L125 WeakPolarHBondContact CA-O 3.42Å; E82-N127 PolarHBondContact OE2-N 3.24Å; E82-G128 PolarHBondContact OE2-N 3.32Å; E82-G128 VanDerWaalsContact OE2-N 3.15Å; E82-G131 VanDerWaalsContact CB-CA 3.5Å; E82-G131 WeakPolarHBondContact O-CA 3.48Å; E82-L274 HydrophobicContact CG-CD1 3.8Å; E82-L274 HydrophobicContact CG-CD2 3.9Å; E82-L274 HydrophobicContact CG-CG 4.45Å; E82-Y275 HydrophobicContact CG-CE2 3.91Å; E82-Y275 WeakPolarHBondContact OE1-CE2 3.37Å; E82-Y275 PolarHBondContact OE1-OH 3.34Å
83	F	97.5	Very high	96.9	Very high	2 Å²	2	13 Å²	13	1%	0.009	6%	0.062	C	C	.	.			trans	-135.2	99.8	164	-72.3	-86	0	0	0	109	F78 M85 L125 A134 L138 Y151 L236	F78-F83 HydrophobicContact CD1-CE1 4.41Å; F78-F83 HydrophobicContact CD1-CZ 4.3Å; F83-M85 VanDerWaalsContact C-N 3.26Å; F83-M85 HydrophobicContact CB-CG 4.13Å; F83-M85 HydrophobicContact CB-SD 4Å; F83-M85 PolarHBondContact O-N 3.25Å; F83-L125 PolarHBondContact N-O 3.3Å; F83-L125 CarbonylContact O-C 3.22Å; F83-L125 VanDerWaalsContact O-C 3.29Å; F83-L125 WeakPolarHBondContact O-CB 3.3Å; F83-A134 HydrophobicContact CD1-CB 3.7Å; F83-A134 HydrophobicContact CE1-CB 3.67Å; F83-A134 HydrophobicContact CZ-CB 4.45Å; F83-L138 HydrophobicContact CD1-CD1 3.48Å; F83-L138 VanDerWaalsContact CD1-CD1 3.48Å; F83-L138 HydrophobicContact CD1-CG 4.24Å; F83-L138 HydrophobicContact CE1-CD1 3.46Å; F83-L138 VanDerWaalsContact CE1-CD1 3.46Å; F83-L138 HydrophobicContact CE1-CD2 4.28Å; F83-L138 HydrophobicContact CE1-CG 3.88Å; F83-L138 HydrophobicContact CZ-CD1 4.5Å; F83-Y151 WeakPolarHBondContact CE2-O 3.37Å; F83-L236 HydrophobicContact CB-CD2 4.2Å; F83-L236 HydrophobicContact CD1-CD1 4.11Å; F83-L236 HydrophobicContact CD1-CD2 4.44Å; F83-L236 HydrophobicContact CD2-CD1 3.75Å; F83-L236 HydrophobicContact CE1-CD1 4.05Å; F83-L236 HydrophobicContact CE2-CD1 3.69Å; F83-L236 HydrophobicContact CG-CD1 3.96Å; F83-L236 HydrophobicContact CG-CD2 4.16Å; F83-L236 HydrophobicContact CZ-CD1 3.84Å
84	F	96.1	Very high	96.9	Very high	21 Å²	21	13.3 Å²	13.3	9%	0.092	6%	0.063	C	C	.	.			trans	-84.9	70.3	-176.6	-157.2	178.8	0	0	0	110.6	G86 N127 G131 R132 R639 V640	F84-G86 PolarHBondContact O-N 3.05Å; F84-N127 VanDerWaalsContact CE1-O 3.24Å; F84-N127 WeakPolarHBondContact CE1-O 3.15Å; F84-G131 VanDerWaalsContact N-C 3.28Å; F84-G131 PolarHBondContact N-O 3.27Å; F84-R132 HydrophobicContact CB-CB 4.16Å; F84-R132 VanDerWaalsContact O-CD 3.25Å; F84-R132 WeakPolarHBondContact O-CD 3.34Å; F84-R132 PolarHBondContact O-NH1 2.95Å; F84-R639 HydrophobicContact CE2-CB 4.5Å; F84-R639 HydrophobicContact CZ-CB 4.17Å; F84-V640 HydrophobicContact CD1-CG2 4.15Å; F84-V640 HydrophobicContact CD2-CG2 3.63Å; F84-V640 HydrophobicContact CE1-CG2 4.3Å; F84-V640 HydrophobicContact CE2-CG2 3.81Å; F84-V640 HydrophobicContact CG-CG2 3.84Å; F84-V640 HydrophobicContact CZ-CG2 4.16Å
85	M	97.5	Very high	96.9	Very high	24 Å²	24	11.3 Å²	11.3	12%	0.118	5%	0.054	C	C	.	.			trans	-65.6	-38.1	-167.4	-60.9	-57.4	-74.5	0	0	113.4	F83 A123 R132 A135 L138 I225 L236	F83-M85 VanDerWaalsContact C-N 3.26Å; F83-M85 HydrophobicContact CB-CG 4.13Å; F83-M85 HydrophobicContact CB-SD 4Å; F83-M85 PolarHBondContact O-N 3.25Å; M85-A123 HydrophobicContact CB-CB 4.27Å; M85-R132 PolarHBondContact O-NH1 3.2Å; M85-A135 HydrophobicContact SD-CB 3.56Å; M85-A135 VanDerWaalsContact SD-CB 3.56Å; M85-L138 HydrophobicContact CE-CD1 4.48Å; M85-L138 HydrophobicContact SD-CD1 4.34Å; M85-I225 HydrophobicContact CE-CD1 3.6Å; M85-L236 HydrophobicContact CE-CD2 4.24Å; M85-L236 HydrophobicContact CG-CD2 4.23Å; M85-L236 HydrophobicContact SD-CD2 4.03Å
86	G	96.3	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	76	-153.7	-168.9	0	0	0	0	0	111.7	F84 A123	F84-G86 PolarHBondContact O-N 3.05Å; G86-A123 PolarHBondContact O-N 3.03Å
87	R	97.1	Very high	96.3	Very high	23 Å²	23	13.8 Å²	13.8	9%	0.087	7%	0.068	C	C	.	.			trans	-74.3	143	171.8	-70.8	-178.9	179.7	158.2	-7.8	111.1	E118 E120 R479	R87-E118 IonicContact CZ-OE1 3.1Å; R87-E118 IonicContact CZ-OE2 3.54Å; R87-E118 VanDerWaalsContact NH1-CD 3.26Å; R87-E118 IonicContact NH1-OE1 2.66Å; R87-E118 PolarHBondContact NH1-OE1 3.08Å; R87-E118 IonicContact NH1-OE2 2.81Å; R87-E118 PolarHBondContact NH1-OE2 3.46Å; R87-E118 PolarHBondContact NH2-O 2.88Å; R87-E118 IonicContact NH2-OE1 2.88Å; R87-E118 IonicContact NH2-OE2 3.02Å; R87-E118 PolarHBondContact NH2-OE2 2.7Å; R87-E120 HydrophobicContact CB-CG 4.17Å; R87-E120 WeakPolarHBondContact CB-OE2 3.44Å; R87-E120 HydrophobicContact CG-CB 4.09Å; R87-E120 HydrophobicContact CG-CG 3.92Å; R87-E120 PolarHBondContact NE-O 2.69Å; R87-R479 PolarHBondContact O-NH1 2.84Å; R87-R479 PolarHBondContact O-NH2 3.07Å
88	T	97.4	Very high	96.1	Very high	20 Å²	20	13.7 Å²	13.7	12%	0.123	7%	0.067	C	C	.	.			trans	-102.7	-32.4	-172.3	-59.8	0	0	0	0	112.2	K90 N91 T92 E120 W183	T88-K90 PolarHBondContact O-N 3.29Å; T88-N91 PolarHBondContact O-N 3.35Å; T88-T92 VanDerWaalsContact CG2-OG1 3.26Å; T88-T92 WeakPolarHBondContact CG2-OG1 3.44Å; T88-T92 VanDerWaalsContact O-CB 3.23Å; T88-T92 WeakPolarHBondContact O-CB 2.89Å; T88-T92 PolarHBondContact O-N 3.47Å; T88-T92 PolarHBondContact O-OG1 3.14Å; T88-E120 WeakPolarHBondContact CB-OE1 3.48Å; T88-E120 PolarHBondContact N-OE1 3.45Å; T88-E120 PolarHBondContact N-OE2 3.45Å; T88-E120 VanDerWaalsContact N-OE2 3.12Å; T88-W183 HydrophobicContact CG2-CB 4.47Å; T88-W183 HydrophobicContact CG2-CD2 3.6Å; T88-W183 HydrophobicContact CG2-CE3 3.93Å; T88-W183 HydrophobicContact CG2-CG 3.83Å; T88-W183 HydrophobicContact CG2-CZ2 4.42Å; T88-W183 HydrophobicContact CG2-CZ3 4.47Å
89	L	97.5	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-53.1	-62	-171.6	-178.9	57	0	0	0	112.6	Y46 L49 V53 N91 T92 M93 E117 E120 W183	Y46-L89 HydrophobicContact CD2-CD2 4.11Å; Y46-L89 HydrophobicContact CE2-CD2 4.13Å; L49-L89 HydrophobicContact CD2-CD1 4.45Å; L49-L89 HydrophobicContact CD2-CD2 3.9Å; L49-L89 HydrophobicContact CG-CD1 4.16Å; L49-L89 HydrophobicContact CG-CD2 4.39Å; V53-L89 HydrophobicContact CB-CD1 4.34Å; V53-L89 HydrophobicContact CG2-CD1 3.83Å; L89-N91 PolarHBondContact O-N 3.35Å; L89-T92 WeakPolarHBondContact O-CB 3.42Å; L89-T92 PolarHBondContact O-N 3.5Å; L89-T92 VanDerWaalsContact O-N 3.08Å; L89-M93 HydrophobicContact CD1-CE 4.46Å; L89-M93 HydrophobicContact CD1-CG 4.19Å; L89-M93 HydrophobicContact CD1-SD 4.09Å; L89-M93 HydrophobicContact CG-CE 4.02Å; L89-M93 HydrophobicContact CG-SD 4.28Å; L89-M93 WeakPolarHBondContact O-CG 3.42Å; L89-M93 PolarHBondContact O-N 3.37Å; L89-E117 HydrophobicContact CD2-CG 4.14Å; L89-E120 WeakPolarHBondContact CB-OE2 3.4Å; L89-E120 PolarHBondContact N-OE1 2.99Å; L89-E120 PolarHBondContact N-OE2 3.3Å; L89-W183 VanDerWaalsContact CA-CZ2 3.48Å; L89-W183 HydrophobicContact CB-CH2 4.32Å; L89-W183 HydrophobicContact CB-CZ2 3.75Å; L89-W183 HydrophobicContact CD1-CH2 3.75Å; L89-W183 HydrophobicContact CD1-CZ2 3.88Å; L89-W183 HydrophobicContact CG-CZ2 4.41Å
90	K	95.6	Very high	95.5	Very high	64 Å²	64	23.9 Å²	23.9	28%	0.278	12%	0.119	S	C	.	.	H	α-helix	trans	-59.7	-44	-175.8	-166.4	167.1	-165.4	136.9	0	113.6	T88 T92 M93 L94 E117 V483	T88-K90 PolarHBondContact O-N 3.29Å; K90-T92 VanDerWaalsContact C-N 3.26Å; K90-T92 PolarHBondContact O-N 3.2Å; K90-M93 HydrophobicContact CB-CE 4.46Å; K90-M93 PolarHBondContact O-N 3.34Å; K90-L94 WeakPolarHBondContact O-CB 3.42Å; K90-L94 PolarHBondContact O-N 3.43Å; K90-L94 VanDerWaalsContact O-N 3.08Å; K90-E117 WeakPolarHBondContact CD-OE1 3.29Å; K90-E117 WeakPolarHBondContact CD-OE2 3.36Å; K90-E117 WeakPolarHBondContact CG-OE1 3.46Å; K90-E117 IonicContact NZ-OE1 3.97Å; K90-E117 IonicContact NZ-OE2 3.92Å; K90-E117 PolarHBondContact NZ-OE2 3.03Å; K90-V483 HydrophobicContact CB-CG1 4.35Å; K90-V483 HydrophobicContact CD-CG1 3.73Å; K90-V483 HydrophobicContact CG-CG1 3.87Å; K90-V483 HydrophobicContact CG-CG2 4.47Å
91	N	96.5	Very high	95.3	Very high	16 Å²	16	24.8 Å²	24.8	9%	0.086	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-37.6	177.2	-171.8	96	0	0	0	111.7	T88 L89 N95 R479	T88-N91 PolarHBondContact O-N 3.35Å; L89-N91 PolarHBondContact O-N 3.35Å; N91-N95 PolarHBondContact ND2-ND2 3.47Å; N91-N95 WeakPolarHBondContact O-CB 3.43Å; N91-N95 VanDerWaalsContact O-CG 3.32Å; N91-N95 PolarHBondContact O-N 3.44Å; N91-R479 PolarHBondContact OD1-NE 3.31Å; N91-R479 PolarHBondContact OD1-NH2 3.02Å
92	T	96.7	Very high	95.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-71.9	-47	-178.8	-59.7	0	0	0	0	111.1	V53 L57 T88 L89 K90 L94 N95 V96 W183 P226	V53-T92 HydrophobicContact CG1-CG2 3.42Å; V53-T92 VanDerWaalsContact CG1-CG2 3.42Å; L57-T92 HydrophobicContact CD1-CG2 3.21Å; L57-T92 HydrophobicContact CD2-CG2 3.5Å; L57-T92 HydrophobicContact CG-CG2 3.82Å; T88-T92 VanDerWaalsContact CG2-OG1 3.26Å; T88-T92 WeakPolarHBondContact CG2-OG1 3.44Å; T88-T92 VanDerWaalsContact O-CB 3.23Å; T88-T92 WeakPolarHBondContact O-CB 2.89Å; T88-T92 PolarHBondContact O-N 3.47Å; T88-T92 PolarHBondContact O-OG1 3.14Å; L89-T92 WeakPolarHBondContact O-CB 3.42Å; L89-T92 PolarHBondContact O-N 3.5Å; L89-T92 VanDerWaalsContact O-N 3.08Å; K90-T92 VanDerWaalsContact C-N 3.26Å; K90-T92 PolarHBondContact O-N 3.2Å; T92-L94 VanDerWaalsContact C-N 3.25Å; T92-L94 PolarHBondContact O-N 3.04Å; T92-N95 PolarHBondContact O-N 2.75Å; T92-V96 VanDerWaalsContact O-CG2 3.29Å; T92-V96 WeakPolarHBondContact O-CG2 3.45Å; T92-V96 PolarHBondContact O-N 2.93Å; T92-W183 HydrophobicContact CG2-CZ3 4.17Å; T92-P226 HydrophobicContact CG2-CG 4.3Å
93	M	95.3	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-54.3	-43.9	173.9	-66.6	-171.3	-59.9	0	0	111.5	V53 L89 K90 D97 A98 T99 L102 I113 E117	V53-M93 HydrophobicContact CG1-CG 4.2Å; V53-M93 HydrophobicContact CG2-CG 3.68Å; V53-M93 HydrophobicContact CG2-SD 4.22Å; L89-M93 HydrophobicContact CD1-CE 4.46Å; L89-M93 HydrophobicContact CD1-CG 4.19Å; L89-M93 HydrophobicContact CD1-SD 4.09Å; L89-M93 HydrophobicContact CG-CE 4.02Å; L89-M93 HydrophobicContact CG-SD 4.28Å; L89-M93 WeakPolarHBondContact O-CG 3.42Å; L89-M93 PolarHBondContact O-N 3.37Å; K90-M93 HydrophobicContact CB-CE 4.46Å; K90-M93 PolarHBondContact O-N 3.34Å; M93-D97 PolarHBondContact O-N 3.36Å; M93-A98 PolarHBondContact O-N 3.34Å; M93-T99 VanDerWaalsContact C-OG1 3.26Å; M93-T99 PolarHBondContact O-OG1 2.72Å; M93-L102 HydrophobicContact CB-CD1 4.31Å; M93-L102 HydrophobicContact CG-CD1 3.6Å; M93-L102 HydrophobicContact SD-CB 4.28Å; M93-L102 HydrophobicContact SD-CD1 3.57Å; M93-L102 VanDerWaalsContact SD-CD1 3.57Å; M93-I113 HydrophobicContact CE-CD1 3.99Å; M93-I113 HydrophobicContact CE-CG1 4.4Å; M93-I113 HydrophobicContact SD-CD1 3.89Å; M93-E117 HydrophobicContact CE-CG 4.49Å; M93-E117 WeakPolarHBondContact CE-OE1 3.39Å
94	L	94.6	Very high	95.1	Very high	22 Å²	22	33 Å²	33	12%	0.115	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-50.7	176.7	179.1	69.8	0	0	0	111.9	K90 T92 V96 D97 T99 Y228 R478 L482 V483	K90-L94 WeakPolarHBondContact O-CB 3.42Å; K90-L94 PolarHBondContact O-N 3.43Å; K90-L94 VanDerWaalsContact O-N 3.08Å; T92-L94 VanDerWaalsContact C-N 3.25Å; T92-L94 PolarHBondContact O-N 3.04Å; L94-V96 VanDerWaalsContact C-N 3.3Å; L94-V96 PolarHBondContact O-N 2.92Å; L94-D97 PolarHBondContact O-N 2.65Å; L94-T99 WeakPolarHBondContact CA-OG1 3.3Å; L94-T99 PolarHBondContact N-OG1 2.91Å; L94-Y228 HydrophobicContact CD1-CE2 4.14Å; L94-Y228 HydrophobicContact CD2-CE2 4.43Å; L94-Y228 HydrophobicContact CG-CD2 4.28Å; L94-Y228 HydrophobicContact CG-CE2 4.01Å; L94-R478 HydrophobicContact CD2-CB 4.16Å; L94-L482 HydrophobicContact CD1-CB 4.44Å; L94-L482 HydrophobicContact CD1-CD2 4.24Å; L94-L482 HydrophobicContact CD2-CB 3.63Å; L94-L482 HydrophobicContact CD2-CD2 4.03Å; L94-V483 HydrophobicContact CD2-CG2 3.65Å
95	N	95.1	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.1	-31.4	-174.4	-75.9	-4.5	0	0	0	112.1	N91 T92 D97 D139 P226 R229	N91-N95 PolarHBondContact ND2-ND2 3.47Å; N91-N95 WeakPolarHBondContact O-CB 3.43Å; N91-N95 VanDerWaalsContact O-CG 3.32Å; N91-N95 PolarHBondContact O-N 3.44Å; T92-N95 PolarHBondContact O-N 2.75Å; N95-D97 VanDerWaalsContact C-N 3.33Å; N95-D139 PolarHBondContact ND2-OD2 3.38Å; N95-P226 HydrophobicContact CB-CB 3.9Å; N95-P226 HydrophobicContact CB-CG 3.87Å; N95-P226 PolarHBondContact ND2-O 3.47Å; N95-R229 PolarHBondContact O-N 3.32Å
96	V	92.9	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.7	175.7	-53	0	0	0	0	115.1	Q16 Q56 L57 R60 T92 L94 A98 P226	Q16-V96 PolarHBondContact NE2-O 2.72Å; Q56-V96 HydrophobicContact CB-CG2 4.24Å; L57-V96 HydrophobicContact CD2-CG1 3.65Å; L57-V96 HydrophobicContact CG-CG1 3.9Å; R60-V96 PolarHBondContact NH2-O 2.97Å; T92-V96 VanDerWaalsContact O-CG2 3.29Å; T92-V96 WeakPolarHBondContact O-CG2 3.45Å; T92-V96 PolarHBondContact O-N 2.93Å; L94-V96 VanDerWaalsContact C-N 3.3Å; L94-V96 PolarHBondContact O-N 2.92Å; V96-A98 HydrophobicContact CG2-CB 3.79Å; V96-P226 HydrophobicContact CG1-CB 4.21Å
97	D	91.6	Very high	95	Very high	80 Å²	80	39.8 Å²	39.8	43%	0.428	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	40.4	179.8	-151.8	32.3	0	0	0	114.1	M93 L94 N95 R229	M93-D97 PolarHBondContact O-N 3.36Å; L94-D97 PolarHBondContact O-N 2.65Å; N95-D97 VanDerWaalsContact C-N 3.33Å; D97-R229 HydrophobicContact CB-CG 4.15Å; D97-R229 VanDerWaalsContact CG-NE 3.29Å; D97-R229 IonicContact OD1-CZ 3.28Å; D97-R229 IonicContact OD1-NE 3.64Å; D97-R229 PolarHBondContact OD1-NE 3.1Å; D97-R229 IonicContact OD1-NH2 3.17Å; D97-R229 PolarHBondContact OD1-NH2 2.93Å; D97-R229 IonicContact OD2-NE 2.71Å; D97-R229 IonicContact OD2-NH2 3.73Å
98	A	92.6	Very high	94.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	21%	0.207	C	C	.	.			trans	-114.7	1.2	-178.6	0	0	0	0	0	113.8	M93 V96 A101 L102	M93-A98 PolarHBondContact O-N 3.34Å; V96-A98 HydrophobicContact CG2-CB 3.79Å; A98-A101 PolarHBondContact O-N 2.97Å; A98-L102 HydrophobicContact CB-CD1 3.76Å; A98-L102 HydrophobicContact CB-CG 4.23Å; A98-L102 VanDerWaalsContact O-CB 3.27Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 WeakPolarHBondContact O-CD1 3.31Å; A98-L102 VanDerWaalsContact O-CG 3.24Å; A98-L102 WeakPolarHBondContact O-CG 3.47Å; A98-L102 PolarHBondContact O-N 2.7Å
99	T	92.5	Very high	94.8	Very high	53 Å²	53	42.9 Å²	42.9	33%	0.325	21%	0.207	S	C	.	.	H	α-helix	trans	-56.2	-55.4	-173.3	-58.3	0	0	0	0	113	M93 L94 A101 L102 D103	M93-T99 VanDerWaalsContact C-OG1 3.26Å; M93-T99 PolarHBondContact O-OG1 2.72Å; L94-T99 WeakPolarHBondContact CA-OG1 3.3Å; L94-T99 PolarHBondContact N-OG1 2.91Å; T99-A101 PolarHBondContact O-N 3.22Å; T99-L102 PolarHBondContact O-N 3.38Å; T99-D103 WeakPolarHBondContact O-CB 3.39Å; T99-D103 PolarHBondContact O-N 3.4Å
100	E	92	Very high	94.7	Very high	161 Å²	161	46.3 Å²	46.3	75%	0.752	24%	0.242	S	C	*	.	H	α-helix	trans	-64	-44	-176.8	-66.3	173.8	-170	0	0	111.9	L102 D103 E104	E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.3Å; E100-D103 PolarHBondContact O-N 3.22Å; E100-E104 PolarHBondContact O-N 3.38Å
101	A	94.5	Very high	94.7	Very high	19 Å²	19	44.3 Å²	44.3	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-32.7	-179.7	0	0	0	0	0	112.8	Q16 L21 A98 T99 A105	Q16-A101 WeakPolarHBondContact O-CB 3.36Å; L21-A101 HydrophobicContact CD1-CB 3.56Å; A98-A101 PolarHBondContact O-N 2.97Å; T99-A101 PolarHBondContact O-N 3.22Å; A101-A105 VanDerWaalsContact O-CB 3.23Å; A101-A105 WeakPolarHBondContact O-CB 3.31Å; A101-A105 PolarHBondContact O-N 2.68Å
102	L	95.2	Very high	94.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-74.2	-40	174.3	-75.5	167.2	0	0	0	112	L21 L49 T52 V53 M93 A98 T99 E100 A105 M106 I113	L21-L102 HydrophobicContact CB-CD2 4.03Å; L21-L102 HydrophobicContact CD1-CD2 4.01Å; L21-L102 HydrophobicContact CD1-CG 3.99Å; L21-L102 HydrophobicContact CD2-CD2 4.1Å; L21-L102 HydrophobicContact CG-CD2 4.27Å; L49-L102 HydrophobicContact CD1-CD2 3.9Å; T52-L102 HydrophobicContact CG2-CD2 4.02Å; V53-L102 HydrophobicContact CG2-CD1 3.52Å; M93-L102 HydrophobicContact CB-CD1 4.31Å; M93-L102 HydrophobicContact CG-CD1 3.6Å; M93-L102 HydrophobicContact SD-CB 4.28Å; M93-L102 HydrophobicContact SD-CD1 3.57Å; M93-L102 VanDerWaalsContact SD-CD1 3.57Å; A98-L102 HydrophobicContact CB-CD1 3.76Å; A98-L102 HydrophobicContact CB-CG 4.23Å; A98-L102 VanDerWaalsContact O-CB 3.27Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 WeakPolarHBondContact O-CD1 3.31Å; A98-L102 VanDerWaalsContact O-CG 3.24Å; A98-L102 WeakPolarHBondContact O-CG 3.47Å; A98-L102 PolarHBondContact O-N 2.7Å; T99-L102 PolarHBondContact O-N 3.38Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.3Å; L102-A105 PolarHBondContact O-N 3Å; L102-M106 WeakPolarHBondContact O-CB 3.48Å; L102-M106 VanDerWaalsContact O-CG 3.29Å; L102-M106 WeakPolarHBondContact O-CG 3.47Å; L102-M106 PolarHBondContact O-N 3.08Å; L102-I113 HydrophobicContact CB-CD1 4.19Å
103	D	94.1	Very high	94.6	Very high	80 Å²	80	47.7 Å²	47.7	43%	0.428	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-49.8	175.1	-172.8	28.7	0	0	0	110.5	T99 E100 A105 M106 Y107 I113	T99-D103 WeakPolarHBondContact O-CB 3.39Å; T99-D103 PolarHBondContact O-N 3.4Å; E100-D103 PolarHBondContact O-N 3.22Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.12Å; D103-M106 PolarHBondContact O-N 3.03Å; D103-Y107 WeakPolarHBondContact O-CB 3.3Å; D103-Y107 PolarHBondContact O-N 2.91Å; D103-I113 HydrophobicContact CB-CD1 4.45Å; D103-I113 HydrophobicContact CB-CG2 4.48Å; D103-I113 VanDerWaalsContact OD1-CG2 3.26Å; D103-I113 WeakPolarHBondContact OD1-CG2 3.42Å
104	E	95.8	Very high	94.4	Very high	105 Å²	105	53 Å²	53	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-44.3	173.8	-169.9	-169	160.2	0	0	111.9	A18 E100 M106 Y107 Q108	A18-E104 HydrophobicContact CB-CB 4.17Å; A18-E104 HydrophobicContact CB-CG 4.16Å; E100-E104 PolarHBondContact O-N 3.38Å; E104-M106 PolarHBondContact O-N 2.88Å; E104-Y107 PolarHBondContact O-N 3.13Å; E104-Q108 VanDerWaalsContact O-CG 3.27Å; E104-Q108 WeakPolarHBondContact O-CG 3.43Å; E104-Q108 PolarHBondContact O-N 3.25Å; E104-Q108 PolarHBondContact OE1-NE2 3.01Å
105	A	95.8	Very high	94.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-42.7	179.1	0	0	0	0	0	112.3	A18 L21 R22 A101 L102 D103 L109	A18-A105 HydrophobicContact CB-CB 4.37Å; L21-A105 HydrophobicContact CB-CB 4.41Å; R22-A105 HydrophobicContact CB-CB 4.22Å; A101-A105 VanDerWaalsContact O-CB 3.23Å; A101-A105 WeakPolarHBondContact O-CB 3.31Å; A101-A105 PolarHBondContact O-N 2.68Å; L102-A105 PolarHBondContact O-N 3Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.12Å; A105-L109 VanDerWaalsContact O-CG 3.25Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.32Å
106	M	96.8	Very high	94.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-42.1	178.4	-67.9	-51.8	94.1	0	0	110.8	F25 L49 L102 D103 E104 Q108 L109 G110 L111 I113 L116	F25-M106 HydrophobicContact CB-CE 4.07Å; F25-M106 HydrophobicContact CD1-CE 4.38Å; F25-M106 HydrophobicContact CD2-CE 3.57Å; F25-M106 HydrophobicContact CD2-SD 3.79Å; F25-M106 HydrophobicContact CE2-CE 4.04Å; F25-M106 HydrophobicContact CE2-SD 3.62Å; F25-M106 HydrophobicContact CG-CE 3.75Å; F25-M106 HydrophobicContact CG-SD 4.42Å; F25-M106 HydrophobicContact CZ-SD 4.13Å; L49-M106 HydrophobicContact CD1-CE 4.37Å; L49-M106 HydrophobicContact CD1-CG 4.39Å; L49-M106 HydrophobicContact CD1-SD 4.1Å; L49-M106 HydrophobicContact CD2-CG 4.45Å; L49-M106 HydrophobicContact CD2-SD 4.47Å; L102-M106 WeakPolarHBondContact O-CB 3.48Å; L102-M106 VanDerWaalsContact O-CG 3.29Å; L102-M106 WeakPolarHBondContact O-CG 3.47Å; L102-M106 PolarHBondContact O-N 3.08Å; D103-M106 PolarHBondContact O-N 3.03Å; E104-M106 PolarHBondContact O-N 2.88Å; M106-Q108 PolarHBondContact O-N 2.85Å; M106-L109 HydrophobicContact CE-CD1 3.68Å; M106-L109 CarbonylContact O-C 3.51Å; M106-L109 WeakPolarHBondContact O-CA 3.47Å; M106-L109 WeakPolarHBondContact O-CB 3.23Å; M106-L109 PolarHBondContact O-N 3.19Å; M106-L109 HydrophobicContact SD-CD1 4.4Å; M106-G110 PolarHBondContact O-N 3.11Å; M106-L111 CarbonylContact C-O 3.59Å; M106-L111 HydrophobicContact CB-CB 4.27Å; M106-L111 PolarHBondContact O-N 3.17Å; M106-L111 HydrophobicContact SD-CD1 4.22Å; M106-I113 HydrophobicContact CB-CB 4.45Å; M106-I113 HydrophobicContact CG-CB 4.47Å; M106-I113 HydrophobicContact CG-CD1 4.29Å; M106-I113 HydrophobicContact CG-CG1 4.45Å; M106-L116 HydrophobicContact CG-CD1 4.33Å; M106-L116 HydrophobicContact SD-CD1 4.04Å
107	Y	95.9	Very high	94.4	Very high	188 Å²	188	58 Å²	58	74%	0.737	30%	0.299	S	S	*	.	H	α-helix	trans	-58.1	-45.5	175.1	179.7	-100.1	0	0	0	112.1	D103 E104 L109 G110 L111	D103-Y107 WeakPolarHBondContact O-CB 3.3Å; D103-Y107 PolarHBondContact O-N 2.91Å; E104-Y107 PolarHBondContact O-N 3.13Å; Y107-L109 PolarHBondContact O-N 2.84Å; Y107-L109 VanDerWaalsContact O-N 3.16Å; Y107-G110 PolarHBondContact O-N 3.24Å; Y107-L111 PolarHBondContact N-O 3.31Å
108	Q	95.5	Very high	94.5	Very high	86 Å²	86	56.1 Å²	56.1	40%	0.402	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-20.3	175.3	-71.5	177.1	14	0	0	113.7	E104 M106	E104-Q108 VanDerWaalsContact O-CG 3.27Å; E104-Q108 WeakPolarHBondContact O-CG 3.43Å; E104-Q108 PolarHBondContact O-N 3.25Å; E104-Q108 PolarHBondContact OE1-NE2 3.01Å; M106-Q108 PolarHBondContact O-N 2.85Å
109	L	94.4	Very high	94.6	Very high	23 Å²	23	59.9 Å²	59.9	12%	0.12	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.3	174.5	-66.3	175.1	0	0	0	113.2	R22 F25 A105 M106 Y107 L111	R22-L109 HydrophobicContact CG-CD1 4.03Å; R22-L109 HydrophobicContact CG-CD2 3.66Å; R22-L109 HydrophobicContact CG-CG 3.88Å; F25-L109 HydrophobicContact CB-CD1 4.49Å; F25-L109 HydrophobicContact CD1-CD1 3.39Å; F25-L109 HydrophobicContact CE1-CD1 3.69Å; F25-L109 HydrophobicContact CG-CD1 4Å; F25-L109 HydrophobicContact CZ-CD1 4.48Å; A105-L109 VanDerWaalsContact O-CG 3.25Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.32Å; M106-L109 HydrophobicContact CE-CD1 3.68Å; M106-L109 CarbonylContact O-C 3.51Å; M106-L109 WeakPolarHBondContact O-CA 3.47Å; M106-L109 WeakPolarHBondContact O-CB 3.23Å; M106-L109 PolarHBondContact O-N 3.19Å; M106-L109 HydrophobicContact SD-CD1 4.4Å; Y107-L109 PolarHBondContact O-N 2.84Å; Y107-L109 VanDerWaalsContact O-N 3.16Å; L109-L111 HydrophobicContact CB-CD1 4.25Å; L109-L111 HydrophobicContact CB-CG 4.3Å
110	G	95.5	Very high	94.8	Very high	71 Å²	71	57.7 Å²	57.7	73%	0.732	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	26.5	-174.3	0	0	0	0	0	113.3	M106 Y107	M106-G110 PolarHBondContact O-N 3.11Å; Y107-G110 PolarHBondContact O-N 3.24Å
111	L	96.3	Very high	94.9	Very high	22 Å²	22	53.6 Å²	53.6	12%	0.115	28%	0.281	C	S	.	.			trans	-114.1	138.2	179.5	-61.3	173.4	0	0	0	110.2	F25 F45 M106 Y107 L109 L116	F25-L111 HydrophobicContact CE1-CD1 3.99Å; F25-L111 HydrophobicContact CE2-CD1 4.44Å; F25-L111 HydrophobicContact CZ-CD1 3.57Å; F45-L111 HydrophobicContact CB-CD1 4.18Å; F45-L111 HydrophobicContact CD1-CD1 3.92Å; F45-L111 HydrophobicContact CD1-CD2 4.43Å; F45-L111 HydrophobicContact CD2-CD1 4.46Å; F45-L111 HydrophobicContact CD2-CD2 3.66Å; F45-L111 HydrophobicContact CE1-CD1 4.4Å; F45-L111 HydrophobicContact CE2-CD2 3.82Å; F45-L111 HydrophobicContact CG-CD1 3.95Å; F45-L111 HydrophobicContact CG-CD2 4Å; F45-L111 HydrophobicContact CZ-CD2 4.25Å; M106-L111 CarbonylContact C-O 3.59Å; M106-L111 HydrophobicContact CB-CB 4.27Å; M106-L111 PolarHBondContact O-N 3.17Å; M106-L111 HydrophobicContact SD-CD1 4.22Å; Y107-L111 PolarHBondContact N-O 3.31Å; L109-L111 HydrophobicContact CB-CD1 4.25Å; L109-L111 HydrophobicContact CB-CG 4.3Å; L111-L116 HydrophobicContact CB-CD1 4.34Å; L111-L116 HydrophobicContact CD1-CD1 4.44Å
112	D	94.9	Very high	95	Very high	77 Å²	77	53.1 Å²	53.1	41%	0.412	28%	0.276	S	S	.	.			trans	-88.8	119.4	170.3	-174.4	-16.8	0	0	0	109.6	E114 E115 L116	D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.94Å; D112-E114 WeakPolarHBondContact OD1-CB 3.34Å; D112-E114 PolarHBondContact OD1-N 2.9Å; D112-E115 HydrophobicContact CB-CB 4.25Å; D112-E115 HydrophobicContact CB-CG 3.94Å; D112-E115 PolarHBondContact O-N 3.43Å; D112-L116 WeakPolarHBondContact O-CG 3.04Å; D112-L116 PolarHBondContact O-N 3.11Å
113	I	94.7	Very high	95	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-31.5	179.8	-162.8	159.8	0	0	0	112.2	L49 M93 L102 D103 M106 L116 E117	L49-I113 HydrophobicContact CD2-CD1 4.42Å; L49-I113 HydrophobicContact CD2-CG1 4.12Å; M93-I113 HydrophobicContact CE-CD1 3.99Å; M93-I113 HydrophobicContact CE-CG1 4.4Å; M93-I113 HydrophobicContact SD-CD1 3.89Å; L102-I113 HydrophobicContact CB-CD1 4.19Å; D103-I113 HydrophobicContact CB-CD1 4.45Å; D103-I113 HydrophobicContact CB-CG2 4.48Å; D103-I113 VanDerWaalsContact OD1-CG2 3.26Å; D103-I113 WeakPolarHBondContact OD1-CG2 3.42Å; M106-I113 HydrophobicContact CB-CB 4.45Å; M106-I113 HydrophobicContact CG-CB 4.47Å; M106-I113 HydrophobicContact CG-CD1 4.29Å; M106-I113 HydrophobicContact CG-CG1 4.45Å; I113-L116 PolarHBondContact O-N 2.92Å; I113-E117 VanDerWaalsContact O-CG 3.3Å; I113-E117 WeakPolarHBondContact O-CG 3.45Å; I113-E117 PolarHBondContact O-N 3.19Å
114	E	91.9	Very high	95	Very high	110 Å²	110	49.9 Å²	49.9	51%	0.514	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-36.8	178.4	-64.2	-161.4	167.4	0	0	111.6	D112 L116 E117 E118	D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.94Å; D112-E114 WeakPolarHBondContact OD1-CB 3.34Å; D112-E114 PolarHBondContact OD1-N 2.9Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-E117 PolarHBondContact O-N 3.43Å; E114-E118 PolarHBondContact O-N 3.34Å; E114-E118 VanDerWaalsContact O-N 3.14Å
115	E	93.2	Very high	95	Very high	107 Å²	107	45.1 Å²	45.1	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-38.3	174	-66.6	-170.7	164.1	0	0	111.6	M42 D112 E118	M42-E115 HydrophobicContact CE-CB 3.59Å; M42-E115 WeakPolarHBondContact CE-OE2 3.27Å; D112-E115 HydrophobicContact CB-CB 4.25Å; D112-E115 HydrophobicContact CB-CG 3.94Å; D112-E115 PolarHBondContact O-N 3.43Å; E115-E118 PolarHBondContact O-N 2.95Å
116	L	95.8	Very high	94.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-38.2	175.2	-60.6	179.2	0	0	0	112	M42 F45 Y46 L49 M106 L111 D112 I113 E114 E118 M119	M42-L116 HydrophobicContact CE-CD2 3.58Å; M42-L116 HydrophobicContact CE-CG 4.29Å; M42-L116 HydrophobicContact SD-CD2 4.37Å; F45-L116 HydrophobicContact CB-CD2 3.54Å; Y46-L116 WeakPolarHBondContact CD2-O 3.19Å; L49-L116 HydrophobicContact CD2-CB 4.12Å; L49-L116 HydrophobicContact CD2-CD1 3.78Å; M106-L116 HydrophobicContact CG-CD1 4.33Å; M106-L116 HydrophobicContact SD-CD1 4.04Å; L111-L116 HydrophobicContact CB-CD1 4.34Å; L111-L116 HydrophobicContact CD1-CD1 4.44Å; D112-L116 WeakPolarHBondContact O-CG 3.04Å; D112-L116 PolarHBondContact O-N 3.11Å; I113-L116 PolarHBondContact O-N 2.92Å; E114-L116 VanDerWaalsContact C-N 3.34Å; L116-E118 VanDerWaalsContact C-N 3.27Å; L116-E118 PolarHBondContact O-N 3.45Å; L116-M119 WeakPolarHBondContact O-CB 3.41Å; L116-M119 PolarHBondContact O-N 2.88Å
117	E	94.4	Very high	94.2	Very high	20 Å²	20	46.9 Å²	46.9	9%	0.093	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-34.7	174	-75	178.7	164.8	0	0	112.2	L89 K90 M93 I113 E114 M119 E120	L89-E117 HydrophobicContact CD2-CG 4.14Å; K90-E117 WeakPolarHBondContact CD-OE1 3.29Å; K90-E117 WeakPolarHBondContact CD-OE2 3.36Å; K90-E117 WeakPolarHBondContact CG-OE1 3.46Å; K90-E117 IonicContact NZ-OE1 3.97Å; K90-E117 IonicContact NZ-OE2 3.92Å; K90-E117 PolarHBondContact NZ-OE2 3.03Å; M93-E117 HydrophobicContact CE-CG 4.49Å; M93-E117 WeakPolarHBondContact CE-OE1 3.39Å; I113-E117 VanDerWaalsContact O-CG 3.3Å; I113-E117 WeakPolarHBondContact O-CG 3.45Å; I113-E117 PolarHBondContact O-N 3.19Å; E114-E117 PolarHBondContact O-N 3.43Å; E117-M119 VanDerWaalsContact C-N 3.29Å; E117-M119 PolarHBondContact O-N 3.16Å; E117-E120 PolarHBondContact O-N 3.28Å
118	E	92.8	Very high	93.8	Very high	42 Å²	42	39 Å²	39	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-71.3	-20.7	177.2	-77.6	-54.4	127.8	0	0	114.2	R87 E114 E115 L116 E120 R645	R87-E118 IonicContact CZ-OE1 3.1Å; R87-E118 IonicContact CZ-OE2 3.54Å; R87-E118 VanDerWaalsContact NH1-CD 3.26Å; R87-E118 IonicContact NH1-OE1 2.66Å; R87-E118 PolarHBondContact NH1-OE1 3.08Å; R87-E118 IonicContact NH1-OE2 2.81Å; R87-E118 PolarHBondContact NH1-OE2 3.46Å; R87-E118 PolarHBondContact NH2-O 2.88Å; R87-E118 IonicContact NH2-OE1 2.88Å; R87-E118 IonicContact NH2-OE2 3.02Å; R87-E118 PolarHBondContact NH2-OE2 2.7Å; E114-E118 PolarHBondContact O-N 3.34Å; E114-E118 VanDerWaalsContact O-N 3.14Å; E115-E118 PolarHBondContact O-N 2.95Å; L116-E118 VanDerWaalsContact C-N 3.27Å; L116-E118 PolarHBondContact O-N 3.45Å; E118-E120 PolarHBondContact O-N 3.33Å; E118-R645 IonicContact OE1-CZ 2.65Å; E118-R645 IonicContact OE1-NE 3.96Å; E118-R645 IonicContact OE1-NH2 2.97Å; E118-R645 PolarHBondContact OE1-NH2 3.05Å
119	M	94.7	Very high	93.5	Very high	79 Å²	79	37 Å²	37	39%	0.389	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.7	175.3	-62.7	-59.1	104.7	0	0	112.8	M42 Y46 L116 E117	M42-M119 HydrophobicContact CB-CG 4.25Å; M42-M119 HydrophobicContact CB-SD 3.99Å; Y46-M119 HydrophobicContact CD1-CB 4.31Å; Y46-M119 HydrophobicContact CD2-CB 4.39Å; Y46-M119 HydrophobicContact CG-CB 3.89Å; L116-M119 WeakPolarHBondContact O-CB 3.41Å; L116-M119 PolarHBondContact O-N 2.88Å; E117-M119 VanDerWaalsContact C-N 3.29Å; E117-M119 PolarHBondContact O-N 3.16Å
120	E	96.3	Very high	93.4	Very high	8 Å²	8	37 Å²	37	4%	0.037	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-72.5	131.8	-180	-172.4	171.7	-159.1	0	0	111.8	Y46 R87 T88 L89 E117 E118 W183	Y46-E120 HydrophobicContact CD2-CB 4.45Å; Y46-E120 HydrophobicContact CE2-CB 3.65Å; Y46-E120 HydrophobicContact CE2-CG 4.1Å; Y46-E120 WeakPolarHBondContact OH-CG 3.44Å; R87-E120 HydrophobicContact CB-CG 4.17Å; R87-E120 WeakPolarHBondContact CB-OE2 3.44Å; R87-E120 HydrophobicContact CG-CB 4.09Å; R87-E120 HydrophobicContact CG-CG 3.92Å; R87-E120 PolarHBondContact NE-O 2.69Å; T88-E120 WeakPolarHBondContact CB-OE1 3.48Å; T88-E120 PolarHBondContact N-OE1 3.45Å; T88-E120 PolarHBondContact N-OE2 3.45Å; T88-E120 VanDerWaalsContact N-OE2 3.12Å; L89-E120 WeakPolarHBondContact CB-OE2 3.4Å; L89-E120 PolarHBondContact N-OE1 2.99Å; L89-E120 PolarHBondContact N-OE2 3.3Å; E117-E120 PolarHBondContact O-N 3.28Å; E118-E120 PolarHBondContact O-N 3.33Å; E120-W183 PolarHBondContact OE1-NE1 2.78Å
121	C	94.5	Very high	93.4	Very high	74 Å²	74	33.6 Å²	33.6	50%	0.5	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-83	143.3	170.1	-65.5	0	0	0	0	110.8	A123 W176	C121-A123 PolarHBondContact O-N 3.43Å; C121-W176 HydrophobicContact CB-CB 4.3Å
122	D	96.1	Very high	93.4	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.053	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-61.4	136.4	167.6	-74.4	49	0	0	0	109.2	G124 R639 V640 S641	D122-G124 PolarHBondContact O-N 2.97Å; D122-R639 IonicContact OD1-NE 2.84Å; D122-V640 PolarHBondContact OD2-N 2.91Å; D122-V640 VanDerWaalsContact OD2-N 3.14Å; D122-S641 VanDerWaalsContact CG-OG 3.32Å; D122-S641 WeakPolarHBondContact OD1-CB 3.18Å; D122-S641 PolarHBondContact OD1-OG 2.79Å; D122-S641 PolarHBondContact OD2-N 3.28Å; D122-S641 PolarHBondContact OD2-OG 3.11Å
123	A	96.3	Very high	93.6	Very high	10 Å²	10	29.6 Å²	29.6	8%	0.083	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-66.2	118	173.9	0	0	0	0	0	111.1	M85 G86 C121 L125 W176	M85-A123 HydrophobicContact CB-CB 4.27Å; G86-A123 PolarHBondContact O-N 3.03Å; C121-A123 PolarHBondContact O-N 3.43Å; A123-L125 HydrophobicContact CB-CD1 4.08Å; A123-L125 HydrophobicContact CB-CG 4.24Å; A123-L125 PolarHBondContact O-N 2.89Å; A123-W176 HydrophobicContact CB-CE3 4.01Å; A123-W176 HydrophobicContact CB-CH2 4.18Å; A123-W176 HydrophobicContact CB-CZ3 3.75Å
124	G	94	Very high	93.7	Very high	2 Å²	2	29 Å²	29	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-72.6	56.9	178.3	0	0	0	0	0	112.8	D122 G158	D122-G124 PolarHBondContact O-N 2.97Å; G124-G158 WeakPolarHBondContact O-CA 3.25Å
125	L	95.7	Very high	94	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.031	14%	0.144	C	C	.	.	S	Bend	trans	-116.9	1	-174.3	-64.7	175.6	0	0	0	113	E82 F83 A123 Y155 W176 L238	E82-L125 CarbonylContact C-O 3.6Å; E82-L125 VanDerWaalsContact CA-O 3.31Å; E82-L125 WeakPolarHBondContact CA-O 3.42Å; F83-L125 PolarHBondContact N-O 3.3Å; F83-L125 CarbonylContact O-C 3.22Å; F83-L125 VanDerWaalsContact O-C 3.29Å; F83-L125 WeakPolarHBondContact O-CB 3.3Å; A123-L125 HydrophobicContact CB-CD1 4.08Å; A123-L125 HydrophobicContact CB-CG 4.24Å; A123-L125 PolarHBondContact O-N 2.89Å; L125-Y155 HydrophobicContact CD2-CD2 4.42Å; L125-W176 HydrophobicContact CD1-CH2 4.17Å; L125-W176 HydrophobicContact CD1-CZ2 4.45Å; L125-W176 HydrophobicContact CD2-CH2 4.27Å; L125-W176 HydrophobicContact CD2-CZ2 3.76Å; L125-W176 HydrophobicContact CG-CH2 4.12Å; L125-W176 HydrophobicContact CG-CZ2 3.91Å; L125-L238 HydrophobicContact CD1-CD1 3.46Å; L125-L238 VanDerWaalsContact CD1-CD1 3.46Å; L125-L238 HydrophobicContact CD1-CD2 4.41Å; L125-L238 HydrophobicContact CD2-CD1 4.1Å; L125-L238 HydrophobicContact CG-CD1 4.44Å
126	G	91.3	Very high	94.3	Very high	7 Å²	7	18.8 Å²	18.8	7%	0.072	12%	0.12	C	C	.	.			trans	-163.2	167.7	179.4	0	0	0	0	0	111.5
127	N	84.9	Confident	94.4	Very high	30 Å²	30	18.9 Å²	18.9	16%	0.16	12%	0.12	C	C	.	.			trans	-130	-34.2	-174.8	-172	30.5	0	0	0	112.2	E82 F84 A159 L274	E82-N127 PolarHBondContact OE2-N 3.24Å; F84-N127 VanDerWaalsContact CE1-O 3.24Å; F84-N127 WeakPolarHBondContact CE1-O 3.15Å; N127-A159 HydrophobicContact CB-CB 4.18Å; N127-L274 HydrophobicContact CB-CD2 4Å
128	G	86.3	Confident	94.6	Very high	22 Å²	22	18 Å²	18	23%	0.227	12%	0.117	C	C	.	.	S	Bend	trans	-129.2	-164.9	-165.6	0	0	0	0	0	116.8	E82 L130 R132	E82-G128 PolarHBondContact OE2-N 3.32Å; E82-G128 VanDerWaalsContact OE2-N 3.15Å; G128-L130 VanDerWaalsContact C-N 3.31Å; G128-L130 PolarHBondContact O-N 3.47Å; G128-R132 WeakPolarHBondContact O-CB 3.32Å; G128-R132 PolarHBondContact O-N 2.96Å; G128-R132 VanDerWaalsContact O-N 3.14Å
129	G	89.7	Confident	94.9	Very high	44 Å²	44	16.4 Å²	16.4	45%	0.454	11%	0.109	S	C	.	.	H	α-helix	trans	-63.2	-35.3	176.8	0	0	0	0	0	113	R132 L133	G129-R132 PolarHBondContact O-N 3.34Å; G129-L133 WeakPolarHBondContact O-CB 3.36Å; G129-L133 PolarHBondContact O-N 3.43Å
130	L	92.8	Very high	95	Very high	23 Å²	23	12.7 Å²	12.7	12%	0.12	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-55.5	177.3	-177.3	67.8	0	0	0	111.4	G128 R132 L133 A134 N327 D328 H366	G128-L130 VanDerWaalsContact C-N 3.31Å; G128-L130 PolarHBondContact O-N 3.47Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 3.25Å; L130-L133 WeakPolarHBondContact O-CB 3.4Å; L130-L133 PolarHBondContact O-N 2.97Å; L130-A134 PolarHBondContact O-N 3.37Å; L130-A134 VanDerWaalsContact O-N 3.11Å; L130-N327 VanDerWaalsContact CD1-ND2 3.32Å; L130-N327 WeakPolarHBondContact CD1-ND2 3.23Å; L130-N327 WeakPolarHBondContact CD1-OD1 3.45Å; L130-D328 HydrophobicContact CD1-CB 4.18Å; L130-D328 HydrophobicContact CD2-CB 4.16Å; L130-H366 VanDerWaalsContact CD1-CD2 3.42Å; L130-H366 WeakPolarHBondContact CD1-CD2 3.35Å; L130-H366 WeakPolarHBondContact CD1-NE2 3.34Å
131	G	94.7	Very high	95.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.5	-34	177.1	0	0	0	0	0	113.2	E82 F84 A134 A135	E82-G131 VanDerWaalsContact CB-CA 3.5Å; E82-G131 WeakPolarHBondContact O-CA 3.48Å; F84-G131 VanDerWaalsContact N-C 3.28Å; F84-G131 PolarHBondContact N-O 3.27Å; G131-A134 PolarHBondContact O-N 3.26Å; G131-A135 WeakPolarHBondContact O-CB 3.42Å; G131-A135 PolarHBondContact O-N 3.44Å
132	R	97.4	Very high	95.3	Very high	12 Å²	12	8.8 Å²	8.8	5%	0.045	7%	0.066	C	C	.	.	H	α-helix	trans	-73.1	-32	178.6	-167.8	55.4	-113.1	-172.8	-4	113	F84 M85 G128 G129 L130 C136 W480	F84-R132 HydrophobicContact CB-CB 4.16Å; F84-R132 VanDerWaalsContact O-CD 3.25Å; F84-R132 WeakPolarHBondContact O-CD 3.34Å; F84-R132 PolarHBondContact O-NH1 2.95Å; M85-R132 PolarHBondContact O-NH1 3.2Å; G128-R132 WeakPolarHBondContact O-CB 3.32Å; G128-R132 PolarHBondContact O-N 2.96Å; G128-R132 VanDerWaalsContact O-N 3.14Å; G129-R132 PolarHBondContact O-N 3.34Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 3.25Å; R132-C136 PolarHBondContact O-N 2.78Å; R132-C136 PolarHBondContact O-SG 3.06Å; R132-W480 HydrophobicContact CG-CZ2 4.06Å
133	L	97.3	Very high	95.4	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-62.9	-51.4	170.7	-177.5	73.9	0	0	0	110	G129 L130 A135 C136 F137 H366 N473 T666	G129-L133 WeakPolarHBondContact O-CB 3.36Å; G129-L133 PolarHBondContact O-N 3.43Å; L130-L133 WeakPolarHBondContact O-CB 3.4Å; L130-L133 PolarHBondContact O-N 2.97Å; L133-A135 VanDerWaalsContact C-N 3.29Å; L133-A135 PolarHBondContact O-N 2.87Å; L133-C136 CarbonylContact O-C 3.58Å; L133-C136 PolarHBondContact O-N 2.88Å; L133-F137 HydrophobicContact CD1-CD1 4.06Å; L133-F137 HydrophobicContact CD1-CE1 3.39Å; L133-F137 HydrophobicContact CD1-CE2 4.42Å; L133-F137 HydrophobicContact CD1-CZ 3.6Å; L133-F137 HydrophobicContact CD2-CE2 4.23Å; L133-F137 HydrophobicContact CD2-CZ 4.06Å; L133-F137 HydrophobicContact CG-CD1 4.26Å; L133-F137 HydrophobicContact CG-CD2 4.5Å; L133-F137 HydrophobicContact CG-CE1 3.88Å; L133-F137 HydrophobicContact CG-CE2 4.13Å; L133-F137 HydrophobicContact CG-CZ 3.8Å; L133-F137 PolarHBondContact O-N 2.87Å; L133-H366 VanDerWaalsContact CD2-CE1 3.47Å; L133-H366 WeakPolarHBondContact CD2-CE1 3.37Å; L133-N473 HydrophobicContact CD1-CB 3.94Å; L133-N473 WeakPolarHBondContact CD1-OD1 3.49Å; L133-N473 VanDerWaalsContact CD2-OD1 3.26Å; L133-N473 WeakPolarHBondContact CD2-OD1 3.22Å; L133-T666 HydrophobicContact CD1-CG2 4.41Å
134	A	98.1	Very high	95.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-54.7	-45.3	177.4	0	0	0	0	0	111.5	F78 F83 L130 G131 C136 F137 L138	F78-A134 HydrophobicContact CD1-CB 4.46Å; F78-A134 HydrophobicContact CE1-CB 3.75Å; F83-A134 HydrophobicContact CD1-CB 3.7Å; F83-A134 HydrophobicContact CE1-CB 3.67Å; F83-A134 HydrophobicContact CZ-CB 4.45Å; L130-A134 PolarHBondContact O-N 3.37Å; L130-A134 VanDerWaalsContact O-N 3.11Å; G131-A134 PolarHBondContact O-N 3.26Å; A134-C136 PolarHBondContact O-N 3.19Å; A134-F137 PolarHBondContact O-N 3.41Å; A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 2.85Å
135	A	98.3	Very high	95.5	Very high	3 Å²	3	9.7 Å²	9.7	3%	0.025	7%	0.069	C	C	.	.	H	α-helix	trans	-63	-38	175.4	0	0	0	0	0	113.7	M85 G131 L133 D139	M85-A135 HydrophobicContact SD-CB 3.56Å; M85-A135 VanDerWaalsContact SD-CB 3.56Å; G131-A135 WeakPolarHBondContact O-CB 3.42Å; G131-A135 PolarHBondContact O-N 3.44Å; L133-A135 VanDerWaalsContact C-N 3.29Å; L133-A135 PolarHBondContact O-N 2.87Å; A135-D139 PolarHBondContact O-N 2.99Å
136	C	98.6	Very high	95.5	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.007	7%	0.067	C	C	.	.	H	α-helix	trans	-69.9	-34.7	173.8	-76.8	0	0	0	0	112.5	R132 L133 A134 D139 S140 S476	R132-C136 PolarHBondContact O-N 2.78Å; R132-C136 PolarHBondContact O-SG 3.06Å; L133-C136 CarbonylContact O-C 3.58Å; L133-C136 PolarHBondContact O-N 2.88Å; A134-C136 PolarHBondContact O-N 3.19Å; C136-D139 PolarHBondContact O-N 2.99Å; C136-S140 PolarHBondContact O-N 3.47Å; C136-S140 PolarHBondContact O-OG 2.88Å; C136-S476 PolarHBondContact SG-N 3.39Å
137	F	98.5	Very high	95.8	Very high	1 Å²	1	9 Å²	9	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-67.5	-40.9	176.2	-77.2	10.2	0	0	0	111.6	F78 L133 A134 D139 S140 M141 T806 V807 Y810	F78-F137 AromaticContact CE2-CD2 3.74Å; F78-F137 HydrophobicContact CE2-CD2 3.74Å; F78-F137 HydrophobicContact CE2-CE2 4.35Å; F78-F137 AromaticContact CZ-CD2 3.94Å; F78-F137 HydrophobicContact CZ-CD2 3.94Å; L133-F137 HydrophobicContact CD1-CD1 4.06Å; L133-F137 HydrophobicContact CD1-CE1 3.39Å; L133-F137 HydrophobicContact CD1-CE2 4.42Å; L133-F137 HydrophobicContact CD1-CZ 3.6Å; L133-F137 HydrophobicContact CD2-CE2 4.23Å; L133-F137 HydrophobicContact CD2-CZ 4.06Å; L133-F137 HydrophobicContact CG-CD1 4.26Å; L133-F137 HydrophobicContact CG-CD2 4.5Å; L133-F137 HydrophobicContact CG-CE1 3.88Å; L133-F137 HydrophobicContact CG-CE2 4.13Å; L133-F137 HydrophobicContact CG-CZ 3.8Å; L133-F137 PolarHBondContact O-N 2.87Å; A134-F137 PolarHBondContact O-N 3.41Å; F137-D139 VanDerWaalsContact C-N 3.34Å; F137-D139 PolarHBondContact O-N 2.75Å; F137-S140 PolarHBondContact O-N 2.97Å; F137-M141 HydrophobicContact CB-CE 4.48Å; F137-M141 WeakPolarHBondContact O-CB 3.42Å; F137-M141 VanDerWaalsContact O-CG 3.31Å; F137-M141 WeakPolarHBondContact O-CG 3.45Å; F137-M141 PolarHBondContact O-N 3.44Å; F137-T806 HydrophobicContact CE1-CG2 3.76Å; F137-T806 HydrophobicContact CZ-CG2 3.54Å; F137-V807 HydrophobicContact CB-CG2 4.16Å; F137-V807 HydrophobicContact CD1-CG2 3.89Å; F137-V807 HydrophobicContact CE1-CG2 4.42Å; F137-V807 HydrophobicContact CG-CG2 3.95Å; F137-Y810 HydrophobicContact CE2-CD2 4.31Å; F137-Y810 AromaticContact CE2-CE2 3.76Å; F137-Y810 HydrophobicContact CE2-CE2 3.76Å; F137-Y810 HydrophobicContact CZ-CD2 4.46Å; F137-Y810 AromaticContact CZ-CE2 3.83Å; F137-Y810 HydrophobicContact CZ-CE2 3.83Å
138	L	98.5	Very high	96.5	Very high	3 Å²	3	7.7 Å²	7.7	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-56.7	-47.5	173.7	-70.3	-179.2	0	0	0	112	F83 M85 A134 S140 M141 A142 I225 L236	F83-L138 HydrophobicContact CD1-CD1 3.48Å; F83-L138 VanDerWaalsContact CD1-CD1 3.48Å; F83-L138 HydrophobicContact CD1-CG 4.24Å; F83-L138 HydrophobicContact CE1-CD1 3.46Å; F83-L138 VanDerWaalsContact CE1-CD1 3.46Å; F83-L138 HydrophobicContact CE1-CD2 4.28Å; F83-L138 HydrophobicContact CE1-CG 3.88Å; F83-L138 HydrophobicContact CZ-CD1 4.5Å; M85-L138 HydrophobicContact CE-CD1 4.48Å; M85-L138 HydrophobicContact SD-CD1 4.34Å; A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 2.85Å; L138-S140 PolarHBondContact O-N 3.41Å; L138-M141 HydrophobicContact CD2-CE 3.73Å; L138-M141 PolarHBondContact O-N 2.91Å; L138-A142 PolarHBondContact O-N 3.24Å; L138-I225 HydrophobicContact CB-CG2 4.06Å; L138-I225 HydrophobicContact CD1-CD1 4.41Å; L138-I225 HydrophobicContact CD1-CG1 4.45Å; L138-L236 HydrophobicContact CD1-CB 4.09Å; L138-L236 HydrophobicContact CD1-CD1 4.14Å; L138-L236 HydrophobicContact CD1-CD2 4.13Å; L138-L236 HydrophobicContact CD1-CG 4.34Å
139	D	98.4	Very high	97	Very high	8 Å²	8	7.4 Å²	7.4	4%	0.043	5%	0.049	C	C	.	.	H	α-helix	trans	-63.1	-40.4	177.4	175.8	-97.6	0	0	0	112.2	N95 A135 C136 F137 T143 S476 R478	N95-D139 PolarHBondContact ND2-OD2 3.38Å; A135-D139 PolarHBondContact O-N 2.99Å; C136-D139 PolarHBondContact O-N 2.99Å; F137-D139 VanDerWaalsContact C-N 3.34Å; F137-D139 PolarHBondContact O-N 2.75Å; D139-T143 VanDerWaalsContact O-CB 3.25Å; D139-T143 WeakPolarHBondContact O-CB 3.44Å; D139-T143 PolarHBondContact O-N 3.06Å; D139-T143 PolarHBondContact O-OG1 2.85Å; D139-S476 VanDerWaalsContact OD1-CB 3.28Å; D139-S476 WeakPolarHBondContact OD1-CB 3.01Å; D139-S476 PolarHBondContact OD1-OG 3.21Å; D139-R478 IonicContact OD1-CZ 2.51Å; D139-R478 IonicContact OD1-NE 2.72Å; D139-R478 PolarHBondContact OD1-NE 3.48Å; D139-R478 IonicContact OD1-NH2 3.29Å; D139-R478 PolarHBondContact OD1-NH2 3.29Å
140	S	98.4	Very high	97.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-67.3	-42.7	174.6	-78.2	0	0	0	0	113.6	C136 F137 L138 A142 T143 I144 R478 S803 D804	C136-S140 PolarHBondContact O-N 3.47Å; C136-S140 PolarHBondContact O-OG 2.88Å; F137-S140 PolarHBondContact O-N 2.97Å; L138-S140 PolarHBondContact O-N 3.41Å; S140-A142 VanDerWaalsContact C-N 3.34Å; S140-A142 PolarHBondContact O-N 2.77Å; S140-T143 PolarHBondContact O-N 2.78Å; S140-I144 WeakPolarHBondContact O-CB 3.46Å; S140-I144 WeakPolarHBondContact O-CD1 3.27Å; S140-I144 WeakPolarHBondContact O-CG1 3.22Å; S140-I144 PolarHBondContact O-N 3.12Å; S140-R478 PolarHBondContact OG-NH2 2.83Å; S140-R478 VanDerWaalsContact OG-NH2 3.1Å; S140-S803 VanDerWaalsContact OG-CB 3.3Å; S140-S803 WeakPolarHBondContact OG-CB 3.49Å; S140-S803 PolarHBondContact OG-OG 2.88Å; S140-D804 VanDerWaalsContact CB-OD1 3.3Å; S140-D804 WeakPolarHBondContact CB-OD1 3.3Å; S140-D804 PolarHBondContact OG-N 3.21Å; S140-D804 VanDerWaalsContact OG-N 3.17Å; S140-D804 PolarHBondContact OG-OD1 2.97Å
141	M	98.4	Very high	97.8	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	2%	0.022	C	C	.	.	H	α-helix	trans	-60.5	-45.7	177	-73.7	-174.5	-67.5	0	0	110.5	V76 F78 F137 L138 G145 L146 A148 V807 W815	V76-M141 HydrophobicContact CG1-SD 4.2Å; F78-M141 HydrophobicContact CB-CE 4.42Å; F137-M141 HydrophobicContact CB-CE 4.48Å; F137-M141 WeakPolarHBondContact O-CB 3.42Å; F137-M141 VanDerWaalsContact O-CG 3.31Å; F137-M141 WeakPolarHBondContact O-CG 3.45Å; F137-M141 PolarHBondContact O-N 3.44Å; L138-M141 HydrophobicContact CD2-CE 3.73Å; L138-M141 PolarHBondContact O-N 2.91Å; M141-G145 PolarHBondContact O-N 3.44Å; M141-G145 VanDerWaalsContact O-N 3.11Å; M141-L146 HydrophobicContact CB-CB 4.22Å; M141-L146 HydrophobicContact CG-CB 4.46Å; M141-L146 HydrophobicContact CG-CD1 4.22Å; M141-L146 PolarHBondContact O-N 3.27Å; M141-A148 HydrophobicContact CB-CB 4.09Å; M141-A148 HydrophobicContact CE-CB 4.06Å; M141-A148 HydrophobicContact CG-CB 4.32Å; M141-A148 HydrophobicContact SD-CB 3.49Å; M141-A148 WeakPolarHBondContact SD-CB 3.35Å; M141-V807 HydrophobicContact CG-CG1 3.66Å; M141-V807 HydrophobicContact CG-CG2 4.43Å; M141-W815 HydrophobicContact SD-CH2 4.19Å; M141-W815 HydrophobicContact SD-CZ3 4.09Å
142	A	97.9	Very high	97.9	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-64.8	-41.8	175.3	0	0	0	0	0	112.2	L138 S140 I144 G145 I225 G227 N230 T232 N234	L138-A142 PolarHBondContact O-N 3.24Å; S140-A142 VanDerWaalsContact C-N 3.34Å; S140-A142 PolarHBondContact O-N 2.77Å; A142-I144 PolarHBondContact O-N 2.7Å; A142-G145 PolarHBondContact O-N 3.38Å; A142-I225 HydrophobicContact CB-CG2 4.11Å; A142-I225 VanDerWaalsContact CB-O 3.31Å; A142-I225 WeakPolarHBondContact CB-O 3.32Å; A142-G227 VanDerWaalsContact C-CA 3.46Å; A142-N230 PolarHBondContact O-ND2 2.97Å; A142-T232 WeakPolarHBondContact O-CB 3.41Å; A142-N234 HydrophobicContact CB-CB 4.33Å
143	T	97.3	Very high	98	Very high	7 Å²	7	3.8 Å²	3.8	4%	0.043	2%	0.02	C	C	.	.	H	α-helix	trans	-64.9	-37.3	-179.5	-64.6	0	0	0	0	113.2	D139 S140 G145 Y228 N230 K503	D139-T143 VanDerWaalsContact O-CB 3.25Å; D139-T143 WeakPolarHBondContact O-CB 3.44Å; D139-T143 PolarHBondContact O-N 3.06Å; D139-T143 PolarHBondContact O-OG1 2.85Å; S140-T143 PolarHBondContact O-N 2.78Å; T143-G145 VanDerWaalsContact C-N 3.34Å; T143-Y228 PolarHBondContact OG1-N 3.02Å; T143-N230 PolarHBondContact O-ND2 2.74Å; T143-K503 HydrophobicContact CG2-CG 4.2Å
144	I	95.8	Very high	98	Very high	31 Å²	31	4.8 Å²	4.8	16%	0.159	2%	0.024	C	C	.	.	H	α-helix	trans	-80.5	-20.2	178.4	-65.2	158.3	0	0	0	111.3	S140 A142 L146 D804 V807 R808 P819	S140-I144 WeakPolarHBondContact O-CB 3.46Å; S140-I144 WeakPolarHBondContact O-CD1 3.27Å; S140-I144 WeakPolarHBondContact O-CG1 3.22Å; S140-I144 PolarHBondContact O-N 3.12Å; A142-I144 PolarHBondContact O-N 2.7Å; I144-L146 HydrophobicContact CB-CG 4.48Å; I144-L146 HydrophobicContact CG2-CG 4.16Å; I144-D804 HydrophobicContact CD1-CB 3.98Å; I144-D804 HydrophobicContact CG1-CB 4.49Å; I144-V807 HydrophobicContact CD1-CB 4.21Å; I144-V807 HydrophobicContact CD1-CG1 3.96Å; I144-R808 HydrophobicContact CD1-CG 3.73Å; I144-R808 HydrophobicContact CG1-CG 4.47Å; I144-R808 HydrophobicContact CG2-CG 4.48Å; I144-P819 HydrophobicContact CG2-CB 4.29Å; I144-P819 HydrophobicContact CG2-CG 3.79Å; I144-P819 WeakPolarHBondContact O-CB 3.4Å
145	G	96.6	Very high	97.9	Very high	2 Å²	2	4.8 Å²	4.8	2%	0.021	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	21.9	-177	0	0	0	0	0	113.3	M141 A142 T143 P819 I820	M141-G145 PolarHBondContact O-N 3.44Å; M141-G145 VanDerWaalsContact O-N 3.11Å; A142-G145 PolarHBondContact O-N 3.38Å; T143-G145 VanDerWaalsContact C-N 3.34Å; G145-P819 WeakPolarHBondContact O-CA 3.43Å; G145-I820 PolarHBondContact O-N 3.05Å
146	L	97.4	Very high	97.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.033	C	C	.	.			trans	-76.7	131.1	179.8	-71.7	174.6	0	0	0	111.2	Y68 M141 I144 A148 N234 V807 A811 V817 P819	Y68-L146 PolarHBondContact OH-O 3.34Å; M141-L146 HydrophobicContact CB-CB 4.22Å; M141-L146 HydrophobicContact CG-CB 4.46Å; M141-L146 HydrophobicContact CG-CD1 4.22Å; M141-L146 PolarHBondContact O-N 3.27Å; I144-L146 HydrophobicContact CB-CG 4.48Å; I144-L146 HydrophobicContact CG2-CG 4.16Å; L146-A148 PolarHBondContact O-N 2.67Å; L146-A148 VanDerWaalsContact O-N 3.09Å; L146-N234 PolarHBondContact O-ND2 3.48Å; L146-V807 HydrophobicContact CD1-CG1 3.4Å; L146-A811 HydrophobicContact CD1-CB 3.79Å; L146-A811 HydrophobicContact CD2-CB 4.03Å; L146-V817 HydrophobicContact CD2-CG1 4.14Å; L146-P819 HydrophobicContact CD2-CB 4.4Å; L146-P819 HydrophobicContact CD2-CG 3.97Å
147	P	97.6	Very high	97.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.			trans	-67.6	103.9	174.4	25.2	-30.2	0	0	0	111.2	Y68 P73 K74 M75 V76 V817	Y68-P147 HydrophobicContact CD1-CB 4.08Å; Y68-P147 HydrophobicContact CD2-CB 4.42Å; Y68-P147 HydrophobicContact CE1-CB 3.77Å; Y68-P147 HydrophobicContact CE2-CB 4.11Å; Y68-P147 HydrophobicContact CG-CB 4.41Å; Y68-P147 VanDerWaalsContact CZ-CA 3.48Å; Y68-P147 WeakPolarHBondContact OH-CA 3.41Å; P73-P147 HydrophobicContact CB-CB 4.07Å; P73-P147 HydrophobicContact CB-CG 3.67Å; P73-P147 HydrophobicContact CG-CB 3.68Å; P73-P147 HydrophobicContact CG-CG 3.88Å; K74-P147 WeakPolarHBondContact O-CG 3.2Å; M75-P147 HydrophobicContact CE-CB 3.85Å; M75-P147 HydrophobicContact SD-CB 3.58Å; M75-P147 VanDerWaalsContact SD-CB 3.58Å; V76-P147 PolarHBondContact N-O 2.9Å; P147-V817 HydrophobicContact CG-CG1 3.72Å
148	A	98.1	Very high	97	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.008	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.3	-172.1	0	0	0	0	0	114.7	V76 M141 L146 N234	V76-A148 HydrophobicContact CB-CB 3.97Å; V76-A148 CarbonylContact O-C 3.44Å; V76-A148 VanDerWaalsContact O-CA 3.24Å; V76-A148 WeakPolarHBondContact O-CA 3.41Å; M141-A148 HydrophobicContact CB-CB 4.09Å; M141-A148 HydrophobicContact CE-CB 4.06Å; M141-A148 HydrophobicContact CG-CB 4.32Å; M141-A148 HydrophobicContact SD-CB 3.49Å; M141-A148 WeakPolarHBondContact SD-CB 3.35Å; L146-A148 PolarHBondContact O-N 2.67Å; L146-A148 VanDerWaalsContact O-N 3.09Å; A148-N234 WeakPolarHBondContact O-CB 3.25Å
149	Y	98.4	Very high	96.5	Very high	16 Å²	16	9.2 Å²	9.2	6%	0.063	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.5	166.5	-70.9	-92.8	0	0	0	110.6	Q65 M75 V76 F78 Y151 T235	Q65-Y149 PolarHBondContact OE1-OH 3.02Å; M75-Y149 HydrophobicContact CE-CD2 3.79Å; M75-Y149 HydrophobicContact CE-CE2 3.48Å; M75-Y149 VanDerWaalsContact CE-CE2 3.48Å; V76-Y149 PolarHBondContact O-N 3.15Å; F78-Y149 PolarHBondContact N-O 3.39Å; Y149-Y151 VanDerWaalsContact CB-CE2 3.48Å; Y149-Y151 HydrophobicContact CG-CE2 4.15Å; Y149-T235 WeakPolarHBondContact CA-O 3.28Å; Y149-T235 HydrophobicContact CD1-CG2 4.05Å; Y149-T235 HydrophobicContact CE1-CG2 4.1Å
150	G	98.6	Very high	96.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.4	158.9	0	0	0	0	0	110.1	T235 L236 R237	G150-T235 PolarHBondContact N-O 2.88Å; G150-L236 CarbonylContact O-C 3.48Å; G150-L236 WeakPolarHBondContact O-CA 3.31Å; G150-R237 PolarHBondContact O-N 2.94Å
151	Y	98.8	Very high	96	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.7	173.9	-76.3	-88.1	0	0	0	110.9	C77 F78 L79 S80 F83 Y149 R237 W239 T298 D301 I302	C77-Y151 HydrophobicContact CB-CD2 4.34Å; C77-Y151 HydrophobicContact CB-CE2 4.29Å; F78-Y151 PolarHBondContact O-N 2.88Å; L79-Y151 HydrophobicContact CD1-CD2 4.37Å; S80-Y151 PolarHBondContact N-O 3.18Å; S80-Y151 VanDerWaalsContact N-O 3.1Å; F83-Y151 WeakPolarHBondContact CE2-O 3.37Å; Y149-Y151 VanDerWaalsContact CB-CE2 3.48Å; Y149-Y151 HydrophobicContact CG-CE2 4.15Å; Y151-R237 WeakPolarHBondContact CA-O 3.01Å; Y151-R237 HydrophobicContact CD1-CB 4.05Å; Y151-R237 HydrophobicContact CD1-CG 4.34Å; Y151-R237 HydrophobicContact CE1-CB 4.02Å; Y151-R237 HydrophobicContact CE1-CG 4.14Å; Y151-W239 HydrophobicContact CD1-CZ2 4.28Å; Y151-W239 AromaticContact CD1-NE1 3.76Å; Y151-W239 HydrophobicContact CE1-CZ2 4.04Å; Y151-T298 HydrophobicContact CD1-CG2 3.62Å; Y151-T298 VanDerWaalsContact CD1-OG1 3.31Å; Y151-T298 WeakPolarHBondContact CD1-OG1 3.3Å; Y151-T298 HydrophobicContact CD2-CG2 3.74Å; Y151-T298 HydrophobicContact CE1-CG2 3.98Å; Y151-T298 HydrophobicContact CE2-CG2 4.12Å; Y151-T298 HydrophobicContact CG-CG2 3.47Å; Y151-T298 VanDerWaalsContact CG-CG2 3.47Å; Y151-D301 WeakPolarHBondContact CE1-OD2 3.12Å; Y151-D301 PolarHBondContact OH-OD2 2.65Å; Y151-I302 HydrophobicContact CE2-CD1 4.49Å; Y151-I302 HydrophobicContact CE2-CG1 4.35Å
152	G	98.5	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-169.4	179.5	0	0	0	0	0	113.2	S80 R237 L238 W239	S80-G152 WeakPolarHBondContact O-CA 3.45Å; G152-R237 PolarHBondContact N-O 3.14Å; G152-L238 CarbonylContact O-C 3.51Å; G152-L238 WeakPolarHBondContact O-CA 3.41Å; G152-W239 PolarHBondContact O-N 3.31Å
153	I	98.3	Very high	95.8	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.015	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.4	176.4	-60.4	179.1	0	0	0	109.1	M81 Y155 Q290 F293 L294	M81-I153 HydrophobicContact CE-CD1 3.97Å; M81-I153 HydrophobicContact SD-CD1 3.92Å; I153-Y155 HydrophobicContact CB-CD1 4.46Å; I153-Y155 HydrophobicContact CB-CD2 4.44Å; I153-Y155 HydrophobicContact CB-CE1 3.94Å; I153-Y155 HydrophobicContact CB-CE2 3.91Å; I153-Y155 HydrophobicContact CD1-CE1 4.31Å; I153-Y155 HydrophobicContact CG2-CD1 3.89Å; I153-Y155 HydrophobicContact CG2-CE1 3.68Å; I153-Y155 HydrophobicContact CG2-CE2 4.36Å; I153-Y155 HydrophobicContact CG2-CG 4.33Å; I153-Y155 WeakPolarHBondContact O-CD2 3.4Å; I153-Y155 PolarHBondContact O-N 3.23Å; I153-Q290 HydrophobicContact CD1-CB 3.96Å; I153-Q290 HydrophobicContact CD1-CG 4.49Å; I153-Q290 WeakPolarHBondContact CD1-O 3.49Å; I153-F293 HydrophobicContact CD1-CD1 4.34Å; I153-F293 HydrophobicContact CG1-CD1 4.4Å; I153-L294 HydrophobicContact CD1-CB 4.19Å; I153-L294 HydrophobicContact CG1-CB 4.07Å
154	R	97.8	Very high	95.7	Very high	22 Å²	22	15.9 Å²	15.9	8%	0.083	8%	0.079	C	C	.	.			trans	-84.7	81.4	174.5	-171.9	175.3	170.4	-82.5	9.5	109.9	E156 L177 E184 Y221 L238 W239 A240	R154-E156 PolarHBondContact O-N 3.14Å; R154-L177 VanDerWaalsContact CZ-CD1 3.49Å; R154-E184 IonicContact CZ-OE1 3.33Å; R154-E184 IonicContact CZ-OE2 2.79Å; R154-E184 VanDerWaalsContact NE-CD 3.34Å; R154-E184 IonicContact NE-OE1 3.34Å; R154-E184 PolarHBondContact NE-OE1 3.38Å; R154-E184 IonicContact NE-OE2 3.97Å; R154-E184 PolarHBondContact NE-OE2 2.88Å; R154-E184 IonicContact NH2-OE1 2.8Å; R154-E184 PolarHBondContact NH2-OE1 3.46Å; R154-E184 IonicContact NH2-OE2 3Å; R154-Y221 VanDerWaalsContact CD-CD2 3.42Å; R154-L238 HydrophobicContact CB-CB 3.73Å; R154-L238 HydrophobicContact CG-CB 4.48Å; R154-W239 PolarHBondContact N-O 3.1Å; R154-A240 HydrophobicContact CB-CB 4.38Å
155	Y	96.5	Very high	95.8	Very high	1 Å²	1	21 Å²	21	0%	0.004	10%	0.1	C	C	.	.			trans	-67.6	128.7	179.1	-56.5	-76.7	0	0	0	112	M81 L125 I153 W176 S271 L274	M81-Y155 WeakPolarHBondContact CE-OH 3.46Å; M81-Y155 VanDerWaalsContact O-CE2 3.22Å; M81-Y155 WeakPolarHBondContact O-CE2 3.36Å; M81-Y155 PolarHBondContact O-OH 3.44Å; L125-Y155 HydrophobicContact CD2-CD2 4.42Å; I153-Y155 HydrophobicContact CB-CD1 4.46Å; I153-Y155 HydrophobicContact CB-CD2 4.44Å; I153-Y155 HydrophobicContact CB-CE1 3.94Å; I153-Y155 HydrophobicContact CB-CE2 3.91Å; I153-Y155 HydrophobicContact CD1-CE1 4.31Å; I153-Y155 HydrophobicContact CG2-CD1 3.89Å; I153-Y155 HydrophobicContact CG2-CE1 3.68Å; I153-Y155 HydrophobicContact CG2-CE2 4.36Å; I153-Y155 HydrophobicContact CG2-CG 4.33Å; I153-Y155 WeakPolarHBondContact O-CD2 3.4Å; I153-Y155 PolarHBondContact O-N 3.23Å; Y155-W176 PolarHBondContact O-NE1 2.78Å; Y155-S271 CarbonylContact C-O 3.38Å; Y155-S271 VanDerWaalsContact CA-O 3.27Å; Y155-S271 WeakPolarHBondContact CA-O 3.38Å; Y155-L274 HydrophobicContact CD1-CB 4.13Å; Y155-L274 HydrophobicContact CD2-CB 4.03Å; Y155-L274 HydrophobicContact CD2-CD1 4.33Å; Y155-L274 HydrophobicContact CE1-CB 4.21Å; Y155-L274 HydrophobicContact CE1-CD1 4.27Å; Y155-L274 HydrophobicContact CE2-CB 4.11Å; Y155-L274 HydrophobicContact CE2-CD1 3.6Å; Y155-L274 HydrophobicContact CE2-CG 4.35Å; Y155-L274 HydrophobicContact CG-CB 4.02Å; Y155-L274 WeakPolarHBondContact OH-CD1 3.33Å
156	E	94.2	Very high	95.7	Very high	47 Å²	47	26.9 Å²	26.9	22%	0.22	13%	0.132	C	C	.	.	S	Bend	trans	-73.3	-35.7	-177.6	-67.4	179.7	169	0	0	113.4	R154 W176 L177 K242 S271 R272	R154-E156 PolarHBondContact O-N 3.14Å; E156-W176 PolarHBondContact O-NE1 3.42Å; E156-L177 HydrophobicContact CB-CD1 4.44Å; E156-L177 HydrophobicContact CG-CD1 4.34Å; E156-K242 IonicContact OE1-NZ 3.38Å; E156-S271 PolarHBondContact N-O 3.06Å; E156-R272 PolarHBondContact N-O 2.88Å
157	N	91.7	Very high	95.6	Very high	37 Å²	37	27.5 Å²	27.5	20%	0.198	14%	0.138	C	C	.	.	S	Bend	trans	-123.2	21.4	-172.3	-61.2	-77.4	0	0	0	113.9	P173 D174 R272 V273	N157-P173 HydrophobicContact CB-CB 4.3Å; N157-D174 CarbonylContact C-O 3.6Å; N157-D174 VanDerWaalsContact CA-O 3.27Å; N157-D174 WeakPolarHBondContact CA-O 3.34Å; N157-D174 VanDerWaalsContact O-CB 3.27Å; N157-D174 WeakPolarHBondContact O-CB 3.4Å; N157-D174 PolarHBondContact O-N 3Å; N157-R272 WeakPolarHBondContact CB-O 3.44Å; N157-R272 PolarHBondContact N-O 2.79Å; N157-V273 HydrophobicContact CB-CG2 4.29Å
158	G	90.9	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.			trans	49.7	-146.5	-177.3	0	0	0	0	0	113.7	G124 V273 L274	G124-G158 WeakPolarHBondContact O-CA 3.25Å; G158-V273 CarbonylContact O-C 3.5Å; G158-V273 WeakPolarHBondContact O-CA 3.5Å; G158-V273 WeakPolarHBondContact O-CG1 3.34Å; G158-L274 PolarHBondContact O-N 3.49Å
159	A	87.2	Confident	95.6	Very high	16 Å²	16	31.2 Å²	31.2	13%	0.132	15%	0.152	C	C	.	.	S	Bend	trans	-80.9	-61.4	169.3	0	0	0	0	0	110.4	N127 L274	N127-A159 HydrophobicContact CB-CB 4.18Å; A159-L274 HydrophobicContact CB-CB 4.49Å; A159-L274 HydrophobicContact CB-CD2 4.39Å
160	F	92.1	Very high	95.5	Very high	12 Å²	12	33 Å²	33	5%	0.053	16%	0.164	C	C	.	.			trans	-179.1	154.2	171.5	54.4	-87.2	0	0	0	110.5	Q162 E171 E172 K598 A599 P601	F160-Q162 HydrophobicContact CD2-CB 4.36Å; F160-Q162 HydrophobicContact CE2-CB 4.13Å; F160-Q162 HydrophobicContact CE2-CG 4.37Å; F160-E171 HydrophobicContact CB-CB 3.96Å; F160-E171 HydrophobicContact CB-CG 4.21Å; F160-E171 HydrophobicContact CD1-CG 4.11Å; F160-E171 HydrophobicContact CD2-CB 4.01Å; F160-E171 HydrophobicContact CD2-CG 3.52Å; F160-E171 HydrophobicContact CE1-CG 4.38Å; F160-E171 HydrophobicContact CE2-CG 3.79Å; F160-E171 HydrophobicContact CG-CB 4Å; F160-E171 HydrophobicContact CG-CG 3.69Å; F160-E171 HydrophobicContact CZ-CG 4.22Å; F160-E172 CarbonylContact C-O 3.59Å; F160-E172 WeakPolarHBondContact CA-O 3.32Å; F160-E172 WeakPolarHBondContact CB-O 3.49Å; F160-K598 HydrophobicContact CD2-CD 4.43Å; F160-K598 HydrophobicContact CE2-CB 4.08Å; F160-K598 HydrophobicContact CE2-CD 3.84Å; F160-K598 HydrophobicContact CE2-CG 4.13Å; F160-K598 HydrophobicContact CZ-CB 3.78Å; F160-K598 HydrophobicContact CZ-CD 4Å; F160-K598 HydrophobicContact CZ-CG 4.28Å; F160-K598 PolarHBondContact O-NZ 3.44Å; F160-A599 VanDerWaalsContact CZ-O 3.24Å; F160-A599 WeakPolarHBondContact CZ-O 3.47Å; F160-P601 HydrophobicContact CD1-CG 4.2Å; F160-P601 HydrophobicContact CE1-CG 4.04Å
161	H	93.5	Very high	95.3	Very high	50 Å²	50	35.9 Å²	35.9	23%	0.231	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127	161.8	-167.3	107.9	0	0	0	109.7	E172 N637	H161-E172 HydrophobicContact CB-CB 4.26Å; H161-E172 PolarHBondContact N-O 3.39Å; H161-E172 PolarHBondContact O-N 2.85Å; H161-N637 PolarHBondContact CE1-ND2 2.99Å; H161-N637 PolarHBondContact ND1-ND2 3.28Å; H161-N637 PolarHBondContact NE2-ND2 2.72Å
162	Q	95.8	Very high	95	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.2	-179.4	-168.5	-161.2	35.2	0	0	111.1	F160 Q169 G597 K598 N637	F160-Q162 HydrophobicContact CD2-CB 4.36Å; F160-Q162 HydrophobicContact CE2-CB 4.13Å; F160-Q162 HydrophobicContact CE2-CG 4.37Å; Q162-Q169 HydrophobicContact CG-CG 3.76Å; Q162-G597 PolarHBondContact NE2-O 3.44Å; Q162-G597 PolarHBondContact OE1-O 3.22Å; Q162-K598 HydrophobicContact CB-CD 4.45Å; Q162-K598 HydrophobicContact CB-CG 4.2Å; Q162-N637 HydrophobicContact CB-CB 4.13Å; Q162-N637 PolarHBondContact N-OD1 2.88Å; Q162-N637 WeakPolarHBondContact O-CB 3.37Å
163	M	96	Very high	94.7	Very high	52 Å²	52	44 Å²	44	26%	0.256	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	155.3	166.8	-66.3	-61.1	-83	0	0	110.6	Q169 V170 E172 R636	M163-Q169 WeakPolarHBondContact O-CA 3.44Å; M163-V170 HydrophobicContact CB-CB 4.3Å; M163-V170 PolarHBondContact N-O 3.01Å; M163-V170 PolarHBondContact O-N 3.46Å; M163-E172 HydrophobicContact CG-CG 4.23Å; M163-E172 WeakPolarHBondContact CG-OE2 3.19Å; M163-R636 PolarHBondContact SD-NH1 3.13Å
164	I	96.6	Very high	94.3	Very high	43 Å²	43	45.4 Å²	45.4	22%	0.221	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.5	171.2	-58.2	-64.9	0	0	0	107.6	W168 I610 F634 R636	I164-W168 CarbonylContact C-O 3.51Å; I164-W168 VanDerWaalsContact CA-O 3.26Å; I164-W168 WeakPolarHBondContact CA-O 3.5Å; I164-I610 HydrophobicContact CD1-CG2 3.91Å; I164-F634 HydrophobicContact CD1-CD1 3.94Å; I164-F634 HydrophobicContact CD1-CE1 3.82Å; I164-F634 HydrophobicContact CG1-CD1 4.18Å; I164-F634 HydrophobicContact CG1-CE1 4.42Å; I164-R636 HydrophobicContact CG1-CB 3.62Å
165	K	96.6	Very high	93.9	Very high	138 Å²	138	49.8 Å²	49.8	60%	0.6	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.3	178.4	-174.8	178.6	177.7	-178.4	0	108.9	G167 W168 V170	K165-G167 PolarHBondContact O-N 3.45Å; K165-W168 PolarHBondContact N-O 2.98Å; K165-W168 WeakPolarHBondContact O-CB 3.32Å; K165-W168 PolarHBondContact O-N 2.72Å; K165-V170 HydrophobicContact CB-CG2 3.9Å
166	D	95.1	Very high	93.9	Very high	126 Å²	126	50.6 Å²	50.6	67%	0.674	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	31.4	-176.5	-54.4	-49	0	0	0	113.5	W168 K611	D166-W168 VanDerWaalsContact C-N 3.28Å; D166-W168 PolarHBondContact O-N 3.39Å; D166-K611 PolarHBondContact O-NZ 3.11Å
167	G	96	Very high	93.9	Very high	13 Å²	13	49.7 Å²	49.7	13%	0.134	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-8.2	-176.3	0	0	0	0	0	115.2	K165 K611 N614	K165-G167 PolarHBondContact O-N 3.45Å; G167-K611 VanDerWaalsContact O-CA 3.3Å; G167-K611 WeakPolarHBondContact O-CA 3.35Å; G167-N614 PolarHBondContact O-ND2 3.49Å
168	W	97.8	Very high	94	Very high	70 Å²	70	52.4 Å²	52.4	27%	0.265	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.2	177.1	-68.8	102.6	0	0	0	112.5	I164 K165 D166 K607 M608 K611 L747	I164-W168 CarbonylContact C-O 3.51Å; I164-W168 VanDerWaalsContact CA-O 3.26Å; I164-W168 WeakPolarHBondContact CA-O 3.5Å; K165-W168 PolarHBondContact N-O 2.98Å; K165-W168 WeakPolarHBondContact O-CB 3.32Å; K165-W168 PolarHBondContact O-N 2.72Å; D166-W168 VanDerWaalsContact C-N 3.28Å; D166-W168 PolarHBondContact O-N 3.39Å; W168-K607 HydrophobicContact CZ3-CB 4.46Å; W168-M608 HydrophobicContact CH2-CE 3.93Å; W168-M608 HydrophobicContact CH2-SD 3.81Å; W168-M608 HydrophobicContact CZ3-SD 4.45Å; W168-K611 HydrophobicContact CD2-CB 3.86Å; W168-K611 HydrophobicContact CD2-CD 4.04Å; W168-K611 HydrophobicContact CD2-CG 3.89Å; W168-K611 HydrophobicContact CE3-CB 3.74Å; W168-K611 HydrophobicContact CE3-CG 4.22Å; W168-K611 HydrophobicContact CG-CD 4.13Å; W168-K611 HydrophobicContact CH2-CB 4.13Å; W168-K611 HydrophobicContact CH2-CG 4.08Å; W168-K611 HydrophobicContact CZ2-CB 4.25Å; W168-K611 HydrophobicContact CZ2-CD 4.36Å; W168-K611 HydrophobicContact CZ2-CG 3.75Å; W168-K611 HydrophobicContact CZ3-CB 3.87Å; W168-K611 HydrophobicContact CZ3-CG 4.29Å; W168-L747 HydrophobicContact CH2-CD1 4.1Å; W168-L747 HydrophobicContact CZ2-CD1 3.68Å; W168-L747 HydrophobicContact CZ2-CD2 4.19Å; W168-L747 HydrophobicContact CZ2-CG 4.47Å
169	Q	97.8	Very high	94	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.4	165.8	175.9	173.4	-63	0	0	110.2	Q162 M163 E171 A599 I610	Q162-Q169 HydrophobicContact CG-CG 3.76Å; M163-Q169 WeakPolarHBondContact O-CA 3.44Å; Q169-E171 WeakPolarHBondContact CG-OE1 3.41Å; Q169-E171 PolarHBondContact NE2-OE1 2.56Å; Q169-A599 PolarHBondContact NE2-O 2.83Å; Q169-I610 HydrophobicContact CB-CD1 4.12Å; Q169-I610 VanDerWaalsContact OE1-CD1 3.24Å
170	V	96.3	Very high	94.3	Very high	54 Å²	54	60.9 Å²	60.9	33%	0.327	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.7	168.6	179.1	0	0	0	0	108.1	M163 K165	M163-V170 HydrophobicContact CB-CB 4.3Å; M163-V170 PolarHBondContact N-O 3.01Å; M163-V170 PolarHBondContact O-N 3.46Å; K165-V170 HydrophobicContact CB-CG2 3.9Å
171	E	94	Very high	94.5	Very high	60 Å²	60	61.7 Å²	61.7	28%	0.28	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126	177	-63.1	84.1	-161	0	0	111.1	F160 Q169 P601 K607	F160-E171 HydrophobicContact CB-CB 3.96Å; F160-E171 HydrophobicContact CB-CG 4.21Å; F160-E171 HydrophobicContact CD1-CG 4.11Å; F160-E171 HydrophobicContact CD2-CB 4.01Å; F160-E171 HydrophobicContact CD2-CG 3.52Å; F160-E171 HydrophobicContact CE1-CG 4.38Å; F160-E171 HydrophobicContact CE2-CG 3.79Å; F160-E171 HydrophobicContact CG-CB 4Å; F160-E171 HydrophobicContact CG-CG 3.69Å; F160-E171 HydrophobicContact CZ-CG 4.22Å; Q169-E171 WeakPolarHBondContact CG-OE1 3.41Å; Q169-E171 PolarHBondContact NE2-OE1 2.56Å; E171-P601 HydrophobicContact CG-CB 4.35Å; E171-P601 HydrophobicContact CG-CG 4.11Å; E171-K607 WeakPolarHBondContact OE1-CE 3.44Å; E171-K607 IonicContact OE1-NZ 3.21Å; E171-K607 PolarHBondContact OE1-NZ 3.25Å; E171-K607 IonicContact OE2-NZ 2.7Å; E171-K607 PolarHBondContact OE2-NZ 2.98Å
172	E	92.9	Very high	94.5	Very high	90 Å²	90	60 Å²	60	42%	0.421	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	155.2	169.6	-69.9	176.6	175.9	0	0	109.4	F160 H161 M163	F160-E172 CarbonylContact C-O 3.59Å; F160-E172 WeakPolarHBondContact CA-O 3.32Å; F160-E172 WeakPolarHBondContact CB-O 3.49Å; H161-E172 HydrophobicContact CB-CB 4.26Å; H161-E172 PolarHBondContact N-O 3.39Å; H161-E172 PolarHBondContact O-N 2.85Å; M163-E172 HydrophobicContact CG-CG 4.23Å; M163-E172 WeakPolarHBondContact CG-OE2 3.19Å
173	P	90.5	Very high	94.6	Very high	83 Å²	83	60.2 Å²	60.2	54%	0.539	31%	0.308	S	S	.	.			trans	-56.9	139.2	173.5	-24.2	34.9	0	0	0	112.2	N157 E175	N157-P173 HydrophobicContact CB-CB 4.3Å; P173-E175 HydrophobicContact CB-CG 4.19Å; P173-E175 PolarHBondContact O-N 2.9Å
174	D	90.9	Very high	94.6	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.171	30%	0.301	C	S	.	.			trans	-87.5	85.4	173	-171.2	16.5	0	0	0	109.7	N157 W176	N157-D174 CarbonylContact C-O 3.6Å; N157-D174 VanDerWaalsContact CA-O 3.27Å; N157-D174 WeakPolarHBondContact CA-O 3.34Å; N157-D174 VanDerWaalsContact O-CB 3.27Å; N157-D174 WeakPolarHBondContact O-CB 3.4Å; N157-D174 PolarHBondContact O-N 3Å; D174-W176 PolarHBondContact O-N 3.33Å
175	E	90.1	Very high	94.6	Very high	114 Å²	114	61 Å²	61	53%	0.533	31%	0.309	S	S	.	.			trans	-74.6	42.6	-172.6	-54.6	-174.9	138.8	0	0	113.8	P173 L177 L178	P173-E175 HydrophobicContact CB-CG 4.19Å; P173-E175 PolarHBondContact O-N 2.9Å; E175-L177 PolarHBondContact O-N 2.91Å; E175-L178 HydrophobicContact CB-CB 4.1Å; E175-L178 WeakPolarHBondContact O-CB 3.47Å; E175-L178 PolarHBondContact O-N 3.22Å
176	W	95.2	Very high	94.6	Very high	17 Å²	17	58.2 Å²	58.2	6%	0.064	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.1	-174.5	76.2	-76.3	0	0	0	114.2	C121 A123 L125 Y155 E156 D174 N181	C121-W176 HydrophobicContact CB-CB 4.3Å; A123-W176 HydrophobicContact CB-CE3 4.01Å; A123-W176 HydrophobicContact CB-CH2 4.18Å; A123-W176 HydrophobicContact CB-CZ3 3.75Å; L125-W176 HydrophobicContact CD1-CH2 4.17Å; L125-W176 HydrophobicContact CD1-CZ2 4.45Å; L125-W176 HydrophobicContact CD2-CH2 4.27Å; L125-W176 HydrophobicContact CD2-CZ2 3.76Å; L125-W176 HydrophobicContact CG-CH2 4.12Å; L125-W176 HydrophobicContact CG-CZ2 3.91Å; Y155-W176 PolarHBondContact O-NE1 2.78Å; E156-W176 PolarHBondContact O-NE1 3.42Å; D174-W176 PolarHBondContact O-N 3.33Å; W176-N181 HydrophobicContact CZ3-CB 4.27Å
177	L	95.7	Very high	94.7	Very high	28 Å²	28	55.4 Å²	55.4	15%	0.147	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	0.1	176.7	-66.4	177.2	0	0	0	114.4	R154 E156 E175 Y179 G180 N181	R154-L177 VanDerWaalsContact CZ-CD1 3.49Å; E156-L177 HydrophobicContact CB-CD1 4.44Å; E156-L177 HydrophobicContact CG-CD1 4.34Å; E175-L177 PolarHBondContact O-N 2.91Å; L177-Y179 PolarHBondContact O-N 3.43Å; L177-G180 PolarHBondContact O-N 2.86Å; L177-N181 HydrophobicContact CD2-CB 3.83Å
178	L	92.8	Very high	94.7	Very high	95 Å²	95	58.3 Å²	58.3	50%	0.497	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.4	-174.2	-179.9	59.8	0	0	0	113.2	E175	E175-L178 HydrophobicContact CB-CB 4.1Å; E175-L178 WeakPolarHBondContact O-CB 3.47Å; E175-L178 PolarHBondContact O-N 3.22Å
179	Y	91.7	Very high	94.6	Very high	150 Å²	150	61 Å²	61	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	18.2	-178.7	-52.3	-67.4	0	0	0	113	R43 L177	R43-Y179 VanDerWaalsContact CZ-CE2 3.41Å; R43-Y179 VanDerWaalsContact NH1-CE2 3.25Å; L177-Y179 PolarHBondContact O-N 3.43Å
180	G	92.8	Very high	94.5	Very high	44 Å²	44	61.5 Å²	61.5	45%	0.454	31%	0.314	S	S	.	.			trans	78.1	174.5	-173.3	0	0	0	0	0	113.5	L177	L177-G180 PolarHBondContact O-N 2.86Å
181	N	95.5	Very high	94.6	Very high	28 Å²	28	61.4 Å²	61.4	15%	0.15	31%	0.314	C	S	.	.			trans	-126.7	112.1	177.5	172.7	13.8	0	0	0	108.9	W176 L177 W183 E184	W176-N181 HydrophobicContact CZ3-CB 4.27Å; L177-N181 HydrophobicContact CD2-CB 3.83Å; N181-W183 PolarHBondContact O-N 2.91Å; N181-W183 WeakPolarHBondContact OD1-CB 3.29Å; N181-W183 VanDerWaalsContact OD1-CD1 3.27Å; N181-W183 PolarHBondContact OD1-N 2.73Å; N181-W183 VanDerWaalsContact OD1-N 3.12Å; N181-E184 HydrophobicContact CB-CG 3.95Å; N181-E184 PolarHBondContact ND2-OE2 3.16Å; N181-E184 VanDerWaalsContact ND2-OE2 3.16Å
182	P	95	Very high	94.7	Very high	14 Å²	14	60 Å²	60	9%	0.091	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12	-175.8	28.9	-34.6	0	0	0	113.5	Y46 A50 R51	Y46-P182 HydrophobicContact CE1-CG 4.34Å; A50-P182 HydrophobicContact CB-CB 3.95Å; A50-P182 HydrophobicContact CB-CG 3.75Å; R51-P182 PolarHBondContact NH1-O 3.02Å
183	W	96.7	Very high	94.9	Very high	5 Å²	5	58.5 Å²	58.5	2%	0.019	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-24.2	-174.4	-55.8	111.4	0	0	0	114.2	A50 V53 L57 T88 L89 T92 E120 N181 V223 P224	A50-W183 HydrophobicContact CB-CH2 4.01Å; A50-W183 HydrophobicContact CB-CZ2 3.76Å; V53-W183 HydrophobicContact CB-CH2 4.1Å; V53-W183 HydrophobicContact CB-CZ3 4.32Å; V53-W183 HydrophobicContact CG1-CH2 3.97Å; V53-W183 HydrophobicContact CG1-CZ3 4.02Å; L57-W183 HydrophobicContact CD1-CZ3 4.44Å; T88-W183 HydrophobicContact CG2-CB 4.47Å; T88-W183 HydrophobicContact CG2-CD2 3.6Å; T88-W183 HydrophobicContact CG2-CE3 3.93Å; T88-W183 HydrophobicContact CG2-CG 3.83Å; T88-W183 HydrophobicContact CG2-CZ2 4.42Å; T88-W183 HydrophobicContact CG2-CZ3 4.47Å; L89-W183 VanDerWaalsContact CA-CZ2 3.48Å; L89-W183 HydrophobicContact CB-CH2 4.32Å; L89-W183 HydrophobicContact CB-CZ2 3.75Å; L89-W183 HydrophobicContact CD1-CH2 3.75Å; L89-W183 HydrophobicContact CD1-CZ2 3.88Å; L89-W183 HydrophobicContact CG-CZ2 4.41Å; T92-W183 HydrophobicContact CG2-CZ3 4.17Å; E120-W183 PolarHBondContact OE1-NE1 2.78Å; N181-W183 PolarHBondContact O-N 2.91Å; N181-W183 WeakPolarHBondContact OD1-CB 3.29Å; N181-W183 VanDerWaalsContact OD1-CD1 3.27Å; N181-W183 PolarHBondContact OD1-N 2.73Å; N181-W183 VanDerWaalsContact OD1-N 3.12Å; W183-V223 HydrophobicContact CB-CG1 4.44Å; W183-P224 VanDerWaalsContact O-CD 3.24Å; W183-P224 WeakPolarHBondContact O-CD 3.42Å
184	E	96.6	Very high	95.2	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.103	28%	0.275	C	S	.	.			trans	-90.1	153.6	-175.2	68.1	-172.4	-166.6	0	0	113.1	R154 N181 Y221 E222 V223	R154-E184 IonicContact CZ-OE1 3.33Å; R154-E184 IonicContact CZ-OE2 2.79Å; R154-E184 VanDerWaalsContact NE-CD 3.34Å; R154-E184 IonicContact NE-OE1 3.34Å; R154-E184 PolarHBondContact NE-OE1 3.38Å; R154-E184 IonicContact NE-OE2 3.97Å; R154-E184 PolarHBondContact NE-OE2 2.88Å; R154-E184 IonicContact NH2-OE1 2.8Å; R154-E184 PolarHBondContact NH2-OE1 3.46Å; R154-E184 IonicContact NH2-OE2 3Å; N181-E184 HydrophobicContact CB-CG 3.95Å; N181-E184 PolarHBondContact ND2-OE2 3.16Å; N181-E184 VanDerWaalsContact ND2-OE2 3.16Å; E184-Y221 HydrophobicContact CB-CD1 4.4Å; E184-Y221 HydrophobicContact CG-CD1 3.98Å; E184-E222 CarbonylContact C-O 3.52Å; E184-E222 VanDerWaalsContact CA-O 3.25Å; E184-E222 WeakPolarHBondContact CA-O 3.49Å; E184-V223 HydrophobicContact CB-CG2 4.03Å
185	K	96.9	Very high	95.4	Very high	90 Å²	90	55.7 Å²	55.7	39%	0.391	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.4	171.5	177	58.3	-177	172.2	0	110	W61 Y221 E222	W61-K185 HydrophobicContact CH2-CB 4.45Å; W61-K185 HydrophobicContact CZ3-CB 4.46Å; K185-Y221 WeakPolarHBondContact O-CA 3.44Å; K185-E222 PolarHBondContact N-O 2.97Å; K185-E222 PolarHBondContact O-N 3.29Å
186	E	97.4	Very high	95.7	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.2	171.5	-164.9	-178.3	142.2	0	0	111.4	L219 Y221	E186-L219 HydrophobicContact CG-CD1 4.07Å; E186-L219 HydrophobicContact CG-CD2 4.15Å; E186-L219 HydrophobicContact CG-CG 4.23Å; E186-Y221 HydrophobicContact CB-CD1 3.98Å; E186-Y221 HydrophobicContact CB-CE1 3.59Å; E186-Y221 VanDerWaalsContact CD-OH 3.24Å; E186-Y221 HydrophobicContact CG-CD1 4.31Å; E186-Y221 HydrophobicContact CG-CE1 3.71Å; E186-Y221 HydrophobicContact CG-CE2 4.09Å; E186-Y221 PolarHBondContact OE2-OH 2.97Å
187	R	97	Very high	95.8	Very high	67 Å²	67	51.5 Å²	51.5	25%	0.253	26%	0.259	S	S	.	.			trans	-126	67.8	-179.1	-65.3	-63.5	-175.1	-167.6	0.7	111.7	E189 S190 P220 E222	R187-E189 VanDerWaalsContact C-OE2 3.24Å; R187-E189 WeakPolarHBondContact CA-OE2 3.35Å; R187-E189 VanDerWaalsContact CD-OE1 3.23Å; R187-E189 WeakPolarHBondContact CD-OE1 3.16Å; R187-E189 IonicContact NH1-OE1 2.78Å; R187-E189 PolarHBondContact O-N 2.71Å; R187-E189 VanDerWaalsContact O-N 3.12Å; R187-S190 PolarHBondContact O-N 2.67Å; R187-P220 HydrophobicContact CB-CB 4.48Å; R187-P220 HydrophobicContact CB-CG 4Å; R187-P220 PolarHBondContact N-O 2.73Å; R187-P220 WeakPolarHBondContact O-CG 3.27Å; R187-E222 HydrophobicContact CG-CG 3.93Å; R187-E222 WeakPolarHBondContact CG-OE2 3.28Å; R187-E222 IonicContact CZ-OE2 3.48Å; R187-E222 IonicContact NE-OE2 3.71Å; R187-E222 PolarHBondContact NE-OE2 2.83Å; R187-E222 IonicContact NH2-OE2 2.78Å; R187-E222 PolarHBondContact NH2-OE2 2.82Å
188	P	96.2	Very high	95.8	Very high	73 Å²	73	51.5 Å²	51.5	47%	0.474	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56.9	-30	-177.9	25.5	-35.2	0	0	0	113.3	S190 T191 L219	P188-S190 PolarHBondContact O-N 3.1Å; P188-S190 VanDerWaalsContact O-N 3.16Å; P188-T191 WeakPolarHBondContact O-CB 2.85Å; P188-T191 PolarHBondContact O-N 2.94Å; P188-T191 PolarHBondContact O-OG1 3.16Å; P188-L219 HydrophobicContact CB-CD1 4.15Å
189	E	95.4	Very high	96	Very high	126 Å²	126	53.1 Å²	53.1	59%	0.589	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-60.8	-19.7	175.9	66.6	-88	-154.7	0	0	114.3	R187	R187-E189 VanDerWaalsContact C-OE2 3.24Å; R187-E189 WeakPolarHBondContact CA-OE2 3.35Å; R187-E189 VanDerWaalsContact CD-OE1 3.23Å; R187-E189 WeakPolarHBondContact CD-OE1 3.16Å; R187-E189 IonicContact NH1-OE1 2.78Å; R187-E189 PolarHBondContact O-N 2.71Å; R187-E189 VanDerWaalsContact O-N 3.12Å
190	S	95.4	Very high	96.3	Very high	20 Å²	20	47.4 Å²	47.4	14%	0.14	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-107	16.6	-178.5	-62	0	0	0	0	113.2	R187 P188 R192	R187-S190 PolarHBondContact O-N 2.67Å; P188-S190 PolarHBondContact O-N 3.1Å; P188-S190 VanDerWaalsContact O-N 3.16Å; S190-R192 PolarHBondContact O-N 3.18Å
191	T	97.3	Very high	96.4	Very high	52 Å²	52	48.2 Å²	48.2	32%	0.319	24%	0.239	S	C	.	.			trans	-59.1	134.1	179	-59.5	0	0	0	0	111.6	P188 C217 A218	P188-T191 WeakPolarHBondContact O-CB 2.85Å; P188-T191 PolarHBondContact O-N 2.94Å; P188-T191 PolarHBondContact O-OG1 3.16Å; T191-C217 HydrophobicContact CG2-CB 3.92Å; T191-A218 WeakPolarHBondContact CA-O 3.45Å
192	R	96.7	Very high	96.3	Very high	30 Å²	30	53 Å²	53	11%	0.113	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	160.9	175.6	-55	-56.9	176.9	-147.7	-2.1	111.6	S190 C217 A218 W239 Q300 D301 Y304	S190-R192 PolarHBondContact O-N 3.18Å; R192-C217 CarbonylContact O-C 3.46Å; R192-C217 WeakPolarHBondContact O-CA 3.28Å; R192-A218 HydrophobicContact CB-CB 4.36Å; R192-A218 PolarHBondContact N-O 3.08Å; R192-A218 PolarHBondContact O-N 2.97Å; R192-W239 HydrophobicContact CG-CH2 4.02Å; R192-W239 HydrophobicContact CG-CZ3 4.17Å; R192-Q300 HydrophobicContact CG-CB 4.19Å; R192-D301 IonicContact CZ-OD1 3.9Å; R192-D301 IonicContact NE-OD1 2.63Å; R192-D301 IonicContact NH2-OD1 2.89Å; R192-D301 PolarHBondContact NH2-OD1 2.92Å; R192-D301 VanDerWaalsContact NH2-OD1 3.07Å; R192-Y304 VanDerWaalsContact NH2-CG 3.34Å
193	I	96.4	Very high	96	Very high	59 Å²	59	54.9 Å²	54.9	30%	0.303	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.5	176.5	-58.4	-61.4	0	0	0	108.6	T215 Q300	I193-T215 HydrophobicContact CG2-CG2 4.06Å; I193-Q300 PolarHBondContact O-NE2 3.23Å; I193-Q300 PolarHBondContact O-OE1 2.95Å
194	V	97.1	Very high	95.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.2	175.6	-179.1	0	0	0	0	109.1	F196 T215 I216 A218 Y292 F293 A297	V194-F196 HydrophobicContact CB-CE2 4.4Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 3.66Å; V194-F196 HydrophobicContact CG1-CZ 3.75Å; V194-T215 CarbonylContact O-C 3.59Å; V194-T215 WeakPolarHBondContact O-CA 3.48Å; V194-I216 PolarHBondContact N-O 3.12Å; V194-I216 PolarHBondContact O-N 3.21Å; V194-A218 HydrophobicContact CG2-CB 4.18Å; V194-Y292 HydrophobicContact CG1-CD1 3.92Å; V194-Y292 HydrophobicContact CG1-CE1 3.82Å; V194-F293 HydrophobicContact CB-CD2 4.12Å; V194-F293 HydrophobicContact CG1-CD2 4.35Å; V194-F293 HydrophobicContact CG2-CD2 3.84Å; V194-F293 HydrophobicContact CG2-CE2 4.21Å; V194-A297 HydrophobicContact CG2-CB 4.1Å
195	Q	96	Very high	95	Very high	55 Å²	55	67.2 Å²	67.2	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.7	-177.4	-71.6	175.9	-24.7	0	0	111.4	W210 T213 E214 T215 Y292	Q195-W210 HydrophobicContact CB-CE3 4.01Å; Q195-W210 HydrophobicContact CB-CH2 3.83Å; Q195-W210 HydrophobicContact CB-CZ2 4.49Å; Q195-W210 HydrophobicContact CB-CZ3 3.53Å; Q195-W210 WeakPolarHBondContact O-CH2 3.08Å; Q195-T213 HydrophobicContact CB-CG2 4.02Å; Q195-T213 HydrophobicContact CG-CG2 4.38Å; Q195-T213 WeakPolarHBondContact CG-OG1 3.43Å; Q195-E214 CarbonylContact C-O 3.58Å; Q195-E214 VanDerWaalsContact CA-O 3.28Å; Q195-E214 WeakPolarHBondContact CA-O 3.26Å; Q195-T215 HydrophobicContact CG-CG2 4.24Å; Q195-Y292 WeakPolarHBondContact O-CE1 3.12Å
196	F	95.8	Very high	94.2	Very high	1 Å²	1	67.9 Å²	67.9	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	158.7	173.1	-65.1	-79.1	0	0	0	110.7	V194 T213 E214 I216 I270 K289 Y292 F293 V384	V194-F196 HydrophobicContact CB-CE2 4.4Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 3.66Å; V194-F196 HydrophobicContact CG1-CZ 3.75Å; F196-T213 CarbonylContact O-C 3.55Å; F196-T213 VanDerWaalsContact O-CA 3.24Å; F196-T213 WeakPolarHBondContact O-CA 3.29Å; F196-T213 WeakPolarHBondContact O-CB 3.49Å; F196-E214 PolarHBondContact N-O 2.96Å; F196-E214 PolarHBondContact O-N 2.81Å; F196-I216 HydrophobicContact CD2-CD1 3.94Å; F196-I216 HydrophobicContact CD2-CG1 4.34Å; F196-I216 HydrophobicContact CE2-CB 4.48Å; F196-I216 HydrophobicContact CE2-CD1 3.78Å; F196-I216 HydrophobicContact CE2-CG1 4.32Å; F196-I270 HydrophobicContact CE2-CD1 3.81Å; F196-I270 HydrophobicContact CZ-CD1 3.9Å; F196-K289 HydrophobicContact CD1-CB 4.5Å; F196-K289 HydrophobicContact CD1-CG 3.95Å; F196-K289 HydrophobicContact CE1-CB 3.83Å; F196-K289 HydrophobicContact CE1-CG 3.79Å; F196-K289 HydrophobicContact CZ-CB 4.12Å; F196-K289 HydrophobicContact CZ-CG 4.38Å; F196-K289 WeakPolarHBondContact CZ-O 3.38Å; F196-Y292 HydrophobicContact CD1-CD1 4.02Å; F196-Y292 AromaticContact CE1-CD1 3.51Å; F196-Y292 HydrophobicContact CE1-CD1 3.51Å; F196-Y292 HydrophobicContact CE1-CE1 4.47Å; F196-Y292 HydrophobicContact CE1-CG 4.24Å; F196-Y292 HydrophobicContact CZ-CD1 4.01Å; F196-F293 HydrophobicContact CZ-CB 4.18Å; F196-V384 HydrophobicContact CD1-CG1 3.91Å
197	Y	96.6	Very high	93.8	Very high	42 Å²	42	67.9 Å²	67.9	17%	0.165	33%	0.333	C	S	.	.	S	Bend	trans	59.1	-134.5	177	-50.7	-69.8	0	0	0	113.3	W210 E214 E285 K289 R383 V384 P386	Y197-W210 VanDerWaalsContact O-CE2 3.24Å; Y197-W210 VanDerWaalsContact O-CZ2 3.31Å; Y197-W210 WeakPolarHBondContact O-CZ2 3.22Å; Y197-W210 PolarHBondContact O-NE1 3.23Å; Y197-E214 HydrophobicContact CD2-CB 4.22Å; Y197-E214 HydrophobicContact CD2-CG 3.98Å; Y197-E214 VanDerWaalsContact CE2-OE2 3.32Å; Y197-E214 WeakPolarHBondContact CE2-OE2 3.48Å; Y197-E285 WeakPolarHBondContact CE1-OE1 3.26Å; Y197-E285 VanDerWaalsContact CZ-OE1 3.31Å; Y197-E285 PolarHBondContact OH-OE1 3.06Å; Y197-K289 WeakPolarHBondContact OH-CE 3.41Å; Y197-K289 PolarHBondContact OH-NZ 2.8Å; Y197-R383 HydrophobicContact CD1-CG 4.3Å; Y197-V384 WeakPolarHBondContact CA-O 3.45Å; Y197-V384 HydrophobicContact CD1-CG2 4.34Å; Y197-V384 HydrophobicContact CE1-CB 4.48Å; Y197-V384 HydrophobicContact CE1-CG2 3.88Å; Y197-V384 PolarHBondContact N-O 2.51Å; Y197-P386 WeakPolarHBondContact O-CD 3.36Å
198	G	95.9	Very high	93.6	Very high	29 Å²	29	65 Å²	65	30%	0.299	32%	0.323	S	S	.	.			trans	68.6	-154.4	-179.9	0	0	0	0	0	113.5	I211 D212	G198-I211 CarbonylContact C-O 3.59Å; G198-I211 VanDerWaalsContact CA-O 3.26Å; G198-I211 WeakPolarHBondContact CA-O 3.25Å; G198-D212 WeakPolarHBondContact CA-O 3.49Å
199	R	97.4	Very high	93.6	Very high	129 Å²	129	67.7 Å²	67.7	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.1	-176.5	63.1	-176.4	175.5	101	6.1	111.9	I201 I211 D212	R199-I201 VanDerWaalsContact NH1-CG2 3.25Å; R199-I211 HydrophobicContact CG-CG1 4.15Å; R199-I211 PolarHBondContact N-O 2.91Å; R199-I211 PolarHBondContact O-N 3.35Å; R199-D212 IonicContact CZ-OD2 2.62Å; R199-D212 IonicContact NE-OD2 3.34Å; R199-D212 PolarHBondContact NE-OD2 2.92Å; R199-D212 IonicContact NH2-OD2 3.61Å; R199-D212 PolarHBondContact NH2-OD2 3.08Å
200	V	97.3	Very high	93.6	Very high	30 Å²	30	62.6 Å²	62.6	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.2	175	-174.2	0	0	0	0	109.5	C208 K209 P386 R387	V200-C208 HydrophobicContact CG1-CB 3.89Å; V200-K209 WeakPolarHBondContact CA-O 3.41Å; V200-P386 HydrophobicContact CG2-CB 4.35Å; V200-R387 HydrophobicContact CG2-CB 3.72Å; V200-R387 HydrophobicContact CG2-CG 4.37Å
201	I	96.3	Very high	93.7	Very high	61 Å²	61	63.8 Å²	63.8	31%	0.313	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.3	164.6	59.6	165.1	0	0	0	109.4	R199 C208 K209 I211	R199-I201 VanDerWaalsContact NH1-CG2 3.25Å; I201-C208 CarbonylContact O-C 3.6Å; I201-C208 WeakPolarHBondContact O-CA 3.27Å; I201-K209 HydrophobicContact CD1-CB 4.32Å; I201-K209 HydrophobicContact CG1-CB 3.88Å; I201-K209 PolarHBondContact N-O 3.33Å; I201-K209 PolarHBondContact O-N 3.28Å; I201-I211 HydrophobicContact CB-CD1 4.45Å; I201-I211 HydrophobicContact CD1-CD1 3.73Å; I201-I211 HydrophobicContact CD1-CG1 4.36Å; I201-I211 HydrophobicContact CD1-CG2 4.22Å; I201-I211 HydrophobicContact CG1-CD1 3.96Å; I201-I211 HydrophobicContact CG1-CG1 4.14Å; I201-I211 HydrophobicContact CG1-CG2 4.27Å; I201-I211 HydrophobicContact CG2-CD1 3.65Å; I201-I211 HydrophobicContact CG2-CG1 4.08Å
202	R	94.1	Very high	93.5	Very high	128 Å²	128	66.4 Å²	66.4	48%	0.483	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.5	175.3	-68.6	177.9	177.1	-129.9	0.7	109.4	D206 Q207 E390	R202-D206 WeakPolarHBondContact CD-OD1 3.47Å; R202-D206 IonicContact CZ-OD1 3.97Å; R202-D206 IonicContact NH1-OD1 2.7Å; R202-D206 PolarHBondContact NH1-OD1 3.21Å; R202-D206 IonicContact NH1-OD2 3.62Å; R202-Q207 WeakPolarHBondContact CA-O 3.49Å; R202-E390 IonicContact CZ-OE2 3.2Å; R202-E390 IonicContact NE-OE2 2.81Å; R202-E390 IonicContact NH2-OE2 2.79Å; R202-E390 PolarHBondContact NH2-OE2 2.92Å
203	N	88.5	Confident	93.4	Very high	53 Å²	53	66.4 Å²	66.4	28%	0.283	32%	0.322	S	S	.	.			trans	-86.6	179.6	171.6	74.6	8.9	0	0	0	111	L205 D206 Q207	N203-L205 PolarHBondContact O-N 3.44Å; N203-L205 WeakPolarHBondContact OD1-CA 3.41Å; N203-L205 WeakPolarHBondContact OD1-CB 3.36Å; N203-L205 PolarHBondContact OD1-N 2.93Å; N203-D206 PolarHBondContact O-N 3.49Å; N203-D206 VanDerWaalsContact O-N 3.1Å; N203-D206 PolarHBondContact OD1-N 3.22Å; N203-Q207 PolarHBondContact N-O 3.23Å; N203-Q207 PolarHBondContact ND2-OE1 2.85Å; N203-Q207 WeakPolarHBondContact OD1-CB 3.39Å; N203-Q207 PolarHBondContact OD1-N 2.9Å; N203-Q207 PolarHBondContact OD1-O 3.34Å
204	H	87.2	Confident	93.1	Very high	173 Å²	173	68.7 Å²	68.7	80%	0.801	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.8	179.7	58.4	-86	0	0	0	114.2
205	L	83.2	Confident	92.8	Very high	114 Å²	114	70.7 Å²	70.7	60%	0.597	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	13.5	174.5	-56.7	175.9	0	0	0	111.9	N203 Q207	N203-L205 PolarHBondContact O-N 3.44Å; N203-L205 WeakPolarHBondContact OD1-CA 3.41Å; N203-L205 WeakPolarHBondContact OD1-CB 3.36Å; N203-L205 PolarHBondContact OD1-N 2.93Å; L205-Q207 HydrophobicContact CB-CG 4.16Å; L205-Q207 PolarHBondContact O-N 3.13Å; L205-Q207 VanDerWaalsContact O-N 3.12Å
206	D	81.6	Confident	92.7	Very high	103 Å²	103	68.4 Å²	68.4	55%	0.551	33%	0.333	S	S	*	.			trans	57.8	16.4	-172.8	-157.6	34.9	0	0	0	114.8	R202 N203	R202-D206 WeakPolarHBondContact CD-OD1 3.47Å; R202-D206 IonicContact CZ-OD1 3.97Å; R202-D206 IonicContact NH1-OD1 2.7Å; R202-D206 PolarHBondContact NH1-OD1 3.21Å; R202-D206 IonicContact NH1-OD2 3.62Å; N203-D206 PolarHBondContact O-N 3.49Å; N203-D206 VanDerWaalsContact O-N 3.1Å; N203-D206 PolarHBondContact OD1-N 3.22Å
207	Q	87.6	Confident	92.6	Very high	81 Å²	81	69.3 Å²	69.3	38%	0.379	34%	0.339	S	S	.	.			trans	-76.1	129.9	172.5	-56.3	174.9	-46.1	0	0	109.6	R202 N203 L205	R202-Q207 WeakPolarHBondContact CA-O 3.49Å; N203-Q207 PolarHBondContact N-O 3.23Å; N203-Q207 PolarHBondContact ND2-OE1 2.85Å; N203-Q207 WeakPolarHBondContact OD1-CB 3.39Å; N203-Q207 PolarHBondContact OD1-N 2.9Å; N203-Q207 PolarHBondContact OD1-O 3.34Å; L205-Q207 HydrophobicContact CB-CG 4.16Å; L205-Q207 PolarHBondContact O-N 3.13Å; L205-Q207 VanDerWaalsContact O-N 3.12Å
208	C	94.3	Very high	92.7	Very high	6 Å²	6	67.3 Å²	67.3	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.8	179.8	-66.6	0	0	0	0	110.8	V200 I201	V200-C208 HydrophobicContact CG1-CB 3.89Å; I201-C208 CarbonylContact O-C 3.6Å; I201-C208 WeakPolarHBondContact O-CA 3.27Å
209	K	94.6	Very high	92.7	Very high	129 Å²	129	66.6 Å²	66.6	56%	0.561	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.6	165.5	-65	-174.1	176.7	-176.1	0	109.8	V200 I201 I211	V200-K209 WeakPolarHBondContact CA-O 3.41Å; I201-K209 HydrophobicContact CD1-CB 4.32Å; I201-K209 HydrophobicContact CG1-CB 3.88Å; I201-K209 PolarHBondContact N-O 3.33Å; I201-K209 PolarHBondContact O-N 3.28Å; K209-I211 HydrophobicContact CB-CG2 4.04Å
210	W	97	Very high	92.8	Very high	19 Å²	19	60.4 Å²	60.4	7%	0.072	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114	172.3	-170.1	25.3	0	0	0	109.3	Q195 Y197 T213 Y292 L385 R387 H388	Q195-W210 HydrophobicContact CB-CE3 4.01Å; Q195-W210 HydrophobicContact CB-CH2 3.83Å; Q195-W210 HydrophobicContact CB-CZ2 4.49Å; Q195-W210 HydrophobicContact CB-CZ3 3.53Å; Q195-W210 WeakPolarHBondContact O-CH2 3.08Å; Y197-W210 VanDerWaalsContact O-CE2 3.24Å; Y197-W210 VanDerWaalsContact O-CZ2 3.31Å; Y197-W210 WeakPolarHBondContact O-CZ2 3.22Å; Y197-W210 PolarHBondContact O-NE1 3.23Å; W210-T213 HydrophobicContact CD2-CG2 3.76Å; W210-T213 HydrophobicContact CE3-CG2 4.41Å; W210-T213 HydrophobicContact CG-CG2 3.93Å; W210-T213 HydrophobicContact CZ2-CG2 4.1Å; W210-Y292 HydrophobicContact CH2-CE1 4.14Å; W210-Y292 HydrophobicContact CZ3-CE1 4.33Å; W210-Y292 WeakPolarHBondContact CZ3-OH 3.3Å; W210-L385 HydrophobicContact CH2-CD2 3.86Å; W210-L385 HydrophobicContact CZ2-CD2 4.32Å; W210-R387 HydrophobicContact CB-CB 4.37Å; W210-R387 HydrophobicContact CG-CB 4.25Å; W210-H388 AromaticContact CH2-CE1 3.97Å; W210-H388 AromaticContact CZ3-CE1 3.71Å
211	I	96	Very high	92.8	Very high	45 Å²	45	60 Å²	60	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	173.4	-170.9	65.1	160.3	0	0	0	111.4	G198 R199 I201 K209 T213	G198-I211 CarbonylContact C-O 3.59Å; G198-I211 VanDerWaalsContact CA-O 3.26Å; G198-I211 WeakPolarHBondContact CA-O 3.25Å; R199-I211 HydrophobicContact CG-CG1 4.15Å; R199-I211 PolarHBondContact N-O 2.91Å; R199-I211 PolarHBondContact O-N 3.35Å; I201-I211 HydrophobicContact CB-CD1 4.45Å; I201-I211 HydrophobicContact CD1-CD1 3.73Å; I201-I211 HydrophobicContact CD1-CG1 4.36Å; I201-I211 HydrophobicContact CD1-CG2 4.22Å; I201-I211 HydrophobicContact CG1-CD1 3.96Å; I201-I211 HydrophobicContact CG1-CG1 4.14Å; I201-I211 HydrophobicContact CG1-CG2 4.27Å; I201-I211 HydrophobicContact CG2-CD1 3.65Å; I201-I211 HydrophobicContact CG2-CG1 4.08Å; K209-I211 HydrophobicContact CB-CG2 4.04Å; I211-T213 PolarHBondContact O-N 2.8Å
212	D	94.4	Very high	92.9	Very high	108 Å²	108	57.6 Å²	57.6	58%	0.578	28%	0.28	S	S	*	.	S	Bend	trans	56.9	31.4	-180	-54.5	-24.2	0	0	0	113	G198 R199	G198-D212 WeakPolarHBondContact CA-O 3.49Å; R199-D212 IonicContact CZ-OD2 2.62Å; R199-D212 IonicContact NE-OD2 3.34Å; R199-D212 PolarHBondContact NE-OD2 2.92Å; R199-D212 IonicContact NH2-OD2 3.61Å; R199-D212 PolarHBondContact NH2-OD2 3.08Å
213	T	93.6	Very high	93.1	Very high	29 Å²	29	52 Å²	52	18%	0.178	26%	0.261	C	S	.	.			trans	-85	148.4	-176.9	60.8	0	0	0	0	112.2	Q195 F196 W210 I211	Q195-T213 HydrophobicContact CB-CG2 4.02Å; Q195-T213 HydrophobicContact CG-CG2 4.38Å; Q195-T213 WeakPolarHBondContact CG-OG1 3.43Å; F196-T213 CarbonylContact O-C 3.55Å; F196-T213 VanDerWaalsContact O-CA 3.24Å; F196-T213 WeakPolarHBondContact O-CA 3.29Å; F196-T213 WeakPolarHBondContact O-CB 3.49Å; W210-T213 HydrophobicContact CD2-CG2 3.76Å; W210-T213 HydrophobicContact CE3-CG2 4.41Å; W210-T213 HydrophobicContact CG-CG2 3.93Å; W210-T213 HydrophobicContact CZ2-CG2 4.1Å; I211-T213 PolarHBondContact O-N 2.8Å
214	E	90.7	Very high	93.6	Very high	108 Å²	108	49.9 Å²	49.9	51%	0.505	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	143.2	159.7	-68.4	-177.2	-173.3	0	0	110.3	Q195 F196 Y197	Q195-E214 CarbonylContact C-O 3.58Å; Q195-E214 VanDerWaalsContact CA-O 3.28Å; Q195-E214 WeakPolarHBondContact CA-O 3.26Å; F196-E214 PolarHBondContact N-O 2.96Å; F196-E214 PolarHBondContact O-N 2.81Å; Y197-E214 HydrophobicContact CD2-CB 4.22Å; Y197-E214 HydrophobicContact CD2-CG 3.98Å; Y197-E214 VanDerWaalsContact CE2-OE2 3.32Å; Y197-E214 WeakPolarHBondContact CE2-OE2 3.48Å
215	T	91	Very high	94.1	Very high	41 Å²	41	42.1 Å²	42.1	25%	0.252	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132	-177.5	64.7	0	0	0	0	112.5	I193 V194 Q195 R244	I193-T215 HydrophobicContact CG2-CG2 4.06Å; V194-T215 CarbonylContact O-C 3.59Å; V194-T215 WeakPolarHBondContact O-CA 3.48Å; Q195-T215 HydrophobicContact CG-CG2 4.24Å; T215-R244 WeakPolarHBondContact OG1-CD 3.13Å; T215-R244 PolarHBondContact OG1-NH1 3.47Å
216	I	92.6	Very high	94.7	Very high	7 Å²	7	37 Å²	37	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.6	177.7	-61	-178.3	0	0	0	108.8	V194 F196 A241 A267 I270 F293	V194-I216 PolarHBondContact N-O 3.12Å; V194-I216 PolarHBondContact O-N 3.21Å; F196-I216 HydrophobicContact CD2-CD1 3.94Å; F196-I216 HydrophobicContact CD2-CG1 4.34Å; F196-I216 HydrophobicContact CE2-CB 4.48Å; F196-I216 HydrophobicContact CE2-CD1 3.78Å; F196-I216 HydrophobicContact CE2-CG1 4.32Å; I216-A241 HydrophobicContact CG2-CB 3.98Å; I216-A267 HydrophobicContact CD1-CB 3.82Å; I216-A267 HydrophobicContact CG1-CB 3.9Å; I216-A267 HydrophobicContact CG2-CB 4.43Å; I216-I270 HydrophobicContact CD1-CD1 3.38Å; I216-I270 HydrophobicContact CD1-CG1 4.49Å; I216-F293 HydrophobicContact CG2-CD2 4.49Å; I216-F293 HydrophobicContact CG2-CE2 4.1Å
217	C	95	Very high	95.5	Very high	20 Å²	20	32.1 Å²	32.1	14%	0.135	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.3	174.4	-65.1	0	0	0	0	109.9	T191 R192 A241 K242	T191-C217 HydrophobicContact CG2-CB 3.92Å; R192-C217 CarbonylContact O-C 3.46Å; R192-C217 WeakPolarHBondContact O-CA 3.28Å; C217-A241 CarbonylContact O-C 3.54Å; C217-A241 WeakPolarHBondContact O-CA 3.27Å; C217-K242 HydrophobicContact CB-CB 4.18Å; C217-K242 WeakPolarHBondContact CB-O 3.27Å; C217-K242 PolarHBondContact N-O 2.59Å; C217-K242 PolarHBondContact O-N 3.35Å
218	A	97.7	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	102.3	170.1	0	0	0	0	0	109.2	T191 R192 V194 W239 F293 A297	T191-A218 WeakPolarHBondContact CA-O 3.45Å; R192-A218 HydrophobicContact CB-CB 4.36Å; R192-A218 PolarHBondContact N-O 3.08Å; R192-A218 PolarHBondContact O-N 2.97Å; V194-A218 HydrophobicContact CG2-CB 4.18Å; A218-W239 HydrophobicContact CB-CD2 4.33Å; A218-W239 HydrophobicContact CB-CE3 3.79Å; A218-W239 HydrophobicContact CB-CZ3 4.37Å; A218-F293 HydrophobicContact CB-CD2 4.47Å; A218-F293 HydrophobicContact CB-CE2 3.53Å; A218-F293 HydrophobicContact CB-CZ 3.56Å; A218-A297 HydrophobicContact CB-CB 3.5Å; A218-A297 VanDerWaalsContact CB-CB 3.5Å
219	L	97.5	Very high	95.8	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.073	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.4	179.5	175.5	63.7	0	0	0	109.6	E186 P188 Y221 A240 K242	E186-L219 HydrophobicContact CG-CD1 4.07Å; E186-L219 HydrophobicContact CG-CD2 4.15Å; E186-L219 HydrophobicContact CG-CG 4.23Å; P188-L219 HydrophobicContact CB-CD1 4.15Å; L219-Y221 HydrophobicContact CD2-CE2 3.75Å; L219-Y221 HydrophobicContact CG-CD2 4.46Å; L219-Y221 HydrophobicContact CG-CE2 3.89Å; L219-A240 PolarHBondContact N-O 3.25Å; L219-A240 PolarHBondContact O-N 2.94Å; L219-K242 HydrophobicContact CB-CG 4.16Å; L219-K242 HydrophobicContact CD2-CG 4.17Å
220	P	98.3	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.6	-179.5	22.3	-20.8	0	0	0	113	R187 R237 L238 W239	R187-P220 HydrophobicContact CB-CB 4.48Å; R187-P220 HydrophobicContact CB-CG 4Å; R187-P220 PolarHBondContact N-O 2.73Å; R187-P220 WeakPolarHBondContact O-CG 3.27Å; P220-R237 HydrophobicContact CB-CG 3.94Å; P220-L238 WeakPolarHBondContact CA-O 3.22Å; P220-W239 HydrophobicContact CB-CE3 3.79Å; P220-W239 HydrophobicContact CB-CH2 4.06Å; P220-W239 HydrophobicContact CB-CZ3 3.48Å; P220-W239 VanDerWaalsContact CB-CZ3 3.48Å; P220-W239 HydrophobicContact CG-CE3 4.21Å; P220-W239 HydrophobicContact CG-CH2 4.21Å; P220-W239 HydrophobicContact CG-CZ3 3.54Å
221	Y	98.5	Very high	95.4	Very high	22 Å²	22	27.9 Å²	27.9	9%	0.086	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131	165.8	-74.5	-100.6	0	0	0	109	R154 E184 K185 E186 L219 L238 A240	R154-Y221 VanDerWaalsContact CD-CD2 3.42Å; E184-Y221 HydrophobicContact CB-CD1 4.4Å; E184-Y221 HydrophobicContact CG-CD1 3.98Å; K185-Y221 WeakPolarHBondContact O-CA 3.44Å; E186-Y221 HydrophobicContact CB-CD1 3.98Å; E186-Y221 HydrophobicContact CB-CE1 3.59Å; E186-Y221 VanDerWaalsContact CD-OH 3.24Å; E186-Y221 HydrophobicContact CG-CD1 4.31Å; E186-Y221 HydrophobicContact CG-CE1 3.71Å; E186-Y221 HydrophobicContact CG-CE2 4.09Å; E186-Y221 PolarHBondContact OE2-OH 2.97Å; L219-Y221 HydrophobicContact CD2-CE2 3.75Å; L219-Y221 HydrophobicContact CG-CD2 4.46Å; L219-Y221 HydrophobicContact CG-CE2 3.89Å; Y221-L238 PolarHBondContact N-O 2.71Å; Y221-L238 PolarHBondContact O-N 2.73Å; Y221-A240 HydrophobicContact CD2-CB 4.05Å; Y221-A240 HydrophobicContact CE2-CB 3.85Å
222	E	98.3	Very high	95.4	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.6	-177	-63.3	-174	134.6	0	0	111.5	W61 E184 K185 R187 T235 L236 R237	W61-E222 HydrophobicContact CH2-CB 3.59Å; W61-E222 HydrophobicContact CH2-CG 4.41Å; W61-E222 WeakPolarHBondContact CH2-OE2 3.45Å; W61-E222 HydrophobicContact CZ2-CB 3.76Å; W61-E222 HydrophobicContact CZ2-CG 4.41Å; W61-E222 WeakPolarHBondContact CZ2-OE2 3.12Å; E184-E222 CarbonylContact C-O 3.52Å; E184-E222 VanDerWaalsContact CA-O 3.25Å; E184-E222 WeakPolarHBondContact CA-O 3.49Å; K185-E222 PolarHBondContact N-O 2.97Å; K185-E222 PolarHBondContact O-N 3.29Å; R187-E222 HydrophobicContact CG-CG 3.93Å; R187-E222 WeakPolarHBondContact CG-OE2 3.28Å; R187-E222 IonicContact CZ-OE2 3.48Å; R187-E222 IonicContact NE-OE2 3.71Å; R187-E222 PolarHBondContact NE-OE2 2.83Å; R187-E222 IonicContact NH2-OE2 2.78Å; R187-E222 PolarHBondContact NH2-OE2 2.82Å; E222-T235 HydrophobicContact CB-CG2 3.99Å; E222-T235 HydrophobicContact CG-CG2 4.02Å; E222-L236 CarbonylContact C-O 3.54Å; E222-L236 WeakPolarHBondContact CA-O 3.3Å; E222-R237 HydrophobicContact CG-CG 4.47Å; E222-R237 IonicContact OE1-CZ 3.7Å; E222-R237 VanDerWaalsContact OE1-CZ 3.28Å; E222-R237 IonicContact OE1-NE 2.91Å; E222-R237 PolarHBondContact OE1-NE 2.97Å; E222-R237 IonicContact OE1-NH2 3.42Å; E222-R237 PolarHBondContact OE1-NH2 3.28Å
223	V	97.9	Very high	95.5	Very high	12 Å²	12	20.8 Å²	20.8	7%	0.073	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	173.5	-177.3	0	0	0	0	108.5	W183 E184 I225 L236 L238	W183-V223 HydrophobicContact CB-CG1 4.44Å; E184-V223 HydrophobicContact CB-CG2 4.03Å; V223-I225 HydrophobicContact CG1-CD1 4.44Å; V223-L236 HydrophobicContact CB-CB 4.31Å; V223-L236 PolarHBondContact N-O 2.94Å; V223-L236 PolarHBondContact O-N 2.83Å; V223-L238 HydrophobicContact CG2-CD1 4.24Å
224	P	97.7	Very high	95.7	Very high	7 Å²	7	19.5 Å²	19.5	5%	0.045	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.7	178.2	28.2	-32.6	0	0	0	111	W61 W183 P226 C233	W61-P224 HydrophobicContact CD2-CB 4.08Å; W61-P224 HydrophobicContact CE3-CB 4.34Å; W61-P224 HydrophobicContact CG-CB 4.23Å; W183-P224 VanDerWaalsContact O-CD 3.24Å; W183-P224 WeakPolarHBondContact O-CD 3.42Å; P224-P226 WeakPolarHBondContact O-CD 3.42Å; P224-C233 VanDerWaalsContact CB-SG 3.59Å
225	I	98.1	Very high	96.1	Very high	11 Å²	11	14.4 Å²	14.4	6%	0.056	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	95.4	180	-52.4	-58.8	0	0	0	109.2	M85 L138 A142 V223 C233 N234 L236	M85-I225 HydrophobicContact CE-CD1 3.6Å; L138-I225 HydrophobicContact CB-CG2 4.06Å; L138-I225 HydrophobicContact CD1-CD1 4.41Å; L138-I225 HydrophobicContact CD1-CG1 4.45Å; A142-I225 HydrophobicContact CB-CG2 4.11Å; A142-I225 VanDerWaalsContact CB-O 3.31Å; A142-I225 WeakPolarHBondContact CB-O 3.32Å; V223-I225 HydrophobicContact CG1-CD1 4.44Å; I225-C233 CarbonylContact O-C 3.31Å; I225-C233 WeakPolarHBondContact O-CA 3.42Å; I225-N234 HydrophobicContact CB-CB 4.34Å; I225-N234 PolarHBondContact N-O 3Å; I225-N234 PolarHBondContact O-N 2.77Å; I225-L236 HydrophobicContact CD1-CB 3.95Å; I225-L236 HydrophobicContact CG1-CB 4.03Å
226	P	97	Very high	96.5	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.039	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.7	179.6	29.2	-35.1	0	0	0	112.4	L57 T92 N95 V96 P224	L57-P226 HydrophobicContact CD2-CB 3.51Å; L57-P226 HydrophobicContact CD2-CG 3.5Å; T92-P226 HydrophobicContact CG2-CG 4.3Å; N95-P226 HydrophobicContact CB-CB 3.9Å; N95-P226 HydrophobicContact CB-CG 3.87Å; N95-P226 PolarHBondContact ND2-O 3.47Å; V96-P226 HydrophobicContact CG1-CB 4.21Å; P224-P226 WeakPolarHBondContact O-CD 3.42Å
227	G	96.6	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.			trans	-77.6	154	166.7	0	0	0	0	0	112.5	A142 R229 N230 T232	A142-G227 VanDerWaalsContact C-CA 3.46Å; G227-R229 PolarHBondContact O-N 3.27Å; G227-N230 WeakPolarHBondContact CA-OD1 3.4Å; G227-N230 PolarHBondContact O-OD1 2.83Å; G227-T232 PolarHBondContact N-O 3.05Å
228	Y	95.9	Very high	96.9	Very high	4 Å²	4	12 Å²	12	2%	0.016	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	114.9	179.9	179.6	-108.5	0	0	0	112.1	L94 T143 N230 R478 L482 V502 K503	L94-Y228 HydrophobicContact CD1-CE2 4.14Å; L94-Y228 HydrophobicContact CD2-CE2 4.43Å; L94-Y228 HydrophobicContact CG-CD2 4.28Å; L94-Y228 HydrophobicContact CG-CE2 4.01Å; T143-Y228 PolarHBondContact OG1-N 3.02Å; Y228-N230 PolarHBondContact O-N 3.17Å; Y228-R478 HydrophobicContact CD2-CG 3.66Å; Y228-R478 HydrophobicContact CE2-CG 4.49Å; Y228-R478 HydrophobicContact CG-CG 3.73Å; Y228-L482 HydrophobicContact CE2-CD2 3.72Å; Y228-V502 HydrophobicContact CD1-CB 4.36Å; Y228-V502 HydrophobicContact CD1-CG1 3.72Å; Y228-V502 HydrophobicContact CE1-CB 3.75Å; Y228-V502 HydrophobicContact CE1-CG1 3.41Å; Y228-V502 VanDerWaalsContact CE1-CG1 3.41Å; Y228-V502 HydrophobicContact CE1-CG2 4.32Å; Y228-V502 HydrophobicContact CE2-CG1 4.37Å; Y228-V502 HydrophobicContact CG-CG1 4.33Å; Y228-K503 HydrophobicContact CD1-CG 4.17Å; Y228-K503 WeakPolarHBondContact O-CE 3.34Å; Y228-K503 PolarHBondContact O-NZ 2.8Å; Y228-K503 VanDerWaalsContact O-NZ 3.16Å
229	R	92.5	Very high	97	Very high	87 Å²	87	12 Å²	12	33%	0.328	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	52.1	176.4	-69.8	-174.1	169.2	170.5	-5.3	111.6	N95 D97 G227 D499 K503	N95-R229 PolarHBondContact O-N 3.32Å; D97-R229 HydrophobicContact CB-CG 4.15Å; D97-R229 VanDerWaalsContact CG-NE 3.29Å; D97-R229 IonicContact OD1-CZ 3.28Å; D97-R229 IonicContact OD1-NE 3.64Å; D97-R229 PolarHBondContact OD1-NE 3.1Å; D97-R229 IonicContact OD1-NH2 3.17Å; D97-R229 PolarHBondContact OD1-NH2 2.93Å; D97-R229 IonicContact OD2-NE 2.71Å; D97-R229 IonicContact OD2-NH2 3.73Å; G227-R229 PolarHBondContact O-N 3.27Å; R229-D499 IonicContact CZ-OD2 3.63Å; R229-D499 IonicContact NH1-OD2 2.64Å; R229-D499 PolarHBondContact NH1-OD2 3Å; R229-K503 PolarHBondContact O-NZ 3.06Å
230	N	91.9	Very high	97	Very high	26 Å²	26	11.4 Å²	11.4	14%	0.139	5%	0.051	C	C	.	.	S	Bend	trans	-143.5	177.1	168	73.4	11.5	0	0	0	108.7	R60 A142 T143 G227 Y228 T232	R60-N230 PolarHBondContact NH1-O 3.18Å; A142-N230 PolarHBondContact O-ND2 2.97Å; T143-N230 PolarHBondContact O-ND2 2.74Å; G227-N230 WeakPolarHBondContact CA-OD1 3.4Å; G227-N230 PolarHBondContact O-OD1 2.83Å; Y228-N230 PolarHBondContact O-N 3.17Å; N230-T232 PolarHBondContact OD1-N 2.72Å; N230-T232 VanDerWaalsContact OD1-N 3.13Å; N230-T232 PolarHBondContact OD1-O 2.94Å
231	Q	92.4	Very high	96.9	Very high	29 Å²	29	11.4 Å²	11.4	14%	0.136	5%	0.051	C	C	.	.	S	Bend	trans	-93	-4.5	179.9	-59.7	-57.7	-38.9	0	0	113.1	T64 V822 E824	T64-Q231 PolarHBondContact OG1-O 2.89Å; Q231-V822 HydrophobicContact CB-CB 3.76Å; Q231-V822 HydrophobicContact CB-CG1 3.64Å; Q231-V822 WeakPolarHBondContact CB-O 3.33Å; Q231-E824 HydrophobicContact CG-CB 4.5Å; Q231-E824 HydrophobicContact CG-CG 3.45Å; Q231-E824 VanDerWaalsContact CG-CG 3.45Å; Q231-E824 PolarHBondContact NE2-OE1 3.37Å
232	T	95.5	Very high	96.6	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.025	6%	0.055	C	C	.	.			trans	-74.4	128.6	179.8	-56.1	0	0	0	0	110.5	T64 Y68 A142 G227 N230	T64-T232 HydrophobicContact CG2-CG2 4.14Å; Y68-T232 WeakPolarHBondContact OH-CG2 3.07Å; A142-T232 WeakPolarHBondContact O-CB 3.41Å; G227-T232 PolarHBondContact N-O 3.05Å; N230-T232 PolarHBondContact OD1-N 2.72Å; N230-T232 VanDerWaalsContact OD1-N 3.13Å; N230-T232 PolarHBondContact OD1-O 2.94Å
233	C	97	Very high	95.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	106.7	171.7	-173.7	0	0	0	0	108.9	R60 W61 T64 P224 I225	R60-C233 HydrophobicContact CB-CB 4.12Å; W61-C233 HydrophobicContact CB-CB 4.13Å; T64-C233 WeakPolarHBondContact CB-O 3.38Å; T64-C233 WeakPolarHBondContact CG2-O 3.46Å; T64-C233 PolarHBondContact OG1-N 2.84Å; P224-C233 VanDerWaalsContact CB-SG 3.59Å; I225-C233 CarbonylContact O-C 3.31Å; I225-C233 WeakPolarHBondContact O-CA 3.42Å
234	N	98	Very high	94.5	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-178.4	179.4	-79.7	-14.9	0	0	0	111.1	Y68 A142 L146 A148 I225	Y68-N234 WeakPolarHBondContact CE2-OD1 3.39Å; Y68-N234 PolarHBondContact OH-OD1 2.81Å; A142-N234 HydrophobicContact CB-CB 4.33Å; L146-N234 PolarHBondContact O-ND2 3.48Å; A148-N234 WeakPolarHBondContact O-CB 3.25Å; I225-N234 HydrophobicContact CB-CB 4.34Å; I225-N234 PolarHBondContact N-O 3Å; I225-N234 PolarHBondContact O-N 2.77Å
235	T	98.4	Very high	92.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131	-176.9	-53.7	0	0	0	0	111.1	W61 Y149 G150 E222 R237	W61-T235 HydrophobicContact CZ2-CG2 4.01Å; W61-T235 PolarHBondContact NE1-OG1 2.87Å; Y149-T235 WeakPolarHBondContact CA-O 3.28Å; Y149-T235 HydrophobicContact CD1-CG2 4.05Å; Y149-T235 HydrophobicContact CE1-CG2 4.1Å; G150-T235 PolarHBondContact N-O 2.88Å; E222-T235 HydrophobicContact CB-CG2 3.99Å; E222-T235 HydrophobicContact CG-CG2 4.02Å; T235-R237 HydrophobicContact CG2-CB 4.43Å
236	L	98.7	Very high	90.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.9	157.7	170.7	58.4	0	0	0	108.1	F83 M85 L138 G150 E222 V223 I225 L238	F83-L236 HydrophobicContact CB-CD2 4.2Å; F83-L236 HydrophobicContact CD1-CD1 4.11Å; F83-L236 HydrophobicContact CD1-CD2 4.44Å; F83-L236 HydrophobicContact CD2-CD1 3.75Å; F83-L236 HydrophobicContact CE1-CD1 4.05Å; F83-L236 HydrophobicContact CE2-CD1 3.69Å; F83-L236 HydrophobicContact CG-CD1 3.96Å; F83-L236 HydrophobicContact CG-CD2 4.16Å; F83-L236 HydrophobicContact CZ-CD1 3.84Å; M85-L236 HydrophobicContact CE-CD2 4.24Å; M85-L236 HydrophobicContact CG-CD2 4.23Å; M85-L236 HydrophobicContact SD-CD2 4.03Å; L138-L236 HydrophobicContact CD1-CB 4.09Å; L138-L236 HydrophobicContact CD1-CD1 4.14Å; L138-L236 HydrophobicContact CD1-CD2 4.13Å; L138-L236 HydrophobicContact CD1-CG 4.34Å; G150-L236 CarbonylContact O-C 3.48Å; G150-L236 WeakPolarHBondContact O-CA 3.31Å; E222-L236 CarbonylContact C-O 3.54Å; E222-L236 WeakPolarHBondContact CA-O 3.3Å; V223-L236 HydrophobicContact CB-CB 4.31Å; V223-L236 PolarHBondContact N-O 2.94Å; V223-L236 PolarHBondContact O-N 2.83Å; I225-L236 HydrophobicContact CD1-CB 3.95Å; I225-L236 HydrophobicContact CG1-CB 4.03Å; L236-L238 HydrophobicContact CD1-CD2 3.79Å; L236-L238 HydrophobicContact CD1-CG 4.38Å; L236-L238 HydrophobicContact CD2-CD1 4.49Å; L236-L238 HydrophobicContact CD2-CD2 4.2Å; L236-L238 HydrophobicContact CD2-CG 4.47Å; L236-L238 HydrophobicContact CG-CD1 4.5Å; L236-L238 HydrophobicContact CG-CD2 3.91Å; L236-L238 HydrophobicContact CG-CG 4.04Å
237	R	98.8	Very high	88.4	Confident	17 Å²	17	38.8 Å²	38.8	6%	0.064	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.4	177.6	-174.3	170.6	-77.3	-170.1	-0.6	109.8	G150 Y151 G152 P220 E222 T235 D301	G150-R237 PolarHBondContact O-N 2.94Å; Y151-R237 WeakPolarHBondContact CA-O 3.01Å; Y151-R237 HydrophobicContact CD1-CB 4.05Å; Y151-R237 HydrophobicContact CD1-CG 4.34Å; Y151-R237 HydrophobicContact CE1-CB 4.02Å; Y151-R237 HydrophobicContact CE1-CG 4.14Å; G152-R237 PolarHBondContact N-O 3.14Å; P220-R237 HydrophobicContact CB-CG 3.94Å; E222-R237 HydrophobicContact CG-CG 4.47Å; E222-R237 IonicContact OE1-CZ 3.7Å; E222-R237 VanDerWaalsContact OE1-CZ 3.28Å; E222-R237 IonicContact OE1-NE 2.91Å; E222-R237 PolarHBondContact OE1-NE 2.97Å; E222-R237 IonicContact OE1-NH2 3.42Å; E222-R237 PolarHBondContact OE1-NH2 3.28Å; T235-R237 HydrophobicContact CG2-CB 4.43Å; R237-D301 IonicContact CZ-OD2 2.66Å; R237-D301 IonicContact NH1-OD1 3.58Å; R237-D301 PolarHBondContact NH1-OD1 3.27Å; R237-D301 IonicContact NH1-OD2 3.13Å; R237-D301 PolarHBondContact NH1-OD2 2.97Å
238	L	98.8	Very high	86.5	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.3	-175.5	-57.9	169.9	0	0	0	110.1	L125 G152 R154 P220 Y221 V223 L236	L125-L238 HydrophobicContact CD1-CD1 3.46Å; L125-L238 VanDerWaalsContact CD1-CD1 3.46Å; L125-L238 HydrophobicContact CD1-CD2 4.41Å; L125-L238 HydrophobicContact CD2-CD1 4.1Å; L125-L238 HydrophobicContact CG-CD1 4.44Å; G152-L238 CarbonylContact O-C 3.51Å; G152-L238 WeakPolarHBondContact O-CA 3.41Å; R154-L238 HydrophobicContact CB-CB 3.73Å; R154-L238 HydrophobicContact CG-CB 4.48Å; P220-L238 WeakPolarHBondContact CA-O 3.22Å; Y221-L238 PolarHBondContact N-O 2.71Å; Y221-L238 PolarHBondContact O-N 2.73Å; V223-L238 HydrophobicContact CG2-CD1 4.24Å; L236-L238 HydrophobicContact CD1-CD2 3.79Å; L236-L238 HydrophobicContact CD1-CG 4.38Å; L236-L238 HydrophobicContact CD2-CD1 4.49Å; L236-L238 HydrophobicContact CD2-CD2 4.2Å; L236-L238 HydrophobicContact CD2-CG 4.47Å; L236-L238 HydrophobicContact CG-CD1 4.5Å; L236-L238 HydrophobicContact CG-CD2 3.91Å; L236-L238 HydrophobicContact CG-CG 4.04Å
239	W	98.6	Very high	84.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.7	-179.9	-58.8	109.8	0	0	0	111.5	Y151 G152 R154 R192 A218 P220 F293 A297 T298 D301	Y151-W239 HydrophobicContact CD1-CZ2 4.28Å; Y151-W239 AromaticContact CD1-NE1 3.76Å; Y151-W239 HydrophobicContact CE1-CZ2 4.04Å; G152-W239 PolarHBondContact O-N 3.31Å; R154-W239 PolarHBondContact N-O 3.1Å; R192-W239 HydrophobicContact CG-CH2 4.02Å; R192-W239 HydrophobicContact CG-CZ3 4.17Å; A218-W239 HydrophobicContact CB-CD2 4.33Å; A218-W239 HydrophobicContact CB-CE3 3.79Å; A218-W239 HydrophobicContact CB-CZ3 4.37Å; P220-W239 HydrophobicContact CB-CE3 3.79Å; P220-W239 HydrophobicContact CB-CH2 4.06Å; P220-W239 HydrophobicContact CB-CZ3 3.48Å; P220-W239 VanDerWaalsContact CB-CZ3 3.48Å; P220-W239 HydrophobicContact CG-CE3 4.21Å; P220-W239 HydrophobicContact CG-CH2 4.21Å; P220-W239 HydrophobicContact CG-CZ3 3.54Å; W239-F293 HydrophobicContact CB-CD1 4.34Å; W239-F293 HydrophobicContact CB-CE1 3.47Å; W239-F293 VanDerWaalsContact CB-CE1 3.47Å; W239-F293 HydrophobicContact CB-CZ 3.94Å; W239-A297 HydrophobicContact CD2-CB 3.64Å; W239-A297 HydrophobicContact CE3-CB 4.04Å; W239-A297 HydrophobicContact CG-CB 3.93Å; W239-A297 HydrophobicContact CH2-CB 4.45Å; W239-A297 HydrophobicContact CZ2-CB 4.1Å; W239-A297 WeakPolarHBondContact CZ2-O 3.42Å; W239-A297 HydrophobicContact CZ3-CB 4.4Å; W239-T298 PolarHBondContact NE1-OG1 3.04Å; W239-D301 HydrophobicContact CH2-CB 3.85Å; W239-D301 HydrophobicContact CZ2-CB 3.82Å
240	A	97.5	Very high	82.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.7	167.9	0	0	0	0	0	109.6	R154 L219 Y221	R154-A240 HydrophobicContact CB-CB 4.38Å; L219-A240 PolarHBondContact N-O 3.25Å; L219-A240 PolarHBondContact O-N 2.94Å; Y221-A240 HydrophobicContact CD2-CB 4.05Å; Y221-A240 HydrophobicContact CE2-CB 3.85Å
241	A	96.5	Very high	81.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.2	175	0	0	0	0	0	109.4	I216 C217 A267 I270 S271 F293	I216-A241 HydrophobicContact CG2-CB 3.98Å; C217-A241 CarbonylContact O-C 3.54Å; C217-A241 WeakPolarHBondContact O-CA 3.27Å; A241-A267 WeakPolarHBondContact CB-O 3.49Å; A241-I270 HydrophobicContact CB-CB 3.86Å; A241-I270 HydrophobicContact CB-CG2 4.24Å; A241-S271 PolarHBondContact N-OG 2.84Å; A241-F293 HydrophobicContact CB-CE1 4.29Å; A241-F293 HydrophobicContact CB-CE2 3.94Å; A241-F293 HydrophobicContact CB-CZ 3.76Å
242	K	92.2	Very high	79.5	Confident	37 Å²	37	49.8 Å²	49.8	16%	0.161	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.4	176.8	-63.2	-63.4	176.4	-162.7	0	110.3	E156 C217 L219	E156-K242 IonicContact OE1-NZ 3.38Å; C217-K242 HydrophobicContact CB-CB 4.18Å; C217-K242 WeakPolarHBondContact CB-O 3.27Å; C217-K242 PolarHBondContact N-O 2.59Å; C217-K242 PolarHBondContact O-N 3.35Å; L219-K242 HydrophobicContact CB-CG 4.16Å; L219-K242 HydrophobicContact CD2-CG 4.17Å
243	G	82.7	Confident	77.8	Confident	11 Å²	11	56.9 Å²	56.9	11%	0.113	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.5	172	0	0	0	0	0	111.2	K245	G243-K245 PolarHBondContact O-N 3.02Å
244	R	70.3	Confident	76.3	Confident	146 Å²	146	63 Å²	63	55%	0.551	29%	0.291	S	S	*	.	S	Bend	trans	-68.5	-30.9	-176.5	-172.5	175.3	179.2	-178.7	1.7	113.7	T215 Y246	T215-R244 WeakPolarHBondContact OG1-CD 3.13Å; T215-R244 PolarHBondContact OG1-NH1 3.47Å; R244-Y246 PolarHBondContact O-N 2.85Å
245	K	59.6	Low	74.5	Confident	136 Å²	136	69 Å²	69	59%	0.591	32%	0.323	S	S	*	.			trans	-94.3	100.5	-175.8	-60.1	-167.9	-169.8	172.5	0	109.9	G243 F247 D248	G243-K245 PolarHBondContact O-N 3.02Å; K245-F247 PolarHBondContact O-N 2.96Å; K245-D248 HydrophobicContact CD-CB 3.76Å; K245-D248 IonicContact NZ-OD2 2.76Å; K245-D248 PolarHBondContact NZ-OD2 3.33Å
246	Y	51.7	Low	73.2	Confident	175 Å²	175	72 Å²	72	69%	0.686	34%	0.339	S	S	*	.	S	Bend	trans	-65.6	-21.2	167.7	-82.8	-89.5	0	0	0	112.1	R244	R244-Y246 PolarHBondContact O-N 2.85Å
247	F	52.1	Low	71.9	Confident	137 Å²	137	76.5 Å²	76.5	60%	0.601	36%	0.357	S	S	*	.			trans	-173.2	119.7	168.5	-143.7	-118.4	0	0	0	108.1	K245 I252 Y257	K245-F247 PolarHBondContact O-N 2.96Å; F247-I252 HydrophobicContact CD1-CD1 4.14Å; F247-I252 HydrophobicContact CD1-CG1 4.31Å; F247-I252 HydrophobicContact CE1-CD1 3.54Å; F247-I252 HydrophobicContact CE1-CG1 3.56Å; F247-I252 HydrophobicContact CZ-CG1 4.29Å; F247-Y257 HydrophobicContact CZ-CE1 4.45Å
248	D	56.5	Low	70.8	Confident	35 Å²	35	81.7 Å²	81.7	19%	0.187	38%	0.384	C	S	.	.			trans	-84.1	121.8	166.1	-164.4	-28.5	0	0	0	108.3	K245 K250 I251	K245-D248 HydrophobicContact CD-CB 3.76Å; K245-D248 IonicContact NZ-OD2 2.76Å; K245-D248 PolarHBondContact NZ-OD2 3.33Å; D248-K250 PolarHBondContact O-N 3.27Å; D248-K250 VanDerWaalsContact O-N 3.13Å; D248-K250 WeakPolarHBondContact OD1-CB 3.27Å; D248-K250 WeakPolarHBondContact OD1-CG 3.24Å; D248-K250 PolarHBondContact OD1-N 3.18Å; D248-I251 HydrophobicContact CB-CD1 3.44Å; D248-I251 VanDerWaalsContact CB-CD1 3.44Å; D248-I251 HydrophobicContact CB-CG1 3.8Å; D248-I251 WeakPolarHBondContact O-CB 3.5Å; D248-I251 PolarHBondContact O-N 2.67Å
249	T	55.7	Low	69.5	Low	90 Å²	90	86.2 Å²	86.2	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-61.6	-22.6	177.8	50.8	0	0	0	0	112.3	I251 I252 H253	T249-I251 PolarHBondContact O-N 2.87Å; T249-I252 WeakPolarHBondContact O-CB 3.24Å; T249-I252 PolarHBondContact O-N 2.83Å; T249-H253 PolarHBondContact O-CD2 2.93Å; T249-H253 VanDerWaalsContact O-CD2 3.23Å; T249-H253 PolarHBondContact O-N 3.44Å
250	K	59	Low	68	Low	144 Å²	144	87.9 Å²	87.9	63%	0.626	42%	0.422	S	S	*	.	H	α-helix	trans	-64	-25.2	172.2	-64.2	-176.7	178.8	-175.1	0	113.3	D248 I252 H253 N254	D248-K250 PolarHBondContact O-N 3.27Å; D248-K250 VanDerWaalsContact O-N 3.13Å; D248-K250 WeakPolarHBondContact OD1-CB 3.27Å; D248-K250 WeakPolarHBondContact OD1-CG 3.24Å; D248-K250 PolarHBondContact OD1-N 3.18Å; K250-I252 VanDerWaalsContact C-N 3.31Å; K250-I252 PolarHBondContact O-N 2.79Å; K250-H253 PolarHBondContact O-N 2.79Å; K250-N254 PolarHBondContact O-N 3.29Å; K250-N254 VanDerWaalsContact O-N 3.15Å
251	I	56.1	Low	66.9	Low	28 Å²	28	92.8 Å²	92.8	14%	0.144	45%	0.447	C	S	.	.	H	α-helix	trans	-63.9	-40.3	175.7	-66.7	155.8	0	0	0	110.5	D248 T249 H253 N254 N255 D256 Y257 A260	D248-I251 HydrophobicContact CB-CD1 3.44Å; D248-I251 VanDerWaalsContact CB-CD1 3.44Å; D248-I251 HydrophobicContact CB-CG1 3.8Å; D248-I251 WeakPolarHBondContact O-CB 3.5Å; D248-I251 PolarHBondContact O-N 2.67Å; T249-I251 PolarHBondContact O-N 2.87Å; I251-H253 VanDerWaalsContact C-N 3.32Å; I251-H253 PolarHBondContact O-N 3.27Å; I251-N254 PolarHBondContact O-N 3.06Å; I251-N255 PolarHBondContact O-N 3.45Å; I251-D256 PolarHBondContact O-N 2.94Å; I251-Y257 HydrophobicContact CG2-CD1 3.69Å; I251-Y257 HydrophobicContact CG2-CE1 4.15Å; I251-Y257 HydrophobicContact CG2-CG 4.18Å; I251-A260 HydrophobicContact CD1-CB 3.21Å; I251-A260 HydrophobicContact CG1-CB 3.72Å; I251-A260 HydrophobicContact CG2-CB 4.07Å
252	I	55.5	Low	66	Low	81 Å²	81	96.8 Å²	96.8	42%	0.415	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-43	176.6	-50.8	174.5	0	0	0	109.9	F247 T249 K250 N254	F247-I252 HydrophobicContact CD1-CD1 4.14Å; F247-I252 HydrophobicContact CD1-CG1 4.31Å; F247-I252 HydrophobicContact CE1-CD1 3.54Å; F247-I252 HydrophobicContact CE1-CG1 3.56Å; F247-I252 HydrophobicContact CZ-CG1 4.29Å; T249-I252 WeakPolarHBondContact O-CB 3.24Å; T249-I252 PolarHBondContact O-N 2.83Å; K250-I252 VanDerWaalsContact C-N 3.31Å; K250-I252 PolarHBondContact O-N 2.79Å; I252-N254 VanDerWaalsContact C-N 3.26Å; I252-N254 PolarHBondContact O-N 3.14Å
253	H	60	Low	65.1	Low	153 Å²	153	96.7 Å²	96.7	71%	0.708	48%	0.478	S	S	*	.	H	α-helix	trans	-66.7	-27.8	-178	-72.8	-64.7	0	0	0	113.5	T249 K250 I251	T249-H253 PolarHBondContact O-CD2 2.93Å; T249-H253 VanDerWaalsContact O-CD2 3.23Å; T249-H253 PolarHBondContact O-N 3.44Å; K250-H253 PolarHBondContact O-N 2.79Å; I251-H253 VanDerWaalsContact C-N 3.32Å; I251-H253 PolarHBondContact O-N 3.27Å
254	N	65.7	Low	64.9	Low	127 Å²	127	100.9 Å²	100.9	68%	0.679	49%	0.49	S	S	*	.	H	α-helix	trans	-107.8	3.3	-175.9	-68.2	-5.6	0	0	0	114.2	K250 I251 I252 D256	K250-N254 PolarHBondContact O-N 3.29Å; K250-N254 VanDerWaalsContact O-N 3.15Å; I251-N254 PolarHBondContact O-N 3.06Å; I252-N254 VanDerWaalsContact C-N 3.26Å; I252-N254 PolarHBondContact O-N 3.14Å; N254-D256 HydrophobicContact CB-CB 4.4Å; N254-D256 PolarHBondContact O-N 2.87Å; N254-D256 VanDerWaalsContact O-N 3.1Å
255	N	59.9	Low	65.4	Low	129 Å²	129	97 Å²	97	69%	0.69	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	22.2	-174.3	-106.3	7.3	0	0	0	114.4	I251 Y257	I251-N255 PolarHBondContact O-N 3.45Å; N255-Y257 VanDerWaalsContact C-N 3.3Å; N255-Y257 PolarHBondContact O-N 3.25Å; N255-Y257 WeakPolarHBondContact OD1-CE2 3.45Å
256	D	71.2	Confident	66.5	Low	63 Å²	63	96.7 Å²	96.7	34%	0.337	48%	0.481	S	S	.	.			trans	-94.9	48.1	-171.7	-164.2	6.4	0	0	0	112.9	I251 N254 I258 N259 A260	I251-D256 PolarHBondContact O-N 2.94Å; N254-D256 HydrophobicContact CB-CB 4.4Å; N254-D256 PolarHBondContact O-N 2.87Å; N254-D256 VanDerWaalsContact O-N 3.1Å; D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.16Å; D256-N259 VanDerWaalsContact OD1-CB 3.23Å; D256-N259 WeakPolarHBondContact OD1-CB 3.5Å; D256-N259 PolarHBondContact OD1-N 3.04Å; D256-N259 PolarHBondContact OD1-ND2 3.01Å; D256-N259 WeakPolarHBondContact OD2-CB 3.37Å; D256-N259 PolarHBondContact OD2-ND2 3.24Å; D256-A260 PolarHBondContact O-N 3.1Å
257	Y	72.1	Confident	68	Low	97 Å²	97	89 Å²	89	38%	0.38	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-33.4	-176.5	-59.9	-78.6	0	0	0	112.5	F247 I251 N255 I261	F247-Y257 HydrophobicContact CZ-CE1 4.45Å; I251-Y257 HydrophobicContact CG2-CD1 3.69Å; I251-Y257 HydrophobicContact CG2-CE1 4.15Å; I251-Y257 HydrophobicContact CG2-CG 4.18Å; N255-Y257 VanDerWaalsContact C-N 3.3Å; N255-Y257 PolarHBondContact O-N 3.25Å; N255-Y257 WeakPolarHBondContact OD1-CE2 3.45Å; Y257-I261 WeakPolarHBondContact O-CG1 3.31Å; Y257-I261 PolarHBondContact O-N 3.44Å
258	I	75.4	Confident	69.8	Low	126 Å²	126	83.5 Å²	83.5	65%	0.646	43%	0.43	S	S	*	.	H	α-helix	trans	-66.1	-52.9	-177.1	-64.1	175	0	0	0	110.1	D256 A260 I261 L262	D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.16Å; I258-A260 PolarHBondContact O-N 3.44Å; I258-I261 PolarHBondContact O-N 3.41Å; I258-L262 HydrophobicContact CG2-CD1 3.87Å; I258-L262 HydrophobicContact CG2-CG 4.31Å; I258-L262 WeakPolarHBondContact O-CG 3.33Å; I258-L262 PolarHBondContact O-N 2.88Å
259	N	70.3	Confident	71.4	Confident	95 Å²	95	84.6 Å²	84.6	51%	0.508	44%	0.436	S	S	.	.	H	α-helix	trans	-65	-31.1	-177.6	-68	-33.2	0	0	0	112.3	D256 L262 G263	D256-N259 VanDerWaalsContact OD1-CB 3.23Å; D256-N259 WeakPolarHBondContact OD1-CB 3.5Å; D256-N259 PolarHBondContact OD1-N 3.04Å; D256-N259 PolarHBondContact OD1-ND2 3.01Å; D256-N259 WeakPolarHBondContact OD2-CB 3.37Å; D256-N259 PolarHBondContact OD2-ND2 3.24Å; N259-L262 PolarHBondContact O-N 2.85Å; N259-G263 PolarHBondContact O-N 2.84Å
260	A	68.6	Low	73.3	Confident	35 Å²	35	80.3 Å²	80.3	29%	0.289	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-44	174.9	0	0	0	0	0	113.5	I251 D256 I258 R264	I251-A260 HydrophobicContact CD1-CB 3.21Å; I251-A260 HydrophobicContact CG1-CB 3.72Å; I251-A260 HydrophobicContact CG2-CB 4.07Å; D256-A260 PolarHBondContact O-N 3.1Å; I258-A260 PolarHBondContact O-N 3.44Å; A260-R264 PolarHBondContact O-N 3.22Å
261	I	74.6	Confident	75	Confident	103 Å²	103	73.5 Å²	73.5	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-69.6	-40.5	177.6	-64.1	172.9	0	0	0	109.9	Y257 I258 R264 N265	Y257-I261 WeakPolarHBondContact O-CG1 3.31Å; Y257-I261 PolarHBondContact O-N 3.44Å; I258-I261 PolarHBondContact O-N 3.41Å; I261-R264 PolarHBondContact O-N 3.45Å; I261-N265 PolarHBondContact O-N 2.88Å; I261-N265 PolarHBondContact O-ND2 3.05Å
262	L	76.3	Confident	76.7	Confident	84 Å²	84	75.1 Å²	75.1	44%	0.44	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-49.4	175.4	-69.2	175.1	0	0	0	111.6	I258 N259 R264 N265 E266	I258-L262 HydrophobicContact CG2-CD1 3.87Å; I258-L262 HydrophobicContact CG2-CG 4.31Å; I258-L262 WeakPolarHBondContact O-CG 3.33Å; I258-L262 PolarHBondContact O-N 2.88Å; N259-L262 PolarHBondContact O-N 2.85Å; L262-R264 VanDerWaalsContact C-N 3.28Å; L262-R264 PolarHBondContact O-N 3.21Å; L262-N265 CarbonylContact O-C 3.45Å; L262-N265 WeakPolarHBondContact O-CB 3.4Å; L262-N265 PolarHBondContact O-N 3.42Å; L262-N265 VanDerWaalsContact O-N 3.07Å; L262-E266 WeakPolarHBondContact O-CG 3.43Å; L262-E266 PolarHBondContact O-N 2.96Å
263	G	74.2	Confident	78.4	Confident	35 Å²	35	73.7 Å²	73.7	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-33.8	178.3	0	0	0	0	0	113.4	N259 E266 A267	N259-G263 PolarHBondContact O-N 2.84Å; G263-E266 PolarHBondContact O-N 3.07Å; G263-A267 PolarHBondContact O-N 2.99Å; G263-A267 VanDerWaalsContact O-N 3.13Å
264	R	77.5	Confident	79.7	Confident	99 Å²	99	66.5 Å²	66.5	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-47.3	171.4	179.1	177.3	174.1	178.9	-5	111.4	A260 I261 L262 E266 A267 E268	A260-R264 PolarHBondContact O-N 3.22Å; I261-R264 PolarHBondContact O-N 3.45Å; L262-R264 VanDerWaalsContact C-N 3.28Å; L262-R264 PolarHBondContact O-N 3.21Å; R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 3.05Å; R264-A267 PolarHBondContact O-N 3.35Å; R264-E268 HydrophobicContact CG-CG 4.45Å; R264-E268 IonicContact CZ-OE1 3.68Å; R264-E268 IonicContact NE-OE1 3.69Å; R264-E268 PolarHBondContact NE-OE1 3.43Å; R264-E268 IonicContact NE-OE2 3.13Å; R264-E268 IonicContact NH2-OE1 3.43Å; R264-E268 PolarHBondContact NH2-OE1 2.99Å; R264-E268 WeakPolarHBondContact O-CG 3.34Å; R264-E268 PolarHBondContact O-N 3.36Å
265	N	82	Confident	80.3	Confident	65 Å²	65	62.7 Å²	62.7	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-35.6	178.2	-71.7	-19.3	0	0	0	111.5	I261 L262 E268 N269 R272	I261-N265 PolarHBondContact O-N 2.88Å; I261-N265 PolarHBondContact O-ND2 3.05Å; L262-N265 CarbonylContact O-C 3.45Å; L262-N265 WeakPolarHBondContact O-CB 3.4Å; L262-N265 PolarHBondContact O-N 3.42Å; L262-N265 VanDerWaalsContact O-N 3.07Å; N265-E268 PolarHBondContact O-N 3.1Å; N265-N269 VanDerWaalsContact O-CG 3.26Å; N265-N269 PolarHBondContact O-N 2.85Å; N265-N269 PolarHBondContact O-ND2 3.31Å; N265-N269 PolarHBondContact O-OD1 2.75Å; N265-R272 PolarHBondContact O-NH2 3.21Å
266	E	81.6	Confident	81	Confident	130 Å²	130	57.4 Å²	57.4	61%	0.607	30%	0.295	S	S	*	.	H	α-helix	trans	-64.8	-43.2	174.9	-74.3	174.2	-176.6	0	0	112.1	L262 G263 R264 E268 N269	L262-E266 WeakPolarHBondContact O-CG 3.43Å; L262-E266 PolarHBondContact O-N 2.96Å; G263-E266 PolarHBondContact O-N 3.07Å; R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 3.05Å; E266-E268 PolarHBondContact O-N 3.47Å; E266-N269 WeakPolarHBondContact O-CB 3.17Å; E266-N269 PolarHBondContact O-N 2.91Å
267	A	83	Confident	80.9	Confident	13 Å²	13	58.8 Å²	58.8	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-42	175.3	0	0	0	0	0	112.2	I216 A241 G263 R264 N269	I216-A267 HydrophobicContact CD1-CB 3.82Å; I216-A267 HydrophobicContact CG1-CB 3.9Å; I216-A267 HydrophobicContact CG2-CB 4.43Å; A241-A267 WeakPolarHBondContact CB-O 3.49Å; G263-A267 PolarHBondContact O-N 2.99Å; G263-A267 VanDerWaalsContact O-N 3.13Å; R264-A267 PolarHBondContact O-N 3.35Å; A267-N269 VanDerWaalsContact C-N 3.26Å; A267-N269 PolarHBondContact O-N 3.13Å
268	E	90.1	Very high	80.6	Confident	22 Å²	22	58.2 Å²	58.2	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-74.8	-11.9	179.8	-66.1	-180	-179.2	0	0	112.7	R264 N265 E266 I270 S271 R272	R264-E268 HydrophobicContact CG-CG 4.45Å; R264-E268 IonicContact CZ-OE1 3.68Å; R264-E268 IonicContact NE-OE1 3.69Å; R264-E268 PolarHBondContact NE-OE1 3.43Å; R264-E268 IonicContact NE-OE2 3.13Å; R264-E268 IonicContact NH2-OE1 3.43Å; R264-E268 PolarHBondContact NH2-OE1 2.99Å; R264-E268 WeakPolarHBondContact O-CG 3.34Å; R264-E268 PolarHBondContact O-N 3.36Å; N265-E268 PolarHBondContact O-N 3.1Å; E266-E268 PolarHBondContact O-N 3.47Å; E268-I270 PolarHBondContact O-N 2.86Å; E268-S271 PolarHBondContact O-N 3.07Å; E268-R272 PolarHBondContact O-NH2 3.32Å
269	N	91.5	Very high	80.1	Confident	57 Å²	57	57.4 Å²	57.4	31%	0.305	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-62.6	-27.9	177	-83.6	-31	0	0	0	111.8	N265 E266 A267 S271 R272 L286	N265-N269 VanDerWaalsContact O-CG 3.26Å; N265-N269 PolarHBondContact O-N 2.85Å; N265-N269 PolarHBondContact O-ND2 3.31Å; N265-N269 PolarHBondContact O-OD1 2.75Å; E266-N269 WeakPolarHBondContact O-CB 3.17Å; E266-N269 PolarHBondContact O-N 2.91Å; A267-N269 VanDerWaalsContact C-N 3.26Å; A267-N269 PolarHBondContact O-N 3.13Å; N269-S271 VanDerWaalsContact C-N 3.3Å; N269-S271 PolarHBondContact O-N 3.12Å; N269-R272 WeakPolarHBondContact O-CB 3.11Å; N269-R272 PolarHBondContact O-N 3.07Å; N269-R272 VanDerWaalsContact O-N 3.15Å; N269-R272 PolarHBondContact OD1-NE 3Å; N269-R272 PolarHBondContact OD1-NH1 2.88Å; N269-R272 PolarHBondContact OD1-NH2 2.98Å; N269-L286 HydrophobicContact CB-CD1 4.17Å; N269-L286 HydrophobicContact CB-CD2 4.46Å
270	I	93.7	Very high	80.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-55.2	-44.5	179.8	-66.3	-178.8	0	0	0	111.2	F196 I216 A241 E268 L286 K289 Q290 F293	F196-I270 HydrophobicContact CE2-CD1 3.81Å; F196-I270 HydrophobicContact CZ-CD1 3.9Å; I216-I270 HydrophobicContact CD1-CD1 3.38Å; I216-I270 HydrophobicContact CD1-CG1 4.49Å; A241-I270 HydrophobicContact CB-CB 3.86Å; A241-I270 HydrophobicContact CB-CG2 4.24Å; E268-I270 PolarHBondContact O-N 2.86Å; I270-L286 HydrophobicContact CG1-CD1 4.16Å; I270-K289 HydrophobicContact CD1-CB 4.1Å; I270-K289 HydrophobicContact CG1-CB 4.24Å; I270-Q290 HydrophobicContact CG2-CG 4.05Å; I270-Q290 WeakPolarHBondContact O-CG 3.1Å; I270-Q290 PolarHBondContact O-NE2 3.23Å; I270-F293 HydrophobicContact CG2-CB 3.7Å; I270-F293 HydrophobicContact CG2-CD1 3.71Å; I270-F293 HydrophobicContact CG2-CD2 4.23Å; I270-F293 HydrophobicContact CG2-CE1 4.37Å; I270-F293 HydrophobicContact CG2-CG 3.63Å
271	S	95.1	Very high	80.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-100.5	23.2	-179.6	59.7	0	0	0	0	113.5	Y155 E156 A241 E268 N269	Y155-S271 CarbonylContact C-O 3.38Å; Y155-S271 VanDerWaalsContact CA-O 3.27Å; Y155-S271 WeakPolarHBondContact CA-O 3.38Å; E156-S271 PolarHBondContact N-O 3.06Å; A241-S271 PolarHBondContact N-OG 2.84Å; E268-S271 PolarHBondContact O-N 3.07Å; N269-S271 VanDerWaalsContact C-N 3.3Å; N269-S271 PolarHBondContact O-N 3.12Å
272	R	92	Very high	81.3	Confident	62 Å²	62	59.9 Å²	59.9	23%	0.234	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-47.9	-173.7	-159	166.4	-53.2	167	18.4	114.3	E156 N157 N265 E268 N269	E156-R272 PolarHBondContact N-O 2.88Å; N157-R272 WeakPolarHBondContact CB-O 3.44Å; N157-R272 PolarHBondContact N-O 2.79Å; N265-R272 PolarHBondContact O-NH2 3.21Å; E268-R272 PolarHBondContact O-NH2 3.32Å; N269-R272 WeakPolarHBondContact O-CB 3.11Å; N269-R272 PolarHBondContact O-N 3.07Å; N269-R272 VanDerWaalsContact O-N 3.15Å; N269-R272 PolarHBondContact OD1-NE 3Å; N269-R272 PolarHBondContact OD1-NH1 2.88Å; N269-R272 PolarHBondContact OD1-NH2 2.98Å
273	V	91	Very high	81.7	Confident	52 Å²	52	56.3 Å²	56.3	32%	0.315	30%	0.297	S	S	.	.			trans	-136.4	140	-174.7	179.8	0	0	0	0	109.5	N157 G158 Q290	N157-V273 HydrophobicContact CB-CG2 4.29Å; G158-V273 CarbonylContact O-C 3.5Å; G158-V273 WeakPolarHBondContact O-CA 3.5Å; G158-V273 WeakPolarHBondContact O-CG1 3.34Å; V273-Q290 PolarHBondContact O-NE2 2.94Å
274	L	88.2	Confident	82.3	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.297	C	S	.	.	S	Bend	trans	-79	126.4	172.7	172.4	65.6	0	0	0	110.1	E82 N127 Y155 G158 A159	E82-L274 HydrophobicContact CG-CD1 3.8Å; E82-L274 HydrophobicContact CG-CD2 3.9Å; E82-L274 HydrophobicContact CG-CG 4.45Å; N127-L274 HydrophobicContact CB-CD2 4Å; Y155-L274 HydrophobicContact CD1-CB 4.13Å; Y155-L274 HydrophobicContact CD2-CB 4.03Å; Y155-L274 HydrophobicContact CD2-CD1 4.33Å; Y155-L274 HydrophobicContact CE1-CB 4.21Å; Y155-L274 HydrophobicContact CE1-CD1 4.27Å; Y155-L274 HydrophobicContact CE2-CB 4.11Å; Y155-L274 HydrophobicContact CE2-CD1 3.6Å; Y155-L274 HydrophobicContact CE2-CG 4.35Å; Y155-L274 HydrophobicContact CG-CB 4.02Å; Y155-L274 WeakPolarHBondContact OH-CD1 3.33Å; G158-L274 PolarHBondContact O-N 3.49Å; A159-L274 HydrophobicContact CB-CB 4.49Å; A159-L274 HydrophobicContact CB-CD2 4.39Å
275	Y	78.9	Confident	83.1	Confident	47 Å²	47	54.7 Å²	54.7	18%	0.184	28%	0.283	C	S	.	.	S	Bend	trans	55.3	79.4	-177.6	-63.1	-61.2	0	0	0	114	E82 H330	E82-Y275 HydrophobicContact CG-CE2 3.91Å; E82-Y275 WeakPolarHBondContact OE1-CE2 3.37Å; E82-Y275 PolarHBondContact OE1-OH 3.34Å; Y275-H330 AromaticContact CE1-CD2 3.99Å; Y275-H330 AromaticContact CE1-NE2 3.66Å; Y275-H330 AromaticContact CZ-NE2 3.76Å; Y275-H330 PolarHBondContact OH-CE1 2.92Å; Y275-H330 VanDerWaalsContact OH-CE1 3.28Å; Y275-H330 PolarHBondContact OH-NE2 3.41Å
276	P	72.7	Confident	83.6	Confident	18 Å²	18	53.5 Å²	53.5	12%	0.117	28%	0.277	C	S	.	.			trans	-58.7	160	171.6	28.4	-36.1	0	0	0	111.5	E278 G283 L286 Q287	P276-E278 PolarHBondContact O-N 2.7Å; P276-G283 WeakPolarHBondContact CG-O 3.15Å; P276-L286 HydrophobicContact CB-CD2 3.94Å; P276-L286 HydrophobicContact CB-CG 4.47Å; P276-L286 HydrophobicContact CG-CB 4.18Å; P276-L286 HydrophobicContact CG-CD2 4.1Å; P276-L286 HydrophobicContact CG-CG 4.1Å; P276-Q287 HydrophobicContact CG-CB 4.04Å
277	I	71.1	Confident	84.2	Confident	92 Å²	92	47.7 Å²	47.7	47%	0.472	25%	0.25	S	C	.	.			trans	-68.2	105.1	-177.5	-60.3	173.9	0	0	0	110.1	S279 G283 P601	I277-S279 VanDerWaalsContact C-N 3.26Å; I277-S279 VanDerWaalsContact CG2-OG 3.27Å; I277-S279 WeakPolarHBondContact CG2-OG 3.45Å; I277-S279 PolarHBondContact O-N 3.11Å; I277-G283 WeakPolarHBondContact O-CA 3.32Å; I277-P601 HydrophobicContact CD1-CB 4.1Å; I277-P601 HydrophobicContact CG1-CB 4.27Å
278	E	63.7	Low	84.8	Confident	85 Å²	85	47 Å²	47	40%	0.397	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-3.9	-175.9	-64.6	171.7	-149.9	0	0	114.9	P276 A280 K284 Q287	P276-E278 PolarHBondContact O-N 2.7Å; E278-A280 PolarHBondContact O-N 2.88Å; E278-K284 HydrophobicContact CB-CG 4.05Å; E278-K284 WeakPolarHBondContact O-CE 3.26Å; E278-K284 VanDerWaalsContact O-CG 3.27Å; E278-K284 WeakPolarHBondContact O-CG 3.43Å; E278-Q287 VanDerWaalsContact CG-OE1 3.3Å; E278-Q287 PolarHBondContact OE1-NE2 2.78Å; E278-Q287 PolarHBondContact OE1-OE1 3.3Å
279	S	66.3	Low	85.1	Confident	109 Å²	109	47.6 Å²	47.6	76%	0.762	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.3	177.7	61.4	0	0	0	0	112.4	I277	I277-S279 VanDerWaalsContact C-N 3.26Å; I277-S279 VanDerWaalsContact CG2-OG 3.27Å; I277-S279 WeakPolarHBondContact CG2-OG 3.45Å; I277-S279 PolarHBondContact O-N 3.11Å
280	A	74	Confident	85.4	Confident	42 Å²	42	45 Å²	45	35%	0.347	23%	0.232	S	C	.	.	S	Bend	trans	-99.6	148.9	173.5	0	0	0	0	0	110.7	E278 E282 G283 K284	E278-A280 PolarHBondContact O-N 2.88Å; A280-E282 VanDerWaalsContact C-N 3.29Å; A280-E282 PolarHBondContact O-N 2.83Å; A280-G283 PolarHBondContact O-N 2.93Å; A280-G283 VanDerWaalsContact O-N 3.16Å; A280-K284 PolarHBondContact O-N 3.47Å
281	F	81.2	Confident	85.5	Confident	106 Å²	106	44.9 Å²	44.9	47%	0.465	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-41.2	-179.8	178.6	-93.7	0	0	0	111.9	G283 K284 E285 M380 R383	F281-G283 VanDerWaalsContact C-N 3.28Å; F281-G283 PolarHBondContact O-N 3.06Å; F281-K284 PolarHBondContact O-N 2.75Å; F281-E285 WeakPolarHBondContact CE1-OE2 3.22Å; F281-E285 PolarHBondContact O-N 3.44Å; F281-M380 HydrophobicContact CD2-CE 3.58Å; F281-M380 HydrophobicContact CE1-CE 4.4Å; F281-M380 HydrophobicContact CE2-CE 3.36Å; F281-M380 HydrophobicContact CG-CE 4.22Å; F281-M380 HydrophobicContact CZ-CE 3.83Å; F281-R383 VanDerWaalsContact CE1-NH2 3.34Å
282	E	82.2	Confident	85.7	Confident	137 Å²	137	44.9 Å²	44.9	64%	0.64	23%	0.232	S	C	*	.	H	α-helix	trans	-61.5	-37	178.6	-60.5	80.2	-178.5	0	0	111.6	A280 L286	A280-E282 VanDerWaalsContact C-N 3.29Å; A280-E282 PolarHBondContact O-N 2.83Å; E282-L286 WeakPolarHBondContact O-CB 3.32Å; E282-L286 PolarHBondContact O-N 3.21Å
283	G	85.1	Confident	86	Confident	9 Å²	9	42 Å²	42	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-42.4	176.7	0	0	0	0	0	112.4	P276 I277 A280 F281 L286 Q287	P276-G283 WeakPolarHBondContact CG-O 3.15Å; I277-G283 WeakPolarHBondContact O-CA 3.32Å; A280-G283 PolarHBondContact O-N 2.93Å; A280-G283 VanDerWaalsContact O-N 3.16Å; F281-G283 VanDerWaalsContact C-N 3.28Å; F281-G283 PolarHBondContact O-N 3.06Å; G283-L286 PolarHBondContact O-N 3.16Å; G283-Q287 PolarHBondContact O-N 3.28Å
284	K	88.1	Confident	86.4	Confident	81 Å²	81	39.5 Å²	39.5	35%	0.352	21%	0.206	S	C	.	.	H	α-helix	trans	-62	-46.2	174.1	-70.9	-172.1	178.7	-175	0	111.8	E278 A280 F281 L286 Q287 L288 W376 M380	E278-K284 HydrophobicContact CB-CG 4.05Å; E278-K284 WeakPolarHBondContact O-CE 3.26Å; E278-K284 VanDerWaalsContact O-CG 3.27Å; E278-K284 WeakPolarHBondContact O-CG 3.43Å; A280-K284 PolarHBondContact O-N 3.47Å; F281-K284 PolarHBondContact O-N 2.75Å; K284-L286 VanDerWaalsContact C-N 3.35Å; K284-L286 PolarHBondContact O-N 2.97Å; K284-Q287 PolarHBondContact O-N 2.9Å; K284-L288 PolarHBondContact O-N 3.43Å; K284-W376 HydrophobicContact CB-CZ3 4.26Å; K284-W376 WeakPolarHBondContact O-CH2 3.23Å; K284-W376 VanDerWaalsContact O-CZ3 3.32Å; K284-W376 WeakPolarHBondContact O-CZ3 3.29Å; K284-M380 HydrophobicContact CB-CE 3.86Å; K284-M380 HydrophobicContact CB-SD 4.25Å
285	E	93.1	Very high	86.9	Confident	19 Å²	19	39.4 Å²	39.4	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-41.1	177.6	-179.4	173.5	170.1	0	0	112	Y197 F281 Q287 L288 K289 M380 R383 V384	Y197-E285 WeakPolarHBondContact CE1-OE1 3.26Å; Y197-E285 VanDerWaalsContact CZ-OE1 3.31Å; Y197-E285 PolarHBondContact OH-OE1 3.06Å; F281-E285 WeakPolarHBondContact CE1-OE2 3.22Å; F281-E285 PolarHBondContact O-N 3.44Å; E285-Q287 VanDerWaalsContact C-N 3.34Å; E285-Q287 PolarHBondContact O-N 2.99Å; E285-L288 PolarHBondContact O-N 3.2Å; E285-K289 WeakPolarHBondContact O-CG 3.45Å; E285-K289 PolarHBondContact O-N 3.45Å; E285-M380 HydrophobicContact CB-CE 4.28Å; E285-M380 HydrophobicContact CB-SD 4.27Å; E285-R383 VanDerWaalsContact CD-NH1 3.3Å; E285-R383 IonicContact OE1-CZ 2.9Å; E285-R383 IonicContact OE1-NH1 3.97Å; E285-R383 PolarHBondContact OE1-NH1 3.49Å; E285-R383 IonicContact OE1-NH2 2.8Å; E285-R383 IonicContact OE2-CZ 3.87Å; E285-R383 VanDerWaalsContact OE2-CZ 3.29Å; E285-R383 IonicContact OE2-NH1 2.73Å; E285-R383 PolarHBondContact OE2-NH1 2.84Å; E285-R383 IonicContact OE2-NH2 2.81Å; E285-R383 PolarHBondContact OE2-NH2 3.19Å; E285-V384 HydrophobicContact CG-CG2 4.06Å
286	L	93.3	Very high	87.8	Confident	40 Å²	40	37.2 Å²	37.2	21%	0.209	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-42.1	175.9	-179.7	59.3	0	0	0	111.6	N269 I270 P276 E282 G283 K284 K289 Q290	N269-L286 HydrophobicContact CB-CD1 4.17Å; N269-L286 HydrophobicContact CB-CD2 4.46Å; I270-L286 HydrophobicContact CG1-CD1 4.16Å; P276-L286 HydrophobicContact CB-CD2 3.94Å; P276-L286 HydrophobicContact CB-CG 4.47Å; P276-L286 HydrophobicContact CG-CB 4.18Å; P276-L286 HydrophobicContact CG-CD2 4.1Å; P276-L286 HydrophobicContact CG-CG 4.1Å; E282-L286 WeakPolarHBondContact O-CB 3.32Å; E282-L286 PolarHBondContact O-N 3.21Å; G283-L286 PolarHBondContact O-N 3.16Å; K284-L286 VanDerWaalsContact C-N 3.35Å; K284-L286 PolarHBondContact O-N 2.97Å; L286-K289 WeakPolarHBondContact O-CB 3.44Å; L286-K289 PolarHBondContact O-N 3.3Å; L286-Q290 WeakPolarHBondContact O-CG 3.26Å; L286-Q290 PolarHBondContact O-N 3.42Å
287	Q	93.4	Very high	89	Confident	7 Å²	7	36.4 Å²	36.4	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-42.4	175.8	-178.9	-175.9	33.9	0	0	112.1	P276 E278 G283 K284 E285 K289 Q290 E291 W376	P276-Q287 HydrophobicContact CG-CB 4.04Å; E278-Q287 VanDerWaalsContact CG-OE1 3.3Å; E278-Q287 PolarHBondContact OE1-NE2 2.78Å; E278-Q287 PolarHBondContact OE1-OE1 3.3Å; G283-Q287 PolarHBondContact O-N 3.28Å; K284-Q287 PolarHBondContact O-N 2.9Å; E285-Q287 VanDerWaalsContact C-N 3.34Å; E285-Q287 PolarHBondContact O-N 2.99Å; Q287-K289 VanDerWaalsContact C-N 3.29Å; Q287-K289 PolarHBondContact O-N 3.29Å; Q287-Q290 WeakPolarHBondContact O-CB 3.49Å; Q287-Q290 PolarHBondContact O-N 3.22Å; Q287-Q290 VanDerWaalsContact O-N 3.16Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.37Å; Q287-E291 PolarHBondContact O-N 3.16Å; Q287-W376 HydrophobicContact CB-CH2 4.02Å; Q287-W376 HydrophobicContact CG-CH2 3.93Å; Q287-W376 HydrophobicContact CG-CZ2 4.31Å
288	L	95.9	Very high	90.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-43.1	172.5	175.5	62	0	0	0	111.2	K284 E285 E291 Y292 L333 W376 M380 L381 V384 L385	K284-L288 PolarHBondContact O-N 3.43Å; E285-L288 PolarHBondContact O-N 3.2Å; L288-E291 PolarHBondContact O-N 3.37Å; L288-Y292 PolarHBondContact O-N 3Å; L288-L333 HydrophobicContact CD1-CD1 3.65Å; L288-W376 HydrophobicContact CB-CD2 4.45Å; L288-W376 HydrophobicContact CB-CE3 4.28Å; L288-W376 HydrophobicContact CB-CH2 3.85Å; L288-W376 HydrophobicContact CB-CZ2 3.99Å; L288-W376 HydrophobicContact CB-CZ3 3.99Å; L288-W376 HydrophobicContact CD1-CD2 4.1Å; L288-W376 HydrophobicContact CD1-CG 4.3Å; L288-W376 HydrophobicContact CD1-CZ2 4.29Å; L288-M380 HydrophobicContact CD2-CG 3.97Å; L288-M380 HydrophobicContact CD2-SD 4.27Å; L288-L381 HydrophobicContact CD1-CD1 3.75Å; L288-L381 HydrophobicContact CD2-CD1 4.03Å; L288-V384 HydrophobicContact CD2-CB 4.01Å; L288-V384 HydrophobicContact CD2-CG1 4.31Å; L288-V384 HydrophobicContact CD2-CG2 4.11Å; L288-L385 HydrophobicContact CD1-CD1 4.4Å
289	K	96.4	Very high	92	Very high	34 Å²	34	28 Å²	28	15%	0.148	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-40.3	175.2	-72.8	-177.9	177	-175	0	112.5	F196 Y197 I270 E285 L286 Q287 F293 V384	F196-K289 HydrophobicContact CD1-CB 4.5Å; F196-K289 HydrophobicContact CD1-CG 3.95Å; F196-K289 HydrophobicContact CE1-CB 3.83Å; F196-K289 HydrophobicContact CE1-CG 3.79Å; F196-K289 HydrophobicContact CZ-CB 4.12Å; F196-K289 HydrophobicContact CZ-CG 4.38Å; F196-K289 WeakPolarHBondContact CZ-O 3.38Å; Y197-K289 WeakPolarHBondContact OH-CE 3.41Å; Y197-K289 PolarHBondContact OH-NZ 2.8Å; I270-K289 HydrophobicContact CD1-CB 4.1Å; I270-K289 HydrophobicContact CG1-CB 4.24Å; E285-K289 WeakPolarHBondContact O-CG 3.45Å; E285-K289 PolarHBondContact O-N 3.45Å; L286-K289 WeakPolarHBondContact O-CB 3.44Å; L286-K289 PolarHBondContact O-N 3.3Å; Q287-K289 VanDerWaalsContact C-N 3.29Å; Q287-K289 PolarHBondContact O-N 3.29Å; K289-F293 WeakPolarHBondContact O-CB 3.35Å; K289-F293 PolarHBondContact O-N 2.93Å; K289-V384 HydrophobicContact CG-CG1 4.29Å
290	Q	97.1	Very high	93.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-48.4	175.5	-72.5	-179.3	-30.6	0	0	111.9	M81 I153 I270 V273 L286 Q287 F293 L294	M81-Q290 HydrophobicContact CE-CB 3.71Å; I153-Q290 HydrophobicContact CD1-CB 3.96Å; I153-Q290 HydrophobicContact CD1-CG 4.49Å; I153-Q290 WeakPolarHBondContact CD1-O 3.49Å; I270-Q290 HydrophobicContact CG2-CG 4.05Å; I270-Q290 WeakPolarHBondContact O-CG 3.1Å; I270-Q290 PolarHBondContact O-NE2 3.23Å; V273-Q290 PolarHBondContact O-NE2 2.94Å; L286-Q290 WeakPolarHBondContact O-CG 3.26Å; L286-Q290 PolarHBondContact O-N 3.42Å; Q287-Q290 WeakPolarHBondContact O-CB 3.49Å; Q287-Q290 PolarHBondContact O-N 3.22Å; Q287-Q290 VanDerWaalsContact O-N 3.16Å; Q290-F293 WeakPolarHBondContact O-CB 3.13Å; Q290-F293 PolarHBondContact O-N 3.28Å; Q290-L294 PolarHBondContact O-N 3.28Å
291	E	97.7	Very high	94.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-46.6	179.7	-75.7	168.9	-152.6	0	0	111.8	M81 Q287 L288 F293 L294 V295 H330 K374	M81-E291 HydrophobicContact CE-CG 4.16Å; M81-E291 HydrophobicContact CG-CG 4.35Å; M81-E291 HydrophobicContact SD-CG 4.09Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.37Å; Q287-E291 PolarHBondContact O-N 3.16Å; L288-E291 PolarHBondContact O-N 3.37Å; E291-F293 PolarHBondContact O-N 3.48Å; E291-L294 PolarHBondContact O-N 2.84Å; E291-V295 WeakPolarHBondContact O-CG1 3.43Å; E291-V295 PolarHBondContact O-N 3.02Å; E291-V295 VanDerWaalsContact O-N 3.14Å; E291-H330 WeakPolarHBondContact CB-O 3.4Å; E291-H330 HydrophobicContact CG-CB 4.16Å; E291-H330 VanDerWaalsContact CG-O 3.31Å; E291-H330 WeakPolarHBondContact CG-O 3.5Å; E291-H330 IonicContact OE1-CD2 3.68Å; E291-K374 IonicContact OE1-NZ 2.67Å; E291-K374 PolarHBondContact OE1-NZ 2.99Å; E291-K374 IonicContact OE2-NZ 3.89Å; E291-K374 PolarHBondContact OE2-NZ 3.49Å
292	Y	98.5	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-39.1	177.2	-174.4	-105.6	0	0	0	112.7	V194 Q195 F196 W210 L288 L294 V295 S296 L333 E337 L385 H388	V194-Y292 HydrophobicContact CG1-CD1 3.92Å; V194-Y292 HydrophobicContact CG1-CE1 3.82Å; Q195-Y292 WeakPolarHBondContact O-CE1 3.12Å; F196-Y292 HydrophobicContact CD1-CD1 4.02Å; F196-Y292 AromaticContact CE1-CD1 3.51Å; F196-Y292 HydrophobicContact CE1-CD1 3.51Å; F196-Y292 HydrophobicContact CE1-CE1 4.47Å; F196-Y292 HydrophobicContact CE1-CG 4.24Å; F196-Y292 HydrophobicContact CZ-CD1 4.01Å; W210-Y292 HydrophobicContact CH2-CE1 4.14Å; W210-Y292 HydrophobicContact CZ3-CE1 4.33Å; W210-Y292 WeakPolarHBondContact CZ3-OH 3.3Å; L288-Y292 PolarHBondContact O-N 3Å; Y292-L294 PolarHBondContact O-N 3.47Å; Y292-V295 HydrophobicContact CD2-CG2 4Å; Y292-V295 HydrophobicContact CE2-CG2 4.49Å; Y292-V295 WeakPolarHBondContact O-CG2 3.41Å; Y292-V295 PolarHBondContact O-N 3.28Å; Y292-S296 WeakPolarHBondContact O-CB 2.89Å; Y292-S296 PolarHBondContact O-N 3.4Å; Y292-L333 HydrophobicContact CD2-CB 4.48Å; Y292-L333 HydrophobicContact CD2-CD1 4.44Å; Y292-E337 HydrophobicContact CE2-CB 4.28Å; Y292-E337 HydrophobicContact CE2-CG 4.33Å; Y292-E337 VanDerWaalsContact OH-CD 3.29Å; Y292-E337 PolarHBondContact OH-OE1 2.95Å; Y292-E337 PolarHBondContact OH-OE2 3.17Å; Y292-L385 HydrophobicContact CD1-CD2 3.54Å; Y292-L385 HydrophobicContact CD2-CD1 3.66Å; Y292-L385 HydrophobicContact CD2-CD2 3.8Å; Y292-L385 HydrophobicContact CD2-CG 4.42Å; Y292-L385 HydrophobicContact CE1-CD2 3.69Å; Y292-L385 HydrophobicContact CE2-CD1 4.34Å; Y292-L385 HydrophobicContact CE2-CD2 3.96Å; Y292-L385 HydrophobicContact CG-CD1 3.79Å; Y292-L385 HydrophobicContact CG-CD2 3.57Å; Y292-L385 HydrophobicContact CG-CG 4.34Å; Y292-H388 AromaticContact CE2-CD2 3.82Å; Y292-H388 AromaticContact CE2-CE1 3.55Å; Y292-H388 AromaticContact CE2-NE2 3.18Å; Y292-H388 WeakPolarHBondContact CE2-NE2 3.43Å; Y292-H388 AromaticContact CZ-CE1 3.53Å; Y292-H388 AromaticContact CZ-NE2 3.53Å; Y292-H388 PolarHBondContact OH-CE1 2.92Å; Y292-H388 PolarHBondContact OH-NE2 3.18Å
293	F	98.4	Very high	96.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.9	-47.1	176	176.1	-100.8	0	0	0	112	I153 V194 F196 I216 A218 W239 A241 I270 K289 Q290 E291 A297	I153-F293 HydrophobicContact CD1-CD1 4.34Å; I153-F293 HydrophobicContact CG1-CD1 4.4Å; V194-F293 HydrophobicContact CB-CD2 4.12Å; V194-F293 HydrophobicContact CG1-CD2 4.35Å; V194-F293 HydrophobicContact CG2-CD2 3.84Å; V194-F293 HydrophobicContact CG2-CE2 4.21Å; F196-F293 HydrophobicContact CZ-CB 4.18Å; I216-F293 HydrophobicContact CG2-CD2 4.49Å; I216-F293 HydrophobicContact CG2-CE2 4.1Å; A218-F293 HydrophobicContact CB-CD2 4.47Å; A218-F293 HydrophobicContact CB-CE2 3.53Å; A218-F293 HydrophobicContact CB-CZ 3.56Å; W239-F293 HydrophobicContact CB-CD1 4.34Å; W239-F293 HydrophobicContact CB-CE1 3.47Å; W239-F293 VanDerWaalsContact CB-CE1 3.47Å; W239-F293 HydrophobicContact CB-CZ 3.94Å; A241-F293 HydrophobicContact CB-CE1 4.29Å; A241-F293 HydrophobicContact CB-CE2 3.94Å; A241-F293 HydrophobicContact CB-CZ 3.76Å; I270-F293 HydrophobicContact CG2-CB 3.7Å; I270-F293 HydrophobicContact CG2-CD1 3.71Å; I270-F293 HydrophobicContact CG2-CD2 4.23Å; I270-F293 HydrophobicContact CG2-CE1 4.37Å; I270-F293 HydrophobicContact CG2-CG 3.63Å; K289-F293 WeakPolarHBondContact O-CB 3.35Å; K289-F293 PolarHBondContact O-N 2.93Å; Q290-F293 WeakPolarHBondContact O-CB 3.13Å; Q290-F293 PolarHBondContact O-N 3.28Å; E291-F293 PolarHBondContact O-N 3.48Å; F293-A297 VanDerWaalsContact O-CB 3.31Å; F293-A297 WeakPolarHBondContact O-CB 3.4Å; F293-A297 PolarHBondContact O-N 3.41Å
294	L	98.5	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.3	-52.5	175.5	171.9	58	0	0	0	111.3	M81 I153 Q290 E291 Y292 T298	M81-L294 HydrophobicContact CG-CD2 4.36Å; M81-L294 HydrophobicContact SD-CB 4.43Å; M81-L294 HydrophobicContact SD-CD2 3.73Å; I153-L294 HydrophobicContact CD1-CB 4.19Å; I153-L294 HydrophobicContact CG1-CB 4.07Å; Q290-L294 PolarHBondContact O-N 3.28Å; E291-L294 PolarHBondContact O-N 2.84Å; Y292-L294 PolarHBondContact O-N 3.47Å; L294-T298 WeakPolarHBondContact O-CB 3.36Å; L294-T298 PolarHBondContact O-N 2.91Å; L294-T298 VanDerWaalsContact O-N 3.11Å; L294-T298 PolarHBondContact O-OG1 3.29Å
295	V	98.7	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-71.1	-40.3	-172	-57.4	0	0	0	0	112.3	L79 E291 Y292 L299 P331 L333 A334	L79-V295 HydrophobicContact CD2-CG1 4.43Å; E291-V295 WeakPolarHBondContact O-CG1 3.43Å; E291-V295 PolarHBondContact O-N 3.02Å; E291-V295 VanDerWaalsContact O-N 3.14Å; Y292-V295 HydrophobicContact CD2-CG2 4Å; Y292-V295 HydrophobicContact CE2-CG2 4.49Å; Y292-V295 WeakPolarHBondContact O-CG2 3.41Å; Y292-V295 PolarHBondContact O-N 3.28Å; V295-L299 WeakPolarHBondContact O-CB 3.08Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.15Å; V295-L299 PolarHBondContact O-N 3.15Å; V295-P331 HydrophobicContact CG1-CB 3.93Å; V295-P331 WeakPolarHBondContact CG1-O 3.39Å; V295-L333 HydrophobicContact CG2-CB 3.95Å; V295-A334 HydrophobicContact CB-CB 3.91Å; V295-A334 HydrophobicContact CG1-CB 3.86Å
296	S	98.8	Very high	96.7	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	7%	0.073	C	C	.	.	H	α-helix	trans	-68.7	-45.3	-178.6	-171.9	0	0	0	0	111.4	Y292 T298 L299 Q300 E337	Y292-S296 WeakPolarHBondContact O-CB 2.89Å; Y292-S296 PolarHBondContact O-N 3.4Å; S296-T298 PolarHBondContact O-N 3.37Å; S296-L299 PolarHBondContact O-N 3.21Å; S296-Q300 WeakPolarHBondContact O-CB 3.49Å; S296-Q300 VanDerWaalsContact O-CG 3.23Å; S296-Q300 WeakPolarHBondContact O-CG 3.39Å; S296-Q300 PolarHBondContact O-N 3.46Å; S296-Q300 VanDerWaalsContact O-N 3.08Å; S296-Q300 PolarHBondContact O-NE2 3.02Å; S296-Q300 PolarHBondContact OG-NE2 3.49Å; S296-Q300 VanDerWaalsContact OG-NE2 3.11Å; S296-E337 WeakPolarHBondContact CB-OE1 3.38Å; S296-E337 PolarHBondContact OG-OE1 3.39Å
297	A	98.7	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.3	-44	177.1	0	0	0	0	0	111.7	V194 A218 W239 F293 D301	V194-A297 HydrophobicContact CG2-CB 4.1Å; A218-A297 HydrophobicContact CB-CB 3.5Å; A218-A297 VanDerWaalsContact CB-CB 3.5Å; W239-A297 HydrophobicContact CD2-CB 3.64Å; W239-A297 HydrophobicContact CE3-CB 4.04Å; W239-A297 HydrophobicContact CG-CB 3.93Å; W239-A297 HydrophobicContact CH2-CB 4.45Å; W239-A297 HydrophobicContact CZ2-CB 4.1Å; W239-A297 WeakPolarHBondContact CZ2-O 3.42Å; W239-A297 HydrophobicContact CZ3-CB 4.4Å; F293-A297 VanDerWaalsContact O-CB 3.31Å; F293-A297 WeakPolarHBondContact O-CB 3.4Å; F293-A297 PolarHBondContact O-N 3.41Å; A297-D301 WeakPolarHBondContact O-CB 3.37Å; A297-D301 PolarHBondContact O-N 2.93Å; A297-D301 VanDerWaalsContact O-N 3.11Å
298	T	98.7	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-46.8	178.4	-65.5	0	0	0	0	112.5	L79 Y151 W239 L294 S296 D301 I302	L79-T298 HydrophobicContact CD1-CG2 3.84Å; L79-T298 HydrophobicContact CD2-CG2 4.2Å; L79-T298 HydrophobicContact CG-CG2 4.07Å; Y151-T298 HydrophobicContact CD1-CG2 3.62Å; Y151-T298 VanDerWaalsContact CD1-OG1 3.31Å; Y151-T298 WeakPolarHBondContact CD1-OG1 3.3Å; Y151-T298 HydrophobicContact CD2-CG2 3.74Å; Y151-T298 HydrophobicContact CE1-CG2 3.98Å; Y151-T298 HydrophobicContact CE2-CG2 4.12Å; Y151-T298 HydrophobicContact CG-CG2 3.47Å; Y151-T298 VanDerWaalsContact CG-CG2 3.47Å; W239-T298 PolarHBondContact NE1-OG1 3.04Å; L294-T298 WeakPolarHBondContact O-CB 3.36Å; L294-T298 PolarHBondContact O-N 2.91Å; L294-T298 VanDerWaalsContact O-N 3.11Å; L294-T298 PolarHBondContact O-OG1 3.29Å; S296-T298 PolarHBondContact O-N 3.37Å; T298-D301 WeakPolarHBondContact O-CB 3.44Å; T298-D301 PolarHBondContact O-N 3.44Å; T298-I302 HydrophobicContact CG2-CD1 3.67Å; T298-I302 HydrophobicContact CG2-CG1 4.29Å; T298-I302 WeakPolarHBondContact O-CG1 3.41Å; T298-I302 PolarHBondContact O-N 2.77Å
299	L	98.7	Very high	95.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-41.4	-179.2	-75	170.1	0	0	0	112.3	V295 S296 D301 I302 L303 I324 A334 E337 L338 I341 F361	V295-L299 WeakPolarHBondContact O-CB 3.08Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.15Å; V295-L299 PolarHBondContact O-N 3.15Å; S296-L299 PolarHBondContact O-N 3.21Å; L299-D301 PolarHBondContact O-N 3Å; L299-I302 PolarHBondContact O-N 3.09Å; L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 VanDerWaalsContact O-CG 3.31Å; L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 3.17Å; L299-I324 HydrophobicContact CD2-CD1 3.44Å; L299-I324 VanDerWaalsContact CD2-CD1 3.44Å; L299-A334 HydrophobicContact CD1-CB 4.06Å; L299-A334 WeakPolarHBondContact CD1-O 3.35Å; L299-E337 HydrophobicContact CD1-CB 3.73Å; L299-E337 HydrophobicContact CD1-CG 3.54Å; L299-L338 HydrophobicContact CD1-CB 4.18Å; L299-L338 HydrophobicContact CD2-CB 4.36Å; L299-L338 HydrophobicContact CD2-CD1 4.45Å; L299-I341 HydrophobicContact CB-CD1 4.12Å; L299-F361 HydrophobicContact CD2-CZ 4.4Å
300	Q	98.3	Very high	94.5	Very high	52 Å²	52	24.3 Å²	24.3	24%	0.243	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-39.9	173.2	-72.7	177.1	60.5	0	0	111.6	R192 I193 S296 Y304	R192-Q300 HydrophobicContact CG-CB 4.19Å; I193-Q300 PolarHBondContact O-NE2 3.23Å; I193-Q300 PolarHBondContact O-OE1 2.95Å; S296-Q300 WeakPolarHBondContact O-CB 3.49Å; S296-Q300 VanDerWaalsContact O-CG 3.23Å; S296-Q300 WeakPolarHBondContact O-CG 3.39Å; S296-Q300 PolarHBondContact O-N 3.46Å; S296-Q300 VanDerWaalsContact O-N 3.08Å; S296-Q300 PolarHBondContact O-NE2 3.02Å; S296-Q300 PolarHBondContact OG-NE2 3.49Å; S296-Q300 VanDerWaalsContact OG-NE2 3.11Å; Q300-Y304 VanDerWaalsContact O-CB 3.26Å; Q300-Y304 WeakPolarHBondContact O-CB 3.45Å; Q300-Y304 PolarHBondContact O-N 3.29Å
301	D	97.9	Very high	93.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-70.8	-44.3	179	-175.8	54.9	0	0	0	113.4	Y151 R192 R237 W239 A297 T298 L299 L303 Y304 Q305	Y151-D301 WeakPolarHBondContact CE1-OD2 3.12Å; Y151-D301 PolarHBondContact OH-OD2 2.65Å; R192-D301 IonicContact CZ-OD1 3.9Å; R192-D301 IonicContact NE-OD1 2.63Å; R192-D301 IonicContact NH2-OD1 2.89Å; R192-D301 PolarHBondContact NH2-OD1 2.92Å; R192-D301 VanDerWaalsContact NH2-OD1 3.07Å; R237-D301 IonicContact CZ-OD2 2.66Å; R237-D301 IonicContact NH1-OD1 3.58Å; R237-D301 PolarHBondContact NH1-OD1 3.27Å; R237-D301 IonicContact NH1-OD2 3.13Å; R237-D301 PolarHBondContact NH1-OD2 2.97Å; W239-D301 HydrophobicContact CH2-CB 3.85Å; W239-D301 HydrophobicContact CZ2-CB 3.82Å; A297-D301 WeakPolarHBondContact O-CB 3.37Å; A297-D301 PolarHBondContact O-N 2.93Å; A297-D301 VanDerWaalsContact O-N 3.11Å; T298-D301 WeakPolarHBondContact O-CB 3.44Å; T298-D301 PolarHBondContact O-N 3.44Å; L299-D301 PolarHBondContact O-N 3Å; D301-L303 PolarHBondContact O-N 3.34Å; D301-Y304 PolarHBondContact O-N 2.79Å; D301-Q305 WeakPolarHBondContact O-CG 3.45Å; D301-Q305 PolarHBondContact O-N 3Å; D301-Q305 PolarHBondContact OD1-NE2 2.73Å; D301-Q305 PolarHBondContact OD2-NE2 3.1Å
302	I	97	Very high	92.8	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-48.6	174.7	-71.3	169.6	0	0	0	110.4	C77 Y151 T298 L299 Y304 Q305 F306 V322 I324	C77-I302 HydrophobicContact CB-CD1 3.74Å; Y151-I302 HydrophobicContact CE2-CD1 4.49Å; Y151-I302 HydrophobicContact CE2-CG1 4.35Å; T298-I302 HydrophobicContact CG2-CD1 3.67Å; T298-I302 HydrophobicContact CG2-CG1 4.29Å; T298-I302 WeakPolarHBondContact O-CG1 3.41Å; T298-I302 PolarHBondContact O-N 2.77Å; L299-I302 PolarHBondContact O-N 3.09Å; I302-Y304 PolarHBondContact O-N 3.04Å; I302-Q305 PolarHBondContact O-N 3.02Å; I302-F306 WeakPolarHBondContact O-CB 3.36Å; I302-F306 PolarHBondContact O-N 2.99Å; I302-V322 HydrophobicContact CG2-CG1 3.91Å; I302-V322 HydrophobicContact CG2-CG2 4.13Å; I302-I324 HydrophobicContact CD1-CD1 3.89Å; I302-I324 HydrophobicContact CD1-CG1 4.13Å
303	L	96.1	Very high	92.1	Very high	10 Å²	10	39 Å²	39	5%	0.052	21%	0.205	C	C	.	.	H	α-helix	trans	-66.9	-37.4	-179.6	-69.4	171.4	0	0	0	112.1	L299 D301 K307 L315 L318 L338 I341	L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 VanDerWaalsContact O-CG 3.31Å; L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 3.17Å; D301-L303 PolarHBondContact O-N 3.34Å; L303-K307 WeakPolarHBondContact O-CB 3.39Å; L303-K307 VanDerWaalsContact O-CG 3.3Å; L303-K307 WeakPolarHBondContact O-CG 3.45Å; L303-K307 PolarHBondContact O-N 2.79Å; L303-L315 HydrophobicContact CD2-CD2 4.48Å; L303-L318 HydrophobicContact CD2-CD1 4.39Å; L303-L318 HydrophobicContact CD2-CD2 3.92Å; L303-L338 HydrophobicContact CD1-CD1 4.29Å; L303-L338 HydrophobicContact CD2-CD1 4.48Å; L303-I341 HydrophobicContact CD1-CB 4.17Å; L303-I341 HydrophobicContact CD1-CD1 3.94Å; L303-I341 HydrophobicContact CD1-CG2 3.49Å; L303-I341 VanDerWaalsContact CD1-CG2 3.49Å
304	Y	94.3	Very high	91.8	Very high	130 Å²	130	45.4 Å²	45.4	51%	0.51	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-46.8	173.2	175.9	-92.7	0	0	0	111.6	R192 Q300 D301 I302 S308	R192-Y304 VanDerWaalsContact NH2-CG 3.34Å; Q300-Y304 VanDerWaalsContact O-CB 3.26Å; Q300-Y304 WeakPolarHBondContact O-CB 3.45Å; Q300-Y304 PolarHBondContact O-N 3.29Å; D301-Y304 PolarHBondContact O-N 2.79Å; I302-Y304 PolarHBondContact O-N 3.04Å; Y304-S308 VanDerWaalsContact O-CB 3.24Å; Y304-S308 WeakPolarHBondContact O-CB 3.05Å; Y304-S308 PolarHBondContact O-N 2.94Å; Y304-S308 PolarHBondContact O-OG 2.85Å
305	Q	91.6	Very high	91.5	Very high	48 Å²	48	46.6 Å²	46.6	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-48.1	178	-70.2	179.3	38.2	0	0	111.6	D301 I302 K307 S308 S309	D301-Q305 WeakPolarHBondContact O-CG 3.45Å; D301-Q305 PolarHBondContact O-N 3Å; D301-Q305 PolarHBondContact OD1-NE2 2.73Å; D301-Q305 PolarHBondContact OD2-NE2 3.1Å; I302-Q305 PolarHBondContact O-N 3.02Å; Q305-K307 VanDerWaalsContact C-N 3.32Å; Q305-K307 PolarHBondContact O-N 3.25Å; Q305-S308 PolarHBondContact O-N 2.98Å; Q305-S309 WeakPolarHBondContact O-CB 3.49Å; Q305-S309 PolarHBondContact O-N 2.8Å; Q305-S309 PolarHBondContact O-OG 3.38Å; Q305-S309 VanDerWaalsContact O-OG 3.09Å
306	F	92.8	Very high	91.3	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.057	26%	0.258	C	S	.	.	H	α-helix	trans	-53.2	-48.6	177.1	176.4	-97.7	0	0	0	111.8	I302 Y313 L315 E317 L318 K321	I302-F306 WeakPolarHBondContact O-CB 3.36Å; I302-F306 PolarHBondContact O-N 2.99Å; F306-Y313 HydrophobicContact CD2-CD2 4.42Å; F306-Y313 AromaticContact CE2-CD2 3.81Å; F306-Y313 HydrophobicContact CE2-CD2 3.81Å; F306-Y313 HydrophobicContact CZ-CD2 4.05Å; F306-Y313 HydrophobicContact CZ-CG 4.32Å; F306-L315 HydrophobicContact CE1-CD2 4.35Å; F306-E317 HydrophobicContact CZ-CB 4.13Å; F306-L318 HydrophobicContact CB-CD1 4.34Å; F306-L318 HydrophobicContact CD1-CD1 4.3Å; F306-L318 HydrophobicContact CD2-CD1 3.83Å; F306-L318 HydrophobicContact CE2-CB 4.35Å; F306-L318 HydrophobicContact CE2-CD1 4.18Å; F306-L318 HydrophobicContact CG-CD1 3.89Å; F306-L318 HydrophobicContact CZ-CB 4.21Å; F306-K321 HydrophobicContact CD2-CB 4.07Å; F306-K321 HydrophobicContact CE2-CB 3.82Å; F306-K321 HydrophobicContact CE2-CG 4Å
307	K	91.1	Very high	91.1	Very high	79 Å²	79	54 Å²	54	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-71.8	-33.9	179.8	-69.5	177	169.7	-163.5	0	114.1	L303 Q305 E346	L303-K307 WeakPolarHBondContact O-CB 3.39Å; L303-K307 VanDerWaalsContact O-CG 3.3Å; L303-K307 WeakPolarHBondContact O-CG 3.45Å; L303-K307 PolarHBondContact O-N 2.79Å; Q305-K307 VanDerWaalsContact C-N 3.32Å; Q305-K307 PolarHBondContact O-N 3.25Å; K307-E346 IonicContact NZ-OE1 3.07Å; K307-E346 PolarHBondContact NZ-OE1 2.79Å; K307-E346 IonicContact NZ-OE2 2.67Å; K307-E346 PolarHBondContact NZ-OE2 3.31Å
308	S	85.6	Confident	91	Very high	60 Å²	60	54.1 Å²	54.1	42%	0.42	28%	0.275	S	S	.	.	H	α-helix	trans	-78.7	-36.6	-175.8	-57.9	0	0	0	0	112.5	Y304 Q305	Y304-S308 VanDerWaalsContact O-CB 3.24Å; Y304-S308 WeakPolarHBondContact O-CB 3.05Å; Y304-S308 PolarHBondContact O-N 2.94Å; Y304-S308 PolarHBondContact O-OG 2.85Å; Q305-S308 PolarHBondContact O-N 2.98Å
309	S	77	Confident	90.9	Very high	62 Å²	62	54.4 Å²	54.4	43%	0.434	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-37.3	-177.6	-60.8	0	0	0	0	111.8	Q305	Q305-S309 WeakPolarHBondContact O-CB 3.49Å; Q305-S309 PolarHBondContact O-N 2.8Å; Q305-S309 PolarHBondContact O-OG 3.38Å; Q305-S309 VanDerWaalsContact O-OG 3.09Å
310	Y	78.6	Confident	90.7	Very high	46 Å²	46	58.2 Å²	58.2	18%	0.18	30%	0.297	C	S	.	.			trans	-139.5	88	-177.7	-56.8	-78.6	0	0	0	111	A69 D72 T312 Y313	A69-Y310 PolarHBondContact O-OH 2.94Å; D72-Y310 HydrophobicContact CB-CE1 4.21Å; D72-Y310 HydrophobicContact CB-CE2 3.66Å; D72-Y310 VanDerWaalsContact CB-CZ 3.44Å; D72-Y310 WeakPolarHBondContact CB-OH 3.48Å; D72-Y310 VanDerWaalsContact CG-CZ 3.4Å; D72-Y310 WeakPolarHBondContact OD1-CE2 3.41Å; D72-Y310 WeakPolarHBondContact OD2-CE2 3.47Å; Y310-T312 PolarHBondContact O-N 3.43Å; Y310-Y313 VanDerWaalsContact CB-CD2 3.5Å; Y310-Y313 HydrophobicContact CD2-CD2 4.12Å; Y310-Y313 AromaticContact CD2-CE2 3.58Å; Y310-Y313 HydrophobicContact CD2-CE2 3.58Å; Y310-Y313 HydrophobicContact CG-CD2 4.07Å; Y310-Y313 HydrophobicContact CG-CE1 4.45Å; Y310-Y313 AromaticContact CG-CE2 3.62Å; Y310-Y313 HydrophobicContact CG-CE2 3.62Å; Y310-Y313 AromaticContact CG-CZ 3.84Å; Y310-Y313 WeakPolarHBondContact O-CB 3.49Å; Y310-Y313 PolarHBondContact O-N 3.1Å
311	P	77	Confident	90.6	Very high	115 Å²	115	57.8 Å²	57.8	75%	0.747	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.7	-179	-25.9	35.2	0	0	0	114.8
312	T	82.1	Confident	90.5	Very high	125 Å²	125	58.2 Å²	58.2	77%	0.767	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.9	177.2	53.1	0	0	0	0	113.5	Y310	Y310-T312 PolarHBondContact O-N 3.43Å
313	Y	84.4	Confident	90.6	Very high	68 Å²	68	58 Å²	58	27%	0.267	30%	0.296	S	S	.	.			trans	-77	130.8	-179.8	-72.7	-6.7	0	0	0	112.3	D72 F306 Y310 K321	D72-Y313 WeakPolarHBondContact OD2-CE2 3.49Å; D72-Y313 PolarHBondContact OD2-OH 3.16Å; F306-Y313 HydrophobicContact CD2-CD2 4.42Å; F306-Y313 AromaticContact CE2-CD2 3.81Å; F306-Y313 HydrophobicContact CE2-CD2 3.81Å; F306-Y313 HydrophobicContact CZ-CD2 4.05Å; F306-Y313 HydrophobicContact CZ-CG 4.32Å; Y310-Y313 VanDerWaalsContact CB-CD2 3.5Å; Y310-Y313 HydrophobicContact CD2-CD2 4.12Å; Y310-Y313 AromaticContact CD2-CE2 3.58Å; Y310-Y313 HydrophobicContact CD2-CE2 3.58Å; Y310-Y313 HydrophobicContact CG-CD2 4.07Å; Y310-Y313 HydrophobicContact CG-CE1 4.45Å; Y310-Y313 AromaticContact CG-CE2 3.62Å; Y310-Y313 HydrophobicContact CG-CE2 3.62Å; Y310-Y313 AromaticContact CG-CZ 3.84Å; Y310-Y313 WeakPolarHBondContact O-CB 3.49Å; Y310-Y313 PolarHBondContact O-N 3.1Å; Y313-K321 HydrophobicContact CD2-CG 4.36Å; Y313-K321 HydrophobicContact CE2-CD 4Å; Y313-K321 HydrophobicContact CE2-CG 3.94Å; Y313-K321 VanDerWaalsContact OH-CE 3.29Å; Y313-K321 WeakPolarHBondContact OH-CE 3.33Å; Y313-K321 PolarHBondContact OH-NZ 3.38Å
314	E	91.5	Very high	90.7	Very high	135 Å²	135	57.6 Å²	57.6	63%	0.631	29%	0.294	S	S	*	.			trans	-81.1	153.1	164.5	-60.7	-171.8	171.8	0	0	109.7	F316 E317	E314-F316 PolarHBondContact O-N 3.36Å; E314-F316 VanDerWaalsContact O-N 3.1Å; E314-E317 WeakPolarHBondContact O-CB 3.44Å; E314-E317 PolarHBondContact O-N 3.24Å
315	L	93	Very high	90.9	Very high	26 Å²	26	51.4 Å²	51.4	14%	0.136	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23.6	-179.9	-70.8	168.7	0	0	0	113	L303 F306 E317 L318 L342 E346 M348 I356	L303-L315 HydrophobicContact CD2-CD2 4.48Å; F306-L315 HydrophobicContact CE1-CD2 4.35Å; L315-E317 PolarHBondContact O-N 3.28Å; L315-L318 WeakPolarHBondContact O-CB 3.48Å; L315-L318 PolarHBondContact O-N 3.39Å; L315-L342 HydrophobicContact CD1-CD2 4.15Å; L315-L342 HydrophobicContact CD2-CD2 4.39Å; L315-E346 HydrophobicContact CD1-CB 3.6Å; L315-E346 HydrophobicContact CD1-CG 3.64Å; L315-M348 HydrophobicContact CB-SD 3.9Å; L315-M348 HydrophobicContact CD1-CG 4.32Å; L315-M348 HydrophobicContact CD1-SD 3.67Å; L315-M348 HydrophobicContact CG-SD 4.45Å; L315-I356 HydrophobicContact CB-CD1 4.37Å
316	F	94.7	Very high	91.3	Very high	78 Å²	78	49.1 Å²	49.1	34%	0.342	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-62	-21.4	174.2	-69.4	-74.5	0	0	0	114	E314 L318 P319 M348 D352 I356	E314-F316 PolarHBondContact O-N 3.36Å; E314-F316 VanDerWaalsContact O-N 3.1Å; F316-L318 VanDerWaalsContact C-N 3.32Å; F316-P319 VanDerWaalsContact O-CD 3.3Å; F316-P319 WeakPolarHBondContact O-CD 3.37Å; F316-M348 HydrophobicContact CD1-CE 4.46Å; F316-M348 HydrophobicContact CE1-CE 3.92Å; F316-M348 HydrophobicContact CE2-CE 3.99Å; F316-M348 HydrophobicContact CZ-CE 3.65Å; F316-D352 HydrophobicContact CE1-CB 3.71Å; F316-D352 HydrophobicContact CZ-CB 3.8Å; F316-I356 HydrophobicContact CD1-CD1 3.94Å; F316-I356 HydrophobicContact CD1-CG1 4.21Å; F316-I356 HydrophobicContact CE1-CD1 4.33Å; F316-I356 HydrophobicContact CG-CD1 4.39Å
317	E	94.9	Very high	91.5	Very high	79 Å²	79	48.5 Å²	48.5	37%	0.369	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-81	-10.4	175.2	-67.3	-60.5	148.1	0	0	113.1	F306 E314 L315 P319 N320 K321	F306-E317 HydrophobicContact CZ-CB 4.13Å; E314-E317 WeakPolarHBondContact O-CB 3.44Å; E314-E317 PolarHBondContact O-N 3.24Å; L315-E317 PolarHBondContact O-N 3.28Å; E317-P319 VanDerWaalsContact C-CD 3.46Å; E317-N320 WeakPolarHBondContact O-CA 3.41Å; E317-N320 WeakPolarHBondContact O-CB 3.39Å; E317-N320 PolarHBondContact O-N 2.77Å; E317-N320 PolarHBondContact OE2-ND2 2.84Å; E317-K321 PolarHBondContact O-N 3.13Å
318	L	96.2	Very high	91.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-52.1	-46.1	-178.1	-177.4	67.5	0	0	0	113.3	L303 F306 L315 F316 N320 K321 V322 L338 I356 V360	L303-L318 HydrophobicContact CD2-CD1 4.39Å; L303-L318 HydrophobicContact CD2-CD2 3.92Å; F306-L318 HydrophobicContact CB-CD1 4.34Å; F306-L318 HydrophobicContact CD1-CD1 4.3Å; F306-L318 HydrophobicContact CD2-CD1 3.83Å; F306-L318 HydrophobicContact CE2-CB 4.35Å; F306-L318 HydrophobicContact CE2-CD1 4.18Å; F306-L318 HydrophobicContact CG-CD1 3.89Å; F306-L318 HydrophobicContact CZ-CB 4.21Å; L315-L318 WeakPolarHBondContact O-CB 3.48Å; L315-L318 PolarHBondContact O-N 3.39Å; F316-L318 VanDerWaalsContact C-N 3.32Å; L318-N320 PolarHBondContact O-N 3.4Å; L318-K321 PolarHBondContact O-N 3.5Å; L318-K321 VanDerWaalsContact O-N 3.08Å; L318-V322 HydrophobicContact CD1-CB 4.05Å; L318-V322 HydrophobicContact CD1-CG2 3.85Å; L318-V322 PolarHBondContact O-N 2.85Å; L318-L338 HydrophobicContact CD2-CD1 4.38Å; L318-I356 HydrophobicContact CB-CG2 4.27Å; L318-I356 HydrophobicContact CD2-CG2 3.98Å; L318-V360 HydrophobicContact CD2-CG2 4.2Å; L318-V360 HydrophobicContact CG-CG2 4.1Å
319	P	96.4	Very high	92.2	Very high	6 Å²	6	43 Å²	43	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-20	179	-15.6	30	0	0	0	114.3	K74 F316 E317 I356 R359 V360	K74-P319 WeakPolarHBondContact CE-O 3.39Å; K74-P319 PolarHBondContact NZ-O 3.19Å; F316-P319 VanDerWaalsContact O-CD 3.3Å; F316-P319 WeakPolarHBondContact O-CD 3.37Å; E317-P319 VanDerWaalsContact C-CD 3.46Å; P319-I356 HydrophobicContact CG-CB 4.43Å; P319-I356 HydrophobicContact CG-CG2 4.08Å; P319-R359 HydrophobicContact CB-CB 3.67Å; P319-R359 HydrophobicContact CG-CB 3.98Å; P319-V360 HydrophobicContact CB-CG2 4.01Å; P319-V360 HydrophobicContact CG-CG2 3.9Å
320	N	95	Very high	93	Very high	82 Å²	82	40.9 Å²	40.9	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-82.6	-22.4	175.9	-62.2	-27.4	0	0	0	111.6	K74 E317 L318	K74-N320 WeakPolarHBondContact CB-O 3.35Å; K74-N320 WeakPolarHBondContact CD-O 3.37Å; K74-N320 WeakPolarHBondContact CG-O 3.4Å; E317-N320 WeakPolarHBondContact O-CA 3.41Å; E317-N320 WeakPolarHBondContact O-CB 3.39Å; E317-N320 PolarHBondContact O-N 2.77Å; E317-N320 PolarHBondContact OE2-ND2 2.84Å; L318-N320 PolarHBondContact O-N 3.4Å
321	K	95.4	Very high	94	Very high	42 Å²	42	38.8 Å²	38.8	18%	0.183	20%	0.201	C	C	.	.	H	α-helix	trans	-110.8	-19.1	-174.7	-63	-65.9	176.7	170.5	0	114.4	D72 K74 M75 F306 Y313 E317 L318	D72-K321 PolarHBondContact O-NZ 2.99Å; D72-K321 VanDerWaalsContact OD2-CE 3.24Å; D72-K321 WeakPolarHBondContact OD2-CE 3.27Å; D72-K321 IonicContact OD2-NZ 3.87Å; D72-K321 PolarHBondContact OD2-NZ 3.26Å; K74-K321 CarbonylContact C-O 3.31Å; K74-K321 VanDerWaalsContact CA-O 3.32Å; K74-K321 WeakPolarHBondContact CA-O 3.37Å; M75-K321 PolarHBondContact N-O 3.01Å; F306-K321 HydrophobicContact CD2-CB 4.07Å; F306-K321 HydrophobicContact CE2-CB 3.82Å; F306-K321 HydrophobicContact CE2-CG 4Å; Y313-K321 HydrophobicContact CD2-CG 4.36Å; Y313-K321 HydrophobicContact CE2-CD 4Å; Y313-K321 HydrophobicContact CE2-CG 3.94Å; Y313-K321 VanDerWaalsContact OH-CE 3.29Å; Y313-K321 WeakPolarHBondContact OH-CE 3.33Å; Y313-K321 PolarHBondContact OH-NZ 3.38Å; E317-K321 PolarHBondContact O-N 3.13Å; L318-K321 PolarHBondContact O-N 3.5Å; L318-K321 VanDerWaalsContact O-N 3.08Å
322	V	96.9	Very high	95	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.6	180	-176.9	0	0	0	0	110.3	M75 I302 L318 I324	M75-V322 WeakPolarHBondContact O-CA 3.27Å; I302-V322 HydrophobicContact CG2-CG1 3.91Å; I302-V322 HydrophobicContact CG2-CG2 4.13Å; L318-V322 HydrophobicContact CD1-CB 4.05Å; L318-V322 HydrophobicContact CD1-CG2 3.85Å; L318-V322 PolarHBondContact O-N 2.85Å; V322-I324 HydrophobicContact CG1-CG1 3.92Å
323	V	98.3	Very high	95.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.3	161.8	59.8	0	0	0	0	109.2	M75 V76 C77 T362 W815 V817	M75-V323 PolarHBondContact O-N 3.04Å; V76-V323 HydrophobicContact CB-CG1 4.26Å; V76-V323 HydrophobicContact CG1-CG1 4.39Å; V76-V323 HydrophobicContact CG2-CG1 3.92Å; C77-V323 PolarHBondContact N-O 3.05Å; V323-T362 HydrophobicContact CG2-CG2 4.02Å; V323-W815 HydrophobicContact CG1-CB 3.89Å; V323-W815 HydrophobicContact CG1-CG 3.99Å; V323-W815 HydrophobicContact CG2-CG 4.43Å; V323-V817 HydrophobicContact CG1-CG2 4.3Å
324	I	98.7	Very high	96.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.1	178.4	-56.6	178.1	0	0	0	108.1	C77 L79 L299 I302 V322 V360 F361 T362	C77-I324 HydrophobicContact CB-CG1 4.26Å; C77-I324 WeakPolarHBondContact O-CA 3.28Å; L79-I324 HydrophobicContact CD1-CG2 3.64Å; L79-I324 HydrophobicContact CD2-CG2 3.86Å; L79-I324 HydrophobicContact CG-CG2 4.33Å; L299-I324 HydrophobicContact CD2-CD1 3.44Å; L299-I324 VanDerWaalsContact CD2-CD1 3.44Å; I302-I324 HydrophobicContact CD1-CD1 3.89Å; I302-I324 HydrophobicContact CD1-CG1 4.13Å; V322-I324 HydrophobicContact CG1-CG1 3.92Å; I324-V360 HydrophobicContact CB-CG1 3.98Å; I324-V360 HydrophobicContact CD1-CG1 3.62Å; I324-V360 HydrophobicContact CG1-CG1 3.55Å; I324-V360 PolarHBondContact N-O 3.36Å; I324-F361 HydrophobicContact CB-CD1 3.69Å; I324-F361 HydrophobicContact CB-CE1 3.71Å; I324-F361 HydrophobicContact CD1-CE1 3.9Å; I324-F361 HydrophobicContact CD1-CZ 4.22Å; I324-F361 HydrophobicContact CG1-CE1 4.39Å; I324-F361 HydrophobicContact CG2-CD1 3.81Å; I324-F361 HydrophobicContact CG2-CE1 3.58Å; I324-F361 WeakPolarHBondContact O-CA 3.42Å; I324-T362 PolarHBondContact O-N 3.47Å
325	H	98.6	Very high	96.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.1	180	-164	74.8	0	0	0	110.4	C77 F78 L79 T362 T364 Y810 W815	C77-H325 PolarHBondContact O-N 3.42Å; F78-H325 HydrophobicContact CD2-CB 4.07Å; F78-H325 AromaticContact CD2-CD2 3.67Å; F78-H325 AromaticContact CE2-CD2 3.29Å; F78-H325 WeakPolarHBondContact CE2-CD2 3.26Å; L79-H325 PolarHBondContact N-O 3.35Å; H325-T362 PolarHBondContact ND1-OG1 3.17Å; H325-T364 PolarHBondContact CE1-OG1 3.26Å; H325-T364 PolarHBondContact NE2-OG1 3.24Å; H325-Y810 AromaticContact CE1-CE1 3.57Å; H325-Y810 AromaticContact NE2-CE1 3.85Å; H325-W815 HydrophobicContact CB-CZ2 4.34Å; H325-W815 AromaticContact CG-CZ2 3.97Å; H325-W815 AromaticContact CG-NE1 3.65Å; H325-W815 AromaticContact ND1-CE2 3.96Å; H325-W815 AromaticContact ND1-NE1 3.2Å; H325-W815 PolarHBondContact ND1-NE1 2.97Å
326	I	98.5	Very high	97.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	105.8	179.5	-53.4	-178.3	0	0	0	108.2	D328 P331 I335 F361 T362 H363 T364	I326-D328 WeakPolarHBondContact CG2-O 3.38Å; I326-D328 PolarHBondContact O-N 2.9Å; I326-P331 HydrophobicContact CB-CG 4.46Å; I326-P331 HydrophobicContact CG2-CB 3.88Å; I326-P331 HydrophobicContact CG2-CG 3.56Å; I326-I335 HydrophobicContact CD1-CD1 3.97Å; I326-I335 HydrophobicContact CD1-CG1 4.13Å; I326-F361 HydrophobicContact CD1-CB 4.32Å; I326-F361 HydrophobicContact CD1-CD1 3.75Å; I326-F361 HydrophobicContact CD1-CE1 4.4Å; I326-F361 HydrophobicContact CD1-CG 4.22Å; I326-F361 HydrophobicContact CG1-CD1 3.93Å; I326-T362 PolarHBondContact N-O 3.09Å; I326-H363 HydrophobicContact CB-CB 4.47Å; I326-T364 PolarHBondContact O-N 3.21Å
327	N	97.6	Very high	97.3	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	106.6	176.2	-169.7	35.9	0	0	0	110.3	F78 L79 S80 L130 H366	F78-N327 HydrophobicContact CE1-CB 3.65Å; F78-N327 HydrophobicContact CZ-CB 3.74Å; L79-N327 VanDerWaalsContact O-CB 3.23Å; L79-N327 WeakPolarHBondContact O-CB 3.5Å; L79-N327 PolarHBondContact O-N 3.35Å; S80-N327 PolarHBondContact OG-ND2 3Å; S80-N327 VanDerWaalsContact OG-ND2 3.15Å; L130-N327 VanDerWaalsContact CD1-ND2 3.32Å; L130-N327 WeakPolarHBondContact CD1-ND2 3.23Å; L130-N327 WeakPolarHBondContact CD1-OD1 3.45Å; N327-H366 PolarHBondContact OD1-NE2 3.26Å
328	D	95.3	Very high	97.4	Very high	18 Å²	18	9 Å²	9	10%	0.096	5%	0.046	C	C	.	.	S	Bend	trans	64.3	-166.5	-168.8	-149.8	-19.4	0	0	0	112.5	L130 I326 H330 H363 T364	L130-D328 HydrophobicContact CD1-CB 4.18Å; L130-D328 HydrophobicContact CD2-CB 4.16Å; I326-D328 WeakPolarHBondContact CG2-O 3.38Å; I326-D328 PolarHBondContact O-N 2.9Å; D328-H330 IonicContact OD2-CE1 2.9Å; D328-H363 PolarHBondContact O-CE1 3.11Å; D328-H363 PolarHBondContact O-ND1 3.23Å; D328-T364 VanDerWaalsContact CA-O 3.25Å; D328-T364 WeakPolarHBondContact CA-O 3.46Å; D328-T364 PolarHBondContact N-O 3Å
329	T	96.7	Very high	97.5	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.031	5%	0.046	C	C	.	.	S	Bend	trans	-89.8	-7.9	-177.5	54.1	0	0	0	0	114.7	A332 K374 M430 D431	T329-A332 WeakPolarHBondContact O-CB 3.33Å; T329-A332 PolarHBondContact O-N 3.44Å; T329-K374 WeakPolarHBondContact OG1-CB 3.24Å; T329-K374 WeakPolarHBondContact OG1-CD 3.34Å; T329-M430 HydrophobicContact CG2-CB 4.39Å; T329-D431 HydrophobicContact CG2-CB 4.23Å; T329-D431 VanDerWaalsContact CG2-CG 3.46Å; T329-D431 WeakPolarHBondContact CG2-OD1 3.49Å
330	H	94.4	Very high	97.6	Very high	18 Å²	18	9.3 Å²	9.3	8%	0.083	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-55.5	-43.5	-179.1	-44.5	93.9	0	0	0	114.1	M81 Y275 E291 D328 A332	M81-H330 HydrophobicContact CB-CB 4.16Å; M81-H330 HydrophobicContact CG-CB 3.3Å; Y275-H330 AromaticContact CE1-CD2 3.99Å; Y275-H330 AromaticContact CE1-NE2 3.66Å; Y275-H330 AromaticContact CZ-NE2 3.76Å; Y275-H330 PolarHBondContact OH-CE1 2.92Å; Y275-H330 VanDerWaalsContact OH-CE1 3.28Å; Y275-H330 PolarHBondContact OH-NE2 3.41Å; E291-H330 WeakPolarHBondContact CB-O 3.4Å; E291-H330 HydrophobicContact CG-CB 4.16Å; E291-H330 VanDerWaalsContact CG-O 3.31Å; E291-H330 WeakPolarHBondContact CG-O 3.5Å; E291-H330 IonicContact OE1-CD2 3.68Å; D328-H330 IonicContact OD2-CE1 2.9Å; H330-A332 VanDerWaalsContact C-N 3.26Å; H330-A332 PolarHBondContact O-N 3.35Å
331	P	97.6	Very high	97.8	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.006	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-84.8	13.8	177	8.3	9.1	0	0	0	114	L79 V295 I326 L333 A334	L79-P331 HydrophobicContact CB-CB 3.86Å; L79-P331 HydrophobicContact CB-CG 4Å; L79-P331 HydrophobicContact CD2-CB 4.15Å; V295-P331 HydrophobicContact CG1-CB 3.93Å; V295-P331 WeakPolarHBondContact CG1-O 3.39Å; I326-P331 HydrophobicContact CB-CG 4.46Å; I326-P331 HydrophobicContact CG2-CB 3.88Å; I326-P331 HydrophobicContact CG2-CG 3.56Å; P331-L333 PolarHBondContact O-N 3.08Å; P331-L333 VanDerWaalsContact O-N 3.13Å; P331-A334 WeakPolarHBondContact O-CB 3.47Å; P331-A334 PolarHBondContact O-N 3.4Å
332	A	98.3	Very high	97.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	G	3₁₀ helix	trans	-58.5	-29.2	-174.8	0	0	0	0	0	113.6	T329 H330 A334 I335 M430 C434	T329-A332 WeakPolarHBondContact O-CB 3.33Å; T329-A332 PolarHBondContact O-N 3.44Å; H330-A332 VanDerWaalsContact C-N 3.26Å; H330-A332 PolarHBondContact O-N 3.35Å; A332-A334 PolarHBondContact O-N 3.1Å; A332-A334 VanDerWaalsContact O-N 3.09Å; A332-I335 PolarHBondContact O-N 3.41Å; A332-I335 VanDerWaalsContact O-N 3.15Å; A332-M430 HydrophobicContact CB-CB 4.07Å; A332-M430 HydrophobicContact CB-CE 3.54Å; A332-C434 WeakPolarHBondContact CB-SG 3.45Å
333	L	98.7	Very high	97.9	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-64	-10.2	175.3	-69.8	172	0	0	0	113.8	L288 Y292 V295 P331 I335 P336 E337 L381 L385 M430	L288-L333 HydrophobicContact CD1-CD1 3.65Å; Y292-L333 HydrophobicContact CD2-CB 4.48Å; Y292-L333 HydrophobicContact CD2-CD1 4.44Å; V295-L333 HydrophobicContact CG2-CB 3.95Å; P331-L333 PolarHBondContact O-N 3.08Å; P331-L333 VanDerWaalsContact O-N 3.13Å; L333-I335 PolarHBondContact O-N 3.31Å; L333-P336 HydrophobicContact CD2-CG 4.16Å; L333-P336 VanDerWaalsContact O-CD 3.3Å; L333-P336 WeakPolarHBondContact O-CD 3.42Å; L333-P336 WeakPolarHBondContact O-CG 3.29Å; L333-E337 VanDerWaalsContact O-CB 3.27Å; L333-E337 WeakPolarHBondContact O-CB 3.34Å; L333-E337 PolarHBondContact O-N 3.46Å; L333-L381 HydrophobicContact CD2-CD1 4.24Å; L333-L385 HydrophobicContact CD1-CD1 3.8Å; L333-L385 HydrophobicContact CD2-CD1 4.26Å; L333-M430 HydrophobicContact CD2-CE 3.87Å; L333-M430 HydrophobicContact CG-CE 3.93Å
334	A	98.7	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.3	-32.8	170.9	0	0	0	0	0	112.1	L79 V295 L299 P331 A332 E337 L338 F361	L79-A334 HydrophobicContact CD2-CB 4.33Å; V295-A334 HydrophobicContact CB-CB 3.91Å; V295-A334 HydrophobicContact CG1-CB 3.86Å; L299-A334 HydrophobicContact CD1-CB 4.06Å; L299-A334 WeakPolarHBondContact CD1-O 3.35Å; P331-A334 WeakPolarHBondContact O-CB 3.47Å; P331-A334 PolarHBondContact O-N 3.4Å; A332-A334 PolarHBondContact O-N 3.1Å; A332-A334 VanDerWaalsContact O-N 3.09Å; A334-E337 PolarHBondContact O-N 2.96Å; A334-L338 WeakPolarHBondContact O-CB 3.29Å; A334-L338 PolarHBondContact O-N 3.02Å; A334-F361 HydrophobicContact CB-CE1 3.56Å; A334-F361 HydrophobicContact CB-CZ 3.79Å; A334-F361 VanDerWaalsContact O-CZ 3.31Å; A334-F361 WeakPolarHBondContact O-CZ 3.35Å
335	I	98.8	Very high	97.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.6	-60.5	178.7	-66.4	159.6	0	0	0	110.8	I326 A332 L333 E337 L338 M339 W354 F361 I395 L433	I326-I335 HydrophobicContact CD1-CD1 3.97Å; I326-I335 HydrophobicContact CD1-CG1 4.13Å; A332-I335 PolarHBondContact O-N 3.41Å; A332-I335 VanDerWaalsContact O-N 3.15Å; L333-I335 PolarHBondContact O-N 3.31Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 2.94Å; I335-L338 PolarHBondContact O-N 3.22Å; I335-M339 PolarHBondContact O-N 2.98Å; I335-W354 HydrophobicContact CG2-CZ3 4.12Å; I335-F361 HydrophobicContact CB-CE2 4.4Å; I335-F361 HydrophobicContact CG1-CD1 4.5Å; I335-F361 HydrophobicContact CG1-CD2 3.73Å; I335-F361 HydrophobicContact CG1-CE2 3.99Å; I335-F361 HydrophobicContact CG1-CG 4.02Å; I335-F361 HydrophobicContact CG1-CZ 4.48Å; I335-I395 HydrophobicContact CG2-CD1 4.28Å; I335-L433 HydrophobicContact CD1-CG 4.33Å; I335-L433 HydrophobicContact CG2-CD1 4.16Å
336	P	98.7	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.8	-27.5	178.3	26.2	-35.5	0	0	0	113.2	L333 R340 H388 I391 I392 L433	L333-P336 HydrophobicContact CD2-CG 4.16Å; L333-P336 VanDerWaalsContact O-CD 3.3Å; L333-P336 WeakPolarHBondContact O-CD 3.42Å; L333-P336 WeakPolarHBondContact O-CG 3.29Å; P336-R340 WeakPolarHBondContact O-CB 3.44Å; P336-R340 PolarHBondContact O-N 3.39Å; P336-H388 HydrophobicContact CB-CB 4.27Å; P336-I391 HydrophobicContact CB-CB 4.39Å; P336-I391 HydrophobicContact CB-CG2 3.85Å; P336-I392 HydrophobicContact CB-CD1 4.44Å; P336-I392 HydrophobicContact CB-CG1 3.96Å; P336-I392 HydrophobicContact CG-CD1 4.21Å; P336-I392 HydrophobicContact CG-CG1 4.13Å; P336-L433 HydrophobicContact CG-CD2 4.31Å
337	E	98.8	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.6	-41	175.8	176	62.5	171.5	0	0	112.5	Y292 S296 L299 L333 A334 I335 M339 R340 I341 H388	Y292-E337 HydrophobicContact CE2-CB 4.28Å; Y292-E337 HydrophobicContact CE2-CG 4.33Å; Y292-E337 VanDerWaalsContact OH-CD 3.29Å; Y292-E337 PolarHBondContact OH-OE1 2.95Å; Y292-E337 PolarHBondContact OH-OE2 3.17Å; S296-E337 WeakPolarHBondContact CB-OE1 3.38Å; S296-E337 PolarHBondContact OG-OE1 3.39Å; L299-E337 HydrophobicContact CD1-CB 3.73Å; L299-E337 HydrophobicContact CD1-CG 3.54Å; L333-E337 VanDerWaalsContact O-CB 3.27Å; L333-E337 WeakPolarHBondContact O-CB 3.34Å; L333-E337 PolarHBondContact O-N 3.46Å; A334-E337 PolarHBondContact O-N 2.96Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 2.94Å; E337-M339 VanDerWaalsContact C-N 3.34Å; E337-R340 WeakPolarHBondContact O-CB 3.33Å; E337-R340 PolarHBondContact O-N 3.44Å; E337-R340 IonicContact OE1-CZ 3.17Å; E337-R340 IonicContact OE1-NE 3.49Å; E337-R340 IonicContact OE1-NH2 3.52Å; E337-R340 PolarHBondContact OE1-NH2 3.46Å; E337-R340 IonicContact OE2-CZ 2.71Å; E337-R340 IonicContact OE2-NE 2.78Å; E337-R340 PolarHBondContact OE2-NE 3.28Å; E337-R340 IonicContact OE2-NH2 3.78Å; E337-R340 PolarHBondContact OE2-NH2 3.3Å; E337-I341 HydrophobicContact CG-CD1 4.18Å; E337-I341 WeakPolarHBondContact O-CG1 3.27Å; E337-I341 PolarHBondContact O-N 2.97Å; E337-H388 IonicContact OE2-CD2 3.73Å; E337-H388 IonicContact OE2-CE1 3.77Å; E337-H388 IonicContact OE2-NE2 3.73Å; E337-H388 PolarHBondContact OE2-NE2 2.68Å
338	L	98.7	Very high	97.1	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-62.8	-44.4	174.3	-179.3	59.2	0	0	0	110.4	L299 L303 L318 A334 I335 R340 I341 L342 C357 V360 F361	L299-L338 HydrophobicContact CD1-CB 4.18Å; L299-L338 HydrophobicContact CD2-CB 4.36Å; L299-L338 HydrophobicContact CD2-CD1 4.45Å; L303-L338 HydrophobicContact CD1-CD1 4.29Å; L303-L338 HydrophobicContact CD2-CD1 4.48Å; L318-L338 HydrophobicContact CD2-CD1 4.38Å; A334-L338 WeakPolarHBondContact O-CB 3.29Å; A334-L338 PolarHBondContact O-N 3.02Å; I335-L338 PolarHBondContact O-N 3.22Å; L338-R340 VanDerWaalsContact C-N 3.3Å; L338-R340 PolarHBondContact O-N 2.77Å; L338-I341 PolarHBondContact O-N 2.98Å; L338-L342 HydrophobicContact CD1-CD1 4.08Å; L338-L342 HydrophobicContact CD1-CD2 4.43Å; L338-L342 HydrophobicContact CD1-CG 4.04Å; L338-L342 HydrophobicContact CG-CD1 3.94Å; L338-L342 HydrophobicContact CG-CG 4.32Å; L338-L342 VanDerWaalsContact O-CG 3.31Å; L338-L342 WeakPolarHBondContact O-CG 3.21Å; L338-L342 PolarHBondContact O-N 3.43Å; L338-C357 HydrophobicContact CD2-CB 4.44Å; L338-V360 HydrophobicContact CD2-CB 4.42Å; L338-V360 HydrophobicContact CD2-CG1 4.39Å; L338-F361 HydrophobicContact CB-CE2 4Å; L338-F361 HydrophobicContact CB-CZ 4.02Å; L338-F361 HydrophobicContact CD2-CE2 3.58Å; L338-F361 HydrophobicContact CD2-CZ 3.91Å; L338-F361 HydrophobicContact CG-CE2 4.43Å
339	M	98.4	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.9	-43.5	173.4	-74.8	-59.7	-67.4	0	0	112.1	I335 E337 I341 L342 V343 W350 A353 W354 C357 I391	I335-M339 PolarHBondContact O-N 2.98Å; E337-M339 VanDerWaalsContact C-N 3.34Å; M339-I341 PolarHBondContact O-N 2.83Å; M339-L342 PolarHBondContact O-N 3.45Å; M339-V343 HydrophobicContact CE-CG2 4.21Å; M339-V343 WeakPolarHBondContact O-CB 3.4Å; M339-V343 WeakPolarHBondContact O-CG2 3.37Å; M339-V343 PolarHBondContact O-N 2.89Å; M339-W350 HydrophobicContact CE-CD2 3.86Å; M339-W350 HydrophobicContact CE-CE3 3.83Å; M339-W350 HydrophobicContact CE-CH2 3.9Å; M339-W350 HydrophobicContact CE-CZ2 3.93Å; M339-W350 HydrophobicContact CE-CZ3 3.85Å; M339-A353 HydrophobicContact CE-CB 3.92Å; M339-A353 VanDerWaalsContact SD-C 3.53Å; M339-A353 HydrophobicContact SD-CB 3.99Å; M339-W354 HydrophobicContact CE-CB 3.99Å; M339-W354 HydrophobicContact CE-CE3 4.29Å; M339-W354 HydrophobicContact CG-CE3 4.15Å; M339-W354 HydrophobicContact CG-CZ3 4.49Å; M339-W354 VanDerWaalsContact SD-CA 3.6Å; M339-W354 HydrophobicContact SD-CB 4.2Å; M339-W354 HydrophobicContact SD-CE3 3.85Å; M339-C357 HydrophobicContact CG-CB 4.23Å; M339-C357 HydrophobicContact SD-CB 3.71Å; M339-I391 HydrophobicContact CB-CG2 3.65Å; M339-I391 HydrophobicContact CG-CG2 4.28Å
340	R	98.3	Very high	97	Very high	15 Å²	15	24.1 Å²	24.1	6%	0.057	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-46.2	177.6	-167.3	-168.6	62.3	72.2	2	111.4	P336 E337 L338 D344 R387 I391	P336-R340 WeakPolarHBondContact O-CB 3.44Å; P336-R340 PolarHBondContact O-N 3.39Å; E337-R340 WeakPolarHBondContact O-CB 3.33Å; E337-R340 PolarHBondContact O-N 3.44Å; E337-R340 IonicContact OE1-CZ 3.17Å; E337-R340 IonicContact OE1-NE 3.49Å; E337-R340 IonicContact OE1-NH2 3.52Å; E337-R340 PolarHBondContact OE1-NH2 3.46Å; E337-R340 IonicContact OE2-CZ 2.71Å; E337-R340 IonicContact OE2-NE 2.78Å; E337-R340 PolarHBondContact OE2-NE 3.28Å; E337-R340 IonicContact OE2-NH2 3.78Å; E337-R340 PolarHBondContact OE2-NH2 3.3Å; L338-R340 VanDerWaalsContact C-N 3.3Å; L338-R340 PolarHBondContact O-N 2.77Å; R340-D344 HydrophobicContact CG-CB 4.46Å; R340-D344 VanDerWaalsContact CG-OD2 3.24Å; R340-D344 WeakPolarHBondContact CG-OD2 3.37Å; R340-D344 WeakPolarHBondContact O-CA 3.29Å; R340-D344 WeakPolarHBondContact O-CB 3.35Å; R340-D344 PolarHBondContact O-N 2.62Å; R340-R387 HydrophobicContact CG-CG 3.86Å; R340-I391 VanDerWaalsContact CA-CD1 3.49Å; R340-I391 HydrophobicContact CB-CD1 3.46Å; R340-I391 VanDerWaalsContact CB-CD1 3.46Å; R340-I391 HydrophobicContact CG-CD1 3.91Å
341	I	97.9	Very high	97.1	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.036	15%	0.151	C	C	.	.	I	π-helix	trans	-65.2	-48.7	-179.6	-63	165.4	0	0	0	110.1	L299 L303 E337 L338 M339 V343 I345 E346	L299-I341 HydrophobicContact CB-CD1 4.12Å; L303-I341 HydrophobicContact CD1-CB 4.17Å; L303-I341 HydrophobicContact CD1-CD1 3.94Å; L303-I341 HydrophobicContact CD1-CG2 3.49Å; L303-I341 VanDerWaalsContact CD1-CG2 3.49Å; E337-I341 HydrophobicContact CG-CD1 4.18Å; E337-I341 WeakPolarHBondContact O-CG1 3.27Å; E337-I341 PolarHBondContact O-N 2.97Å; L338-I341 PolarHBondContact O-N 2.98Å; M339-I341 PolarHBondContact O-N 2.83Å; I341-V343 PolarHBondContact O-N 3.34Å; I341-I345 HydrophobicContact CG1-CD1 4.3Å; I341-I345 HydrophobicContact CG2-CB 4.42Å; I341-I345 HydrophobicContact CG2-CD1 4.3Å; I341-I345 WeakPolarHBondContact O-CA 3.39Å; I341-I345 VanDerWaalsContact O-CB 3.3Å; I341-I345 WeakPolarHBondContact O-CB 3.38Å; I341-I345 PolarHBondContact O-N 2.74Å; I341-E346 HydrophobicContact CG2-CG 4.37Å; I341-E346 PolarHBondContact O-N 3.46Å
342	L	97.5	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-62.6	-43	-178.8	-64.2	176.4	0	0	0	112.4	L315 L338 M339 E346 C347 M348 A353 I356	L315-L342 HydrophobicContact CD1-CD2 4.15Å; L315-L342 HydrophobicContact CD2-CD2 4.39Å; L338-L342 HydrophobicContact CD1-CD1 4.08Å; L338-L342 HydrophobicContact CD1-CD2 4.43Å; L338-L342 HydrophobicContact CD1-CG 4.04Å; L338-L342 HydrophobicContact CG-CD1 3.94Å; L338-L342 HydrophobicContact CG-CG 4.32Å; L338-L342 VanDerWaalsContact O-CG 3.31Å; L338-L342 WeakPolarHBondContact O-CG 3.21Å; L338-L342 PolarHBondContact O-N 3.43Å; M339-L342 PolarHBondContact O-N 3.45Å; L342-E346 HydrophobicContact CD2-CG 4.5Å; L342-E346 CarbonylContact O-C 3.44Å; L342-E346 WeakPolarHBondContact O-CB 3.36Å; L342-C347 PolarHBondContact O-N 3.19Å; L342-M348 HydrophobicContact CB-SD 4.19Å; L342-M348 HydrophobicContact CD2-SD 3.87Å; L342-M348 HydrophobicContact CG-SD 4.47Å; L342-M348 WeakPolarHBondContact O-CB 3.46Å; L342-M348 PolarHBondContact O-N 3.46Å; L342-A353 HydrophobicContact CB-CB 3.74Å; L342-A353 HydrophobicContact CD1-CB 4.11Å; L342-I356 HydrophobicContact CD1-CB 4.18Å; L342-I356 HydrophobicContact CD1-CG2 3.96Å
343	V	96.9	Very high	97	Very high	30 Å²	30	32 Å²	32	18%	0.182	17%	0.168	C	C	.	.	I	π-helix	trans	-82	-51.5	-177	176.6	0	0	0	0	111.9	M339 I341 C347 W350 A353	M339-V343 HydrophobicContact CE-CG2 4.21Å; M339-V343 WeakPolarHBondContact O-CB 3.4Å; M339-V343 WeakPolarHBondContact O-CG2 3.37Å; M339-V343 PolarHBondContact O-N 2.89Å; I341-V343 PolarHBondContact O-N 3.34Å; V343-C347 VanDerWaalsContact O-CA 3.3Å; V343-C347 WeakPolarHBondContact O-CA 3.42Å; V343-C347 PolarHBondContact O-N 2.98Å; V343-W350 HydrophobicContact CG2-CE3 4.13Å; V343-A353 HydrophobicContact CG2-CB 3.74Å
344	D	96.9	Very high	97	Very high	29 Å²	29	33.6 Å²	33.6	16%	0.155	17%	0.174	C	C	.	.	I	π-helix	trans	-84.3	-29.9	-169.7	-58.7	-12.7	0	0	0	112.8	R340 R387	R340-D344 HydrophobicContact CG-CB 4.46Å; R340-D344 VanDerWaalsContact CG-OD2 3.24Å; R340-D344 WeakPolarHBondContact CG-OD2 3.37Å; R340-D344 WeakPolarHBondContact O-CA 3.29Å; R340-D344 WeakPolarHBondContact O-CB 3.35Å; R340-D344 PolarHBondContact O-N 2.62Å; D344-R387 IonicContact OD1-CZ 2.89Å; D344-R387 IonicContact OD1-NE 3.27Å; D344-R387 PolarHBondContact OD1-NE 3.15Å; D344-R387 IonicContact OD1-NH2 2.8Å; D344-R387 PolarHBondContact OD1-NH2 3.02Å; D344-R387 WeakPolarHBondContact OD2-CG 3.42Å; D344-R387 IonicContact OD2-CZ 3.04Å; D344-R387 IonicContact OD2-NE 3.48Å; D344-R387 PolarHBondContact OD2-NE 2.72Å; D344-R387 IonicContact OD2-NH2 3.78Å
345	I	95.1	Very high	96.9	Very high	97 Å²	97	36.8 Å²	36.8	50%	0.497	19%	0.191	S	C	.	.	I	π-helix	trans	-102.7	-50.8	-176.6	-60.7	172	0	0	0	110.7	I341 C347	I341-I345 HydrophobicContact CG1-CD1 4.3Å; I341-I345 HydrophobicContact CG2-CB 4.42Å; I341-I345 HydrophobicContact CG2-CD1 4.3Å; I341-I345 WeakPolarHBondContact O-CA 3.39Å; I341-I345 VanDerWaalsContact O-CB 3.3Å; I341-I345 WeakPolarHBondContact O-CB 3.38Å; I341-I345 PolarHBondContact O-N 2.74Å; I345-C347 VanDerWaalsContact C-N 3.27Å; I345-C347 PolarHBondContact O-N 3Å
346	E	94.4	Very high	96.8	Very high	60 Å²	60	36.8 Å²	36.8	28%	0.28	19%	0.191	S	C	.	.	S	Bend	trans	-82.4	-5.8	-179.5	-50.3	-61.3	156.4	0	0	113.1	K307 L315 I341 L342 M348	K307-E346 IonicContact NZ-OE1 3.07Å; K307-E346 PolarHBondContact NZ-OE1 2.79Å; K307-E346 IonicContact NZ-OE2 2.67Å; K307-E346 PolarHBondContact NZ-OE2 3.31Å; L315-E346 HydrophobicContact CD1-CB 3.6Å; L315-E346 HydrophobicContact CD1-CG 3.64Å; I341-E346 HydrophobicContact CG2-CG 4.37Å; I341-E346 PolarHBondContact O-N 3.46Å; L342-E346 HydrophobicContact CD2-CG 4.5Å; L342-E346 CarbonylContact O-C 3.44Å; L342-E346 WeakPolarHBondContact O-CB 3.36Å; E346-M348 HydrophobicContact CB-CG 4.17Å; E346-M348 PolarHBondContact O-N 3.28Å
347	C	93.8	Very high	96.7	Very high	80 Å²	80	36.8 Å²	36.8	54%	0.541	19%	0.191	S	C	.	.			trans	57.8	32.7	177.2	-57.6	0	0	0	0	113.8	L342 V343 I345	L342-C347 PolarHBondContact O-N 3.19Å; V343-C347 VanDerWaalsContact O-CA 3.3Å; V343-C347 WeakPolarHBondContact O-CA 3.42Å; V343-C347 PolarHBondContact O-N 2.98Å; I345-C347 VanDerWaalsContact C-N 3.27Å; I345-C347 PolarHBondContact O-N 3Å
348	M	94.7	Very high	96.5	Very high	27 Å²	27	38.2 Å²	38.2	13%	0.133	20%	0.201	C	C	.	.			trans	-76	150.9	175.8	-63.5	-168.8	67	0	0	112	L315 F316 L342 E346 D352 A353 I356	L315-M348 HydrophobicContact CB-SD 3.9Å; L315-M348 HydrophobicContact CD1-CG 4.32Å; L315-M348 HydrophobicContact CD1-SD 3.67Å; L315-M348 HydrophobicContact CG-SD 4.45Å; F316-M348 HydrophobicContact CD1-CE 4.46Å; F316-M348 HydrophobicContact CE1-CE 3.92Å; F316-M348 HydrophobicContact CE2-CE 3.99Å; F316-M348 HydrophobicContact CZ-CE 3.65Å; L342-M348 HydrophobicContact CB-SD 4.19Å; L342-M348 HydrophobicContact CD2-SD 3.87Å; L342-M348 HydrophobicContact CG-SD 4.47Å; L342-M348 WeakPolarHBondContact O-CB 3.46Å; L342-M348 PolarHBondContact O-N 3.46Å; E346-M348 HydrophobicContact CB-CG 4.17Å; E346-M348 PolarHBondContact O-N 3.28Å; M348-D352 HydrophobicContact CE-CB 4.07Å; M348-A353 HydrophobicContact CB-CB 4.3Å; M348-I356 HydrophobicContact CE-CD1 3.46Å; M348-I356 VanDerWaalsContact CE-CD1 3.46Å; M348-I356 HydrophobicContact SD-CD1 3.97Å
349	D	94.8	Very high	96.4	Very high	90 Å²	90	42.2 Å²	42.2	48%	0.481	22%	0.216	S	C	.	.			trans	-60	147	167.5	-178	-95.5	0	0	0	110.7	I351 D352 A353	D349-I351 VanDerWaalsContact C-N 3.33Å; D349-I351 PolarHBondContact O-N 3.32Å; D349-I351 WeakPolarHBondContact OD1-CB 3.47Å; D349-I351 PolarHBondContact OD1-N 3.43Å; D349-D352 HydrophobicContact CB-CB 4.35Å; D349-D352 PolarHBondContact O-N 3.1Å; D349-A353 WeakPolarHBondContact O-CB 3.48Å; D349-A353 PolarHBondContact O-N 3.41Å
350	W	95.6	Very high	96.4	Very high	51 Å²	51	42.2 Å²	42.2	19%	0.193	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-42.4	-177.5	177	-86.6	0	0	0	112.9	M339 V343 W354 I391 N394 I395	M339-W350 HydrophobicContact CE-CD2 3.86Å; M339-W350 HydrophobicContact CE-CE3 3.83Å; M339-W350 HydrophobicContact CE-CH2 3.9Å; M339-W350 HydrophobicContact CE-CZ2 3.93Å; M339-W350 HydrophobicContact CE-CZ3 3.85Å; V343-W350 HydrophobicContact CG2-CE3 4.13Å; W350-W354 VanDerWaalsContact O-CB 3.3Å; W350-W354 WeakPolarHBondContact O-CB 3.49Å; W350-W354 PolarHBondContact O-N 3.45Å; W350-I391 HydrophobicContact CH2-CB 4.33Å; W350-I391 HydrophobicContact CH2-CG2 3.86Å; W350-I391 HydrophobicContact CZ3-CG1 4.3Å; W350-I391 HydrophobicContact CZ3-CG2 4.29Å; W350-N394 HydrophobicContact CH2-CB 3.34Å; W350-N394 HydrophobicContact CZ2-CB 3.37Å; W350-N394 HydrophobicContact CZ3-CB 4.05Å; W350-I395 HydrophobicContact CH2-CG1 4.25Å; W350-I395 HydrophobicContact CZ2-CG1 3.97Å
351	I	95.8	Very high	96.4	Very high	116 Å²	116	41.5 Å²	41.5	60%	0.595	21%	0.213	S	C	*	.	H	α-helix	trans	-68.5	-43.2	-176.5	-62.6	174.7	0	0	0	109.7	D349 W354 D355	D349-I351 VanDerWaalsContact C-N 3.33Å; D349-I351 PolarHBondContact O-N 3.32Å; D349-I351 WeakPolarHBondContact OD1-CB 3.47Å; D349-I351 PolarHBondContact OD1-N 3.43Å; I351-W354 PolarHBondContact O-N 3.09Å; I351-D355 PolarHBondContact O-N 3.43Å
352	D	97	Very high	96.4	Very high	68 Å²	68	41.1 Å²	41.1	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-64.7	-44.1	177.7	-70.2	-18.9	0	0	0	111.8	F316 M348 D349 W354 D355 I356	F316-D352 HydrophobicContact CE1-CB 3.71Å; F316-D352 HydrophobicContact CZ-CB 3.8Å; M348-D352 HydrophobicContact CE-CB 4.07Å; D349-D352 HydrophobicContact CB-CB 4.35Å; D349-D352 PolarHBondContact O-N 3.1Å; D352-W354 VanDerWaalsContact C-N 3.33Å; D352-W354 PolarHBondContact O-N 2.94Å; D352-D355 PolarHBondContact O-N 3.45Å; D352-I356 PolarHBondContact O-N 2.97Å; D352-I356 VanDerWaalsContact O-N 3.14Å
353	A	97.7	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-40.7	175	0	0	0	0	0	112	M339 L342 V343 M348 D349 I356 C357	M339-A353 HydrophobicContact CE-CB 3.92Å; M339-A353 VanDerWaalsContact SD-C 3.53Å; M339-A353 HydrophobicContact SD-CB 3.99Å; L342-A353 HydrophobicContact CB-CB 3.74Å; L342-A353 HydrophobicContact CD1-CB 4.11Å; V343-A353 HydrophobicContact CG2-CB 3.74Å; M348-A353 HydrophobicContact CB-CB 4.3Å; D349-A353 WeakPolarHBondContact O-CB 3.48Å; D349-A353 PolarHBondContact O-N 3.41Å; A353-I356 PolarHBondContact O-N 3.11Å; A353-C357 VanDerWaalsContact O-CB 3.31Å; A353-C357 WeakPolarHBondContact O-CB 3.34Å; A353-C357 PolarHBondContact O-N 3.01Å
354	W	97.6	Very high	96.5	Very high	34 Å²	34	39.7 Å²	39.7	13%	0.129	20%	0.203	C	C	.	.	H	α-helix	trans	-68.5	-37.9	178.3	-177.4	-112.4	0	0	0	112.6	I335 M339 W350 I351 D352 C357 S358 I395 I436	I335-W354 HydrophobicContact CG2-CZ3 4.12Å; M339-W354 HydrophobicContact CE-CB 3.99Å; M339-W354 HydrophobicContact CE-CE3 4.29Å; M339-W354 HydrophobicContact CG-CE3 4.15Å; M339-W354 HydrophobicContact CG-CZ3 4.49Å; M339-W354 VanDerWaalsContact SD-CA 3.6Å; M339-W354 HydrophobicContact SD-CB 4.2Å; M339-W354 HydrophobicContact SD-CE3 3.85Å; W350-W354 VanDerWaalsContact O-CB 3.3Å; W350-W354 WeakPolarHBondContact O-CB 3.49Å; W350-W354 PolarHBondContact O-N 3.45Å; I351-W354 PolarHBondContact O-N 3.09Å; D352-W354 VanDerWaalsContact C-N 3.33Å; D352-W354 PolarHBondContact O-N 2.94Å; W354-C357 HydrophobicContact CE3-CB 4.28Å; W354-C357 PolarHBondContact O-N 2.9Å; W354-S358 WeakPolarHBondContact O-CB 3.42Å; W354-S358 PolarHBondContact O-N 2.66Å; W354-S358 PolarHBondContact O-OG 3.35Å; W354-S358 VanDerWaalsContact O-OG 3.14Å; W354-I395 HydrophobicContact CE3-CD1 4.3Å; W354-I395 HydrophobicContact CE3-CG1 4.07Å; W354-I395 HydrophobicContact CH2-CB 4.48Å; W354-I395 HydrophobicContact CH2-CD1 4.17Å; W354-I395 HydrophobicContact CH2-CG1 4.1Å; W354-I395 HydrophobicContact CH2-CG2 3.57Å; W354-I395 HydrophobicContact CZ2-CG2 4.1Å; W354-I395 HydrophobicContact CZ3-CB 4.49Å; W354-I395 HydrophobicContact CZ3-CD1 3.57Å; W354-I395 HydrophobicContact CZ3-CG1 3.64Å; W354-I395 HydrophobicContact CZ3-CG2 4.03Å; W354-I436 HydrophobicContact CH2-CG2 4.1Å; W354-I436 HydrophobicContact CZ2-CG2 3.94Å
355	D	96.9	Very high	96.5	Very high	68 Å²	68	38.3 Å²	38.3	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-47.5	173.3	177.1	73.5	0	0	0	111.1	I351 D352 S358 R359	I351-D355 PolarHBondContact O-N 3.43Å; D352-D355 PolarHBondContact O-N 3.45Å; D355-S358 PolarHBondContact O-OG 3.02Å; D355-S358 VanDerWaalsContact O-OG 3.06Å; D355-R359 WeakPolarHBondContact O-CG 3.49Å; D355-R359 PolarHBondContact O-N 3.48Å; D355-R359 PolarHBondContact O-NE 2.91Å; D355-R359 IonicContact OD1-NE 3.92Å; D355-R359 IonicContact OD2-CZ 2.9Å; D355-R359 IonicContact OD2-NE 2.61Å; D355-R359 PolarHBondContact OD2-NE 2.8Å; D355-R359 IonicContact OD2-NH2 3.53Å; D355-R359 PolarHBondContact OD2-NH2 3.28Å
356	I	97.6	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-51.9	173.9	-67.9	168	0	0	0	110.5	L315 F316 L318 P319 L342 M348 D352 A353 S358 R359 V360	L315-I356 HydrophobicContact CB-CD1 4.37Å; F316-I356 HydrophobicContact CD1-CD1 3.94Å; F316-I356 HydrophobicContact CD1-CG1 4.21Å; F316-I356 HydrophobicContact CE1-CD1 4.33Å; F316-I356 HydrophobicContact CG-CD1 4.39Å; L318-I356 HydrophobicContact CB-CG2 4.27Å; L318-I356 HydrophobicContact CD2-CG2 3.98Å; P319-I356 HydrophobicContact CG-CB 4.43Å; P319-I356 HydrophobicContact CG-CG2 4.08Å; L342-I356 HydrophobicContact CD1-CB 4.18Å; L342-I356 HydrophobicContact CD1-CG2 3.96Å; M348-I356 HydrophobicContact CE-CD1 3.46Å; M348-I356 VanDerWaalsContact CE-CD1 3.46Å; M348-I356 HydrophobicContact SD-CD1 3.97Å; D352-I356 PolarHBondContact O-N 2.97Å; D352-I356 VanDerWaalsContact O-N 3.14Å; A353-I356 PolarHBondContact O-N 3.11Å; I356-S358 PolarHBondContact O-N 3.46Å; I356-R359 PolarHBondContact O-N 3.42Å; I356-V360 HydrophobicContact CG2-CG2 4.17Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.37Å; I356-V360 PolarHBondContact O-N 3.28Å; I356-V360 VanDerWaalsContact O-N 3.09Å
357	C	96.8	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.7	-51.1	-176.4	-173	0	0	0	0	111.7	L338 M339 A353 W354 R359 V360 F361	L338-C357 HydrophobicContact CD2-CB 4.44Å; M339-C357 HydrophobicContact CG-CB 4.23Å; M339-C357 HydrophobicContact SD-CB 3.71Å; A353-C357 VanDerWaalsContact O-CB 3.31Å; A353-C357 WeakPolarHBondContact O-CB 3.34Å; A353-C357 PolarHBondContact O-N 3.01Å; W354-C357 HydrophobicContact CE3-CB 4.28Å; W354-C357 PolarHBondContact O-N 2.9Å; C357-R359 PolarHBondContact O-N 2.9Å; C357-V360 PolarHBondContact O-N 3.13Å; C357-V360 VanDerWaalsContact O-N 3.14Å; C357-F361 VanDerWaalsContact O-CD2 3.28Å; C357-F361 WeakPolarHBondContact O-CD2 3.27Å; C357-F361 PolarHBondContact O-N 3.06Å; C357-F361 VanDerWaalsContact SG-CE2 3.58Å
358	S	94.2	Very high	95.5	Very high	29 Å²	29	30 Å²	30	20%	0.203	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-29.1	-178.2	68.7	0	0	0	0	113.2	W354 D355 I356 H439	W354-S358 WeakPolarHBondContact O-CB 3.42Å; W354-S358 PolarHBondContact O-N 2.66Å; W354-S358 PolarHBondContact O-OG 3.35Å; W354-S358 VanDerWaalsContact O-OG 3.14Å; D355-S358 PolarHBondContact O-OG 3.02Å; D355-S358 VanDerWaalsContact O-OG 3.06Å; I356-S358 PolarHBondContact O-N 3.46Å; S358-H439 VanDerWaalsContact O-CB 3.28Å; S358-H439 WeakPolarHBondContact O-CB 3.45Å; S358-H439 PolarHBondContact O-N 3.27Å; S358-H439 PolarHBondContact O-ND1 3.26Å; S358-H439 VanDerWaalsContact O-ND1 3.13Å
359	R	97.1	Very high	94.9	Very high	85 Å²	85	29.7 Å²	29.7	32%	0.321	15%	0.147	S	C	.	.	H	α-helix	trans	-86.5	-15.5	177.9	-66.1	-171	-68.1	135.6	-2.5	114.3	P319 D355 I356 C357 H439	P319-R359 HydrophobicContact CB-CB 3.67Å; P319-R359 HydrophobicContact CG-CB 3.98Å; D355-R359 WeakPolarHBondContact O-CG 3.49Å; D355-R359 PolarHBondContact O-N 3.48Å; D355-R359 PolarHBondContact O-NE 2.91Å; D355-R359 IonicContact OD1-NE 3.92Å; D355-R359 IonicContact OD2-CZ 2.9Å; D355-R359 IonicContact OD2-NE 2.61Å; D355-R359 PolarHBondContact OD2-NE 2.8Å; D355-R359 IonicContact OD2-NH2 3.53Å; D355-R359 PolarHBondContact OD2-NH2 3.28Å; I356-R359 PolarHBondContact O-N 3.42Å; C357-R359 PolarHBondContact O-N 2.9Å; R359-H439 PolarHBondContact O-CE1 2.96Å; R359-H439 PolarHBondContact O-ND1 3.41Å
360	V	97.8	Very high	94.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-87.3	-37.1	-180	169.7	0	0	0	0	112.3	L318 P319 I324 L338 I356 C357	L318-V360 HydrophobicContact CD2-CG2 4.2Å; L318-V360 HydrophobicContact CG-CG2 4.1Å; P319-V360 HydrophobicContact CB-CG2 4.01Å; P319-V360 HydrophobicContact CG-CG2 3.9Å; I324-V360 HydrophobicContact CB-CG1 3.98Å; I324-V360 HydrophobicContact CD1-CG1 3.62Å; I324-V360 HydrophobicContact CG1-CG1 3.55Å; I324-V360 PolarHBondContact N-O 3.36Å; L338-V360 HydrophobicContact CD2-CB 4.42Å; L338-V360 HydrophobicContact CD2-CG1 4.39Å; I356-V360 HydrophobicContact CG2-CG2 4.17Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.37Å; I356-V360 PolarHBondContact O-N 3.28Å; I356-V360 VanDerWaalsContact O-N 3.09Å; C357-V360 PolarHBondContact O-N 3.13Å; C357-V360 VanDerWaalsContact O-N 3.14Å
361	F	98.6	Very high	93.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.9	-170.8	-68.4	-70	0	0	0	114.7	L299 I324 I326 A334 I335 L338 C357 S438 H439	L299-F361 HydrophobicContact CD2-CZ 4.4Å; I324-F361 HydrophobicContact CB-CD1 3.69Å; I324-F361 HydrophobicContact CB-CE1 3.71Å; I324-F361 HydrophobicContact CD1-CE1 3.9Å; I324-F361 HydrophobicContact CD1-CZ 4.22Å; I324-F361 HydrophobicContact CG1-CE1 4.39Å; I324-F361 HydrophobicContact CG2-CD1 3.81Å; I324-F361 HydrophobicContact CG2-CE1 3.58Å; I324-F361 WeakPolarHBondContact O-CA 3.42Å; I326-F361 HydrophobicContact CD1-CB 4.32Å; I326-F361 HydrophobicContact CD1-CD1 3.75Å; I326-F361 HydrophobicContact CD1-CE1 4.4Å; I326-F361 HydrophobicContact CD1-CG 4.22Å; I326-F361 HydrophobicContact CG1-CD1 3.93Å; A334-F361 HydrophobicContact CB-CE1 3.56Å; A334-F361 HydrophobicContact CB-CZ 3.79Å; A334-F361 VanDerWaalsContact O-CZ 3.31Å; A334-F361 WeakPolarHBondContact O-CZ 3.35Å; I335-F361 HydrophobicContact CB-CE2 4.4Å; I335-F361 HydrophobicContact CG1-CD1 4.5Å; I335-F361 HydrophobicContact CG1-CD2 3.73Å; I335-F361 HydrophobicContact CG1-CE2 3.99Å; I335-F361 HydrophobicContact CG1-CG 4.02Å; I335-F361 HydrophobicContact CG1-CZ 4.48Å; L338-F361 HydrophobicContact CB-CE2 4Å; L338-F361 HydrophobicContact CB-CZ 4.02Å; L338-F361 HydrophobicContact CD2-CE2 3.58Å; L338-F361 HydrophobicContact CD2-CZ 3.91Å; L338-F361 HydrophobicContact CG-CE2 4.43Å; C357-F361 VanDerWaalsContact O-CD2 3.28Å; C357-F361 WeakPolarHBondContact O-CD2 3.27Å; C357-F361 PolarHBondContact O-N 3.06Å; C357-F361 VanDerWaalsContact SG-CE2 3.58Å; F361-S438 CarbonylContact O-C 3.53Å; F361-S438 VanDerWaalsContact O-CA 3.27Å; F361-S438 WeakPolarHBondContact O-CA 3.47Å; F361-S438 WeakPolarHBondContact O-CB 3.33Å; F361-H439 PolarHBondContact O-CE1 3.44Å; F361-H439 PolarHBondContact O-N 2.93Å; F361-H439 PolarHBondContact O-ND1 2.83Å
362	T	98.4	Very high	93	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148	168.2	55.5	0	0	0	0	109.1	V323 I324 H325 I326 H439 F440 I814	V323-T362 HydrophobicContact CG2-CG2 4.02Å; I324-T362 PolarHBondContact O-N 3.47Å; H325-T362 PolarHBondContact ND1-OG1 3.17Å; I326-T362 PolarHBondContact N-O 3.09Å; T362-H439 WeakPolarHBondContact CG2-CE1 3.4Å; T362-H439 VanDerWaalsContact CG2-NE2 3.32Å; T362-H439 WeakPolarHBondContact CG2-NE2 3.34Å; T362-F440 HydrophobicContact CG2-CB 4.13Å; T362-F440 HydrophobicContact CG2-CD2 4.39Å; T362-I814 HydrophobicContact CG2-CG2 3.58Å
363	H	98.1	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.1	-173.3	168.8	60.6	0	0	0	112.4	I326 D328 C434 F440 V441 N442	I326-H363 HydrophobicContact CB-CB 4.47Å; D328-H363 PolarHBondContact O-CE1 3.11Å; D328-H363 PolarHBondContact O-ND1 3.23Å; H363-C434 HydrophobicContact CB-CB 4.22Å; H363-F440 PolarHBondContact N-O 3Å; H363-V441 CarbonylContact O-C 3.53Å; H363-V441 VanDerWaalsContact O-CA 3.26Å; H363-V441 WeakPolarHBondContact O-CA 3.35Å; H363-N442 PolarHBondContact O-N 3.43Å; H363-N442 PolarHBondContact O-OD1 3.32Å
364	T	98.1	Very high	92.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.6	167.4	-64.5	0	0	0	0	109.9	H325 I326 D328 H366 N442 V444 Y810	H325-T364 PolarHBondContact CE1-OG1 3.26Å; H325-T364 PolarHBondContact NE2-OG1 3.24Å; I326-T364 PolarHBondContact O-N 3.21Å; D328-T364 VanDerWaalsContact CA-O 3.25Å; D328-T364 WeakPolarHBondContact CA-O 3.46Å; D328-T364 PolarHBondContact N-O 3Å; T364-H366 WeakPolarHBondContact CG2-NE2 3.38Å; T364-N442 WeakPolarHBondContact CG2-ND2 3.23Å; T364-N442 PolarHBondContact OG1-ND2 3.36Å; T364-N442 VanDerWaalsContact OG1-ND2 3.16Å; T364-N442 PolarHBondContact OG1-OD1 2.86Å; T364-N442 VanDerWaalsContact OG1-OD1 3.05Å; T364-V444 HydrophobicContact CG2-CG1 3.47Å; T364-V444 VanDerWaalsContact CG2-CG1 3.47Å; T364-Y810 PolarHBondContact OG1-OH 2.94Å; T364-Y810 VanDerWaalsContact OG1-OH 3.08Å
365	N	96.4	Very high	92.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.			trans	-94.7	130.9	173.8	-173.3	-77.4	0	0	0	110.9	V367 D431 N442 Q448 L452	N365-V367 PolarHBondContact OD1-N 3.4Å; N365-V367 PolarHBondContact OD1-O 3.46Å; N365-D431 PolarHBondContact ND2-OD1 3.2Å; N365-N442 PolarHBondContact N-O 3.11Å; N365-Q448 PolarHBondContact O-NE2 3.32Å; N365-Q448 PolarHBondContact OD1-NE2 3.2Å; N365-L452 HydrophobicContact CB-CD1 4.11Å
366	H	93.6	Very high	92.3	Very high	34 Å²	34	28.9 Å²	28.9	16%	0.157	15%	0.147	C	C	.	.			trans	-110.3	4.4	179.6	-67.5	-90.1	0	0	0	113.7	L130 L133 N327 T364 A663	L130-H366 VanDerWaalsContact CD1-CD2 3.42Å; L130-H366 WeakPolarHBondContact CD1-CD2 3.35Å; L130-H366 WeakPolarHBondContact CD1-NE2 3.34Å; L133-H366 VanDerWaalsContact CD2-CE1 3.47Å; L133-H366 WeakPolarHBondContact CD2-CE1 3.37Å; N327-H366 PolarHBondContact OD1-NE2 3.26Å; T364-H366 WeakPolarHBondContact CG2-NE2 3.38Å; H366-A663 VanDerWaalsContact O-CB 3.27Å; H366-A663 WeakPolarHBondContact O-CB 3.27Å
367	V	86.1	Confident	92.2	Very high	17 Å²	17	29.7 Å²	29.7	10%	0.103	15%	0.152	C	C	.	.			trans	-99.7	144.7	-173.6	177.8	0	0	0	0	109.9	N365 Q369 C372 L373 Q448	N365-V367 PolarHBondContact OD1-N 3.4Å; N365-V367 PolarHBondContact OD1-O 3.46Å; V367-Q369 WeakPolarHBondContact CG1-O 3.42Å; V367-C372 HydrophobicContact CG1-CB 3.43Å; V367-C372 VanDerWaalsContact CG1-CB 3.43Å; V367-C372 HydrophobicContact CG2-CB 4.37Å; V367-L373 HydrophobicContact CG1-CD2 4.22Å; V367-Q448 PolarHBondContact O-NE2 2.96Å
368	S	82.2	Confident	92.3	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.07	16%	0.16	C	C	.	.			trans	-120.9	-8.2	174	-58.2	0	0	0	0	113.3	Q448 H451 A663	S368-Q448 WeakPolarHBondContact OG-CG 3.45Å; S368-H451 PolarHBondContact O-CD2 3.41Å; S368-H451 PolarHBondContact O-NE2 3.35Å; S368-A663 VanDerWaalsContact OG-CA 3.22Å; S368-A663 WeakPolarHBondContact OG-CA 3.43Å; S368-A663 WeakPolarHBondContact OG-CB 3.44Å; S368-A663 PolarHBondContact OG-N 3.06Å
369	Q	81.9	Confident	92.4	Very high	21 Å²	21	35.4 Å²	35.4	10%	0.098	18%	0.18	C	C	.	.	S	Bend	trans	-124	138.4	-172.4	-57.1	-173.1	-87.2	0	0	110.1	V367 E371 C372	V367-Q369 WeakPolarHBondContact CG1-O 3.42Å; Q369-E371 VanDerWaalsContact C-N 3.25Å; Q369-E371 HydrophobicContact CB-CG 4.12Å; Q369-E371 WeakPolarHBondContact CB-OE2 3.44Å; Q369-E371 PolarHBondContact NE2-OE1 3.3Å; Q369-E371 PolarHBondContact O-N 2.85Å; Q369-C372 HydrophobicContact CB-CB 4.5Å; Q369-C372 WeakPolarHBondContact O-CB 3.22Å; Q369-C372 PolarHBondContact O-N 3.09Å
370	V	82.6	Confident	92.3	Very high	83 Å²	83	31.4 Å²	31.4	50%	0.503	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-59.8	-38.9	-177.6	179.4	0	0	0	0	111	C372 L373 L456	V370-C372 PolarHBondContact O-N 2.94Å; V370-C372 VanDerWaalsContact O-N 3.12Å; V370-L373 HydrophobicContact CG1-CD1 4.25Å; V370-L373 WeakPolarHBondContact O-CB 3.27Å; V370-L373 WeakPolarHBondContact O-CG 3.32Å; V370-L373 PolarHBondContact O-N 3.38Å; V370-L373 VanDerWaalsContact O-N 3.07Å; V370-L456 HydrophobicContact CG2-CD2 3.37Å
371	E	80.8	Confident	92.3	Very high	138 Å²	138	31.4 Å²	31.4	65%	0.645	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-64.8	-13.2	178.9	61.7	-93.5	-146.7	0	0	114.5	Q369	Q369-E371 VanDerWaalsContact C-N 3.25Å; Q369-E371 HydrophobicContact CB-CG 4.12Å; Q369-E371 WeakPolarHBondContact CB-OE2 3.44Å; Q369-E371 PolarHBondContact NE2-OE1 3.3Å; Q369-E371 PolarHBondContact O-N 2.85Å
372	C	84.2	Confident	92.2	Very high	71 Å²	71	35.3 Å²	35.3	48%	0.48	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-102.1	-1.7	178.1	-68.6	0	0	0	0	112.4	V367 Q369 V370	V367-C372 HydrophobicContact CG1-CB 3.43Å; V367-C372 VanDerWaalsContact CG1-CB 3.43Å; V367-C372 HydrophobicContact CG2-CB 4.37Å; Q369-C372 HydrophobicContact CB-CB 4.5Å; Q369-C372 WeakPolarHBondContact O-CB 3.22Å; Q369-C372 PolarHBondContact O-N 3.09Å; V370-C372 PolarHBondContact O-N 2.94Å; V370-C372 VanDerWaalsContact O-N 3.12Å
373	L	90.5	Very high	92.2	Very high	19 Å²	19	39.7 Å²	39.7	10%	0.099	20%	0.2	C	C	.	.	S	Bend	trans	-65.7	148	172.3	-63.3	177.8	0	0	0	110.1	V367 V370 Y375 D431 F457	V367-L373 HydrophobicContact CG1-CD2 4.22Å; V370-L373 HydrophobicContact CG1-CD1 4.25Å; V370-L373 WeakPolarHBondContact O-CB 3.27Å; V370-L373 WeakPolarHBondContact O-CG 3.32Å; V370-L373 PolarHBondContact O-N 3.38Å; V370-L373 VanDerWaalsContact O-N 3.07Å; L373-Y375 HydrophobicContact CB-CE2 3.8Å; L373-Y375 WeakPolarHBondContact O-CD2 3.39Å; L373-Y375 WeakPolarHBondContact O-CE2 3.39Å; L373-D431 HydrophobicContact CD2-CB 4.3Å; L373-D431 WeakPolarHBondContact CD2-OD1 3.49Å; L373-F457 HydrophobicContact CD2-CE1 4.36Å; L373-F457 HydrophobicContact CD2-CZ 3.81Å
374	K	92.8	Very high	92.2	Very high	28 Å²	28	39.7 Å²	39.7	12%	0.122	20%	0.2	C	C	.	.			trans	-98.1	127.9	-170.2	-171.1	175.3	-165.9	171.6	0	112.6	E291 T329 M430 D431	E291-K374 IonicContact OE1-NZ 2.67Å; E291-K374 PolarHBondContact OE1-NZ 2.99Å; E291-K374 IonicContact OE2-NZ 3.89Å; E291-K374 PolarHBondContact OE2-NZ 3.49Å; T329-K374 WeakPolarHBondContact OG1-CB 3.24Å; T329-K374 WeakPolarHBondContact OG1-CD 3.34Å; K374-M430 HydrophobicContact CB-CB 4.25Å; K374-M430 HydrophobicContact CB-CG 4.49Å; K374-M430 HydrophobicContact CD-CB 4.46Å; K374-M430 HydrophobicContact CD-CG 4.3Å; K374-M430 HydrophobicContact CG-CB 4.4Å; K374-M430 HydrophobicContact CG-CG 4.15Å; K374-M430 PolarHBondContact O-N 3.48Å; K374-D431 PolarHBondContact N-OD2 3.03Å
375	Y	94.4	Very high	92.2	Very high	65 Å²	65	39.7 Å²	39.7	26%	0.255	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138	178.7	-56.3	-76.2	0	0	0	111.1	L373 I423 V427 V428	L373-Y375 HydrophobicContact CB-CE2 3.8Å; L373-Y375 WeakPolarHBondContact O-CD2 3.39Å; L373-Y375 WeakPolarHBondContact O-CE2 3.39Å; Y375-I423 HydrophobicContact CD1-CD1 3.75Å; Y375-I423 HydrophobicContact CD2-CD1 3.72Å; Y375-I423 HydrophobicContact CE1-CD1 3.47Å; Y375-I423 VanDerWaalsContact CE1-CD1 3.47Å; Y375-I423 HydrophobicContact CE2-CD1 3.44Å; Y375-I423 VanDerWaalsContact CE2-CD1 3.44Å; Y375-I423 HydrophobicContact CG-CD1 3.87Å; Y375-V427 HydrophobicContact CD1-CB 4.48Å; Y375-V427 HydrophobicContact CD1-CG2 3.73Å; Y375-V427 HydrophobicContact CG-CG2 4.11Å; Y375-V428 WeakPolarHBondContact CA-O 3.44Å
376	W	96.1	Very high	92.3	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.5	167.3	-72.1	121	0	0	0	110.3	K284 Q287 L288 L378 M380 V427 V428 M430	K284-W376 HydrophobicContact CB-CZ3 4.26Å; K284-W376 WeakPolarHBondContact O-CH2 3.23Å; K284-W376 VanDerWaalsContact O-CZ3 3.32Å; K284-W376 WeakPolarHBondContact O-CZ3 3.29Å; Q287-W376 HydrophobicContact CB-CH2 4.02Å; Q287-W376 HydrophobicContact CG-CH2 3.93Å; Q287-W376 HydrophobicContact CG-CZ2 4.31Å; L288-W376 HydrophobicContact CB-CD2 4.45Å; L288-W376 HydrophobicContact CB-CE3 4.28Å; L288-W376 HydrophobicContact CB-CH2 3.85Å; L288-W376 HydrophobicContact CB-CZ2 3.99Å; L288-W376 HydrophobicContact CB-CZ3 3.99Å; L288-W376 HydrophobicContact CD1-CD2 4.1Å; L288-W376 HydrophobicContact CD1-CG 4.3Å; L288-W376 HydrophobicContact CD1-CZ2 4.29Å; W376-L378 PolarHBondContact O-N 2.87Å; W376-M380 HydrophobicContact CE3-SD 4.22Å; W376-M380 HydrophobicContact CZ3-SD 4.34Å; W376-V427 CarbonylContact O-C 3.51Å; W376-V427 VanDerWaalsContact O-CA 3.27Å; W376-V427 WeakPolarHBondContact O-CA 3.26Å; W376-V428 PolarHBondContact N-O 3.45Å; W376-V428 VanDerWaalsContact N-O 3.09Å; W376-V428 PolarHBondContact O-N 3.28Å; W376-M430 VanDerWaalsContact CD1-SD 3.56Å
377	P	96.1	Very high	92.5	Very high	18 Å²	18	39.4 Å²	39.4	12%	0.117	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	128.9	170.1	-24.4	34.5	0	0	0	110.3	D379 M380 L381	P377-D379 VanDerWaalsContact C-N 3.28Å; P377-D379 PolarHBondContact O-N 3.34Å; P377-M380 HydrophobicContact CB-CB 4.21Å; P377-M380 PolarHBondContact O-N 3.34Å; P377-L381 PolarHBondContact O-N 2.89Å
378	L	97.5	Very high	93.1	Very high	30 Å²	30	38.6 Å²	38.6	16%	0.157	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-39.8	-173.6	177	56.8	0	0	0	111.9	W376 L381 Q382 V389 F420 P426 V428	W376-L378 PolarHBondContact O-N 2.87Å; L378-L381 PolarHBondContact O-N 3.34Å; L378-Q382 VanDerWaalsContact O-CB 3.27Å; L378-Q382 WeakPolarHBondContact O-CB 3.48Å; L378-Q382 PolarHBondContact O-N 3.29Å; L378-V389 HydrophobicContact CD1-CG1 3.81Å; L378-V389 HydrophobicContact CD1-CG2 4.49Å; L378-F420 HydrophobicContact CD1-CD1 4.2Å; L378-F420 HydrophobicContact CD1-CE1 3.7Å; L378-F420 HydrophobicContact CD2-CD1 4.22Å; L378-F420 HydrophobicContact CD2-CE1 4.36Å; L378-P426 HydrophobicContact CB-CB 4.14Å; L378-P426 WeakPolarHBondContact CB-O 3.2Å; L378-P426 HydrophobicContact CD2-CB 4.18Å; L378-P426 PolarHBondContact N-O 2.83Å; L378-V428 HydrophobicContact CD1-CG2 3.92Å
379	D	96.5	Very high	93.9	Very high	118 Å²	118	38.1 Å²	38.1	63%	0.631	19%	0.192	S	C	*	.	H	α-helix	trans	-61.7	-44.7	178.1	-178.5	55	0	0	0	112.1	P377 L381 Q382 R383	P377-D379 VanDerWaalsContact C-N 3.28Å; P377-D379 PolarHBondContact O-N 3.34Å; D379-L381 PolarHBondContact O-N 3.3Å; D379-Q382 PolarHBondContact O-N 3.34Å; D379-R383 WeakPolarHBondContact O-CB 3.38Å; D379-R383 PolarHBondContact O-N 3.18Å
380	M	96.3	Very high	94.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-48.3	175.5	-179.6	-176.7	-71.1	0	0	111.1	F281 K284 E285 L288 W376 P377 Q382 R383 V384	F281-M380 HydrophobicContact CD2-CE 3.58Å; F281-M380 HydrophobicContact CE1-CE 4.4Å; F281-M380 HydrophobicContact CE2-CE 3.36Å; F281-M380 HydrophobicContact CG-CE 4.22Å; F281-M380 HydrophobicContact CZ-CE 3.83Å; K284-M380 HydrophobicContact CB-CE 3.86Å; K284-M380 HydrophobicContact CB-SD 4.25Å; E285-M380 HydrophobicContact CB-CE 4.28Å; E285-M380 HydrophobicContact CB-SD 4.27Å; L288-M380 HydrophobicContact CD2-CG 3.97Å; L288-M380 HydrophobicContact CD2-SD 4.27Å; W376-M380 HydrophobicContact CE3-SD 4.22Å; W376-M380 HydrophobicContact CZ3-SD 4.34Å; P377-M380 HydrophobicContact CB-CB 4.21Å; P377-M380 PolarHBondContact O-N 3.34Å; M380-Q382 VanDerWaalsContact C-N 3.31Å; M380-Q382 PolarHBondContact O-N 3.05Å; M380-R383 PolarHBondContact O-N 3.4Å; M380-V384 HydrophobicContact CG-CG2 4.49Å; M380-V384 WeakPolarHBondContact O-CG2 3.23Å; M380-V384 PolarHBondContact O-N 3.04Å
381	L	97.2	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-39.7	179.6	-168.1	66.6	0	0	0	111.4	L288 L333 P377 L378 D379 V384 L385 V389 I392 V428	L288-L381 HydrophobicContact CD1-CD1 3.75Å; L288-L381 HydrophobicContact CD2-CD1 4.03Å; L333-L381 HydrophobicContact CD2-CD1 4.24Å; P377-L381 PolarHBondContact O-N 2.89Å; L378-L381 PolarHBondContact O-N 3.34Å; D379-L381 PolarHBondContact O-N 3.3Å; L381-V384 PolarHBondContact O-N 2.7Å; L381-L385 HydrophobicContact CD1-CB 4.39Å; L381-L385 HydrophobicContact CD1-CD1 3.97Å; L381-L385 CarbonylContact O-C 3.51Å; L381-L385 WeakPolarHBondContact O-CA 3.31Å; L381-L385 PolarHBondContact O-N 2.98Å; L381-V389 HydrophobicContact CB-CG2 4.04Å; L381-V389 HydrophobicContact CD2-CG2 3.87Å; L381-V389 HydrophobicContact CG-CG2 3.64Å; L381-I392 HydrophobicContact CD2-CD1 3.97Å; L381-V428 HydrophobicContact CD2-CB 4.11Å; L381-V428 HydrophobicContact CD2-CG1 4.17Å; L381-V428 HydrophobicContact CD2-CG2 3.83Å
382	Q	97.5	Very high	96.2	Very high	82 Å²	82	28.7 Å²	28.7	38%	0.383	14%	0.142	S	C	.	.	H	α-helix	trans	-68.2	-35.9	178.8	-176.9	163.3	-12.8	0	0	112.3	L378 D379 M380 P386 V389	L378-Q382 VanDerWaalsContact O-CB 3.27Å; L378-Q382 WeakPolarHBondContact O-CB 3.48Å; L378-Q382 PolarHBondContact O-N 3.29Å; D379-Q382 PolarHBondContact O-N 3.34Å; M380-Q382 VanDerWaalsContact C-N 3.31Å; M380-Q382 PolarHBondContact O-N 3.05Å; Q382-P386 VanDerWaalsContact O-CA 3.26Å; Q382-P386 WeakPolarHBondContact O-CA 3.28Å; Q382-P386 VanDerWaalsContact O-CB 3.31Å; Q382-P386 WeakPolarHBondContact O-CB 3.48Å; Q382-P386 WeakPolarHBondContact O-CD 3.4Å; Q382-V389 HydrophobicContact CB-CG2 4.13Å
383	R	97	Very high	96.9	Very high	92 Å²	92	29.5 Å²	29.5	35%	0.347	14%	0.135	S	C	.	.	H	α-helix	trans	-69	-46	174.5	-178.8	173.3	55.6	89	8.7	112	Y197 F281 E285 D379 M380	Y197-R383 HydrophobicContact CD1-CG 4.3Å; F281-R383 VanDerWaalsContact CE1-NH2 3.34Å; E285-R383 VanDerWaalsContact CD-NH1 3.3Å; E285-R383 IonicContact OE1-CZ 2.9Å; E285-R383 IonicContact OE1-NH1 3.97Å; E285-R383 PolarHBondContact OE1-NH1 3.49Å; E285-R383 IonicContact OE1-NH2 2.8Å; E285-R383 IonicContact OE2-CZ 3.87Å; E285-R383 VanDerWaalsContact OE2-CZ 3.29Å; E285-R383 IonicContact OE2-NH1 2.73Å; E285-R383 PolarHBondContact OE2-NH1 2.84Å; E285-R383 IonicContact OE2-NH2 2.81Å; E285-R383 PolarHBondContact OE2-NH2 3.19Å; D379-R383 WeakPolarHBondContact O-CB 3.38Å; D379-R383 PolarHBondContact O-N 3.18Å; M380-R383 PolarHBondContact O-N 3.4Å
384	V	97.4	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-80	-38	-174.7	-177.1	0	0	0	0	111.9	F196 Y197 E285 L288 K289 M380 L381	F196-V384 HydrophobicContact CD1-CG1 3.91Å; Y197-V384 WeakPolarHBondContact CA-O 3.45Å; Y197-V384 HydrophobicContact CD1-CG2 4.34Å; Y197-V384 HydrophobicContact CE1-CB 4.48Å; Y197-V384 HydrophobicContact CE1-CG2 3.88Å; Y197-V384 PolarHBondContact N-O 2.51Å; E285-V384 HydrophobicContact CG-CG2 4.06Å; L288-V384 HydrophobicContact CD2-CB 4.01Å; L288-V384 HydrophobicContact CD2-CG1 4.31Å; L288-V384 HydrophobicContact CD2-CG2 4.11Å; K289-V384 HydrophobicContact CG-CG1 4.29Å; M380-V384 HydrophobicContact CG-CG2 4.49Å; M380-V384 WeakPolarHBondContact O-CG2 3.23Å; M380-V384 PolarHBondContact O-N 3.04Å; L381-V384 PolarHBondContact O-N 2.7Å
385	L	98.5	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.			trans	-136.5	61.9	-171.6	-59.8	178.1	0	0	0	111.6	W210 L288 Y292 L333 L381 R387 H388 V389	W210-L385 HydrophobicContact CH2-CD2 3.86Å; W210-L385 HydrophobicContact CZ2-CD2 4.32Å; L288-L385 HydrophobicContact CD1-CD1 4.4Å; Y292-L385 HydrophobicContact CD1-CD2 3.54Å; Y292-L385 HydrophobicContact CD2-CD1 3.66Å; Y292-L385 HydrophobicContact CD2-CD2 3.8Å; Y292-L385 HydrophobicContact CD2-CG 4.42Å; Y292-L385 HydrophobicContact CE1-CD2 3.69Å; Y292-L385 HydrophobicContact CE2-CD1 4.34Å; Y292-L385 HydrophobicContact CE2-CD2 3.96Å; Y292-L385 HydrophobicContact CG-CD1 3.79Å; Y292-L385 HydrophobicContact CG-CD2 3.57Å; Y292-L385 HydrophobicContact CG-CG 4.34Å; L333-L385 HydrophobicContact CD1-CD1 3.8Å; L333-L385 HydrophobicContact CD2-CD1 4.26Å; L381-L385 HydrophobicContact CD1-CB 4.39Å; L381-L385 HydrophobicContact CD1-CD1 3.97Å; L381-L385 CarbonylContact O-C 3.51Å; L381-L385 WeakPolarHBondContact O-CA 3.31Å; L381-L385 PolarHBondContact O-N 2.98Å; L385-R387 VanDerWaalsContact C-N 3.3Å; L385-R387 PolarHBondContact O-N 3.28Å; L385-H388 HydrophobicContact CB-CB 3.96Å; L385-H388 PolarHBondContact O-N 3.49Å; L385-H388 VanDerWaalsContact O-N 3.14Å; L385-V389 PolarHBondContact O-N 3.3Å
386	P	98.4	Very high	97.6	Very high	19 Å²	19	28 Å²	28	12%	0.123	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-38.8	-171.6	21.8	-33.3	0	0	0	113.2	Y197 V200 Q382 V389 E390	Y197-P386 WeakPolarHBondContact O-CD 3.36Å; V200-P386 HydrophobicContact CG2-CB 4.35Å; Q382-P386 VanDerWaalsContact O-CA 3.26Å; Q382-P386 WeakPolarHBondContact O-CA 3.28Å; Q382-P386 VanDerWaalsContact O-CB 3.31Å; Q382-P386 WeakPolarHBondContact O-CB 3.48Å; Q382-P386 WeakPolarHBondContact O-CD 3.4Å; P386-V389 PolarHBondContact O-N 3.18Å; P386-E390 PolarHBondContact O-N 2.93Å
387	R	98.3	Very high	97.6	Very high	8 Å²	8	31.5 Å²	31.5	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-67.8	-39.8	179.4	-176.3	54.4	-175.5	135	6.1	112.3	V200 W210 R340 D344 L385 V389 E390 I391	V200-R387 HydrophobicContact CG2-CB 3.72Å; V200-R387 HydrophobicContact CG2-CG 4.37Å; W210-R387 HydrophobicContact CB-CB 4.37Å; W210-R387 HydrophobicContact CG-CB 4.25Å; R340-R387 HydrophobicContact CG-CG 3.86Å; D344-R387 IonicContact OD1-CZ 2.89Å; D344-R387 IonicContact OD1-NE 3.27Å; D344-R387 PolarHBondContact OD1-NE 3.15Å; D344-R387 IonicContact OD1-NH2 2.8Å; D344-R387 PolarHBondContact OD1-NH2 3.02Å; D344-R387 WeakPolarHBondContact OD2-CG 3.42Å; D344-R387 IonicContact OD2-CZ 3.04Å; D344-R387 IonicContact OD2-NE 3.48Å; D344-R387 PolarHBondContact OD2-NE 2.72Å; D344-R387 IonicContact OD2-NH2 3.78Å; L385-R387 VanDerWaalsContact C-N 3.3Å; L385-R387 PolarHBondContact O-N 3.28Å; R387-V389 VanDerWaalsContact C-N 3.29Å; R387-V389 PolarHBondContact O-N 3.14Å; R387-E390 IonicContact NH1-OE2 2.67Å; R387-E390 PolarHBondContact NH1-OE2 3Å; R387-E390 VanDerWaalsContact NH1-OE2 3.13Å; R387-E390 WeakPolarHBondContact O-CB 3.36Å; R387-E390 PolarHBondContact O-N 2.91Å; R387-I391 HydrophobicContact CG-CD1 4.18Å; R387-I391 WeakPolarHBondContact O-CG1 3.43Å; R387-I391 PolarHBondContact O-N 3.32Å
388	H	98.7	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-35.8	179	-55.6	73.2	0	0	0	111.1	W210 Y292 P336 E337 L385 I391 I392	W210-H388 AromaticContact CH2-CE1 3.97Å; W210-H388 AromaticContact CZ3-CE1 3.71Å; Y292-H388 AromaticContact CE2-CD2 3.82Å; Y292-H388 AromaticContact CE2-CE1 3.55Å; Y292-H388 AromaticContact CE2-NE2 3.18Å; Y292-H388 WeakPolarHBondContact CE2-NE2 3.43Å; Y292-H388 AromaticContact CZ-CE1 3.53Å; Y292-H388 AromaticContact CZ-NE2 3.53Å; Y292-H388 PolarHBondContact OH-CE1 2.92Å; Y292-H388 PolarHBondContact OH-NE2 3.18Å; P336-H388 HydrophobicContact CB-CB 4.27Å; E337-H388 IonicContact OE2-CD2 3.73Å; E337-H388 IonicContact OE2-CE1 3.77Å; E337-H388 IonicContact OE2-NE2 3.73Å; E337-H388 PolarHBondContact OE2-NE2 2.68Å; L385-H388 HydrophobicContact CB-CB 3.96Å; L385-H388 PolarHBondContact O-N 3.49Å; L385-H388 VanDerWaalsContact O-N 3.14Å; H388-I391 PolarHBondContact O-N 2.96Å; H388-I392 WeakPolarHBondContact O-CB 3.35Å; H388-I392 WeakPolarHBondContact O-CD1 3.41Å; H388-I392 WeakPolarHBondContact O-CG1 3.47Å; H388-I392 PolarHBondContact O-N 3.29Å
389	V	98.5	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-42.7	172.8	176.8	0	0	0	0	111.7	L378 L381 Q382 L385 P386 R387 I391 I392 R393	L378-V389 HydrophobicContact CD1-CG1 3.81Å; L378-V389 HydrophobicContact CD1-CG2 4.49Å; L381-V389 HydrophobicContact CB-CG2 4.04Å; L381-V389 HydrophobicContact CD2-CG2 3.87Å; L381-V389 HydrophobicContact CG-CG2 3.64Å; Q382-V389 HydrophobicContact CB-CG2 4.13Å; L385-V389 PolarHBondContact O-N 3.3Å; P386-V389 PolarHBondContact O-N 3.18Å; R387-V389 VanDerWaalsContact C-N 3.29Å; R387-V389 PolarHBondContact O-N 3.14Å; V389-I391 VanDerWaalsContact C-N 3.31Å; V389-I391 PolarHBondContact O-N 3.01Å; V389-I392 PolarHBondContact O-N 3.03Å; V389-R393 VanDerWaalsContact CG1-CZ 3.47Å; V389-R393 WeakPolarHBondContact O-CG 3.11Å; V389-R393 PolarHBondContact O-N 3.28Å
390	E	97.9	Very high	97.5	Very high	44 Å²	44	32.4 Å²	32.4	21%	0.206	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-41.8	173.9	-69.1	-172	-171.2	0	0	112.2	R202 P386 R387 R393 N394	R202-E390 IonicContact CZ-OE2 3.2Å; R202-E390 IonicContact NE-OE2 2.81Å; R202-E390 IonicContact NH2-OE2 2.79Å; R202-E390 PolarHBondContact NH2-OE2 2.92Å; P386-E390 PolarHBondContact O-N 2.93Å; R387-E390 IonicContact NH1-OE2 2.67Å; R387-E390 PolarHBondContact NH1-OE2 3Å; R387-E390 VanDerWaalsContact NH1-OE2 3.13Å; R387-E390 WeakPolarHBondContact O-CB 3.36Å; R387-E390 PolarHBondContact O-N 2.91Å; E390-R393 PolarHBondContact O-N 3.04Å; E390-N394 PolarHBondContact O-N 3.4Å
391	I	98.4	Very high	97.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-45.6	177	-68.7	169.9	0	0	0	110.8	P336 M339 R340 W350 R387 H388 V389 R393 N394 I395	P336-I391 HydrophobicContact CB-CB 4.39Å; P336-I391 HydrophobicContact CB-CG2 3.85Å; M339-I391 HydrophobicContact CB-CG2 3.65Å; M339-I391 HydrophobicContact CG-CG2 4.28Å; R340-I391 VanDerWaalsContact CA-CD1 3.49Å; R340-I391 HydrophobicContact CB-CD1 3.46Å; R340-I391 VanDerWaalsContact CB-CD1 3.46Å; R340-I391 HydrophobicContact CG-CD1 3.91Å; W350-I391 HydrophobicContact CH2-CB 4.33Å; W350-I391 HydrophobicContact CH2-CG2 3.86Å; W350-I391 HydrophobicContact CZ3-CG1 4.3Å; W350-I391 HydrophobicContact CZ3-CG2 4.29Å; R387-I391 HydrophobicContact CG-CD1 4.18Å; R387-I391 WeakPolarHBondContact O-CG1 3.43Å; R387-I391 PolarHBondContact O-N 3.32Å; H388-I391 PolarHBondContact O-N 2.96Å; V389-I391 VanDerWaalsContact C-N 3.31Å; V389-I391 PolarHBondContact O-N 3.01Å; I391-R393 VanDerWaalsContact C-N 3.32Å; I391-R393 PolarHBondContact O-N 3.47Å; I391-N394 PolarHBondContact O-N 2.97Å; I391-N394 VanDerWaalsContact O-N 3.14Å; I391-I395 HydrophobicContact CG2-CD1 3.97Å; I391-I395 WeakPolarHBondContact O-CG1 3.48Å; I391-I395 PolarHBondContact O-N 3.26Å
392	I	98.6	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-40.9	177.5	-67	163.5	0	0	0	110.6	P336 L381 H388 V389 N394 I395 D396 I419 F420 V428 L433	P336-I392 HydrophobicContact CB-CD1 4.44Å; P336-I392 HydrophobicContact CB-CG1 3.96Å; P336-I392 HydrophobicContact CG-CD1 4.21Å; P336-I392 HydrophobicContact CG-CG1 4.13Å; L381-I392 HydrophobicContact CD2-CD1 3.97Å; H388-I392 WeakPolarHBondContact O-CB 3.35Å; H388-I392 WeakPolarHBondContact O-CD1 3.41Å; H388-I392 WeakPolarHBondContact O-CG1 3.47Å; H388-I392 PolarHBondContact O-N 3.29Å; V389-I392 PolarHBondContact O-N 3.03Å; I392-N394 VanDerWaalsContact C-N 3.33Å; I392-N394 PolarHBondContact O-N 3.05Å; I392-I395 PolarHBondContact O-N 3.14Å; I392-D396 WeakPolarHBondContact O-CB 3.07Å; I392-D396 PolarHBondContact O-N 2.89Å; I392-I419 HydrophobicContact CG2-CB 4.34Å; I392-I419 HydrophobicContact CG2-CD1 4.35Å; I392-I419 HydrophobicContact CG2-CG2 3.57Å; I392-F420 HydrophobicContact CB-CZ 4.29Å; I392-F420 HydrophobicContact CG2-CE2 3.86Å; I392-F420 HydrophobicContact CG2-CZ 3.65Å; I392-V428 HydrophobicContact CD1-CG1 4.4Å; I392-V428 HydrophobicContact CG2-CG1 4.33Å; I392-L433 HydrophobicContact CD1-CD2 4.38Å; I392-L433 HydrophobicContact CG1-CD1 4.44Å; I392-L433 HydrophobicContact CG1-CD2 4.45Å
393	R	98.1	Very high	97.2	Very high	88 Å²	88	33.5 Å²	33.5	33%	0.332	17%	0.169	S	C	.	.	H	α-helix	trans	-58.1	-44.7	173.2	-74.4	178	-177.9	136.1	3.6	111.6	V389 E390 I391 D396 C397 F420	V389-R393 VanDerWaalsContact CG1-CZ 3.47Å; V389-R393 WeakPolarHBondContact O-CG 3.11Å; V389-R393 PolarHBondContact O-N 3.28Å; E390-R393 PolarHBondContact O-N 3.04Å; I391-R393 VanDerWaalsContact C-N 3.32Å; I391-R393 PolarHBondContact O-N 3.47Å; R393-D396 PolarHBondContact O-N 3.48Å; R393-C397 WeakPolarHBondContact O-CB 3.5Å; R393-C397 PolarHBondContact O-N 2.64Å; R393-C397 PolarHBondContact O-SG 2.89Å; R393-F420 HydrophobicContact CB-CE2 4.4Å; R393-F420 HydrophobicContact CB-CZ 4.3Å; R393-F420 HydrophobicContact CG-CE1 4.23Å; R393-F420 HydrophobicContact CG-CE2 3.86Å; R393-F420 HydrophobicContact CG-CZ 3.42Å; R393-F420 VanDerWaalsContact CG-CZ 3.42Å
394	N	97	Very high	97.1	Very high	68 Å²	68	32.7 Å²	32.7	36%	0.364	17%	0.171	S	C	.	.	H	α-helix	trans	-66.3	-39.5	177.8	-73.7	-3.2	0	0	0	112.5	W350 E390 I391 I392 C397 H398	W350-N394 HydrophobicContact CH2-CB 3.34Å; W350-N394 HydrophobicContact CZ2-CB 3.37Å; W350-N394 HydrophobicContact CZ3-CB 4.05Å; E390-N394 PolarHBondContact O-N 3.4Å; I391-N394 PolarHBondContact O-N 2.97Å; I391-N394 VanDerWaalsContact O-N 3.14Å; I392-N394 VanDerWaalsContact C-N 3.33Å; I392-N394 PolarHBondContact O-N 3.05Å; N394-C397 PolarHBondContact O-N 3.04Å; N394-H398 WeakPolarHBondContact O-CB 3.27Å; N394-H398 PolarHBondContact O-N 2.48Å
395	I	98.1	Very high	96.9	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-48.5	173.7	-67.5	167.2	0	0	0	110.1	I335 W350 W354 I391 I392 H398 F399 I419 L433 I436	I335-I395 HydrophobicContact CG2-CD1 4.28Å; W350-I395 HydrophobicContact CH2-CG1 4.25Å; W350-I395 HydrophobicContact CZ2-CG1 3.97Å; W354-I395 HydrophobicContact CE3-CD1 4.3Å; W354-I395 HydrophobicContact CE3-CG1 4.07Å; W354-I395 HydrophobicContact CH2-CB 4.48Å; W354-I395 HydrophobicContact CH2-CD1 4.17Å; W354-I395 HydrophobicContact CH2-CG1 4.1Å; W354-I395 HydrophobicContact CH2-CG2 3.57Å; W354-I395 HydrophobicContact CZ2-CG2 4.1Å; W354-I395 HydrophobicContact CZ3-CB 4.49Å; W354-I395 HydrophobicContact CZ3-CD1 3.57Å; W354-I395 HydrophobicContact CZ3-CG1 3.64Å; W354-I395 HydrophobicContact CZ3-CG2 4.03Å; I391-I395 HydrophobicContact CG2-CD1 3.97Å; I391-I395 WeakPolarHBondContact O-CG1 3.48Å; I391-I395 PolarHBondContact O-N 3.26Å; I392-I395 PolarHBondContact O-N 3.14Å; I395-H398 PolarHBondContact O-N 2.95Å; I395-F399 WeakPolarHBondContact O-CB 3.27Å; I395-F399 PolarHBondContact O-N 2.83Å; I395-I419 HydrophobicContact CB-CD1 4.41Å; I395-I419 HydrophobicContact CG2-CD1 3.78Å; I395-L433 HydrophobicContact CD1-CD1 4.38Å; I395-I436 HydrophobicContact CG2-CG2 3.88Å
396	D	97.9	Very high	96.7	Very high	10 Å²	10	50 Å²	50	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-39.6	-178.9	-161.3	55.3	0	0	0	112.3	I392 R393 F399 K400 F414 S418 I419 F420	I392-D396 WeakPolarHBondContact O-CB 3.07Å; I392-D396 PolarHBondContact O-N 2.89Å; R393-D396 PolarHBondContact O-N 3.48Å; D396-F399 WeakPolarHBondContact O-CB 3.38Å; D396-F399 PolarHBondContact O-N 3.3Å; D396-K400 PolarHBondContact O-N 2.82Å; D396-F414 VanDerWaalsContact OD2-CZ 3.32Å; D396-F414 WeakPolarHBondContact OD2-CZ 3.26Å; D396-S418 VanDerWaalsContact CG-OG 3.32Å; D396-S418 WeakPolarHBondContact OD1-CA 3.18Å; D396-S418 PolarHBondContact OD1-OG 3.08Å; D396-S418 PolarHBondContact OD2-OG 2.96Å; D396-I419 HydrophobicContact CB-CB 4.38Å; D396-I419 HydrophobicContact CB-CD1 4.19Å; D396-I419 PolarHBondContact OD1-N 3.14Å; D396-F420 HydrophobicContact CB-CD2 4.02Å; D396-F420 HydrophobicContact CB-CE2 3.9Å
397	C	96.5	Very high	96.6	Very high	80 Å²	80	51.7 Å²	51.7	54%	0.541	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-43	173.1	-77.3	0	0	0	0	112.5	R393 N394 F399 K400 S401	R393-C397 WeakPolarHBondContact O-CB 3.5Å; R393-C397 PolarHBondContact O-N 2.64Å; R393-C397 PolarHBondContact O-SG 2.89Å; N394-C397 PolarHBondContact O-N 3.04Å; C397-F399 VanDerWaalsContact C-N 3.33Å; C397-K400 WeakPolarHBondContact O-CB 3.35Å; C397-K400 PolarHBondContact O-N 3.06Å; C397-S401 PolarHBondContact O-N 3.27Å
398	H	94.8	Very high	96.3	Very high	85 Å²	85	55.9 Å²	55.9	39%	0.394	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-43.1	174.1	-175.6	79.1	0	0	0	110.7	N394 I395 K400 S401 V402	N394-H398 WeakPolarHBondContact O-CB 3.27Å; N394-H398 PolarHBondContact O-N 2.48Å; I395-H398 PolarHBondContact O-N 2.95Å; H398-K400 VanDerWaalsContact C-N 3.34Å; H398-K400 PolarHBondContact O-N 3.38Å; H398-S401 VanDerWaalsContact O-CB 3.32Å; H398-S401 WeakPolarHBondContact O-CB 3.31Å; H398-S401 PolarHBondContact O-N 3.33Å; H398-V402 PolarHBondContact O-N 2.71Å
399	F	96.3	Very high	96.1	Very high	5 Å²	5	61.5 Å²	61.5	2%	0.022	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-38.4	178.3	-174.8	-123.9	0	0	0	113	I395 D396 C397 S401 V402 I403 M417 I436 F460 L463 W464	I395-F399 WeakPolarHBondContact O-CB 3.27Å; I395-F399 PolarHBondContact O-N 2.83Å; D396-F399 WeakPolarHBondContact O-CB 3.38Å; D396-F399 PolarHBondContact O-N 3.3Å; C397-F399 VanDerWaalsContact C-N 3.33Å; F399-S401 PolarHBondContact O-N 2.62Å; F399-V402 HydrophobicContact CD2-CB 4.38Å; F399-V402 WeakPolarHBondContact O-CA 3.31Å; F399-V402 WeakPolarHBondContact O-CB 3.43Å; F399-V402 PolarHBondContact O-N 3.47Å; F399-I403 HydrophobicContact CD1-CG1 4.33Å; F399-I403 HydrophobicContact CE1-CD1 4.11Å; F399-I403 HydrophobicContact CE1-CG1 4Å; F399-I403 HydrophobicContact CE2-CD1 3.92Å; F399-I403 HydrophobicContact CE2-CG1 4.23Å; F399-I403 HydrophobicContact CZ-CD1 3.62Å; F399-I403 HydrophobicContact CZ-CG1 3.96Å; F399-I403 PolarHBondContact O-N 2.87Å; F399-M417 HydrophobicContact CE1-CB 3.88Å; F399-M417 HydrophobicContact CE1-CE 4.39Å; F399-M417 HydrophobicContact CZ-CB 4.42Å; F399-M417 HydrophobicContact CZ-CE 3.8Å; F399-I436 HydrophobicContact CD1-CD1 3.45Å; F399-I436 VanDerWaalsContact CD1-CD1 3.45Å; F399-I436 HydrophobicContact CD1-CG1 4.1Å; F399-I436 HydrophobicContact CD2-CD1 4.37Å; F399-I436 HydrophobicContact CD2-CG1 4.19Å; F399-I436 HydrophobicContact CD2-CG2 4.34Å; F399-I436 HydrophobicContact CE1-CD1 3.58Å; F399-I436 HydrophobicContact CE1-CG1 3.98Å; F399-I436 HydrophobicContact CE2-CD1 4.49Å; F399-I436 HydrophobicContact CE2-CG1 4.1Å; F399-I436 HydrophobicContact CG-CD1 3.86Å; F399-I436 HydrophobicContact CG-CG1 4.18Å; F399-I436 HydrophobicContact CG-CG2 4.4Å; F399-I436 HydrophobicContact CZ-CD1 4.1Å; F399-I436 HydrophobicContact CZ-CG1 3.96Å; F399-F460 AromaticContact CE1-CE1 3.93Å; F399-F460 HydrophobicContact CE1-CE1 3.93Å; F399-F460 HydrophobicContact CZ-CD1 4.16Å; F399-F460 AromaticContact CZ-CE1 3.74Å; F399-F460 HydrophobicContact CZ-CE1 3.74Å; F399-L463 HydrophobicContact CE2-CD2 3.6Å; F399-L463 HydrophobicContact CZ-CD2 3.96Å; F399-W464 AromaticContact CD2-CH2 3.95Å; F399-W464 HydrophobicContact CD2-CH2 3.95Å; F399-W464 AromaticContact CE2-CH2 3.36Å; F399-W464 HydrophobicContact CE2-CH2 3.36Å; F399-W464 HydrophobicContact CE2-CZ2 4.07Å; F399-W464 AromaticContact CE2-CZ3 3.91Å; F399-W464 HydrophobicContact CE2-CZ3 3.91Å; F399-W464 HydrophobicContact CZ-CH2 4.27Å; F399-W464 HydrophobicContact CZ-CZ3 4.41Å
400	K	96.3	Very high	95.9	Very high	95 Å²	95	63.6 Å²	63.6	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-52.1	-41.3	171.5	-170.2	173.1	-177.1	174.3	0	112.4	D396 C397 H398 V402 I403 N404 F414	D396-K400 PolarHBondContact O-N 2.82Å; C397-K400 WeakPolarHBondContact O-CB 3.35Å; C397-K400 PolarHBondContact O-N 3.06Å; H398-K400 VanDerWaalsContact C-N 3.34Å; H398-K400 PolarHBondContact O-N 3.38Å; K400-V402 VanDerWaalsContact C-N 3.33Å; K400-V402 PolarHBondContact O-N 2.54Å; K400-I403 PolarHBondContact O-N 2.8Å; K400-N404 WeakPolarHBondContact O-CB 3.43Å; K400-N404 PolarHBondContact O-N 3.32Å; K400-F414 VanDerWaalsContact CA-CD2 3.49Å; K400-F414 HydrophobicContact CB-CD1 4.5Å; K400-F414 HydrophobicContact CB-CD2 3.65Å; K400-F414 HydrophobicContact CB-CE1 4.28Å; K400-F414 HydrophobicContact CB-CE2 3.38Å; K400-F414 HydrophobicContact CB-CG 4.2Å; K400-F414 HydrophobicContact CB-CZ 3.72Å; K400-F414 HydrophobicContact CD-CD1 3.89Å; K400-F414 HydrophobicContact CD-CE1 3.7Å; K400-F414 HydrophobicContact CD-CE2 4.35Å; K400-F414 HydrophobicContact CD-CG 4.28Å; K400-F414 HydrophobicContact CD-CZ 3.94Å; K400-F414 HydrophobicContact CG-CD1 3.9Å; K400-F414 HydrophobicContact CG-CD2 3.74Å; K400-F414 HydrophobicContact CG-CE1 3.99Å; K400-F414 HydrophobicContact CG-CE2 3.85Å; K400-F414 HydrophobicContact CG-CG 3.75Å; K400-F414 HydrophobicContact CG-CZ 3.95Å
401	S	94.3	Very high	95.4	Very high	61 Å²	61	69.7 Å²	69.7	43%	0.427	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-35.1	178.6	-58.7	0	0	0	0	112.1	C397 H398 F399 R405	C397-S401 PolarHBondContact O-N 3.27Å; H398-S401 VanDerWaalsContact O-CB 3.32Å; H398-S401 WeakPolarHBondContact O-CB 3.31Å; H398-S401 PolarHBondContact O-N 3.33Å; F399-S401 PolarHBondContact O-N 2.62Å; S401-R405 WeakPolarHBondContact O-CB 3.48Å; S401-R405 VanDerWaalsContact O-CG 3.28Å; S401-R405 WeakPolarHBondContact O-CG 3.38Å; S401-R405 PolarHBondContact O-N 2.82Å; S401-R405 VanDerWaalsContact O-N 3.16Å
402	V	94.7	Very high	95.1	Very high	47 Å²	47	74.4 Å²	74.4	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-46.4	173.8	179.8	0	0	0	0	110.6	H398 F399 K400 R405 R406 L463	H398-V402 PolarHBondContact O-N 2.71Å; F399-V402 HydrophobicContact CD2-CB 4.38Å; F399-V402 WeakPolarHBondContact O-CA 3.31Å; F399-V402 WeakPolarHBondContact O-CB 3.43Å; F399-V402 PolarHBondContact O-N 3.47Å; K400-V402 VanDerWaalsContact C-N 3.33Å; K400-V402 PolarHBondContact O-N 2.54Å; V402-R405 PolarHBondContact O-N 3.22Å; V402-R406 PolarHBondContact O-N 2.91Å; V402-R406 VanDerWaalsContact O-N 3.13Å; V402-L463 HydrophobicContact CG1-CD1 4.38Å; V402-L463 HydrophobicContact CG1-CD2 4.38Å
403	I	95.9	Very high	94.9	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-62.1	-50.2	178.5	-61.7	-54.9	0	0	0	111.4	F399 K400 R405 R406 W407 R413 F414 M417 L463	F399-I403 HydrophobicContact CD1-CG1 4.33Å; F399-I403 HydrophobicContact CE1-CD1 4.11Å; F399-I403 HydrophobicContact CE1-CG1 4Å; F399-I403 HydrophobicContact CE2-CD1 3.92Å; F399-I403 HydrophobicContact CE2-CG1 4.23Å; F399-I403 HydrophobicContact CZ-CD1 3.62Å; F399-I403 HydrophobicContact CZ-CG1 3.96Å; F399-I403 PolarHBondContact O-N 2.87Å; K400-I403 PolarHBondContact O-N 2.8Å; I403-R405 VanDerWaalsContact C-N 3.26Å; I403-R405 PolarHBondContact O-N 2.9Å; I403-R406 PolarHBondContact O-N 3.41Å; I403-R406 VanDerWaalsContact O-N 3.07Å; I403-W407 HydrophobicContact CD1-CE3 4.37Å; I403-W407 HydrophobicContact CD1-CZ3 4Å; I403-W407 HydrophobicContact CG2-CE3 4.39Å; I403-W407 PolarHBondContact O-N 3.49Å; I403-R413 HydrophobicContact CG2-CB 4.11Å; I403-R413 HydrophobicContact CG2-CG 4.08Å; I403-F414 HydrophobicContact CG1-CD2 4.49Å; I403-F414 HydrophobicContact CG2-CB 4.12Å; I403-M417 HydrophobicContact CD1-CE 3.84Å; I403-M417 HydrophobicContact CD1-SD 3.56Å; I403-M417 VanDerWaalsContact CD1-SD 3.56Å; I403-M417 HydrophobicContact CG1-SD 4.4Å; I403-L463 HydrophobicContact CD1-CD2 3.69Å
404	N	93.6	Very high	94.8	Very high	74 Å²	74	73.1 Å²	73.1	40%	0.396	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-31.4	-178.5	-72.8	-4.7	0	0	0	112.7	K400 P408	K400-N404 WeakPolarHBondContact O-CB 3.43Å; K400-N404 PolarHBondContact O-N 3.32Å; N404-P408 VanDerWaalsContact O-CA 3.31Å; N404-P408 WeakPolarHBondContact O-CA 3.32Å; N404-P408 WeakPolarHBondContact O-CB 3.47Å
405	R	94.2	Very high	94.6	Very high	218 Å²	218	76 Å²	76	82%	0.823	38%	0.38	S	S	*	.	H	α-helix	trans	-70.9	-38.1	173.4	-77	175.7	179.4	178.7	1.2	112.5	S401 V402 I403	S401-R405 WeakPolarHBondContact O-CB 3.48Å; S401-R405 VanDerWaalsContact O-CG 3.28Å; S401-R405 WeakPolarHBondContact O-CG 3.38Å; S401-R405 PolarHBondContact O-N 2.82Å; S401-R405 VanDerWaalsContact O-N 3.16Å; V402-R405 PolarHBondContact O-N 3.22Å; I403-R405 VanDerWaalsContact C-N 3.26Å; I403-R405 PolarHBondContact O-N 2.9Å
406	R	94.8	Very high	94.5	Very high	147 Å²	147	80.9 Å²	80.9	56%	0.555	40%	0.398	S	S	*	.	H	α-helix	trans	-77.3	-40.6	-178	-176.8	67.9	175.6	115.5	-1.7	112.5	V402 I403 L463	V402-R406 PolarHBondContact O-N 2.91Å; V402-R406 VanDerWaalsContact O-N 3.13Å; I403-R406 PolarHBondContact O-N 3.41Å; I403-R406 VanDerWaalsContact O-N 3.07Å; R406-L463 HydrophobicContact CB-CD1 4.13Å; R406-L463 HydrophobicContact CG-CD1 3.88Å
407	W	95.5	Very high	94.4	Very high	53 Å²	53	80.4 Å²	80.4	20%	0.201	40%	0.396	C	S	.	.			trans	-136	70.2	-176	-60.6	-71.7	0	0	0	111.5	I403 S409 D410 R413 M417 D462 L463	I403-W407 HydrophobicContact CD1-CE3 4.37Å; I403-W407 HydrophobicContact CD1-CZ3 4Å; I403-W407 HydrophobicContact CG2-CE3 4.39Å; I403-W407 PolarHBondContact O-N 3.49Å; W407-S409 PolarHBondContact O-N 3.5Å; W407-D410 HydrophobicContact CB-CB 4.25Å; W407-D410 PolarHBondContact O-N 2.92Å; W407-R413 VanDerWaalsContact CD2-CD 3.46Å; W407-R413 HydrophobicContact CE3-CG 4.29Å; W407-R413 VanDerWaalsContact CZ3-CD 3.48Å; W407-M417 HydrophobicContact CZ3-SD 4.5Å; W407-D462 HydrophobicContact CH2-CB 4.14Å; W407-D462 HydrophobicContact CZ2-CB 3.96Å; W407-L463 HydrophobicContact CH2-CB 3.63Å; W407-L463 HydrophobicContact CH2-CD1 3.95Å; W407-L463 HydrophobicContact CH2-CG 4.35Å; W407-L463 HydrophobicContact CZ3-CB 3.97Å; W407-L463 HydrophobicContact CZ3-CD1 3.74Å; W407-L463 HydrophobicContact CZ3-CG 4.31Å
408	P	92.8	Very high	94.5	Very high	97 Å²	97	77 Å²	77	63%	0.63	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.7	-178.7	24.6	-34.6	0	0	0	113.8	N404	N404-P408 VanDerWaalsContact O-CA 3.31Å; N404-P408 WeakPolarHBondContact O-CA 3.32Å; N404-P408 WeakPolarHBondContact O-CB 3.47Å
409	S	93.7	Very high	94.6	Very high	117 Å²	117	72.9 Å²	72.9	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-8.4	-177.9	-49	0	0	0	0	115	W407	W407-S409 PolarHBondContact O-N 3.5Å
410	D	94.1	Very high	94.7	Very high	44 Å²	44	74.9 Å²	74.9	24%	0.235	36%	0.363	C	S	.	.			trans	-104.3	77.2	177.8	-172.7	-8.7	0	0	0	109.4	W407 N412 R413 R416	W407-D410 HydrophobicContact CB-CB 4.25Å; W407-D410 PolarHBondContact O-N 2.92Å; D410-N412 PolarHBondContact O-N 3.3Å; D410-N412 VanDerWaalsContact O-N 3.1Å; D410-R413 HydrophobicContact CB-CB 4.05Å; D410-R413 WeakPolarHBondContact O-CB 3.37Å; D410-R413 PolarHBondContact O-N 2.82Å; D410-R413 PolarHBondContact OD1-N 3.15Å; D410-R413 IonicContact OD2-CZ 3.83Å; D410-R413 IonicContact OD2-NE 2.82Å; D410-R413 PolarHBondContact OD2-NE 3.24Å; D410-R413 IonicContact OD2-NH2 3.66Å; D410-R413 PolarHBondContact OD2-NH2 3.06Å; D410-R416 IonicContact OD1-NH1 3.7Å; D410-R416 PolarHBondContact OD1-NH1 3.01Å; D410-R416 IonicContact OD1-NH2 3.02Å; D410-R416 IonicContact OD2-CZ 3.71Å; D410-R416 IonicContact OD2-NH1 3.34Å; D410-R416 IonicContact OD2-NH2 3.94Å; D410-R416 PolarHBondContact OD2-NH2 3.08Å
411	E	87.1	Confident	94.7	Very high	173 Å²	173	72.5 Å²	72.5	81%	0.808	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.8	-173.7	-62.9	-175.8	170.1	0	0	113.3
412	N	93.2	Very high	94.6	Very high	98 Å²	98	77.3 Å²	77.3	52%	0.524	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.7	-178	-66.9	-36.7	0	0	0	113.5	D410 F414 Q415 R416	D410-N412 PolarHBondContact O-N 3.3Å; D410-N412 VanDerWaalsContact O-N 3.1Å; N412-F414 VanDerWaalsContact C-N 3.33Å; N412-F414 PolarHBondContact O-N 2.84Å; N412-Q415 WeakPolarHBondContact O-CB 3.39Å; N412-Q415 PolarHBondContact O-N 2.92Å; N412-R416 PolarHBondContact O-N 3.01Å
413	R	94.6	Very high	94.2	Very high	28 Å²	28	78.4 Å²	78.4	11%	0.106	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-41.9	-176.7	-172.4	164.7	-73.3	-95.7	-13.1	112.5	I403 W407 D410 Q415 R416 M417 D459 D462	I403-R413 HydrophobicContact CG2-CB 4.11Å; I403-R413 HydrophobicContact CG2-CG 4.08Å; W407-R413 VanDerWaalsContact CD2-CD 3.46Å; W407-R413 HydrophobicContact CE3-CG 4.29Å; W407-R413 VanDerWaalsContact CZ3-CD 3.48Å; D410-R413 HydrophobicContact CB-CB 4.05Å; D410-R413 WeakPolarHBondContact O-CB 3.37Å; D410-R413 PolarHBondContact O-N 2.82Å; D410-R413 PolarHBondContact OD1-N 3.15Å; D410-R413 IonicContact OD2-CZ 3.83Å; D410-R413 IonicContact OD2-NE 2.82Å; D410-R413 PolarHBondContact OD2-NE 3.24Å; D410-R413 IonicContact OD2-NH2 3.66Å; D410-R413 PolarHBondContact OD2-NH2 3.06Å; R413-Q415 VanDerWaalsContact C-N 3.3Å; R413-Q415 PolarHBondContact O-N 2.97Å; R413-R416 PolarHBondContact O-N 2.82Å; R413-M417 HydrophobicContact CG-CG 4.38Å; R413-M417 HydrophobicContact CG-SD 3.63Å; R413-M417 WeakPolarHBondContact O-CG 3.37Å; R413-M417 PolarHBondContact O-N 3.23Å; R413-M417 VanDerWaalsContact O-N 3.16Å; R413-D459 IonicContact CZ-OD1 2.71Å; R413-D459 VanDerWaalsContact NH1-CG 3.26Å; R413-D459 IonicContact NH1-OD1 2.8Å; R413-D459 PolarHBondContact NH1-OD1 3.45Å; R413-D459 IonicContact NH1-OD2 3.76Å; R413-D459 IonicContact NH2-OD1 3.27Å; R413-D459 PolarHBondContact NH2-OD1 2.74Å; R413-D462 IonicContact NH1-OD2 3.33Å
414	F	95.3	Very high	93.9	Very high	33 Å²	33	86.6 Å²	86.6	15%	0.145	42%	0.416	C	S	.	.	H	α-helix	trans	-59.7	-42	177.2	173	-107.5	0	0	0	111.6	D396 K400 I403 N412 R416 M417 S418	D396-F414 VanDerWaalsContact OD2-CZ 3.32Å; D396-F414 WeakPolarHBondContact OD2-CZ 3.26Å; K400-F414 VanDerWaalsContact CA-CD2 3.49Å; K400-F414 HydrophobicContact CB-CD1 4.5Å; K400-F414 HydrophobicContact CB-CD2 3.65Å; K400-F414 HydrophobicContact CB-CE1 4.28Å; K400-F414 HydrophobicContact CB-CE2 3.38Å; K400-F414 HydrophobicContact CB-CG 4.2Å; K400-F414 HydrophobicContact CB-CZ 3.72Å; K400-F414 HydrophobicContact CD-CD1 3.89Å; K400-F414 HydrophobicContact CD-CE1 3.7Å; K400-F414 HydrophobicContact CD-CE2 4.35Å; K400-F414 HydrophobicContact CD-CG 4.28Å; K400-F414 HydrophobicContact CD-CZ 3.94Å; K400-F414 HydrophobicContact CG-CD1 3.9Å; K400-F414 HydrophobicContact CG-CD2 3.74Å; K400-F414 HydrophobicContact CG-CE1 3.99Å; K400-F414 HydrophobicContact CG-CE2 3.85Å; K400-F414 HydrophobicContact CG-CG 3.75Å; K400-F414 HydrophobicContact CG-CZ 3.95Å; I403-F414 HydrophobicContact CG1-CD2 4.49Å; I403-F414 HydrophobicContact CG2-CB 4.12Å; N412-F414 VanDerWaalsContact C-N 3.33Å; N412-F414 PolarHBondContact O-N 2.84Å; F414-R416 VanDerWaalsContact C-N 3.31Å; F414-R416 PolarHBondContact O-N 3.39Å; F414-M417 CarbonylContact O-C 3.53Å; F414-M417 PolarHBondContact O-N 2.75Å; F414-M417 VanDerWaalsContact O-N 3.1Å; F414-S418 WeakPolarHBondContact O-CB 3.43Å; F414-S418 PolarHBondContact O-N 3.29Å
415	Q	93.9	Very high	93.9	Very high	128 Å²	128	87.7 Å²	87.7	60%	0.598	42%	0.419	S	S	*	.	H	α-helix	trans	-60.5	-41.1	179	-171.4	178.9	9.4	0	0	111.8	N412 R413 M417 Q421	N412-Q415 WeakPolarHBondContact O-CB 3.39Å; N412-Q415 PolarHBondContact O-N 2.92Å; R413-Q415 VanDerWaalsContact C-N 3.3Å; R413-Q415 PolarHBondContact O-N 2.97Å; Q415-M417 VanDerWaalsContact C-N 3.27Å; Q415-M417 PolarHBondContact O-N 2.91Å; Q415-Q421 PolarHBondContact O-NE2 3.28Å
416	R	94.2	Very high	94.1	Very high	105 Å²	105	81 Å²	81	40%	0.396	40%	0.403	S	S	.	.	H	α-helix	trans	-67.6	-26.2	177.3	-61	-170.2	-55.8	-89.8	4.8	113.4	D410 N412 R413 F414 H432 D459	D410-R416 IonicContact OD1-NH1 3.7Å; D410-R416 PolarHBondContact OD1-NH1 3.01Å; D410-R416 IonicContact OD1-NH2 3.02Å; D410-R416 IonicContact OD2-CZ 3.71Å; D410-R416 IonicContact OD2-NH1 3.34Å; D410-R416 IonicContact OD2-NH2 3.94Å; D410-R416 PolarHBondContact OD2-NH2 3.08Å; N412-R416 PolarHBondContact O-N 3.01Å; R413-R416 PolarHBondContact O-N 2.82Å; F414-R416 VanDerWaalsContact C-N 3.31Å; F414-R416 PolarHBondContact O-N 3.39Å; R416-H432 PolarHBondContact O-CE1 3.39Å; R416-D459 IonicContact CZ-OD2 2.75Å; R416-D459 IonicContact NE-OD2 2.88Å; R416-D459 PolarHBondContact NE-OD2 2.72Å; R416-D459 IonicContact NH2-OD1 2.7Å; R416-D459 IonicContact NH2-OD2 3.77Å; R416-D459 PolarHBondContact NH2-OD2 3.39Å
417	M	96.8	Very high	94.2	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-107.1	-7.2	-174.7	-59.2	178.6	76.1	0	0	114	F399 I403 W407 R413 F414 Q415 D459 F460 L463	F399-M417 HydrophobicContact CE1-CB 3.88Å; F399-M417 HydrophobicContact CE1-CE 4.39Å; F399-M417 HydrophobicContact CZ-CB 4.42Å; F399-M417 HydrophobicContact CZ-CE 3.8Å; I403-M417 HydrophobicContact CD1-CE 3.84Å; I403-M417 HydrophobicContact CD1-SD 3.56Å; I403-M417 VanDerWaalsContact CD1-SD 3.56Å; I403-M417 HydrophobicContact CG1-SD 4.4Å; W407-M417 HydrophobicContact CZ3-SD 4.5Å; R413-M417 HydrophobicContact CG-CG 4.38Å; R413-M417 HydrophobicContact CG-SD 3.63Å; R413-M417 WeakPolarHBondContact O-CG 3.37Å; R413-M417 PolarHBondContact O-N 3.23Å; R413-M417 VanDerWaalsContact O-N 3.16Å; F414-M417 CarbonylContact O-C 3.53Å; F414-M417 PolarHBondContact O-N 2.75Å; F414-M417 VanDerWaalsContact O-N 3.1Å; Q415-M417 VanDerWaalsContact C-N 3.27Å; Q415-M417 PolarHBondContact O-N 2.91Å; M417-D459 VanDerWaalsContact CE-C 3.47Å; M417-D459 HydrophobicContact CE-CB 4.15Å; M417-D459 VanDerWaalsContact CE-O 3.31Å; M417-D459 WeakPolarHBondContact CE-O 3.5Å; M417-D459 HydrophobicContact CG-CB 3.73Å; M417-D459 HydrophobicContact SD-CB 3.67Å; M417-F460 HydrophobicContact CB-CE1 4.17Å; M417-F460 HydrophobicContact CB-CE2 4.3Å; M417-F460 HydrophobicContact CB-CZ 3.86Å; M417-F460 HydrophobicContact CE-CB 4.19Å; M417-F460 HydrophobicContact CE-CD1 3.4Å; M417-F460 HydrophobicContact CE-CD2 4.21Å; M417-F460 HydrophobicContact CE-CE1 3.76Å; M417-F460 HydrophobicContact CE-CE2 4.5Å; M417-F460 HydrophobicContact CE-CG 3.66Å; M417-F460 HydrophobicContact CE-CZ 4.3Å; M417-F460 HydrophobicContact CG-CE2 4.42Å; M417-F460 HydrophobicContact CG-CZ 4.4Å; M417-F460 VanDerWaalsContact O-CZ 3.28Å; M417-F460 WeakPolarHBondContact O-CZ 3.31Å; M417-L463 HydrophobicContact CE-CB 4.46Å; M417-L463 HydrophobicContact CE-CD2 4.22Å
418	S	97.6	Very high	94.3	Very high	7 Å²	7	71.8 Å²	71.8	5%	0.049	37%	0.37	C	S	.	.			trans	-61.7	146.3	-176.9	172.6	0	0	0	0	110.6	D396 F414 F420 Q421 H432	D396-S418 VanDerWaalsContact CG-OG 3.32Å; D396-S418 WeakPolarHBondContact OD1-CA 3.18Å; D396-S418 PolarHBondContact OD1-OG 3.08Å; D396-S418 PolarHBondContact OD2-OG 2.96Å; F414-S418 WeakPolarHBondContact O-CB 3.43Å; F414-S418 PolarHBondContact O-N 3.29Å; S418-F420 WeakPolarHBondContact CB-O 3.46Å; S418-F420 PolarHBondContact O-N 2.96Å; S418-F420 PolarHBondContact OG-N 3.21Å; S418-F420 PolarHBondContact OG-O 3.11Å; S418-Q421 PolarHBondContact O-NE2 3.05Å; S418-H432 PolarHBondContact O-ND1 3.11Å
419	I	98.3	Very high	94.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-64.1	-32.1	171.1	-62.3	166.8	0	0	0	110.2	I392 I395 D396 V428 S429 H432 L433 I436	I392-I419 HydrophobicContact CG2-CB 4.34Å; I392-I419 HydrophobicContact CG2-CD1 4.35Å; I392-I419 HydrophobicContact CG2-CG2 3.57Å; I395-I419 HydrophobicContact CB-CD1 4.41Å; I395-I419 HydrophobicContact CG2-CD1 3.78Å; D396-I419 HydrophobicContact CB-CB 4.38Å; D396-I419 HydrophobicContact CB-CD1 4.19Å; D396-I419 PolarHBondContact OD1-N 3.14Å; I419-V428 HydrophobicContact CG2-CG1 3.69Å; I419-V428 CarbonylContact O-C 3.58Å; I419-V428 WeakPolarHBondContact O-CA 3.03Å; I419-S429 PolarHBondContact O-N 3.02Å; I419-H432 HydrophobicContact CG1-CB 4.35Å; I419-L433 HydrophobicContact CD1-CD1 3.95Å; I419-L433 HydrophobicContact CG2-CB 4.27Å; I419-I436 HydrophobicContact CD1-CD1 3.78Å; I419-I436 HydrophobicContact CG1-CD1 3.52Å
420	F	98.1	Very high	94.8	Very high	47 Å²	47	61.6 Å²	61.6	21%	0.206	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.2	176	-61.8	-86.7	0	0	0	109.8	L378 I392 R393 D396 S418 V427 V428	L378-F420 HydrophobicContact CD1-CD1 4.2Å; L378-F420 HydrophobicContact CD1-CE1 3.7Å; L378-F420 HydrophobicContact CD2-CD1 4.22Å; L378-F420 HydrophobicContact CD2-CE1 4.36Å; I392-F420 HydrophobicContact CB-CZ 4.29Å; I392-F420 HydrophobicContact CG2-CE2 3.86Å; I392-F420 HydrophobicContact CG2-CZ 3.65Å; R393-F420 HydrophobicContact CB-CE2 4.4Å; R393-F420 HydrophobicContact CB-CZ 4.3Å; R393-F420 HydrophobicContact CG-CE1 4.23Å; R393-F420 HydrophobicContact CG-CE2 3.86Å; R393-F420 HydrophobicContact CG-CZ 3.42Å; R393-F420 VanDerWaalsContact CG-CZ 3.42Å; D396-F420 HydrophobicContact CB-CD2 4.02Å; D396-F420 HydrophobicContact CB-CE2 3.9Å; S418-F420 WeakPolarHBondContact CB-O 3.46Å; S418-F420 PolarHBondContact O-N 2.96Å; S418-F420 PolarHBondContact OG-N 3.21Å; S418-F420 PolarHBondContact OG-O 3.11Å; F420-V427 WeakPolarHBondContact CA-O 3.46Å; F420-V428 HydrophobicContact CD1-CG2 3.98Å; F420-V428 HydrophobicContact CE1-CG2 3.78Å
421	Q	95.6	Very high	94.9	Very high	45 Å²	45	59.6 Å²	59.6	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.5	-179.1	-65.1	-66.2	-47.3	0	0	109.5	Q415 S418 V427	Q415-Q421 PolarHBondContact O-NE2 3.28Å; S418-Q421 PolarHBondContact O-NE2 3.05Å; Q421-V427 HydrophobicContact CB-CG2 3.92Å; Q421-V427 PolarHBondContact N-O 3.17Å; Q421-V427 WeakPolarHBondContact O-CG2 3.24Å; Q421-V427 PolarHBondContact O-N 3.08Å
422	E	92.4	Very high	95.4	Very high	162 Å²	162	52 Å²	52	76%	0.757	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	106.2	175.8	-167.7	169.7	-177.1	0	0	109
423	I	87.2	Confident	95.6	Very high	69 Å²	69	47.4 Å²	47.4	35%	0.354	23%	0.23	S	C	.	.	S	Bend	trans	-127.5	83.2	-179.3	-54.5	-179.7	0	0	0	107.4	Y375 E425 V427	Y375-I423 HydrophobicContact CD1-CD1 3.75Å; Y375-I423 HydrophobicContact CD2-CD1 3.72Å; Y375-I423 HydrophobicContact CE1-CD1 3.47Å; Y375-I423 VanDerWaalsContact CE1-CD1 3.47Å; Y375-I423 HydrophobicContact CE2-CD1 3.44Å; Y375-I423 VanDerWaalsContact CE2-CD1 3.44Å; Y375-I423 HydrophobicContact CG-CD1 3.87Å; I423-E425 PolarHBondContact N-O 3.16Å; I423-E425 PolarHBondContact O-N 2.67Å; I423-V427 HydrophobicContact CB-CG2 4.25Å; I423-V427 HydrophobicContact CD1-CG2 4.09Å; I423-V427 HydrophobicContact CG1-CG2 3.99Å
424	N	89.1	Confident	95.8	Very high	173 Å²	173	46 Å²	46	93%	0.925	23%	0.225	S	C	*	.	S	Bend	trans	63.9	-32.9	-167.2	-45.7	-60.8	0	0	0	114.6
425	E	94	Very high	95.9	Very high	97 Å²	97	44.5 Å²	44.5	45%	0.453	22%	0.218	S	C	.	.	S	Bend	trans	-138.7	162.8	172.7	64.4	-175.7	159	0	0	110.1	I423 V427	I423-E425 PolarHBondContact N-O 3.16Å; I423-E425 PolarHBondContact O-N 2.67Å; E425-V427 HydrophobicContact CG-CG1 4.02Å; E425-V427 PolarHBondContact O-N 2.96Å
426	P	96.9	Very high	96.1	Very high	76 Å²	76	38.8 Å²	38.8	49%	0.494	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124.7	172.1	-23.3	34.7	0	0	0	111.7	L378	L378-P426 HydrophobicContact CB-CB 4.14Å; L378-P426 WeakPolarHBondContact CB-O 3.2Å; L378-P426 HydrophobicContact CD2-CB 4.18Å; L378-P426 PolarHBondContact N-O 2.83Å
427	V	97.2	Very high	96.3	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.9	-178.5	-62	0	0	0	0	112.1	Y375 W376 F420 Q421 I423 E425	Y375-V427 HydrophobicContact CD1-CB 4.48Å; Y375-V427 HydrophobicContact CD1-CG2 3.73Å; Y375-V427 HydrophobicContact CG-CG2 4.11Å; W376-V427 CarbonylContact O-C 3.51Å; W376-V427 VanDerWaalsContact O-CA 3.27Å; W376-V427 WeakPolarHBondContact O-CA 3.26Å; F420-V427 WeakPolarHBondContact CA-O 3.46Å; Q421-V427 HydrophobicContact CB-CG2 3.92Å; Q421-V427 PolarHBondContact N-O 3.17Å; Q421-V427 WeakPolarHBondContact O-CG2 3.24Å; Q421-V427 PolarHBondContact O-N 3.08Å; I423-V427 HydrophobicContact CB-CG2 4.25Å; I423-V427 HydrophobicContact CD1-CG2 4.09Å; I423-V427 HydrophobicContact CG1-CG2 3.99Å; E425-V427 HydrophobicContact CG-CG1 4.02Å; E425-V427 PolarHBondContact O-N 2.96Å
428	V	98.2	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.7	172.4	177.1	0	0	0	0	108.7	Y375 W376 L378 L381 I392 I419 F420 M430	Y375-V428 WeakPolarHBondContact CA-O 3.44Å; W376-V428 PolarHBondContact N-O 3.45Å; W376-V428 VanDerWaalsContact N-O 3.09Å; W376-V428 PolarHBondContact O-N 3.28Å; L378-V428 HydrophobicContact CD1-CG2 3.92Å; L381-V428 HydrophobicContact CD2-CB 4.11Å; L381-V428 HydrophobicContact CD2-CG1 4.17Å; L381-V428 HydrophobicContact CD2-CG2 3.83Å; I392-V428 HydrophobicContact CD1-CG1 4.4Å; I392-V428 HydrophobicContact CG2-CG1 4.33Å; I419-V428 HydrophobicContact CG2-CG1 3.69Å; I419-V428 CarbonylContact O-C 3.58Å; I419-V428 WeakPolarHBondContact O-CA 3.03Å; F420-V428 HydrophobicContact CD1-CG2 3.98Å; F420-V428 HydrophobicContact CE1-CG2 3.78Å; V428-M430 HydrophobicContact CG1-SD 3.88Å; V428-M430 PolarHBondContact O-N 2.91Å
429	S	97.8	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	114	174.9	178.3	0	0	0	0	110.8	I419 H432 L433	I419-S429 PolarHBondContact O-N 3.02Å; S429-H432 PolarHBondContact OG-CD2 3.32Å; S429-H432 PolarHBondContact OG-N 3Å; S429-L433 PolarHBondContact O-N 3.5Å; S429-L433 VanDerWaalsContact O-N 3.14Å
430	M	98.1	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-75.8	-30.6	-179.6	-55.1	-48.4	-67.5	0	0	111.8	T329 A332 L333 K374 W376 V428 L433 C434	T329-M430 HydrophobicContact CG2-CB 4.39Å; A332-M430 HydrophobicContact CB-CB 4.07Å; A332-M430 HydrophobicContact CB-CE 3.54Å; L333-M430 HydrophobicContact CD2-CE 3.87Å; L333-M430 HydrophobicContact CG-CE 3.93Å; K374-M430 HydrophobicContact CB-CB 4.25Å; K374-M430 HydrophobicContact CB-CG 4.49Å; K374-M430 HydrophobicContact CD-CB 4.46Å; K374-M430 HydrophobicContact CD-CG 4.3Å; K374-M430 HydrophobicContact CG-CB 4.4Å; K374-M430 HydrophobicContact CG-CG 4.15Å; K374-M430 PolarHBondContact O-N 3.48Å; W376-M430 VanDerWaalsContact CD1-SD 3.56Å; V428-M430 HydrophobicContact CG1-SD 3.88Å; V428-M430 PolarHBondContact O-N 2.91Å; M430-L433 HydrophobicContact CE-CD2 3.7Å; M430-L433 PolarHBondContact O-N 2.9Å; M430-L433 HydrophobicContact SD-CD2 4.5Å; M430-C434 WeakPolarHBondContact O-CB 3.43Å; M430-C434 PolarHBondContact O-N 3.08Å
431	D	96.8	Very high	96.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-47.6	171.5	-66.6	-93.6	0	0	0	111.4	T329 N365 L373 K374 L433 C434 I435 F457	T329-D431 HydrophobicContact CG2-CB 4.23Å; T329-D431 VanDerWaalsContact CG2-CG 3.46Å; T329-D431 WeakPolarHBondContact CG2-OD1 3.49Å; N365-D431 PolarHBondContact ND2-OD1 3.2Å; L373-D431 HydrophobicContact CD2-CB 4.3Å; L373-D431 WeakPolarHBondContact CD2-OD1 3.49Å; K374-D431 PolarHBondContact N-OD2 3.03Å; D431-L433 PolarHBondContact O-N 2.97Å; D431-C434 WeakPolarHBondContact O-CB 3.32Å; D431-C434 PolarHBondContact O-N 3.15Å; D431-I435 VanDerWaalsContact O-CG1 3.27Å; D431-I435 WeakPolarHBondContact O-CG1 3.27Å; D431-I435 PolarHBondContact O-N 3.24Å; D431-F457 HydrophobicContact CB-CE1 4.14Å; D431-F457 HydrophobicContact CB-CZ 3.84Å
432	H	97.7	Very high	96.3	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.069	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-42.6	177.5	-67.4	-172.4	0	0	0	111.3	R416 S418 I419 S429 C434 I435 I436 F460	R416-H432 PolarHBondContact O-CE1 3.39Å; S418-H432 PolarHBondContact O-ND1 3.11Å; I419-H432 HydrophobicContact CG1-CB 4.35Å; S429-H432 PolarHBondContact OG-CD2 3.32Å; S429-H432 PolarHBondContact OG-N 3Å; H432-C434 PolarHBondContact O-N 3.19Å; H432-I435 PolarHBondContact O-N 3.23Å; H432-I436 WeakPolarHBondContact O-CB 3.4Å; H432-I436 WeakPolarHBondContact O-CD1 3.45Å; H432-I436 VanDerWaalsContact O-CG1 3.29Å; H432-I436 WeakPolarHBondContact O-CG1 3.28Å; H432-I436 PolarHBondContact O-N 3.14Å; H432-F460 HydrophobicContact CB-CZ 4Å; H432-F460 AromaticContact CD2-CE2 3.57Å; H432-F460 AromaticContact CD2-CZ 3.8Å; H432-F460 AromaticContact CG-CE2 3.93Å; H432-F460 AromaticContact CG-CZ 3.68Å; H432-F460 AromaticContact NE2-CE2 3.68Å
433	L	98.4	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.7	-47	174.6	179	63.7	0	0	0	111.5	I335 P336 I392 I395 I419 S429 M430 D431 I436 G437	I335-L433 HydrophobicContact CD1-CG 4.33Å; I335-L433 HydrophobicContact CG2-CD1 4.16Å; P336-L433 HydrophobicContact CG-CD2 4.31Å; I392-L433 HydrophobicContact CD1-CD2 4.38Å; I392-L433 HydrophobicContact CG1-CD1 4.44Å; I392-L433 HydrophobicContact CG1-CD2 4.45Å; I395-L433 HydrophobicContact CD1-CD1 4.38Å; I419-L433 HydrophobicContact CD1-CD1 3.95Å; I419-L433 HydrophobicContact CG2-CB 4.27Å; S429-L433 PolarHBondContact O-N 3.5Å; S429-L433 VanDerWaalsContact O-N 3.14Å; M430-L433 HydrophobicContact CE-CD2 3.7Å; M430-L433 PolarHBondContact O-N 2.9Å; M430-L433 HydrophobicContact SD-CD2 4.5Å; D431-L433 PolarHBondContact O-N 2.97Å; L433-I436 PolarHBondContact O-N 3.48Å; L433-G437 PolarHBondContact O-N 3.44Å
434	C	98.1	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-46.1	176.1	-84.4	0	0	0	0	112.6	A332 H363 M430 D431 H432 S438	A332-C434 WeakPolarHBondContact CB-SG 3.45Å; H363-C434 HydrophobicContact CB-CB 4.22Å; M430-C434 WeakPolarHBondContact O-CB 3.43Å; M430-C434 PolarHBondContact O-N 3.08Å; D431-C434 WeakPolarHBondContact O-CB 3.32Å; D431-C434 PolarHBondContact O-N 3.15Å; H432-C434 PolarHBondContact O-N 3.19Å; C434-S438 WeakPolarHBondContact O-CB 3.29Å; C434-S438 PolarHBondContact O-N 3.42Å; C434-S438 PolarHBondContact O-OG 2.95Å
435	I	97.7	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-42.3	-178.8	-66.4	162.7	0	0	0	111	D431 H432 V441 F457 F460 K467 F468	D431-I435 VanDerWaalsContact O-CG1 3.27Å; D431-I435 WeakPolarHBondContact O-CG1 3.27Å; D431-I435 PolarHBondContact O-N 3.24Å; H432-I435 PolarHBondContact O-N 3.23Å; I435-V441 HydrophobicContact CB-CG2 4.37Å; I435-V441 HydrophobicContact CG1-CG1 4.48Å; I435-V441 HydrophobicContact CG1-CG2 4.11Å; I435-V441 HydrophobicContact CG2-CG2 4.43Å; I435-F457 HydrophobicContact CD1-CB 4.2Å; I435-F457 HydrophobicContact CD1-CD1 3.58Å; I435-F457 HydrophobicContact CD1-CD2 3.77Å; I435-F457 HydrophobicContact CD1-CE1 3.8Å; I435-F457 HydrophobicContact CD1-CE2 3.95Å; I435-F457 HydrophobicContact CD1-CG 3.58Å; I435-F457 HydrophobicContact CD1-CZ 3.97Å; I435-F460 HydrophobicContact CB-CD1 4.37Å; I435-F460 HydrophobicContact CD1-CD2 4.19Å; I435-F460 HydrophobicContact CD1-CE2 4.44Å; I435-F460 HydrophobicContact CD1-CG 4.41Å; I435-F460 HydrophobicContact CG2-CB 3.87Å; I435-F460 HydrophobicContact CG2-CD1 3.52Å; I435-F460 HydrophobicContact CG2-CE1 4.15Å; I435-F460 HydrophobicContact CG2-CG 3.75Å; I435-K467 PolarHBondContact O-NZ 3.14Å; I435-F468 HydrophobicContact CG2-CZ 4.04Å
436	I	97.9	Very high	97.2	Very high	8 Å²	8	12.8 Å²	12.8	4%	0.041	7%	0.068	C	C	.	.	H	α-helix	trans	-69.1	-46	179.7	-67.7	162.8	0	0	0	110.6	W354 I395 F399 I419 H432 L433 F460	W354-I436 HydrophobicContact CH2-CG2 4.1Å; W354-I436 HydrophobicContact CZ2-CG2 3.94Å; I395-I436 HydrophobicContact CG2-CG2 3.88Å; F399-I436 HydrophobicContact CD1-CD1 3.45Å; F399-I436 VanDerWaalsContact CD1-CD1 3.45Å; F399-I436 HydrophobicContact CD1-CG1 4.1Å; F399-I436 HydrophobicContact CD2-CD1 4.37Å; F399-I436 HydrophobicContact CD2-CG1 4.19Å; F399-I436 HydrophobicContact CD2-CG2 4.34Å; F399-I436 HydrophobicContact CE1-CD1 3.58Å; F399-I436 HydrophobicContact CE1-CG1 3.98Å; F399-I436 HydrophobicContact CE2-CD1 4.49Å; F399-I436 HydrophobicContact CE2-CG1 4.1Å; F399-I436 HydrophobicContact CG-CD1 3.86Å; F399-I436 HydrophobicContact CG-CG1 4.18Å; F399-I436 HydrophobicContact CG-CG2 4.4Å; F399-I436 HydrophobicContact CZ-CD1 4.1Å; F399-I436 HydrophobicContact CZ-CG1 3.96Å; I419-I436 HydrophobicContact CD1-CD1 3.78Å; I419-I436 HydrophobicContact CG1-CD1 3.52Å; H432-I436 WeakPolarHBondContact O-CB 3.4Å; H432-I436 WeakPolarHBondContact O-CD1 3.45Å; H432-I436 VanDerWaalsContact O-CG1 3.29Å; H432-I436 WeakPolarHBondContact O-CG1 3.28Å; H432-I436 PolarHBondContact O-N 3.14Å; L433-I436 PolarHBondContact O-N 3.48Å; I436-F460 HydrophobicContact CD1-CE1 4.17Å; I436-F460 HydrophobicContact CG1-CE1 3.91Å
437	G	97.7	Very high	96.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-83.7	-5.2	-175.2	0	0	0	0	0	116.4	L433	L433-G437 PolarHBondContact O-N 3.44Å
438	S	97.6	Very high	96.7	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.007	5%	0.053	C	C	.	.			trans	-108.8	143.6	178.8	-52.8	0	0	0	0	112.1	F361 C434 K467	F361-S438 CarbonylContact O-C 3.53Å; F361-S438 VanDerWaalsContact O-CA 3.27Å; F361-S438 WeakPolarHBondContact O-CA 3.47Å; F361-S438 WeakPolarHBondContact O-CB 3.33Å; C434-S438 WeakPolarHBondContact O-CB 3.29Å; C434-S438 PolarHBondContact O-N 3.42Å; C434-S438 PolarHBondContact O-OG 2.95Å; S438-K467 WeakPolarHBondContact O-CD 3.25Å; S438-K467 WeakPolarHBondContact O-CE 3.49Å; S438-K467 PolarHBondContact O-NZ 3.02Å
439	H	96	Very high	96.6	Very high	53 Å²	53	11.6 Å²	11.6	25%	0.245	6%	0.056	C	C	.	.	S	Bend	trans	-82.5	-20	175.2	59.2	-80.5	0	0	0	113.5	S358 R359 F361 T362	S358-H439 VanDerWaalsContact O-CB 3.28Å; S358-H439 WeakPolarHBondContact O-CB 3.45Å; S358-H439 PolarHBondContact O-N 3.27Å; S358-H439 PolarHBondContact O-ND1 3.26Å; S358-H439 VanDerWaalsContact O-ND1 3.13Å; R359-H439 PolarHBondContact O-CE1 2.96Å; R359-H439 PolarHBondContact O-ND1 3.41Å; F361-H439 PolarHBondContact O-CE1 3.44Å; F361-H439 PolarHBondContact O-N 2.93Å; F361-H439 PolarHBondContact O-ND1 2.83Å; T362-H439 WeakPolarHBondContact CG2-CE1 3.4Å; T362-H439 VanDerWaalsContact CG2-NE2 3.32Å; T362-H439 WeakPolarHBondContact CG2-NE2 3.34Å
440	F	97.4	Very high	96.4	Very high	33 Å²	33	15.6 Å²	15.6	15%	0.145	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.6	168.8	-74.7	-68.6	0	0	0	111.3	T362 H363 T469 I814	T362-F440 HydrophobicContact CG2-CB 4.13Å; T362-F440 HydrophobicContact CG2-CD2 4.39Å; H363-F440 PolarHBondContact N-O 3Å; F440-T469 HydrophobicContact CD1-CG2 4.15Å; F440-T469 HydrophobicContact CE1-CG2 4.4Å; F440-I814 HydrophobicContact CB-CG1 4.42Å; F440-I814 HydrophobicContact CB-CG2 3.92Å; F440-I814 HydrophobicContact CD2-CB 4.29Å; F440-I814 HydrophobicContact CD2-CG1 4.46Å; F440-I814 HydrophobicContact CD2-CG2 3.92Å; F440-I814 HydrophobicContact CG-CG1 4.28Å; F440-I814 HydrophobicContact CG-CG2 4.15Å
441	V	97.5	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.1	171	177.6	0	0	0	0	107.7	H363 I435 K467 F468 T469	H363-V441 CarbonylContact O-C 3.53Å; H363-V441 VanDerWaalsContact O-CA 3.26Å; H363-V441 WeakPolarHBondContact O-CA 3.35Å; I435-V441 HydrophobicContact CB-CG2 4.37Å; I435-V441 HydrophobicContact CG1-CG1 4.48Å; I435-V441 HydrophobicContact CG1-CG2 4.11Å; I435-V441 HydrophobicContact CG2-CG2 4.43Å; V441-K467 HydrophobicContact CB-CG 4.38Å; V441-K467 HydrophobicContact CG2-CD 4.11Å; V441-K467 HydrophobicContact CG2-CG 4.04Å; V441-K467 PolarHBondContact N-O 3.27Å; V441-F468 HydrophobicContact CB-CD1 4.25Å; V441-F468 HydrophobicContact CB-CE1 4.27Å; V441-F468 HydrophobicContact CG1-CD1 4.05Å; V441-F468 HydrophobicContact CG1-CE1 3.9Å; V441-F468 CarbonylContact O-C 3.06Å; V441-F468 VanDerWaalsContact O-CA 3.29Å; V441-F468 WeakPolarHBondContact O-CA 3.33Å; V441-T469 PolarHBondContact O-N 3.49Å
442	N	97.8	Very high	95.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.6	176.2	69.1	-92.4	0	0	0	114.2	H363 T364 N365 T469 K471 Y810 I814	H363-N442 PolarHBondContact O-N 3.43Å; H363-N442 PolarHBondContact O-OD1 3.32Å; T364-N442 WeakPolarHBondContact CG2-ND2 3.23Å; T364-N442 PolarHBondContact OG1-ND2 3.36Å; T364-N442 VanDerWaalsContact OG1-ND2 3.16Å; T364-N442 PolarHBondContact OG1-OD1 2.86Å; T364-N442 VanDerWaalsContact OG1-OD1 3.05Å; N365-N442 PolarHBondContact N-O 3.11Å; N442-T469 WeakPolarHBondContact CA-O 3.49Å; N442-T469 VanDerWaalsContact CB-O 3.25Å; N442-T469 WeakPolarHBondContact CB-O 3.31Å; N442-T469 WeakPolarHBondContact CB-OG1 3.26Å; N442-K471 HydrophobicContact CB-CG 4.39Å; N442-Y810 PolarHBondContact ND2-OH 3.28Å; N442-Y810 WeakPolarHBondContact OD1-CE1 3.49Å; N442-I814 HydrophobicContact CB-CD1 4.3Å
443	G	97	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	176.2	163.1	0	0	0	0	0	112.3	T449 T469 K471	G443-T449 WeakPolarHBondContact CA-OG1 3.41Å; G443-T469 PolarHBondContact N-O 3.15Å; G443-T469 VanDerWaalsContact N-O 3.12Å; G443-K471 PolarHBondContact O-N 3.01Å; G443-K471 VanDerWaalsContact O-N 3.08Å
444	V	97.1	Very high	95.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.123	C	C	.	.	S	Bend	trans	-115.1	-0.1	-172.1	-66.2	0	0	0	0	114.6	T364 T472 N473 A663 S664	T364-V444 HydrophobicContact CG2-CG1 3.47Å; T364-V444 VanDerWaalsContact CG2-CG1 3.47Å; V444-T472 WeakPolarHBondContact O-CA 3.49Å; V444-N473 PolarHBondContact O-N 3.39Å; V444-A663 HydrophobicContact CG2-CB 3.73Å; V444-S664 WeakPolarHBondContact O-CB 3.45Å
445	S	95.8	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-151.8	161.5	165.1	71.1	0	0	0	0	109	F447 Q448 T449 N470 A663 E688	S445-F447 VanDerWaalsContact C-N 3.27Å; S445-F447 PolarHBondContact O-N 2.81Å; S445-Q448 PolarHBondContact O-N 2.91Å; S445-Q448 WeakPolarHBondContact OG-CB 3.37Å; S445-Q448 PolarHBondContact OG-N 3.34Å; S445-Q448 VanDerWaalsContact OG-N 3.08Å; S445-T449 WeakPolarHBondContact O-CB 3.25Å; S445-T449 PolarHBondContact O-N 3.4Å; S445-T449 PolarHBondContact O-OG1 3.43Å; S445-N470 PolarHBondContact O-OD1 3.42Å; S445-A663 VanDerWaalsContact CB-O 3.27Å; S445-A663 WeakPolarHBondContact CB-O 3.37Å; S445-A663 PolarHBondContact OG-O 3.19Å; S445-E688 WeakPolarHBondContact CB-OE2 3.38Å
446	I	93.1	Very high	95	Very high	72 Å²	72	30.4 Å²	30.4	37%	0.369	16%	0.157	S	C	.	.	H	α-helix	trans	-59.9	-43.4	177	-64.3	171.4	0	0	0	110.4	T449 N450 N470 E688	I446-T449 PolarHBondContact O-N 3.18Å; I446-N450 PolarHBondContact O-N 3.3Å; I446-N450 PolarHBondContact O-ND2 3.03Å; I446-N470 WeakPolarHBondContact CG1-ND2 3.36Å; I446-N470 PolarHBondContact N-OD1 3.48Å; I446-E688 HydrophobicContact CD1-CG 4.36Å; I446-E688 PolarHBondContact N-OE2 3.42Å
447	F	90.1	Very high	94.9	Very high	50 Å²	50	30.1 Å²	30.1	22%	0.219	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-50	179.8	177.2	-98.4	0	0	0	112	S445 N450 H451 I687 I705	S445-F447 VanDerWaalsContact C-N 3.27Å; S445-F447 PolarHBondContact O-N 2.81Å; F447-N450 PolarHBondContact O-N 3.39Å; F447-H451 PolarHBondContact O-N 3.02Å; F447-I687 HydrophobicContact CB-CD1 3.66Å; F447-I687 HydrophobicContact CD1-CD1 4.38Å; F447-I687 HydrophobicContact CD2-CD1 3.51Å; F447-I687 HydrophobicContact CE2-CD1 4.24Å; F447-I687 HydrophobicContact CG-CD1 3.59Å; F447-I705 HydrophobicContact CZ-CG1 4.38Å
448	Q	93.6	Very high	94.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-41	179.2	-177.6	-121	14.2	0	0	111.4	N365 V367 S368 S445 N450 H451 L452 A663	N365-Q448 PolarHBondContact O-NE2 3.32Å; N365-Q448 PolarHBondContact OD1-NE2 3.2Å; V367-Q448 PolarHBondContact O-NE2 2.96Å; S368-Q448 WeakPolarHBondContact OG-CG 3.45Å; S445-Q448 PolarHBondContact O-N 2.91Å; S445-Q448 WeakPolarHBondContact OG-CB 3.37Å; S445-Q448 PolarHBondContact OG-N 3.34Å; S445-Q448 VanDerWaalsContact OG-N 3.08Å; Q448-N450 VanDerWaalsContact C-N 3.3Å; Q448-N450 PolarHBondContact O-N 2.92Å; Q448-H451 CarbonylContact O-C 3.6Å; Q448-H451 WeakPolarHBondContact O-CA 3.2Å; Q448-H451 WeakPolarHBondContact O-CB 3.35Å; Q448-H451 PolarHBondContact O-N 2.86Å; Q448-L452 HydrophobicContact CG-CD1 4.48Å; Q448-L452 HydrophobicContact CG-CG 4.43Å; Q448-L452 WeakPolarHBondContact O-CG 3.42Å; Q448-L452 PolarHBondContact O-N 2.88Å; Q448-A663 HydrophobicContact CB-CB 4.29Å; Q448-A663 WeakPolarHBondContact CB-O 3.39Å; Q448-A663 HydrophobicContact CG-CB 3.81Å
449	T	94.9	Very high	94.8	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-58	-44	176.1	-56.7	0	0	0	0	111.5	G443 S445 I446 H451 L452 I453 T469 N470	G443-T449 WeakPolarHBondContact CA-OG1 3.41Å; S445-T449 WeakPolarHBondContact O-CB 3.25Å; S445-T449 PolarHBondContact O-N 3.4Å; S445-T449 PolarHBondContact O-OG1 3.43Å; I446-T449 PolarHBondContact O-N 3.18Å; T449-H451 VanDerWaalsContact C-N 3.3Å; T449-H451 PolarHBondContact O-N 2.78Å; T449-L452 WeakPolarHBondContact O-CB 3.1Å; T449-L452 PolarHBondContact O-N 3.35Å; T449-I453 HydrophobicContact CG2-CD1 3.88Å; T449-I453 WeakPolarHBondContact O-CG1 3.49Å; T449-I453 PolarHBondContact O-N 2.79Å; T449-T469 WeakPolarHBondContact CG2-O 3.26Å; T449-N470 HydrophobicContact CG2-CB 4Å; T449-N470 WeakPolarHBondContact OG1-CB 3.47Å; T449-N470 PolarHBondContact OG1-OD1 3.31Å
450	N	93.7	Very high	94.8	Very high	83 Å²	83	33.5 Å²	33.5	44%	0.444	17%	0.171	S	C	.	.	H	α-helix	trans	-63.2	-37	175.4	-73.5	-20.5	0	0	0	112.2	I446 F447 Q448 N454	I446-N450 PolarHBondContact O-N 3.3Å; I446-N450 PolarHBondContact O-ND2 3.03Å; F447-N450 PolarHBondContact O-N 3.39Å; Q448-N450 VanDerWaalsContact C-N 3.3Å; Q448-N450 PolarHBondContact O-N 2.92Å; N450-N454 WeakPolarHBondContact O-CB 3.32Å; N450-N454 PolarHBondContact O-N 3.4Å; N450-N454 PolarHBondContact O-ND2 3Å
451	H	91.4	Very high	94.8	Very high	54 Å²	54	32.2 Å²	32.2	25%	0.25	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-41.1	174.9	-172.5	69.6	0	0	0	112.3	S368 F447 Q448 T449 I453 V455 L456	S368-H451 PolarHBondContact O-CD2 3.41Å; S368-H451 PolarHBondContact O-NE2 3.35Å; F447-H451 PolarHBondContact O-N 3.02Å; Q448-H451 CarbonylContact O-C 3.6Å; Q448-H451 WeakPolarHBondContact O-CA 3.2Å; Q448-H451 WeakPolarHBondContact O-CB 3.35Å; Q448-H451 PolarHBondContact O-N 2.86Å; T449-H451 VanDerWaalsContact C-N 3.3Å; T449-H451 PolarHBondContact O-N 2.78Å; H451-I453 PolarHBondContact O-N 3.49Å; H451-V455 WeakPolarHBondContact O-CA 3.44Å; H451-V455 WeakPolarHBondContact O-CB 3.39Å; H451-V455 PolarHBondContact O-N 3.16Å; H451-L456 WeakPolarHBondContact NE2-CG 3.03Å; H451-L456 PolarHBondContact O-N 2.87Å; H451-L456 VanDerWaalsContact O-N 3.13Å
452	L	93.5	Very high	94.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.181	C	C	.	.	I	π-helix	trans	-59.4	-47.1	174.6	-65.6	172.9	0	0	0	111.2	N365 Q448 T449 L456 F457	N365-L452 HydrophobicContact CB-CD1 4.11Å; Q448-L452 HydrophobicContact CG-CD1 4.48Å; Q448-L452 HydrophobicContact CG-CG 4.43Å; Q448-L452 WeakPolarHBondContact O-CG 3.42Å; Q448-L452 PolarHBondContact O-N 2.88Å; T449-L452 WeakPolarHBondContact O-CB 3.1Å; T449-L452 PolarHBondContact O-N 3.35Å; L452-L456 HydrophobicContact CD2-CB 4.46Å; L452-L456 HydrophobicContact CD2-CD1 3.92Å; L452-F457 HydrophobicContact CB-CD2 4.29Å; L452-F457 HydrophobicContact CD2-CD2 3.7Å; L452-F457 HydrophobicContact CD2-CE2 3.58Å; L452-F457 CarbonylContact O-C 3.57Å; L452-F457 WeakPolarHBondContact O-CA 3.43Å; L452-F457 PolarHBondContact O-N 3.4Å
453	I	95.4	Very high	94.7	Very high	47 Å²	47	35.9 Å²	35.9	24%	0.241	19%	0.186	C	C	.	.	I	π-helix	trans	-70.5	-41.3	-176.7	-69.5	169.7	0	0	0	112.2	T449 H451 K458 A461 F468	T449-I453 HydrophobicContact CG2-CD1 3.88Å; T449-I453 WeakPolarHBondContact O-CG1 3.49Å; T449-I453 PolarHBondContact O-N 2.79Å; H451-I453 PolarHBondContact O-N 3.49Å; I453-K458 VanDerWaalsContact O-CA 3.27Å; I453-K458 WeakPolarHBondContact O-CA 3.27Å; I453-A461 HydrophobicContact CB-CB 4.38Å; I453-A461 HydrophobicContact CG1-CB 4.49Å; I453-A461 HydrophobicContact CG2-CB 3.99Å; I453-F468 HydrophobicContact CD1-CB 3.92Å; I453-F468 HydrophobicContact CG1-CB 3.77Å; I453-F468 HydrophobicContact CG1-CD1 4.27Å; I453-F468 HydrophobicContact CG1-CG 4.16Å
454	N	94.2	Very high	94.7	Very high	104 Å²	104	39.2 Å²	39.2	56%	0.556	20%	0.198	S	C	*	.	I	π-helix	trans	-97.8	-17.6	-170	-63.1	-60.9	0	0	0	113.9	N450	N450-N454 WeakPolarHBondContact O-CB 3.32Å; N450-N454 PolarHBondContact O-N 3.4Å; N450-N454 PolarHBondContact O-ND2 3Å
455	V	91.4	Very high	94.5	Very high	90 Å²	90	43.7 Å²	43.7	55%	0.545	23%	0.228	S	C	.	.	I	π-helix	trans	-126.4	-69	-173.5	-171.8	0	0	0	0	111.6	H451	H451-V455 WeakPolarHBondContact O-CA 3.44Å; H451-V455 WeakPolarHBondContact O-CB 3.39Å; H451-V455 PolarHBondContact O-N 3.16Å
456	L	92	Very high	94.5	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.162	26%	0.261	C	S	.	.	I	π-helix	trans	-70.1	-46	-167.8	-67.3	177.3	0	0	0	113.4	V370 H451 L452	V370-L456 HydrophobicContact CG2-CD2 3.37Å; H451-L456 WeakPolarHBondContact NE2-CG 3.03Å; H451-L456 PolarHBondContact O-N 2.87Å; H451-L456 VanDerWaalsContact O-N 3.13Å; L452-L456 HydrophobicContact CD2-CB 4.46Å; L452-L456 HydrophobicContact CD2-CD1 3.92Å
457	F	95.5	Very high	94.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	31.5	-174.9	-57	-49.3	0	0	0	111.7	L373 D431 I435 L452 D459 F460 A461 F468	L373-F457 HydrophobicContact CD2-CE1 4.36Å; L373-F457 HydrophobicContact CD2-CZ 3.81Å; D431-F457 HydrophobicContact CB-CE1 4.14Å; D431-F457 HydrophobicContact CB-CZ 3.84Å; I435-F457 HydrophobicContact CD1-CB 4.2Å; I435-F457 HydrophobicContact CD1-CD1 3.58Å; I435-F457 HydrophobicContact CD1-CD2 3.77Å; I435-F457 HydrophobicContact CD1-CE1 3.8Å; I435-F457 HydrophobicContact CD1-CE2 3.95Å; I435-F457 HydrophobicContact CD1-CG 3.58Å; I435-F457 HydrophobicContact CD1-CZ 3.97Å; L452-F457 HydrophobicContact CB-CD2 4.29Å; L452-F457 HydrophobicContact CD2-CD2 3.7Å; L452-F457 HydrophobicContact CD2-CE2 3.58Å; L452-F457 CarbonylContact O-C 3.57Å; L452-F457 WeakPolarHBondContact O-CA 3.43Å; L452-F457 PolarHBondContact O-N 3.4Å; F457-D459 VanDerWaalsContact C-N 3.31Å; F457-D459 PolarHBondContact O-N 2.79Å; F457-F460 HydrophobicContact CB-CB 4.35Å; F457-F460 HydrophobicContact CB-CD2 4.16Å; F457-F460 HydrophobicContact CD1-CD2 4.26Å; F457-F460 WeakPolarHBondContact O-CA 3.35Å; F457-F460 WeakPolarHBondContact O-CB 3.42Å; F457-F460 PolarHBondContact O-N 2.79Å; F457-A461 PolarHBondContact O-N 3.19Å; F457-F468 HydrophobicContact CB-CE1 4Å; F457-F468 HydrophobicContact CB-CZ 4.03Å; F457-F468 HydrophobicContact CD2-CE1 4.33Å
458	K	96.1	Very high	95	Very high	92 Å²	92	44.5 Å²	44.5	40%	0.4	24%	0.241	S	C	.	.	H	α-helix	trans	-51.3	-48.8	-176.1	-170.8	-163	176.7	-50	0	112.7	I453 F460 A461 D462	I453-K458 VanDerWaalsContact O-CA 3.27Å; I453-K458 WeakPolarHBondContact O-CA 3.27Å; K458-F460 PolarHBondContact O-N 3.2Å; K458-A461 PolarHBondContact O-N 2.92Å; K458-A461 VanDerWaalsContact O-N 3.15Å; K458-D462 IonicContact NZ-OD1 2.7Å; K458-D462 PolarHBondContact NZ-OD1 3Å; K458-D462 IonicContact NZ-OD2 2.68Å; K458-D462 PolarHBondContact NZ-OD2 2.97Å; K458-D462 VanDerWaalsContact O-CG 3.24Å; K458-D462 PolarHBondContact O-N 2.82Å
459	D	96.6	Very high	95.1	Very high	28 Å²	28	46 Å²	46	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-30.4	-178.4	-75.4	-16.1	0	0	0	112.3	R413 R416 M417 F457 L463	R413-D459 IonicContact CZ-OD1 2.71Å; R413-D459 VanDerWaalsContact NH1-CG 3.26Å; R413-D459 IonicContact NH1-OD1 2.8Å; R413-D459 PolarHBondContact NH1-OD1 3.45Å; R413-D459 IonicContact NH1-OD2 3.76Å; R413-D459 IonicContact NH2-OD1 3.27Å; R413-D459 PolarHBondContact NH2-OD1 2.74Å; R416-D459 IonicContact CZ-OD2 2.75Å; R416-D459 IonicContact NE-OD2 2.88Å; R416-D459 PolarHBondContact NE-OD2 2.72Å; R416-D459 IonicContact NH2-OD1 2.7Å; R416-D459 IonicContact NH2-OD2 3.77Å; R416-D459 PolarHBondContact NH2-OD2 3.39Å; M417-D459 VanDerWaalsContact CE-C 3.47Å; M417-D459 HydrophobicContact CE-CB 4.15Å; M417-D459 VanDerWaalsContact CE-O 3.31Å; M417-D459 WeakPolarHBondContact CE-O 3.5Å; M417-D459 HydrophobicContact CG-CB 3.73Å; M417-D459 HydrophobicContact SD-CB 3.67Å; F457-D459 VanDerWaalsContact C-N 3.31Å; F457-D459 PolarHBondContact O-N 2.79Å; D459-L463 PolarHBondContact O-N 2.92Å
460	F	97.6	Very high	95.2	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.022	26%	0.26	C	S	.	.	H	α-helix	trans	-74.9	-39.1	173.6	-68.4	-81.7	0	0	0	112.1	F399 M417 H432 I435 I436 F457 K458 D462 L463 W464 F468	F399-F460 AromaticContact CE1-CE1 3.93Å; F399-F460 HydrophobicContact CE1-CE1 3.93Å; F399-F460 HydrophobicContact CZ-CD1 4.16Å; F399-F460 AromaticContact CZ-CE1 3.74Å; F399-F460 HydrophobicContact CZ-CE1 3.74Å; M417-F460 HydrophobicContact CB-CE1 4.17Å; M417-F460 HydrophobicContact CB-CE2 4.3Å; M417-F460 HydrophobicContact CB-CZ 3.86Å; M417-F460 HydrophobicContact CE-CB 4.19Å; M417-F460 HydrophobicContact CE-CD1 3.4Å; M417-F460 HydrophobicContact CE-CD2 4.21Å; M417-F460 HydrophobicContact CE-CE1 3.76Å; M417-F460 HydrophobicContact CE-CE2 4.5Å; M417-F460 HydrophobicContact CE-CG 3.66Å; M417-F460 HydrophobicContact CE-CZ 4.3Å; M417-F460 HydrophobicContact CG-CE2 4.42Å; M417-F460 HydrophobicContact CG-CZ 4.4Å; M417-F460 VanDerWaalsContact O-CZ 3.28Å; M417-F460 WeakPolarHBondContact O-CZ 3.31Å; H432-F460 HydrophobicContact CB-CZ 4Å; H432-F460 AromaticContact CD2-CE2 3.57Å; H432-F460 AromaticContact CD2-CZ 3.8Å; H432-F460 AromaticContact CG-CE2 3.93Å; H432-F460 AromaticContact CG-CZ 3.68Å; H432-F460 AromaticContact NE2-CE2 3.68Å; I435-F460 HydrophobicContact CB-CD1 4.37Å; I435-F460 HydrophobicContact CD1-CD2 4.19Å; I435-F460 HydrophobicContact CD1-CE2 4.44Å; I435-F460 HydrophobicContact CD1-CG 4.41Å; I435-F460 HydrophobicContact CG2-CB 3.87Å; I435-F460 HydrophobicContact CG2-CD1 3.52Å; I435-F460 HydrophobicContact CG2-CE1 4.15Å; I435-F460 HydrophobicContact CG2-CG 3.75Å; I436-F460 HydrophobicContact CD1-CE1 4.17Å; I436-F460 HydrophobicContact CG1-CE1 3.91Å; F457-F460 HydrophobicContact CB-CB 4.35Å; F457-F460 HydrophobicContact CB-CD2 4.16Å; F457-F460 HydrophobicContact CD1-CD2 4.26Å; F457-F460 WeakPolarHBondContact O-CA 3.35Å; F457-F460 WeakPolarHBondContact O-CB 3.42Å; F457-F460 PolarHBondContact O-N 2.79Å; K458-F460 PolarHBondContact O-N 3.2Å; F460-D462 VanDerWaalsContact C-N 3.34Å; F460-L463 WeakPolarHBondContact O-CB 3.43Å; F460-L463 PolarHBondContact O-N 3.18Å; F460-W464 HydrophobicContact CD1-CZ3 4.45Å; F460-W464 PolarHBondContact O-N 3.48Å; F460-F468 HydrophobicContact CB-CE2 3.97Å; F460-F468 HydrophobicContact CB-CZ 3.75Å
461	A	96.7	Very high	95.4	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-35.6	175.7	0	0	0	0	0	111.8	I453 F457 K458 L463 W464 P465 F468	I453-A461 HydrophobicContact CB-CB 4.38Å; I453-A461 HydrophobicContact CG1-CB 4.49Å; I453-A461 HydrophobicContact CG2-CB 3.99Å; F457-A461 PolarHBondContact O-N 3.19Å; K458-A461 PolarHBondContact O-N 2.92Å; K458-A461 VanDerWaalsContact O-N 3.15Å; A461-L463 PolarHBondContact O-N 3.24Å; A461-W464 CarbonylContact O-C 3.6Å; A461-P465 WeakPolarHBondContact O-CA 3.44Å; A461-P465 WeakPolarHBondContact O-CD 3.45Å; A461-F468 HydrophobicContact CB-CD2 3.93Å; A461-F468 HydrophobicContact CB-CE2 4.01Å; A461-F468 HydrophobicContact CB-CG 4.41Å
462	D	96.6	Very high	95.7	Very high	60 Å²	60	41.9 Å²	41.9	32%	0.321	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-31.2	171.9	-67.9	-18.7	0	0	0	111.7	W407 R413 K458 F460	W407-D462 HydrophobicContact CH2-CB 4.14Å; W407-D462 HydrophobicContact CZ2-CB 3.96Å; R413-D462 IonicContact NH1-OD2 3.33Å; K458-D462 IonicContact NZ-OD1 2.7Å; K458-D462 PolarHBondContact NZ-OD1 3Å; K458-D462 IonicContact NZ-OD2 2.68Å; K458-D462 PolarHBondContact NZ-OD2 2.97Å; K458-D462 VanDerWaalsContact O-CG 3.24Å; K458-D462 PolarHBondContact O-N 2.82Å; F460-D462 VanDerWaalsContact C-N 3.34Å
463	L	96.6	Very high	95.9	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-78	-46.7	178.1	-175.7	60.3	0	0	0	112	F399 V402 I403 R406 W407 M417 D459 F460 A461	F399-L463 HydrophobicContact CE2-CD2 3.6Å; F399-L463 HydrophobicContact CZ-CD2 3.96Å; V402-L463 HydrophobicContact CG1-CD1 4.38Å; V402-L463 HydrophobicContact CG1-CD2 4.38Å; I403-L463 HydrophobicContact CD1-CD2 3.69Å; R406-L463 HydrophobicContact CB-CD1 4.13Å; R406-L463 HydrophobicContact CG-CD1 3.88Å; W407-L463 HydrophobicContact CH2-CB 3.63Å; W407-L463 HydrophobicContact CH2-CD1 3.95Å; W407-L463 HydrophobicContact CH2-CG 4.35Å; W407-L463 HydrophobicContact CZ3-CB 3.97Å; W407-L463 HydrophobicContact CZ3-CD1 3.74Å; W407-L463 HydrophobicContact CZ3-CG 4.31Å; M417-L463 HydrophobicContact CE-CB 4.46Å; M417-L463 HydrophobicContact CE-CD2 4.22Å; D459-L463 PolarHBondContact O-N 2.92Å; F460-L463 WeakPolarHBondContact O-CB 3.43Å; F460-L463 PolarHBondContact O-N 3.18Å; A461-L463 PolarHBondContact O-N 3.24Å
464	W	96.3	Very high	96	Very high	69 Å²	69	40 Å²	40	26%	0.261	22%	0.22	S	C	.	.			trans	-132.3	72.2	-174.9	-61.8	-51.8	0	0	0	111.5	F399 F460 A461 S466 K467	F399-W464 AromaticContact CD2-CH2 3.95Å; F399-W464 HydrophobicContact CD2-CH2 3.95Å; F399-W464 AromaticContact CE2-CH2 3.36Å; F399-W464 HydrophobicContact CE2-CH2 3.36Å; F399-W464 HydrophobicContact CE2-CZ2 4.07Å; F399-W464 AromaticContact CE2-CZ3 3.91Å; F399-W464 HydrophobicContact CE2-CZ3 3.91Å; F399-W464 HydrophobicContact CZ-CH2 4.27Å; F399-W464 HydrophobicContact CZ-CZ3 4.41Å; F460-W464 HydrophobicContact CD1-CZ3 4.45Å; F460-W464 PolarHBondContact O-N 3.48Å; A461-W464 CarbonylContact O-C 3.6Å; W464-S466 VanDerWaalsContact C-N 3.28Å; W464-S466 PolarHBondContact O-N 2.8Å; W464-K467 HydrophobicContact CB-CB 3.7Å; W464-K467 HydrophobicContact CB-CD 4.32Å; W464-K467 HydrophobicContact CD2-CD 4.47Å; W464-K467 HydrophobicContact CE3-CD 3.99Å; W464-K467 VanDerWaalsContact O-CB 3.31Å; W464-K467 WeakPolarHBondContact O-CB 3.5Å; W464-K467 PolarHBondContact O-N 3.27Å
465	P	94.2	Very high	96.2	Very high	96 Å²	96	35.1 Å²	35.1	62%	0.623	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-60.9	-35.4	-174.2	21.5	-33.1	0	0	0	113	A461 K467	A461-P465 WeakPolarHBondContact O-CA 3.44Å; A461-P465 WeakPolarHBondContact O-CD 3.45Å; P465-K467 VanDerWaalsContact C-N 3.29Å; P465-K467 PolarHBondContact O-N 3.39Å
466	S	95.1	Very high	96.5	Very high	101 Å²	101	30.9 Å²	30.9	71%	0.706	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-75.2	-12.4	178.2	56.3	0	0	0	0	114.5	W464	W464-S466 VanDerWaalsContact C-N 3.28Å; W464-S466 PolarHBondContact O-N 2.8Å
467	K	96.1	Very high	96.8	Very high	21 Å²	21	29.4 Å²	29.4	9%	0.091	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-73.4	-31.1	177.6	178.4	175.9	-75.7	-166.6	0	111.3	I435 S438 V441 W464 P465	I435-K467 PolarHBondContact O-NZ 3.14Å; S438-K467 WeakPolarHBondContact O-CD 3.25Å; S438-K467 WeakPolarHBondContact O-CE 3.49Å; S438-K467 PolarHBondContact O-NZ 3.02Å; V441-K467 HydrophobicContact CB-CG 4.38Å; V441-K467 HydrophobicContact CG2-CD 4.11Å; V441-K467 HydrophobicContact CG2-CG 4.04Å; V441-K467 PolarHBondContact N-O 3.27Å; W464-K467 HydrophobicContact CB-CB 3.7Å; W464-K467 HydrophobicContact CB-CD 4.32Å; W464-K467 HydrophobicContact CD2-CD 4.47Å; W464-K467 HydrophobicContact CE3-CD 3.99Å; W464-K467 VanDerWaalsContact O-CB 3.31Å; W464-K467 WeakPolarHBondContact O-CB 3.5Å; W464-K467 PolarHBondContact O-N 3.27Å; P465-K467 VanDerWaalsContact C-N 3.29Å; P465-K467 PolarHBondContact O-N 3.39Å
468	F	97.1	Very high	96.9	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.3	-177.6	-69.8	-96.1	0	0	0	111.2	I435 V441 I453 F457 F460 A461	I435-F468 HydrophobicContact CG2-CZ 4.04Å; V441-F468 HydrophobicContact CB-CD1 4.25Å; V441-F468 HydrophobicContact CB-CE1 4.27Å; V441-F468 HydrophobicContact CG1-CD1 4.05Å; V441-F468 HydrophobicContact CG1-CE1 3.9Å; V441-F468 CarbonylContact O-C 3.06Å; V441-F468 VanDerWaalsContact O-CA 3.29Å; V441-F468 WeakPolarHBondContact O-CA 3.33Å; I453-F468 HydrophobicContact CD1-CB 3.92Å; I453-F468 HydrophobicContact CG1-CB 3.77Å; I453-F468 HydrophobicContact CG1-CD1 4.27Å; I453-F468 HydrophobicContact CG1-CG 4.16Å; F457-F468 HydrophobicContact CB-CE1 4Å; F457-F468 HydrophobicContact CB-CZ 4.03Å; F457-F468 HydrophobicContact CD2-CE1 4.33Å; F460-F468 HydrophobicContact CB-CE2 3.97Å; F460-F468 HydrophobicContact CB-CZ 3.75Å; A461-F468 HydrophobicContact CB-CD2 3.93Å; A461-F468 HydrophobicContact CB-CE2 4.01Å; A461-F468 HydrophobicContact CB-CG 4.41Å
469	T	96.7	Very high	97	Very high	34 Å²	34	25.4 Å²	25.4	21%	0.209	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	168.6	179	68.9	0	0	0	0	111.7	F440 V441 N442 G443 T449	F440-T469 HydrophobicContact CD1-CG2 4.15Å; F440-T469 HydrophobicContact CE1-CG2 4.4Å; V441-T469 PolarHBondContact O-N 3.49Å; N442-T469 WeakPolarHBondContact CA-O 3.49Å; N442-T469 VanDerWaalsContact CB-O 3.25Å; N442-T469 WeakPolarHBondContact CB-O 3.31Å; N442-T469 WeakPolarHBondContact CB-OG1 3.26Å; G443-T469 PolarHBondContact N-O 3.15Å; G443-T469 VanDerWaalsContact N-O 3.12Å; T449-T469 WeakPolarHBondContact CG2-O 3.26Å
470	N	97	Very high	97.1	Very high	44 Å²	44	24.1 Å²	24.1	24%	0.235	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.2	171.2	176.7	56	0	0	0	110.4	S445 I446 T449 T472	S445-N470 PolarHBondContact O-OD1 3.42Å; I446-N470 WeakPolarHBondContact CG1-ND2 3.36Å; I446-N470 PolarHBondContact N-OD1 3.48Å; T449-N470 HydrophobicContact CG2-CB 4Å; T449-N470 WeakPolarHBondContact OG1-CB 3.47Å; T449-N470 PolarHBondContact OG1-OD1 3.31Å; N470-T472 PolarHBondContact ND2-OG1 3.32Å; N470-T472 VanDerWaalsContact ND2-OG1 3.08Å
471	K	97.5	Very high	97.2	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.039	14%	0.135	C	C	.	.			trans	-138.6	86.5	164.7	-65.9	-70.6	174	-91.7	0	108.7	N442 G443 N473 E809 Y810 D813 I814	N442-K471 HydrophobicContact CB-CG 4.39Å; G443-K471 PolarHBondContact O-N 3.01Å; G443-K471 VanDerWaalsContact O-N 3.08Å; K471-N473 PolarHBondContact O-N 3.45Å; K471-E809 HydrophobicContact CD-CB 3.59Å; K471-E809 VanDerWaalsContact CE-C 3.43Å; K471-E809 VanDerWaalsContact CE-O 3.3Å; K471-E809 WeakPolarHBondContact CE-O 3.35Å; K471-Y810 HydrophobicContact CB-CD2 4.08Å; K471-Y810 HydrophobicContact CB-CE1 4.12Å; K471-Y810 HydrophobicContact CB-CE2 3.39Å; K471-Y810 VanDerWaalsContact CB-CZ 3.42Å; K471-Y810 HydrophobicContact CD-CD2 4.12Å; K471-Y810 HydrophobicContact CD-CE2 4.29Å; K471-Y810 HydrophobicContact CD-CG 4.24Å; K471-Y810 HydrophobicContact CG-CD1 4.09Å; K471-Y810 HydrophobicContact CG-CD2 4.02Å; K471-Y810 HydrophobicContact CG-CE1 3.82Å; K471-Y810 HydrophobicContact CG-CE2 3.75Å; K471-Y810 HydrophobicContact CG-CG 4.18Å; K471-D813 IonicContact NZ-OD2 2.78Å; K471-D813 PolarHBondContact NZ-OD2 2.89Å; K471-I814 HydrophobicContact CD-CD1 4.36Å; K471-I814 HydrophobicContact CG-CD1 3.84Å
472	T	97.5	Very high	97.2	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.025	14%	0.136	C	C	.	.			trans	-52.3	128.8	178	-59.4	0	0	0	0	109.8	V444 N470 E688 R805 T806	V444-T472 WeakPolarHBondContact O-CA 3.49Å; N470-T472 PolarHBondContact ND2-OG1 3.32Å; N470-T472 VanDerWaalsContact ND2-OG1 3.08Å; T472-E688 WeakPolarHBondContact CB-OE1 3.42Å; T472-E688 WeakPolarHBondContact CG2-OE1 3.3Å; T472-E688 VanDerWaalsContact CG2-OE2 3.26Å; T472-E688 WeakPolarHBondContact CG2-OE2 3.49Å; T472-E688 PolarHBondContact OG1-OE1 2.8Å; T472-E688 PolarHBondContact OG1-OE2 2.84Å; T472-R805 VanDerWaalsContact O-CZ 3.32Å; T472-R805 PolarHBondContact O-NH1 2.91Å; T472-R805 PolarHBondContact O-NH2 3.39Å; T472-T806 WeakPolarHBondContact O-CG2 3.4Å; T472-T806 PolarHBondContact O-OG1 2.98Å; T472-T806 VanDerWaalsContact O-OG1 3.11Å
473	N	98	Very high	97.1	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	12%	0.123	C	C	.	.			trans	-55.4	165.5	179.2	-78.8	-19.6	0	0	0	113.5	L133 V444 K471 S664 T666 M669 R805	L133-N473 HydrophobicContact CD1-CB 3.94Å; L133-N473 WeakPolarHBondContact CD1-OD1 3.49Å; L133-N473 VanDerWaalsContact CD2-OD1 3.26Å; L133-N473 WeakPolarHBondContact CD2-OD1 3.22Å; V444-N473 PolarHBondContact O-N 3.39Å; K471-N473 PolarHBondContact O-N 3.45Å; N473-S664 PolarHBondContact ND2-OG 3.04Å; N473-T666 HydrophobicContact CB-CG2 3.91Å; N473-M669 HydrophobicContact CB-CE 4.13Å; N473-M669 WeakPolarHBondContact O-CE 3.11Å; N473-R805 PolarHBondContact O-NH2 3.44Å; N473-R805 VanDerWaalsContact O-NH2 3.15Å
474	G	97.7	Very high	97.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.			trans	-153.9	171.2	174.2	0	0	0	0	0	112.3	F801 T806	G474-F801 CarbonylContact C-O 3.5Å; G474-F801 WeakPolarHBondContact CA-O 3.31Å; G474-T806 PolarHBondContact N-OG1 2.9Å
475	I	98.5	Very high	97.2	Very high	3 Å²	3	18 Å²	18	2%	0.015	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-122.7	149.8	-179.2	60.2	169.4	0	0	0	111	P477 W480 M669 K670 L673 F801 S802 S803	I475-P477 VanDerWaalsContact O-CD 3.23Å; I475-P477 WeakPolarHBondContact O-CD 3.14Å; I475-W480 HydrophobicContact CB-CG 4.49Å; I475-W480 HydrophobicContact CD1-CB 4.02Å; I475-W480 HydrophobicContact CD1-CG 4.43Å; I475-M669 HydrophobicContact CD1-CB 3.94Å; I475-M669 HydrophobicContact CG1-CB 4.18Å; I475-M669 HydrophobicContact CG2-CB 4.18Å; I475-M669 HydrophobicContact CG2-SD 4.42Å; I475-K670 HydrophobicContact CB-CG 4.45Å; I475-K670 VanDerWaalsContact CD1-CA 3.46Å; I475-K670 HydrophobicContact CD1-CB 4.05Å; I475-K670 HydrophobicContact CD1-CG 3.6Å; I475-K670 HydrophobicContact CG2-CG 3.96Å; I475-L673 HydrophobicContact CD1-CB 4.41Å; I475-L673 HydrophobicContact CD1-CD2 3.96Å; I475-F801 PolarHBondContact N-O 3.44Å; I475-S802 WeakPolarHBondContact O-CA 3.37Å; I475-S803 PolarHBondContact O-N 3.32Å; I475-S803 PolarHBondContact O-OG 3.06Å
476	S	98.2	Very high	97.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	9%	0.094	C	C	.	.			trans	-74.1	117.4	176	163.7	0	0	0	0	110.2	C136 D139 R478 R479 W480 S803	C136-S476 PolarHBondContact SG-N 3.39Å; D139-S476 VanDerWaalsContact OD1-CB 3.28Å; D139-S476 WeakPolarHBondContact OD1-CB 3.01Å; D139-S476 PolarHBondContact OD1-OG 3.21Å; S476-R478 PolarHBondContact O-N 3.26Å; S476-R478 PolarHBondContact OG-N 3.36Å; S476-R478 PolarHBondContact OG-NE 3.14Å; S476-R478 PolarHBondContact OG-NH2 3.41Å; S476-R479 PolarHBondContact O-N 3.37Å; S476-W480 WeakPolarHBondContact O-CB 3.27Å; S476-W480 PolarHBondContact O-N 3.44Å; S476-S803 WeakPolarHBondContact CA-OG 3.02Å; S476-S803 PolarHBondContact N-OG 2.7Å; S476-S803 VanDerWaalsContact N-OG 3.15Å
477	P	97.7	Very high	97.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.1	-22.3	174	25.3	-35.6	0	0	0	113	I475 L481 L482 V502 L505	I475-P477 VanDerWaalsContact O-CD 3.23Å; I475-P477 WeakPolarHBondContact O-CD 3.14Å; P477-L481 WeakPolarHBondContact O-CA 3.34Å; P477-L481 WeakPolarHBondContact O-CB 3.11Å; P477-L481 PolarHBondContact O-N 3.24Å; P477-L482 WeakPolarHBondContact O-CD1 3.5Å; P477-L482 PolarHBondContact O-N 3.27Å; P477-L482 VanDerWaalsContact O-N 3.08Å; P477-V502 WeakPolarHBondContact CG-O 3.43Å; P477-L505 HydrophobicContact CB-CD1 3.73Å; P477-L505 HydrophobicContact CB-CD2 4.14Å; P477-L505 HydrophobicContact CG-CD1 4.2Å; P477-L505 HydrophobicContact CG-CD2 4.39Å
478	R	98	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-59.7	-53.8	176.5	-72.8	67.1	58.4	179.9	5.3	109.9	L94 D139 S140 Y228 S476 L482 V483 V502 D804	L94-R478 HydrophobicContact CD2-CB 4.16Å; D139-R478 IonicContact OD1-CZ 2.51Å; D139-R478 IonicContact OD1-NE 2.72Å; D139-R478 PolarHBondContact OD1-NE 3.48Å; D139-R478 IonicContact OD1-NH2 3.29Å; D139-R478 PolarHBondContact OD1-NH2 3.29Å; S140-R478 PolarHBondContact OG-NH2 2.83Å; S140-R478 VanDerWaalsContact OG-NH2 3.1Å; Y228-R478 HydrophobicContact CD2-CG 3.66Å; Y228-R478 HydrophobicContact CE2-CG 4.49Å; Y228-R478 HydrophobicContact CG-CG 3.73Å; S476-R478 PolarHBondContact O-N 3.26Å; S476-R478 PolarHBondContact OG-N 3.36Å; S476-R478 PolarHBondContact OG-NE 3.14Å; S476-R478 PolarHBondContact OG-NH2 3.41Å; R478-L482 WeakPolarHBondContact O-CB 3.33Å; R478-L482 PolarHBondContact O-N 2.68Å; R478-V483 WeakPolarHBondContact O-CG2 3.45Å; R478-V483 PolarHBondContact O-N 3.37Å; R478-V502 HydrophobicContact CG-CG1 4.49Å; R478-D804 IonicContact CZ-OD1 3.28Å; R478-D804 VanDerWaalsContact CZ-OD1 3.27Å; R478-D804 IonicContact CZ-OD2 3.29Å; R478-D804 IonicContact NH1-OD1 3.63Å; R478-D804 PolarHBondContact NH1-OD1 3.09Å; R478-D804 IonicContact NH1-OD2 2.74Å; R478-D804 PolarHBondContact NH1-OD2 3.25Å; R478-D804 IonicContact NH2-OD1 3.42Å; R478-D804 PolarHBondContact NH2-OD1 2.89Å
479	R	98.1	Very high	97.4	Very high	9 Å²	9	10.9 Å²	10.9	3%	0.034	7%	0.069	C	C	.	.	I	π-helix	trans	-76.1	-46.8	179.2	-173	168.8	-68.1	-96.3	9.3	112.7	R87 N91 S476 L481 C484 E644	R87-R479 PolarHBondContact O-NH1 2.84Å; R87-R479 PolarHBondContact O-NH2 3.07Å; N91-R479 PolarHBondContact OD1-NE 3.31Å; N91-R479 PolarHBondContact OD1-NH2 3.02Å; S476-R479 PolarHBondContact O-N 3.37Å; R479-L481 VanDerWaalsContact C-N 3.32Å; R479-L481 PolarHBondContact O-N 3.4Å; R479-C484 PolarHBondContact O-N 3.13Å; R479-C484 PolarHBondContact O-SG 3.5Å; R479-C484 VanDerWaalsContact O-SG 3.41Å; R479-E644 VanDerWaalsContact CD-OE1 3.26Å; R479-E644 WeakPolarHBondContact CD-OE1 3.45Å; R479-E644 VanDerWaalsContact CG-OE1 3.24Å; R479-E644 WeakPolarHBondContact CG-OE1 3.2Å; R479-E644 IonicContact CZ-OE1 2.76Å; R479-E644 IonicContact NE-OE1 2.99Å; R479-E644 IonicContact NH1-OE1 3.58Å; R479-E644 PolarHBondContact NH1-OE1 3.11Å
480	W	98.5	Very high	97.4	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	8%	0.082	C	C	.	.	I	π-helix	trans	-91	12.5	-168.6	-60.3	112	0	0	0	114.5	R132 I475 S476 C484 V640 A643 E644 I647 K670 N674	R132-W480 HydrophobicContact CG-CZ2 4.06Å; I475-W480 HydrophobicContact CB-CG 4.49Å; I475-W480 HydrophobicContact CD1-CB 4.02Å; I475-W480 HydrophobicContact CD1-CG 4.43Å; S476-W480 WeakPolarHBondContact O-CB 3.27Å; S476-W480 PolarHBondContact O-N 3.44Å; W480-C484 PolarHBondContact O-SG 3.43Å; W480-V640 HydrophobicContact CH2-CG1 3.99Å; W480-V640 HydrophobicContact CZ2-CG1 4.29Å; W480-A643 HydrophobicContact CH2-CB 3.83Å; W480-A643 HydrophobicContact CZ3-CB 3.87Å; W480-E644 HydrophobicContact CH2-CG 4.49Å; W480-E644 HydrophobicContact CZ3-CG 3.99Å; W480-I647 HydrophobicContact CE3-CD1 3.93Å; W480-I647 HydrophobicContact CH2-CD1 4.47Å; W480-I647 HydrophobicContact CZ3-CD1 3.64Å; W480-K670 HydrophobicContact CB-CG 4.27Å; W480-K670 HydrophobicContact CD2-CD 3.62Å; W480-K670 HydrophobicContact CD2-CG 3.85Å; W480-K670 VanDerWaalsContact CE2-CE 3.43Å; W480-K670 HydrophobicContact CE3-CD 3.78Å; W480-K670 HydrophobicContact CE3-CG 4.19Å; W480-K670 HydrophobicContact CG-CD 4.18Å; W480-K670 HydrophobicContact CG-CG 3.89Å; W480-K670 HydrophobicContact CH2-CD 4.14Å; W480-K670 HydrophobicContact CZ2-CD 3.99Å; W480-K670 HydrophobicContact CZ3-CD 4.05Å; W480-N674 PolarHBondContact O-ND2 2.99Å
481	L	98.2	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-145.6	-57.6	168.1	178.4	56.3	0	0	0	111.5	P477 R479 N485 L488 T489 I492 W501 L673	P477-L481 WeakPolarHBondContact O-CA 3.34Å; P477-L481 WeakPolarHBondContact O-CB 3.11Å; P477-L481 PolarHBondContact O-N 3.24Å; R479-L481 VanDerWaalsContact C-N 3.32Å; R479-L481 PolarHBondContact O-N 3.4Å; L481-N485 HydrophobicContact CD1-CB 4.35Å; L481-N485 CarbonylContact O-C 3.56Å; L481-N485 VanDerWaalsContact O-C 3.31Å; L481-N485 WeakPolarHBondContact O-CA 3.32Å; L481-N485 WeakPolarHBondContact O-CB 3.43Å; L481-N485 PolarHBondContact O-N 2.94Å; L481-L488 HydrophobicContact CD1-CB 4.21Å; L481-L488 HydrophobicContact CD1-CD2 3.63Å; L481-L488 HydrophobicContact CD1-CG 3.88Å; L481-T489 PolarHBondContact O-OG1 3.37Å; L481-I492 HydrophobicContact CD2-CD1 4.05Å; L481-W501 HydrophobicContact CD2-CH2 3.81Å; L481-W501 HydrophobicContact CD2-CZ3 3.53Å; L481-W501 HydrophobicContact CG-CH2 4.37Å; L481-W501 HydrophobicContact CG-CZ3 4.47Å; L481-L673 HydrophobicContact CB-CD2 3.91Å; L481-L673 HydrophobicContact CB-CG 4.21Å; L481-L673 HydrophobicContact CD2-CD1 3.92Å; L481-L673 HydrophobicContact CD2-CD2 4.42Å; L481-L673 HydrophobicContact CD2-CG 4.15Å
482	L	97.1	Very high	97.3	Very high	12 Å²	12	11.2 Å²	11.2	6%	0.063	7%	0.07	C	C	.	.	I	π-helix	trans	-65.7	-49.7	-175	-79.8	61.5	0	0	0	112.3	L94 Y228 P477 R478 T489 W501 V502	L94-L482 HydrophobicContact CD1-CB 4.44Å; L94-L482 HydrophobicContact CD1-CD2 4.24Å; L94-L482 HydrophobicContact CD2-CB 3.63Å; L94-L482 HydrophobicContact CD2-CD2 4.03Å; Y228-L482 HydrophobicContact CE2-CD2 3.72Å; P477-L482 WeakPolarHBondContact O-CD1 3.5Å; P477-L482 PolarHBondContact O-N 3.27Å; P477-L482 VanDerWaalsContact O-N 3.08Å; R478-L482 WeakPolarHBondContact O-CB 3.33Å; R478-L482 PolarHBondContact O-N 2.68Å; L482-T489 WeakPolarHBondContact CA-OG1 3.23Å; L482-T489 HydrophobicContact CD1-CG2 4.27Å; L482-T489 HydrophobicContact CG-CG2 3.87Å; L482-W501 HydrophobicContact CD1-CH2 3.59Å; L482-W501 HydrophobicContact CD1-CZ2 4.49Å; L482-W501 HydrophobicContact CD1-CZ3 3.98Å; L482-V502 HydrophobicContact CD1-CG1 4.08Å; L482-V502 HydrophobicContact CD1-CG2 4.1Å; L482-V502 HydrophobicContact CD2-CB 4.48Å; L482-V502 HydrophobicContact CD2-CG1 3.64Å; L482-V502 HydrophobicContact CD2-CG2 3.97Å
483	V	96	Very high	97.2	Very high	9 Å²	9	13.9 Å²	13.9	6%	0.055	8%	0.079	C	C	.	.	I	π-helix	trans	-68.9	-50.4	179.3	167.1	0	0	0	0	111.4	K90 L94 R478	K90-V483 HydrophobicContact CB-CG1 4.35Å; K90-V483 HydrophobicContact CD-CG1 3.73Å; K90-V483 HydrophobicContact CG-CG1 3.87Å; K90-V483 HydrophobicContact CG-CG2 4.47Å; L94-V483 HydrophobicContact CD2-CG2 3.65Å; R478-V483 WeakPolarHBondContact O-CG2 3.45Å; R478-V483 PolarHBondContact O-N 3.37Å
484	C	97	Very high	97	Very high	10 Å²	10	16.5 Å²	16.5	7%	0.068	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-21.9	-169.8	68.3	0	0	0	0	114.3	R479 W480 E644 P648	R479-C484 PolarHBondContact O-N 3.13Å; R479-C484 PolarHBondContact O-SG 3.5Å; R479-C484 VanDerWaalsContact O-SG 3.41Å; W480-C484 PolarHBondContact O-SG 3.43Å; C484-E644 HydrophobicContact CB-CB 3.95Å; C484-E644 HydrophobicContact CB-CG 4.16Å; C484-E644 WeakPolarHBondContact CB-O 3.31Å; C484-P648 HydrophobicContact CB-CG 4.06Å; C484-P648 VanDerWaalsContact O-CG 3.28Å; C484-P648 WeakPolarHBondContact O-CG 3.48Å
485	N	98.1	Very high	96.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.107	C	C	.	.			trans	-139.2	65.4	-174.1	-162.2	-6.3	0	0	0	112.1	L481 G487 L488 T489 N531 P648 N674	L481-N485 HydrophobicContact CD1-CB 4.35Å; L481-N485 CarbonylContact O-C 3.56Å; L481-N485 VanDerWaalsContact O-C 3.31Å; L481-N485 WeakPolarHBondContact O-CA 3.32Å; L481-N485 WeakPolarHBondContact O-CB 3.43Å; L481-N485 PolarHBondContact O-N 2.94Å; N485-G487 VanDerWaalsContact C-N 3.31Å; N485-G487 PolarHBondContact O-N 3.19Å; N485-L488 HydrophobicContact CB-CB 4.26Å; N485-L488 WeakPolarHBondContact ND2-CB 3.46Å; N485-L488 PolarHBondContact O-N 2.9Å; N485-L488 WeakPolarHBondContact OD1-CB 3.48Å; N485-L488 PolarHBondContact OD1-N 3.4Å; N485-T489 PolarHBondContact O-N 3.28Å; N485-T489 PolarHBondContact O-OG1 3.28Å; N485-N531 PolarHBondContact ND2-ND2 3.03Å; N485-N531 PolarHBondContact OD1-ND2 2.98Å; N485-P648 HydrophobicContact CB-CB 4.17Å; N485-P648 HydrophobicContact CB-CG 4.16Å; N485-N674 VanDerWaalsContact CB-OD1 3.27Å; N485-N674 WeakPolarHBondContact CB-OD1 3.28Å; N485-N674 PolarHBondContact ND2-OD1 3.24Å
486	P	94.9	Very high	96.5	Very high	48 Å²	48	18.4 Å²	18.4	31%	0.312	11%	0.109	S	C	.	.	H	α-helix	trans	-58	-39.9	-179.2	21.8	-33.2	0	0	0	112.7	L488 T489 D490	P486-L488 VanDerWaalsContact C-N 3.33Å; P486-L488 PolarHBondContact O-N 2.98Å; P486-T489 CarbonylContact O-C 3.6Å; P486-T489 WeakPolarHBondContact O-CA 3.38Å; P486-T489 VanDerWaalsContact O-CB 3.29Å; P486-T489 WeakPolarHBondContact O-CB 3.21Å; P486-T489 PolarHBondContact O-N 3.42Å; P486-D490 PolarHBondContact O-N 3.1Å
487	G	96.9	Very high	96.1	Very high	29 Å²	29	26.8 Å²	26.8	30%	0.299	15%	0.148	S	C	.	.	H	α-helix	trans	-60.4	-38.5	177.7	0	0	0	0	0	113.8	N485 L491	N485-G487 VanDerWaalsContact C-N 3.31Å; N485-G487 PolarHBondContact O-N 3.19Å; G487-L491 PolarHBondContact O-N 3.29Å
488	L	98	Very high	95.7	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-71.7	-38	173.4	180	56.7	0	0	0	111.2	L481 N485 P486 D490 L491 I492 L524 V527 I795	L481-L488 HydrophobicContact CD1-CB 4.21Å; L481-L488 HydrophobicContact CD1-CD2 3.63Å; L481-L488 HydrophobicContact CD1-CG 3.88Å; N485-L488 HydrophobicContact CB-CB 4.26Å; N485-L488 WeakPolarHBondContact ND2-CB 3.46Å; N485-L488 PolarHBondContact O-N 2.9Å; N485-L488 WeakPolarHBondContact OD1-CB 3.48Å; N485-L488 PolarHBondContact OD1-N 3.4Å; P486-L488 VanDerWaalsContact C-N 3.33Å; P486-L488 PolarHBondContact O-N 2.98Å; L488-D490 VanDerWaalsContact C-N 3.33Å; L488-D490 PolarHBondContact O-N 3.28Å; L488-L491 HydrophobicContact CD1-CD2 4.5Å; L488-L491 PolarHBondContact O-N 3.18Å; L488-I492 HydrophobicContact CD1-CD1 4.13Å; L488-I492 HydrophobicContact CD1-CG1 4.23Å; L488-I492 HydrophobicContact CG-CD1 3.94Å; L488-I492 HydrophobicContact CG-CG1 4.47Å; L488-I492 VanDerWaalsContact O-CG1 3.3Å; L488-I492 WeakPolarHBondContact O-CG1 3.43Å; L488-I492 PolarHBondContact O-N 3.18Å; L488-L524 HydrophobicContact CD1-CD1 3.58Å; L488-V527 HydrophobicContact CB-CG1 3.97Å; L488-I795 HydrophobicContact CD1-CD1 4.11Å; L488-I795 HydrophobicContact CD2-CD1 4.04Å
489	T	96.9	Very high	95.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-46.4	176.1	-61	0	0	0	0	110.9	L481 L482 N485 P486 L491 I492 R493 W501	L481-T489 PolarHBondContact O-OG1 3.37Å; L482-T489 WeakPolarHBondContact CA-OG1 3.23Å; L482-T489 HydrophobicContact CD1-CG2 4.27Å; L482-T489 HydrophobicContact CG-CG2 3.87Å; N485-T489 PolarHBondContact O-N 3.28Å; N485-T489 PolarHBondContact O-OG1 3.28Å; P486-T489 CarbonylContact O-C 3.6Å; P486-T489 WeakPolarHBondContact O-CA 3.38Å; P486-T489 VanDerWaalsContact O-CB 3.29Å; P486-T489 WeakPolarHBondContact O-CB 3.21Å; P486-T489 PolarHBondContact O-N 3.42Å; T489-L491 PolarHBondContact O-N 3.43Å; T489-I492 PolarHBondContact O-N 3.05Å; T489-R493 HydrophobicContact CG2-CG 4.42Å; T489-R493 WeakPolarHBondContact O-CB 3.42Å; T489-R493 VanDerWaalsContact O-CG 3.29Å; T489-R493 WeakPolarHBondContact O-CG 3.49Å; T489-R493 PolarHBondContact O-N 3.42Å; T489-W501 HydrophobicContact CG2-CH2 4.21Å; T489-W501 HydrophobicContact CG2-CZ2 4.16Å
490	D	95.4	Very high	94.8	Very high	89 Å²	89	35.4 Å²	35.4	48%	0.476	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-37.7	179.1	-64.5	-22.5	0	0	0	112.1	P486 L488 I492 R493 S494	P486-D490 PolarHBondContact O-N 3.1Å; L488-D490 VanDerWaalsContact C-N 3.33Å; L488-D490 PolarHBondContact O-N 3.28Å; D490-I492 PolarHBondContact O-N 2.87Å; D490-R493 PolarHBondContact O-N 2.93Å; D490-R493 IonicContact OD1-NH1 3.99Å; D490-S494 WeakPolarHBondContact O-CB 3.37Å; D490-S494 PolarHBondContact O-N 3.01Å; D490-S494 PolarHBondContact O-OG 3.22Å
491	L	96.9	Very high	94.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-44.4	173.2	-177.9	60.6	0	0	0	111.4	G487 L488 T489 S494 T495 F520 R523 L524	G487-L491 PolarHBondContact O-N 3.29Å; L488-L491 HydrophobicContact CD1-CD2 4.5Å; L488-L491 PolarHBondContact O-N 3.18Å; T489-L491 PolarHBondContact O-N 3.43Å; L491-S494 PolarHBondContact O-OG 2.91Å; L491-T495 PolarHBondContact O-N 3.39Å; L491-T495 PolarHBondContact O-OG1 3.07Å; L491-F520 HydrophobicContact CD1-CD2 4.04Å; L491-F520 HydrophobicContact CD1-CE2 3.69Å; L491-F520 HydrophobicContact CD1-CZ 4.42Å; L491-F520 HydrophobicContact CD2-CE2 4.16Å; L491-F520 HydrophobicContact CD2-CZ 4.07Å; L491-F520 HydrophobicContact CG-CD2 4.49Å; L491-F520 HydrophobicContact CG-CE2 3.71Å; L491-F520 HydrophobicContact CG-CZ 3.99Å; L491-R523 HydrophobicContact CD1-CB 4.03Å; L491-R523 HydrophobicContact CD2-CB 4.43Å; L491-L524 HydrophobicContact CD2-CB 3.89Å; L491-L524 HydrophobicContact CD2-CD1 4.12Å
492	I	96.8	Very high	94.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-47.6	176.6	-66.5	168.7	0	0	0	110.4	L481 L488 T489 D490 S494 T495 M496 W501 L508 L511 I795	L481-I492 HydrophobicContact CD2-CD1 4.05Å; L488-I492 HydrophobicContact CD1-CD1 4.13Å; L488-I492 HydrophobicContact CD1-CG1 4.23Å; L488-I492 HydrophobicContact CG-CD1 3.94Å; L488-I492 HydrophobicContact CG-CG1 4.47Å; L488-I492 VanDerWaalsContact O-CG1 3.3Å; L488-I492 WeakPolarHBondContact O-CG1 3.43Å; L488-I492 PolarHBondContact O-N 3.18Å; T489-I492 PolarHBondContact O-N 3.05Å; D490-I492 PolarHBondContact O-N 2.87Å; I492-S494 PolarHBondContact O-N 3.16Å; I492-T495 WeakPolarHBondContact O-CB 3.46Å; I492-T495 PolarHBondContact O-N 3.17Å; I492-M496 HydrophobicContact CG2-CG 3.92Å; I492-M496 WeakPolarHBondContact O-CG 3.44Å; I492-M496 PolarHBondContact O-N 3.28Å; I492-W501 HydrophobicContact CB-CZ2 4.25Å; I492-W501 HydrophobicContact CG2-CD2 3.97Å; I492-W501 HydrophobicContact CG2-CE3 4.43Å; I492-W501 HydrophobicContact CG2-CG 4.46Å; I492-W501 HydrophobicContact CG2-CH2 4.25Å; I492-W501 HydrophobicContact CG2-CZ2 3.77Å; I492-L508 HydrophobicContact CD1-CD2 4.12Å; I492-L508 HydrophobicContact CG2-CD2 3.86Å; I492-L511 HydrophobicContact CD1-CD1 4.46Å; I492-L511 HydrophobicContact CG1-CD1 4.13Å; I492-I795 HydrophobicContact CD1-CG2 4.33Å
493	R	94.7	Very high	94.3	Very high	61 Å²	61	38.4 Å²	38.4	23%	0.23	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-48.9	178	-78.1	175.9	164.5	161.3	-11.3	112.4	T489 D490 T495 M496 Q497 D499 W501	T489-R493 HydrophobicContact CG2-CG 4.42Å; T489-R493 WeakPolarHBondContact O-CB 3.42Å; T489-R493 VanDerWaalsContact O-CG 3.29Å; T489-R493 WeakPolarHBondContact O-CG 3.49Å; T489-R493 PolarHBondContact O-N 3.42Å; D490-R493 PolarHBondContact O-N 2.93Å; D490-R493 IonicContact OD1-NH1 3.99Å; R493-T495 PolarHBondContact O-N 3.41Å; R493-T495 VanDerWaalsContact O-N 3.13Å; R493-M496 PolarHBondContact O-N 3.49Å; R493-Q497 WeakPolarHBondContact O-CA 3.38Å; R493-Q497 PolarHBondContact O-N 3.35Å; R493-D499 WeakPolarHBondContact CD-OD1 3.19Å; R493-D499 VanDerWaalsContact CG-OD1 3.29Å; R493-D499 WeakPolarHBondContact CG-OD1 3.31Å; R493-D499 IonicContact CZ-OD1 3.77Å; R493-D499 IonicContact CZ-OD2 3.65Å; R493-D499 IonicContact NE-OD1 3.71Å; R493-D499 PolarHBondContact NE-OD1 3.49Å; R493-D499 IonicContact NE-OD2 3.58Å; R493-D499 PolarHBondContact NE-OD2 3.07Å; R493-D499 IonicContact NH2-OD1 2.79Å; R493-D499 IonicContact NH2-OD2 2.64Å; R493-D499 PolarHBondContact NH2-OD2 3.13Å; R493-W501 HydrophobicContact CG-CZ2 4.2Å
494	S	93	Very high	94.2	Very high	63 Å²	63	41.4 Å²	41.4	44%	0.441	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-23.2	177.9	69.9	0	0	0	0	113	D490 L491 I492	D490-S494 WeakPolarHBondContact O-CB 3.37Å; D490-S494 PolarHBondContact O-N 3.01Å; D490-S494 PolarHBondContact O-OG 3.22Å; L491-S494 PolarHBondContact O-OG 2.91Å; I492-S494 PolarHBondContact O-N 3.16Å
495	T	93.9	Very high	94.2	Very high	29 Å²	29	41.1 Å²	41.1	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-92.4	-42.2	-179.8	-55.9	0	0	0	0	112.5	L491 I492 R493 L511 K514 F520	L491-T495 PolarHBondContact O-N 3.39Å; L491-T495 PolarHBondContact O-OG1 3.07Å; I492-T495 WeakPolarHBondContact O-CB 3.46Å; I492-T495 PolarHBondContact O-N 3.17Å; R493-T495 PolarHBondContact O-N 3.41Å; R493-T495 VanDerWaalsContact O-N 3.13Å; T495-L511 HydrophobicContact CG2-CD2 4.03Å; T495-K514 HydrophobicContact CG2-CG 4.03Å; T495-F520 HydrophobicContact CG2-CE2 4.22Å; T495-F520 WeakPolarHBondContact OG1-CE2 3.15Å
496	M	91.8	Very high	94.1	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.064	24%	0.242	C	C	.	.	H	α-helix	trans	-80.9	-22.3	-178.5	-64.7	-66.7	97.2	0	0	113	I492 R493 S498 R510 L511	I492-M496 HydrophobicContact CG2-CG 3.92Å; I492-M496 WeakPolarHBondContact O-CG 3.44Å; I492-M496 PolarHBondContact O-N 3.28Å; R493-M496 PolarHBondContact O-N 3.49Å; M496-S498 PolarHBondContact O-N 3.21Å; M496-R510 HydrophobicContact CE-CB 3.87Å; M496-R510 HydrophobicContact SD-CB 3.93Å; M496-L511 HydrophobicContact CE-CD2 3.75Å; M496-L511 HydrophobicContact CE-CG 4.27Å
497	Q	90.4	Very high	94.2	Very high	178 Å²	178	44.3 Å²	44.3	83%	0.832	24%	0.237	S	C	*	.	S	Bend	trans	55.9	27.3	-176.7	-56.2	177.9	6.9	0	0	113.7	R493	R493-Q497 WeakPolarHBondContact O-CA 3.38Å; R493-Q497 PolarHBondContact O-N 3.35Å
498	S	88.8	Confident	94.2	Very high	39 Å²	39	43 Å²	43	27%	0.273	22%	0.223	S	C	.	.	S	Bend	trans	-160.4	158.3	177.1	170.6	0	0	0	0	109.8	M496 D500 W501	M496-S498 PolarHBondContact O-N 3.21Å; S498-D500 WeakPolarHBondContact OG-CB 3.46Å; S498-D500 PolarHBondContact OG-N 2.97Å; S498-D500 PolarHBondContact OG-OD2 3.34Å; S498-W501 PolarHBondContact O-NE1 3.12Å
499	D	87.1	Confident	94.1	Very high	42 Å²	42	45 Å²	45	23%	0.225	23%	0.234	C	C	.	.	S	Bend	trans	-98.1	1.9	171	-88.6	-1.2	0	0	0	113.2	R229 R493 W501 V502	R229-D499 IonicContact CZ-OD2 3.63Å; R229-D499 IonicContact NH1-OD2 2.64Å; R229-D499 PolarHBondContact NH1-OD2 3Å; R493-D499 WeakPolarHBondContact CD-OD1 3.19Å; R493-D499 VanDerWaalsContact CG-OD1 3.29Å; R493-D499 WeakPolarHBondContact CG-OD1 3.31Å; R493-D499 IonicContact CZ-OD1 3.77Å; R493-D499 IonicContact CZ-OD2 3.65Å; R493-D499 IonicContact NE-OD1 3.71Å; R493-D499 PolarHBondContact NE-OD1 3.49Å; R493-D499 IonicContact NE-OD2 3.58Å; R493-D499 PolarHBondContact NE-OD2 3.07Å; R493-D499 IonicContact NH2-OD1 2.79Å; R493-D499 IonicContact NH2-OD2 2.64Å; R493-D499 PolarHBondContact NH2-OD2 3.13Å; D499-W501 PolarHBondContact O-N 2.84Å; D499-W501 VanDerWaalsContact O-N 3.13Å; D499-V502 WeakPolarHBondContact O-CB 3.45Å; D499-V502 VanDerWaalsContact O-CG2 3.3Å; D499-V502 WeakPolarHBondContact O-CG2 3.38Å; D499-V502 PolarHBondContact O-N 2.88Å
500	D	91.3	Very high	94.1	Very high	109 Å²	109	50.4 Å²	50.4	58%	0.583	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-59.3	-29.8	-177.9	-65.6	-37.1	0	0	0	113.1	S498 V502 K503 N504 M507	S498-D500 WeakPolarHBondContact OG-CB 3.46Å; S498-D500 PolarHBondContact OG-N 2.97Å; S498-D500 PolarHBondContact OG-OD2 3.34Å; D500-V502 PolarHBondContact O-N 3.2Å; D500-V502 VanDerWaalsContact O-N 3.15Å; D500-K503 PolarHBondContact O-N 3.15Å; D500-N504 PolarHBondContact O-N 3.13Å; D500-M507 HydrophobicContact CB-CE 4.14Å; D500-M507 HydrophobicContact CB-SD 4.07Å
501	W	94.4	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22.3	177.6	66	-93.1	0	0	0	112.6	L481 L482 T489 I492 R493 S498 D499 K503 N504 L505 M507 L508	L481-W501 HydrophobicContact CD2-CH2 3.81Å; L481-W501 HydrophobicContact CD2-CZ3 3.53Å; L481-W501 HydrophobicContact CG-CH2 4.37Å; L481-W501 HydrophobicContact CG-CZ3 4.47Å; L482-W501 HydrophobicContact CD1-CH2 3.59Å; L482-W501 HydrophobicContact CD1-CZ2 4.49Å; L482-W501 HydrophobicContact CD1-CZ3 3.98Å; T489-W501 HydrophobicContact CG2-CH2 4.21Å; T489-W501 HydrophobicContact CG2-CZ2 4.16Å; I492-W501 HydrophobicContact CB-CZ2 4.25Å; I492-W501 HydrophobicContact CG2-CD2 3.97Å; I492-W501 HydrophobicContact CG2-CE3 4.43Å; I492-W501 HydrophobicContact CG2-CG 4.46Å; I492-W501 HydrophobicContact CG2-CH2 4.25Å; I492-W501 HydrophobicContact CG2-CZ2 3.77Å; R493-W501 HydrophobicContact CG-CZ2 4.2Å; S498-W501 PolarHBondContact O-NE1 3.12Å; D499-W501 PolarHBondContact O-N 2.84Å; D499-W501 VanDerWaalsContact O-N 3.13Å; W501-K503 VanDerWaalsContact C-N 3.35Å; W501-K503 PolarHBondContact O-N 3.18Å; W501-N504 CarbonylContact O-C 3.54Å; W501-N504 PolarHBondContact O-N 3.21Å; W501-L505 HydrophobicContact CE3-CD1 3.99Å; W501-L505 HydrophobicContact CZ3-CD1 4.16Å; W501-L505 WeakPolarHBondContact O-CA 3.49Å; W501-L505 PolarHBondContact O-N 3.24Å; W501-L505 VanDerWaalsContact O-N 3.08Å; W501-M507 HydrophobicContact CB-CB 3.84Å; W501-M507 HydrophobicContact CB-SD 4.34Å; W501-L508 HydrophobicContact CD2-CD2 4.34Å; W501-L508 HydrophobicContact CE3-CD2 3.92Å; W501-L508 HydrophobicContact CZ3-CD2 4.44Å
502	V	94.2	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-67.5	-37.3	179	-176.5	0	0	0	0	111.3	Y228 P477 R478 L482 D499 D500	Y228-V502 HydrophobicContact CD1-CB 4.36Å; Y228-V502 HydrophobicContact CD1-CG1 3.72Å; Y228-V502 HydrophobicContact CE1-CB 3.75Å; Y228-V502 HydrophobicContact CE1-CG1 3.41Å; Y228-V502 VanDerWaalsContact CE1-CG1 3.41Å; Y228-V502 HydrophobicContact CE1-CG2 4.32Å; Y228-V502 HydrophobicContact CE2-CG1 4.37Å; Y228-V502 HydrophobicContact CG-CG1 4.33Å; P477-V502 WeakPolarHBondContact CG-O 3.43Å; R478-V502 HydrophobicContact CG-CG1 4.49Å; L482-V502 HydrophobicContact CD1-CG1 4.08Å; L482-V502 HydrophobicContact CD1-CG2 4.1Å; L482-V502 HydrophobicContact CD2-CB 4.48Å; L482-V502 HydrophobicContact CD2-CG1 3.64Å; L482-V502 HydrophobicContact CD2-CG2 3.97Å; D499-V502 WeakPolarHBondContact O-CB 3.45Å; D499-V502 VanDerWaalsContact O-CG2 3.3Å; D499-V502 WeakPolarHBondContact O-CG2 3.38Å; D499-V502 PolarHBondContact O-N 2.88Å; D500-V502 PolarHBondContact O-N 3.2Å; D500-V502 VanDerWaalsContact O-N 3.15Å
503	K	93	Very high	94.1	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-14.6	175.3	-64.8	-177.1	-178.4	178.7	0	112.4	T143 Y228 R229 D500 W501 R808	T143-K503 HydrophobicContact CG2-CG 4.2Å; Y228-K503 HydrophobicContact CD1-CG 4.17Å; Y228-K503 WeakPolarHBondContact O-CE 3.34Å; Y228-K503 PolarHBondContact O-NZ 2.8Å; Y228-K503 VanDerWaalsContact O-NZ 3.16Å; R229-K503 PolarHBondContact O-NZ 3.06Å; D500-K503 PolarHBondContact O-N 3.15Å; W501-K503 VanDerWaalsContact C-N 3.35Å; W501-K503 PolarHBondContact O-N 3.18Å; K503-R808 PolarHBondContact O-NH2 2.98Å
504	N	95	Very high	94.2	Very high	73 Å²	73	57.1 Å²	57.1	39%	0.39	28%	0.283	S	S	.	.			trans	-134.3	73.1	177.4	-170.8	17.9	0	0	0	112.3	D500 W501 I506 M507	D500-N504 PolarHBondContact O-N 3.13Å; W501-N504 CarbonylContact O-C 3.54Å; W501-N504 PolarHBondContact O-N 3.21Å; N504-I506 PolarHBondContact O-N 3.07Å; N504-I506 WeakPolarHBondContact OD1-CG2 3.29Å; N504-M507 HydrophobicContact CB-CG 4.34Å; N504-M507 HydrophobicContact CB-SD 4.04Å; N504-M507 WeakPolarHBondContact O-CB 3.41Å; N504-M507 WeakPolarHBondContact O-CG 3.25Å; N504-M507 PolarHBondContact O-N 3.44Å
505	L	97.1	Very high	94.3	Very high	3 Å²	3	56 Å²	56	2%	0.016	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-60.3	-18.4	-171.2	-156.4	67.3	0	0	0	114.3	P477 W501 M507 L508 L673 G799	P477-L505 HydrophobicContact CB-CD1 3.73Å; P477-L505 HydrophobicContact CB-CD2 4.14Å; P477-L505 HydrophobicContact CG-CD1 4.2Å; P477-L505 HydrophobicContact CG-CD2 4.39Å; W501-L505 HydrophobicContact CE3-CD1 3.99Å; W501-L505 HydrophobicContact CZ3-CD1 4.16Å; W501-L505 WeakPolarHBondContact O-CA 3.49Å; W501-L505 PolarHBondContact O-N 3.24Å; W501-L505 VanDerWaalsContact O-N 3.08Å; L505-M507 PolarHBondContact O-N 2.93Å; L505-M507 VanDerWaalsContact O-N 3.13Å; L505-L508 HydrophobicContact CD1-CD1 3.61Å; L505-L508 HydrophobicContact CD1-CG 4.04Å; L505-L508 HydrophobicContact CG-CD1 3.81Å; L505-L508 HydrophobicContact CG-CG 4.28Å; L505-L508 WeakPolarHBondContact O-CB 3.1Å; L505-L508 WeakPolarHBondContact O-CG 3.41Å; L505-L508 PolarHBondContact O-N 2.86Å; L505-L508 VanDerWaalsContact O-N 3.08Å; L505-L673 HydrophobicContact CD1-CD1 4.44Å; L505-L673 HydrophobicContact CD2-CD1 4.11Å; L505-L673 HydrophobicContact CD2-CD2 4.42Å; L505-G799 VanDerWaalsContact C-CA 3.49Å; L505-G799 WeakPolarHBondContact O-CA 3.44Å
506	I	96.1	Very high	94.4	Very high	74 Å²	74	61 Å²	61	38%	0.379	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-59.7	-22.8	174.7	-155.1	62.7	0	0	0	112.8	N504 L508 N509	N504-I506 PolarHBondContact O-N 3.07Å; N504-I506 WeakPolarHBondContact OD1-CG2 3.29Å; I506-L508 PolarHBondContact O-N 3.03Å; I506-N509 WeakPolarHBondContact O-CB 3.4Å; I506-N509 PolarHBondContact O-N 3.41Å; I506-N509 PolarHBondContact O-ND2 3.46Å; I506-N509 VanDerWaalsContact O-ND2 3.15Å
507	M	96.7	Very high	94.7	Very high	43 Å²	43	62.8 Å²	62.8	21%	0.212	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.4	-20.5	176.1	-67.9	176.3	66	0	0	113	D500 W501 N504 L505 N509 R510	D500-M507 HydrophobicContact CB-CE 4.14Å; D500-M507 HydrophobicContact CB-SD 4.07Å; W501-M507 HydrophobicContact CB-CB 3.84Å; W501-M507 HydrophobicContact CB-SD 4.34Å; N504-M507 HydrophobicContact CB-CG 4.34Å; N504-M507 HydrophobicContact CB-SD 4.04Å; N504-M507 WeakPolarHBondContact O-CB 3.41Å; N504-M507 WeakPolarHBondContact O-CG 3.25Å; N504-M507 PolarHBondContact O-N 3.44Å; L505-M507 PolarHBondContact O-N 2.93Å; L505-M507 VanDerWaalsContact O-N 3.13Å; M507-N509 PolarHBondContact O-N 2.96Å; M507-R510 WeakPolarHBondContact O-CB 3.35Å; M507-R510 WeakPolarHBondContact O-CG 3.38Å; M507-R510 PolarHBondContact O-N 3.24Å
508	L	97.2	Very high	95	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-57.1	-21.7	173.9	-67.6	-174.4	0	0	0	112.8	I492 W501 L505 I506 R510 L511 L673 A796	I492-L508 HydrophobicContact CD1-CD2 4.12Å; I492-L508 HydrophobicContact CG2-CD2 3.86Å; W501-L508 HydrophobicContact CD2-CD2 4.34Å; W501-L508 HydrophobicContact CE3-CD2 3.92Å; W501-L508 HydrophobicContact CZ3-CD2 4.44Å; L505-L508 HydrophobicContact CD1-CD1 3.61Å; L505-L508 HydrophobicContact CD1-CG 4.04Å; L505-L508 HydrophobicContact CG-CD1 3.81Å; L505-L508 HydrophobicContact CG-CG 4.28Å; L505-L508 WeakPolarHBondContact O-CB 3.1Å; L505-L508 WeakPolarHBondContact O-CG 3.41Å; L505-L508 PolarHBondContact O-N 2.86Å; L505-L508 VanDerWaalsContact O-N 3.08Å; I506-L508 PolarHBondContact O-N 3.03Å; L508-R510 PolarHBondContact O-N 2.89Å; L508-R510 VanDerWaalsContact O-N 3.07Å; L508-L511 HydrophobicContact CB-CD1 4.42Å; L508-L511 HydrophobicContact CD2-CD1 3.97Å; L508-L511 VanDerWaalsContact O-CB 3.23Å; L508-L511 WeakPolarHBondContact O-CB 3.48Å; L508-L511 WeakPolarHBondContact O-CG 3.26Å; L508-L511 PolarHBondContact O-N 3.44Å; L508-L673 HydrophobicContact CD1-CD1 3.71Å; L508-A796 CarbonylContact C-O 3.53Å; L508-A796 VanDerWaalsContact C-O 3.31Å; L508-A796 WeakPolarHBondContact O-CA 3.44Å
509	N	96.3	Very high	95.4	Very high	48 Å²	48	59.8 Å²	59.8	26%	0.257	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-54.5	-27.9	173.4	-84.4	-52.8	0	0	0	113.3	I506 M507 L511 K512 A796	I506-N509 WeakPolarHBondContact O-CB 3.4Å; I506-N509 PolarHBondContact O-N 3.41Å; I506-N509 PolarHBondContact O-ND2 3.46Å; I506-N509 VanDerWaalsContact O-ND2 3.15Å; M507-N509 PolarHBondContact O-N 2.96Å; N509-L511 PolarHBondContact O-N 2.83Å; N509-K512 VanDerWaalsContact O-CB 3.26Å; N509-K512 WeakPolarHBondContact O-CB 3.4Å; N509-K512 WeakPolarHBondContact O-CG 3.45Å; N509-K512 PolarHBondContact O-N 3.16Å; N509-K512 VanDerWaalsContact O-N 3.08Å; N509-K512 VanDerWaalsContact OD1-CE 3.24Å; N509-K512 WeakPolarHBondContact OD1-CE 3.37Å; N509-K512 PolarHBondContact OD1-NZ 2.94Å; N509-A796 VanDerWaalsContact CA-O 3.29Å; N509-A796 WeakPolarHBondContact CA-O 3.29Å; N509-A796 PolarHBondContact N-O 3.3Å; N509-A796 VanDerWaalsContact N-O 3.13Å; N509-A796 PolarHBondContact OD1-O 2.91Å
510	R	95.8	Very high	95.9	Very high	114 Å²	114	58.2 Å²	58.2	43%	0.43	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.1	-23.1	176.4	-66.2	176	64.9	-167.2	-2.4	112.9	M496 M507 L508 K512 E513	M496-R510 HydrophobicContact CE-CB 3.87Å; M496-R510 HydrophobicContact SD-CB 3.93Å; M507-R510 WeakPolarHBondContact O-CB 3.35Å; M507-R510 WeakPolarHBondContact O-CG 3.38Å; M507-R510 PolarHBondContact O-N 3.24Å; L508-R510 PolarHBondContact O-N 2.89Å; L508-R510 VanDerWaalsContact O-N 3.07Å; R510-K512 PolarHBondContact O-N 2.79Å; R510-K512 VanDerWaalsContact O-N 3.11Å; R510-E513 WeakPolarHBondContact O-CB 3.42Å; R510-E513 WeakPolarHBondContact O-CG 3.41Å; R510-E513 PolarHBondContact O-N 2.76Å; R510-E513 VanDerWaalsContact O-N 3.08Å
511	L	96.9	Very high	96.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-62.3	-16.8	174	-63.9	173.1	0	0	0	112.9	I492 T495 M496 L508 N509 E513 K514 F520 L792 I795 A796	I492-L511 HydrophobicContact CD1-CD1 4.46Å; I492-L511 HydrophobicContact CG1-CD1 4.13Å; T495-L511 HydrophobicContact CG2-CD2 4.03Å; M496-L511 HydrophobicContact CE-CD2 3.75Å; M496-L511 HydrophobicContact CE-CG 4.27Å; L508-L511 HydrophobicContact CB-CD1 4.42Å; L508-L511 HydrophobicContact CD2-CD1 3.97Å; L508-L511 VanDerWaalsContact O-CB 3.23Å; L508-L511 WeakPolarHBondContact O-CB 3.48Å; L508-L511 WeakPolarHBondContact O-CG 3.26Å; L508-L511 PolarHBondContact O-N 3.44Å; N509-L511 PolarHBondContact O-N 2.83Å; L511-E513 PolarHBondContact O-N 3.05Å; L511-K514 WeakPolarHBondContact O-CB 3.38Å; L511-K514 PolarHBondContact O-N 3.39Å; L511-F520 HydrophobicContact CD2-CZ 4.16Å; L511-L792 HydrophobicContact CB-CD1 3.93Å; L511-I795 HydrophobicContact CD1-CG2 3.92Å; L511-A796 HydrophobicContact CB-CB 3.94Å
512	K	96	Very high	96.4	Very high	77 Å²	77	59 Å²	59	34%	0.335	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-57.4	-29	171.8	-67.4	175.1	-174.1	177.2	0	112.3	N509 R510 K514 L515 M793 A796	N509-K512 VanDerWaalsContact O-CB 3.26Å; N509-K512 WeakPolarHBondContact O-CB 3.4Å; N509-K512 WeakPolarHBondContact O-CG 3.45Å; N509-K512 PolarHBondContact O-N 3.16Å; N509-K512 VanDerWaalsContact O-N 3.08Å; N509-K512 VanDerWaalsContact OD1-CE 3.24Å; N509-K512 WeakPolarHBondContact OD1-CE 3.37Å; N509-K512 PolarHBondContact OD1-NZ 2.94Å; R510-K512 PolarHBondContact O-N 2.79Å; R510-K512 VanDerWaalsContact O-N 3.11Å; K512-K514 PolarHBondContact O-N 2.98Å; K512-K514 VanDerWaalsContact O-N 3.17Å; K512-L515 HydrophobicContact CB-CD1 4.12Å; K512-L515 HydrophobicContact CG-CD1 4.45Å; K512-L515 WeakPolarHBondContact O-CB 3.2Å; K512-L515 WeakPolarHBondContact O-CD1 3.38Å; K512-L515 WeakPolarHBondContact O-CG 3.39Å; K512-L515 PolarHBondContact O-N 2.78Å; K512-L515 VanDerWaalsContact O-N 3.11Å; K512-M793 HydrophobicContact CD-CE 4.34Å; K512-M793 HydrophobicContact CD-SD 4.21Å; K512-M793 VanDerWaalsContact CE-CE 3.5Å; K512-M793 HydrophobicContact CG-SD 4.05Å; K512-A796 HydrophobicContact CG-CB 3.81Å
513	E	96.3	Very high	96.5	Very high	149 Å²	149	65.1 Å²	65.1	70%	0.696	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-61.7	-22.2	175.2	-64.1	170.1	-164.8	0	0	112.5	R510 L511	R510-E513 WeakPolarHBondContact O-CB 3.42Å; R510-E513 WeakPolarHBondContact O-CG 3.41Å; R510-E513 PolarHBondContact O-N 2.76Å; R510-E513 VanDerWaalsContact O-N 3.08Å; L511-E513 PolarHBondContact O-N 3.05Å
514	K	96.8	Very high	96.8	Very high	69 Å²	69	62 Å²	62	30%	0.3	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-92.6	3.7	178.8	-59.8	-57.8	-169.6	173.4	0	114.1	T495 L511 K512 N516 D517 F520 L792	T495-K514 HydrophobicContact CG2-CG 4.03Å; L511-K514 WeakPolarHBondContact O-CB 3.38Å; L511-K514 PolarHBondContact O-N 3.39Å; K512-K514 PolarHBondContact O-N 2.98Å; K512-K514 VanDerWaalsContact O-N 3.17Å; K514-N516 PolarHBondContact O-N 2.89Å; K514-D517 HydrophobicContact CB-CB 4.34Å; K514-D517 HydrophobicContact CD-CB 4.12Å; K514-D517 IonicContact NZ-OD2 3.66Å; K514-D517 PolarHBondContact NZ-OD2 3.39Å; K514-D517 WeakPolarHBondContact O-CB 3.33Å; K514-D517 PolarHBondContact O-N 2.97Å; K514-F520 HydrophobicContact CB-CB 4.27Å; K514-F520 HydrophobicContact CB-CD1 3.64Å; K514-F520 HydrophobicContact CB-CD2 4.38Å; K514-F520 HydrophobicContact CB-CE1 4.09Å; K514-F520 HydrophobicContact CB-CG 3.81Å; K514-F520 HydrophobicContact CG-CD1 4.33Å; K514-F520 HydrophobicContact CG-CD2 4.2Å; K514-F520 HydrophobicContact CG-CG 4.1Å; K514-L792 HydrophobicContact CB-CD2 4.07Å
515	L	95.6	Very high	96.9	Very high	41 Å²	41	61.3 Å²	61.3	22%	0.215	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.4	-178.6	-77.8	168.6	0	0	0	113.8	K512 R521 K789 L792 M793	K512-L515 HydrophobicContact CB-CD1 4.12Å; K512-L515 HydrophobicContact CG-CD1 4.45Å; K512-L515 WeakPolarHBondContact O-CB 3.2Å; K512-L515 WeakPolarHBondContact O-CD1 3.38Å; K512-L515 WeakPolarHBondContact O-CG 3.39Å; K512-L515 PolarHBondContact O-N 2.78Å; K512-L515 VanDerWaalsContact O-N 3.11Å; L515-R521 WeakPolarHBondContact O-CD 3.35Å; L515-R521 PolarHBondContact O-NE 3.11Å; L515-K789 WeakPolarHBondContact O-CE 3.35Å; L515-L792 HydrophobicContact CD2-CB 4.19Å; L515-L792 HydrophobicContact CD2-CD2 4.08Å; L515-L792 HydrophobicContact CD2-CG 4.02Å; L515-L792 HydrophobicContact CG-CD2 4.41Å; L515-M793 HydrophobicContact CD1-SD 4.45Å; L515-M793 HydrophobicContact CD2-CB 4.32Å
516	N	96.6	Very high	97	Very high	133 Å²	133	66.3 Å²	66.3	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	2.6	178.9	-65.5	-41.2	0	0	0	113.4	K514 G518 K789	K514-N516 PolarHBondContact O-N 2.89Å; N516-G518 PolarHBondContact O-N 3.23Å; N516-K789 PolarHBondContact OD1-NZ 3.28Å
517	D	97.4	Very high	97.1	Very high	51 Å²	51	63.8 Å²	63.8	27%	0.273	31%	0.314	S	S	.	.			trans	-82.7	101.5	174.9	-174.6	-22.5	0	0	0	109.1	K514 N519 F520 R521	K514-D517 HydrophobicContact CB-CB 4.34Å; K514-D517 HydrophobicContact CD-CB 4.12Å; K514-D517 IonicContact NZ-OD2 3.66Å; K514-D517 PolarHBondContact NZ-OD2 3.39Å; K514-D517 WeakPolarHBondContact O-CB 3.33Å; K514-D517 PolarHBondContact O-N 2.97Å; D517-N519 VanDerWaalsContact C-N 3.3Å; D517-N519 PolarHBondContact O-N 3.05Å; D517-N519 WeakPolarHBondContact OD1-CB 3.47Å; D517-N519 PolarHBondContact OD1-N 3.14Å; D517-N519 VanDerWaalsContact OD1-N 3.09Å; D517-F520 HydrophobicContact CB-CB 3.86Å; D517-F520 PolarHBondContact O-N 3.35Å; D517-F520 PolarHBondContact OD1-N 3.45Å; D517-R521 WeakPolarHBondContact O-CG 3.47Å; D517-R521 PolarHBondContact O-N 3.28Å; D517-R521 VanDerWaalsContact O-N 3.11Å
518	G	97.1	Very high	97.2	Very high	29 Å²	29	62.4 Å²	62.4	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-36.7	179.4	0	0	0	0	0	113	N516 R521 N522	N516-G518 PolarHBondContact O-N 3.23Å; G518-R521 PolarHBondContact O-N 2.91Å; G518-N522 WeakPolarHBondContact O-CB 3.49Å; G518-N522 PolarHBondContact O-N 3.08Å; G518-N522 PolarHBondContact O-ND2 3.13Å; G518-N522 PolarHBondContact O-OD1 3.3Å
519	N	97	Very high	97.2	Very high	125 Å²	125	65 Å²	65	67%	0.668	32%	0.319	S	S	*	.	H	α-helix	trans	-68.6	-44	-179.7	-70.6	-23.1	0	0	0	111.1	D517 N522 R523	D517-N519 VanDerWaalsContact C-N 3.3Å; D517-N519 PolarHBondContact O-N 3.05Å; D517-N519 WeakPolarHBondContact OD1-CB 3.47Å; D517-N519 PolarHBondContact OD1-N 3.14Å; D517-N519 VanDerWaalsContact OD1-N 3.09Å; N519-N522 PolarHBondContact O-N 2.73Å; N519-R523 WeakPolarHBondContact O-CG 3.4Å; N519-R523 PolarHBondContact O-N 3.31Å
520	F	97.8	Very high	97.3	Very high	9 Å²	9	67.1 Å²	67.1	4%	0.039	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-46.2	175	-178.3	-88.6	0	0	0	111.5	L491 T495 L511 K514 D517 N522 R523 L524 L792	L491-F520 HydrophobicContact CD1-CD2 4.04Å; L491-F520 HydrophobicContact CD1-CE2 3.69Å; L491-F520 HydrophobicContact CD1-CZ 4.42Å; L491-F520 HydrophobicContact CD2-CE2 4.16Å; L491-F520 HydrophobicContact CD2-CZ 4.07Å; L491-F520 HydrophobicContact CG-CD2 4.49Å; L491-F520 HydrophobicContact CG-CE2 3.71Å; L491-F520 HydrophobicContact CG-CZ 3.99Å; T495-F520 HydrophobicContact CG2-CE2 4.22Å; T495-F520 WeakPolarHBondContact OG1-CE2 3.15Å; L511-F520 HydrophobicContact CD2-CZ 4.16Å; K514-F520 HydrophobicContact CB-CB 4.27Å; K514-F520 HydrophobicContact CB-CD1 3.64Å; K514-F520 HydrophobicContact CB-CD2 4.38Å; K514-F520 HydrophobicContact CB-CE1 4.09Å; K514-F520 HydrophobicContact CB-CG 3.81Å; K514-F520 HydrophobicContact CG-CD1 4.33Å; K514-F520 HydrophobicContact CG-CD2 4.2Å; K514-F520 HydrophobicContact CG-CG 4.1Å; D517-F520 HydrophobicContact CB-CB 3.86Å; D517-F520 PolarHBondContact O-N 3.35Å; D517-F520 PolarHBondContact OD1-N 3.45Å; F520-N522 PolarHBondContact O-N 3.36Å; F520-R523 PolarHBondContact O-N 2.92Å; F520-L524 HydrophobicContact CE1-CD2 4.47Å; F520-L524 PolarHBondContact O-N 2.79Å; F520-L792 HydrophobicContact CD1-CD1 4.48Å; F520-L792 HydrophobicContact CD1-CD2 3.9Å; F520-L792 HydrophobicContact CE1-CD1 3.6Å; F520-L792 HydrophobicContact CE1-CD2 3.85Å; F520-L792 HydrophobicContact CE1-CG 4.36Å; F520-L792 HydrophobicContact CZ-CD1 4.37Å
521	R	97.3	Very high	97.5	Very high	24 Å²	24	62 Å²	62	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-39.7	178.3	-73.8	-171.9	-62.4	144.7	-3.5	112.6	L515 D517 G518 L524 I525 V785 S788 L792	L515-R521 WeakPolarHBondContact O-CD 3.35Å; L515-R521 PolarHBondContact O-NE 3.11Å; D517-R521 WeakPolarHBondContact O-CG 3.47Å; D517-R521 PolarHBondContact O-N 3.28Å; D517-R521 VanDerWaalsContact O-N 3.11Å; G518-R521 PolarHBondContact O-N 2.91Å; R521-L524 WeakPolarHBondContact O-CB 3.47Å; R521-L524 PolarHBondContact O-N 3.21Å; R521-I525 WeakPolarHBondContact O-CG1 3.23Å; R521-I525 PolarHBondContact O-N 3.03Å; R521-V785 VanDerWaalsContact NH1-CG1 3.29Å; R521-V785 PolarHBondContact NH1-O 2.78Å; R521-S788 PolarHBondContact NH1-OG 2.9Å; R521-L792 HydrophobicContact CG-CD2 4.27Å
522	N	97.4	Very high	97.6	Very high	100 Å²	100	62 Å²	62	54%	0.535	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-45	175	-70.6	-11	0	0	0	111.4	G518 N519 F520 L524 I525 L526	G518-N522 WeakPolarHBondContact O-CB 3.49Å; G518-N522 PolarHBondContact O-N 3.08Å; G518-N522 PolarHBondContact O-ND2 3.13Å; G518-N522 PolarHBondContact O-OD1 3.3Å; N519-N522 PolarHBondContact O-N 2.73Å; F520-N522 PolarHBondContact O-N 3.36Å; N522-L524 VanDerWaalsContact C-N 3.31Å; N522-L524 PolarHBondContact O-N 3.08Å; N522-I525 PolarHBondContact O-N 3.27Å; N522-L526 WeakPolarHBondContact O-CG 3.13Å; N522-L526 PolarHBondContact O-N 3Å
523	R	97.9	Very high	97.7	Very high	130 Å²	130	61.6 Å²	61.6	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-40.1	174.3	-70.8	176.7	65.6	-160.9	-3.3	112.3	L491 N519 F520 L526 V527	L491-R523 HydrophobicContact CD1-CB 4.03Å; L491-R523 HydrophobicContact CD2-CB 4.43Å; N519-R523 WeakPolarHBondContact O-CG 3.4Å; N519-R523 PolarHBondContact O-N 3.31Å; F520-R523 PolarHBondContact O-N 2.92Å; R523-L526 PolarHBondContact O-N 2.83Å; R523-V527 WeakPolarHBondContact O-CG2 3.3Å; R523-V527 PolarHBondContact O-N 2.83Å
524	L	98.3	Very high	97.7	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-43.4	176.6	177.4	60.2	0	0	0	112.4	L488 L491 F520 R521 N522 V527 K528 V791 L792 I795	L488-L524 HydrophobicContact CD1-CD1 3.58Å; L491-L524 HydrophobicContact CD2-CB 3.89Å; L491-L524 HydrophobicContact CD2-CD1 4.12Å; F520-L524 HydrophobicContact CE1-CD2 4.47Å; F520-L524 PolarHBondContact O-N 2.79Å; R521-L524 WeakPolarHBondContact O-CB 3.47Å; R521-L524 PolarHBondContact O-N 3.21Å; N522-L524 VanDerWaalsContact C-N 3.31Å; N522-L524 PolarHBondContact O-N 3.08Å; L524-V527 PolarHBondContact O-N 3.41Å; L524-K528 PolarHBondContact O-N 2.85Å; L524-V791 HydrophobicContact CD2-CG1 3.9Å; L524-V791 HydrophobicContact CG-CG1 4.22Å; L524-L792 HydrophobicContact CD2-CB 3.85Å; L524-L792 HydrophobicContact CD2-CD1 4.26Å; L524-I795 HydrophobicContact CD1-CD1 3.71Å; L524-I795 HydrophobicContact CD2-CD1 4.24Å
525	I	98	Very high	97.7	Very high	58 Å²	58	56.3 Å²	56.3	30%	0.297	29%	0.285	S	S	.	.	H	α-helix	trans	-69	-36.3	176.7	-63.7	-57.1	0	0	0	111.5	R521 N522 V527 K528 Q529	R521-I525 WeakPolarHBondContact O-CG1 3.23Å; R521-I525 PolarHBondContact O-N 3.03Å; N522-I525 PolarHBondContact O-N 3.27Å; I525-V527 VanDerWaalsContact C-N 3.35Å; I525-V527 PolarHBondContact O-N 2.89Å; I525-K528 WeakPolarHBondContact O-CB 3.46Å; I525-K528 PolarHBondContact O-N 3.27Å; I525-K528 VanDerWaalsContact O-N 3.16Å; I525-Q529 PolarHBondContact O-N 3.18Å
526	L	98	Very high	97.9	Very high	108 Å²	108	55.5 Å²	55.5	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-59.5	-44.7	172.7	-71.6	171.7	0	0	0	111.7	N522 R523 K528 Q529 D530	N522-L526 WeakPolarHBondContact O-CG 3.13Å; N522-L526 PolarHBondContact O-N 3Å; R523-L526 PolarHBondContact O-N 2.83Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.03Å; L526-Q529 WeakPolarHBondContact O-CB 3.5Å; L526-Q529 PolarHBondContact O-N 2.82Å; L526-D530 PolarHBondContact O-N 3.31Å
527	V	98.5	Very high	97.9	Very high	21 Å²	21	51.6 Å²	51.6	13%	0.127	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-42.3	174.2	169.8	0	0	0	0	111.7	L488 R523 L524 I525 Q529 D530 N531	L488-V527 HydrophobicContact CB-CG1 3.97Å; R523-V527 WeakPolarHBondContact O-CG2 3.3Å; R523-V527 PolarHBondContact O-N 2.83Å; L524-V527 PolarHBondContact O-N 3.41Å; I525-V527 VanDerWaalsContact C-N 3.35Å; I525-V527 PolarHBondContact O-N 2.89Å; V527-Q529 VanDerWaalsContact C-N 3.34Å; V527-D530 PolarHBondContact O-N 3.45Å; V527-N531 PolarHBondContact O-N 3.24Å; V527-N531 PolarHBondContact O-ND2 2.91Å
528	K	98.6	Very high	97.8	Very high	15 Å²	15	49.9 Å²	49.9	7%	0.065	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-44.1	174.6	178.9	62.8	60.5	-179.3	0	111.2	L524 I525 L526 N531 K532 P648 T650 N674	L524-K528 PolarHBondContact O-N 2.85Å; I525-K528 WeakPolarHBondContact O-CB 3.46Å; I525-K528 PolarHBondContact O-N 3.27Å; I525-K528 VanDerWaalsContact O-N 3.16Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.03Å; K528-N531 WeakPolarHBondContact O-CB 3.3Å; K528-N531 PolarHBondContact O-N 3.32Å; K528-K532 HydrophobicContact CG-CD 4.31Å; K528-K532 WeakPolarHBondContact O-CG 3.3Å; K528-K532 PolarHBondContact O-N 3.42Å; K528-P648 WeakPolarHBondContact CD-O 3.35Å; K528-P648 PolarHBondContact NZ-O 3.13Å; K528-T650 WeakPolarHBondContact CE-O 3.42Å; K528-T650 PolarHBondContact NZ-O 2.95Å; K528-N674 PolarHBondContact NZ-O 2.94Å
529	Q	98.4	Very high	97.7	Very high	55 Å²	55	48.5 Å²	48.5	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-41	179.4	-168.4	58.6	43.2	0	0	112	I525 L526 V527 K532 N533 P549	I525-Q529 PolarHBondContact O-N 3.18Å; L526-Q529 WeakPolarHBondContact O-CB 3.5Å; L526-Q529 PolarHBondContact O-N 2.82Å; V527-Q529 VanDerWaalsContact C-N 3.34Å; Q529-K532 WeakPolarHBondContact O-CB 3.48Å; Q529-K532 PolarHBondContact O-N 3.44Å; Q529-N533 VanDerWaalsContact O-CG 3.26Å; Q529-N533 PolarHBondContact O-N 3.34Å; Q529-N533 PolarHBondContact O-ND2 3.09Å; Q529-P549 PolarHBondContact NE2-O 3.01Å
530	D	98.4	Very high	97.7	Very high	92 Å²	92	45.8 Å²	45.8	49%	0.492	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-41.2	175.2	-68.2	-23.1	0	0	0	111.6	L526 V527 K532 N533 R534	L526-D530 PolarHBondContact O-N 3.31Å; V527-D530 PolarHBondContact O-N 3.45Å; D530-K532 VanDerWaalsContact C-N 3.32Å; D530-K532 PolarHBondContact O-N 3.07Å; D530-N533 PolarHBondContact O-N 2.83Å; D530-R534 WeakPolarHBondContact O-CG 3.2Å; D530-R534 PolarHBondContact O-N 3.49Å
531	N	98.6	Very high	97.5	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-42	173.2	-69.2	-23.4	0	0	0	112.1	N485 V527 K528 R534 F535 P648 A649	N485-N531 PolarHBondContact ND2-ND2 3.03Å; N485-N531 PolarHBondContact OD1-ND2 2.98Å; V527-N531 PolarHBondContact O-N 3.24Å; V527-N531 PolarHBondContact O-ND2 2.91Å; K528-N531 WeakPolarHBondContact O-CB 3.3Å; K528-N531 PolarHBondContact O-N 3.32Å; N531-R534 PolarHBondContact O-N 2.94Å; N531-R534 PolarHBondContact OD1-NH2 3.15Å; N531-F535 PolarHBondContact O-N 3.39Å; N531-P648 HydrophobicContact CB-CB 4.02Å; N531-P648 WeakPolarHBondContact CB-O 3.43Å; N531-P648 WeakPolarHBondContact ND2-CB 3.47Å; N531-P648 PolarHBondContact ND2-O 3.5Å; N531-A649 HydrophobicContact CB-CB 4.48Å
532	K	98.7	Very high	97.2	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-47.1	175.1	-70.5	171.6	74.2	177.8	0	111.1	K528 Q529 D530 R534 F535 V536 P549 S551 F553 A649 D651	K528-K532 HydrophobicContact CG-CD 4.31Å; K528-K532 WeakPolarHBondContact O-CG 3.3Å; K528-K532 PolarHBondContact O-N 3.42Å; Q529-K532 WeakPolarHBondContact O-CB 3.48Å; Q529-K532 PolarHBondContact O-N 3.44Å; D530-K532 VanDerWaalsContact C-N 3.32Å; D530-K532 PolarHBondContact O-N 3.07Å; K532-R534 VanDerWaalsContact C-N 3.34Å; K532-R534 PolarHBondContact O-N 3.34Å; K532-F535 PolarHBondContact O-N 3.18Å; K532-F535 VanDerWaalsContact O-N 3.15Å; K532-V536 VanDerWaalsContact O-CG2 3.31Å; K532-V536 WeakPolarHBondContact O-CG2 3.32Å; K532-V536 PolarHBondContact O-N 3.31Å; K532-P549 HydrophobicContact CB-CB 4.43Å; K532-P549 WeakPolarHBondContact CE-O 3.38Å; K532-P549 PolarHBondContact NZ-O 3.25Å; K532-P549 VanDerWaalsContact NZ-O 3.1Å; K532-S551 WeakPolarHBondContact CE-O 3.41Å; K532-S551 PolarHBondContact NZ-O 3.19Å; K532-F553 HydrophobicContact CB-CE2 4.07Å; K532-F553 HydrophobicContact CD-CD2 4.44Å; K532-F553 HydrophobicContact CG-CD2 3.92Å; K532-F553 HydrophobicContact CG-CE2 3.95Å; K532-A649 HydrophobicContact CG-CB 4.21Å; K532-A649 WeakPolarHBondContact CG-O 3.49Å; K532-D651 VanDerWaalsContact CE-OD2 3.32Å; K532-D651 WeakPolarHBondContact CE-OD2 3.26Å; K532-D651 IonicContact NZ-OD1 2.91Å; K532-D651 IonicContact NZ-OD2 3.99Å; K532-D651 PolarHBondContact NZ-OD2 3.24Å
533	N	98.4	Very high	96.9	Very high	67 Å²	67	53.4 Å²	53.4	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-58.1	-44.9	177.4	-68.6	-27	0	0	0	111.9	Q529 D530 F535 V536 A537 P549	Q529-N533 VanDerWaalsContact O-CG 3.26Å; Q529-N533 PolarHBondContact O-N 3.34Å; Q529-N533 PolarHBondContact O-ND2 3.09Å; D530-N533 PolarHBondContact O-N 2.83Å; N533-F535 PolarHBondContact O-N 3.48Å; N533-V536 PolarHBondContact O-N 3.15Å; N533-A537 WeakPolarHBondContact O-CB 3.18Å; N533-A537 PolarHBondContact O-N 3.15Å; N533-P549 WeakPolarHBondContact OD1-CB 3.35Å
534	R	96.7	Very high	96.7	Very high	106 Å²	106	53.3 Å²	53.3	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-41.3	175.3	-70.2	-169.4	-64	164.9	0.4	112.5	D530 N531 K532 A537 Y538	D530-R534 WeakPolarHBondContact O-CG 3.2Å; D530-R534 PolarHBondContact O-N 3.49Å; N531-R534 PolarHBondContact O-N 2.94Å; N531-R534 PolarHBondContact OD1-NH2 3.15Å; K532-R534 VanDerWaalsContact C-N 3.34Å; K532-R534 PolarHBondContact O-N 3.34Å; R534-A537 PolarHBondContact O-N 2.95Å; R534-Y538 WeakPolarHBondContact O-CB 3.5Å; R534-Y538 PolarHBondContact O-N 3.13Å
535	F	97.9	Very high	96.5	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-43.1	175.2	-177.8	-104.6	0	0	0	111.9	N531 K532 N533 A537 Y538 M539 L547 F553 I594 L635 R645 I646 A649	N531-F535 PolarHBondContact O-N 3.39Å; K532-F535 PolarHBondContact O-N 3.18Å; K532-F535 VanDerWaalsContact O-N 3.15Å; N533-F535 PolarHBondContact O-N 3.48Å; F535-A537 PolarHBondContact O-N 2.84Å; F535-Y538 WeakPolarHBondContact O-CB 3.23Å; F535-Y538 PolarHBondContact O-N 3.22Å; F535-M539 HydrophobicContact CD1-CG 4.01Å; F535-M539 HydrophobicContact CD2-CG 4.36Å; F535-M539 HydrophobicContact CE1-CG 3.56Å; F535-M539 HydrophobicContact CE1-SD 4.14Å; F535-M539 HydrophobicContact CE2-CG 3.94Å; F535-M539 HydrophobicContact CE2-SD 3.87Å; F535-M539 HydrophobicContact CG-CG 4.39Å; F535-M539 HydrophobicContact CZ-CE 4.38Å; F535-M539 HydrophobicContact CZ-CG 3.51Å; F535-M539 HydrophobicContact CZ-SD 3.5Å; F535-M539 WeakPolarHBondContact CZ-SD 3.29Å; F535-M539 VanDerWaalsContact O-CG 3.24Å; F535-M539 WeakPolarHBondContact O-CG 3.4Å; F535-M539 PolarHBondContact O-N 3.01Å; F535-L547 HydrophobicContact CD1-CD1 4.11Å; F535-L547 HydrophobicContact CE1-CD1 3.72Å; F535-F553 HydrophobicContact CD1-CD2 4.48Å; F535-F553 AromaticContact CD1-CE2 3.83Å; F535-F553 HydrophobicContact CD1-CE2 3.83Å; F535-I594 HydrophobicContact CE1-CD1 3.95Å; F535-L635 HydrophobicContact CZ-CD1 4.25Å; F535-R645 HydrophobicContact CD2-CB 4.13Å; F535-I646 HydrophobicContact CD1-CD1 4.05Å; F535-I646 HydrophobicContact CD2-CB 4.38Å; F535-I646 HydrophobicContact CD2-CD1 4.29Å; F535-I646 HydrophobicContact CE1-CD1 3.66Å; F535-I646 HydrophobicContact CE2-CB 3.94Å; F535-I646 HydrophobicContact CE2-CD1 3.93Å; F535-I646 HydrophobicContact CE2-CG1 4.39Å; F535-I646 HydrophobicContact CG-CD1 4.35Å; F535-I646 HydrophobicContact CZ-CB 4.35Å; F535-I646 HydrophobicContact CZ-CD1 3.6Å; F535-I646 HydrophobicContact CZ-CG1 4.32Å; F535-A649 HydrophobicContact CB-CB 3.69Å; F535-A649 HydrophobicContact CG-CB 4.15Å
536	V	98	Very high	96.3	Very high	23 Å²	23	58.9 Å²	58.9	14%	0.139	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-45.8	175.4	173.8	0	0	0	0	111.2	K532 N533 Y538 M539 Q540 L547 P549 F553	K532-V536 VanDerWaalsContact O-CG2 3.31Å; K532-V536 WeakPolarHBondContact O-CG2 3.32Å; K532-V536 PolarHBondContact O-N 3.31Å; N533-V536 PolarHBondContact O-N 3.15Å; V536-Y538 VanDerWaalsContact C-N 3.35Å; V536-Y538 PolarHBondContact O-N 2.67Å; V536-M539 PolarHBondContact O-N 3.29Å; V536-Q540 PolarHBondContact O-N 2.99Å; V536-L547 HydrophobicContact CG1-CB 4.28Å; V536-L547 WeakPolarHBondContact CG1-O 3.43Å; V536-L547 HydrophobicContact CG2-CB 3.77Å; V536-P549 HydrophobicContact CG2-CB 3.92Å; V536-F553 HydrophobicContact CG2-CE2 4.41Å; V536-F553 HydrophobicContact CG2-CZ 3.81Å
537	A	97	Very high	96.3	Very high	51 Å²	51	54.4 Å²	54.4	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-45.3	176.6	0	0	0	0	0	111.8	N533 R534 F535 M539 Q540 Q541	N533-A537 WeakPolarHBondContact O-CB 3.18Å; N533-A537 PolarHBondContact O-N 3.15Å; R534-A537 PolarHBondContact O-N 2.95Å; F535-A537 PolarHBondContact O-N 2.84Å; A537-M539 PolarHBondContact O-N 3.48Å; A537-Q540 PolarHBondContact O-N 3.45Å; A537-Q541 PolarHBondContact O-N 2.58Å
538	Y	95.2	Very high	96.2	Very high	15 Å²	15	56.2 Å²	56.2	6%	0.059	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-46.4	175.5	174.1	-95.1	0	0	0	112.3	R534 F535 V536 Q540 Q541 H542 L642	R534-Y538 WeakPolarHBondContact O-CB 3.5Å; R534-Y538 PolarHBondContact O-N 3.13Å; F535-Y538 WeakPolarHBondContact O-CB 3.23Å; F535-Y538 PolarHBondContact O-N 3.22Å; V536-Y538 VanDerWaalsContact C-N 3.35Å; V536-Y538 PolarHBondContact O-N 2.67Å; Y538-Q540 VanDerWaalsContact C-N 3.3Å; Y538-Q540 PolarHBondContact O-N 3.31Å; Y538-Q541 PolarHBondContact O-N 3.02Å; Y538-H542 AromaticContact CD2-CE1 3.82Å; Y538-H542 AromaticContact CD2-CG 3.95Å; Y538-H542 AromaticContact CD2-ND1 3.41Å; Y538-H542 WeakPolarHBondContact CD2-ND1 3.48Å; Y538-H542 HydrophobicContact CE2-CB 4.17Å; Y538-H542 AromaticContact CE2-CG 3.72Å; Y538-H542 AromaticContact CE2-ND1 3.66Å; Y538-H542 WeakPolarHBondContact O-CB 3.28Å; Y538-H542 PolarHBondContact O-N 3.33Å; Y538-H542 PolarHBondContact O-ND1 3.47Å; Y538-L642 HydrophobicContact CE1-CD1 3.71Å
539	M	96.5	Very high	96.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-36.3	179.2	-68.6	-61.2	-68	0	0	112	F535 V536 A537 R543 N544 I545 L547 I633 L635	F535-M539 HydrophobicContact CD1-CG 4.01Å; F535-M539 HydrophobicContact CD2-CG 4.36Å; F535-M539 HydrophobicContact CE1-CG 3.56Å; F535-M539 HydrophobicContact CE1-SD 4.14Å; F535-M539 HydrophobicContact CE2-CG 3.94Å; F535-M539 HydrophobicContact CE2-SD 3.87Å; F535-M539 HydrophobicContact CG-CG 4.39Å; F535-M539 HydrophobicContact CZ-CE 4.38Å; F535-M539 HydrophobicContact CZ-CG 3.51Å; F535-M539 HydrophobicContact CZ-SD 3.5Å; F535-M539 WeakPolarHBondContact CZ-SD 3.29Å; F535-M539 VanDerWaalsContact O-CG 3.24Å; F535-M539 WeakPolarHBondContact O-CG 3.4Å; F535-M539 PolarHBondContact O-N 3.01Å; V536-M539 PolarHBondContact O-N 3.29Å; A537-M539 PolarHBondContact O-N 3.48Å; M539-R543 CarbonylContact O-C 3.56Å; M539-R543 WeakPolarHBondContact O-CA 3.34Å; M539-R543 WeakPolarHBondContact O-CB 3.42Å; M539-R543 PolarHBondContact O-N 3.32Å; M539-R543 VanDerWaalsContact O-N 3.14Å; M539-N544 PolarHBondContact O-N 3.08Å; M539-I545 CarbonylContact C-O 3.42Å; M539-I545 HydrophobicContact CB-CB 4.47Å; M539-I545 HydrophobicContact CE-CB 4.18Å; M539-I545 HydrophobicContact CE-CD1 3.7Å; M539-I545 HydrophobicContact CE-CG2 4.31Å; M539-I545 PolarHBondContact O-N 3.04Å; M539-I545 VanDerWaalsContact O-N 3.08Å; M539-L547 HydrophobicContact CB-CD1 4.14Å; M539-L547 HydrophobicContact CG-CD1 3.89Å; M539-I633 HydrophobicContact CE-CD1 3.83Å; M539-L635 HydrophobicContact CE-CD1 3.76Å; M539-L635 HydrophobicContact SD-CD1 3.79Å
540	Q	96.3	Very high	96	Very high	68 Å²	68	58.2 Å²	58.2	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-68.4	-52.4	175	-175.3	56.3	33.5	0	0	111.6	V536 A537 Y538 N544	V536-Q540 PolarHBondContact O-N 2.99Å; A537-Q540 PolarHBondContact O-N 3.45Å; Y538-Q540 VanDerWaalsContact C-N 3.3Å; Y538-Q540 PolarHBondContact O-N 3.31Å; Q540-N544 PolarHBondContact NE2-OD1 2.85Å; Q540-N544 VanDerWaalsContact O-CA 3.29Å; Q540-N544 WeakPolarHBondContact O-CA 3.29Å; Q540-N544 PolarHBondContact O-N 3.47Å; Q540-N544 VanDerWaalsContact O-N 3.1Å
541	Q	93.1	Very high	96	Very high	158 Å²	158	54 Å²	54	74%	0.738	28%	0.277	S	S	*	.	H	α-helix	trans	-65	-44.5	-177.4	-93	178.7	-40.4	0	0	113.4	A537 Y538	A537-Q541 PolarHBondContact O-N 2.58Å; Y538-Q541 PolarHBondContact O-N 3.02Å
542	H	91	Very high	95.9	Very high	95 Å²	95	53.7 Å²	53.7	44%	0.44	28%	0.275	S	S	.	.	H	α-helix	trans	-100.4	-15.7	-167.6	-63.2	79.9	0	0	0	113.6	Y538	Y538-H542 AromaticContact CD2-CE1 3.82Å; Y538-H542 AromaticContact CD2-CG 3.95Å; Y538-H542 AromaticContact CD2-ND1 3.41Å; Y538-H542 WeakPolarHBondContact CD2-ND1 3.48Å; Y538-H542 HydrophobicContact CE2-CB 4.17Å; Y538-H542 AromaticContact CE2-CG 3.72Å; Y538-H542 AromaticContact CE2-ND1 3.66Å; Y538-H542 WeakPolarHBondContact O-CB 3.28Å; Y538-H542 PolarHBondContact O-N 3.33Å; Y538-H542 PolarHBondContact O-ND1 3.47Å
543	R	91.7	Very high	96	Very high	40 Å²	40	53.6 Å²	53.6	15%	0.151	28%	0.275	C	S	.	.	H	α-helix	trans	-133.9	-4.8	-174.9	-56.3	-173.5	177.9	-145.4	-5.8	113.8	M539 I545 L635 R636 L642	M539-R543 CarbonylContact O-C 3.56Å; M539-R543 WeakPolarHBondContact O-CA 3.34Å; M539-R543 WeakPolarHBondContact O-CB 3.42Å; M539-R543 PolarHBondContact O-N 3.32Å; M539-R543 VanDerWaalsContact O-N 3.14Å; R543-I545 HydrophobicContact CB-CD1 3.98Å; R543-I545 HydrophobicContact CB-CG1 4.18Å; R543-I545 PolarHBondContact O-N 3.25Å; R543-L635 VanDerWaalsContact NH1-CD1 3.34Å; R543-R636 VanDerWaalsContact CZ-O 3.3Å; R543-R636 PolarHBondContact NH1-O 2.74Å; R543-R636 PolarHBondContact NH2-O 3.21Å; R543-L642 VanDerWaalsContact NH2-CD2 3.26Å
544	N	94.4	Very high	96	Very high	128 Å²	128	50.4 Å²	50.4	68%	0.684	26%	0.258	S	S	*	.			trans	52.8	40.4	-175.7	-165.6	34.7	0	0	0	112.9	M539 Q540	M539-N544 PolarHBondContact O-N 3.08Å; Q540-N544 PolarHBondContact NE2-OD1 2.85Å; Q540-N544 VanDerWaalsContact O-CA 3.29Å; Q540-N544 WeakPolarHBondContact O-CA 3.29Å; Q540-N544 PolarHBondContact O-N 3.47Å; Q540-N544 VanDerWaalsContact O-N 3.1Å
545	I	93.6	Very high	96.1	Very high	43 Å²	43	45.4 Å²	45.4	22%	0.221	24%	0.239	C	C	.	.			trans	-112.4	115.2	178.1	-65	169.1	0	0	0	108.8	M539 R543 L547 I633	M539-I545 CarbonylContact C-O 3.42Å; M539-I545 HydrophobicContact CB-CB 4.47Å; M539-I545 HydrophobicContact CE-CB 4.18Å; M539-I545 HydrophobicContact CE-CD1 3.7Å; M539-I545 HydrophobicContact CE-CG2 4.31Å; M539-I545 PolarHBondContact O-N 3.04Å; M539-I545 VanDerWaalsContact O-N 3.08Å; R543-I545 HydrophobicContact CB-CD1 3.98Å; R543-I545 HydrophobicContact CB-CG1 4.18Å; R543-I545 PolarHBondContact O-N 3.25Å; I545-L547 HydrophobicContact CG2-CD2 3.71Å; I545-L547 HydrophobicContact CG2-CG 4.06Å; I545-I633 HydrophobicContact CG2-CG2 4.13Å
546	Q	94.4	Very high	96.1	Very high	142 Å²	142	45.6 Å²	45.6	66%	0.664	24%	0.24	S	C	*	.			trans	-80.9	126.8	173.1	-67.9	-178.6	-4.5	0	0	110.8	K631	Q546-K631 WeakPolarHBondContact O-CE 3.45Å; Q546-K631 PolarHBondContact O-NZ 2.72Å
547	L	96.4	Very high	96.1	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.073	24%	0.235	C	C	.	.			trans	-125.5	147.4	178.2	-60.4	-178.2	0	0	0	110.1	F535 V536 M539 I545 P549 F553 T592 K631 I633	F535-L547 HydrophobicContact CD1-CD1 4.11Å; F535-L547 HydrophobicContact CE1-CD1 3.72Å; V536-L547 HydrophobicContact CG1-CB 4.28Å; V536-L547 WeakPolarHBondContact CG1-O 3.43Å; V536-L547 HydrophobicContact CG2-CB 3.77Å; M539-L547 HydrophobicContact CB-CD1 4.14Å; M539-L547 HydrophobicContact CG-CD1 3.89Å; I545-L547 HydrophobicContact CG2-CD2 3.71Å; I545-L547 HydrophobicContact CG2-CG 4.06Å; L547-P549 WeakPolarHBondContact O-CD 3.48Å; L547-F553 HydrophobicContact CB-CZ 4.43Å; L547-F553 HydrophobicContact CD1-CZ 4.47Å; L547-T592 HydrophobicContact CD2-CG2 3.87Å; L547-K631 HydrophobicContact CD2-CD 3.91Å; L547-I633 HydrophobicContact CD1-CD1 4.33Å; L547-I633 HydrophobicContact CD2-CD1 4.19Å; L547-I633 HydrophobicContact CD2-CG2 4.3Å
548	N	96.2	Very high	96	Very high	59 Å²	59	43.7 Å²	43.7	32%	0.316	22%	0.221	S	C	.	.			trans	-89.3	108.9	174.4	177.9	-0.3	0	0	0	109.9	S550 S551 F553	N548-S550 PolarHBondContact O-N 3.49Å; N548-S550 WeakPolarHBondContact OD1-CB 3.46Å; N548-S550 PolarHBondContact OD1-N 3.04Å; N548-S551 WeakPolarHBondContact O-CB 3.43Å; N548-S551 PolarHBondContact O-N 3.31Å; N548-S551 VanDerWaalsContact O-N 3.1Å; N548-S551 PolarHBondContact O-OG 3.32Å; N548-F553 WeakPolarHBondContact O-CE1 3.27Å
549	P	96.9	Very high	95.9	Very high	31 Å²	31	48.2 Å²	48.2	20%	0.201	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.3	-177.6	31.7	-37.2	0	0	0	113.4	Q529 K532 N533 V536 L547	Q529-P549 PolarHBondContact NE2-O 3.01Å; K532-P549 HydrophobicContact CB-CB 4.43Å; K532-P549 WeakPolarHBondContact CE-O 3.38Å; K532-P549 PolarHBondContact NZ-O 3.25Å; K532-P549 VanDerWaalsContact NZ-O 3.1Å; N533-P549 WeakPolarHBondContact OD1-CB 3.35Å; V536-P549 HydrophobicContact CG2-CB 3.92Å; L547-P549 WeakPolarHBondContact O-CD 3.48Å
550	S	96.3	Very high	95.8	Very high	81 Å²	81	48.4 Å²	48.4	57%	0.566	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.6	173.9	-53.8	0	0	0	0	113.2	N548	N548-S550 PolarHBondContact O-N 3.49Å; N548-S550 WeakPolarHBondContact OD1-CB 3.46Å; N548-S550 PolarHBondContact OD1-N 3.04Å
551	S	97.8	Very high	95.7	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-73.1	152.3	176.5	69.1	0	0	0	0	111.9	K532 N548 F553 P590 T592	K532-S551 WeakPolarHBondContact CE-O 3.41Å; K532-S551 PolarHBondContact NZ-O 3.19Å; N548-S551 WeakPolarHBondContact O-CB 3.43Å; N548-S551 PolarHBondContact O-N 3.31Å; N548-S551 VanDerWaalsContact O-N 3.1Å; N548-S551 PolarHBondContact O-OG 3.32Å; S551-F553 PolarHBondContact O-N 3.43Å; S551-P590 CarbonylContact C-O 3.56Å; S551-P590 VanDerWaalsContact CA-O 3.25Å; S551-P590 WeakPolarHBondContact CA-O 3.47Å; S551-P590 VanDerWaalsContact CB-O 3.32Å; S551-P590 WeakPolarHBondContact CB-O 3.49Å; S551-T592 WeakPolarHBondContact OG-CB 3.28Å; S551-T592 PolarHBondContact OG-OG1 3.03Å
552	L	98.5	Very high	95.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	121.2	170.6	-176	158.7	0	0	0	109	D554 P590 R591 T592 D651 L652 V777 Y781 W787	L552-D554 HydrophobicContact CD2-CB 3.66Å; L552-D554 PolarHBondContact O-N 3.44Å; L552-P590 PolarHBondContact N-O 3.15Å; L552-R591 HydrophobicContact CB-CG 4.37Å; L552-R591 HydrophobicContact CD2-CG 4.09Å; L552-T592 PolarHBondContact O-N 3.23Å; L552-D651 HydrophobicContact CG-CB 4.25Å; L552-L652 HydrophobicContact CD2-CB 3.97Å; L552-V777 HydrophobicContact CD1-CG1 3.85Å; L552-Y781 HydrophobicContact CB-CD1 4.32Å; L552-Y781 HydrophobicContact CB-CD2 4.45Å; L552-Y781 HydrophobicContact CB-CE1 4.01Å; L552-Y781 HydrophobicContact CB-CE2 4.15Å; L552-Y781 HydrophobicContact CD1-CD1 4.14Å; L552-Y781 HydrophobicContact CD1-CD2 3.65Å; L552-Y781 HydrophobicContact CD1-CE2 4.14Å; L552-Y781 HydrophobicContact CD1-CG 3.65Å; L552-Y781 HydrophobicContact CG-CD2 4.11Å; L552-Y781 HydrophobicContact CG-CE2 4.08Å; L552-Y781 HydrophobicContact CG-CG 4.42Å; L552-W787 HydrophobicContact CD1-CH2 4.44Å
553	F	98.8	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.3	174	-79.6	11.2	0	0	0	110.1	K532 F535 V536 L547 N548 S551 V555 T592 I594 A649 D651 L652	K532-F553 HydrophobicContact CB-CE2 4.07Å; K532-F553 HydrophobicContact CD-CD2 4.44Å; K532-F553 HydrophobicContact CG-CD2 3.92Å; K532-F553 HydrophobicContact CG-CE2 3.95Å; F535-F553 HydrophobicContact CD1-CD2 4.48Å; F535-F553 AromaticContact CD1-CE2 3.83Å; F535-F553 HydrophobicContact CD1-CE2 3.83Å; V536-F553 HydrophobicContact CG2-CE2 4.41Å; V536-F553 HydrophobicContact CG2-CZ 3.81Å; L547-F553 HydrophobicContact CB-CZ 4.43Å; L547-F553 HydrophobicContact CD1-CZ 4.47Å; N548-F553 WeakPolarHBondContact O-CE1 3.27Å; S551-F553 PolarHBondContact O-N 3.43Å; F553-V555 HydrophobicContact CB-CG2 4.38Å; F553-T592 HydrophobicContact CD1-CG2 4.42Å; F553-T592 HydrophobicContact CE1-CG2 4.35Å; F553-I594 HydrophobicContact CD2-CD1 4.38Å; F553-I594 HydrophobicContact CG-CD1 4.4Å; F553-A649 HydrophobicContact CD2-CB 4.32Å; F553-A649 WeakPolarHBondContact CD2-O 3.24Å; F553-D651 PolarHBondContact N-OD2 3.17Å; F553-D651 PolarHBondContact O-N 3.14Å; F553-D651 VanDerWaalsContact O-N 3.14Å; F553-L652 PolarHBondContact O-N 3.42Å
554	D	98.8	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	106.8	-175.9	-168	-18.2	0	0	0	109.4	L552 R591 T592 I593 I594 E654 Q774	L552-D554 HydrophobicContact CD2-CB 3.66Å; L552-D554 PolarHBondContact O-N 3.44Å; D554-R591 HydrophobicContact CB-CG 4.1Å; D554-R591 IonicContact OD2-CZ 2.83Å; D554-R591 IonicContact OD2-NH1 3.2Å; D554-R591 PolarHBondContact OD2-NH1 3.1Å; D554-T592 PolarHBondContact N-O 3.05Å; D554-I593 HydrophobicContact CB-CG1 4.34Å; D554-I593 CarbonylContact O-C 3.55Å; D554-I593 WeakPolarHBondContact O-CA 3.42Å; D554-I594 PolarHBondContact O-N 2.7Å; D554-E654 VanDerWaalsContact OD1-CG 3.27Å; D554-E654 WeakPolarHBondContact OD1-CG 3.42Å; D554-Q774 PolarHBondContact OD2-NE2 2.99Å
555	V	98.9	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.2	-158.9	-176.7	0	0	0	0	113	F553 V557 I594 I646 T650 L652 E654 F671	F553-V555 HydrophobicContact CB-CG2 4.38Å; V555-V557 HydrophobicContact CG1-CB 4.37Å; V555-V557 HydrophobicContact CG1-CG1 3.74Å; V555-V557 HydrophobicContact CG1-CG2 3.9Å; V555-I594 WeakPolarHBondContact CA-O 3.43Å; V555-I594 HydrophobicContact CG2-CB 4.12Å; V555-I594 HydrophobicContact CG2-CD1 4.15Å; V555-I594 HydrophobicContact CG2-CG1 4.43Å; V555-I646 HydrophobicContact CG1-CD1 4.43Å; V555-I646 HydrophobicContact CG1-CG1 3.84Å; V555-I646 HydrophobicContact CG2-CD1 4.04Å; V555-I646 HydrophobicContact CG2-CG1 4.32Å; V555-T650 HydrophobicContact CB-CG2 3.7Å; V555-T650 HydrophobicContact CG2-CG2 3.66Å; V555-T650 VanDerWaalsContact CG2-OG1 3.28Å; V555-T650 WeakPolarHBondContact CG2-OG1 3.26Å; V555-L652 PolarHBondContact N-O 3.33Å; V555-E654 PolarHBondContact O-N 3.23Å; V555-F671 HydrophobicContact CG1-CE1 4.42Å; V555-F671 HydrophobicContact CG1-CZ 4.13Å
556	H	98.7	Very high	96.6	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.028	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	88.2	171.3	-168.9	102.7	0	0	0	110.7	K564 P569 I594 I595 G596 E654	H556-K564 PolarHBondContact CE1-O 2.82Å; H556-P569 HydrophobicContact CB-CG 4.32Å; H556-I594 PolarHBondContact N-O 3.45Å; H556-I595 HydrophobicContact CB-CG1 4.32Å; H556-I595 HydrophobicContact CB-CG2 4.46Å; H556-I595 CarbonylContact O-C 3.54Å; H556-I595 VanDerWaalsContact O-CA 3.32Å; H556-I595 WeakPolarHBondContact O-CA 3.45Å; H556-G596 PolarHBondContact O-N 3.37Å; H556-E654 HydrophobicContact CB-CB 3.74Å; H556-E654 HydrophobicContact CB-CG 4.21Å; H556-E654 WeakPolarHBondContact ND1-CB 3.36Å
557	V	97.8	Very high	96.7	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.042	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.8	179.2	-65	0	0	0	0	112.8	V555 G596 L635 Y638 I646 F671	V555-V557 HydrophobicContact CG1-CB 4.37Å; V555-V557 HydrophobicContact CG1-CG1 3.74Å; V555-V557 HydrophobicContact CG1-CG2 3.9Å; V557-G596 VanDerWaalsContact CA-O 3.3Å; V557-G596 WeakPolarHBondContact CA-O 2.94Å; V557-L635 HydrophobicContact CG1-CD2 4.13Å; V557-Y638 HydrophobicContact CB-CD2 3.92Å; V557-Y638 HydrophobicContact CB-CE1 4.34Å; V557-Y638 HydrophobicContact CB-CE2 3.61Å; V557-Y638 HydrophobicContact CB-CG 4.41Å; V557-Y638 HydrophobicContact CG1-CD2 4.25Å; V557-Y638 HydrophobicContact CG1-CE2 4.23Å; V557-Y638 HydrophobicContact CG2-CD2 4.45Å; V557-Y638 HydrophobicContact CG2-CE2 3.66Å; V557-I646 HydrophobicContact CG2-CG2 4.36Å; V557-F671 HydrophobicContact CG2-CE2 4.14Å; V557-F671 HydrophobicContact CG2-CZ 3.69Å
558	K	95.1	Very high	96.8	Very high	28 Å²	28	22.2 Å²	22.2	12%	0.122	11%	0.112	C	C	.	.	S	Bend	trans	-171.1	174.3	-179.9	57.9	-161.9	81.2	-177.2	0	110.2	V560 K564 G596 G597 E654	K558-V560 PolarHBondContact O-N 3.37Å; K558-K564 HydrophobicContact CB-CD 4.4Å; K558-K564 HydrophobicContact CD-CB 4.12Å; K558-K564 HydrophobicContact CD-CD 3.74Å; K558-K564 HydrophobicContact CD-CG 4.33Å; K558-K564 HydrophobicContact CG-CD 3.88Å; K558-G596 PolarHBondContact N-O 3.5Å; K558-G597 WeakPolarHBondContact O-CA 3.25Å; K558-E654 PolarHBondContact NZ-O 2.96Å
559	R	92.8	Very high	96.9	Very high	109 Å²	109	19.4 Å²	19.4	41%	0.411	10%	0.097	S	C	.	.			trans	-53.1	133.7	172.2	-168.9	175.5	-179.7	-179.2	3.1	110	L561 K564 K598	R559-L561 HydrophobicContact CB-CD1 4.49Å; R559-L561 HydrophobicContact CG-CD1 4.3Å; R559-L561 HydrophobicContact CG-CD2 4.43Å; R559-L561 HydrophobicContact CG-CG 4.11Å; R559-L561 PolarHBondContact O-N 3.48Å; R559-K564 WeakPolarHBondContact O-CD 3.17Å; R559-K598 WeakPolarHBondContact CG-O 3.06Å
560	V	95.1	Very high	97	Very high	4 Å²	4	18 Å²	18	2%	0.024	9%	0.088	C	C	.	.			trans	-79.1	108.6	-179.4	-177.5	0	0	0	0	108.4	K558 P566 K598 A599 A606 I610 F634	K558-V560 PolarHBondContact O-N 3.37Å; V560-P566 HydrophobicContact CG1-CG 4.15Å; V560-K598 PolarHBondContact N-O 2.88Å; V560-A599 HydrophobicContact CB-CB 4.36Å; V560-A606 HydrophobicContact CG1-CB 4.17Å; V560-A606 WeakPolarHBondContact O-CB 3.44Å; V560-I610 HydrophobicContact CB-CD1 4.31Å; V560-I610 HydrophobicContact CB-CG1 4.37Å; V560-I610 HydrophobicContact CG1-CD1 4.44Å; V560-I610 HydrophobicContact CG1-CG1 4.03Å; V560-I610 HydrophobicContact CG2-CD1 4Å; V560-I610 HydrophobicContact CG2-CG1 4.02Å; V560-F634 HydrophobicContact CG2-CZ 4.43Å
561	L	93.1	Very high	97.1	Very high	22 Å²	22	14.3 Å²	14.3	12%	0.115	6%	0.062	C	C	.	.			trans	-139.2	145.6	179.1	-62.2	172.2	0	0	0	108.6	R559 Y563 K564 P566 Y603	R559-L561 HydrophobicContact CB-CD1 4.49Å; R559-L561 HydrophobicContact CG-CD1 4.3Å; R559-L561 HydrophobicContact CG-CD2 4.43Å; R559-L561 HydrophobicContact CG-CG 4.11Å; R559-L561 PolarHBondContact O-N 3.48Å; L561-Y563 VanDerWaalsContact C-N 3.3Å; L561-Y563 HydrophobicContact CB-CD1 3.98Å; L561-Y563 HydrophobicContact CB-CE1 4.02Å; L561-Y563 HydrophobicContact CD1-CD1 4.2Å; L561-Y563 HydrophobicContact CD1-CE1 3.39Å; L561-Y563 HydrophobicContact CG-CE1 4.3Å; L561-Y563 PolarHBondContact O-N 2.87Å; L561-K564 HydrophobicContact CB-CB 4.47Å; L561-K564 HydrophobicContact CB-CD 4.49Å; L561-K564 HydrophobicContact CB-CG 4.21Å; L561-K564 HydrophobicContact CD1-CD 4.3Å; L561-K564 PolarHBondContact O-N 3.5Å; L561-K564 VanDerWaalsContact O-N 3.1Å; L561-P566 VanDerWaalsContact O-CD 3.31Å; L561-P566 WeakPolarHBondContact O-CD 3.36Å; L561-Y603 HydrophobicContact CD2-CD1 3.82Å; L561-Y603 HydrophobicContact CD2-CE1 3.57Å
562	E	95.4	Very high	97.2	Very high	36 Å²	36	14.4 Å²	14.4	17%	0.168	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-55.9	-43.8	-179.3	-66.2	-177.2	61.1	0	0	111.8	K564 R565 Y603 M605 I609 F761	E562-K564 VanDerWaalsContact C-N 3.26Å; E562-K564 PolarHBondContact O-N 2.67Å; E562-R565 WeakPolarHBondContact O-CA 3.14Å; E562-R565 PolarHBondContact O-N 3.46Å; E562-Y603 HydrophobicContact CG-CE2 4.4Å; E562-Y603 WeakPolarHBondContact CG-OH 3.49Å; E562-Y603 WeakPolarHBondContact OE2-CE2 3.24Å; E562-Y603 PolarHBondContact OE2-OH 2.98Å; E562-M605 HydrophobicContact CG-CB 4.33Å; E562-M605 HydrophobicContact CG-CG 3.8Å; E562-M605 VanDerWaalsContact OE2-CB 3.28Å; E562-M605 WeakPolarHBondContact OE2-CB 3.33Å; E562-M605 VanDerWaalsContact OE2-CG 3.25Å; E562-M605 WeakPolarHBondContact OE2-CG 3.5Å; E562-I609 HydrophobicContact CG-CD1 4.13Å; E562-F761 HydrophobicContact CB-CD2 3.49Å; E562-F761 VanDerWaalsContact CB-CD2 3.49Å; E562-F761 HydrophobicContact CB-CE2 3.31Å; E562-F761 HydrophobicContact CB-CZ 4.35Å; E562-F761 HydrophobicContact CG-CE2 4.4Å
563	Y	94.6	Very high	97.2	Very high	44 Å²	44	14.4 Å²	14.4	17%	0.173	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-67.6	-22.6	-179.6	82.7	-106.6	0	0	0	114.3	L561 R565 P657 C658 T661 E662	L561-Y563 VanDerWaalsContact C-N 3.3Å; L561-Y563 HydrophobicContact CB-CD1 3.98Å; L561-Y563 HydrophobicContact CB-CE1 4.02Å; L561-Y563 HydrophobicContact CD1-CD1 4.2Å; L561-Y563 HydrophobicContact CD1-CE1 3.39Å; L561-Y563 HydrophobicContact CG-CE1 4.3Å; L561-Y563 PolarHBondContact O-N 2.87Å; Y563-R565 PolarHBondContact O-N 3.41Å; Y563-P657 HydrophobicContact CD2-CB 4.27Å; Y563-P657 CarbonylContact O-C 3.59Å; Y563-P657 VanDerWaalsContact O-CA 3.27Å; Y563-P657 WeakPolarHBondContact O-CA 3.46Å; Y563-C658 PolarHBondContact O-N 2.67Å; Y563-T661 WeakPolarHBondContact CD2-OG1 3.38Å; Y563-E662 VanDerWaalsContact CE2-OE2 3.28Å; Y563-E662 WeakPolarHBondContact CE2-OE2 3.31Å; Y563-E662 PolarHBondContact OH-OE2 2.89Å; Y563-E662 VanDerWaalsContact OH-OE2 3.07Å
564	K	96.2	Very high	97.2	Very high	23 Å²	23	14.4 Å²	14.4	10%	0.1	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-78	-5.6	174.4	-66.6	-167.7	176.5	-131.8	0	112.1	H556 K558 R559 L561 E562 P566 E662	H556-K564 PolarHBondContact CE1-O 2.82Å; K558-K564 HydrophobicContact CB-CD 4.4Å; K558-K564 HydrophobicContact CD-CB 4.12Å; K558-K564 HydrophobicContact CD-CD 3.74Å; K558-K564 HydrophobicContact CD-CG 4.33Å; K558-K564 HydrophobicContact CG-CD 3.88Å; R559-K564 WeakPolarHBondContact O-CD 3.17Å; L561-K564 HydrophobicContact CB-CB 4.47Å; L561-K564 HydrophobicContact CB-CD 4.49Å; L561-K564 HydrophobicContact CB-CG 4.21Å; L561-K564 HydrophobicContact CD1-CD 4.3Å; L561-K564 PolarHBondContact O-N 3.5Å; L561-K564 VanDerWaalsContact O-N 3.1Å; E562-K564 VanDerWaalsContact C-N 3.26Å; E562-K564 PolarHBondContact O-N 2.67Å; K564-P566 VanDerWaalsContact C-CD 3.4Å; K564-E662 WeakPolarHBondContact CE-OE2 3.43Å; K564-E662 VanDerWaalsContact NZ-CD 3.29Å; K564-E662 IonicContact NZ-OE1 3.29Å; K564-E662 PolarHBondContact NZ-OE1 2.91Å; K564-E662 IonicContact NZ-OE2 3.51Å; K564-E662 PolarHBondContact NZ-OE2 2.86Å
565	R	97.9	Very high	97.2	Very high	1 Å²	1	14.5 Å²	14.5	0%	0.004	6%	0.062	C	C	.	.			trans	49.5	48.1	173.2	-56.6	-174.1	-61.9	177.6	2.7	115.4	E562 Y563 L567 L568 P569 I656 P657 F761 V763 D766	E562-R565 WeakPolarHBondContact O-CA 3.14Å; E562-R565 PolarHBondContact O-N 3.46Å; Y563-R565 PolarHBondContact O-N 3.41Å; R565-L567 PolarHBondContact O-N 3.31Å; R565-L568 HydrophobicContact CB-CD1 3.93Å; R565-L568 HydrophobicContact CB-CG 4.14Å; R565-L568 PolarHBondContact O-N 3.31Å; R565-P569 WeakPolarHBondContact O-CD 3.37Å; R565-I656 PolarHBondContact NE-O 2.79Å; R565-I656 PolarHBondContact NH2-O 3Å; R565-I656 WeakPolarHBondContact O-CD1 3.5Å; R565-P657 PolarHBondContact NH2-O 3.49Å; R565-F761 WeakPolarHBondContact CD-O 3.46Å; R565-F761 HydrophobicContact CG-CB 4.39Å; R565-V763 HydrophobicContact CB-CG2 4.46Å; R565-V763 HydrophobicContact CG-CG2 4.02Å; R565-D766 IonicContact CZ-OD2 3.34Å; R565-D766 IonicContact NH1-OD2 2.67Å; R565-D766 PolarHBondContact NH1-OD2 3.39Å; R565-D766 IonicContact NH2-OD2 3.68Å
566	P	98.1	Very high	97.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.5	170	26.9	-34.2	0	0	0	113	V560 L561 K564 L568 P569 C570 I595 I609 I613	V560-P566 HydrophobicContact CG1-CG 4.15Å; L561-P566 VanDerWaalsContact O-CD 3.31Å; L561-P566 WeakPolarHBondContact O-CD 3.36Å; K564-P566 VanDerWaalsContact C-CD 3.4Å; P566-L568 VanDerWaalsContact C-N 3.34Å; P566-P569 WeakPolarHBondContact O-CD 3.39Å; P566-P569 WeakPolarHBondContact O-CG 3.49Å; P566-C570 PolarHBondContact O-N 3.38Å; P566-I595 HydrophobicContact CB-CG2 4.26Å; P566-I609 HydrophobicContact CB-CG2 4.43Å; P566-I609 HydrophobicContact CG-CG2 3.93Å; P566-I613 HydrophobicContact CB-CD1 4.4Å
567	L	98.1	Very high	97.1	Very high	11 Å²	11	14.8 Å²	14.8	6%	0.058	6%	0.064	C	C	.	.	H	α-helix	trans	-65.6	-30.2	170.8	-73.1	170.9	0	0	0	113.6	R565 C570 L571 I609 L612 L751 L755 V763	R565-L567 PolarHBondContact O-N 3.31Å; L567-C570 WeakPolarHBondContact O-CB 3.35Å; L567-C570 PolarHBondContact O-N 2.84Å; L567-L571 WeakPolarHBondContact O-CB 3.35Å; L567-L571 VanDerWaalsContact O-CG 3.25Å; L567-L571 WeakPolarHBondContact O-CG 3.34Å; L567-L571 PolarHBondContact O-N 2.91Å; L567-I609 HydrophobicContact CD1-CD1 4.05Å; L567-I609 HydrophobicContact CD1-CG1 4.16Å; L567-I609 HydrophobicContact CD2-CG1 4.06Å; L567-I609 HydrophobicContact CD2-CG2 4.03Å; L567-I609 HydrophobicContact CG-CD1 4.15Å; L567-I609 HydrophobicContact CG-CG1 4.06Å; L567-I609 HydrophobicContact CG-CG2 4.16Å; L567-L612 HydrophobicContact CD2-CD2 3.81Å; L567-L751 HydrophobicContact CD1-CD1 3.95Å; L567-L751 HydrophobicContact CD2-CD2 4.25Å; L567-L755 HydrophobicContact CD1-CD1 4.3Å; L567-L755 HydrophobicContact CD1-CD2 4.13Å; L567-V763 HydrophobicContact CB-CG1 4.34Å
568	L	98.5	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-54.4	178.6	-79.3	174.9	0	0	0	112.6	R565 P566 C570 L571 Y572 I656 F701 V763 Y770	R565-L568 HydrophobicContact CB-CD1 3.93Å; R565-L568 HydrophobicContact CB-CG 4.14Å; R565-L568 PolarHBondContact O-N 3.31Å; P566-L568 VanDerWaalsContact C-N 3.34Å; L568-C570 PolarHBondContact O-N 3.14Å; L568-L571 PolarHBondContact O-N 2.92Å; L568-L571 VanDerWaalsContact O-N 3.16Å; L568-Y572 PolarHBondContact O-N 2.83Å; L568-I656 HydrophobicContact CB-CD1 3.81Å; L568-I656 HydrophobicContact CD1-CD1 4.16Å; L568-F701 HydrophobicContact CD1-CE2 4.26Å; L568-F701 HydrophobicContact CD1-CZ 4.31Å; L568-V763 HydrophobicContact CD2-CG1 3.91Å; L568-V763 HydrophobicContact CG-CG1 4.18Å; L568-Y770 HydrophobicContact CB-CD1 4.07Å; L568-Y770 HydrophobicContact CB-CE1 3.89Å; L568-Y770 HydrophobicContact CD2-CD1 4.11Å; L568-Y770 HydrophobicContact CD2-CG 4.5Å; L568-Y770 WeakPolarHBondContact O-CE1 3.43Å
569	P	98.6	Very high	97.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-27.5	175.7	22.4	-32.4	0	0	0	112.3	H556 R565 P566 A573 I593 I595 I656 Y770	H556-P569 HydrophobicContact CB-CG 4.32Å; R565-P569 WeakPolarHBondContact O-CD 3.37Å; P566-P569 WeakPolarHBondContact O-CD 3.39Å; P566-P569 WeakPolarHBondContact O-CG 3.49Å; P569-A573 PolarHBondContact O-N 2.89Å; P569-I593 HydrophobicContact CB-CG2 4.35Å; P569-I595 HydrophobicContact CB-CD1 4.18Å; P569-I595 HydrophobicContact CG-CD1 3.97Å; P569-I595 HydrophobicContact CG-CG1 4.41Å; P569-I656 VanDerWaalsContact CD-CD1 3.47Å; P569-I656 HydrophobicContact CG-CD1 4.23Å; P569-Y770 WeakPolarHBondContact CA-OH 3.3Å
570	C	98.6	Very high	97.5	Very high	1 Å²	1	13 Å²	13	1%	0.007	6%	0.057	C	C	.	.	H	α-helix	trans	-66.8	-46.6	171.9	-172.7	0	0	0	0	112	P566 L567 L568 Y572 A573 I574 I595 I613	P566-C570 PolarHBondContact O-N 3.38Å; L567-C570 WeakPolarHBondContact O-CB 3.35Å; L567-C570 PolarHBondContact O-N 2.84Å; L568-C570 PolarHBondContact O-N 3.14Å; C570-Y572 VanDerWaalsContact C-N 3.32Å; C570-Y572 PolarHBondContact O-N 3.42Å; C570-A573 WeakPolarHBondContact O-CB 3.43Å; C570-A573 PolarHBondContact O-N 2.77Å; C570-I574 WeakPolarHBondContact O-CG1 3.33Å; C570-I574 PolarHBondContact O-N 2.74Å; C570-I595 HydrophobicContact CB-CD1 4.41Å; C570-I613 HydrophobicContact CB-CG1 4.12Å
571	L	98.7	Very high	97.5	Very high	3 Å²	3	17 Å²	17	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-36.9	175	-71.5	170.5	0	0	0	111.5	L567 L568 I574 T575 L728 C731 L732 I735 V763 Y767	L567-L571 WeakPolarHBondContact O-CB 3.35Å; L567-L571 VanDerWaalsContact O-CG 3.25Å; L567-L571 WeakPolarHBondContact O-CG 3.34Å; L567-L571 PolarHBondContact O-N 2.91Å; L568-L571 PolarHBondContact O-N 2.92Å; L568-L571 VanDerWaalsContact O-N 3.16Å; L571-I574 PolarHBondContact O-N 2.94Å; L571-T575 WeakPolarHBondContact O-CB 3.12Å; L571-T575 PolarHBondContact O-N 2.87Å; L571-T575 PolarHBondContact O-OG1 2.93Å; L571-L728 HydrophobicContact CD1-CD1 4.22Å; L571-C731 HydrophobicContact CD2-CB 3.8Å; L571-L732 HydrophobicContact CD2-CD2 4.22Å; L571-I735 HydrophobicContact CD2-CD1 4.07Å; L571-V763 HydrophobicContact CD1-CG1 3.72Å; L571-Y767 HydrophobicContact CB-CD2 4.19Å; L571-Y767 HydrophobicContact CB-CE2 3.98Å; L571-Y767 HydrophobicContact CD1-CD2 4.32Å
572	Y	98.7	Very high	97.7	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-46.2	171.2	171.9	-97.9	0	0	0	111.4	L568 C570 I574 T575 M576 R591 I593 Y770 M771 Q774	L568-Y572 PolarHBondContact O-N 2.83Å; C570-Y572 VanDerWaalsContact C-N 3.32Å; C570-Y572 PolarHBondContact O-N 3.42Å; Y572-I574 VanDerWaalsContact C-N 3.33Å; Y572-I574 PolarHBondContact O-N 2.9Å; Y572-T575 WeakPolarHBondContact O-CB 3.33Å; Y572-T575 PolarHBondContact O-N 3.38Å; Y572-T575 VanDerWaalsContact O-N 3.15Å; Y572-M576 HydrophobicContact CD1-CG 4.33Å; Y572-M576 HydrophobicContact CD2-CG 4.22Å; Y572-M576 HydrophobicContact CE1-CG 3.88Å; Y572-M576 HydrophobicContact CE2-CG 3.75Å; Y572-M576 HydrophobicContact CE2-SD 3.96Å; Y572-M576 HydrophobicContact CG-CG 4.48Å; Y572-M576 WeakPolarHBondContact O-CG 3.26Å; Y572-M576 PolarHBondContact O-N 2.85Å; Y572-R591 VanDerWaalsContact OH-CZ 3.26Å; Y572-R591 PolarHBondContact OH-NH1 2.89Å; Y572-I593 HydrophobicContact CD1-CD1 3.67Å; Y572-I593 HydrophobicContact CE1-CD1 3.88Å; Y572-Y770 HydrophobicContact CG-CE1 4.5Å; Y572-M771 HydrophobicContact CD2-CE 3.75Å; Y572-M771 HydrophobicContact CD2-SD 3.67Å; Y572-M771 HydrophobicContact CE2-CE 4.12Å; Y572-Q774 HydrophobicContact CD2-CB 4.04Å; Y572-Q774 HydrophobicContact CD2-CG 3.87Å; Y572-Q774 HydrophobicContact CE2-CB 3.63Å; Y572-Q774 HydrophobicContact CE2-CG 3.88Å; Y572-Q774 HydrophobicContact CG-CG 4.45Å
573	A	98.6	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-43.9	175.5	0	0	0	0	0	112.1	P569 C570 M576 Y577 I593 I620 L632	P569-A573 PolarHBondContact O-N 2.89Å; C570-A573 WeakPolarHBondContact O-CB 3.43Å; C570-A573 PolarHBondContact O-N 2.77Å; A573-M576 PolarHBondContact O-N 2.67Å; A573-Y577 WeakPolarHBondContact O-CB 3.26Å; A573-Y577 PolarHBondContact O-N 2.83Å; A573-I593 HydrophobicContact CB-CD1 3.63Å; A573-I620 HydrophobicContact CB-CD1 4.11Å; A573-L632 HydrophobicContact CB-CD2 4.01Å
574	I	98.7	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-44.4	175.2	-66.3	170.1	0	0	0	111.1	C570 L571 Y572 M576 Y577 N578 V616 C731 I735 Y740	C570-I574 WeakPolarHBondContact O-CG1 3.33Å; C570-I574 PolarHBondContact O-N 2.74Å; L571-I574 PolarHBondContact O-N 2.94Å; Y572-I574 VanDerWaalsContact C-N 3.33Å; Y572-I574 PolarHBondContact O-N 2.9Å; I574-M576 PolarHBondContact O-N 2.82Å; I574-Y577 WeakPolarHBondContact O-CB 3.19Å; I574-Y577 PolarHBondContact O-N 2.77Å; I574-N578 WeakPolarHBondContact O-CB 3.42Å; I574-N578 VanDerWaalsContact O-CG 3.28Å; I574-N578 PolarHBondContact O-N 3.12Å; I574-N578 PolarHBondContact O-ND2 3.16Å; I574-V616 HydrophobicContact CD1-CG2 3.96Å; I574-V616 HydrophobicContact CG1-CG1 3.77Å; I574-V616 HydrophobicContact CG1-CG2 4.07Å; I574-C731 HydrophobicContact CB-CB 4.49Å; I574-C731 HydrophobicContact CG2-CB 3.82Å; I574-C731 VanDerWaalsContact CG2-SG 3.51Å; I574-I735 HydrophobicContact CD1-CD1 3.97Å; I574-I735 HydrophobicContact CD1-CG1 4.2Å; I574-Y740 HydrophobicContact CD1-CE2 3.8Å; I574-Y740 HydrophobicContact CG1-CE1 4.44Å; I574-Y740 HydrophobicContact CG1-CE2 4.25Å; I574-Y740 WeakPolarHBondContact CG1-OH 3.24Å; I574-Y740 WeakPolarHBondContact CG2-OH 3.46Å
575	T	98.5	Very high	97.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-47.1	179.9	-54.1	0	0	0	0	110.8	L571 Y572 Y577 N578 R579 E727 C731 Y767 M771	L571-T575 WeakPolarHBondContact O-CB 3.12Å; L571-T575 PolarHBondContact O-N 2.87Å; L571-T575 PolarHBondContact O-OG1 2.93Å; Y572-T575 WeakPolarHBondContact O-CB 3.33Å; Y572-T575 PolarHBondContact O-N 3.38Å; Y572-T575 VanDerWaalsContact O-N 3.15Å; T575-Y577 VanDerWaalsContact C-N 3.34Å; T575-Y577 PolarHBondContact O-N 3.12Å; T575-N578 PolarHBondContact O-N 2.89Å; T575-R579 WeakPolarHBondContact O-CG 3.3Å; T575-R579 PolarHBondContact O-N 3.46Å; T575-E727 HydrophobicContact CG2-CB 4.29Å; T575-C731 PolarHBondContact OG1-SG 2.64Å; T575-C731 VanDerWaalsContact OG1-SG 3.35Å; T575-Y767 WeakPolarHBondContact CG2-OH 3.14Å; T575-Y767 PolarHBondContact OG1-OH 2.9Å; T575-M771 HydrophobicContact CG2-CE 3.66Å; T575-M771 HydrophobicContact CG2-SD 4.45Å
576	M	98.2	Very high	97.5	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.034	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-38.4	177.7	-65.7	-51	-65.3	0	0	112.1	Y572 A573 I574 R579 L580 M586 M588 L630	Y572-M576 HydrophobicContact CD1-CG 4.33Å; Y572-M576 HydrophobicContact CD2-CG 4.22Å; Y572-M576 HydrophobicContact CE1-CG 3.88Å; Y572-M576 HydrophobicContact CE2-CG 3.75Å; Y572-M576 HydrophobicContact CE2-SD 3.96Å; Y572-M576 HydrophobicContact CG-CG 4.48Å; Y572-M576 WeakPolarHBondContact O-CG 3.26Å; Y572-M576 PolarHBondContact O-N 2.85Å; A573-M576 PolarHBondContact O-N 2.67Å; I574-M576 PolarHBondContact O-N 2.82Å; M576-R579 PolarHBondContact O-N 2.89Å; M576-L580 WeakPolarHBondContact O-CB 3.42Å; M576-L580 WeakPolarHBondContact O-CG 3.39Å; M576-L580 PolarHBondContact O-N 3.29Å; M576-M586 HydrophobicContact CE-CE 3.92Å; M576-M588 HydrophobicContact CE-CE 3.73Å; M576-M588 HydrophobicContact CE-SD 4.02Å; M576-L630 HydrophobicContact CB-CD1 4.44Å; M576-L630 HydrophobicContact CB-CD2 3.92Å
577	Y	98.2	Very high	97.2	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-49.4	171.8	175.3	-105.4	0	0	0	111.3	A573 I574 T575 R579 L580 K581 I619 I620 D623 T626 Y739	A573-Y577 WeakPolarHBondContact O-CB 3.26Å; A573-Y577 PolarHBondContact O-N 2.83Å; I574-Y577 WeakPolarHBondContact O-CB 3.19Å; I574-Y577 PolarHBondContact O-N 2.77Å; T575-Y577 VanDerWaalsContact C-N 3.34Å; T575-Y577 PolarHBondContact O-N 3.12Å; Y577-R579 PolarHBondContact O-N 3.37Å; Y577-L580 WeakPolarHBondContact O-CB 3.46Å; Y577-L580 PolarHBondContact O-N 2.82Å; Y577-K581 HydrophobicContact CD1-CG 4.31Å; Y577-K581 HydrophobicContact CD2-CG 4.4Å; Y577-K581 HydrophobicContact CE1-CD 4.45Å; Y577-K581 HydrophobicContact CE1-CG 3.9Å; Y577-K581 HydrophobicContact CE2-CD 3.93Å; Y577-K581 HydrophobicContact CE2-CG 3.98Å; Y577-K581 WeakPolarHBondContact O-CG 3.48Å; Y577-K581 PolarHBondContact O-N 2.92Å; Y577-I619 HydrophobicContact CE1-CG2 4.23Å; Y577-I619 HydrophobicContact CE2-CG2 4.46Å; Y577-I620 HydrophobicContact CD2-CG1 4.06Å; Y577-I620 HydrophobicContact CG-CG1 4.27Å; Y577-D623 HydrophobicContact CE2-CB 3.92Å; Y577-D623 WeakPolarHBondContact CE2-OD2 3.41Å; Y577-D623 PolarHBondContact OH-OD2 3.2Å; Y577-T626 HydrophobicContact CD2-CG2 3.66Å; Y577-T626 HydrophobicContact CE2-CG2 3.93Å; Y577-Y739 HydrophobicContact CE1-CE1 4.01Å; Y577-Y739 PolarHBondContact OH-OH 3.22Å
578	N	98.2	Very high	96.9	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.118	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-41.3	178.7	-71.5	-24.6	0	0	0	112.5	I574 T575 K581 A582 L730 Q734	I574-N578 WeakPolarHBondContact O-CB 3.42Å; I574-N578 VanDerWaalsContact O-CG 3.28Å; I574-N578 PolarHBondContact O-N 3.12Å; I574-N578 PolarHBondContact O-ND2 3.16Å; T575-N578 PolarHBondContact O-N 2.89Å; N578-K581 PolarHBondContact O-N 3.19Å; N578-A582 WeakPolarHBondContact O-CB 3.37Å; N578-A582 PolarHBondContact O-N 2.9Å; N578-L730 HydrophobicContact CB-CD2 4.19Å; N578-Q734 PolarHBondContact ND2-OE1 2.86Å; N578-Q734 PolarHBondContact OD1-NE2 2.8Å; N578-Q734 PolarHBondContact OD1-OE1 2.97Å
579	R	97.8	Very high	96.8	Very high	86 Å²	86	41.8 Å²	41.8	33%	0.325	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-43.1	174.1	-72	176.4	-179.8	-178.4	-0	112.1	T575 M576 Y577 A582 N583 M586 E727	T575-R579 WeakPolarHBondContact O-CG 3.3Å; T575-R579 PolarHBondContact O-N 3.46Å; M576-R579 PolarHBondContact O-N 2.89Å; Y577-R579 PolarHBondContact O-N 3.37Å; R579-A582 PolarHBondContact O-N 3.45Å; R579-N583 PolarHBondContact O-N 2.96Å; R579-M586 HydrophobicContact CB-CE 3.93Å; R579-M586 HydrophobicContact CB-SD 3.97Å; R579-E727 IonicContact CZ-OE1 3.74Å; R579-E727 VanDerWaalsContact CZ-OE1 3.27Å; R579-E727 IonicContact CZ-OE2 2.74Å; R579-E727 IonicContact NE-OE1 2.76Å; R579-E727 PolarHBondContact NE-OE1 3.22Å; R579-E727 IonicContact NE-OE2 3.74Å; R579-E727 VanDerWaalsContact NH2-CD 3.28Å; R579-E727 IonicContact NH2-OE1 2.74Å; R579-E727 PolarHBondContact NH2-OE1 3.49Å; R579-E727 IonicContact NH2-OE2 3.67Å; R579-E727 PolarHBondContact NH2-OE2 2.99Å
580	L	97.3	Very high	96.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-37.4	175	-77.4	170	0	0	0	112.4	M576 Y577 N583 P584 M586 M588 I625 K629 L630	M576-L580 WeakPolarHBondContact O-CB 3.42Å; M576-L580 WeakPolarHBondContact O-CG 3.39Å; M576-L580 PolarHBondContact O-N 3.29Å; Y577-L580 WeakPolarHBondContact O-CB 3.46Å; Y577-L580 PolarHBondContact O-N 2.82Å; L580-N583 CarbonylContact O-C 3.36Å; L580-N583 PolarHBondContact O-N 3.3Å; L580-P584 WeakPolarHBondContact O-CA 3.49Å; L580-P584 WeakPolarHBondContact O-CD 3.32Å; L580-M586 HydrophobicContact CD2-CE 3.84Å; L580-M586 HydrophobicContact CG-CE 3.87Å; L580-M588 HydrophobicContact CD1-SD 3.86Å; L580-M588 HydrophobicContact CD2-SD 3.87Å; L580-M588 HydrophobicContact CG-SD 4.03Å; L580-I625 HydrophobicContact CB-CG2 4.14Å; L580-K629 HydrophobicContact CD1-CB 4.37Å; L580-K629 HydrophobicContact CD2-CD 3.83Å; L580-L630 HydrophobicContact CD1-CB 3.97Å; L580-L630 HydrophobicContact CD1-CD2 4.33Å
581	K	96.8	Very high	96.7	Very high	87 Å²	87	44.1 Å²	44.1	38%	0.378	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-38.7	174.4	-66.9	-62.3	-71.2	-166.6	0	112.3	Y577 N578 D623 I625	Y577-K581 HydrophobicContact CD1-CG 4.31Å; Y577-K581 HydrophobicContact CD2-CG 4.4Å; Y577-K581 HydrophobicContact CE1-CD 4.45Å; Y577-K581 HydrophobicContact CE1-CG 3.9Å; Y577-K581 HydrophobicContact CE2-CD 3.93Å; Y577-K581 HydrophobicContact CE2-CG 3.98Å; Y577-K581 WeakPolarHBondContact O-CG 3.48Å; Y577-K581 PolarHBondContact O-N 2.92Å; N578-K581 PolarHBondContact O-N 3.19Å; K581-D623 VanDerWaalsContact CD-OD2 3.28Å; K581-D623 WeakPolarHBondContact CD-OD2 3.48Å; K581-D623 WeakPolarHBondContact CE-OD2 3.43Å; K581-D623 IonicContact NZ-OD1 3.67Å; K581-D623 IonicContact NZ-OD2 2.76Å; K581-D623 PolarHBondContact NZ-OD2 2.97Å; K581-I625 HydrophobicContact CD-CD1 3.91Å
582	A	97.2	Very high	96.7	Very high	90 Å²	90	44.1 Å²	44.1	74%	0.744	23%	0.228	S	C	*	.	H	α-helix	trans	-71.9	-33.9	177.1	0	0	0	0	0	112.6	N578 R579	N578-A582 WeakPolarHBondContact O-CB 3.37Å; N578-A582 PolarHBondContact O-N 2.9Å; R579-A582 PolarHBondContact O-N 3.45Å
583	N	97	Very high	96.7	Very high	82 Å²	82	44 Å²	44	44%	0.439	23%	0.227	S	C	.	.			trans	-140.8	88.5	177.1	-178.7	8.6	0	0	0	111	R579 L580 E585 M586	R579-N583 PolarHBondContact O-N 2.96Å; L580-N583 CarbonylContact O-C 3.36Å; L580-N583 PolarHBondContact O-N 3.3Å; N583-E585 PolarHBondContact O-N 2.94Å; N583-E585 VanDerWaalsContact O-N 3.14Å; N583-E585 PolarHBondContact OD1-N 3.17Å; N583-M586 HydrophobicContact CB-CB 4.32Å; N583-M586 WeakPolarHBondContact O-CB 3.21Å; N583-M586 PolarHBondContact O-N 3.32Å; N583-M586 PolarHBondContact OD1-N 2.72Å
584	P	94.6	Very high	96.7	Very high	52 Å²	52	44 Å²	44	34%	0.338	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.7	180	-28.8	37.1	0	0	0	114.1	L580 M586 I625 K629	L580-P584 WeakPolarHBondContact O-CA 3.49Å; L580-P584 WeakPolarHBondContact O-CD 3.32Å; P584-M586 VanDerWaalsContact C-N 3.29Å; P584-M586 PolarHBondContact O-N 3.27Å; P584-I625 HydrophobicContact CB-CG2 4.1Å; P584-I625 HydrophobicContact CG-CD1 4.35Å; P584-I625 HydrophobicContact CG-CG2 4.42Å; P584-K629 PolarHBondContact O-NZ 3.05Å
585	E	93.5	Very high	96.7	Very high	156 Å²	156	44 Å²	44	73%	0.729	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	6.5	179.6	-61.7	-54.1	134.8	0	0	113.6	N583 K587	N583-E585 PolarHBondContact O-N 2.94Å; N583-E585 VanDerWaalsContact O-N 3.14Å; N583-E585 PolarHBondContact OD1-N 3.17Å; E585-K587 PolarHBondContact O-N 2.93Å
586	M	93.5	Very high	96.7	Very high	43 Å²	43	44 Å²	44	21%	0.212	23%	0.227	C	C	.	.			trans	-56.2	123.6	177.7	-177.9	179.1	70.1	0	0	111.1	M576 R579 L580 N583 P584 M588	M576-M586 HydrophobicContact CE-CE 3.92Å; R579-M586 HydrophobicContact CB-CE 3.93Å; R579-M586 HydrophobicContact CB-SD 3.97Å; L580-M586 HydrophobicContact CD2-CE 3.84Å; L580-M586 HydrophobicContact CG-CE 3.87Å; N583-M586 HydrophobicContact CB-CB 4.32Å; N583-M586 WeakPolarHBondContact O-CB 3.21Å; N583-M586 PolarHBondContact O-N 3.32Å; N583-M586 PolarHBondContact OD1-N 2.72Å; P584-M586 VanDerWaalsContact C-N 3.29Å; P584-M586 PolarHBondContact O-N 3.27Å; M586-M588 HydrophobicContact CE-CB 4.37Å; M586-M588 HydrophobicContact CE-CG 4.47Å; M586-M588 HydrophobicContact CE-SD 3.9Å; M586-M588 PolarHBondContact O-N 3.5Å
587	K	91.3	Very high	96.6	Very high	197 Å²	197	43.7 Å²	43.7	86%	0.857	23%	0.226	S	C	*	.			trans	-75.5	117.3	171.4	-66.6	-175.7	179.5	-179.4	0	109.4	E585	E585-K587 PolarHBondContact O-N 2.93Å
588	M	93.6	Very high	96.4	Very high	25 Å²	25	44.2 Å²	44.2	12%	0.123	23%	0.229	C	C	.	.			trans	-138.9	159.1	174	64.4	177.7	-73.7	0	0	110.3	M576 L580 M586 P590 K629	M576-M588 HydrophobicContact CE-CE 3.73Å; M576-M588 HydrophobicContact CE-SD 4.02Å; L580-M588 HydrophobicContact CD1-SD 3.86Å; L580-M588 HydrophobicContact CD2-SD 3.87Å; L580-M588 HydrophobicContact CG-SD 4.03Å; M586-M588 HydrophobicContact CE-CB 4.37Å; M586-M588 HydrophobicContact CE-CG 4.47Å; M586-M588 HydrophobicContact CE-SD 3.9Å; M586-M588 PolarHBondContact O-N 3.5Å; M588-P590 WeakPolarHBondContact O-CD 3.38Å; M588-K629 HydrophobicContact SD-CB 4.24Å
589	C	94.9	Very high	96.2	Very high	14 Å²	14	43.3 Å²	43.3	10%	0.095	22%	0.224	C	C	.	.			trans	-68.2	126.5	166.5	-75.4	0	0	0	0	109.5	R591 E778 Y781 K782	C589-R591 PolarHBondContact O-N 2.78Å; C589-E778 HydrophobicContact CB-CG 4.05Å; C589-E778 PolarHBondContact N-OE1 3.07Å; C589-Y781 HydrophobicContact CB-CD1 4.48Å; C589-K782 WeakPolarHBondContact SG-CE 3.26Å; C589-K782 WeakPolarHBondContact SG-CG 3.37Å
590	P	97.5	Very high	95.8	Very high	49 Å²	49	40.2 Å²	40.2	32%	0.318	22%	0.217	S	C	.	.			trans	-51.7	131.4	170.8	-29.7	37.9	0	0	0	110.8	S551 L552 M588 G628 K629	S551-P590 CarbonylContact C-O 3.56Å; S551-P590 VanDerWaalsContact CA-O 3.25Å; S551-P590 WeakPolarHBondContact CA-O 3.47Å; S551-P590 VanDerWaalsContact CB-O 3.32Å; S551-P590 WeakPolarHBondContact CB-O 3.49Å; L552-P590 PolarHBondContact N-O 3.15Å; M588-P590 WeakPolarHBondContact O-CD 3.38Å; P590-G628 WeakPolarHBondContact CB-O 3.39Å; P590-K629 CarbonylContact C-O 3.12Å; P590-K629 VanDerWaalsContact CA-O 3.3Å; P590-K629 WeakPolarHBondContact CA-O 3.47Å
591	R	98.3	Very high	95.4	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.3	-175.1	-166.2	173.4	-72.4	-151.5	8	112.3	L552 D554 Y572 C589 I593 K629 L630 K631	L552-R591 HydrophobicContact CB-CG 4.37Å; L552-R591 HydrophobicContact CD2-CG 4.09Å; D554-R591 HydrophobicContact CB-CG 4.1Å; D554-R591 IonicContact OD2-CZ 2.83Å; D554-R591 IonicContact OD2-NH1 3.2Å; D554-R591 PolarHBondContact OD2-NH1 3.1Å; Y572-R591 VanDerWaalsContact OH-CZ 3.26Å; Y572-R591 PolarHBondContact OH-NH1 2.89Å; C589-R591 PolarHBondContact O-N 2.78Å; R591-I593 HydrophobicContact CG-CG1 4.22Å; R591-K629 PolarHBondContact N-O 2.94Å; R591-L630 WeakPolarHBondContact O-CA 3.45Å; R591-K631 PolarHBondContact O-N 3.42Å
592	T	98.6	Very high	94.8	Very high	3 Å²	3	41 Å²	41	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108	170.9	-61.9	0	0	0	0	108.4	L547 S551 L552 F553 D554 I594 K631	L547-T592 HydrophobicContact CD2-CG2 3.87Å; S551-T592 WeakPolarHBondContact OG-CB 3.28Å; S551-T592 PolarHBondContact OG-OG1 3.03Å; L552-T592 PolarHBondContact O-N 3.23Å; F553-T592 HydrophobicContact CD1-CG2 4.42Å; F553-T592 HydrophobicContact CE1-CG2 4.35Å; D554-T592 PolarHBondContact N-O 3.05Å; T592-I594 HydrophobicContact CG2-CD1 4.09Å; T592-I594 HydrophobicContact CG2-CG1 3.8Å; T592-K631 CarbonylContact C-O 3.06Å; T592-K631 WeakPolarHBondContact CA-O 3.31Å; T592-K631 HydrophobicContact CG2-CB 4.44Å
593	I	98.8	Very high	94.4	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.3	176.5	-55.4	167.3	0	0	0	108.4	D554 P569 Y572 A573 R591 I595 L630 K631 L632 I633	D554-I593 HydrophobicContact CB-CG1 4.34Å; D554-I593 CarbonylContact O-C 3.55Å; D554-I593 WeakPolarHBondContact O-CA 3.42Å; P569-I593 HydrophobicContact CB-CG2 4.35Å; Y572-I593 HydrophobicContact CD1-CD1 3.67Å; Y572-I593 HydrophobicContact CE1-CD1 3.88Å; A573-I593 HydrophobicContact CB-CD1 3.63Å; R591-I593 HydrophobicContact CG-CG1 4.22Å; I593-I595 HydrophobicContact CG2-CG1 4.19Å; I593-L630 HydrophobicContact CD1-CD1 3.95Å; I593-K631 PolarHBondContact N-O 3.13Å; I593-L632 HydrophobicContact CB-CD1 3.81Å; I593-L632 HydrophobicContact CG2-CD1 3.62Å; I593-L632 CarbonylContact O-C 3.54Å; I593-L632 WeakPolarHBondContact O-CA 3.25Å; I593-I633 PolarHBondContact O-N 3.13Å
594	I	98.7	Very high	94.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	104.1	-175.4	-52.2	176.7	0	0	0	108.2	F535 F553 D554 V555 H556 T592 I633 L635 I646	F535-I594 HydrophobicContact CE1-CD1 3.95Å; F553-I594 HydrophobicContact CD2-CD1 4.38Å; F553-I594 HydrophobicContact CG-CD1 4.4Å; D554-I594 PolarHBondContact O-N 2.7Å; V555-I594 WeakPolarHBondContact CA-O 3.43Å; V555-I594 HydrophobicContact CG2-CB 4.12Å; V555-I594 HydrophobicContact CG2-CD1 4.15Å; V555-I594 HydrophobicContact CG2-CG1 4.43Å; H556-I594 PolarHBondContact N-O 3.45Å; T592-I594 HydrophobicContact CG2-CD1 4.09Å; T592-I594 HydrophobicContact CG2-CG1 3.8Å; I594-I633 HydrophobicContact CB-CD1 4.44Å; I594-I633 HydrophobicContact CB-CG1 4.16Å; I594-I633 HydrophobicContact CD1-CD1 4.4Å; I594-I633 HydrophobicContact CG1-CD1 3.98Å; I594-I633 HydrophobicContact CG1-CG1 3.85Å; I594-I633 HydrophobicContact CG2-CD1 3.97Å; I594-I633 HydrophobicContact CG2-CG1 4.04Å; I594-L635 HydrophobicContact CG2-CB 4.03Å; I594-L635 HydrophobicContact CG2-CD2 4.38Å; I594-I646 HydrophobicContact CD1-CD1 3.84Å
595	I	98.7	Very high	94.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134	174.5	-54	176.6	0	0	0	108.2	H556 P566 P569 C570 I593 I613 L632 I633 F634 L635	H556-I595 HydrophobicContact CB-CG1 4.32Å; H556-I595 HydrophobicContact CB-CG2 4.46Å; H556-I595 CarbonylContact O-C 3.54Å; H556-I595 VanDerWaalsContact O-CA 3.32Å; H556-I595 WeakPolarHBondContact O-CA 3.45Å; P566-I595 HydrophobicContact CB-CG2 4.26Å; P569-I595 HydrophobicContact CB-CD1 4.18Å; P569-I595 HydrophobicContact CG-CD1 3.97Å; P569-I595 HydrophobicContact CG-CG1 4.41Å; C570-I595 HydrophobicContact CB-CD1 4.41Å; I593-I595 HydrophobicContact CG2-CG1 4.19Å; I595-I613 HydrophobicContact CB-CD1 4.45Å; I595-I613 HydrophobicContact CB-CG2 4.36Å; I595-I613 HydrophobicContact CD1-CD1 4.04Å; I595-I613 HydrophobicContact CD1-CG1 4.14Å; I595-I613 HydrophobicContact CD1-CG2 4.1Å; I595-I613 HydrophobicContact CG2-CD1 3.85Å; I595-L632 HydrophobicContact CD1-CD1 4.05Å; I595-L632 HydrophobicContact CG1-CD1 4.26Å; I595-I633 PolarHBondContact N-O 3.31Å; I595-F634 HydrophobicContact CG2-CD2 4.44Å; I595-F634 HydrophobicContact CG2-CE2 4.43Å; I595-F634 CarbonylContact O-C 3.57Å; I595-F634 WeakPolarHBondContact O-CA 3.32Å; I595-L635 PolarHBondContact O-N 3.34Å
596	G	97.7	Very high	94.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.2	-179.9	0	0	0	0	0	113	H556 V557 K558	H556-G596 PolarHBondContact O-N 3.37Å; V557-G596 VanDerWaalsContact CA-O 3.3Å; V557-G596 WeakPolarHBondContact CA-O 2.94Å; K558-G596 PolarHBondContact N-O 3.5Å
597	G	95.7	Very high	94.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	17%	0.17	C	C	.	.			trans	151.9	169.9	-174.6	0	0	0	0	0	113.5	Q162 K558 F634	Q162-G597 PolarHBondContact NE2-O 3.44Å; Q162-G597 PolarHBondContact OE1-O 3.22Å; K558-G597 WeakPolarHBondContact O-CA 3.25Å; G597-F634 WeakPolarHBondContact O-CZ 3.43Å
598	K	95.2	Very high	94.7	Very high	17 Å²	17	22.2 Å²	22.2	7%	0.074	13%	0.13	C	C	.	.			trans	-110.3	137	174.4	-60.7	-176.1	-177.8	-174.1	0	110	F160 Q162 R559 V560 N637 Y638	F160-K598 HydrophobicContact CD2-CD 4.43Å; F160-K598 HydrophobicContact CE2-CB 4.08Å; F160-K598 HydrophobicContact CE2-CD 3.84Å; F160-K598 HydrophobicContact CE2-CG 4.13Å; F160-K598 HydrophobicContact CZ-CB 3.78Å; F160-K598 HydrophobicContact CZ-CD 4Å; F160-K598 HydrophobicContact CZ-CG 4.28Å; F160-K598 PolarHBondContact O-NZ 3.44Å; Q162-K598 HydrophobicContact CB-CD 4.45Å; Q162-K598 HydrophobicContact CB-CG 4.2Å; R559-K598 WeakPolarHBondContact CG-O 3.06Å; V560-K598 PolarHBondContact N-O 2.88Å; K598-N637 WeakPolarHBondContact CE-OD1 3.17Å; K598-N637 PolarHBondContact NZ-OD1 2.95Å; K598-Y638 WeakPolarHBondContact CE-O 3.24Å
599	A	93.6	Very high	94.9	Very high	2 Å²	2	21 Å²	21	2%	0.017	12%	0.124	C	C	.	.			trans	-88.6	150.4	165.7	0	0	0	0	0	109.6	F160 Q169 V560 A606 K607 I610	F160-A599 VanDerWaalsContact CZ-O 3.24Å; F160-A599 WeakPolarHBondContact CZ-O 3.47Å; Q169-A599 PolarHBondContact NE2-O 2.83Å; V560-A599 HydrophobicContact CB-CB 4.36Å; A599-A606 HydrophobicContact CB-CB 3.64Å; A599-K607 HydrophobicContact CB-CG 3.99Å; A599-I610 HydrophobicContact CB-CD1 3.7Å
600	A	89.9	Confident	95.1	Very high	22 Å²	22	20.3 Å²	20.3	18%	0.182	12%	0.12	C	C	.	.			trans	-65.2	145.4	170.9	0	0	0	0	0	109.9	G602 Y603	A600-G602 VanDerWaalsContact C-N 3.26Å; A600-G602 PolarHBondContact O-N 3.26Å; A600-Y603 PolarHBondContact O-N 2.93Å
601	P	87.5	Confident	95.1	Very high	46 Å²	46	19 Å²	19	30%	0.299	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.6	-174.4	-25.8	33.4	0	0	0	113.7	F160 E171 I277 K607	F160-P601 HydrophobicContact CD1-CG 4.2Å; F160-P601 HydrophobicContact CE1-CG 4.04Å; E171-P601 HydrophobicContact CG-CB 4.35Å; E171-P601 HydrophobicContact CG-CG 4.11Å; I277-P601 HydrophobicContact CD1-CB 4.1Å; I277-P601 HydrophobicContact CG1-CB 4.27Å; P601-K607 WeakPolarHBondContact O-CE 3.25Å; P601-K607 PolarHBondContact O-NZ 3.08Å
602	G	85.1	Confident	95.1	Very high	57 Å²	57	19 Å²	19	59%	0.588	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-3	177.7	0	0	0	0	0	115.5	A600 H604	A600-G602 VanDerWaalsContact C-N 3.26Å; A600-G602 PolarHBondContact O-N 3.26Å; G602-H604 PolarHBondContact O-N 3.01Å; G602-H604 VanDerWaalsContact O-N 3.16Å
603	Y	89.1	Confident	95.1	Very high	71 Å²	71	18.8 Å²	18.8	28%	0.278	11%	0.108	S	C	.	.			trans	-90	85	-176.3	-162.9	167	0	0	0	111.3	L561 E562 A600 M605 A606 K607	L561-Y603 HydrophobicContact CD2-CD1 3.82Å; L561-Y603 HydrophobicContact CD2-CE1 3.57Å; E562-Y603 HydrophobicContact CG-CE2 4.4Å; E562-Y603 WeakPolarHBondContact CG-OH 3.49Å; E562-Y603 WeakPolarHBondContact OE2-CE2 3.24Å; E562-Y603 PolarHBondContact OE2-OH 2.98Å; A600-Y603 PolarHBondContact O-N 2.93Å; Y603-M605 HydrophobicContact CD2-CB 4.24Å; Y603-M605 HydrophobicContact CE2-CB 3.87Å; Y603-M605 PolarHBondContact O-N 3.03Å; Y603-A606 HydrophobicContact CD1-CB 3.72Å; Y603-A606 HydrophobicContact CD2-CB 4Å; Y603-A606 HydrophobicContact CE1-CB 4.23Å; Y603-A606 HydrophobicContact CE2-CB 4.46Å; Y603-A606 HydrophobicContact CG-CB 3.61Å; Y603-A606 PolarHBondContact O-N 3.31Å; Y603-K607 PolarHBondContact O-N 3.32Å; Y603-K607 VanDerWaalsContact O-N 3.08Å
604	H	92.5	Very high	95.1	Very high	107 Å²	107	20.2 Å²	20.2	50%	0.495	12%	0.116	S	C	.	.	H	α-helix	trans	-51.8	-49.4	-177.5	-179.2	-100	0	0	0	113.7	G602 A606 K607 M608	G602-H604 PolarHBondContact O-N 3.01Å; G602-H604 VanDerWaalsContact O-N 3.16Å; H604-A606 PolarHBondContact O-N 2.94Å; H604-K607 PolarHBondContact O-N 2.86Å; H604-M608 PolarHBondContact O-N 3.16Å
605	M	94.2	Very high	95.1	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.034	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-39.1	-177.6	-169.3	54	55.2	0	0	112.5	E562 Y603 K607 M608 I609 L751 K754	E562-M605 HydrophobicContact CG-CB 4.33Å; E562-M605 HydrophobicContact CG-CG 3.8Å; E562-M605 VanDerWaalsContact OE2-CB 3.28Å; E562-M605 WeakPolarHBondContact OE2-CB 3.33Å; E562-M605 VanDerWaalsContact OE2-CG 3.25Å; E562-M605 WeakPolarHBondContact OE2-CG 3.5Å; Y603-M605 HydrophobicContact CD2-CB 4.24Å; Y603-M605 HydrophobicContact CE2-CB 3.87Å; Y603-M605 PolarHBondContact O-N 3.03Å; M605-K607 VanDerWaalsContact C-N 3.35Å; M605-K607 PolarHBondContact O-N 3.47Å; M605-M608 WeakPolarHBondContact O-CB 3.27Å; M605-M608 PolarHBondContact O-N 3.45Å; M605-M608 HydrophobicContact SD-CB 4.38Å; M605-I609 HydrophobicContact CG-CD1 4.47Å; M605-I609 VanDerWaalsContact O-CG1 3.31Å; M605-I609 WeakPolarHBondContact O-CG1 3.38Å; M605-I609 PolarHBondContact O-N 2.78Å; M605-L751 HydrophobicContact SD-CB 4.11Å; M605-L751 HydrophobicContact SD-CD1 3.51Å; M605-L751 VanDerWaalsContact SD-CD1 3.51Å; M605-L751 HydrophobicContact SD-CG 4.37Å; M605-K754 HydrophobicContact CE-CD 3.54Å; M605-K754 HydrophobicContact CE-CG 4.32Å; M605-K754 HydrophobicContact SD-CD 4.44Å
606	A	95.2	Very high	95.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-40.7	174.5	0	0	0	0	0	112	V560 A599 Y603 H604 I609 I610	V560-A606 HydrophobicContact CG1-CB 4.17Å; V560-A606 WeakPolarHBondContact O-CB 3.44Å; A599-A606 HydrophobicContact CB-CB 3.64Å; Y603-A606 HydrophobicContact CD1-CB 3.72Å; Y603-A606 HydrophobicContact CD2-CB 4Å; Y603-A606 HydrophobicContact CE1-CB 4.23Å; Y603-A606 HydrophobicContact CE2-CB 4.46Å; Y603-A606 HydrophobicContact CG-CB 3.61Å; Y603-A606 PolarHBondContact O-N 3.31Å; H604-A606 PolarHBondContact O-N 2.94Å; A606-I609 PolarHBondContact O-N 2.79Å; A606-I610 WeakPolarHBondContact O-CG1 3.3Å; A606-I610 PolarHBondContact O-N 3.32Å; A606-I610 VanDerWaalsContact O-N 3.16Å
607	K	96.8	Very high	95.1	Very high	34 Å²	34	21 Å²	21	15%	0.148	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-40.2	173.1	-72.6	-172.4	169	-174.3	0	112.3	W168 E171 A599 P601 Y603 H604 M605 I609 I610 K611	W168-K607 HydrophobicContact CZ3-CB 4.46Å; E171-K607 WeakPolarHBondContact OE1-CE 3.44Å; E171-K607 IonicContact OE1-NZ 3.21Å; E171-K607 PolarHBondContact OE1-NZ 3.25Å; E171-K607 IonicContact OE2-NZ 2.7Å; E171-K607 PolarHBondContact OE2-NZ 2.98Å; A599-K607 HydrophobicContact CB-CG 3.99Å; P601-K607 WeakPolarHBondContact O-CE 3.25Å; P601-K607 PolarHBondContact O-NZ 3.08Å; Y603-K607 PolarHBondContact O-N 3.32Å; Y603-K607 VanDerWaalsContact O-N 3.08Å; H604-K607 PolarHBondContact O-N 2.86Å; M605-K607 VanDerWaalsContact C-N 3.35Å; M605-K607 PolarHBondContact O-N 3.47Å; K607-I609 VanDerWaalsContact C-N 3.31Å; K607-I609 PolarHBondContact O-N 2.97Å; K607-I610 WeakPolarHBondContact O-CB 3.39Å; K607-I610 PolarHBondContact O-N 3.39Å; K607-K611 PolarHBondContact O-N 3.47Å
608	M	97.5	Very high	95.1	Very high	6 Å²	6	29 Å²	29	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-40.7	174.8	-170.8	65.1	74.6	0	0	111.7	W168 H604 M605 K611 L612 L747 F748 L751	W168-M608 HydrophobicContact CH2-CE 3.93Å; W168-M608 HydrophobicContact CH2-SD 3.81Å; W168-M608 HydrophobicContact CZ3-SD 4.45Å; H604-M608 PolarHBondContact O-N 3.16Å; M605-M608 WeakPolarHBondContact O-CB 3.27Å; M605-M608 PolarHBondContact O-N 3.45Å; M605-M608 HydrophobicContact SD-CB 4.38Å; M608-K611 PolarHBondContact O-N 3.03Å; M608-L612 PolarHBondContact O-N 3.21Å; M608-L747 HydrophobicContact CE-CD1 4.19Å; M608-L747 HydrophobicContact SD-CD1 4.16Å; M608-L747 HydrophobicContact SD-CG 4.26Å; M608-F748 HydrophobicContact CG-CD1 4.18Å; M608-F748 HydrophobicContact SD-CD1 3.7Å; M608-F748 HydrophobicContact SD-CE1 3.91Å; M608-L751 HydrophobicContact CG-CB 4.19Å; M608-L751 HydrophobicContact CG-CD2 4.46Å
609	I	98	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-42.1	175.5	-65.8	164.4	0	0	0	111.4	E562 P566 L567 M605 A606 K607 K611 L612 I613 L751	E562-I609 HydrophobicContact CG-CD1 4.13Å; P566-I609 HydrophobicContact CB-CG2 4.43Å; P566-I609 HydrophobicContact CG-CG2 3.93Å; L567-I609 HydrophobicContact CD1-CD1 4.05Å; L567-I609 HydrophobicContact CD1-CG1 4.16Å; L567-I609 HydrophobicContact CD2-CG1 4.06Å; L567-I609 HydrophobicContact CD2-CG2 4.03Å; L567-I609 HydrophobicContact CG-CD1 4.15Å; L567-I609 HydrophobicContact CG-CG1 4.06Å; L567-I609 HydrophobicContact CG-CG2 4.16Å; M605-I609 HydrophobicContact CG-CD1 4.47Å; M605-I609 VanDerWaalsContact O-CG1 3.31Å; M605-I609 WeakPolarHBondContact O-CG1 3.38Å; M605-I609 PolarHBondContact O-N 2.78Å; A606-I609 PolarHBondContact O-N 2.79Å; K607-I609 VanDerWaalsContact C-N 3.31Å; K607-I609 PolarHBondContact O-N 2.97Å; I609-K611 VanDerWaalsContact C-N 3.31Å; I609-K611 PolarHBondContact O-N 3.2Å; I609-L612 PolarHBondContact O-N 2.84Å; I609-I613 HydrophobicContact CG2-CD1 3.79Å; I609-I613 HydrophobicContact CG2-CG1 4.4Å; I609-I613 WeakPolarHBondContact O-CD1 3.34Å; I609-I613 VanDerWaalsContact O-CG1 3.31Å; I609-I613 WeakPolarHBondContact O-CG1 3.21Å; I609-I613 PolarHBondContact O-N 3.32Å; I609-L751 HydrophobicContact CG1-CD1 4.35Å
610	I	98.5	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-44.9	174.1	-65.7	175.6	0	0	0	110.6	I164 Q169 V560 A599 A606 K607 I613 N614 F634	I164-I610 HydrophobicContact CD1-CG2 3.91Å; Q169-I610 HydrophobicContact CB-CD1 4.12Å; Q169-I610 VanDerWaalsContact OE1-CD1 3.24Å; V560-I610 HydrophobicContact CB-CD1 4.31Å; V560-I610 HydrophobicContact CB-CG1 4.37Å; V560-I610 HydrophobicContact CG1-CD1 4.44Å; V560-I610 HydrophobicContact CG1-CG1 4.03Å; V560-I610 HydrophobicContact CG2-CD1 4Å; V560-I610 HydrophobicContact CG2-CG1 4.02Å; A599-I610 HydrophobicContact CB-CD1 3.7Å; A606-I610 WeakPolarHBondContact O-CG1 3.3Å; A606-I610 PolarHBondContact O-N 3.32Å; A606-I610 VanDerWaalsContact O-N 3.16Å; K607-I610 WeakPolarHBondContact O-CB 3.39Å; K607-I610 PolarHBondContact O-N 3.39Å; I610-I613 PolarHBondContact O-N 3.19Å; I610-N614 WeakPolarHBondContact CG2-ND2 3.46Å; I610-N614 PolarHBondContact O-N 2.71Å; I610-N614 PolarHBondContact O-ND2 2.8Å; I610-F634 HydrophobicContact CB-CE2 4.35Å; I610-F634 HydrophobicContact CB-CZ 4.29Å; I610-F634 HydrophobicContact CD1-CZ 3.89Å; I610-F634 HydrophobicContact CG1-CE2 3.88Å; I610-F634 HydrophobicContact CG1-CZ 3.71Å; I610-F634 HydrophobicContact CG2-CD1 4.31Å; I610-F634 HydrophobicContact CG2-CD2 4.45Å; I610-F634 HydrophobicContact CG2-CE1 3.9Å; I610-F634 HydrophobicContact CG2-CE2 4.04Å; I610-F634 HydrophobicContact CG2-CZ 3.74Å
611	K	98.3	Very high	95.6	Very high	21 Å²	21	33.9 Å²	33.9	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-43.5	176.8	173.7	58.7	177	168.7	0	112.2	D166 G167 W168 K607 M608 I609 N614 S615 L747 F748	D166-K611 PolarHBondContact O-NZ 3.11Å; G167-K611 VanDerWaalsContact O-CA 3.3Å; G167-K611 WeakPolarHBondContact O-CA 3.35Å; W168-K611 HydrophobicContact CD2-CB 3.86Å; W168-K611 HydrophobicContact CD2-CD 4.04Å; W168-K611 HydrophobicContact CD2-CG 3.89Å; W168-K611 HydrophobicContact CE3-CB 3.74Å; W168-K611 HydrophobicContact CE3-CG 4.22Å; W168-K611 HydrophobicContact CG-CD 4.13Å; W168-K611 HydrophobicContact CH2-CB 4.13Å; W168-K611 HydrophobicContact CH2-CG 4.08Å; W168-K611 HydrophobicContact CZ2-CB 4.25Å; W168-K611 HydrophobicContact CZ2-CD 4.36Å; W168-K611 HydrophobicContact CZ2-CG 3.75Å; W168-K611 HydrophobicContact CZ3-CB 3.87Å; W168-K611 HydrophobicContact CZ3-CG 4.29Å; K607-K611 PolarHBondContact O-N 3.47Å; M608-K611 PolarHBondContact O-N 3.03Å; I609-K611 VanDerWaalsContact C-N 3.31Å; I609-K611 PolarHBondContact O-N 3.2Å; K611-N614 PolarHBondContact O-N 2.56Å; K611-S615 WeakPolarHBondContact O-CB 3.29Å; K611-S615 PolarHBondContact O-N 2.9Å; K611-S615 PolarHBondContact O-OG 3.06Å; K611-L747 HydrophobicContact CD-CD2 4.46Å; K611-L747 HydrophobicContact CG-CD2 3.99Å; K611-F748 HydrophobicContact CB-CE1 4.4Å; K611-F748 HydrophobicContact CG-CE1 3.91Å; K611-F748 HydrophobicContact CG-CZ 3.99Å
612	L	98.5	Very high	96	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-50.6	175.5	177.4	62.9	0	0	0	111.1	L567 M608 I609 N614 S615 V616 I735 Y740 F748 L751	L567-L612 HydrophobicContact CD2-CD2 3.81Å; M608-L612 PolarHBondContact O-N 3.21Å; I609-L612 PolarHBondContact O-N 2.84Å; L612-N614 VanDerWaalsContact C-N 3.33Å; L612-N614 PolarHBondContact O-N 3.17Å; L612-S615 WeakPolarHBondContact O-CB 3.36Å; L612-S615 PolarHBondContact O-N 3.05Å; L612-V616 HydrophobicContact CD1-CG2 3.93Å; L612-V616 HydrophobicContact CG-CG2 4.27Å; L612-V616 WeakPolarHBondContact O-CG2 3.3Å; L612-V616 PolarHBondContact O-N 2.88Å; L612-I735 HydrophobicContact CD1-CG1 4.17Å; L612-I735 HydrophobicContact CD1-CG2 4.45Å; L612-I735 HydrophobicContact CD2-CD1 3.98Å; L612-I735 HydrophobicContact CD2-CG1 4.44Å; L612-Y740 HydrophobicContact CD1-CD2 4.33Å; L612-F748 HydrophobicContact CB-CD1 4.16Å; L612-F748 HydrophobicContact CB-CE1 3.7Å; L612-F748 HydrophobicContact CB-CZ 4.04Å; L612-F748 HydrophobicContact CD1-CD1 4.31Å; L612-F748 HydrophobicContact CD1-CD2 3.98Å; L612-F748 HydrophobicContact CD1-CE1 4.2Å; L612-F748 HydrophobicContact CD1-CE2 3.84Å; L612-F748 HydrophobicContact CD1-CG 4.22Å; L612-F748 HydrophobicContact CD1-CZ 3.96Å; L612-L751 HydrophobicContact CB-CD2 4.39Å; L612-L751 HydrophobicContact CD2-CD2 3.58Å
613	I	98.6	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-46.9	-179.1	-67.3	159.1	0	0	0	111.1	P566 C570 I595 I609 I610 S615 V616 A617 L632 F634	P566-I613 HydrophobicContact CB-CD1 4.4Å; C570-I613 HydrophobicContact CB-CG1 4.12Å; I595-I613 HydrophobicContact CB-CD1 4.45Å; I595-I613 HydrophobicContact CB-CG2 4.36Å; I595-I613 HydrophobicContact CD1-CD1 4.04Å; I595-I613 HydrophobicContact CD1-CG1 4.14Å; I595-I613 HydrophobicContact CD1-CG2 4.1Å; I595-I613 HydrophobicContact CG2-CD1 3.85Å; I609-I613 HydrophobicContact CG2-CD1 3.79Å; I609-I613 HydrophobicContact CG2-CG1 4.4Å; I609-I613 WeakPolarHBondContact O-CD1 3.34Å; I609-I613 VanDerWaalsContact O-CG1 3.31Å; I609-I613 WeakPolarHBondContact O-CG1 3.21Å; I609-I613 PolarHBondContact O-N 3.32Å; I610-I613 PolarHBondContact O-N 3.19Å; I613-S615 VanDerWaalsContact C-N 3.29Å; I613-S615 PolarHBondContact O-N 3.15Å; I613-V616 PolarHBondContact O-N 3.38Å; I613-A617 VanDerWaalsContact O-CB 3.23Å; I613-A617 WeakPolarHBondContact O-CB 3.41Å; I613-A617 PolarHBondContact O-N 2.88Å; I613-L632 HydrophobicContact CG2-CD1 4.45Å; I613-L632 HydrophobicContact CG2-CD2 4.38Å; I613-F634 HydrophobicContact CB-CD2 4.38Å; I613-F634 HydrophobicContact CD1-CD2 4.38Å; I613-F634 HydrophobicContact CD1-CE2 4.46Å; I613-F634 HydrophobicContact CG2-CB 4.23Å; I613-F634 HydrophobicContact CG2-CD2 3.94Å
614	N	98.4	Very high	96.8	Very high	31 Å²	31	38.7 Å²	38.7	17%	0.166	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-34.5	177.6	-77.6	-70.8	0	0	0	112.5	G167 I610 K611 L612 R618 F634	G167-N614 PolarHBondContact O-ND2 3.49Å; I610-N614 WeakPolarHBondContact CG2-ND2 3.46Å; I610-N614 PolarHBondContact O-N 2.71Å; I610-N614 PolarHBondContact O-ND2 2.8Å; K611-N614 PolarHBondContact O-N 2.56Å; L612-N614 VanDerWaalsContact C-N 3.33Å; L612-N614 PolarHBondContact O-N 3.17Å; N614-R618 WeakPolarHBondContact O-CB 3.4Å; N614-R618 PolarHBondContact O-N 2.81Å; N614-F634 VanDerWaalsContact OD1-CB 3.29Å; N614-F634 WeakPolarHBondContact OD1-CB 3.29Å
615	S	98.1	Very high	97	Very high	8 Å²	8	36 Å²	36	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-71.2	-42.6	179.4	-55.6	0	0	0	0	111.5	K611 L612 I613 R618 I619 Y740	K611-S615 WeakPolarHBondContact O-CB 3.29Å; K611-S615 PolarHBondContact O-N 2.9Å; K611-S615 PolarHBondContact O-OG 3.06Å; L612-S615 WeakPolarHBondContact O-CB 3.36Å; L612-S615 PolarHBondContact O-N 3.05Å; I613-S615 VanDerWaalsContact C-N 3.29Å; I613-S615 PolarHBondContact O-N 3.15Å; S615-R618 PolarHBondContact O-N 3Å; S615-I619 PolarHBondContact O-N 3.13Å; S615-Y740 WeakPolarHBondContact CB-O 3.5Å
616	V	98.4	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-45.4	172	177.2	0	0	0	0	110.8	I574 L612 I613 R618 I619 I620 L632 Y740	I574-V616 HydrophobicContact CD1-CG2 3.96Å; I574-V616 HydrophobicContact CG1-CG1 3.77Å; I574-V616 HydrophobicContact CG1-CG2 4.07Å; L612-V616 HydrophobicContact CD1-CG2 3.93Å; L612-V616 HydrophobicContact CG-CG2 4.27Å; L612-V616 WeakPolarHBondContact O-CG2 3.3Å; L612-V616 PolarHBondContact O-N 2.88Å; I613-V616 PolarHBondContact O-N 3.38Å; V616-R618 VanDerWaalsContact C-N 3.28Å; V616-R618 PolarHBondContact O-N 3.19Å; V616-I619 PolarHBondContact O-N 3.35Å; V616-I620 HydrophobicContact CG1-CD1 3.87Å; V616-I620 HydrophobicContact CG1-CG1 4.44Å; V616-I620 WeakPolarHBondContact O-CG1 3.45Å; V616-I620 PolarHBondContact O-N 2.86Å; V616-L632 HydrophobicContact CB-CD2 4.03Å; V616-L632 HydrophobicContact CG1-CD2 3.71Å; V616-Y740 HydrophobicContact CB-CD1 4.21Å; V616-Y740 HydrophobicContact CB-CE1 4.38Å; V616-Y740 HydrophobicContact CG1-CE1 4.26Å; V616-Y740 HydrophobicContact CG2-CD1 3.68Å; V616-Y740 HydrophobicContact CG2-CD2 4.09Å; V616-Y740 HydrophobicContact CG2-CE1 3.9Å; V616-Y740 HydrophobicContact CG2-CE2 4.29Å; V616-Y740 HydrophobicContact CG2-CG 3.8Å
617	A	98	Very high	97	Very high	11 Å²	11	40.7 Å²	40.7	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-55.6	-44.1	177.9	0	0	0	0	0	111.8	I613 I620 D621 L632	I613-A617 VanDerWaalsContact O-CB 3.23Å; I613-A617 WeakPolarHBondContact O-CB 3.41Å; I613-A617 PolarHBondContact O-N 2.88Å; A617-I620 PolarHBondContact O-N 2.95Å; A617-D621 WeakPolarHBondContact O-CB 3.4Å; A617-D621 PolarHBondContact O-N 3.02Å; A617-L632 HydrophobicContact CB-CB 4.27Å; A617-L632 HydrophobicContact CB-CD2 4.16Å; A617-L632 HydrophobicContact CB-CG 3.98Å; A617-L632 VanDerWaalsContact CB-O 3.25Å; A617-L632 WeakPolarHBondContact CB-O 3.44Å
618	R	96.5	Very high	96.7	Very high	169 Å²	169	41.4 Å²	41.4	64%	0.638	22%	0.223	S	C	*	.	H	α-helix	trans	-60.1	-47.4	177.5	-174.5	177.4	178.1	175.6	0.9	112.1	N614 S615 V616 I620 D621 F622	N614-R618 WeakPolarHBondContact O-CB 3.4Å; N614-R618 PolarHBondContact O-N 2.81Å; S615-R618 PolarHBondContact O-N 3Å; V616-R618 VanDerWaalsContact C-N 3.28Å; V616-R618 PolarHBondContact O-N 3.19Å; R618-I620 VanDerWaalsContact C-N 3.35Å; R618-D621 PolarHBondContact O-N 3.4Å; R618-F622 HydrophobicContact CG-CD2 3.63Å; R618-F622 HydrophobicContact CG-CE2 3.63Å; R618-F622 WeakPolarHBondContact O-CD2 3.3Å; R618-F622 PolarHBondContact O-N 3.39Å; R618-F622 VanDerWaalsContact O-N 3.14Å
619	I	96.8	Very high	96.7	Very high	48 Å²	48	44 Å²	44	25%	0.246	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-44.2	178.6	-64.2	-64.3	0	0	0	111	Y577 S615 V616 D621 F622 D623 Y739 Y740	Y577-I619 HydrophobicContact CE1-CG2 4.23Å; Y577-I619 HydrophobicContact CE2-CG2 4.46Å; S615-I619 PolarHBondContact O-N 3.13Å; V616-I619 PolarHBondContact O-N 3.35Å; I619-D621 PolarHBondContact O-N 2.89Å; I619-F622 PolarHBondContact O-N 3.49Å; I619-D623 PolarHBondContact O-N 2.98Å; I619-Y739 HydrophobicContact CG2-CE1 4.14Å; I619-Y740 HydrophobicContact CB-CD1 4.43Å; I619-Y740 HydrophobicContact CG1-CD1 4.06Å
620	I	97.4	Very high	96.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-45.5	177.5	-69.9	174.1	0	0	0	111	A573 Y577 V616 A617 R618 F622 D623 T626 L630 L632	A573-I620 HydrophobicContact CB-CD1 4.11Å; Y577-I620 HydrophobicContact CD2-CG1 4.06Å; Y577-I620 HydrophobicContact CG-CG1 4.27Å; V616-I620 HydrophobicContact CG1-CD1 3.87Å; V616-I620 HydrophobicContact CG1-CG1 4.44Å; V616-I620 WeakPolarHBondContact O-CG1 3.45Å; V616-I620 PolarHBondContact O-N 2.86Å; A617-I620 PolarHBondContact O-N 2.95Å; R618-I620 VanDerWaalsContact C-N 3.35Å; I620-F622 VanDerWaalsContact C-N 3.33Å; I620-F622 PolarHBondContact O-N 2.85Å; I620-D623 PolarHBondContact O-N 2.8Å; I620-T626 HydrophobicContact CG2-CG2 4.14Å; I620-T626 PolarHBondContact O-OG1 2.74Å; I620-L630 HydrophobicContact CD1-CD2 4.06Å; I620-L630 HydrophobicContact CG2-CD2 4.41Å; I620-L630 HydrophobicContact CG2-CG 4.19Å; I620-L630 WeakPolarHBondContact CG2-O 3.49Å; I620-L632 HydrophobicContact CD1-CB 4Å; I620-L632 HydrophobicContact CD1-CD2 4.33Å
621	D	94.8	Very high	96.7	Very high	92 Å²	92	46.1 Å²	46.1	49%	0.492	24%	0.244	S	C	.	.	H	α-helix	trans	-71	-26.9	-174.9	-155.2	48.9	0	0	0	112.8	A617 R618 I619 K631	A617-D621 WeakPolarHBondContact O-CB 3.4Å; A617-D621 PolarHBondContact O-N 3.02Å; R618-D621 PolarHBondContact O-N 3.4Å; I619-D621 PolarHBondContact O-N 2.89Å; D621-K631 IonicContact OD1-NZ 3.02Å; D621-K631 PolarHBondContact OD1-NZ 2.78Å; D621-K631 IonicContact OD2-NZ 3.27Å
622	F	95	Very high	96.7	Very high	153 Å²	153	45.3 Å²	45.3	67%	0.671	24%	0.24	S	C	*	.	H	α-helix	trans	-89.5	-10.8	177.8	-79.4	-63.9	0	0	0	114.8	R618 I619 I620 P624	R618-F622 HydrophobicContact CG-CD2 3.63Å; R618-F622 HydrophobicContact CG-CE2 3.63Å; R618-F622 WeakPolarHBondContact O-CD2 3.3Å; R618-F622 PolarHBondContact O-N 3.39Å; R618-F622 VanDerWaalsContact O-N 3.14Å; I619-F622 PolarHBondContact O-N 3.49Å; I620-F622 VanDerWaalsContact C-N 3.33Å; I620-F622 PolarHBondContact O-N 2.85Å; F622-P624 WeakPolarHBondContact O-CD 3.31Å
623	D	96.5	Very high	96.6	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.102	24%	0.243	C	C	.	.			trans	-90.1	113.4	-179.6	-165.2	-36.5	0	0	0	110.9	Y577 K581 I619 I620 I625 T626	Y577-D623 HydrophobicContact CE2-CB 3.92Å; Y577-D623 WeakPolarHBondContact CE2-OD2 3.41Å; Y577-D623 PolarHBondContact OH-OD2 3.2Å; K581-D623 VanDerWaalsContact CD-OD2 3.28Å; K581-D623 WeakPolarHBondContact CD-OD2 3.48Å; K581-D623 WeakPolarHBondContact CE-OD2 3.43Å; K581-D623 IonicContact NZ-OD1 3.67Å; K581-D623 IonicContact NZ-OD2 2.76Å; K581-D623 PolarHBondContact NZ-OD2 2.97Å; I619-D623 PolarHBondContact O-N 2.98Å; I620-D623 PolarHBondContact O-N 2.8Å; D623-I625 PolarHBondContact O-N 3.44Å; D623-I625 WeakPolarHBondContact OD1-CB 3.35Å; D623-I625 PolarHBondContact OD1-N 3.45Å; D623-I625 VanDerWaalsContact OD1-N 3.14Å; D623-T626 HydrophobicContact CB-CG2 4.19Å; D623-T626 PolarHBondContact O-N 2.99Å; D623-T626 PolarHBondContact O-OG1 3.24Å
624	P	95.7	Very high	96.6	Very high	104 Å²	104	46.6 Å²	46.6	68%	0.675	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-56.7	-26.2	-176.7	-26.6	36	0	0	0	114.3	F622 T626 T627	F622-P624 WeakPolarHBondContact O-CD 3.31Å; P624-T626 PolarHBondContact O-N 3.1Å; P624-T627 VanDerWaalsContact O-CB 3.3Å; P624-T627 WeakPolarHBondContact O-CB 3.45Å; P624-T627 PolarHBondContact O-N 2.94Å; P624-T627 PolarHBondContact O-OG1 3.4Å
625	I	95.8	Very high	96.5	Very high	49 Å²	49	45.1 Å²	45.1	25%	0.251	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-62.4	-26.9	-179.8	-66	169.5	0	0	0	112.1	L580 K581 P584 D623	L580-I625 HydrophobicContact CB-CG2 4.14Å; K581-I625 HydrophobicContact CD-CD1 3.91Å; P584-I625 HydrophobicContact CB-CG2 4.1Å; P584-I625 HydrophobicContact CG-CD1 4.35Å; P584-I625 HydrophobicContact CG-CG2 4.42Å; D623-I625 PolarHBondContact O-N 3.44Å; D623-I625 WeakPolarHBondContact OD1-CB 3.35Å; D623-I625 PolarHBondContact OD1-N 3.45Å; D623-I625 VanDerWaalsContact OD1-N 3.14Å
626	T	95.7	Very high	96.4	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.025	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-86.7	-13.4	-178.5	69.8	0	0	0	0	112.8	Y577 I620 D623 P624 G628 K629 L630	Y577-T626 HydrophobicContact CD2-CG2 3.66Å; Y577-T626 HydrophobicContact CE2-CG2 3.93Å; I620-T626 HydrophobicContact CG2-CG2 4.14Å; I620-T626 PolarHBondContact O-OG1 2.74Å; D623-T626 HydrophobicContact CB-CG2 4.19Å; D623-T626 PolarHBondContact O-N 2.99Å; D623-T626 PolarHBondContact O-OG1 3.24Å; P624-T626 PolarHBondContact O-N 3.1Å; T626-G628 PolarHBondContact O-N 2.66Å; T626-K629 WeakPolarHBondContact O-CA 3.38Å; T626-K629 PolarHBondContact O-N 3.49Å; T626-L630 PolarHBondContact O-N 2.77Å
627	T	93.4	Very high	96.2	Very high	103 Å²	103	49.1 Å²	49.1	63%	0.632	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	123.8	-172.1	-56.5	0	0	0	0	111.1	P624 K629	P624-T627 VanDerWaalsContact O-CB 3.3Å; P624-T627 WeakPolarHBondContact O-CB 3.45Å; P624-T627 PolarHBondContact O-N 2.94Å; P624-T627 PolarHBondContact O-OG1 3.4Å; T627-K629 PolarHBondContact O-N 2.76Å
628	G	92	Very high	96.1	Very high	49 Å²	49	50.3 Å²	50.3	51%	0.505	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-2.9	-178.1	0	0	0	0	0	115.4	P590 T626	P590-G628 WeakPolarHBondContact CB-O 3.39Å; T626-G628 PolarHBondContact O-N 2.66Å
629	K	96.3	Very high	96.1	Very high	60 Å²	60	45 Å²	45	26%	0.261	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-48.9	-178	-62.4	179.8	-177.7	172.2	0	112.8	L580 P584 M588 P590 R591 T626 T627	L580-K629 HydrophobicContact CD1-CB 4.37Å; L580-K629 HydrophobicContact CD2-CD 3.83Å; P584-K629 PolarHBondContact O-NZ 3.05Å; M588-K629 HydrophobicContact SD-CB 4.24Å; P590-K629 CarbonylContact C-O 3.12Å; P590-K629 VanDerWaalsContact CA-O 3.3Å; P590-K629 WeakPolarHBondContact CA-O 3.47Å; R591-K629 PolarHBondContact N-O 2.94Å; T626-K629 WeakPolarHBondContact O-CA 3.38Å; T626-K629 PolarHBondContact O-N 3.49Å; T627-K629 PolarHBondContact O-N 2.76Å
630	L	98	Very high	96.1	Very high	7 Å²	7	43 Å²	43	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.9	-176.2	-179.4	66.1	0	0	0	110.2	M576 L580 R591 I593 I620 T626	M576-L630 HydrophobicContact CB-CD1 4.44Å; M576-L630 HydrophobicContact CB-CD2 3.92Å; L580-L630 HydrophobicContact CD1-CB 3.97Å; L580-L630 HydrophobicContact CD1-CD2 4.33Å; R591-L630 WeakPolarHBondContact O-CA 3.45Å; I593-L630 HydrophobicContact CD1-CD1 3.95Å; I620-L630 HydrophobicContact CD1-CD2 4.06Å; I620-L630 HydrophobicContact CG2-CD2 4.41Å; I620-L630 HydrophobicContact CG2-CG 4.19Å; I620-L630 WeakPolarHBondContact CG2-O 3.49Å; T626-L630 PolarHBondContact O-N 2.77Å
631	K	98	Very high	96	Very high	38 Å²	38	43 Å²	43	17%	0.165	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.4	170.7	-170.5	155.7	-174.5	126.7	0	109.6	Q546 L547 R591 T592 I593 D621 I633	Q546-K631 WeakPolarHBondContact O-CE 3.45Å; Q546-K631 PolarHBondContact O-NZ 2.72Å; L547-K631 HydrophobicContact CD2-CD 3.91Å; R591-K631 PolarHBondContact O-N 3.42Å; T592-K631 CarbonylContact C-O 3.06Å; T592-K631 WeakPolarHBondContact CA-O 3.31Å; T592-K631 HydrophobicContact CG2-CB 4.44Å; I593-K631 PolarHBondContact N-O 3.13Å; D621-K631 IonicContact OD1-NZ 3.02Å; D621-K631 PolarHBondContact OD1-NZ 2.78Å; D621-K631 IonicContact OD2-NZ 3.27Å; K631-I633 HydrophobicContact CG-CG2 4.14Å
632	L	98.5	Very high	96.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.6	171.6	173.5	65.1	0	0	0	107.9	A573 I593 I595 I613 V616 A617 I620	A573-L632 HydrophobicContact CB-CD2 4.01Å; I593-L632 HydrophobicContact CB-CD1 3.81Å; I593-L632 HydrophobicContact CG2-CD1 3.62Å; I593-L632 CarbonylContact O-C 3.54Å; I593-L632 WeakPolarHBondContact O-CA 3.25Å; I595-L632 HydrophobicContact CD1-CD1 4.05Å; I595-L632 HydrophobicContact CG1-CD1 4.26Å; I613-L632 HydrophobicContact CG2-CD1 4.45Å; I613-L632 HydrophobicContact CG2-CD2 4.38Å; V616-L632 HydrophobicContact CB-CD2 4.03Å; V616-L632 HydrophobicContact CG1-CD2 3.71Å; A617-L632 HydrophobicContact CB-CB 4.27Å; A617-L632 HydrophobicContact CB-CD2 4.16Å; A617-L632 HydrophobicContact CB-CG 3.98Å; A617-L632 VanDerWaalsContact CB-O 3.25Å; A617-L632 WeakPolarHBondContact CB-O 3.44Å; I620-L632 HydrophobicContact CD1-CB 4Å; I620-L632 HydrophobicContact CD1-CD2 4.33Å
633	I	97.7	Very high	96.2	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.2	174.3	62.8	159.5	0	0	0	111.5	M539 I545 L547 I593 I594 I595 K631	M539-I633 HydrophobicContact CE-CD1 3.83Å; I545-I633 HydrophobicContact CG2-CG2 4.13Å; L547-I633 HydrophobicContact CD1-CD1 4.33Å; L547-I633 HydrophobicContact CD2-CD1 4.19Å; L547-I633 HydrophobicContact CD2-CG2 4.3Å; I593-I633 PolarHBondContact O-N 3.13Å; I594-I633 HydrophobicContact CB-CD1 4.44Å; I594-I633 HydrophobicContact CB-CG1 4.16Å; I594-I633 HydrophobicContact CD1-CD1 4.4Å; I594-I633 HydrophobicContact CG1-CD1 3.98Å; I594-I633 HydrophobicContact CG1-CG1 3.85Å; I594-I633 HydrophobicContact CG2-CD1 3.97Å; I594-I633 HydrophobicContact CG2-CG1 4.04Å; I595-I633 PolarHBondContact N-O 3.31Å; K631-I633 HydrophobicContact CG-CG2 4.14Å
634	F	98.1	Very high	96.3	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.066	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.1	166.4	-168.4	-93	0	0	0	110.7	I164 V560 I595 G597 I610 I613 N614 R636	I164-F634 HydrophobicContact CD1-CD1 3.94Å; I164-F634 HydrophobicContact CD1-CE1 3.82Å; I164-F634 HydrophobicContact CG1-CD1 4.18Å; I164-F634 HydrophobicContact CG1-CE1 4.42Å; V560-F634 HydrophobicContact CG2-CZ 4.43Å; I595-F634 HydrophobicContact CG2-CD2 4.44Å; I595-F634 HydrophobicContact CG2-CE2 4.43Å; I595-F634 CarbonylContact O-C 3.57Å; I595-F634 WeakPolarHBondContact O-CA 3.32Å; G597-F634 WeakPolarHBondContact O-CZ 3.43Å; I610-F634 HydrophobicContact CB-CE2 4.35Å; I610-F634 HydrophobicContact CB-CZ 4.29Å; I610-F634 HydrophobicContact CD1-CZ 3.89Å; I610-F634 HydrophobicContact CG1-CE2 3.88Å; I610-F634 HydrophobicContact CG1-CZ 3.71Å; I610-F634 HydrophobicContact CG2-CD1 4.31Å; I610-F634 HydrophobicContact CG2-CD2 4.45Å; I610-F634 HydrophobicContact CG2-CE1 3.9Å; I610-F634 HydrophobicContact CG2-CE2 4.04Å; I610-F634 HydrophobicContact CG2-CZ 3.74Å; I613-F634 HydrophobicContact CB-CD2 4.38Å; I613-F634 HydrophobicContact CD1-CD2 4.38Å; I613-F634 HydrophobicContact CD1-CE2 4.46Å; I613-F634 HydrophobicContact CG2-CB 4.23Å; I613-F634 HydrophobicContact CG2-CD2 3.94Å; N614-F634 VanDerWaalsContact OD1-CB 3.29Å; N614-F634 WeakPolarHBondContact OD1-CB 3.29Å; F634-R636 PolarHBondContact O-N 3.29Å; F634-R636 VanDerWaalsContact O-N 3.12Å
635	L	96.5	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	91.4	-179.7	-168.7	72.4	0	0	0	110.5	F535 M539 R543 V557 I594 I595 Y638 L642	F535-L635 HydrophobicContact CZ-CD1 4.25Å; M539-L635 HydrophobicContact CE-CD1 3.76Å; M539-L635 HydrophobicContact SD-CD1 3.79Å; R543-L635 VanDerWaalsContact NH1-CD1 3.34Å; V557-L635 HydrophobicContact CG1-CD2 4.13Å; I594-L635 HydrophobicContact CG2-CB 4.03Å; I594-L635 HydrophobicContact CG2-CD2 4.38Å; I595-L635 PolarHBondContact O-N 3.34Å; L635-Y638 HydrophobicContact CD2-CD2 4.41Å; L635-L642 HydrophobicContact CD1-CD1 4.34Å; L635-L642 HydrophobicContact CD1-CD2 3.97Å; L635-L642 HydrophobicContact CD2-CD1 4.34Å; L635-L642 HydrophobicContact CD2-CD2 3.53Å; L635-L642 HydrophobicContact CD2-CG 3.83Å; L635-L642 HydrophobicContact CG-CD2 3.52Å; L635-L642 HydrophobicContact CG-CG 4.29Å
636	R	95.2	Very high	96.5	Very high	86 Å²	86	28 Å²	28	33%	0.325	14%	0.141	S	C	.	.			trans	-61.1	153.8	177.2	71.5	174.4	179.2	138.9	-2.1	113.8	M163 I164 R543 F634 Y638	M163-R636 PolarHBondContact SD-NH1 3.13Å; I164-R636 HydrophobicContact CG1-CB 3.62Å; R543-R636 VanDerWaalsContact CZ-O 3.3Å; R543-R636 PolarHBondContact NH1-O 2.74Å; R543-R636 PolarHBondContact NH2-O 3.21Å; F634-R636 PolarHBondContact O-N 3.29Å; F634-R636 VanDerWaalsContact O-N 3.12Å; R636-Y638 PolarHBondContact O-N 3.06Å
637	N	95.1	Very high	96.6	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.032	14%	0.14	C	C	.	.	S	Bend	trans	47.3	50.4	178.2	-155.1	19.1	0	0	0	114	H161 Q162 K598 R639	H161-N637 PolarHBondContact CE1-ND2 2.99Å; H161-N637 PolarHBondContact ND1-ND2 3.28Å; H161-N637 PolarHBondContact NE2-ND2 2.72Å; Q162-N637 HydrophobicContact CB-CB 4.13Å; Q162-N637 PolarHBondContact N-OD1 2.88Å; Q162-N637 WeakPolarHBondContact O-CB 3.37Å; K598-N637 WeakPolarHBondContact CE-OD1 3.17Å; K598-N637 PolarHBondContact NZ-OD1 2.95Å; N637-R639 PolarHBondContact ND2-NH1 2.91Å; N637-R639 VanDerWaalsContact ND2-NH1 3.17Å; N637-R639 PolarHBondContact O-N 2.87Å
638	Y	95.6	Very high	96.9	Very high	36 Å²	36	23 Å²	23	14%	0.141	11%	0.111	C	C	.	.			trans	-59.3	125.3	175	-177.6	-107.8	0	0	0	111	V557 K598 L635 R636 L642 A643 I646	V557-Y638 HydrophobicContact CB-CD2 3.92Å; V557-Y638 HydrophobicContact CB-CE1 4.34Å; V557-Y638 HydrophobicContact CB-CE2 3.61Å; V557-Y638 HydrophobicContact CB-CG 4.41Å; V557-Y638 HydrophobicContact CG1-CD2 4.25Å; V557-Y638 HydrophobicContact CG1-CE2 4.23Å; V557-Y638 HydrophobicContact CG2-CD2 4.45Å; V557-Y638 HydrophobicContact CG2-CE2 3.66Å; K598-Y638 WeakPolarHBondContact CE-O 3.24Å; L635-Y638 HydrophobicContact CD2-CD2 4.41Å; R636-Y638 PolarHBondContact O-N 3.06Å; Y638-L642 HydrophobicContact CD2-CD2 4.43Å; Y638-A643 HydrophobicContact CE2-CB 3.78Å; Y638-A643 WeakPolarHBondContact OH-CB 3.43Å; Y638-I646 HydrophobicContact CE2-CG2 4.26Å
639	R	95.1	Very high	97.2	Very high	58 Å²	58	20.7 Å²	20.7	22%	0.219	9%	0.086	C	C	.	.			trans	-153.5	-179.7	-175.1	64.1	-172.9	-179	-151.8	2.2	110	F84 D122 N637 S641 L642 A643	F84-R639 HydrophobicContact CE2-CB 4.5Å; F84-R639 HydrophobicContact CZ-CB 4.17Å; D122-R639 IonicContact OD1-NE 2.84Å; N637-R639 PolarHBondContact ND2-NH1 2.91Å; N637-R639 VanDerWaalsContact ND2-NH1 3.17Å; N637-R639 PolarHBondContact O-N 2.87Å; R639-S641 WeakPolarHBondContact CG-OG 3.48Å; R639-S641 PolarHBondContact NE-OG 3.2Å; R639-L642 HydrophobicContact CG-CB 4.25Å; R639-L642 PolarHBondContact O-N 3.3Å; R639-A643 WeakPolarHBondContact O-CB 3.48Å; R639-A643 PolarHBondContact O-N 2.81Å
640	V	97.1	Very high	97.3	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.024	7%	0.074	C	C	.	.	H	α-helix	trans	-64.2	-47.4	-173.8	177.9	0	0	0	0	111.6	F84 D122 W480 L642 A643 E644	F84-V640 HydrophobicContact CD1-CG2 4.15Å; F84-V640 HydrophobicContact CD2-CG2 3.63Å; F84-V640 HydrophobicContact CE1-CG2 4.3Å; F84-V640 HydrophobicContact CE2-CG2 3.81Å; F84-V640 HydrophobicContact CG-CG2 3.84Å; F84-V640 HydrophobicContact CZ-CG2 4.16Å; D122-V640 PolarHBondContact OD2-N 2.91Å; D122-V640 VanDerWaalsContact OD2-N 3.14Å; W480-V640 HydrophobicContact CH2-CG1 3.99Å; W480-V640 HydrophobicContact CZ2-CG1 4.29Å; V640-L642 PolarHBondContact O-N 3.17Å; V640-A643 WeakPolarHBondContact O-CA 3.39Å; V640-A643 WeakPolarHBondContact O-CB 3.31Å; V640-A643 PolarHBondContact O-N 2.76Å; V640-E644 HydrophobicContact CG1-CG 4.46Å; V640-E644 WeakPolarHBondContact O-CG 3.43Å; V640-E644 PolarHBondContact O-N 2.89Å
641	S	96.1	Very high	97.4	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-58.1	-37	177.4	50.2	0	0	0	0	113	D122 R639	D122-S641 VanDerWaalsContact CG-OG 3.32Å; D122-S641 WeakPolarHBondContact OD1-CB 3.18Å; D122-S641 PolarHBondContact OD1-OG 2.79Å; D122-S641 PolarHBondContact OD2-N 3.28Å; D122-S641 PolarHBondContact OD2-OG 3.11Å; R639-S641 WeakPolarHBondContact CG-OG 3.48Å; R639-S641 PolarHBondContact NE-OG 3.2Å
642	L	96.1	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-73.6	-37	176.3	-171.1	58.5	0	0	0	111.9	Y538 R543 L635 Y638 R639 V640 E644 R645 I646	Y538-L642 HydrophobicContact CE1-CD1 3.71Å; R543-L642 VanDerWaalsContact NH2-CD2 3.26Å; L635-L642 HydrophobicContact CD1-CD1 4.34Å; L635-L642 HydrophobicContact CD1-CD2 3.97Å; L635-L642 HydrophobicContact CD2-CD1 4.34Å; L635-L642 HydrophobicContact CD2-CD2 3.53Å; L635-L642 HydrophobicContact CD2-CG 3.83Å; L635-L642 HydrophobicContact CG-CD2 3.52Å; L635-L642 HydrophobicContact CG-CG 4.29Å; Y638-L642 HydrophobicContact CD2-CD2 4.43Å; R639-L642 HydrophobicContact CG-CB 4.25Å; R639-L642 PolarHBondContact O-N 3.3Å; V640-L642 PolarHBondContact O-N 3.17Å; L642-E644 VanDerWaalsContact C-N 3.32Å; L642-E644 PolarHBondContact O-N 2.94Å; L642-R645 PolarHBondContact O-N 3.47Å; L642-R645 VanDerWaalsContact O-N 3.14Å; L642-I646 WeakPolarHBondContact O-CG2 3.22Å; L642-I646 PolarHBondContact O-N 2.78Å
643	A	98.1	Very high	97.4	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.017	7%	0.065	C	C	.	.	H	α-helix	trans	-60.5	-41.3	174.3	0	0	0	0	0	111.7	W480 Y638 R639 V640 R645 I646 I647	W480-A643 HydrophobicContact CH2-CB 3.83Å; W480-A643 HydrophobicContact CZ3-CB 3.87Å; Y638-A643 HydrophobicContact CE2-CB 3.78Å; Y638-A643 WeakPolarHBondContact OH-CB 3.43Å; R639-A643 WeakPolarHBondContact O-CB 3.48Å; R639-A643 PolarHBondContact O-N 2.81Å; V640-A643 WeakPolarHBondContact O-CA 3.39Å; V640-A643 WeakPolarHBondContact O-CB 3.31Å; V640-A643 PolarHBondContact O-N 2.76Å; A643-R645 PolarHBondContact O-N 2.9Å; A643-I646 PolarHBondContact O-N 2.82Å; A643-I647 HydrophobicContact CB-CD1 3.94Å; A643-I647 VanDerWaalsContact O-CB 3.29Å; A643-I647 WeakPolarHBondContact O-CB 3.36Å; A643-I647 WeakPolarHBondContact O-CD1 3.47Å; A643-I647 VanDerWaalsContact O-CG1 3.23Å; A643-I647 WeakPolarHBondContact O-CG1 3.48Å; A643-I647 PolarHBondContact O-N 2.99Å
644	E	98	Very high	97.4	Very high	24 Å²	24	15.1 Å²	15.1	11%	0.112	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-21.8	175.6	-71.8	170.4	174	0	0	112.9	R479 W480 C484 V640 L642 P648	R479-E644 VanDerWaalsContact CD-OE1 3.26Å; R479-E644 WeakPolarHBondContact CD-OE1 3.45Å; R479-E644 VanDerWaalsContact CG-OE1 3.24Å; R479-E644 WeakPolarHBondContact CG-OE1 3.2Å; R479-E644 IonicContact CZ-OE1 2.76Å; R479-E644 IonicContact NE-OE1 2.99Å; R479-E644 IonicContact NH1-OE1 3.58Å; R479-E644 PolarHBondContact NH1-OE1 3.11Å; W480-E644 HydrophobicContact CH2-CG 4.49Å; W480-E644 HydrophobicContact CZ3-CG 3.99Å; C484-E644 HydrophobicContact CB-CB 3.95Å; C484-E644 HydrophobicContact CB-CG 4.16Å; C484-E644 WeakPolarHBondContact CB-O 3.31Å; V640-E644 HydrophobicContact CG1-CG 4.46Å; V640-E644 WeakPolarHBondContact O-CG 3.43Å; V640-E644 PolarHBondContact O-N 2.89Å; L642-E644 VanDerWaalsContact C-N 3.32Å; L642-E644 PolarHBondContact O-N 2.94Å; E644-P648 VanDerWaalsContact O-CD 3.23Å; E644-P648 WeakPolarHBondContact O-CD 3.34Å; E644-P648 VanDerWaalsContact O-CG 3.31Å; E644-P648 WeakPolarHBondContact O-CG 3.28Å
645	R	97.3	Very high	97.5	Very high	75 Å²	75	15.1 Å²	15.1	28%	0.283	6%	0.062	S	C	.	.	H	α-helix	trans	-93	-45.6	176.7	-64.9	177.2	170.6	-79	-5	113.2	E118 F535 L642 A643	E118-R645 IonicContact OE1-CZ 2.65Å; E118-R645 IonicContact OE1-NE 3.96Å; E118-R645 IonicContact OE1-NH2 2.97Å; E118-R645 PolarHBondContact OE1-NH2 3.05Å; F535-R645 HydrophobicContact CD2-CB 4.13Å; L642-R645 PolarHBondContact O-N 3.47Å; L642-R645 VanDerWaalsContact O-N 3.14Å; A643-R645 PolarHBondContact O-N 2.9Å
646	I	98.2	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-77	-34.1	-175.3	-172.8	52.4	0	0	0	113.1	F535 V555 V557 I594 Y638 L642 A643 A649 T650	F535-I646 HydrophobicContact CD1-CD1 4.05Å; F535-I646 HydrophobicContact CD2-CB 4.38Å; F535-I646 HydrophobicContact CD2-CD1 4.29Å; F535-I646 HydrophobicContact CE1-CD1 3.66Å; F535-I646 HydrophobicContact CE2-CB 3.94Å; F535-I646 HydrophobicContact CE2-CD1 3.93Å; F535-I646 HydrophobicContact CE2-CG1 4.39Å; F535-I646 HydrophobicContact CG-CD1 4.35Å; F535-I646 HydrophobicContact CZ-CB 4.35Å; F535-I646 HydrophobicContact CZ-CD1 3.6Å; F535-I646 HydrophobicContact CZ-CG1 4.32Å; V555-I646 HydrophobicContact CG1-CD1 4.43Å; V555-I646 HydrophobicContact CG1-CG1 3.84Å; V555-I646 HydrophobicContact CG2-CD1 4.04Å; V555-I646 HydrophobicContact CG2-CG1 4.32Å; V557-I646 HydrophobicContact CG2-CG2 4.36Å; I594-I646 HydrophobicContact CD1-CD1 3.84Å; Y638-I646 HydrophobicContact CE2-CG2 4.26Å; L642-I646 WeakPolarHBondContact O-CG2 3.22Å; L642-I646 PolarHBondContact O-N 2.78Å; A643-I646 PolarHBondContact O-N 2.82Å; I646-A649 PolarHBondContact O-N 2.92Å; I646-T650 PolarHBondContact O-N 3.4Å; I646-T650 VanDerWaalsContact O-N 3.11Å; I646-T650 PolarHBondContact O-OG1 3.08Å
647	I	98.7	Very high	97.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.4	-49.4	-177.5	-69.6	165.6	0	0	0	111.7	W480 A643 A649 T650 K670 F671 N674	W480-I647 HydrophobicContact CE3-CD1 3.93Å; W480-I647 HydrophobicContact CH2-CD1 4.47Å; W480-I647 HydrophobicContact CZ3-CD1 3.64Å; A643-I647 HydrophobicContact CB-CD1 3.94Å; A643-I647 VanDerWaalsContact O-CB 3.29Å; A643-I647 WeakPolarHBondContact O-CB 3.36Å; A643-I647 WeakPolarHBondContact O-CD1 3.47Å; A643-I647 VanDerWaalsContact O-CG1 3.23Å; A643-I647 WeakPolarHBondContact O-CG1 3.48Å; A643-I647 PolarHBondContact O-N 2.99Å; I647-A649 VanDerWaalsContact C-N 3.25Å; I647-A649 PolarHBondContact O-N 3.2Å; I647-T650 PolarHBondContact O-N 3.08Å; I647-K670 HydrophobicContact CD1-CB 3.83Å; I647-K670 HydrophobicContact CD1-CD 3.73Å; I647-K670 HydrophobicContact CD1-CG 4.39Å; I647-K670 HydrophobicContact CG2-CB 4.04Å; I647-K670 WeakPolarHBondContact CG2-O 3.47Å; I647-F671 HydrophobicContact CB-CD1 4.43Å; I647-F671 HydrophobicContact CB-CE1 4.19Å; I647-F671 HydrophobicContact CG1-CD1 4.28Å; I647-F671 HydrophobicContact CG1-CE1 3.77Å; I647-F671 HydrophobicContact CG1-CE2 4.35Å; I647-F671 HydrophobicContact CG1-CZ 3.82Å; I647-F671 HydrophobicContact CG2-CD1 4.16Å; I647-F671 HydrophobicContact CG2-CE1 4.41Å; I647-N674 HydrophobicContact CG2-CB 3.97Å
648	P	98.7	Very high	97.6	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.019	5%	0.047	C	C	.	.	H	α-helix	trans	-61.1	-31	176	-24.5	35	0	0	0	114.1	C484 N485 K528 N531 E644	C484-P648 HydrophobicContact CB-CG 4.06Å; C484-P648 VanDerWaalsContact O-CG 3.28Å; C484-P648 WeakPolarHBondContact O-CG 3.48Å; N485-P648 HydrophobicContact CB-CB 4.17Å; N485-P648 HydrophobicContact CB-CG 4.16Å; K528-P648 WeakPolarHBondContact CD-O 3.35Å; K528-P648 PolarHBondContact NZ-O 3.13Å; N531-P648 HydrophobicContact CB-CB 4.02Å; N531-P648 WeakPolarHBondContact CB-O 3.43Å; N531-P648 WeakPolarHBondContact ND2-CB 3.47Å; N531-P648 PolarHBondContact ND2-O 3.5Å; E644-P648 VanDerWaalsContact O-CD 3.23Å; E644-P648 WeakPolarHBondContact O-CD 3.34Å; E644-P648 VanDerWaalsContact O-CG 3.31Å; E644-P648 WeakPolarHBondContact O-CG 3.28Å
649	A	98.7	Very high	97.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-83.4	-11	-177.9	0	0	0	0	0	114.4	N531 K532 F535 F553 I646 I647	N531-A649 HydrophobicContact CB-CB 4.48Å; K532-A649 HydrophobicContact CG-CB 4.21Å; K532-A649 WeakPolarHBondContact CG-O 3.49Å; F535-A649 HydrophobicContact CB-CB 3.69Å; F535-A649 HydrophobicContact CG-CB 4.15Å; F553-A649 HydrophobicContact CD2-CB 4.32Å; F553-A649 WeakPolarHBondContact CD2-O 3.24Å; I646-A649 PolarHBondContact O-N 2.92Å; I647-A649 VanDerWaalsContact C-N 3.25Å; I647-A649 PolarHBondContact O-N 3.2Å
650	T	98.8	Very high	97.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.			trans	-78.7	136.9	-172.8	-65.3	0	0	0	0	112.1	K528 V555 I646 I647 L652 F671 A676	K528-T650 WeakPolarHBondContact CE-O 3.42Å; K528-T650 PolarHBondContact NZ-O 2.95Å; V555-T650 HydrophobicContact CB-CG2 3.7Å; V555-T650 HydrophobicContact CG2-CG2 3.66Å; V555-T650 VanDerWaalsContact CG2-OG1 3.28Å; V555-T650 WeakPolarHBondContact CG2-OG1 3.26Å; I646-T650 PolarHBondContact O-N 3.4Å; I646-T650 VanDerWaalsContact O-N 3.11Å; I646-T650 PolarHBondContact O-OG1 3.08Å; I647-T650 PolarHBondContact O-N 3.08Å; T650-L652 WeakPolarHBondContact CG2-O 3.23Å; T650-F671 HydrophobicContact CG2-CD1 3.73Å; T650-F671 HydrophobicContact CG2-CE1 3.64Å; T650-F671 VanDerWaalsContact OG1-CE1 3.3Å; T650-F671 WeakPolarHBondContact OG1-CE1 3.44Å; T650-A676 HydrophobicContact CG2-CB 3.8Å; T650-A676 WeakPolarHBondContact O-CB 3.48Å
651	D	98.8	Very high	97.1	Very high	5 Å²	5	7.8 Å²	7.8	3%	0.027	4%	0.041	C	C	.	.	S	Bend	trans	-93.8	-48.7	172.8	-66.6	-49.7	0	0	0	110.8	K532 L552 F553 A676 L677 Y781 W787	K532-D651 VanDerWaalsContact CE-OD2 3.32Å; K532-D651 WeakPolarHBondContact CE-OD2 3.26Å; K532-D651 IonicContact NZ-OD1 2.91Å; K532-D651 IonicContact NZ-OD2 3.99Å; K532-D651 PolarHBondContact NZ-OD2 3.24Å; L552-D651 HydrophobicContact CG-CB 4.25Å; F553-D651 PolarHBondContact N-OD2 3.17Å; F553-D651 PolarHBondContact O-N 3.14Å; F553-D651 VanDerWaalsContact O-N 3.14Å; D651-A676 WeakPolarHBondContact O-CA 3.28Å; D651-L677 PolarHBondContact O-N 3.39Å; D651-Y781 HydrophobicContact CB-CE2 4.4Å; D651-W787 HydrophobicContact CB-CZ2 3.92Å; D651-W787 WeakPolarHBondContact O-CZ2 3.35Å
652	L	98.8	Very high	96.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.3	179.2	-172.5	76.5	0	0	0	110.8	L552 F553 V555 T650 L677 I679 F699 V777	L552-L652 HydrophobicContact CD2-CB 3.97Å; F553-L652 PolarHBondContact O-N 3.42Å; V555-L652 PolarHBondContact N-O 3.33Å; T650-L652 WeakPolarHBondContact CG2-O 3.23Å; L652-L677 CarbonylContact C-O 3.54Å; L652-L677 WeakPolarHBondContact CA-O 3.41Å; L652-L677 HydrophobicContact CD1-CB 4.36Å; L652-I679 HydrophobicContact CD1-CB 4.1Å; L652-I679 HydrophobicContact CD1-CG2 4.01Å; L652-I679 HydrophobicContact CD2-CB 4.38Å; L652-I679 HydrophobicContact CD2-CG2 3.69Å; L652-I679 HydrophobicContact CG-CB 4.42Å; L652-I679 HydrophobicContact CG-CG2 3.78Å; L652-F699 HydrophobicContact CD1-CD2 3.92Å; L652-F699 HydrophobicContact CD1-CE2 4.06Å; L652-V777 HydrophobicContact CD1-CG1 4.01Å; L652-V777 HydrophobicContact CD1-CG2 3.82Å; L652-V777 HydrophobicContact CD2-CB 4.49Å; L652-V777 HydrophobicContact CD2-CG1 3.77Å; L652-V777 HydrophobicContact CD2-CG2 4.03Å; L652-V777 HydrophobicContact CG-CG1 4.39Å
653	S	98.7	Very high	96.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.3	178	-168.6	0	0	0	0	111.6	Q655 F671 L677 I679	S653-Q655 PolarHBondContact O-N 2.88Å; S653-Q655 PolarHBondContact OG-NE2 2.83Å; S653-F671 WeakPolarHBondContact OG-CD2 3.27Å; S653-F671 WeakPolarHBondContact OG-CE2 3.39Å; S653-F671 WeakPolarHBondContact OG-CG 3.37Å; S653-L677 PolarHBondContact N-O 2.81Å; S653-I679 PolarHBondContact O-N 3.3Å
654	E	98.7	Very high	96.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	98.5	-178.7	-71.4	-78	-169.2	0	0	111.3	D554 V555 H556 K558 I656 I679 Y770 Q774	D554-E654 VanDerWaalsContact OD1-CG 3.27Å; D554-E654 WeakPolarHBondContact OD1-CG 3.42Å; V555-E654 PolarHBondContact O-N 3.23Å; H556-E654 HydrophobicContact CB-CB 3.74Å; H556-E654 HydrophobicContact CB-CG 4.21Å; H556-E654 WeakPolarHBondContact ND1-CB 3.36Å; K558-E654 PolarHBondContact NZ-O 2.96Å; E654-I656 VanDerWaalsContact OE2-CG2 3.22Å; E654-I656 WeakPolarHBondContact OE2-CG2 3.44Å; E654-I679 VanDerWaalsContact CD-CG2 3.46Å; E654-I679 HydrophobicContact CG-CG2 4.17Å; E654-I679 VanDerWaalsContact OE2-CG2 3.27Å; E654-I679 WeakPolarHBondContact OE2-CG2 3.49Å; E654-Y770 VanDerWaalsContact CD-OH 3.3Å; E654-Y770 PolarHBondContact OE1-OH 2.87Å; E654-Y770 PolarHBondContact OE2-OH 2.87Å; E654-Q774 PolarHBondContact OE1-NE2 2.76Å
655	Q	98.2	Very high	95.9	Very high	14 Å²	14	9.4 Å²	9.4	7%	0.065	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	66.6	-179.2	-54.2	-60.2	-16.9	0	0	111	S653 P657 N668 T678 I679 G680 T681 N686	S653-Q655 PolarHBondContact O-N 2.88Å; S653-Q655 PolarHBondContact OG-NE2 2.83Å; Q655-P657 WeakPolarHBondContact O-CD 3.38Å; Q655-N668 HydrophobicContact CB-CB 4.49Å; Q655-N668 HydrophobicContact CG-CB 3.66Å; Q655-T678 HydrophobicContact CB-CG2 3.76Å; Q655-T678 HydrophobicContact CG-CG2 3.64Å; Q655-I679 PolarHBondContact N-O 2.94Å; Q655-G680 WeakPolarHBondContact O-CA 3.34Å; Q655-T681 PolarHBondContact O-N 3.16Å; Q655-N686 WeakPolarHBondContact CB-OD1 3.36Å; Q655-N686 PolarHBondContact O-ND2 2.86Å
656	I	98.3	Very high	95.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.044	C	C	.	.			trans	-115.2	39.3	-161.3	61.2	172	0	0	0	115.3	R565 L568 P569 E654 F701 Y770	R565-I656 PolarHBondContact NE-O 2.79Å; R565-I656 PolarHBondContact NH2-O 3Å; R565-I656 WeakPolarHBondContact O-CD1 3.5Å; L568-I656 HydrophobicContact CB-CD1 3.81Å; L568-I656 HydrophobicContact CD1-CD1 4.16Å; P569-I656 VanDerWaalsContact CD-CD1 3.47Å; P569-I656 HydrophobicContact CG-CD1 4.23Å; E654-I656 VanDerWaalsContact OE2-CG2 3.22Å; E654-I656 WeakPolarHBondContact OE2-CG2 3.44Å; I656-F701 HydrophobicContact CB-CE1 4.27Å; I656-F701 HydrophobicContact CB-CZ 3.88Å; I656-F701 HydrophobicContact CG2-CE1 3.43Å; I656-F701 VanDerWaalsContact CG2-CE1 3.43Å; I656-F701 HydrophobicContact CG2-CZ 3.49Å; I656-F701 VanDerWaalsContact CG2-CZ 3.49Å; I656-Y770 HydrophobicContact CG2-CE2 4.49Å
657	P	96.6	Very high	95.7	Very high	8 Å²	8	7.4 Å²	7.4	5%	0.052	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-61.8	156	173.7	32.3	-35.4	0	0	0	111.1	Y563 R565 Q655 V659 E662 T681 D683	Y563-P657 HydrophobicContact CD2-CB 4.27Å; Y563-P657 CarbonylContact O-C 3.59Å; Y563-P657 VanDerWaalsContact O-CA 3.27Å; Y563-P657 WeakPolarHBondContact O-CA 3.46Å; R565-P657 PolarHBondContact NH2-O 3.49Å; Q655-P657 WeakPolarHBondContact O-CD 3.38Å; P657-V659 PolarHBondContact O-N 3.35Å; P657-E662 HydrophobicContact CB-CB 3.97Å; P657-E662 HydrophobicContact CG-CB 3.77Å; P657-T681 WeakPolarHBondContact O-CG2 3.24Å; P657-T681 PolarHBondContact O-OG1 3.4Å; P657-D683 HydrophobicContact CG-CB 3.97Å; P657-D683 WeakPolarHBondContact CG-OD2 3.3Å
658	C	95.9	Very high	95.6	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.007	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-62.4	132.8	168.4	-179.7	0	0	0	0	109	Y563 G660 T661 F761	Y563-C658 PolarHBondContact O-N 2.67Å; C658-G660 PolarHBondContact O-N 3.36Å; C658-T661 HydrophobicContact CB-CG2 4.12Å; C658-T661 WeakPolarHBondContact O-CB 3.44Å; C658-T661 WeakPolarHBondContact O-CG2 3.49Å; C658-T661 PolarHBondContact O-N 2.97Å; C658-T661 PolarHBondContact O-OG1 2.94Å; C658-F761 HydrophobicContact CB-CB 3.99Å; C658-F761 HydrophobicContact CB-CD1 4.36Å; C658-F761 PolarHBondContact SG-O 3.34Å
659	V	94.5	Very high	95.5	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.018	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	133.1	-174.9	175.8	0	0	0	0	111.4	P657 T681 D683 R703 I705 V708	P657-V659 PolarHBondContact O-N 3.35Å; V659-T681 HydrophobicContact CG2-CG2 4.11Å; V659-D683 HydrophobicContact CG2-CB 4.28Å; V659-R703 WeakPolarHBondContact CG2-O 3.31Å; V659-I705 HydrophobicContact CG1-CB 3.8Å; V659-I705 HydrophobicContact CG1-CD1 4.13Å; V659-V708 HydrophobicContact CB-CG2 4.29Å
660	G	90	Very high	95.5	Very high	18 Å²	18	8.1 Å²	8.1	19%	0.186	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	10.7	-175.8	0	0	0	0	0	114.9	C658 D683	C658-G660 PolarHBondContact O-N 3.36Å; G660-D683 WeakPolarHBondContact CA-OD1 3.29Å; G660-D683 PolarHBondContact N-OD1 3.49Å
661	T	91.5	Very high	95.5	Very high	6 Å²	6	8.1 Å²	8.1	4%	0.037	6%	0.057	C	C	.	.	S	Bend	trans	-116.2	-32	-174.6	64.3	0	0	0	0	114.3	Y563 C658 D683	Y563-T661 WeakPolarHBondContact CD2-OG1 3.38Å; C658-T661 HydrophobicContact CB-CG2 4.12Å; C658-T661 WeakPolarHBondContact O-CB 3.44Å; C658-T661 WeakPolarHBondContact O-CG2 3.49Å; C658-T661 PolarHBondContact O-N 2.97Å; C658-T661 PolarHBondContact O-OG1 2.94Å; T661-D683 PolarHBondContact N-OD2 3.37Å
662	E	91.5	Very high	95.5	Very high	34 Å²	34	7.9 Å²	7.9	16%	0.159	6%	0.056	C	C	.	.			trans	-94.4	120.1	176.6	-168.5	84.8	170.5	0	0	111	Y563 K564 P657 S664 D683 G684	Y563-E662 VanDerWaalsContact CE2-OE2 3.28Å; Y563-E662 WeakPolarHBondContact CE2-OE2 3.31Å; Y563-E662 PolarHBondContact OH-OE2 2.89Å; Y563-E662 VanDerWaalsContact OH-OE2 3.07Å; K564-E662 WeakPolarHBondContact CE-OE2 3.43Å; K564-E662 VanDerWaalsContact NZ-CD 3.29Å; K564-E662 IonicContact NZ-OE1 3.29Å; K564-E662 PolarHBondContact NZ-OE1 2.91Å; K564-E662 IonicContact NZ-OE2 3.51Å; K564-E662 PolarHBondContact NZ-OE2 2.86Å; P657-E662 HydrophobicContact CB-CB 3.97Å; P657-E662 HydrophobicContact CG-CB 3.77Å; E662-S664 VanDerWaalsContact C-N 3.31Å; E662-S664 PolarHBondContact O-N 3.47Å; E662-D683 WeakPolarHBondContact CB-OD2 3.31Å; E662-D683 PolarHBondContact N-OD2 3Å; E662-G684 WeakPolarHBondContact O-CA 3.27Å; E662-G684 PolarHBondContact O-N 2.8Å
663	A	91.3	Very high	95.5	Very high	11 Å²	11	8 Å²	8	9%	0.091	6%	0.056	C	C	.	.	S	Bend	trans	-63.8	-33.7	178.5	0	0	0	0	0	113.6	H366 S368 V444 S445 Q448	H366-A663 VanDerWaalsContact O-CB 3.27Å; H366-A663 WeakPolarHBondContact O-CB 3.27Å; S368-A663 VanDerWaalsContact OG-CA 3.22Å; S368-A663 WeakPolarHBondContact OG-CA 3.43Å; S368-A663 WeakPolarHBondContact OG-CB 3.44Å; S368-A663 PolarHBondContact OG-N 3.06Å; V444-A663 HydrophobicContact CG2-CB 3.73Å; S445-A663 VanDerWaalsContact CB-O 3.27Å; S445-A663 WeakPolarHBondContact CB-O 3.37Å; S445-A663 PolarHBondContact OG-O 3.19Å; Q448-A663 HydrophobicContact CB-CB 4.29Å; Q448-A663 WeakPolarHBondContact CB-O 3.39Å; Q448-A663 HydrophobicContact CG-CB 3.81Å
664	S	92.1	Very high	95.5	Very high	5 Å²	5	8 Å²	8	4%	0.035	6%	0.057	C	C	.	.			trans	-157.4	-74.6	-178.6	161.7	0	0	0	0	110.8	V444 N473 E662 S685	V444-S664 WeakPolarHBondContact O-CB 3.45Å; N473-S664 PolarHBondContact ND2-OG 3.04Å; E662-S664 VanDerWaalsContact C-N 3.31Å; E662-S664 PolarHBondContact O-N 3.47Å; S664-S685 WeakPolarHBondContact CA-OG 3.25Å; S664-S685 WeakPolarHBondContact CB-OG 3.28Å; S664-S685 VanDerWaalsContact O-CB 3.29Å; S664-S685 WeakPolarHBondContact O-CB 3.3Å; S664-S685 PolarHBondContact O-N 3.13Å; S664-S685 PolarHBondContact O-OG 3.16Å; S664-S685 PolarHBondContact OG-OG 2.86Å
665	G	89	Confident	95.4	Very high	15 Å²	15	8.1 Å²	8.1	16%	0.155	6%	0.057	C	C	.	.			trans	84.6	122.5	-169.4	0	0	0	0	0	111.2	N668	G665-N668 VanDerWaalsContact C-OD1 3.28Å; G665-N668 PolarHBondContact O-ND2 3.43Å; G665-N668 PolarHBondContact O-OD1 2.81Å
666	T	95.3	Very high	95.5	Very high	11 Å²	11	7.4 Å²	7.4	7%	0.067	5%	0.054	C	C	.	.	S	Bend	trans	-106.9	-9.4	176.1	55.1	0	0	0	0	112.8	L133 N473 M669 K670	L133-T666 HydrophobicContact CD1-CG2 4.41Å; N473-T666 HydrophobicContact CB-CG2 3.91Å; T666-M669 HydrophobicContact CG2-SD 4.32Å; T666-K670 WeakPolarHBondContact O-CG 3.43Å; T666-K670 PolarHBondContact O-N 3.1Å
667	G	95.7	Very high	95.5	Very high	22 Å²	22	7.4 Å²	7.4	23%	0.227	5%	0.054	C	C	.	.	H	α-helix	trans	-64	-46.5	175.6	0	0	0	0	0	111.7	M669 K670 F671	G667-M669 VanDerWaalsContact C-N 3.32Å; G667-M669 PolarHBondContact O-N 2.91Å; G667-K670 WeakPolarHBondContact O-CB 3.36Å; G667-K670 PolarHBondContact O-N 3.28Å; G667-F671 WeakPolarHBondContact O-CD2 3.33Å; G667-F671 PolarHBondContact O-N 3.26Å; G667-F671 VanDerWaalsContact O-N 3.13Å
668	N	95.9	Very high	95.6	Very high	2 Å²	2	7 Å²	7	1%	0.011	5%	0.052	C	C	.	.	H	α-helix	trans	-52.2	-44.1	175	55.2	1.1	0	0	0	112.8	Q655 G665 K670 F671 M672 N686 I689	Q655-N668 HydrophobicContact CB-CB 4.49Å; Q655-N668 HydrophobicContact CG-CB 3.66Å; G665-N668 VanDerWaalsContact C-OD1 3.28Å; G665-N668 PolarHBondContact O-ND2 3.43Å; G665-N668 PolarHBondContact O-OD1 2.81Å; N668-K670 VanDerWaalsContact C-N 3.3Å; N668-K670 PolarHBondContact O-N 2.84Å; N668-F671 PolarHBondContact O-N 3.26Å; N668-M672 WeakPolarHBondContact O-CB 3.18Å; N668-M672 PolarHBondContact O-N 3.43Å; N668-N686 PolarHBondContact ND2-OD1 3.29Å; N668-I689 HydrophobicContact CB-CD1 3.59Å; N668-I689 VanDerWaalsContact CG-CD1 3.42Å
669	M	98.2	Very high	95.7	Very high	1 Å²	1	7 Å²	7	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-61.3	-38.3	177.7	-59.5	171.1	-173.2	0	0	111.7	N473 I475 T666 G667 L673 S685 I689 F801	N473-M669 HydrophobicContact CB-CE 4.13Å; N473-M669 WeakPolarHBondContact O-CE 3.11Å; I475-M669 HydrophobicContact CD1-CB 3.94Å; I475-M669 HydrophobicContact CG1-CB 4.18Å; I475-M669 HydrophobicContact CG2-CB 4.18Å; I475-M669 HydrophobicContact CG2-SD 4.42Å; T666-M669 HydrophobicContact CG2-SD 4.32Å; G667-M669 VanDerWaalsContact C-N 3.32Å; G667-M669 PolarHBondContact O-N 2.91Å; M669-L673 WeakPolarHBondContact O-CB 3.4Å; M669-L673 PolarHBondContact O-N 2.9Å; M669-S685 WeakPolarHBondContact CE-OG 3.44Å; M669-I689 HydrophobicContact CG-CD1 4.35Å; M669-F801 HydrophobicContact CB-CB 4.01Å; M669-F801 HydrophobicContact CB-CG 4.47Å; M669-F801 HydrophobicContact CE-CD1 3.8Å; M669-F801 HydrophobicContact CE-CE1 4.4Å; M669-F801 HydrophobicContact CG-CB 3.8Å; M669-F801 HydrophobicContact CG-CD1 3.94Å; M669-F801 HydrophobicContact CG-CG 3.89Å; M669-F801 HydrophobicContact SD-CB 3.93Å; M669-F801 HydrophobicContact SD-CD1 4.01Å; M669-F801 HydrophobicContact SD-CG 4.28Å
670	K	98.6	Very high	95.9	Very high	14 Å²	14	6.9 Å²	6.9	6%	0.061	5%	0.051	C	C	.	.	H	α-helix	trans	-69.6	-41.5	179.7	-56.8	165.3	-169.7	-178.9	0	111.1	I475 W480 I647 T666 G667 N668 N674	I475-K670 HydrophobicContact CB-CG 4.45Å; I475-K670 VanDerWaalsContact CD1-CA 3.46Å; I475-K670 HydrophobicContact CD1-CB 4.05Å; I475-K670 HydrophobicContact CD1-CG 3.6Å; I475-K670 HydrophobicContact CG2-CG 3.96Å; W480-K670 HydrophobicContact CB-CG 4.27Å; W480-K670 HydrophobicContact CD2-CD 3.62Å; W480-K670 HydrophobicContact CD2-CG 3.85Å; W480-K670 VanDerWaalsContact CE2-CE 3.43Å; W480-K670 HydrophobicContact CE3-CD 3.78Å; W480-K670 HydrophobicContact CE3-CG 4.19Å; W480-K670 HydrophobicContact CG-CD 4.18Å; W480-K670 HydrophobicContact CG-CG 3.89Å; W480-K670 HydrophobicContact CH2-CD 4.14Å; W480-K670 HydrophobicContact CZ2-CD 3.99Å; W480-K670 HydrophobicContact CZ3-CD 4.05Å; I647-K670 HydrophobicContact CD1-CB 3.83Å; I647-K670 HydrophobicContact CD1-CD 3.73Å; I647-K670 HydrophobicContact CD1-CG 4.39Å; I647-K670 HydrophobicContact CG2-CB 4.04Å; I647-K670 WeakPolarHBondContact CG2-O 3.47Å; T666-K670 WeakPolarHBondContact O-CG 3.43Å; T666-K670 PolarHBondContact O-N 3.1Å; G667-K670 WeakPolarHBondContact O-CB 3.36Å; G667-K670 PolarHBondContact O-N 3.28Å; N668-K670 VanDerWaalsContact C-N 3.3Å; N668-K670 PolarHBondContact O-N 2.84Å; K670-N674 PolarHBondContact O-N 3.36Å; K670-N674 PolarHBondContact O-ND2 3.5Å
671	F	98.7	Very high	96.2	Very high	1 Å²	1	6 Å²	6	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-63.3	-48.1	175.7	-77.6	-65.3	0	0	0	111.5	V555 V557 I647 T650 S653 G667 N668 L673 N674 G675 A676	V555-F671 HydrophobicContact CG1-CE1 4.42Å; V555-F671 HydrophobicContact CG1-CZ 4.13Å; V557-F671 HydrophobicContact CG2-CE2 4.14Å; V557-F671 HydrophobicContact CG2-CZ 3.69Å; I647-F671 HydrophobicContact CB-CD1 4.43Å; I647-F671 HydrophobicContact CB-CE1 4.19Å; I647-F671 HydrophobicContact CG1-CD1 4.28Å; I647-F671 HydrophobicContact CG1-CE1 3.77Å; I647-F671 HydrophobicContact CG1-CE2 4.35Å; I647-F671 HydrophobicContact CG1-CZ 3.82Å; I647-F671 HydrophobicContact CG2-CD1 4.16Å; I647-F671 HydrophobicContact CG2-CE1 4.41Å; T650-F671 HydrophobicContact CG2-CD1 3.73Å; T650-F671 HydrophobicContact CG2-CE1 3.64Å; T650-F671 VanDerWaalsContact OG1-CE1 3.3Å; T650-F671 WeakPolarHBondContact OG1-CE1 3.44Å; S653-F671 WeakPolarHBondContact OG-CD2 3.27Å; S653-F671 WeakPolarHBondContact OG-CE2 3.39Å; S653-F671 WeakPolarHBondContact OG-CG 3.37Å; G667-F671 WeakPolarHBondContact O-CD2 3.33Å; G667-F671 PolarHBondContact O-N 3.26Å; G667-F671 VanDerWaalsContact O-N 3.13Å; N668-F671 PolarHBondContact O-N 3.26Å; F671-L673 PolarHBondContact O-N 2.97Å; F671-N674 CarbonylContact O-C 3.6Å; F671-N674 PolarHBondContact O-N 3.45Å; F671-N674 VanDerWaalsContact O-N 3.11Å; F671-G675 PolarHBondContact O-N 2.91Å; F671-A676 HydrophobicContact CB-CB 3.9Å; F671-A676 HydrophobicContact CD1-CB 3.9Å; F671-A676 HydrophobicContact CG-CB 4.36Å; F671-A676 PolarHBondContact O-N 2.98Å
672	M	98.1	Very high	96.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55.2	-49.2	175.4	-178.6	-168.9	-174.1	0	0	111.7	N668 N674 G675 I689 V693 N794 A797 A798 F801	N668-M672 WeakPolarHBondContact O-CB 3.18Å; N668-M672 PolarHBondContact O-N 3.43Å; M672-N674 PolarHBondContact O-N 2.83Å; M672-G675 PolarHBondContact O-N 3.45Å; M672-G675 VanDerWaalsContact O-N 3.09Å; M672-I689 HydrophobicContact CE-CG2 4.41Å; M672-I689 HydrophobicContact SD-CB 4.43Å; M672-I689 HydrophobicContact SD-CG1 4Å; M672-I689 HydrophobicContact SD-CG2 3.87Å; M672-V693 HydrophobicContact CE-CB 4.25Å; M672-N794 WeakPolarHBondContact CE-O 3.34Å; M672-N794 HydrophobicContact CG-CB 4.17Å; M672-N794 WeakPolarHBondContact CG-O 3.37Å; M672-A797 VanDerWaalsContact CE-C 3.42Å; M672-A797 HydrophobicContact CE-CB 3.55Å; M672-A798 HydrophobicContact CE-CB 4.34Å; M672-A798 HydrophobicContact CG-CB 4.17Å; M672-A798 HydrophobicContact SD-CB 4.18Å; M672-F801 HydrophobicContact CE-CD2 4.39Å; M672-F801 HydrophobicContact CE-CE2 4.02Å; M672-F801 HydrophobicContact SD-CD2 3.68Å; M672-F801 HydrophobicContact SD-CE2 3.63Å
673	L	98.4	Very high	96.5	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-61.9	-27.7	179.8	-175.5	60.6	0	0	0	113.1	I475 L481 L505 L508 M669 F671 A798	I475-L673 HydrophobicContact CD1-CB 4.41Å; I475-L673 HydrophobicContact CD1-CD2 3.96Å; L481-L673 HydrophobicContact CB-CD2 3.91Å; L481-L673 HydrophobicContact CB-CG 4.21Å; L481-L673 HydrophobicContact CD2-CD1 3.92Å; L481-L673 HydrophobicContact CD2-CD2 4.42Å; L481-L673 HydrophobicContact CD2-CG 4.15Å; L505-L673 HydrophobicContact CD1-CD1 4.44Å; L505-L673 HydrophobicContact CD2-CD1 4.11Å; L505-L673 HydrophobicContact CD2-CD2 4.42Å; L508-L673 HydrophobicContact CD1-CD1 3.71Å; M669-L673 WeakPolarHBondContact O-CB 3.4Å; M669-L673 PolarHBondContact O-N 2.9Å; F671-L673 PolarHBondContact O-N 2.97Å; L673-A798 HydrophobicContact CB-CB 4.15Å; L673-A798 HydrophobicContact CD1-CB 3.73Å
674	N	98.8	Very high	96.6	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.011	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	12.1	178.8	-75.9	-87.1	0	0	0	113.7	W480 N485 K528 I647 K670 F671 M672 A676	W480-N674 PolarHBondContact O-ND2 2.99Å; N485-N674 VanDerWaalsContact CB-OD1 3.27Å; N485-N674 WeakPolarHBondContact CB-OD1 3.28Å; N485-N674 PolarHBondContact ND2-OD1 3.24Å; K528-N674 PolarHBondContact NZ-O 2.94Å; I647-N674 HydrophobicContact CG2-CB 3.97Å; K670-N674 PolarHBondContact O-N 3.36Å; K670-N674 PolarHBondContact O-ND2 3.5Å; F671-N674 CarbonylContact O-C 3.6Å; F671-N674 PolarHBondContact O-N 3.45Å; F671-N674 VanDerWaalsContact O-N 3.11Å; M672-N674 PolarHBondContact O-N 2.83Å; N674-A676 PolarHBondContact O-N 3.38Å
675	G	98	Very high	96.6	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.01	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	25.6	175	0	0	0	0	0	114.8	F671 M672 V791	F671-G675 PolarHBondContact O-N 2.91Å; M672-G675 PolarHBondContact O-N 3.45Å; M672-G675 VanDerWaalsContact O-N 3.09Å; G675-V791 WeakPolarHBondContact O-CG1 3.32Å
676	A	98.6	Very high	96.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	P	Polyproline II helix	trans	-84.9	134.8	164.7	0	0	0	0	0	109.4	T650 D651 F671 N674	T650-A676 HydrophobicContact CG2-CB 3.8Å; T650-A676 WeakPolarHBondContact O-CB 3.48Å; D651-A676 WeakPolarHBondContact O-CA 3.28Å; F671-A676 HydrophobicContact CB-CB 3.9Å; F671-A676 HydrophobicContact CD1-CB 3.9Å; F671-A676 HydrophobicContact CG-CB 4.36Å; F671-A676 PolarHBondContact O-N 2.98Å; N674-A676 PolarHBondContact O-N 3.38Å
677	L	98.6	Very high	97	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	149.2	174.3	-57.1	-170.1	0	0	0	109.9	D651 L652 S653 F699 W787 M790 V791 N794	D651-L677 PolarHBondContact O-N 3.39Å; L652-L677 CarbonylContact C-O 3.54Å; L652-L677 WeakPolarHBondContact CA-O 3.41Å; L652-L677 HydrophobicContact CD1-CB 4.36Å; S653-L677 PolarHBondContact N-O 2.81Å; L677-F699 HydrophobicContact CB-CE2 3.97Å; L677-F699 HydrophobicContact CD1-CE2 3.81Å; L677-F699 HydrophobicContact CD1-CZ 4.19Å; L677-W787 HydrophobicContact CB-CH2 4.27Å; L677-W787 HydrophobicContact CD1-CD2 3.86Å; L677-W787 HydrophobicContact CD1-CE3 3.59Å; L677-W787 HydrophobicContact CD1-CH2 3.64Å; L677-W787 HydrophobicContact CD1-CZ2 3.87Å; L677-W787 HydrophobicContact CD1-CZ3 3.51Å; L677-W787 HydrophobicContact CG-CH2 4.05Å; L677-W787 HydrophobicContact CG-CZ2 4Å; L677-W787 HydrophobicContact CG-CZ3 4.41Å; L677-M790 HydrophobicContact CD1-CB 3.82Å; L677-M790 HydrophobicContact CD1-CE 3.82Å; L677-M790 HydrophobicContact CD1-SD 4.12Å; L677-M790 HydrophobicContact CD2-CB 3.73Å; L677-M790 HydrophobicContact CG-CB 4.47Å; L677-V791 HydrophobicContact CD2-CG2 4.09Å; L677-V791 HydrophobicContact CG-CG2 4.3Å; L677-N794 VanDerWaalsContact CD2-ND2 3.26Å; L677-N794 WeakPolarHBondContact CD2-ND2 3.41Å
678	T	98.6	Very high	97	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.3	-178.9	-61.3	0	0	0	0	110.5	Q655 F690 F699	Q655-T678 HydrophobicContact CB-CG2 3.76Å; Q655-T678 HydrophobicContact CG-CG2 3.64Å; T678-F690 HydrophobicContact CG2-CE1 3.88Å; T678-F690 HydrophobicContact CG2-CZ 4.08Å; T678-F699 PolarHBondContact O-N 3.4Å
679	I	98.7	Very high	97	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.8	157.7	-178	168.9	0	0	0	107.8	L652 S653 E654 Q655 F699 F701 Y770 A773 Q774 V777	L652-I679 HydrophobicContact CD1-CB 4.1Å; L652-I679 HydrophobicContact CD1-CG2 4.01Å; L652-I679 HydrophobicContact CD2-CB 4.38Å; L652-I679 HydrophobicContact CD2-CG2 3.69Å; L652-I679 HydrophobicContact CG-CB 4.42Å; L652-I679 HydrophobicContact CG-CG2 3.78Å; S653-I679 PolarHBondContact O-N 3.3Å; E654-I679 VanDerWaalsContact CD-CG2 3.46Å; E654-I679 HydrophobicContact CG-CG2 4.17Å; E654-I679 VanDerWaalsContact OE2-CG2 3.27Å; E654-I679 WeakPolarHBondContact OE2-CG2 3.49Å; Q655-I679 PolarHBondContact N-O 2.94Å; I679-F699 CarbonylContact C-O 3.45Å; I679-F699 VanDerWaalsContact CA-O 3.3Å; I679-F699 WeakPolarHBondContact CA-O 3.19Å; I679-F699 HydrophobicContact CB-CB 4.05Å; I679-F699 HydrophobicContact CG1-CB 4.08Å; I679-F701 HydrophobicContact CD1-CD1 4.37Å; I679-F701 HydrophobicContact CD1-CE1 4.43Å; I679-F701 HydrophobicContact CG1-CD1 3.81Å; I679-F701 HydrophobicContact CG1-CE1 3.84Å; I679-Y770 HydrophobicContact CD1-CD2 3.96Å; I679-Y770 HydrophobicContact CD1-CE2 3.73Å; I679-Y770 HydrophobicContact CG1-CE2 4.42Å; I679-A773 HydrophobicContact CD1-CB 3.87Å; I679-A773 HydrophobicContact CG1-CB 4.37Å; I679-Q774 HydrophobicContact CD1-CG 3.9Å; I679-V777 HydrophobicContact CD1-CG2 4.27Å
680	G	98.1	Very high	96.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	166	-170.5	0	0	0	0	0	116	Q655 F699 V700 F701	Q655-G680 WeakPolarHBondContact O-CA 3.34Å; G680-F699 PolarHBondContact N-O 3.22Å; G680-V700 WeakPolarHBondContact O-CA 3.47Å; G680-F701 PolarHBondContact O-N 3.33Å; G680-F701 VanDerWaalsContact O-N 3.12Å
681	T	97.4	Very high	96.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.			trans	-87.1	159.7	170.9	45.2	0	0	0	0	111.5	Q655 P657 V659 D683 N686 F701	Q655-T681 PolarHBondContact O-N 3.16Å; P657-T681 WeakPolarHBondContact O-CG2 3.24Å; P657-T681 PolarHBondContact O-OG1 3.4Å; V659-T681 HydrophobicContact CG2-CG2 4.11Å; T681-D683 PolarHBondContact O-N 2.67Å; T681-N686 VanDerWaalsContact O-CB 3.27Å; T681-N686 WeakPolarHBondContact O-CB 3.18Å; T681-N686 PolarHBondContact O-ND2 2.96Å; T681-F701 WeakPolarHBondContact CA-O 3.39Å; T681-F701 HydrophobicContact CG2-CE2 4.4Å; T681-F701 HydrophobicContact CG2-CZ 4.32Å; T681-F701 WeakPolarHBondContact CG2-O 3.29Å
682	M	95.4	Very high	96.7	Very high	62 Å²	62	13.1 Å²	13.1	31%	0.305	6%	0.063	S	C	.	.	S	Bend	trans	-74.2	63.7	171	-65.4	-67.4	-64.3	0	0	110.9	I687 F690 V700	M682-I687 HydrophobicContact CB-CG1 4.32Å; M682-I687 HydrophobicContact CE-CB 4.46Å; M682-I687 HydrophobicContact CE-CG1 4.15Å; M682-I687 HydrophobicContact CE-CG2 4.22Å; M682-F690 HydrophobicContact SD-CD2 3.57Å; M682-F690 VanDerWaalsContact SD-CD2 3.57Å; M682-F690 HydrophobicContact SD-CE2 4.14Å; M682-V700 HydrophobicContact CG-CG1 3.79Å; M682-V700 HydrophobicContact SD-CG1 3.92Å
683	D	93.5	Very high	96.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.064	C	C	.	.			trans	-131.7	148.5	-178.6	-163	35	0	0	0	112	P657 V659 G660 T661 E662 T681 S685 N686	P657-D683 HydrophobicContact CG-CB 3.97Å; P657-D683 WeakPolarHBondContact CG-OD2 3.3Å; V659-D683 HydrophobicContact CG2-CB 4.28Å; G660-D683 WeakPolarHBondContact CA-OD1 3.29Å; G660-D683 PolarHBondContact N-OD1 3.49Å; T661-D683 PolarHBondContact N-OD2 3.37Å; E662-D683 WeakPolarHBondContact CB-OD2 3.31Å; E662-D683 PolarHBondContact N-OD2 3Å; T681-D683 PolarHBondContact O-N 2.67Å; D683-S685 PolarHBondContact O-N 3.49Å; D683-N686 VanDerWaalsContact O-CB 3.26Å; D683-N686 WeakPolarHBondContact O-CB 3.42Å; D683-N686 PolarHBondContact O-N 3.23Å; D683-N686 VanDerWaalsContact O-N 3.1Å
684	G	92.2	Very high	96.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-134.9	179.7	0	0	0	0	0	113.7	E662 N686 I687	E662-G684 WeakPolarHBondContact O-CA 3.27Å; E662-G684 PolarHBondContact O-N 2.8Å; G684-N686 PolarHBondContact O-N 2.84Å; G684-I687 PolarHBondContact O-N 3.13Å
685	S	93.6	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-75.6	-5.7	-179.2	-64.6	0	0	0	0	113.8	S664 M669 D683 I687 E688 I689	S664-S685 WeakPolarHBondContact CA-OG 3.25Å; S664-S685 WeakPolarHBondContact CB-OG 3.28Å; S664-S685 VanDerWaalsContact O-CB 3.29Å; S664-S685 WeakPolarHBondContact O-CB 3.3Å; S664-S685 PolarHBondContact O-N 3.13Å; S664-S685 PolarHBondContact O-OG 3.16Å; S664-S685 PolarHBondContact OG-OG 2.86Å; M669-S685 WeakPolarHBondContact CE-OG 3.44Å; D683-S685 PolarHBondContact O-N 3.49Å; S685-I687 PolarHBondContact O-N 2.98Å; S685-E688 PolarHBondContact O-N 3.22Å; S685-I689 WeakPolarHBondContact O-CG1 3.34Å; S685-I689 PolarHBondContact O-N 2.88Å
686	N	95.9	Very high	95.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-36.2	171.1	-68.3	-9.7	0	0	0	111	Q655 N668 T681 D683 G684 E688 I689 F690	Q655-N686 WeakPolarHBondContact CB-OD1 3.36Å; Q655-N686 PolarHBondContact O-ND2 2.86Å; N668-N686 PolarHBondContact ND2-OD1 3.29Å; T681-N686 VanDerWaalsContact O-CB 3.27Å; T681-N686 WeakPolarHBondContact O-CB 3.18Å; T681-N686 PolarHBondContact O-ND2 2.96Å; D683-N686 VanDerWaalsContact O-CB 3.26Å; D683-N686 WeakPolarHBondContact O-CB 3.42Å; D683-N686 PolarHBondContact O-N 3.23Å; D683-N686 VanDerWaalsContact O-N 3.1Å; G684-N686 PolarHBondContact O-N 2.84Å; N686-E688 VanDerWaalsContact C-N 3.32Å; N686-E688 PolarHBondContact O-N 3.06Å; N686-I689 PolarHBondContact O-N 3.14Å; N686-F690 HydrophobicContact CB-CD2 4.29Å; N686-F690 HydrophobicContact CB-CE2 3.76Å; N686-F690 HydrophobicContact CB-CZ 3.97Å; N686-F690 WeakPolarHBondContact O-CB 3.34Å; N686-F690 WeakPolarHBondContact O-CD2 3.24Å; N686-F690 WeakPolarHBondContact O-CG 3.31Å; N686-F690 PolarHBondContact O-N 3.45Å
687	I	95.4	Very high	95.7	Very high	27 Å²	27	25.1 Å²	25.1	14%	0.138	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-50.4	176.7	-61.9	168.3	0	0	0	109.8	F447 M682 G684 S685 F690 Q691	F447-I687 HydrophobicContact CB-CD1 3.66Å; F447-I687 HydrophobicContact CD1-CD1 4.38Å; F447-I687 HydrophobicContact CD2-CD1 3.51Å; F447-I687 HydrophobicContact CE2-CD1 4.24Å; F447-I687 HydrophobicContact CG-CD1 3.59Å; M682-I687 HydrophobicContact CB-CG1 4.32Å; M682-I687 HydrophobicContact CE-CB 4.46Å; M682-I687 HydrophobicContact CE-CG1 4.15Å; M682-I687 HydrophobicContact CE-CG2 4.22Å; G684-I687 PolarHBondContact O-N 3.13Å; S685-I687 PolarHBondContact O-N 2.98Å; I687-F690 PolarHBondContact O-N 3.01Å; I687-Q691 VanDerWaalsContact O-CG 3.27Å; I687-Q691 WeakPolarHBondContact O-CG 3.49Å; I687-Q691 PolarHBondContact O-N 3.43Å; I687-Q691 VanDerWaalsContact O-N 3.1Å
688	E	96.4	Very high	95.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-67.7	-39	179.3	-65.7	178.5	77.8	0	0	111.5	S445 I446 T472 S685 N686 Q691 E692 K800 F801	S445-E688 WeakPolarHBondContact CB-OE2 3.38Å; I446-E688 HydrophobicContact CD1-CG 4.36Å; I446-E688 PolarHBondContact N-OE2 3.42Å; T472-E688 WeakPolarHBondContact CB-OE1 3.42Å; T472-E688 WeakPolarHBondContact CG2-OE1 3.3Å; T472-E688 VanDerWaalsContact CG2-OE2 3.26Å; T472-E688 WeakPolarHBondContact CG2-OE2 3.49Å; T472-E688 PolarHBondContact OG1-OE1 2.8Å; T472-E688 PolarHBondContact OG1-OE2 2.84Å; S685-E688 PolarHBondContact O-N 3.22Å; N686-E688 VanDerWaalsContact C-N 3.32Å; N686-E688 PolarHBondContact O-N 3.06Å; E688-Q691 PolarHBondContact O-N 2.98Å; E688-E692 WeakPolarHBondContact O-CG 3.47Å; E688-E692 PolarHBondContact O-N 3.21Å; E688-K800 IonicContact OE1-NZ 2.77Å; E688-F801 HydrophobicContact CB-CE1 4.02Å; E688-F801 HydrophobicContact CB-CZ 4.12Å
689	I	96.4	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-46.8	176.2	-72.8	170.3	0	0	0	111.1	N668 M669 M672 S685 N686 Q691 E692 V693 F801	N668-I689 HydrophobicContact CB-CD1 3.59Å; N668-I689 VanDerWaalsContact CG-CD1 3.42Å; M669-I689 HydrophobicContact CG-CD1 4.35Å; M672-I689 HydrophobicContact CE-CG2 4.41Å; M672-I689 HydrophobicContact SD-CB 4.43Å; M672-I689 HydrophobicContact SD-CG1 4Å; M672-I689 HydrophobicContact SD-CG2 3.87Å; S685-I689 WeakPolarHBondContact O-CG1 3.34Å; S685-I689 PolarHBondContact O-N 2.88Å; N686-I689 PolarHBondContact O-N 3.14Å; I689-Q691 VanDerWaalsContact C-N 3.29Å; I689-Q691 PolarHBondContact O-N 3.07Å; I689-E692 PolarHBondContact O-N 2.86Å; I689-V693 VanDerWaalsContact O-CG1 3.29Å; I689-V693 WeakPolarHBondContact O-CG1 3.03Å; I689-V693 PolarHBondContact O-N 3.46Å; I689-F801 HydrophobicContact CB-CE2 4.49Å; I689-F801 HydrophobicContact CB-CZ 4.31Å; I689-F801 HydrophobicContact CG1-CD2 4.38Å; I689-F801 HydrophobicContact CG1-CE1 4.11Å; I689-F801 HydrophobicContact CG1-CE2 3.72Å; I689-F801 HydrophobicContact CG1-CZ 3.57Å
690	F	96.7	Very high	95.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-32.5	-179.4	-59.9	-27.5	0	0	0	112.3	T678 M682 N686 I687 G694 A698 V700	T678-F690 HydrophobicContact CG2-CE1 3.88Å; T678-F690 HydrophobicContact CG2-CZ 4.08Å; M682-F690 HydrophobicContact SD-CD2 3.57Å; M682-F690 VanDerWaalsContact SD-CD2 3.57Å; M682-F690 HydrophobicContact SD-CE2 4.14Å; N686-F690 HydrophobicContact CB-CD2 4.29Å; N686-F690 HydrophobicContact CB-CE2 3.76Å; N686-F690 HydrophobicContact CB-CZ 3.97Å; N686-F690 WeakPolarHBondContact O-CB 3.34Å; N686-F690 WeakPolarHBondContact O-CD2 3.24Å; N686-F690 WeakPolarHBondContact O-CG 3.31Å; N686-F690 PolarHBondContact O-N 3.45Å; I687-F690 PolarHBondContact O-N 3.01Å; F690-G694 CarbonylContact O-C 3.46Å; F690-G694 VanDerWaalsContact O-CA 3.26Å; F690-G694 WeakPolarHBondContact O-CA 3.37Å; F690-G694 PolarHBondContact O-N 2.76Å; F690-A698 HydrophobicContact CD1-CB 3.41Å; F690-A698 VanDerWaalsContact CD1-CB 3.41Å; F690-A698 HydrophobicContact CE1-CB 3.47Å; F690-A698 VanDerWaalsContact CE1-CB 3.47Å; F690-A698 HydrophobicContact CG-CB 4.42Å; F690-A698 HydrophobicContact CZ-CB 4.49Å; F690-V700 HydrophobicContact CD1-CG2 4.48Å; F690-V700 HydrophobicContact CD2-CG2 3.73Å; F690-V700 HydrophobicContact CE1-CG2 4.47Å; F690-V700 HydrophobicContact CE2-CG1 4.35Å; F690-V700 HydrophobicContact CE2-CG2 3.69Å; F690-V700 HydrophobicContact CG-CG2 4.13Å; F690-V700 HydrophobicContact CZ-CG2 4.08Å
691	Q	96	Very high	95.5	Very high	115 Å²	115	27.8 Å²	27.8	54%	0.537	15%	0.152	S	C	.	.	H	α-helix	trans	-65.5	-46.4	171.2	-72.9	169.5	-8.9	0	0	112	I687 E688 I689	I687-Q691 VanDerWaalsContact O-CG 3.27Å; I687-Q691 WeakPolarHBondContact O-CG 3.49Å; I687-Q691 PolarHBondContact O-N 3.43Å; I687-Q691 VanDerWaalsContact O-N 3.1Å; E688-Q691 PolarHBondContact O-N 2.98Å; I689-Q691 VanDerWaalsContact C-N 3.29Å; I689-Q691 PolarHBondContact O-N 3.07Å
692	E	96.2	Very high	95.5	Very high	61 Å²	61	28.8 Å²	28.8	29%	0.285	16%	0.163	S	C	.	.	H	α-helix	trans	-69.2	-39.6	-178.4	-66.3	-57.8	140.8	0	0	112.9	E688 I689 A797 K800 F801	E688-E692 WeakPolarHBondContact O-CG 3.47Å; E688-E692 PolarHBondContact O-N 3.21Å; I689-E692 PolarHBondContact O-N 2.86Å; E692-A797 HydrophobicContact CB-CB 4.28Å; E692-A797 WeakPolarHBondContact O-CB 3.48Å; E692-K800 VanDerWaalsContact CD-CD 3.42Å; E692-K800 HydrophobicContact CG-CB 4.4Å; E692-K800 HydrophobicContact CG-CD 3.76Å; E692-K800 WeakPolarHBondContact OE1-CD 3.43Å; E692-K800 IonicContact OE1-NZ 3.02Å; E692-K800 PolarHBondContact OE1-NZ 3.01Å; E692-F801 HydrophobicContact CB-CE2 4.28Å; E692-F801 HydrophobicContact CG-CE2 3.96Å; E692-F801 HydrophobicContact CG-CZ 3.91Å
693	V	95.4	Very high	95.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-86.9	-22.5	-177	80.3	0	0	0	0	113.3	M672 I689 N697 A698 M793 N794 A797	M672-V693 HydrophobicContact CE-CB 4.25Å; I689-V693 VanDerWaalsContact O-CG1 3.29Å; I689-V693 WeakPolarHBondContact O-CG1 3.03Å; I689-V693 PolarHBondContact O-N 3.46Å; V693-N697 HydrophobicContact CG1-CB 4.29Å; V693-N697 HydrophobicContact CG2-CB 3.69Å; V693-N697 PolarHBondContact O-ND2 2.89Å; V693-A698 HydrophobicContact CG1-CB 4.43Å; V693-M793 HydrophobicContact CG2-CB 4.45Å; V693-M793 HydrophobicContact CG2-CG 3.94Å; V693-N794 HydrophobicContact CG2-CB 4.24Å; V693-A797 HydrophobicContact CB-CB 4.29Å; V693-A797 HydrophobicContact CG2-CB 4.36Å
694	G	94.5	Very high	95.6	Very high	25 Å²	25	30.6 Å²	30.6	26%	0.258	17%	0.173	S	C	.	.			trans	81.3	138.6	-171.1	0	0	0	0	0	112.7	F690 S696 N697	F690-G694 CarbonylContact O-C 3.46Å; F690-G694 VanDerWaalsContact O-CA 3.26Å; F690-G694 WeakPolarHBondContact O-CA 3.37Å; F690-G694 PolarHBondContact O-N 2.76Å; G694-S696 PolarHBondContact O-N 3.37Å; G694-N697 PolarHBondContact O-N 2.94Å
695	H	88.8	Confident	95.6	Very high	114 Å²	114	32.4 Å²	32.4	53%	0.528	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-55.3	-28.2	-173.6	-72.1	-76.7	0	0	0	115	N697 A698	H695-N697 PolarHBondContact O-N 3.32Å; H695-A698 PolarHBondContact O-N 3.47Å
696	S	94	Very high	95.6	Very high	88 Å²	88	38.6 Å²	38.6	62%	0.615	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-69.3	-11.3	177.9	59.3	0	0	0	0	114.3	G694	G694-S696 PolarHBondContact O-N 3.37Å
697	N	97.2	Very high	95.6	Very high	27 Å²	27	43 Å²	43	14%	0.144	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-111.1	14	-175.3	-59.9	-60.5	0	0	0	113.1	V693 G694 H695 M793 N794	V693-N697 HydrophobicContact CG1-CB 4.29Å; V693-N697 HydrophobicContact CG2-CB 3.69Å; V693-N697 PolarHBondContact O-ND2 2.89Å; G694-N697 PolarHBondContact O-N 2.94Å; H695-N697 PolarHBondContact O-N 3.32Å; N697-M793 HydrophobicContact CB-CG 4.43Å; N697-M793 WeakPolarHBondContact ND2-CG 3.46Å; N697-N794 PolarHBondContact O-ND2 2.84Å; N697-N794 VanDerWaalsContact O-ND2 3.07Å
698	A	97.3	Very high	95.5	Very high	9 Å²	9	41.7 Å²	41.7	7%	0.074	23%	0.225	C	C	.	.	S	Bend	trans	-143.9	166.1	176.3	0	0	0	0	0	110.4	F690 V693 H695	F690-A698 HydrophobicContact CD1-CB 3.41Å; F690-A698 VanDerWaalsContact CD1-CB 3.41Å; F690-A698 HydrophobicContact CE1-CB 3.47Å; F690-A698 VanDerWaalsContact CE1-CB 3.47Å; F690-A698 HydrophobicContact CG-CB 4.42Å; F690-A698 HydrophobicContact CZ-CB 4.49Å; V693-A698 HydrophobicContact CG1-CB 4.43Å; H695-A698 PolarHBondContact O-N 3.47Å
699	F	98.3	Very high	95.3	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	94.5	179.6	-52.6	-81.8	0	0	0	109.5	L652 L677 T678 I679 G680 E776 V777 A780 W787 M790	L652-F699 HydrophobicContact CD1-CD2 3.92Å; L652-F699 HydrophobicContact CD1-CE2 4.06Å; L677-F699 HydrophobicContact CB-CE2 3.97Å; L677-F699 HydrophobicContact CD1-CE2 3.81Å; L677-F699 HydrophobicContact CD1-CZ 4.19Å; T678-F699 PolarHBondContact O-N 3.4Å; I679-F699 CarbonylContact C-O 3.45Å; I679-F699 VanDerWaalsContact CA-O 3.3Å; I679-F699 WeakPolarHBondContact CA-O 3.19Å; I679-F699 HydrophobicContact CB-CB 4.05Å; I679-F699 HydrophobicContact CG1-CB 4.08Å; G680-F699 PolarHBondContact N-O 3.22Å; F699-E776 HydrophobicContact CD1-CB 4.06Å; F699-E776 HydrophobicContact CE1-CB 4.33Å; F699-V777 HydrophobicContact CB-CG2 4.06Å; F699-V777 HydrophobicContact CD1-CG2 3.76Å; F699-V777 HydrophobicContact CD2-CG2 3.49Å; F699-V777 VanDerWaalsContact CD2-CG2 3.49Å; F699-V777 HydrophobicContact CE1-CB 4.42Å; F699-V777 HydrophobicContact CE1-CG2 4.01Å; F699-V777 HydrophobicContact CE2-CB 4.46Å; F699-V777 HydrophobicContact CE2-CG2 3.75Å; F699-V777 HydrophobicContact CG-CG2 3.48Å; F699-V777 VanDerWaalsContact CG-CG2 3.48Å; F699-V777 HydrophobicContact CZ-CB 4.36Å; F699-V777 HydrophobicContact CZ-CG2 4Å; F699-A780 HydrophobicContact CE1-CB 3.91Å; F699-A780 HydrophobicContact CZ-CB 3.72Å; F699-W787 HydrophobicContact CE2-CZ3 4.32Å; F699-W787 HydrophobicContact CZ-CZ3 4.25Å; F699-M790 HydrophobicContact CE1-CE 4.18Å; F699-M790 HydrophobicContact CE2-CE 4.07Å; F699-M790 HydrophobicContact CZ-CE 3.67Å
700	V	97.4	Very high	95.3	Very high	40 Å²	40	52.9 Å²	52.9	24%	0.242	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.4	-177.2	-172.2	0	0	0	0	110.2	G680 M682 F690 R772	G680-V700 WeakPolarHBondContact O-CA 3.47Å; M682-V700 HydrophobicContact CG-CG1 3.79Å; M682-V700 HydrophobicContact SD-CG1 3.92Å; F690-V700 HydrophobicContact CD1-CG2 4.48Å; F690-V700 HydrophobicContact CD2-CG2 3.73Å; F690-V700 HydrophobicContact CE1-CG2 4.47Å; F690-V700 HydrophobicContact CE2-CG1 4.35Å; F690-V700 HydrophobicContact CE2-CG2 3.69Å; F690-V700 HydrophobicContact CG-CG2 4.13Å; F690-V700 HydrophobicContact CZ-CG2 4.08Å; V700-R772 PolarHBondContact O-NH2 2.61Å
701	F	98.1	Very high	95.2	Very high	4 Å²	4	54 Å²	54	2%	0.018	28%	0.281	C	S	.	.			trans	-149.9	173.5	174.8	81.1	-83.1	0	0	0	111.8	L568 I656 I679 G680 T681 D766 D769 Y770 A773	L568-F701 HydrophobicContact CD1-CE2 4.26Å; L568-F701 HydrophobicContact CD1-CZ 4.31Å; I656-F701 HydrophobicContact CB-CE1 4.27Å; I656-F701 HydrophobicContact CB-CZ 3.88Å; I656-F701 HydrophobicContact CG2-CE1 3.43Å; I656-F701 VanDerWaalsContact CG2-CE1 3.43Å; I656-F701 HydrophobicContact CG2-CZ 3.49Å; I656-F701 VanDerWaalsContact CG2-CZ 3.49Å; I679-F701 HydrophobicContact CD1-CD1 4.37Å; I679-F701 HydrophobicContact CD1-CE1 4.43Å; I679-F701 HydrophobicContact CG1-CD1 3.81Å; I679-F701 HydrophobicContact CG1-CE1 3.84Å; G680-F701 PolarHBondContact O-N 3.33Å; G680-F701 VanDerWaalsContact O-N 3.12Å; T681-F701 WeakPolarHBondContact CA-O 3.39Å; T681-F701 HydrophobicContact CG2-CE2 4.4Å; T681-F701 HydrophobicContact CG2-CZ 4.32Å; T681-F701 WeakPolarHBondContact CG2-O 3.29Å; F701-D766 HydrophobicContact CE2-CB 4.44Å; F701-D769 VanDerWaalsContact CA-OD2 3.23Å; F701-D769 WeakPolarHBondContact CA-OD2 3.32Å; F701-D769 VanDerWaalsContact CB-OD2 3.32Å; F701-D769 WeakPolarHBondContact CB-OD2 3.48Å; F701-Y770 HydrophobicContact CD1-CD2 4.12Å; F701-Y770 HydrophobicContact CD2-CD2 4.16Å; F701-Y770 HydrophobicContact CD2-CG 4.37Å; F701-Y770 AromaticContact CE1-CD2 3.59Å; F701-Y770 HydrophobicContact CE1-CD2 3.59Å; F701-Y770 HydrophobicContact CE1-CE2 4.18Å; F701-Y770 VanDerWaalsContact CE2-CB 3.5Å; F701-Y770 AromaticContact CE2-CD2 3.67Å; F701-Y770 HydrophobicContact CE2-CD2 3.67Å; F701-Y770 AromaticContact CE2-CG 3.93Å; F701-Y770 HydrophobicContact CE2-CG 3.93Å; F701-Y770 HydrophobicContact CG-CD2 4.38Å; F701-Y770 AromaticContact CZ-CD2 3.34Å; F701-Y770 HydrophobicContact CZ-CD2 3.34Å; F701-Y770 HydrophobicContact CZ-CE2 4.09Å; F701-Y770 HydrophobicContact CZ-CG 4.04Å; F701-A773 HydrophobicContact CB-CB 3.75Å; F701-A773 HydrophobicContact CD1-CB 4.33Å; F701-A773 HydrophobicContact CG-CB 4.28Å
702	G	96.9	Very high	95.1	Very high	22 Å²	22	54 Å²	54	23%	0.227	28%	0.276	C	S	.	.	S	Bend	trans	87.3	177.7	174.9	0	0	0	0	0	112.2	D769	G702-D769 PolarHBondContact N-OD2 2.81Å
703	R	96.4	Very high	95	Very high	41 Å²	41	60.2 Å²	60.2	16%	0.155	30%	0.302	C	S	.	.			trans	-73.2	151.4	-177.6	-76.9	158.6	175.4	70.5	1.4	113	V659 E707 V708 Y721 A765 D766	V659-R703 WeakPolarHBondContact CG2-O 3.31Å; R703-E707 WeakPolarHBondContact CA-OE2 3.36Å; R703-E707 HydrophobicContact CB-CB 3.94Å; R703-E707 HydrophobicContact CG-CB 4.04Å; R703-V708 HydrophobicContact CB-CG2 3.89Å; R703-Y721 VanDerWaalsContact NH2-CZ 3.25Å; R703-Y721 PolarHBondContact NH2-OH 3.1Å; R703-A765 VanDerWaalsContact CZ-CB 3.4Å; R703-A765 PolarHBondContact NH1-O 3.05Å; R703-A765 PolarHBondContact NH2-O 3.45Å; R703-D766 WeakPolarHBondContact CD-OD1 3.42Å; R703-D766 WeakPolarHBondContact CG-OD1 3.44Å; R703-D766 IonicContact CZ-OD1 3.96Å; R703-D766 PolarHBondContact N-OD1 2.82Å; R703-D766 IonicContact NH1-OD1 3.75Å; R703-D766 PolarHBondContact NH1-OD1 3.44Å
704	T	95.1	Very high	95	Very high	59 Å²	59	63.9 Å²	63.9	36%	0.362	32%	0.324	S	S	.	.			trans	-70.2	164	163.8	60.1	0	0	0	0	111.4	E706 E707 V708	T704-E706 WeakPolarHBondContact CB-OE2 3.34Å; T704-E706 PolarHBondContact O-N 2.91Å; T704-E707 WeakPolarHBondContact CB-OE2 3.33Å; T704-E707 PolarHBondContact N-OE2 3.17Å; T704-E707 PolarHBondContact O-N 3.09Å; T704-E707 WeakPolarHBondContact OG1-CB 3.37Å; T704-E707 VanDerWaalsContact OG1-CD 3.26Å; T704-E707 WeakPolarHBondContact OG1-CG 3.31Å; T704-E707 PolarHBondContact OG1-N 3.24Å; T704-E707 PolarHBondContact OG1-OE2 2.92Å; T704-V708 WeakPolarHBondContact O-CG2 3.35Å; T704-V708 PolarHBondContact O-N 3.39Å
705	I	91	Very high	94.9	Very high	39 Å²	39	65.2 Å²	65.2	20%	0.2	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-34.4	177.4	-172.7	61.2	0	0	0	111.3	F447 V659 V708 N709	F447-I705 HydrophobicContact CZ-CG1 4.38Å; V659-I705 HydrophobicContact CG1-CB 3.8Å; V659-I705 HydrophobicContact CG1-CD1 4.13Å; I705-V708 PolarHBondContact O-N 3.44Å; I705-N709 WeakPolarHBondContact O-CB 3.4Å; I705-N709 PolarHBondContact O-N 3.42Å; I705-N709 PolarHBondContact O-ND2 3Å
706	E	93.3	Very high	95.3	Very high	130 Å²	130	61.5 Å²	61.5	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-62.9	-44.3	175.4	-65.5	71	-154.3	0	0	111.2	T704 N709 Y710	T704-E706 WeakPolarHBondContact CB-OE2 3.34Å; T704-E706 PolarHBondContact O-N 2.91Å; E706-N709 PolarHBondContact O-N 3.14Å; E706-Y710 VanDerWaalsContact O-CB 3.28Å; E706-Y710 WeakPolarHBondContact O-CB 3.23Å; E706-Y710 PolarHBondContact O-N 2.91Å
707	E	96.3	Very high	95.4	Very high	94 Å²	94	60.5 Å²	60.5	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-68.4	-40.1	177.3	-72	166.8	135.9	0	0	112.4	R703 T704 Y710 L711	R703-E707 WeakPolarHBondContact CA-OE2 3.36Å; R703-E707 HydrophobicContact CB-CB 3.94Å; R703-E707 HydrophobicContact CG-CB 4.04Å; T704-E707 WeakPolarHBondContact CB-OE2 3.33Å; T704-E707 PolarHBondContact N-OE2 3.17Å; T704-E707 PolarHBondContact O-N 3.09Å; T704-E707 WeakPolarHBondContact OG1-CB 3.37Å; T704-E707 VanDerWaalsContact OG1-CD 3.26Å; T704-E707 WeakPolarHBondContact OG1-CG 3.31Å; T704-E707 PolarHBondContact OG1-N 3.24Å; T704-E707 PolarHBondContact OG1-OE2 2.92Å; E707-Y710 PolarHBondContact O-N 3.45Å; E707-L711 WeakPolarHBondContact O-CG 3.46Å; E707-L711 PolarHBondContact O-N 2.95Å
708	V	94.1	Very high	95.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-48.6	173.3	170.4	0	0	0	0	110.1	V659 R703 T704 I705 Y710 L711 R712 M762	V659-V708 HydrophobicContact CB-CG2 4.29Å; R703-V708 HydrophobicContact CB-CG2 3.89Å; T704-V708 WeakPolarHBondContact O-CG2 3.35Å; T704-V708 PolarHBondContact O-N 3.39Å; I705-V708 PolarHBondContact O-N 3.44Å; V708-Y710 PolarHBondContact O-N 3.43Å; V708-L711 PolarHBondContact O-N 3.23Å; V708-R712 WeakPolarHBondContact O-CG 3.43Å; V708-R712 PolarHBondContact O-N 3.38Å; V708-M762 HydrophobicContact CB-CE 4.42Å; V708-M762 HydrophobicContact CB-SD 4.29Å; V708-M762 HydrophobicContact CG1-CE 3.9Å; V708-M762 HydrophobicContact CG1-SD 4.1Å; V708-M762 HydrophobicContact CG2-SD 3.96Å; V708-M762 WeakPolarHBondContact O-CE 3.43Å
709	N	92	Very high	95.3	Very high	84 Å²	84	62.5 Å²	62.5	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-40.9	178.8	-73.3	-25.2	0	0	0	112	I705 E706 R712 K713	I705-N709 WeakPolarHBondContact O-CB 3.4Å; I705-N709 PolarHBondContact O-N 3.42Å; I705-N709 PolarHBondContact O-ND2 3Å; E706-N709 PolarHBondContact O-N 3.14Å; N709-R712 PolarHBondContact O-N 2.91Å; N709-K713 VanDerWaalsContact O-CB 3.28Å; N709-K713 WeakPolarHBondContact O-CB 3.46Å; N709-K713 PolarHBondContact O-N 2.87Å
710	Y	96	Very high	95.2	Very high	152 Å²	152	71.1 Å²	71.1	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-60.5	-47.4	175.7	177.5	-98.4	0	0	0	111.8	E706 E707 V708 K713 T714	E706-Y710 VanDerWaalsContact O-CB 3.28Å; E706-Y710 WeakPolarHBondContact O-CB 3.23Å; E706-Y710 PolarHBondContact O-N 2.91Å; E707-Y710 PolarHBondContact O-N 3.45Å; V708-Y710 PolarHBondContact O-N 3.43Å; Y710-K713 PolarHBondContact O-N 3.47Å; Y710-T714 HydrophobicContact CD2-CG2 4.12Å; Y710-T714 HydrophobicContact CE1-CG2 4.18Å; Y710-T714 HydrophobicContact CE2-CG2 3.74Å; Y710-T714 HydrophobicContact CG-CG2 4.5Å; Y710-T714 WeakPolarHBondContact O-CB 3.37Å; Y710-T714 WeakPolarHBondContact O-CG2 3.47Å; Y710-T714 PolarHBondContact O-N 2.93Å; Y710-T714 PolarHBondContact O-OG1 2.93Å
711	L	95.2	Very high	95.2	Very high	25 Å²	25	71.8 Å²	71.8	13%	0.131	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-41.6	177.8	-74	179.7	0	0	0	112.3	E707 V708 T714 G715 Y716 M762	E707-L711 WeakPolarHBondContact O-CG 3.46Å; E707-L711 PolarHBondContact O-N 2.95Å; V708-L711 PolarHBondContact O-N 3.23Å; L711-T714 PolarHBondContact O-N 2.85Å; L711-G715 CarbonylContact O-C 3.58Å; L711-G715 PolarHBondContact O-N 3.06Å; L711-G715 VanDerWaalsContact O-N 3.15Å; L711-Y716 HydrophobicContact CB-CD2 4.48Å; L711-Y716 HydrophobicContact CD1-CD2 4.27Å; L711-Y716 PolarHBondContact O-N 3.11Å; L711-M762 HydrophobicContact CB-CE 3.77Å; L711-M762 HydrophobicContact CD1-CE 4.39Å; L711-M762 HydrophobicContact CD1-SD 4.16Å
712	R	92.6	Very high	95.2	Very high	115 Å²	115	71.9 Å²	71.9	43%	0.434	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-46.4	174.9	-73.4	178.3	175.6	-179.7	-0.5	111.3	V708 N709 T714 G715 M762	V708-R712 WeakPolarHBondContact O-CG 3.43Å; V708-R712 PolarHBondContact O-N 3.38Å; N709-R712 PolarHBondContact O-N 2.91Å; R712-T714 PolarHBondContact O-N 2.84Å; R712-G715 PolarHBondContact O-N 3.48Å; R712-M762 HydrophobicContact CG-CE 3.73Å
713	K	94.3	Very high	95.1	Very high	191 Å²	191	73.7 Å²	73.7	83%	0.83	36%	0.356	S	S	*	.	H	α-helix	trans	-65.8	-36	-179.4	-172.4	179.9	-180	-179.5	0	113.2	N709 Y710	N709-K713 VanDerWaalsContact O-CB 3.28Å; N709-K713 WeakPolarHBondContact O-CB 3.46Å; N709-K713 PolarHBondContact O-N 2.87Å; Y710-K713 PolarHBondContact O-N 3.47Å
714	T	95.4	Very high	95.2	Very high	79 Å²	79	76.2 Å²	76.2	49%	0.485	38%	0.38	S	S	.	.	H	α-helix	trans	-90.1	-2.5	-176.6	54.5	0	0	0	0	114.3	Y710 L711 R712	Y710-T714 HydrophobicContact CD2-CG2 4.12Å; Y710-T714 HydrophobicContact CE1-CG2 4.18Å; Y710-T714 HydrophobicContact CE2-CG2 3.74Å; Y710-T714 HydrophobicContact CG-CG2 4.5Å; Y710-T714 WeakPolarHBondContact O-CB 3.37Å; Y710-T714 WeakPolarHBondContact O-CG2 3.47Å; Y710-T714 PolarHBondContact O-N 2.93Å; Y710-T714 PolarHBondContact O-OG1 2.93Å; L711-T714 PolarHBondContact O-N 2.85Å; R712-T714 PolarHBondContact O-N 2.84Å
715	G	93.8	Very high	95.3	Very high	52 Å²	52	74.7 Å²	74.7	54%	0.536	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	77.7	-178.5	0	0	0	0	0	112.3	L711 R712 N717	L711-G715 CarbonylContact O-C 3.58Å; L711-G715 PolarHBondContact O-N 3.06Å; L711-G715 VanDerWaalsContact O-N 3.15Å; R712-G715 PolarHBondContact O-N 3.48Å; G715-N717 PolarHBondContact O-N 2.85Å
716	Y	95.7	Very high	95.7	Very high	36 Å²	36	77.5 Å²	77.5	14%	0.141	39%	0.39	C	S	.	.			trans	-53.8	125.9	174.5	173.3	-118.6	0	0	0	111.2	L711 P718 Y721 D759 M762 A765	L711-Y716 HydrophobicContact CB-CD2 4.48Å; L711-Y716 HydrophobicContact CD1-CD2 4.27Å; L711-Y716 PolarHBondContact O-N 3.11Å; Y716-P718 HydrophobicContact CD1-CG 4.24Å; Y716-P718 HydrophobicContact CE1-CB 4.34Å; Y716-P718 HydrophobicContact CE1-CG 3.65Å; Y716-Y721 AromaticContact CD2-CE2 3.92Å; Y716-Y721 HydrophobicContact CD2-CE2 3.92Å; Y716-Y721 AromaticContact CE2-CD2 3.73Å; Y716-Y721 HydrophobicContact CE2-CD2 3.73Å; Y716-Y721 AromaticContact CE2-CE2 3.38Å; Y716-Y721 HydrophobicContact CE2-CE2 3.38Å; Y716-D759 HydrophobicContact CE1-CB 3.86Å; Y716-D759 VanDerWaalsContact CE1-O 3.3Å; Y716-D759 WeakPolarHBondContact CE1-O 3.3Å; Y716-D759 PolarHBondContact OH-OD2 3.4Å; Y716-M762 HydrophobicContact CD1-CG 4.48Å; Y716-M762 HydrophobicContact CE1-CG 4.21Å; Y716-M762 HydrophobicContact CE2-CG 4.47Å; Y716-A765 HydrophobicContact CE2-CB 3.67Å; Y716-A765 PolarHBondContact OH-N 2.95Å
717	N	96.2	Very high	95.9	Very high	68 Å²	68	74.6 Å²	74.6	36%	0.364	38%	0.377	S	S	.	.			trans	-121.4	106.9	176.1	-178.4	-10.1	0	0	0	109.9	G715 M719 R720	G715-N717 PolarHBondContact O-N 2.85Å; N717-M719 VanDerWaalsContact C-N 3.25Å; N717-M719 PolarHBondContact O-N 3.46Å; N717-M719 WeakPolarHBondContact OD1-CB 3.49Å; N717-M719 PolarHBondContact OD1-N 2.92Å; N717-R720 HydrophobicContact CB-CG 4.33Å; N717-R720 PolarHBondContact O-N 3.25Å
718	P	96.9	Very high	96	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-33.9	-178.5	-20.2	30.8	0	0	0	113	Y716 R720 Y721 I722 L755 D759 C764	Y716-P718 HydrophobicContact CD1-CG 4.24Å; Y716-P718 HydrophobicContact CE1-CB 4.34Å; Y716-P718 HydrophobicContact CE1-CG 3.65Å; P718-R720 PolarHBondContact O-N 2.84Å; P718-R720 VanDerWaalsContact O-N 3.12Å; P718-Y721 PolarHBondContact O-N 2.71Å; P718-I722 HydrophobicContact CB-CD1 4.29Å; P718-I722 WeakPolarHBondContact O-CG1 3.42Å; P718-I722 PolarHBondContact O-N 3.06Å; P718-I722 VanDerWaalsContact O-N 3.11Å; P718-L755 VanDerWaalsContact CB-O 3.22Å; P718-L755 WeakPolarHBondContact CB-O 3.48Å; P718-D759 HydrophobicContact CB-CB 4.16Å; P718-D759 HydrophobicContact CG-CB 3.76Å; P718-C764 HydrophobicContact CB-CB 4.36Å
719	M	96.5	Very high	96.2	Very high	77 Å²	77	75 Å²	75	38%	0.379	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-25.3	-177.6	-74	-60.5	-61.4	0	0	113.5	N717 I722 S723 V756	N717-M719 VanDerWaalsContact C-N 3.25Å; N717-M719 PolarHBondContact O-N 3.46Å; N717-M719 WeakPolarHBondContact OD1-CB 3.49Å; N717-M719 PolarHBondContact OD1-N 2.92Å; M719-I722 HydrophobicContact SD-CD1 4.03Å; M719-S723 WeakPolarHBondContact O-CB 3.25Å; M719-S723 PolarHBondContact O-N 2.97Å; M719-S723 PolarHBondContact O-OG 3.49Å; M719-V756 HydrophobicContact SD-CB 3.9Å; M719-V756 HydrophobicContact SD-CG1 4.32Å
720	R	95.9	Very high	96.5	Very high	185 Å²	185	75 Å²	75	70%	0.698	37%	0.374	S	S	*	.	H	α-helix	trans	-63.1	-44.7	174.2	-69.8	-174.8	176.3	176.4	0.7	111.2	N717 P718 S723 S724	N717-R720 HydrophobicContact CB-CG 4.33Å; N717-R720 PolarHBondContact O-N 3.25Å; P718-R720 PolarHBondContact O-N 2.84Å; P718-R720 VanDerWaalsContact O-N 3.12Å; R720-S723 PolarHBondContact O-N 3.23Å; R720-S724 PolarHBondContact O-N 3.16Å; R720-S724 PolarHBondContact O-OG 3.2Å; R720-S724 VanDerWaalsContact O-OG 3.12Å
721	Y	97.2	Very high	96.6	Very high	54 Å²	54	67.8 Å²	67.8	21%	0.212	35%	0.345	C	S	.	.	H	α-helix	trans	-71.5	-42.2	-179.6	-61.9	-80.2	0	0	0	111.9	R703 Y716 P718 S723 S724 N725 A765	R703-Y721 VanDerWaalsContact NH2-CZ 3.25Å; R703-Y721 PolarHBondContact NH2-OH 3.1Å; Y716-Y721 AromaticContact CD2-CE2 3.92Å; Y716-Y721 HydrophobicContact CD2-CE2 3.92Å; Y716-Y721 AromaticContact CE2-CD2 3.73Å; Y716-Y721 HydrophobicContact CE2-CD2 3.73Å; Y716-Y721 AromaticContact CE2-CE2 3.38Å; Y716-Y721 HydrophobicContact CE2-CE2 3.38Å; P718-Y721 PolarHBondContact O-N 2.71Å; Y721-S723 VanDerWaalsContact C-N 3.32Å; Y721-S723 PolarHBondContact O-N 3.29Å; Y721-S724 WeakPolarHBondContact CA-OG 3.14Å; Y721-S724 PolarHBondContact O-N 2.98Å; Y721-S724 PolarHBondContact O-OG 3.12Å; Y721-N725 WeakPolarHBondContact O-CB 3.29Å; Y721-N725 PolarHBondContact O-N 2.89Å; Y721-A765 HydrophobicContact CD1-CB 4.44Å; Y721-A765 HydrophobicContact CD2-CB 4.27Å; Y721-A765 HydrophobicContact CE1-CB 4.29Å; Y721-A765 HydrophobicContact CE2-CB 4.11Å; Y721-A765 HydrophobicContact CG-CB 4.42Å
722	I	97.7	Very high	96.7	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-40.3	175.8	-59.8	166.5	0	0	0	110.5	P718 M719 N725 L728 R729 L732 V756 C764	P718-I722 HydrophobicContact CB-CD1 4.29Å; P718-I722 WeakPolarHBondContact O-CG1 3.42Å; P718-I722 PolarHBondContact O-N 3.06Å; P718-I722 VanDerWaalsContact O-N 3.11Å; M719-I722 HydrophobicContact SD-CD1 4.03Å; I722-N725 PolarHBondContact O-N 2.84Å; I722-L728 HydrophobicContact CG1-CD2 4.06Å; I722-L728 HydrophobicContact CG1-CG 4.45Å; I722-R729 HydrophobicContact CG2-CB 4.12Å; I722-R729 HydrophobicContact CG2-CG 4.06Å; I722-R729 PolarHBondContact O-NE 3.18Å; I722-L732 HydrophobicContact CD1-CD1 3.55Å; I722-L732 HydrophobicContact CG1-CD1 3.65Å; I722-L732 HydrophobicContact CG2-CD1 4.09Å; I722-V756 HydrophobicContact CD1-CB 4.19Å; I722-V756 HydrophobicContact CD1-CG1 3.73Å; I722-C764 HydrophobicContact CG1-CB 4.2Å
723	S	96.6	Very high	97	Very high	61 Å²	61	63.1 Å²	63.1	43%	0.427	33%	0.329	S	S	.	.	H	α-helix	trans	-70.9	-32.5	179.5	-59.4	0	0	0	0	112.1	M719 R720 Y721 R729	M719-S723 WeakPolarHBondContact O-CB 3.25Å; M719-S723 PolarHBondContact O-N 2.97Å; M719-S723 PolarHBondContact O-OG 3.49Å; R720-S723 PolarHBondContact O-N 3.23Å; Y721-S723 VanDerWaalsContact C-N 3.32Å; Y721-S723 PolarHBondContact O-N 3.29Å; S723-R729 VanDerWaalsContact C-NH2 3.35Å; S723-R729 VanDerWaalsContact CA-NH2 3.27Å; S723-R729 PolarHBondContact O-NH2 3.21Å
724	S	97.2	Very high	97.2	Very high	93 Å²	93	55.2 Å²	55.2	65%	0.65	30%	0.295	S	S	*	.	H	α-helix	trans	-79.6	-13.8	177.8	58.2	0	0	0	0	114.8	R720 Y721	R720-S724 PolarHBondContact O-N 3.16Å; R720-S724 PolarHBondContact O-OG 3.2Å; R720-S724 VanDerWaalsContact O-OG 3.12Å; Y721-S724 WeakPolarHBondContact CA-OG 3.14Å; Y721-S724 PolarHBondContact O-N 2.98Å; Y721-S724 PolarHBondContact O-OG 3.12Å
725	N	98.1	Very high	97.3	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.15	27%	0.272	C	S	.	.			trans	-124.4	100.6	-174	-170.5	-42.8	0	0	0	111.4	Y721 I722 E727 L728 R729	Y721-N725 WeakPolarHBondContact O-CB 3.29Å; Y721-N725 PolarHBondContact O-N 2.89Å; I722-N725 PolarHBondContact O-N 2.84Å; N725-E727 VanDerWaalsContact C-N 3.31Å; N725-E727 PolarHBondContact O-N 3.39Å; N725-E727 PolarHBondContact OD1-N 2.89Å; N725-E727 VanDerWaalsContact OD1-N 3.14Å; N725-L728 HydrophobicContact CB-CB 3.94Å; N725-L728 PolarHBondContact O-N 2.99Å; N725-L728 PolarHBondContact OD1-N 2.97Å; N725-R729 PolarHBondContact O-N 3.21Å
726	P	98	Very high	97.4	Very high	97 Å²	97	52.5 Å²	52.5	63%	0.63	26%	0.26	S	S	*	.	H	α-helix	trans	-60.4	-34.1	-179.1	-25.9	35.2	0	0	0	114.5	R729 L730	P726-R729 PolarHBondContact O-N 3.35Å; P726-L730 WeakPolarHBondContact O-CB 3.46Å; P726-L730 PolarHBondContact O-N 3.08Å
727	E	98	Very high	97.5	Very high	70 Å²	70	55.4 Å²	55.4	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-68.6	-45.7	178.9	-63	-169.9	109.9	0	0	111.2	T575 R579 N725 R729 L730 C731	T575-E727 HydrophobicContact CG2-CB 4.29Å; R579-E727 IonicContact CZ-OE1 3.74Å; R579-E727 VanDerWaalsContact CZ-OE1 3.27Å; R579-E727 IonicContact CZ-OE2 2.74Å; R579-E727 IonicContact NE-OE1 2.76Å; R579-E727 PolarHBondContact NE-OE1 3.22Å; R579-E727 IonicContact NE-OE2 3.74Å; R579-E727 VanDerWaalsContact NH2-CD 3.28Å; R579-E727 IonicContact NH2-OE1 2.74Å; R579-E727 PolarHBondContact NH2-OE1 3.49Å; R579-E727 IonicContact NH2-OE2 3.67Å; R579-E727 PolarHBondContact NH2-OE2 2.99Å; N725-E727 VanDerWaalsContact C-N 3.31Å; N725-E727 PolarHBondContact O-N 3.39Å; N725-E727 PolarHBondContact OD1-N 2.89Å; N725-E727 VanDerWaalsContact OD1-N 3.14Å; E727-R729 VanDerWaalsContact C-N 3.32Å; E727-R729 PolarHBondContact O-N 2.76Å; E727-L730 PolarHBondContact O-N 3.5Å; E727-C731 PolarHBondContact O-N 2.94Å; E727-C731 PolarHBondContact O-SG 2.77Å
728	L	98.5	Very high	97.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-45.6	174.2	178.7	56.4	0	0	0	111	L571 I722 N725 L730 C731 L732 C764 Y767	L571-L728 HydrophobicContact CD1-CD1 4.22Å; I722-L728 HydrophobicContact CG1-CD2 4.06Å; I722-L728 HydrophobicContact CG1-CG 4.45Å; N725-L728 HydrophobicContact CB-CB 3.94Å; N725-L728 PolarHBondContact O-N 2.99Å; N725-L728 PolarHBondContact OD1-N 2.97Å; L728-L730 VanDerWaalsContact C-N 3.34Å; L728-L730 PolarHBondContact O-N 3.32Å; L728-C731 WeakPolarHBondContact O-CB 3.4Å; L728-C731 PolarHBondContact O-N 3.48Å; L728-L732 HydrophobicContact CD1-CD1 4.08Å; L728-L732 HydrophobicContact CD1-CG 4.09Å; L728-L732 HydrophobicContact CG-CD1 4.13Å; L728-L732 HydrophobicContact CG-CG 4.49Å; L728-L732 WeakPolarHBondContact O-CG 3.33Å; L728-L732 PolarHBondContact O-N 2.78Å; L728-C764 HydrophobicContact CD2-CB 4.09Å; L728-Y767 HydrophobicContact CB-CD1 3.72Å; L728-Y767 HydrophobicContact CB-CE1 3.62Å; L728-Y767 HydrophobicContact CB-CG 4.34Å; L728-Y767 HydrophobicContact CD1-CD1 4.15Å; L728-Y767 HydrophobicContact CD1-CD2 3.92Å; L728-Y767 HydrophobicContact CD1-CE1 4.43Å; L728-Y767 HydrophobicContact CD1-CE2 4.22Å; L728-Y767 HydrophobicContact CD1-CG 3.88Å; L728-Y767 HydrophobicContact CD2-CD1 4.09Å; L728-Y767 HydrophobicContact CD2-CG 4.2Å; L728-Y767 HydrophobicContact CG-CD1 4.2Å; L728-Y767 HydrophobicContact CG-CE1 4.48Å; L728-Y767 HydrophobicContact CG-CG 4.36Å
729	R	98.3	Very high	97.4	Very high	103 Å²	103	56.9 Å²	56.9	39%	0.389	28%	0.28	S	S	.	.	H	α-helix	trans	-58	-48	178.7	-166.9	-173.3	-56.3	-179.1	4.6	111.4	I722 S723 N725 P726 E727 C731 L732 D733	I722-R729 HydrophobicContact CG2-CB 4.12Å; I722-R729 HydrophobicContact CG2-CG 4.06Å; I722-R729 PolarHBondContact O-NE 3.18Å; S723-R729 VanDerWaalsContact C-NH2 3.35Å; S723-R729 VanDerWaalsContact CA-NH2 3.27Å; S723-R729 PolarHBondContact O-NH2 3.21Å; N725-R729 PolarHBondContact O-N 3.21Å; P726-R729 PolarHBondContact O-N 3.35Å; E727-R729 VanDerWaalsContact C-N 3.32Å; E727-R729 PolarHBondContact O-N 2.76Å; R729-C731 VanDerWaalsContact C-N 3.33Å; R729-C731 PolarHBondContact O-N 3.19Å; R729-L732 PolarHBondContact O-N 3.4Å; R729-D733 WeakPolarHBondContact O-CB 3.3Å; R729-D733 VanDerWaalsContact O-CG 3.29Å; R729-D733 PolarHBondContact O-N 3.11Å
730	L	98.3	Very high	97.4	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-43.6	177.3	178.7	61.6	0	0	0	112	N578 P726 E727 L728 L732 D733 Q734	N578-L730 HydrophobicContact CB-CD2 4.19Å; P726-L730 WeakPolarHBondContact O-CB 3.46Å; P726-L730 PolarHBondContact O-N 3.08Å; E727-L730 PolarHBondContact O-N 3.5Å; L728-L730 VanDerWaalsContact C-N 3.34Å; L728-L730 PolarHBondContact O-N 3.32Å; L730-L732 VanDerWaalsContact C-N 3.35Å; L730-L732 PolarHBondContact O-N 2.88Å; L730-D733 PolarHBondContact O-N 2.95Å; L730-Q734 HydrophobicContact CD1-CG 4.32Å; L730-Q734 WeakPolarHBondContact O-CB 3.24Å; L730-Q734 WeakPolarHBondContact O-CG 3.45Å; L730-Q734 PolarHBondContact O-N 3.33Å
731	C	98.4	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-47.4	176.6	-61.1	0	0	0	0	111.4	L571 I574 T575 E727 L728 R729 Q734 I735	L571-C731 HydrophobicContact CD2-CB 3.8Å; I574-C731 HydrophobicContact CB-CB 4.49Å; I574-C731 HydrophobicContact CG2-CB 3.82Å; I574-C731 VanDerWaalsContact CG2-SG 3.51Å; T575-C731 PolarHBondContact OG1-SG 2.64Å; T575-C731 VanDerWaalsContact OG1-SG 3.35Å; E727-C731 PolarHBondContact O-N 2.94Å; E727-C731 PolarHBondContact O-SG 2.77Å; L728-C731 WeakPolarHBondContact O-CB 3.4Å; L728-C731 PolarHBondContact O-N 3.48Å; R729-C731 VanDerWaalsContact C-N 3.33Å; R729-C731 PolarHBondContact O-N 3.19Å; C731-Q734 PolarHBondContact O-N 3.47Å; C731-I735 VanDerWaalsContact O-CG1 3.32Å; C731-I735 WeakPolarHBondContact O-CG1 3.23Å; C731-I735 PolarHBondContact O-N 2.94Å; C731-I735 VanDerWaalsContact O-N 3.14Å
732	L	98.2	Very high	97	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-36.8	-177.9	-65.1	179.4	0	0	0	112.4	L571 I722 L728 R729 L730 I735 R736 Y752 L755	L571-L732 HydrophobicContact CD2-CD2 4.22Å; I722-L732 HydrophobicContact CD1-CD1 3.55Å; I722-L732 HydrophobicContact CG1-CD1 3.65Å; I722-L732 HydrophobicContact CG2-CD1 4.09Å; L728-L732 HydrophobicContact CD1-CD1 4.08Å; L728-L732 HydrophobicContact CD1-CG 4.09Å; L728-L732 HydrophobicContact CG-CD1 4.13Å; L728-L732 HydrophobicContact CG-CG 4.49Å; L728-L732 WeakPolarHBondContact O-CG 3.33Å; L728-L732 PolarHBondContact O-N 2.78Å; R729-L732 PolarHBondContact O-N 3.4Å; L730-L732 VanDerWaalsContact C-N 3.35Å; L730-L732 PolarHBondContact O-N 2.88Å; L732-I735 HydrophobicContact CD2-CD1 4.47Å; L732-I735 PolarHBondContact O-N 2.91Å; L732-R736 WeakPolarHBondContact O-CB 3.43Å; L732-R736 PolarHBondContact O-N 2.8Å; L732-Y752 HydrophobicContact CB-CD2 4.05Å; L732-Y752 HydrophobicContact CB-CE2 3.87Å; L732-Y752 VanDerWaalsContact O-CD2 3.31Å; L732-Y752 WeakPolarHBondContact O-CD2 3.44Å; L732-L755 HydrophobicContact CD2-CD1 3.94Å
733	D	97.8	Very high	96.9	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-44.5	174.4	-72.4	-26.1	0	0	0	110.9	R729 L730 I735 R736 D737	R729-D733 WeakPolarHBondContact O-CB 3.3Å; R729-D733 VanDerWaalsContact O-CG 3.29Å; R729-D733 PolarHBondContact O-N 3.11Å; L730-D733 PolarHBondContact O-N 2.95Å; D733-I735 VanDerWaalsContact C-N 3.3Å; D733-I735 PolarHBondContact O-N 2.94Å; D733-R736 WeakPolarHBondContact O-CB 3.37Å; D733-R736 PolarHBondContact O-N 3.19Å; D733-R736 VanDerWaalsContact O-N 3.14Å; D733-R736 IonicContact OD1-CZ 3.27Å; D733-R736 VanDerWaalsContact OD1-CZ 3.27Å; D733-R736 IonicContact OD1-NH1 2.74Å; D733-R736 PolarHBondContact OD1-NH1 3.49Å; D733-R736 IonicContact OD1-NH2 3.23Å; D733-R736 PolarHBondContact OD1-NH2 3.44Å; D733-D737 WeakPolarHBondContact O-CB 3.37Å; D733-D737 PolarHBondContact O-N 2.87Å
734	Q	97.9	Very high	96.8	Very high	25 Å²	25	56.4 Å²	56.4	12%	0.117	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-38.2	174.5	-75.6	173.4	-34.4	0	0	112.9	N578 L730 C731 Y739 Y740	N578-Q734 PolarHBondContact ND2-OE1 2.86Å; N578-Q734 PolarHBondContact OD1-NE2 2.8Å; N578-Q734 PolarHBondContact OD1-OE1 2.97Å; L730-Q734 HydrophobicContact CD1-CG 4.32Å; L730-Q734 WeakPolarHBondContact O-CB 3.24Å; L730-Q734 WeakPolarHBondContact O-CG 3.45Å; L730-Q734 PolarHBondContact O-N 3.33Å; C731-Q734 PolarHBondContact O-N 3.47Å; Q734-Y739 HydrophobicContact CB-CG 4.33Å; Q734-Y739 HydrophobicContact CG-CG 4.29Å; Q734-Y739 VanDerWaalsContact O-CB 3.23Å; Q734-Y739 WeakPolarHBondContact O-CB 3.33Å; Q734-Y739 PolarHBondContact O-N 3.17Å; Q734-Y739 VanDerWaalsContact O-N 3.12Å; Q734-Y740 HydrophobicContact CB-CE2 3.82Å; Q734-Y740 PolarHBondContact OE1-OH 3.27Å; Q734-Y740 VanDerWaalsContact OE1-OH 3.11Å
735	I	97.7	Very high	96.7	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-44	174.8	-68	167.6	0	0	0	110.7	L571 I574 L612 C731 L732 D733 Y740 F748	L571-I735 HydrophobicContact CD2-CD1 4.07Å; I574-I735 HydrophobicContact CD1-CD1 3.97Å; I574-I735 HydrophobicContact CD1-CG1 4.2Å; L612-I735 HydrophobicContact CD1-CG1 4.17Å; L612-I735 HydrophobicContact CD1-CG2 4.45Å; L612-I735 HydrophobicContact CD2-CD1 3.98Å; L612-I735 HydrophobicContact CD2-CG1 4.44Å; C731-I735 VanDerWaalsContact O-CG1 3.32Å; C731-I735 WeakPolarHBondContact O-CG1 3.23Å; C731-I735 PolarHBondContact O-N 2.94Å; C731-I735 VanDerWaalsContact O-N 3.14Å; L732-I735 HydrophobicContact CD2-CD1 4.47Å; L732-I735 PolarHBondContact O-N 2.91Å; D733-I735 VanDerWaalsContact C-N 3.3Å; D733-I735 PolarHBondContact O-N 2.94Å; I735-Y740 HydrophobicContact CG1-CD2 4.02Å; I735-Y740 HydrophobicContact CG1-CE2 3.91Å; I735-F748 HydrophobicContact CG2-CB 3.6Å; I735-F748 HydrophobicContact CG2-CG 4.31Å
736	R	96.9	Very high	96.6	Very high	72 Å²	72	58.1 Å²	58.1	27%	0.272	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-43.1	179.8	-176.5	-168.7	66.9	-136.3	-11.4	112.7	L732 D733 G738 Y752	L732-R736 WeakPolarHBondContact O-CB 3.43Å; L732-R736 PolarHBondContact O-N 2.8Å; D733-R736 WeakPolarHBondContact O-CB 3.37Å; D733-R736 PolarHBondContact O-N 3.19Å; D733-R736 VanDerWaalsContact O-N 3.14Å; D733-R736 IonicContact OD1-CZ 3.27Å; D733-R736 VanDerWaalsContact OD1-CZ 3.27Å; D733-R736 IonicContact OD1-NH1 2.74Å; D733-R736 PolarHBondContact OD1-NH1 3.49Å; D733-R736 IonicContact OD1-NH2 3.23Å; D733-R736 PolarHBondContact OD1-NH2 3.44Å; R736-G738 PolarHBondContact O-N 2.92Å; R736-Y752 HydrophobicContact CB-CD1 4.16Å; R736-Y752 HydrophobicContact CB-CD2 3.75Å; R736-Y752 HydrophobicContact CB-CE1 4.4Å; R736-Y752 HydrophobicContact CB-CE2 3.98Å; R736-Y752 HydrophobicContact CB-CG 3.83Å; R736-Y752 HydrophobicContact CG-CD1 3.91Å; R736-Y752 HydrophobicContact CG-CD2 4.39Å; R736-Y752 HydrophobicContact CG-CE1 4.03Å; R736-Y752 HydrophobicContact CG-CE2 4.46Å; R736-Y752 HydrophobicContact CG-CG 4.1Å; R736-Y752 PolarHBondContact NH1-OH 2.89Å
737	D	96.3	Very high	96.5	Very high	98 Å²	98	54.8 Å²	54.8	52%	0.524	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	10	-167.3	-62.3	-22.2	0	0	0	112.9	D733	D733-D737 WeakPolarHBondContact O-CB 3.37Å; D733-D737 PolarHBondContact O-N 2.87Å
738	G	95.1	Very high	96.5	Very high	4 Å²	4	51.6 Å²	51.6	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	12.3	174	0	0	0	0	0	115.2	R736 Y740 C741 P742 P745	R736-G738 PolarHBondContact O-N 2.92Å; G738-Y740 PolarHBondContact O-N 3Å; G738-C741 CarbonylContact O-C 3.11Å; G738-C741 PolarHBondContact O-N 2.75Å; G738-P742 VanDerWaalsContact O-N 3.15Å; G738-P745 WeakPolarHBondContact CA-O 3.46Å; G738-P745 PolarHBondContact N-O 3.03Å
739	Y	96.4	Very high	96.4	Very high	94 Å²	94	55.8 Å²	55.8	37%	0.369	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-39.5	-177.1	-174.3	-92	0	0	0	112.6	Y577 I619 Q734	Y577-Y739 HydrophobicContact CE1-CE1 4.01Å; Y577-Y739 PolarHBondContact OH-OH 3.22Å; I619-Y739 HydrophobicContact CG2-CE1 4.14Å; Q734-Y739 HydrophobicContact CB-CG 4.33Å; Q734-Y739 HydrophobicContact CG-CG 4.29Å; Q734-Y739 VanDerWaalsContact O-CB 3.23Å; Q734-Y739 WeakPolarHBondContact O-CB 3.33Å; Q734-Y739 PolarHBondContact O-N 3.17Å; Q734-Y739 VanDerWaalsContact O-N 3.12Å
740	Y	96.2	Very high	96.2	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.035	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.3	-180	-58.8	-66.7	0	0	0	114	I574 L612 S615 V616 I619 Q734 I735 G738	I574-Y740 HydrophobicContact CD1-CE2 3.8Å; I574-Y740 HydrophobicContact CG1-CE1 4.44Å; I574-Y740 HydrophobicContact CG1-CE2 4.25Å; I574-Y740 WeakPolarHBondContact CG1-OH 3.24Å; I574-Y740 WeakPolarHBondContact CG2-OH 3.46Å; L612-Y740 HydrophobicContact CD1-CD2 4.33Å; S615-Y740 WeakPolarHBondContact CB-O 3.5Å; V616-Y740 HydrophobicContact CB-CD1 4.21Å; V616-Y740 HydrophobicContact CB-CE1 4.38Å; V616-Y740 HydrophobicContact CG1-CE1 4.26Å; V616-Y740 HydrophobicContact CG2-CD1 3.68Å; V616-Y740 HydrophobicContact CG2-CD2 4.09Å; V616-Y740 HydrophobicContact CG2-CE1 3.9Å; V616-Y740 HydrophobicContact CG2-CE2 4.29Å; V616-Y740 HydrophobicContact CG2-CG 3.8Å; I619-Y740 HydrophobicContact CB-CD1 4.43Å; I619-Y740 HydrophobicContact CG1-CD1 4.06Å; Q734-Y740 HydrophobicContact CB-CE2 3.82Å; Q734-Y740 PolarHBondContact OE1-OH 3.27Å; Q734-Y740 VanDerWaalsContact OE1-OH 3.11Å; I735-Y740 HydrophobicContact CG1-CD2 4.02Å; I735-Y740 HydrophobicContact CG1-CE2 3.91Å; G738-Y740 PolarHBondContact O-N 3Å
741	C	93.3	Very high	96.1	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.081	27%	0.265	C	S	.	.			trans	-142.9	71.1	175.5	-152.9	0	0	0	0	111.4	G738 N743 E744 L747 F748	G738-C741 CarbonylContact O-C 3.11Å; G738-C741 PolarHBondContact O-N 2.75Å; C741-N743 PolarHBondContact O-N 2.94Å; C741-N743 VanDerWaalsContact O-N 3.11Å; C741-E744 CarbonylContact O-C 3.29Å; C741-E744 PolarHBondContact O-N 2.97Å; C741-L747 HydrophobicContact CB-CD2 4.33Å; C741-F748 HydrophobicContact CB-CE2 3.9Å
742	P	92.8	Very high	96	Very high	93 Å²	93	53.5 Å²	53.5	60%	0.604	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.1	-174	-26.1	34.9	0	0	0	114.7	G738 E744	G738-P742 VanDerWaalsContact O-N 3.15Å; P742-E744 VanDerWaalsContact C-N 3.29Å
743	N	93.8	Very high	96	Very high	156 Å²	156	59.6 Å²	59.6	83%	0.834	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-21.7	178	-63.5	-11.9	0	0	0	112.8	C741	C741-N743 PolarHBondContact O-N 2.94Å; C741-N743 VanDerWaalsContact O-N 3.11Å
744	E	94.7	Very high	95.8	Very high	103 Å²	103	61.1 Å²	61.1	48%	0.481	30%	0.303	S	S	.	.	S	Bend	trans	-138.6	68.9	179.7	-64.6	176.7	-105.6	0	0	108.1	C741 P742 D746 L747	C741-E744 CarbonylContact O-C 3.29Å; C741-E744 PolarHBondContact O-N 2.97Å; P742-E744 VanDerWaalsContact C-N 3.29Å; E744-D746 PolarHBondContact O-N 3.12Å; E744-L747 HydrophobicContact CB-CB 4.05Å; E744-L747 WeakPolarHBondContact O-CB 3.42Å; E744-L747 PolarHBondContact O-N 3.13Å
745	P	95.3	Very high	95.7	Very high	60 Å²	60	60.4 Å²	60.4	39%	0.39	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.1	-168.4	23.9	-34.4	0	0	0	113.3	G738	G738-P745 WeakPolarHBondContact CA-O 3.46Å; G738-P745 PolarHBondContact N-O 3.03Å
746	D	96.5	Very high	95.6	Very high	96 Å²	96	61.2 Å²	61.2	51%	0.513	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.7	-177.5	-72.1	8.7	0	0	0	113.5	E744 F748 K749	E744-D746 PolarHBondContact O-N 3.12Å; D746-F748 VanDerWaalsContact C-N 3.29Å; D746-F748 PolarHBondContact O-N 2.84Å; D746-F748 VanDerWaalsContact O-N 3.16Å; D746-K749 HydrophobicContact CB-CD 3.88Å; D746-K749 HydrophobicContact CB-CG 4.49Å; D746-K749 VanDerWaalsContact CG-CE 3.49Å; D746-K749 WeakPolarHBondContact O-CB 3.15Å; D746-K749 WeakPolarHBondContact O-CG 3.48Å; D746-K749 PolarHBondContact O-N 3.48Å; D746-K749 VanDerWaalsContact O-N 3.07Å; D746-K749 WeakPolarHBondContact OD1-CE 3.39Å; D746-K749 IonicContact OD1-NZ 2.64Å; D746-K749 PolarHBondContact OD1-NZ 2.95Å; D746-K749 IonicContact OD2-NZ 3.02Å; D746-K749 PolarHBondContact OD2-NZ 3.34Å
747	L	96.8	Very high	95.5	Very high	28 Å²	28	61.5 Å²	61.5	15%	0.147	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-40.5	-168.9	176.8	60.7	0	0	0	113.6	W168 M608 K611 C741 E744	W168-L747 HydrophobicContact CH2-CD1 4.1Å; W168-L747 HydrophobicContact CZ2-CD1 3.68Å; W168-L747 HydrophobicContact CZ2-CD2 4.19Å; W168-L747 HydrophobicContact CZ2-CG 4.47Å; M608-L747 HydrophobicContact CE-CD1 4.19Å; M608-L747 HydrophobicContact SD-CD1 4.16Å; M608-L747 HydrophobicContact SD-CG 4.26Å; K611-L747 HydrophobicContact CD-CD2 4.46Å; K611-L747 HydrophobicContact CG-CD2 3.99Å; C741-L747 HydrophobicContact CB-CD2 4.33Å; E744-L747 HydrophobicContact CB-CB 4.05Å; E744-L747 WeakPolarHBondContact O-CB 3.42Å; E744-L747 PolarHBondContact O-N 3.13Å
748	F	97.6	Very high	95.4	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.009	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.8	-176.1	-57.2	-58.3	0	0	0	113.9	M608 K611 L612 I735 C741 D746 D750 L751 Y752	M608-F748 HydrophobicContact CG-CD1 4.18Å; M608-F748 HydrophobicContact SD-CD1 3.7Å; M608-F748 HydrophobicContact SD-CE1 3.91Å; K611-F748 HydrophobicContact CB-CE1 4.4Å; K611-F748 HydrophobicContact CG-CE1 3.91Å; K611-F748 HydrophobicContact CG-CZ 3.99Å; L612-F748 HydrophobicContact CB-CD1 4.16Å; L612-F748 HydrophobicContact CB-CE1 3.7Å; L612-F748 HydrophobicContact CB-CZ 4.04Å; L612-F748 HydrophobicContact CD1-CD1 4.31Å; L612-F748 HydrophobicContact CD1-CD2 3.98Å; L612-F748 HydrophobicContact CD1-CE1 4.2Å; L612-F748 HydrophobicContact CD1-CE2 3.84Å; L612-F748 HydrophobicContact CD1-CG 4.22Å; L612-F748 HydrophobicContact CD1-CZ 3.96Å; I735-F748 HydrophobicContact CG2-CB 3.6Å; I735-F748 HydrophobicContact CG2-CG 4.31Å; C741-F748 HydrophobicContact CB-CE2 3.9Å; D746-F748 VanDerWaalsContact C-N 3.29Å; D746-F748 PolarHBondContact O-N 2.84Å; D746-F748 VanDerWaalsContact O-N 3.16Å; F748-D750 VanDerWaalsContact C-N 3.28Å; F748-D750 PolarHBondContact O-N 2.96Å; F748-L751 PolarHBondContact O-N 3.42Å; F748-Y752 PolarHBondContact O-N 3.31Å
749	K	96.3	Very high	95.4	Very high	89 Å²	89	61.6 Å²	61.6	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-36.4	-179.7	-76.1	-178.9	173.8	174	0	112.7	D746 Y752 K753	D746-K749 HydrophobicContact CB-CD 3.88Å; D746-K749 HydrophobicContact CB-CG 4.49Å; D746-K749 VanDerWaalsContact CG-CE 3.49Å; D746-K749 WeakPolarHBondContact O-CB 3.15Å; D746-K749 WeakPolarHBondContact O-CG 3.48Å; D746-K749 PolarHBondContact O-N 3.48Å; D746-K749 VanDerWaalsContact O-N 3.07Å; D746-K749 WeakPolarHBondContact OD1-CE 3.39Å; D746-K749 IonicContact OD1-NZ 2.64Å; D746-K749 PolarHBondContact OD1-NZ 2.95Å; D746-K749 IonicContact OD2-NZ 3.02Å; D746-K749 PolarHBondContact OD2-NZ 3.34Å; K749-Y752 PolarHBondContact O-N 2.96Å; K749-K753 VanDerWaalsContact O-CB 3.27Å; K749-K753 WeakPolarHBondContact O-CB 3.24Å; K749-K753 PolarHBondContact O-N 3.33Å
750	D	93.8	Very high	95.2	Very high	96 Å²	96	63.1 Å²	63.1	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-67.4	-41.3	177.1	-78.1	-15.2	0	0	0	112.6	F748 K753 K754	F748-D750 VanDerWaalsContact C-N 3.28Å; F748-D750 PolarHBondContact O-N 2.96Å; D750-K753 PolarHBondContact O-N 3.41Å; D750-K754 PolarHBondContact O-N 3.37Å
751	L	96.1	Very high	95.2	Very high	3 Å²	3	64 Å²	64	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-46.9	174.6	171.2	62.1	0	0	0	110.6	L567 M605 M608 I609 L612 F748 K753 K754 L755	L567-L751 HydrophobicContact CD1-CD1 3.95Å; L567-L751 HydrophobicContact CD2-CD2 4.25Å; M605-L751 HydrophobicContact SD-CB 4.11Å; M605-L751 HydrophobicContact SD-CD1 3.51Å; M605-L751 VanDerWaalsContact SD-CD1 3.51Å; M605-L751 HydrophobicContact SD-CG 4.37Å; M608-L751 HydrophobicContact CG-CB 4.19Å; M608-L751 HydrophobicContact CG-CD2 4.46Å; I609-L751 HydrophobicContact CG1-CD1 4.35Å; L612-L751 HydrophobicContact CB-CD2 4.39Å; L612-L751 HydrophobicContact CD2-CD2 3.58Å; F748-L751 PolarHBondContact O-N 3.42Å; L751-K753 PolarHBondContact O-N 3.04Å; L751-K754 PolarHBondContact O-N 3.18Å; L751-L755 HydrophobicContact CD1-CD1 4.18Å; L751-L755 HydrophobicContact CD1-CG 4.4Å; L751-L755 HydrophobicContact CG-CD1 4.28Å; L751-L755 WeakPolarHBondContact O-CG 3.38Å; L751-L755 PolarHBondContact O-N 3.07Å; L751-L755 VanDerWaalsContact O-N 3.1Å
752	Y	97.3	Very high	95.4	Very high	39 Å²	39	63.6 Å²	63.6	15%	0.153	32%	0.321	C	S	.	.	H	α-helix	trans	-56.5	-50.1	174.3	171	-93.4	0	0	0	111.2	L732 R736 F748 K749 K754 L755 V756	L732-Y752 HydrophobicContact CB-CD2 4.05Å; L732-Y752 HydrophobicContact CB-CE2 3.87Å; L732-Y752 VanDerWaalsContact O-CD2 3.31Å; L732-Y752 WeakPolarHBondContact O-CD2 3.44Å; R736-Y752 HydrophobicContact CB-CD1 4.16Å; R736-Y752 HydrophobicContact CB-CD2 3.75Å; R736-Y752 HydrophobicContact CB-CE1 4.4Å; R736-Y752 HydrophobicContact CB-CE2 3.98Å; R736-Y752 HydrophobicContact CB-CG 3.83Å; R736-Y752 HydrophobicContact CG-CD1 3.91Å; R736-Y752 HydrophobicContact CG-CD2 4.39Å; R736-Y752 HydrophobicContact CG-CE1 4.03Å; R736-Y752 HydrophobicContact CG-CE2 4.46Å; R736-Y752 HydrophobicContact CG-CG 4.1Å; R736-Y752 PolarHBondContact NH1-OH 2.89Å; F748-Y752 PolarHBondContact O-N 3.31Å; K749-Y752 PolarHBondContact O-N 2.96Å; Y752-K754 VanDerWaalsContact C-N 3.32Å; Y752-K754 PolarHBondContact O-N 2.94Å; Y752-L755 PolarHBondContact O-N 3.27Å; Y752-V756 HydrophobicContact CD1-CG1 4.35Å; Y752-V756 HydrophobicContact CD1-CG2 4.29Å; Y752-V756 HydrophobicContact CD2-CG1 4.04Å; Y752-V756 HydrophobicContact CE1-CG1 3.93Å; Y752-V756 HydrophobicContact CE1-CG2 3.92Å; Y752-V756 HydrophobicContact CE2-CG1 3.62Å; Y752-V756 HydrophobicContact CG-CG1 4.4Å; Y752-V756 PolarHBondContact O-N 2.98Å
753	K	96.7	Very high	95.6	Very high	129 Å²	129	59.3 Å²	59.3	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-54.1	-49.7	179.9	-176.4	179.1	177.9	-177.5	0	110.6	K749 D750 L751 L755 V756 T757	K749-K753 VanDerWaalsContact O-CB 3.27Å; K749-K753 WeakPolarHBondContact O-CB 3.24Å; K749-K753 PolarHBondContact O-N 3.33Å; D750-K753 PolarHBondContact O-N 3.41Å; L751-K753 PolarHBondContact O-N 3.04Å; K753-L755 VanDerWaalsContact C-N 3.33Å; K753-L755 PolarHBondContact O-N 3.13Å; K753-V756 WeakPolarHBondContact O-CG2 3.33Å; K753-V756 PolarHBondContact O-N 3.49Å; K753-T757 HydrophobicContact CG-CG2 4.35Å; K753-T757 WeakPolarHBondContact O-CB 3.31Å; K753-T757 WeakPolarHBondContact O-CG2 3.36Å; K753-T757 PolarHBondContact O-N 3.5Å; K753-T757 PolarHBondContact O-OG1 3.49Å
754	K	94.4	Very high	95.8	Very high	74 Å²	74	52 Å²	52	32%	0.322	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-41.4	177.1	-74.4	-161.7	-175.8	-173.5	0	113.1	M605 D750 L751 Y752 E758 D759	M605-K754 HydrophobicContact CE-CD 3.54Å; M605-K754 HydrophobicContact CE-CG 4.32Å; M605-K754 HydrophobicContact SD-CD 4.44Å; D750-K754 PolarHBondContact O-N 3.37Å; L751-K754 PolarHBondContact O-N 3.18Å; Y752-K754 VanDerWaalsContact C-N 3.32Å; Y752-K754 PolarHBondContact O-N 2.94Å; K754-E758 PolarHBondContact O-N 3Å; K754-D759 PolarHBondContact O-N 2.86Å
755	L	95.8	Very high	96	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-33.8	179.4	-72.4	169.9	0	0	0	113	L567 P718 L732 L751 Y752 K753 D759 V763	L567-L755 HydrophobicContact CD1-CD1 4.3Å; L567-L755 HydrophobicContact CD1-CD2 4.13Å; P718-L755 VanDerWaalsContact CB-O 3.22Å; P718-L755 WeakPolarHBondContact CB-O 3.48Å; L732-L755 HydrophobicContact CD2-CD1 3.94Å; L751-L755 HydrophobicContact CD1-CD1 4.18Å; L751-L755 HydrophobicContact CD1-CG 4.4Å; L751-L755 HydrophobicContact CG-CD1 4.28Å; L751-L755 WeakPolarHBondContact O-CG 3.38Å; L751-L755 PolarHBondContact O-N 3.07Å; L751-L755 VanDerWaalsContact O-N 3.1Å; Y752-L755 PolarHBondContact O-N 3.27Å; K753-L755 VanDerWaalsContact C-N 3.33Å; K753-L755 PolarHBondContact O-N 3.13Å; L755-D759 VanDerWaalsContact O-CB 3.31Å; L755-D759 WeakPolarHBondContact O-CB 3.36Å; L755-V763 HydrophobicContact CD2-CB 4.18Å; L755-V763 HydrophobicContact CD2-CG1 4.45Å; L755-V763 HydrophobicContact CD2-CG2 4.43Å
756	V	96.5	Very high	96.1	Very high	19 Å²	19	44.6 Å²	44.6	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-87.6	-23.4	-179	-54	0	0	0	0	113.5	M719 I722 Y752 K753	M719-V756 HydrophobicContact SD-CB 3.9Å; M719-V756 HydrophobicContact SD-CG1 4.32Å; I722-V756 HydrophobicContact CD1-CB 4.19Å; I722-V756 HydrophobicContact CD1-CG1 3.73Å; Y752-V756 HydrophobicContact CD1-CG1 4.35Å; Y752-V756 HydrophobicContact CD1-CG2 4.29Å; Y752-V756 HydrophobicContact CD2-CG1 4.04Å; Y752-V756 HydrophobicContact CE1-CG1 3.93Å; Y752-V756 HydrophobicContact CE1-CG2 3.92Å; Y752-V756 HydrophobicContact CE2-CG1 3.62Å; Y752-V756 HydrophobicContact CG-CG1 4.4Å; Y752-V756 PolarHBondContact O-N 2.98Å; K753-V756 WeakPolarHBondContact O-CG2 3.33Å; K753-V756 PolarHBondContact O-N 3.49Å
757	T	94.6	Very high	96.2	Very high	78 Å²	78	40 Å²	40	48%	0.479	19%	0.192	S	C	.	.	H	α-helix	trans	-100	-47.5	-179.3	62.6	0	0	0	0	113.9	K753	K753-T757 HydrophobicContact CG-CG2 4.35Å; K753-T757 WeakPolarHBondContact O-CB 3.31Å; K753-T757 WeakPolarHBondContact O-CG2 3.36Å; K753-T757 PolarHBondContact O-N 3.5Å; K753-T757 PolarHBondContact O-OG1 3.49Å
758	E	92.5	Very high	96.3	Very high	95 Å²	95	41.3 Å²	41.3	44%	0.444	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-52.2	-170.1	-67.9	174.8	-138	0	0	112.4	K754 K760	K754-E758 PolarHBondContact O-N 3Å; E758-K760 VanDerWaalsContact C-N 3.26Å; E758-K760 HydrophobicContact CB-CG 4.28Å; E758-K760 PolarHBondContact O-N 3.39Å; E758-K760 VanDerWaalsContact O-N 3.13Å; E758-K760 WeakPolarHBondContact OE2-CE 3.19Å; E758-K760 IonicContact OE2-NZ 2.7Å
759	D	95.7	Very high	96.3	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.043	22%	0.219	C	C	.	.			trans	30.2	61	-172.1	177.9	31.4	0	0	0	112.9	Y716 P718 K754 L755 F761 M762 V763 C764	Y716-D759 HydrophobicContact CE1-CB 3.86Å; Y716-D759 VanDerWaalsContact CE1-O 3.3Å; Y716-D759 WeakPolarHBondContact CE1-O 3.3Å; Y716-D759 PolarHBondContact OH-OD2 3.4Å; P718-D759 HydrophobicContact CB-CB 4.16Å; P718-D759 HydrophobicContact CG-CB 3.76Å; K754-D759 PolarHBondContact O-N 2.86Å; L755-D759 VanDerWaalsContact O-CB 3.31Å; L755-D759 WeakPolarHBondContact O-CB 3.36Å; D759-F761 PolarHBondContact O-N 3.21Å; D759-M762 PolarHBondContact O-N 2.83Å; D759-M762 PolarHBondContact OD1-N 3.38Å; D759-M762 WeakPolarHBondContact OD2-CA 3.37Å; D759-V763 VanDerWaalsContact CG-N 3.3Å; D759-V763 WeakPolarHBondContact OD1-CB 3.34Å; D759-V763 PolarHBondContact OD1-N 2.91Å; D759-V763 PolarHBondContact OD2-N 2.97Å; D759-C764 WeakPolarHBondContact OD2-CB 3.36Å; D759-C764 PolarHBondContact OD2-N 3.42Å
760	K	93.4	Very high	96.4	Very high	126 Å²	126	39.5 Å²	39.5	55%	0.548	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-24.9	-172.5	-62	-172.2	-176.1	-173.7	0	113.8	E758	E758-K760 VanDerWaalsContact C-N 3.26Å; E758-K760 HydrophobicContact CB-CG 4.28Å; E758-K760 PolarHBondContact O-N 3.39Å; E758-K760 VanDerWaalsContact O-N 3.13Å; E758-K760 WeakPolarHBondContact OE2-CE 3.19Å; E758-K760 IonicContact OE2-NZ 2.7Å
761	F	95.6	Very high	96.7	Very high	28 Å²	28	35.8 Å²	35.8	12%	0.123	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	15.8	-174.7	-52.5	-66.8	0	0	0	113.3	E562 R565 C658 D759 V763	E562-F761 HydrophobicContact CB-CD2 3.49Å; E562-F761 VanDerWaalsContact CB-CD2 3.49Å; E562-F761 HydrophobicContact CB-CE2 3.31Å; E562-F761 HydrophobicContact CB-CZ 4.35Å; E562-F761 HydrophobicContact CG-CE2 4.4Å; R565-F761 WeakPolarHBondContact CD-O 3.46Å; R565-F761 HydrophobicContact CG-CB 4.39Å; C658-F761 HydrophobicContact CB-CB 3.99Å; C658-F761 HydrophobicContact CB-CD1 4.36Å; C658-F761 PolarHBondContact SG-O 3.34Å; D759-F761 PolarHBondContact O-N 3.21Å; F761-V763 VanDerWaalsContact C-N 3.27Å; F761-V763 PolarHBondContact O-N 3.4Å
762	M	97	Very high	96.8	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	20%	0.197	C	C	.	.			trans	54.9	38.1	169.5	-59.8	-174.7	-179.3	0	0	113.9	V708 L711 R712 Y716 D759 C764 A765 D766	V708-M762 HydrophobicContact CB-CE 4.42Å; V708-M762 HydrophobicContact CB-SD 4.29Å; V708-M762 HydrophobicContact CG1-CE 3.9Å; V708-M762 HydrophobicContact CG1-SD 4.1Å; V708-M762 HydrophobicContact CG2-SD 3.96Å; V708-M762 WeakPolarHBondContact O-CE 3.43Å; L711-M762 HydrophobicContact CB-CE 3.77Å; L711-M762 HydrophobicContact CD1-CE 4.39Å; L711-M762 HydrophobicContact CD1-SD 4.16Å; R712-M762 HydrophobicContact CG-CE 3.73Å; Y716-M762 HydrophobicContact CD1-CG 4.48Å; Y716-M762 HydrophobicContact CE1-CG 4.21Å; Y716-M762 HydrophobicContact CE2-CG 4.47Å; D759-M762 PolarHBondContact O-N 2.83Å; D759-M762 PolarHBondContact OD1-N 3.38Å; D759-M762 WeakPolarHBondContact OD2-CA 3.37Å; M762-C764 VanDerWaalsContact C-N 3.33Å; M762-A765 HydrophobicContact CB-CB 3.85Å; M762-A765 HydrophobicContact CG-CB 4.48Å; M762-A765 PolarHBondContact O-N 3.19Å; M762-D766 PolarHBondContact O-N 2.88Å; M762-D766 VanDerWaalsContact O-N 3.11Å
763	V	98	Very high	96.8	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-46.4	175	176.1	0	0	0	0	110	R565 L567 L568 L571 L755 D759 F761 A765 Y767	R565-V763 HydrophobicContact CB-CG2 4.46Å; R565-V763 HydrophobicContact CG-CG2 4.02Å; L567-V763 HydrophobicContact CB-CG1 4.34Å; L568-V763 HydrophobicContact CD2-CG1 3.91Å; L568-V763 HydrophobicContact CG-CG1 4.18Å; L571-V763 HydrophobicContact CD1-CG1 3.72Å; L755-V763 HydrophobicContact CD2-CB 4.18Å; L755-V763 HydrophobicContact CD2-CG1 4.45Å; L755-V763 HydrophobicContact CD2-CG2 4.43Å; D759-V763 VanDerWaalsContact CG-N 3.3Å; D759-V763 WeakPolarHBondContact OD1-CB 3.34Å; D759-V763 PolarHBondContact OD1-N 2.91Å; D759-V763 PolarHBondContact OD2-N 2.97Å; F761-V763 VanDerWaalsContact C-N 3.27Å; F761-V763 PolarHBondContact O-N 3.4Å; V763-A765 VanDerWaalsContact C-N 3.35Å; V763-Y767 WeakPolarHBondContact O-CB 3.36Å; V763-Y767 PolarHBondContact O-N 3.47Å; V763-Y767 VanDerWaalsContact O-N 3.17Å
764	C	98.2	Very high	96.9	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.02	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-35.4	-179.3	-59.7	0	0	0	0	111.7	P718 I722 L728 D759 M762	P718-C764 HydrophobicContact CB-CB 4.36Å; I722-C764 HydrophobicContact CG1-CB 4.2Å; L728-C764 HydrophobicContact CD2-CB 4.09Å; D759-C764 WeakPolarHBondContact OD2-CB 3.36Å; D759-C764 PolarHBondContact OD2-N 3.42Å; M762-C764 VanDerWaalsContact C-N 3.33Å
765	A	97.6	Very high	97.1	Very high	6 Å²	6	31.7 Å²	31.7	5%	0.05	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-46.7	-179.5	0	0	0	0	0	111.5	R703 Y716 Y721 M762 V763	R703-A765 VanDerWaalsContact CZ-CB 3.4Å; R703-A765 PolarHBondContact NH1-O 3.05Å; R703-A765 PolarHBondContact NH2-O 3.45Å; Y716-A765 HydrophobicContact CE2-CB 3.67Å; Y716-A765 PolarHBondContact OH-N 2.95Å; Y721-A765 HydrophobicContact CD1-CB 4.44Å; Y721-A765 HydrophobicContact CD2-CB 4.27Å; Y721-A765 HydrophobicContact CE1-CB 4.29Å; Y721-A765 HydrophobicContact CE2-CB 4.11Å; Y721-A765 HydrophobicContact CG-CB 4.42Å; M762-A765 HydrophobicContact CB-CB 3.85Å; M762-A765 HydrophobicContact CG-CB 4.48Å; M762-A765 PolarHBondContact O-N 3.19Å; V763-A765 VanDerWaalsContact C-N 3.35Å
766	D	98.3	Very high	97.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-86.3	-9.6	-174.6	-77.2	-7.8	0	0	0	113.6	R565 F701 R703 M762 A768 D769 Y770	R565-D766 IonicContact CZ-OD2 3.34Å; R565-D766 IonicContact NH1-OD2 2.67Å; R565-D766 PolarHBondContact NH1-OD2 3.39Å; R565-D766 IonicContact NH2-OD2 3.68Å; F701-D766 HydrophobicContact CE2-CB 4.44Å; R703-D766 WeakPolarHBondContact CD-OD1 3.42Å; R703-D766 WeakPolarHBondContact CG-OD1 3.44Å; R703-D766 IonicContact CZ-OD1 3.96Å; R703-D766 PolarHBondContact N-OD1 2.82Å; R703-D766 IonicContact NH1-OD1 3.75Å; R703-D766 PolarHBondContact NH1-OD1 3.44Å; M762-D766 PolarHBondContact O-N 2.88Å; M762-D766 VanDerWaalsContact O-N 3.11Å; D766-A768 PolarHBondContact O-N 2.92Å; D766-D769 PolarHBondContact O-N 2.96Å; D766-Y770 WeakPolarHBondContact O-CB 3.44Å; D766-Y770 PolarHBondContact O-N 3.26Å
767	Y	98.6	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-52.6	-49	-176.5	171.5	-92.3	0	0	0	113.5	L571 T575 L728 V763 D769 Y770 M771	L571-Y767 HydrophobicContact CB-CD2 4.19Å; L571-Y767 HydrophobicContact CB-CE2 3.98Å; L571-Y767 HydrophobicContact CD1-CD2 4.32Å; T575-Y767 WeakPolarHBondContact CG2-OH 3.14Å; T575-Y767 PolarHBondContact OG1-OH 2.9Å; L728-Y767 HydrophobicContact CB-CD1 3.72Å; L728-Y767 HydrophobicContact CB-CE1 3.62Å; L728-Y767 HydrophobicContact CB-CG 4.34Å; L728-Y767 HydrophobicContact CD1-CD1 4.15Å; L728-Y767 HydrophobicContact CD1-CD2 3.92Å; L728-Y767 HydrophobicContact CD1-CE1 4.43Å; L728-Y767 HydrophobicContact CD1-CE2 4.22Å; L728-Y767 HydrophobicContact CD1-CG 3.88Å; L728-Y767 HydrophobicContact CD2-CD1 4.09Å; L728-Y767 HydrophobicContact CD2-CG 4.2Å; L728-Y767 HydrophobicContact CG-CD1 4.2Å; L728-Y767 HydrophobicContact CG-CE1 4.48Å; L728-Y767 HydrophobicContact CG-CG 4.36Å; V763-Y767 WeakPolarHBondContact O-CB 3.36Å; V763-Y767 PolarHBondContact O-N 3.47Å; V763-Y767 VanDerWaalsContact O-N 3.17Å; Y767-D769 VanDerWaalsContact C-N 3.34Å; Y767-D769 PolarHBondContact O-N 3.23Å; Y767-Y770 WeakPolarHBondContact O-CB 3.45Å; Y767-Y770 PolarHBondContact O-N 3.09Å; Y767-M771 HydrophobicContact CD1-CG 4.26Å; Y767-M771 HydrophobicContact CD2-CG 4.45Å; Y767-M771 HydrophobicContact CE1-CG 3.84Å; Y767-M771 HydrophobicContact CE2-CG 4.05Å; Y767-M771 HydrophobicContact CE2-SD 4Å; Y767-M771 WeakPolarHBondContact O-CG 3.36Å; Y767-M771 PolarHBondContact O-N 2.66Å
768	A	98.2	Very high	97.4	Very high	55 Å²	55	31.6 Å²	31.6	46%	0.455	17%	0.165	S	C	.	.	H	α-helix	trans	-64.4	-39.2	-176.5	0	0	0	0	0	112.4	D766 M771 R772	D766-A768 PolarHBondContact O-N 2.92Å; A768-M771 PolarHBondContact O-N 3.37Å; A768-R772 PolarHBondContact O-N 3.14Å; A768-R772 VanDerWaalsContact O-N 3.12Å
769	D	98.4	Very high	97.7	Very high	52 Å²	52	30.4 Å²	30.4	28%	0.278	17%	0.168	S	C	.	.	H	α-helix	trans	-73.9	-34.2	179	-162.3	47.7	0	0	0	112	F701 G702 D766 Y767 R772 A773	F701-D769 VanDerWaalsContact CA-OD2 3.23Å; F701-D769 WeakPolarHBondContact CA-OD2 3.32Å; F701-D769 VanDerWaalsContact CB-OD2 3.32Å; F701-D769 WeakPolarHBondContact CB-OD2 3.48Å; G702-D769 PolarHBondContact N-OD2 2.81Å; D766-D769 PolarHBondContact O-N 2.96Å; Y767-D769 VanDerWaalsContact C-N 3.34Å; Y767-D769 PolarHBondContact O-N 3.23Å; D769-R772 WeakPolarHBondContact O-CB 3.49Å; D769-R772 PolarHBondContact O-N 3.19Å; D769-R772 IonicContact OD1-CZ 3.86Å; D769-R772 IonicContact OD1-NE 2.77Å; D769-R772 PolarHBondContact OD1-NE 3.29Å; D769-R772 IonicContact OD1-NH2 3.87Å; D769-R772 PolarHBondContact OD1-NH2 2.94Å; D769-R772 IonicContact OD2-NH2 3.54Å; D769-R772 PolarHBondContact OD2-NH2 2.8Å; D769-A773 PolarHBondContact O-N 2.96Å
770	Y	98.7	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-44.4	169.1	178.4	-121	0	0	0	111.8	L568 P569 Y572 E654 I656 I679 F701 D766 Y767 R772 A773 Q774	L568-Y770 HydrophobicContact CB-CD1 4.07Å; L568-Y770 HydrophobicContact CB-CE1 3.89Å; L568-Y770 HydrophobicContact CD2-CD1 4.11Å; L568-Y770 HydrophobicContact CD2-CG 4.5Å; L568-Y770 WeakPolarHBondContact O-CE1 3.43Å; P569-Y770 WeakPolarHBondContact CA-OH 3.3Å; Y572-Y770 HydrophobicContact CG-CE1 4.5Å; E654-Y770 VanDerWaalsContact CD-OH 3.3Å; E654-Y770 PolarHBondContact OE1-OH 2.87Å; E654-Y770 PolarHBondContact OE2-OH 2.87Å; I656-Y770 HydrophobicContact CG2-CE2 4.49Å; I679-Y770 HydrophobicContact CD1-CD2 3.96Å; I679-Y770 HydrophobicContact CD1-CE2 3.73Å; I679-Y770 HydrophobicContact CG1-CE2 4.42Å; F701-Y770 HydrophobicContact CD1-CD2 4.12Å; F701-Y770 HydrophobicContact CD2-CD2 4.16Å; F701-Y770 HydrophobicContact CD2-CG 4.37Å; F701-Y770 AromaticContact CE1-CD2 3.59Å; F701-Y770 HydrophobicContact CE1-CD2 3.59Å; F701-Y770 HydrophobicContact CE1-CE2 4.18Å; F701-Y770 VanDerWaalsContact CE2-CB 3.5Å; F701-Y770 AromaticContact CE2-CD2 3.67Å; F701-Y770 HydrophobicContact CE2-CD2 3.67Å; F701-Y770 AromaticContact CE2-CG 3.93Å; F701-Y770 HydrophobicContact CE2-CG 3.93Å; F701-Y770 HydrophobicContact CG-CD2 4.38Å; F701-Y770 AromaticContact CZ-CD2 3.34Å; F701-Y770 HydrophobicContact CZ-CD2 3.34Å; F701-Y770 HydrophobicContact CZ-CE2 4.09Å; F701-Y770 HydrophobicContact CZ-CG 4.04Å; D766-Y770 WeakPolarHBondContact O-CB 3.44Å; D766-Y770 PolarHBondContact O-N 3.26Å; Y767-Y770 WeakPolarHBondContact O-CB 3.45Å; Y767-Y770 PolarHBondContact O-N 3.09Å; Y770-R772 VanDerWaalsContact C-N 3.33Å; Y770-R772 PolarHBondContact O-N 3.37Å; Y770-A773 PolarHBondContact O-N 3.49Å; Y770-Q774 HydrophobicContact CD2-CG 4.33Å; Y770-Q774 HydrophobicContact CE1-CG 4.3Å; Y770-Q774 HydrophobicContact CE2-CG 3.97Å; Y770-Q774 WeakPolarHBondContact O-CG 3.38Å; Y770-Q774 PolarHBondContact O-N 3.44Å; Y770-Q774 PolarHBondContact OH-NE2 3.05Å
771	M	98.5	Very high	98	Very high	19 Å²	19	26.3 Å²	26.3	9%	0.094	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-38.4	175.7	-67.5	-57.6	-58.4	0	0	112.2	Y572 T575 Y767 A768 Q774 A775	Y572-M771 HydrophobicContact CD2-CE 3.75Å; Y572-M771 HydrophobicContact CD2-SD 3.67Å; Y572-M771 HydrophobicContact CE2-CE 4.12Å; T575-M771 HydrophobicContact CG2-CE 3.66Å; T575-M771 HydrophobicContact CG2-SD 4.45Å; Y767-M771 HydrophobicContact CD1-CG 4.26Å; Y767-M771 HydrophobicContact CD2-CG 4.45Å; Y767-M771 HydrophobicContact CE1-CG 3.84Å; Y767-M771 HydrophobicContact CE2-CG 4.05Å; Y767-M771 HydrophobicContact CE2-SD 4Å; Y767-M771 WeakPolarHBondContact O-CG 3.36Å; Y767-M771 PolarHBondContact O-N 2.66Å; A768-M771 PolarHBondContact O-N 3.37Å; M771-Q774 PolarHBondContact O-N 2.93Å; M771-A775 PolarHBondContact O-N 2.9Å; M771-A775 VanDerWaalsContact O-N 3.11Å
772	R	98.1	Very high	98	Very high	93 Å²	93	30.9 Å²	30.9	35%	0.351	17%	0.168	S	C	.	.	H	α-helix	trans	-59.3	-52.7	172.1	172.3	-159.8	56.3	76.2	0.4	110.6	V700 A768 D769 Y770 Q774 A775 E776	V700-R772 PolarHBondContact O-NH2 2.61Å; A768-R772 PolarHBondContact O-N 3.14Å; A768-R772 VanDerWaalsContact O-N 3.12Å; D769-R772 WeakPolarHBondContact O-CB 3.49Å; D769-R772 PolarHBondContact O-N 3.19Å; D769-R772 IonicContact OD1-CZ 3.86Å; D769-R772 IonicContact OD1-NE 2.77Å; D769-R772 PolarHBondContact OD1-NE 3.29Å; D769-R772 IonicContact OD1-NH2 3.87Å; D769-R772 PolarHBondContact OD1-NH2 2.94Å; D769-R772 IonicContact OD2-NH2 3.54Å; D769-R772 PolarHBondContact OD2-NH2 2.8Å; Y770-R772 VanDerWaalsContact C-N 3.33Å; Y770-R772 PolarHBondContact O-N 3.37Å; R772-Q774 VanDerWaalsContact C-N 3.25Å; R772-Q774 PolarHBondContact O-N 3.22Å; R772-A775 WeakPolarHBondContact O-CB 3.3Å; R772-A775 PolarHBondContact O-N 3.47Å; R772-E776 IonicContact CZ-OE1 2.74Å; R772-E776 VanDerWaalsContact NH1-CD 3.26Å; R772-E776 IonicContact NH1-OE1 3.68Å; R772-E776 PolarHBondContact NH1-OE1 3.32Å; R772-E776 IonicContact NH1-OE2 3.72Å; R772-E776 PolarHBondContact NH1-OE2 3.06Å; R772-E776 PolarHBondContact O-N 2.94Å; R772-E776 VanDerWaalsContact O-N 3.08Å
773	A	98.5	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-35.7	-179.3	0	0	0	0	0	112.1	I679 F701 D769 Y770 A775 E776 V777	I679-A773 HydrophobicContact CD1-CB 3.87Å; I679-A773 HydrophobicContact CG1-CB 4.37Å; F701-A773 HydrophobicContact CB-CB 3.75Å; F701-A773 HydrophobicContact CD1-CB 4.33Å; F701-A773 HydrophobicContact CG-CB 4.28Å; D769-A773 PolarHBondContact O-N 2.96Å; Y770-A773 PolarHBondContact O-N 3.49Å; A773-A775 VanDerWaalsContact C-N 3.33Å; A773-A775 PolarHBondContact O-N 2.96Å; A773-E776 WeakPolarHBondContact O-CB 3.46Å; A773-E776 PolarHBondContact O-N 3.13Å; A773-V777 WeakPolarHBondContact O-CG2 3.45Å; A773-V777 PolarHBondContact O-N 2.89Å
774	Q	98.5	Very high	97.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-32.7	173.8	-74.9	-70.8	20	0	0	113.6	D554 Y572 E654 I679 Y770 M771 R772 V777 E778	D554-Q774 PolarHBondContact OD2-NE2 2.99Å; Y572-Q774 HydrophobicContact CD2-CB 4.04Å; Y572-Q774 HydrophobicContact CD2-CG 3.87Å; Y572-Q774 HydrophobicContact CE2-CB 3.63Å; Y572-Q774 HydrophobicContact CE2-CG 3.88Å; Y572-Q774 HydrophobicContact CG-CG 4.45Å; E654-Q774 PolarHBondContact OE1-NE2 2.76Å; I679-Q774 HydrophobicContact CD1-CG 3.9Å; Y770-Q774 HydrophobicContact CD2-CG 4.33Å; Y770-Q774 HydrophobicContact CE1-CG 4.3Å; Y770-Q774 HydrophobicContact CE2-CG 3.97Å; Y770-Q774 WeakPolarHBondContact O-CG 3.38Å; Y770-Q774 PolarHBondContact O-N 3.44Å; Y770-Q774 PolarHBondContact OH-NE2 3.05Å; M771-Q774 PolarHBondContact O-N 2.93Å; R772-Q774 VanDerWaalsContact C-N 3.25Å; R772-Q774 PolarHBondContact O-N 3.22Å; Q774-V777 WeakPolarHBondContact O-CB 3.38Å; Q774-V777 PolarHBondContact O-N 3.3Å; Q774-E778 PolarHBondContact O-N 3.5Å; Q774-E778 VanDerWaalsContact O-N 3.08Å
775	A	97.9	Very high	97.9	Very high	64 Å²	64	45.4 Å²	45.4	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	-68.7	-36.6	171.9	0	0	0	0	0	111.9	M771 R772 A773 E778 S779	M771-A775 PolarHBondContact O-N 2.9Å; M771-A775 VanDerWaalsContact O-N 3.11Å; R772-A775 WeakPolarHBondContact O-CB 3.3Å; R772-A775 PolarHBondContact O-N 3.47Å; A773-A775 VanDerWaalsContact C-N 3.33Å; A773-A775 PolarHBondContact O-N 2.96Å; A775-E778 PolarHBondContact O-N 3.32Å; A775-S779 PolarHBondContact O-N 3.28Å
776	E	98	Very high	97.9	Very high	77 Å²	77	50.1 Å²	50.1	36%	0.36	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-40.1	173	-68.8	172.2	-160.6	0	0	112.1	F699 R772 A773 S779 A780	F699-E776 HydrophobicContact CD1-CB 4.06Å; F699-E776 HydrophobicContact CE1-CB 4.33Å; R772-E776 IonicContact CZ-OE1 2.74Å; R772-E776 VanDerWaalsContact NH1-CD 3.26Å; R772-E776 IonicContact NH1-OE1 3.68Å; R772-E776 PolarHBondContact NH1-OE1 3.32Å; R772-E776 IonicContact NH1-OE2 3.72Å; R772-E776 PolarHBondContact NH1-OE2 3.06Å; R772-E776 PolarHBondContact O-N 2.94Å; R772-E776 VanDerWaalsContact O-N 3.08Å; A773-E776 WeakPolarHBondContact O-CB 3.46Å; A773-E776 PolarHBondContact O-N 3.13Å; E776-S779 PolarHBondContact O-N 3.05Å; E776-A780 WeakPolarHBondContact O-CB 3.48Å; E776-A780 PolarHBondContact O-N 2.98Å
777	V	98.6	Very high	97.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-50.7	171.6	169.9	0	0	0	0	110.4	L552 L652 I679 F699 A773 Q774 S779 A780 Y781 W787	L552-V777 HydrophobicContact CD1-CG1 3.85Å; L652-V777 HydrophobicContact CD1-CG1 4.01Å; L652-V777 HydrophobicContact CD1-CG2 3.82Å; L652-V777 HydrophobicContact CD2-CB 4.49Å; L652-V777 HydrophobicContact CD2-CG1 3.77Å; L652-V777 HydrophobicContact CD2-CG2 4.03Å; L652-V777 HydrophobicContact CG-CG1 4.39Å; I679-V777 HydrophobicContact CD1-CG2 4.27Å; F699-V777 HydrophobicContact CB-CG2 4.06Å; F699-V777 HydrophobicContact CD1-CG2 3.76Å; F699-V777 HydrophobicContact CD2-CG2 3.49Å; F699-V777 VanDerWaalsContact CD2-CG2 3.49Å; F699-V777 HydrophobicContact CE1-CB 4.42Å; F699-V777 HydrophobicContact CE1-CG2 4.01Å; F699-V777 HydrophobicContact CE2-CB 4.46Å; F699-V777 HydrophobicContact CE2-CG2 3.75Å; F699-V777 HydrophobicContact CG-CG2 3.48Å; F699-V777 VanDerWaalsContact CG-CG2 3.48Å; F699-V777 HydrophobicContact CZ-CB 4.36Å; F699-V777 HydrophobicContact CZ-CG2 4Å; A773-V777 WeakPolarHBondContact O-CG2 3.45Å; A773-V777 PolarHBondContact O-N 2.89Å; Q774-V777 WeakPolarHBondContact O-CB 3.38Å; Q774-V777 PolarHBondContact O-N 3.3Å; V777-S779 VanDerWaalsContact C-N 3.33Å; V777-S779 PolarHBondContact O-N 2.89Å; V777-A780 PolarHBondContact O-N 3.45Å; V777-Y781 WeakPolarHBondContact O-CB 3.33Å; V777-Y781 PolarHBondContact O-N 2.57Å; V777-W787 HydrophobicContact CG1-CZ3 4.43Å
778	E	97.6	Very high	97.9	Very high	27 Å²	27	50.9 Å²	50.9	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-42.2	179.7	-178.3	168.1	145.1	0	0	111.7	C589 Q774 A775 A780 Y781 K782	C589-E778 HydrophobicContact CB-CG 4.05Å; C589-E778 PolarHBondContact N-OE1 3.07Å; Q774-E778 PolarHBondContact O-N 3.5Å; Q774-E778 VanDerWaalsContact O-N 3.08Å; A775-E778 PolarHBondContact O-N 3.32Å; E778-A780 VanDerWaalsContact C-N 3.33Å; E778-A780 PolarHBondContact O-N 2.82Å; E778-Y781 PolarHBondContact O-N 3.46Å; E778-K782 HydrophobicContact CG-CD 4.47Å; E778-K782 WeakPolarHBondContact O-CG 3.42Å; E778-K782 PolarHBondContact O-N 2.95Å; E778-K782 VanDerWaalsContact O-N 3.14Å; E778-K782 VanDerWaalsContact OE1-CE 3.29Å; E778-K782 WeakPolarHBondContact OE1-CE 3.35Å; E778-K782 IonicContact OE1-NZ 3.94Å; E778-K782 PolarHBondContact OE1-NZ 2.8Å
779	S	97.4	Very high	97.9	Very high	70 Å²	70	51.6 Å²	51.6	49%	0.49	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-40	176.1	-176.2	0	0	0	0	112.4	A775 E776 V777	A775-S779 PolarHBondContact O-N 3.28Å; E776-S779 PolarHBondContact O-N 3.05Å; V777-S779 VanDerWaalsContact C-N 3.33Å; V777-S779 PolarHBondContact O-N 2.89Å
780	A	97.8	Very high	97.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.2	-38	178.5	0	0	0	0	0	111.8	F699 E776 V777 E778 K782 D783 W787 M790	F699-A780 HydrophobicContact CE1-CB 3.91Å; F699-A780 HydrophobicContact CZ-CB 3.72Å; E776-A780 WeakPolarHBondContact O-CB 3.48Å; E776-A780 PolarHBondContact O-N 2.98Å; V777-A780 PolarHBondContact O-N 3.45Å; E778-A780 VanDerWaalsContact C-N 3.33Å; E778-A780 PolarHBondContact O-N 2.82Å; A780-K782 VanDerWaalsContact C-N 3.31Å; A780-K782 PolarHBondContact O-N 3.32Å; A780-D783 CarbonylContact O-C 3.6Å; A780-D783 PolarHBondContact O-N 2.88Å; A780-D783 VanDerWaalsContact O-N 3.13Å; A780-W787 HydrophobicContact CB-CE3 4.22Å; A780-M790 HydrophobicContact CB-SD 4.33Å
781	Y	97.6	Very high	97.9	Very high	49 Å²	49	49.4 Å²	49.4	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-30.8	179.1	-167.3	-101.4	0	0	0	112.7	L552 C589 D651 V777 E778 D783 W787	L552-Y781 HydrophobicContact CB-CD1 4.32Å; L552-Y781 HydrophobicContact CB-CD2 4.45Å; L552-Y781 HydrophobicContact CB-CE1 4.01Å; L552-Y781 HydrophobicContact CB-CE2 4.15Å; L552-Y781 HydrophobicContact CD1-CD1 4.14Å; L552-Y781 HydrophobicContact CD1-CD2 3.65Å; L552-Y781 HydrophobicContact CD1-CE2 4.14Å; L552-Y781 HydrophobicContact CD1-CG 3.65Å; L552-Y781 HydrophobicContact CG-CD2 4.11Å; L552-Y781 HydrophobicContact CG-CE2 4.08Å; L552-Y781 HydrophobicContact CG-CG 4.42Å; C589-Y781 HydrophobicContact CB-CD1 4.48Å; D651-Y781 HydrophobicContact CB-CE2 4.4Å; V777-Y781 WeakPolarHBondContact O-CB 3.33Å; V777-Y781 PolarHBondContact O-N 2.57Å; E778-Y781 PolarHBondContact O-N 3.46Å; Y781-D783 PolarHBondContact O-N 2.98Å; Y781-W787 AromaticContact CD2-CD2 3.69Å; Y781-W787 HydrophobicContact CD2-CD2 3.69Å; Y781-W787 AromaticContact CD2-CE2 3.61Å; Y781-W787 AromaticContact CD2-CE3 3.82Å; Y781-W787 HydrophobicContact CD2-CE3 3.82Å; Y781-W787 HydrophobicContact CD2-CG 4.36Å; Y781-W787 AromaticContact CD2-CH2 3.82Å; Y781-W787 HydrophobicContact CD2-CH2 3.82Å; Y781-W787 AromaticContact CD2-CZ2 3.72Å; Y781-W787 HydrophobicContact CD2-CZ2 3.72Å; Y781-W787 AromaticContact CD2-CZ3 3.85Å; Y781-W787 HydrophobicContact CD2-CZ3 3.85Å; Y781-W787 HydrophobicContact CE2-CD2 4.47Å; Y781-W787 HydrophobicContact CE2-CZ2 4.13Å; Y781-W787 HydrophobicContact CG-CE3 4.35Å; Y781-W787 HydrophobicContact CG-CZ3 4.41Å
782	K	96.8	Very high	97.9	Very high	124 Å²	124	48.6 Å²	48.6	54%	0.539	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.9	172.4	-71.9	174.5	-174.7	166.8	0	113.3	C589 E778 A780	C589-K782 WeakPolarHBondContact SG-CE 3.26Å; C589-K782 WeakPolarHBondContact SG-CG 3.37Å; E778-K782 HydrophobicContact CG-CD 4.47Å; E778-K782 WeakPolarHBondContact O-CG 3.42Å; E778-K782 PolarHBondContact O-N 2.95Å; E778-K782 VanDerWaalsContact O-N 3.14Å; E778-K782 VanDerWaalsContact OE1-CE 3.29Å; E778-K782 WeakPolarHBondContact OE1-CE 3.35Å; E778-K782 IonicContact OE1-NZ 3.94Å; E778-K782 PolarHBondContact OE1-NZ 2.8Å; A780-K782 VanDerWaalsContact C-N 3.31Å; A780-K782 PolarHBondContact O-N 3.32Å
783	D	97.4	Very high	97.9	Very high	73 Å²	73	45.5 Å²	45.5	39%	0.39	23%	0.23	S	C	.	.			trans	-98.1	90.1	176.1	-179	-14.8	0	0	0	109.5	A780 Y781 V785 R786 W787	A780-D783 CarbonylContact O-C 3.6Å; A780-D783 PolarHBondContact O-N 2.88Å; A780-D783 VanDerWaalsContact O-N 3.13Å; Y781-D783 PolarHBondContact O-N 2.98Å; D783-V785 PolarHBondContact O-N 3.48Å; D783-V785 PolarHBondContact OD1-N 2.63Å; D783-R786 HydrophobicContact CB-CB 3.86Å; D783-R786 PolarHBondContact O-N 3.05Å; D783-R786 VanDerWaalsContact O-N 3.13Å; D783-R786 WeakPolarHBondContact OD1-CB 3.32Å; D783-R786 PolarHBondContact OD1-N 3.44Å; D783-R786 VanDerWaalsContact OD2-CB 3.25Å; D783-R786 WeakPolarHBondContact OD2-CB 3.42Å; D783-W787 WeakPolarHBondContact O-CB 3.21Å; D783-W787 PolarHBondContact O-N 2.78Å
784	E	96.3	Very high	97.9	Very high	163 Å²	163	45.5 Å²	45.5	76%	0.762	23%	0.23	S	C	*	.	H	α-helix	trans	-56.3	-34.4	-176.8	-62.5	-178.5	175.9	0	0	113	S788	E784-S788 VanDerWaalsContact O-CB 3.26Å; E784-S788 WeakPolarHBondContact O-CB 3.23Å; E784-S788 PolarHBondContact O-N 2.89Å; E784-S788 PolarHBondContact O-OG 3.38Å
785	V	97.6	Very high	97.9	Very high	79 Å²	79	45.5 Å²	45.5	48%	0.479	23%	0.23	S	C	.	.	H	α-helix	trans	-71	-46.1	179.8	176.4	0	0	0	0	109.8	R521 D783 S788 K789	R521-V785 VanDerWaalsContact NH1-CG1 3.29Å; R521-V785 PolarHBondContact NH1-O 2.78Å; D783-V785 PolarHBondContact O-N 3.48Å; D783-V785 PolarHBondContact OD1-N 2.63Å; V785-S788 PolarHBondContact O-OG 3.04Å; V785-S788 VanDerWaalsContact O-OG 3.05Å; V785-K789 WeakPolarHBondContact O-CG 3.47Å; V785-K789 PolarHBondContact O-N 3.27Å
786	R	97.6	Very high	97.9	Very high	104 Å²	104	42.4 Å²	42.4	39%	0.392	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-48.4	175.8	179.5	-179.9	174.9	-172.9	-1.7	111.1	D783 S788 K789 M790	D783-R786 HydrophobicContact CB-CB 3.86Å; D783-R786 PolarHBondContact O-N 3.05Å; D783-R786 VanDerWaalsContact O-N 3.13Å; D783-R786 WeakPolarHBondContact OD1-CB 3.32Å; D783-R786 PolarHBondContact OD1-N 3.44Å; D783-R786 VanDerWaalsContact OD2-CB 3.25Å; D783-R786 WeakPolarHBondContact OD2-CB 3.42Å; R786-S788 PolarHBondContact O-N 3.28Å; R786-K789 PolarHBondContact O-N 2.95Å; R786-M790 HydrophobicContact CG-CG 4.49Å; R786-M790 HydrophobicContact CG-SD 3.95Å; R786-M790 WeakPolarHBondContact O-CG 3.44Å; R786-M790 PolarHBondContact O-N 3.16Å
787	W	98.2	Very high	97.9	Very high	13 Å²	13	38.8 Å²	38.8	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-51.2	-179.9	-173.3	-94.4	0	0	0	111.7	L552 D651 L677 F699 V777 A780 Y781 D783 K789 M790 V791	L552-W787 HydrophobicContact CD1-CH2 4.44Å; D651-W787 HydrophobicContact CB-CZ2 3.92Å; D651-W787 WeakPolarHBondContact O-CZ2 3.35Å; L677-W787 HydrophobicContact CB-CH2 4.27Å; L677-W787 HydrophobicContact CD1-CD2 3.86Å; L677-W787 HydrophobicContact CD1-CE3 3.59Å; L677-W787 HydrophobicContact CD1-CH2 3.64Å; L677-W787 HydrophobicContact CD1-CZ2 3.87Å; L677-W787 HydrophobicContact CD1-CZ3 3.51Å; L677-W787 HydrophobicContact CG-CH2 4.05Å; L677-W787 HydrophobicContact CG-CZ2 4Å; L677-W787 HydrophobicContact CG-CZ3 4.41Å; F699-W787 HydrophobicContact CE2-CZ3 4.32Å; F699-W787 HydrophobicContact CZ-CZ3 4.25Å; V777-W787 HydrophobicContact CG1-CZ3 4.43Å; A780-W787 HydrophobicContact CB-CE3 4.22Å; Y781-W787 AromaticContact CD2-CD2 3.69Å; Y781-W787 HydrophobicContact CD2-CD2 3.69Å; Y781-W787 AromaticContact CD2-CE2 3.61Å; Y781-W787 AromaticContact CD2-CE3 3.82Å; Y781-W787 HydrophobicContact CD2-CE3 3.82Å; Y781-W787 HydrophobicContact CD2-CG 4.36Å; Y781-W787 AromaticContact CD2-CH2 3.82Å; Y781-W787 HydrophobicContact CD2-CH2 3.82Å; Y781-W787 AromaticContact CD2-CZ2 3.72Å; Y781-W787 HydrophobicContact CD2-CZ2 3.72Å; Y781-W787 AromaticContact CD2-CZ3 3.85Å; Y781-W787 HydrophobicContact CD2-CZ3 3.85Å; Y781-W787 HydrophobicContact CE2-CD2 4.47Å; Y781-W787 HydrophobicContact CE2-CZ2 4.13Å; Y781-W787 HydrophobicContact CG-CE3 4.35Å; Y781-W787 HydrophobicContact CG-CZ3 4.41Å; D783-W787 WeakPolarHBondContact O-CB 3.21Å; D783-W787 PolarHBondContact O-N 2.78Å; W787-K789 VanDerWaalsContact C-N 3.3Å; W787-K789 PolarHBondContact O-N 2.57Å; W787-M790 PolarHBondContact O-N 3.23Å; W787-M790 VanDerWaalsContact O-N 3.13Å; W787-V791 WeakPolarHBondContact O-CG2 3.41Å; W787-V791 PolarHBondContact O-N 3.17Å
788	S	98.2	Very high	97.8	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-33.1	179.7	58.6	0	0	0	0	113.6	R521 E784 V785 R786 L792	R521-S788 PolarHBondContact NH1-OG 2.9Å; E784-S788 VanDerWaalsContact O-CB 3.26Å; E784-S788 WeakPolarHBondContact O-CB 3.23Å; E784-S788 PolarHBondContact O-N 2.89Å; E784-S788 PolarHBondContact O-OG 3.38Å; V785-S788 PolarHBondContact O-OG 3.04Å; V785-S788 VanDerWaalsContact O-OG 3.05Å; R786-S788 PolarHBondContact O-N 3.28Å; S788-L792 PolarHBondContact O-N 2.81Å; S788-L792 VanDerWaalsContact O-N 3.1Å
789	K	98.3	Very high	97.8	Very high	69 Å²	69	37.8 Å²	37.8	30%	0.3	19%	0.185	S	C	.	.	H	α-helix	trans	-66.5	-45.8	172.3	-80.6	177.7	174.7	-164.5	0	111.8	L515 N516 V785 R786 W787 V791 L792 M793	L515-K789 WeakPolarHBondContact O-CE 3.35Å; N516-K789 PolarHBondContact OD1-NZ 3.28Å; V785-K789 WeakPolarHBondContact O-CG 3.47Å; V785-K789 PolarHBondContact O-N 3.27Å; R786-K789 PolarHBondContact O-N 2.95Å; W787-K789 VanDerWaalsContact C-N 3.3Å; W787-K789 PolarHBondContact O-N 2.57Å; K789-V791 VanDerWaalsContact C-N 3.31Å; K789-V791 PolarHBondContact O-N 3.09Å; K789-L792 PolarHBondContact O-N 3.44Å; K789-M793 WeakPolarHBondContact O-CB 3.18Å; K789-M793 PolarHBondContact O-N 2.77Å
790	M	98.4	Very high	97.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-42.5	177.7	-66	171.9	74	0	0	110.9	L677 F699 A780 R786 W787 M793 N794	L677-M790 HydrophobicContact CD1-CB 3.82Å; L677-M790 HydrophobicContact CD1-CE 3.82Å; L677-M790 HydrophobicContact CD1-SD 4.12Å; L677-M790 HydrophobicContact CD2-CB 3.73Å; L677-M790 HydrophobicContact CG-CB 4.47Å; F699-M790 HydrophobicContact CE1-CE 4.18Å; F699-M790 HydrophobicContact CE2-CE 4.07Å; F699-M790 HydrophobicContact CZ-CE 3.67Å; A780-M790 HydrophobicContact CB-SD 4.33Å; R786-M790 HydrophobicContact CG-CG 4.49Å; R786-M790 HydrophobicContact CG-SD 3.95Å; R786-M790 WeakPolarHBondContact O-CG 3.44Å; R786-M790 PolarHBondContact O-N 3.16Å; W787-M790 PolarHBondContact O-N 3.23Å; W787-M790 VanDerWaalsContact O-N 3.13Å; M790-M793 PolarHBondContact O-N 3.16Å; M790-N794 PolarHBondContact O-N 2.96Å; M790-N794 PolarHBondContact O-ND2 3.23Å
791	V	98.6	Very high	97.8	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-50.7	177.5	168.2	0	0	0	0	110.9	L524 G675 L677 W787 K789 M793 N794 I795	L524-V791 HydrophobicContact CD2-CG1 3.9Å; L524-V791 HydrophobicContact CG-CG1 4.22Å; G675-V791 WeakPolarHBondContact O-CG1 3.32Å; L677-V791 HydrophobicContact CD2-CG2 4.09Å; L677-V791 HydrophobicContact CG-CG2 4.3Å; W787-V791 WeakPolarHBondContact O-CG2 3.41Å; W787-V791 PolarHBondContact O-N 3.17Å; K789-V791 VanDerWaalsContact C-N 3.31Å; K789-V791 PolarHBondContact O-N 3.09Å; V791-M793 VanDerWaalsContact C-N 3.33Å; V791-M793 PolarHBondContact O-N 3.22Å; V791-N794 PolarHBondContact O-N 2.85Å; V791-I795 HydrophobicContact CG1-CD1 4.28Å; V791-I795 PolarHBondContact O-N 2.99Å
792	L	98.4	Very high	97.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-40.6	178.3	177.9	51.6	0	0	0	112.1	L511 K514 L515 F520 R521 L524 S788 K789 N794 I795 A796	L511-L792 HydrophobicContact CB-CD1 3.93Å; K514-L792 HydrophobicContact CB-CD2 4.07Å; L515-L792 HydrophobicContact CD2-CB 4.19Å; L515-L792 HydrophobicContact CD2-CD2 4.08Å; L515-L792 HydrophobicContact CD2-CG 4.02Å; L515-L792 HydrophobicContact CG-CD2 4.41Å; F520-L792 HydrophobicContact CD1-CD1 4.48Å; F520-L792 HydrophobicContact CD1-CD2 3.9Å; F520-L792 HydrophobicContact CE1-CD1 3.6Å; F520-L792 HydrophobicContact CE1-CD2 3.85Å; F520-L792 HydrophobicContact CE1-CG 4.36Å; F520-L792 HydrophobicContact CZ-CD1 4.37Å; R521-L792 HydrophobicContact CG-CD2 4.27Å; L524-L792 HydrophobicContact CD2-CB 3.85Å; L524-L792 HydrophobicContact CD2-CD1 4.26Å; S788-L792 PolarHBondContact O-N 2.81Å; S788-L792 VanDerWaalsContact O-N 3.1Å; K789-L792 PolarHBondContact O-N 3.44Å; L792-N794 VanDerWaalsContact C-N 3.34Å; L792-N794 PolarHBondContact O-N 3.1Å; L792-I795 PolarHBondContact O-N 3.23Å; L792-A796 WeakPolarHBondContact O-CB 3.35Å; L792-A796 PolarHBondContact O-N 3.08Å
793	M	98.3	Very high	97.9	Very high	27 Å²	27	28.6 Å²	28.6	13%	0.133	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-39.5	178.2	-172.9	60.5	-164.9	0	0	112.1	K512 L515 V693 N697 K789 M790 V791 A796 A797	K512-M793 HydrophobicContact CD-CE 4.34Å; K512-M793 HydrophobicContact CD-SD 4.21Å; K512-M793 VanDerWaalsContact CE-CE 3.5Å; K512-M793 HydrophobicContact CG-SD 4.05Å; L515-M793 HydrophobicContact CD1-SD 4.45Å; L515-M793 HydrophobicContact CD2-CB 4.32Å; V693-M793 HydrophobicContact CG2-CB 4.45Å; V693-M793 HydrophobicContact CG2-CG 3.94Å; N697-M793 HydrophobicContact CB-CG 4.43Å; N697-M793 WeakPolarHBondContact ND2-CG 3.46Å; K789-M793 WeakPolarHBondContact O-CB 3.18Å; K789-M793 PolarHBondContact O-N 2.77Å; M790-M793 PolarHBondContact O-N 3.16Å; V791-M793 VanDerWaalsContact C-N 3.33Å; V791-M793 PolarHBondContact O-N 3.22Å; M793-A796 PolarHBondContact O-N 2.86Å; M793-A797 HydrophobicContact CE-CB 4.44Å; M793-A797 VanDerWaalsContact O-CB 3.29Å; M793-A797 WeakPolarHBondContact O-CB 3.44Å; M793-A797 PolarHBondContact O-N 2.98Å
794	N	98.4	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-47.1	174.5	-85.5	-94.1	0	0	0	111.6	M672 L677 V693 N697 M790 V791 L792 A796 A797 A798	M672-N794 WeakPolarHBondContact CE-O 3.34Å; M672-N794 HydrophobicContact CG-CB 4.17Å; M672-N794 WeakPolarHBondContact CG-O 3.37Å; L677-N794 VanDerWaalsContact CD2-ND2 3.26Å; L677-N794 WeakPolarHBondContact CD2-ND2 3.41Å; V693-N794 HydrophobicContact CG2-CB 4.24Å; N697-N794 PolarHBondContact O-ND2 2.84Å; N697-N794 VanDerWaalsContact O-ND2 3.07Å; M790-N794 PolarHBondContact O-N 2.96Å; M790-N794 PolarHBondContact O-ND2 3.23Å; V791-N794 PolarHBondContact O-N 2.85Å; L792-N794 VanDerWaalsContact C-N 3.34Å; L792-N794 PolarHBondContact O-N 3.1Å; N794-A796 PolarHBondContact O-N 2.83Å; N794-A797 PolarHBondContact O-N 3.04Å; N794-A798 PolarHBondContact O-N 3.41Å
795	I	98.5	Very high	98	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-62.5	-46.4	177.5	-62.6	167.3	0	0	0	110.5	L488 I492 L511 L524 V791 L792 A797 A798	L488-I795 HydrophobicContact CD1-CD1 4.11Å; L488-I795 HydrophobicContact CD2-CD1 4.04Å; I492-I795 HydrophobicContact CD1-CG2 4.33Å; L511-I795 HydrophobicContact CD1-CG2 3.92Å; L524-I795 HydrophobicContact CD1-CD1 3.71Å; L524-I795 HydrophobicContact CD2-CD1 4.24Å; V791-I795 HydrophobicContact CG1-CD1 4.28Å; V791-I795 PolarHBondContact O-N 2.99Å; L792-I795 PolarHBondContact O-N 3.23Å; I795-A797 VanDerWaalsContact C-N 3.27Å; I795-A797 PolarHBondContact O-N 3.18Å; I795-A798 WeakPolarHBondContact O-CB 3.36Å; I795-A798 PolarHBondContact O-N 2.66Å
796	A	97.8	Very high	98	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.1	-32.4	-177.4	0	0	0	0	0	112.8	L508 N509 L511 K512 L792 M793 N794	L508-A796 CarbonylContact C-O 3.53Å; L508-A796 VanDerWaalsContact C-O 3.31Å; L508-A796 WeakPolarHBondContact O-CA 3.44Å; N509-A796 VanDerWaalsContact CA-O 3.29Å; N509-A796 WeakPolarHBondContact CA-O 3.29Å; N509-A796 PolarHBondContact N-O 3.3Å; N509-A796 VanDerWaalsContact N-O 3.13Å; N509-A796 PolarHBondContact OD1-O 2.91Å; L511-A796 HydrophobicContact CB-CB 3.94Å; K512-A796 HydrophobicContact CG-CB 3.81Å; L792-A796 WeakPolarHBondContact O-CB 3.35Å; L792-A796 PolarHBondContact O-N 3.08Å; M793-A796 PolarHBondContact O-N 2.86Å; N794-A796 PolarHBondContact O-N 2.83Å
797	A	97.7	Very high	98.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-85.8	-6.6	179	0	0	0	0	0	114	M672 E692 V693 M793 N794 I795 G799	M672-A797 VanDerWaalsContact CE-C 3.42Å; M672-A797 HydrophobicContact CE-CB 3.55Å; E692-A797 HydrophobicContact CB-CB 4.28Å; E692-A797 WeakPolarHBondContact O-CB 3.48Å; V693-A797 HydrophobicContact CB-CB 4.29Å; V693-A797 HydrophobicContact CG2-CB 4.36Å; M793-A797 HydrophobicContact CE-CB 4.44Å; M793-A797 VanDerWaalsContact O-CB 3.29Å; M793-A797 WeakPolarHBondContact O-CB 3.44Å; M793-A797 PolarHBondContact O-N 2.98Å; N794-A797 PolarHBondContact O-N 3.04Å; I795-A797 VanDerWaalsContact C-N 3.27Å; I795-A797 PolarHBondContact O-N 3.18Å; A797-G799 PolarHBondContact O-N 3.47Å; A797-G799 VanDerWaalsContact O-N 3.14Å
798	A	97.9	Very high	98	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.017	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-71.3	-10.9	-172	0	0	0	0	0	114.3	M672 L673 N794 I795 K800 F801	M672-A798 HydrophobicContact CE-CB 4.34Å; M672-A798 HydrophobicContact CG-CB 4.17Å; M672-A798 HydrophobicContact SD-CB 4.18Å; L673-A798 HydrophobicContact CB-CB 4.15Å; L673-A798 HydrophobicContact CD1-CB 3.73Å; N794-A798 PolarHBondContact O-N 3.41Å; I795-A798 WeakPolarHBondContact O-CB 3.36Å; I795-A798 PolarHBondContact O-N 2.66Å; A798-K800 VanDerWaalsContact C-N 3.32Å; A798-K800 PolarHBondContact O-N 3.04Å; A798-F801 PolarHBondContact O-N 3.34Å
799	G	97	Very high	98	Very high	3 Å²	3	17 Å²	17	3%	0.031	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-57.2	-35.3	-170.1	0	0	0	0	0	116	L505 A797 F801 S802	L505-G799 VanDerWaalsContact C-CA 3.49Å; L505-G799 WeakPolarHBondContact O-CA 3.44Å; A797-G799 PolarHBondContact O-N 3.47Å; A797-G799 VanDerWaalsContact O-N 3.14Å; G799-F801 PolarHBondContact O-N 3.44Å; G799-S802 PolarHBondContact O-N 3.44Å
800	K	96.6	Very high	98	Very high	46 Å²	46	13.7 Å²	13.7	20%	0.2	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-60.6	-27.8	177.2	176.9	176.1	172.3	-177	0	112.9	E688 E692 A798 S802 R805	E688-K800 IonicContact OE1-NZ 2.77Å; E692-K800 VanDerWaalsContact CD-CD 3.42Å; E692-K800 HydrophobicContact CG-CB 4.4Å; E692-K800 HydrophobicContact CG-CD 3.76Å; E692-K800 WeakPolarHBondContact OE1-CD 3.43Å; E692-K800 IonicContact OE1-NZ 3.02Å; E692-K800 PolarHBondContact OE1-NZ 3.01Å; A798-K800 VanDerWaalsContact C-N 3.32Å; A798-K800 PolarHBondContact O-N 3.04Å; K800-S802 VanDerWaalsContact C-N 3.28Å; K800-S802 PolarHBondContact O-N 3.11Å; K800-R805 PolarHBondContact O-NE 3.18Å; K800-R805 PolarHBondContact O-NH2 3.06Å
801	F	98	Very high	98	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-90.2	17	-173.3	-54.6	-67.7	0	0	0	113.5	G474 I475 M669 M672 E688 I689 E692 A798 G799	G474-F801 CarbonylContact C-O 3.5Å; G474-F801 WeakPolarHBondContact CA-O 3.31Å; I475-F801 PolarHBondContact N-O 3.44Å; M669-F801 HydrophobicContact CB-CB 4.01Å; M669-F801 HydrophobicContact CB-CG 4.47Å; M669-F801 HydrophobicContact CE-CD1 3.8Å; M669-F801 HydrophobicContact CE-CE1 4.4Å; M669-F801 HydrophobicContact CG-CB 3.8Å; M669-F801 HydrophobicContact CG-CD1 3.94Å; M669-F801 HydrophobicContact CG-CG 3.89Å; M669-F801 HydrophobicContact SD-CB 3.93Å; M669-F801 HydrophobicContact SD-CD1 4.01Å; M669-F801 HydrophobicContact SD-CG 4.28Å; M672-F801 HydrophobicContact CE-CD2 4.39Å; M672-F801 HydrophobicContact CE-CE2 4.02Å; M672-F801 HydrophobicContact SD-CD2 3.68Å; M672-F801 HydrophobicContact SD-CE2 3.63Å; E688-F801 HydrophobicContact CB-CE1 4.02Å; E688-F801 HydrophobicContact CB-CZ 4.12Å; I689-F801 HydrophobicContact CB-CE2 4.49Å; I689-F801 HydrophobicContact CB-CZ 4.31Å; I689-F801 HydrophobicContact CG1-CD2 4.38Å; I689-F801 HydrophobicContact CG1-CE1 4.11Å; I689-F801 HydrophobicContact CG1-CE2 3.72Å; I689-F801 HydrophobicContact CG1-CZ 3.57Å; E692-F801 HydrophobicContact CB-CE2 4.28Å; E692-F801 HydrophobicContact CG-CE2 3.96Å; E692-F801 HydrophobicContact CG-CZ 3.91Å; A798-F801 PolarHBondContact O-N 3.34Å; G799-F801 PolarHBondContact O-N 3.44Å
802	S	98.4	Very high	97.9	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.021	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-68.3	134.4	167.9	179.2	0	0	0	0	111.4	I475 G799 K800 D804 R805 T806	I475-S802 WeakPolarHBondContact O-CA 3.37Å; G799-S802 PolarHBondContact O-N 3.44Å; K800-S802 VanDerWaalsContact C-N 3.28Å; K800-S802 PolarHBondContact O-N 3.11Å; S802-D804 PolarHBondContact O-N 2.98Å; S802-D804 WeakPolarHBondContact OG-CB 3.38Å; S802-D804 PolarHBondContact OG-N 2.94Å; S802-D804 VanDerWaalsContact OG-N 3.11Å; S802-R805 PolarHBondContact O-N 3Å; S802-T806 PolarHBondContact O-N 3.07Å; S802-T806 PolarHBondContact O-OG1 3.19Å
803	S	98.4	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-21.3	170	53.7	0	0	0	0	112	S140 I475 S476 T806 V807	S140-S803 VanDerWaalsContact OG-CB 3.3Å; S140-S803 WeakPolarHBondContact OG-CB 3.49Å; S140-S803 PolarHBondContact OG-OG 2.88Å; I475-S803 PolarHBondContact O-N 3.32Å; I475-S803 PolarHBondContact O-OG 3.06Å; S476-S803 WeakPolarHBondContact CA-OG 3.02Å; S476-S803 PolarHBondContact N-OG 2.7Å; S476-S803 VanDerWaalsContact N-OG 3.15Å; S803-T806 WeakPolarHBondContact O-CB 3.42Å; S803-T806 PolarHBondContact O-N 2.96Å; S803-V807 WeakPolarHBondContact O-CB 3.24Å; S803-V807 WeakPolarHBondContact O-CG2 3.42Å; S803-V807 PolarHBondContact O-N 3.13Å
804	D	98.1	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.1	-40	175.5	-61.4	-7.8	0	0	0	111.6	S140 I144 R478 S802 T806 R808	S140-D804 VanDerWaalsContact CB-OD1 3.3Å; S140-D804 WeakPolarHBondContact CB-OD1 3.3Å; S140-D804 PolarHBondContact OG-N 3.21Å; S140-D804 VanDerWaalsContact OG-N 3.17Å; S140-D804 PolarHBondContact OG-OD1 2.97Å; I144-D804 HydrophobicContact CD1-CB 3.98Å; I144-D804 HydrophobicContact CG1-CB 4.49Å; R478-D804 IonicContact CZ-OD1 3.28Å; R478-D804 VanDerWaalsContact CZ-OD1 3.27Å; R478-D804 IonicContact CZ-OD2 3.29Å; R478-D804 IonicContact NH1-OD1 3.63Å; R478-D804 PolarHBondContact NH1-OD1 3.09Å; R478-D804 IonicContact NH1-OD2 2.74Å; R478-D804 PolarHBondContact NH1-OD2 3.25Å; R478-D804 IonicContact NH2-OD1 3.42Å; R478-D804 PolarHBondContact NH2-OD1 2.89Å; S802-D804 PolarHBondContact O-N 2.98Å; S802-D804 WeakPolarHBondContact OG-CB 3.38Å; S802-D804 PolarHBondContact OG-N 2.94Å; S802-D804 VanDerWaalsContact OG-N 3.11Å; D804-T806 VanDerWaalsContact C-N 3.32Å; D804-R808 WeakPolarHBondContact O-CB 3.27Å; D804-R808 VanDerWaalsContact O-CG 3.24Å; D804-R808 WeakPolarHBondContact O-CG 3.45Å; D804-R808 PolarHBondContact O-N 3.21Å
805	R	97.8	Very high	97.7	Very high	43 Å²	43	22.8 Å²	22.8	16%	0.162	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-49.1	173.9	-180	-83.5	-56.3	151.9	5.1	109.6	T472 N473 K800 S802 V807 R808 E809	T472-R805 VanDerWaalsContact O-CZ 3.32Å; T472-R805 PolarHBondContact O-NH1 2.91Å; T472-R805 PolarHBondContact O-NH2 3.39Å; N473-R805 PolarHBondContact O-NH2 3.44Å; N473-R805 VanDerWaalsContact O-NH2 3.15Å; K800-R805 PolarHBondContact O-NE 3.18Å; K800-R805 PolarHBondContact O-NH2 3.06Å; S802-R805 PolarHBondContact O-N 3Å; R805-V807 PolarHBondContact O-N 3.38Å; R805-R808 PolarHBondContact O-N 2.91Å; R805-E809 WeakPolarHBondContact CD-OE1 3.49Å; R805-E809 WeakPolarHBondContact CD-OE2 3.29Å; R805-E809 IonicContact CZ-OE2 2.94Å; R805-E809 IonicContact NE-OE2 3.93Å; R805-E809 IonicContact NH1-OE2 3.42Å; R805-E809 PolarHBondContact NH1-OE2 2.97Å; R805-E809 WeakPolarHBondContact O-CG 3.34Å; R805-E809 PolarHBondContact O-N 3.18Å
806	T	98	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-51.9	179.6	-48.7	0	0	0	0	111.1	F137 T472 G474 S802 S803 D804 R808 E809 Y810	F137-T806 HydrophobicContact CE1-CG2 3.76Å; F137-T806 HydrophobicContact CZ-CG2 3.54Å; T472-T806 WeakPolarHBondContact O-CG2 3.4Å; T472-T806 PolarHBondContact O-OG1 2.98Å; T472-T806 VanDerWaalsContact O-OG1 3.11Å; G474-T806 PolarHBondContact N-OG1 2.9Å; S802-T806 PolarHBondContact O-N 3.07Å; S802-T806 PolarHBondContact O-OG1 3.19Å; S803-T806 WeakPolarHBondContact O-CB 3.42Å; S803-T806 PolarHBondContact O-N 2.96Å; D804-T806 VanDerWaalsContact C-N 3.32Å; T806-R808 PolarHBondContact O-N 3.04Å; T806-E809 WeakPolarHBondContact O-CB 3.39Å; T806-E809 PolarHBondContact O-N 2.45Å; T806-E809 VanDerWaalsContact O-N 3.16Å; T806-Y810 HydrophobicContact CG2-CD2 3.89Å; T806-Y810 HydrophobicContact CG2-CE2 3.61Å; T806-Y810 VanDerWaalsContact O-CD2 3.25Å; T806-Y810 WeakPolarHBondContact O-CD2 3.47Å; T806-Y810 PolarHBondContact O-N 2.7Å
807	V	98.2	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-37.8	-179.5	167.2	0	0	0	0	112.3	F137 M141 I144 L146 S803 R805 E809 Y810 A811 W815	F137-V807 HydrophobicContact CB-CG2 4.16Å; F137-V807 HydrophobicContact CD1-CG2 3.89Å; F137-V807 HydrophobicContact CE1-CG2 4.42Å; F137-V807 HydrophobicContact CG-CG2 3.95Å; M141-V807 HydrophobicContact CG-CG1 3.66Å; M141-V807 HydrophobicContact CG-CG2 4.43Å; I144-V807 HydrophobicContact CD1-CB 4.21Å; I144-V807 HydrophobicContact CD1-CG1 3.96Å; L146-V807 HydrophobicContact CD1-CG1 3.4Å; S803-V807 WeakPolarHBondContact O-CB 3.24Å; S803-V807 WeakPolarHBondContact O-CG2 3.42Å; S803-V807 PolarHBondContact O-N 3.13Å; R805-V807 PolarHBondContact O-N 3.38Å; V807-E809 VanDerWaalsContact C-N 3.32Å; V807-E809 PolarHBondContact O-N 2.67Å; V807-Y810 PolarHBondContact O-N 2.89Å; V807-A811 VanDerWaalsContact O-CB 3.3Å; V807-A811 WeakPolarHBondContact O-CB 3.42Å; V807-A811 PolarHBondContact O-N 3.07Å; V807-W815 HydrophobicContact CG1-CZ3 4.42Å
808	R	97.8	Very high	97.5	Very high	99 Å²	99	38.1 Å²	38.1	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-62.1	-39.4	172.9	-73.3	179.3	-165.2	112.3	-2.5	112.1	I144 K503 D804 R805 T806 A811 R812	I144-R808 HydrophobicContact CD1-CG 3.73Å; I144-R808 HydrophobicContact CG1-CG 4.47Å; I144-R808 HydrophobicContact CG2-CG 4.48Å; K503-R808 PolarHBondContact O-NH2 2.98Å; D804-R808 WeakPolarHBondContact O-CB 3.27Å; D804-R808 VanDerWaalsContact O-CG 3.24Å; D804-R808 WeakPolarHBondContact O-CG 3.45Å; D804-R808 PolarHBondContact O-N 3.21Å; R805-R808 PolarHBondContact O-N 2.91Å; T806-R808 PolarHBondContact O-N 3.04Å; R808-A811 PolarHBondContact O-N 3.31Å; R808-R812 WeakPolarHBondContact O-CB 3.21Å; R808-R812 PolarHBondContact O-N 2.92Å
809	E	97.8	Very high	97.3	Very high	51 Å²	51	40.9 Å²	40.9	24%	0.238	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-43.4	175.2	-69	170.8	166.1	0	0	111.6	K471 R805 T806 V807 D813	K471-E809 HydrophobicContact CD-CB 3.59Å; K471-E809 VanDerWaalsContact CE-C 3.43Å; K471-E809 VanDerWaalsContact CE-O 3.3Å; K471-E809 WeakPolarHBondContact CE-O 3.35Å; R805-E809 WeakPolarHBondContact CD-OE1 3.49Å; R805-E809 WeakPolarHBondContact CD-OE2 3.29Å; R805-E809 IonicContact CZ-OE2 2.94Å; R805-E809 IonicContact NE-OE2 3.93Å; R805-E809 IonicContact NH1-OE2 3.42Å; R805-E809 PolarHBondContact NH1-OE2 2.97Å; R805-E809 WeakPolarHBondContact O-CG 3.34Å; R805-E809 PolarHBondContact O-N 3.18Å; T806-E809 WeakPolarHBondContact O-CB 3.39Å; T806-E809 PolarHBondContact O-N 2.45Å; T806-E809 VanDerWaalsContact O-N 3.16Å; V807-E809 VanDerWaalsContact C-N 3.32Å; V807-E809 PolarHBondContact O-N 2.67Å; E809-D813 VanDerWaalsContact O-CB 3.25Å; E809-D813 WeakPolarHBondContact O-CB 3.5Å; E809-D813 VanDerWaalsContact O-CG 3.29Å; E809-D813 PolarHBondContact O-N 3.23Å
810	Y	98.4	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-47.9	172.8	-84.5	-82.6	0	0	0	111.6	F137 H325 T364 N442 K471 T806 V807 R812 I814 W815	F137-Y810 HydrophobicContact CE2-CD2 4.31Å; F137-Y810 AromaticContact CE2-CE2 3.76Å; F137-Y810 HydrophobicContact CE2-CE2 3.76Å; F137-Y810 HydrophobicContact CZ-CD2 4.46Å; F137-Y810 AromaticContact CZ-CE2 3.83Å; F137-Y810 HydrophobicContact CZ-CE2 3.83Å; H325-Y810 AromaticContact CE1-CE1 3.57Å; H325-Y810 AromaticContact NE2-CE1 3.85Å; T364-Y810 PolarHBondContact OG1-OH 2.94Å; T364-Y810 VanDerWaalsContact OG1-OH 3.08Å; N442-Y810 PolarHBondContact ND2-OH 3.28Å; N442-Y810 WeakPolarHBondContact OD1-CE1 3.49Å; K471-Y810 HydrophobicContact CB-CD2 4.08Å; K471-Y810 HydrophobicContact CB-CE1 4.12Å; K471-Y810 HydrophobicContact CB-CE2 3.39Å; K471-Y810 VanDerWaalsContact CB-CZ 3.42Å; K471-Y810 HydrophobicContact CD-CD2 4.12Å; K471-Y810 HydrophobicContact CD-CE2 4.29Å; K471-Y810 HydrophobicContact CD-CG 4.24Å; K471-Y810 HydrophobicContact CG-CD1 4.09Å; K471-Y810 HydrophobicContact CG-CD2 4.02Å; K471-Y810 HydrophobicContact CG-CE1 3.82Å; K471-Y810 HydrophobicContact CG-CE2 3.75Å; K471-Y810 HydrophobicContact CG-CG 4.18Å; T806-Y810 HydrophobicContact CG2-CD2 3.89Å; T806-Y810 HydrophobicContact CG2-CE2 3.61Å; T806-Y810 VanDerWaalsContact O-CD2 3.25Å; T806-Y810 WeakPolarHBondContact O-CD2 3.47Å; T806-Y810 PolarHBondContact O-N 2.7Å; V807-Y810 PolarHBondContact O-N 2.89Å; Y810-R812 PolarHBondContact O-N 2.94Å; Y810-I814 HydrophobicContact CD1-CB 4.49Å; Y810-I814 HydrophobicContact CD1-CD1 3.69Å; Y810-I814 HydrophobicContact CE1-CD1 3.91Å; Y810-I814 WeakPolarHBondContact O-CA 3.21Å; Y810-I814 WeakPolarHBondContact O-CB 3.42Å; Y810-I814 PolarHBondContact O-N 3.21Å; Y810-W815 AromaticContact CD1-CE2 3.98Å; Y810-W815 HydrophobicContact CD1-CH2 4.4Å; Y810-W815 AromaticContact CD1-CZ2 3.76Å; Y810-W815 HydrophobicContact CD1-CZ2 3.76Å; Y810-W815 HydrophobicContact CG-CH2 4.02Å; Y810-W815 AromaticContact CG-CZ2 3.86Å; Y810-W815 HydrophobicContact CG-CZ2 3.86Å; Y810-W815 PolarHBondContact O-N 2.94Å
811	A	98	Very high	96.7	Very high	7 Å²	7	46 Å²	46	6%	0.058	21%	0.212	C	C	.	.	I	π-helix	trans	-58.4	-45.8	-179.4	0	0	0	0	0	112.2	L146 V807 R808 W815 R816 V817	L146-A811 HydrophobicContact CD1-CB 3.79Å; L146-A811 HydrophobicContact CD2-CB 4.03Å; V807-A811 VanDerWaalsContact O-CB 3.3Å; V807-A811 WeakPolarHBondContact O-CB 3.42Å; V807-A811 PolarHBondContact O-N 3.07Å; R808-A811 PolarHBondContact O-N 3.31Å; A811-W815 HydrophobicContact CB-CE3 4.34Å; A811-R816 WeakPolarHBondContact O-CA 3.24Å; A811-R816 PolarHBondContact O-N 3.05Å; A811-V817 PolarHBondContact O-N 3.2Å
812	R	97.5	Very high	96	Very high	159 Å²	159	46.5 Å²	46.5	60%	0.6	22%	0.215	S	C	*	.	I	π-helix	trans	-74.5	-52.4	-179.8	-174.6	-172.1	66.4	-147.7	-10.3	113.1	R808 Y810	R808-R812 WeakPolarHBondContact O-CB 3.21Å; R808-R812 PolarHBondContact O-N 2.92Å; Y810-R812 PolarHBondContact O-N 2.94Å
813	D	96.7	Very high	94.9	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	25%	0.251	S	S	.	.	I	π-helix	trans	-88.1	-29.3	-165.3	-55	-25.1	0	0	0	112.9	K471 E809	K471-D813 IonicContact NZ-OD2 2.78Å; K471-D813 PolarHBondContact NZ-OD2 2.89Å; E809-D813 VanDerWaalsContact O-CB 3.25Å; E809-D813 WeakPolarHBondContact O-CB 3.5Å; E809-D813 VanDerWaalsContact O-CG 3.29Å; E809-D813 PolarHBondContact O-N 3.23Å
814	I	96.5	Very high	93.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	28%	0.282	C	S	.	.	I	π-helix	trans	-115.1	-61.2	-169.3	-65	178.1	0	0	0	110.7	T362 F440 N442 K471 Y810	T362-I814 HydrophobicContact CG2-CG2 3.58Å; F440-I814 HydrophobicContact CB-CG1 4.42Å; F440-I814 HydrophobicContact CB-CG2 3.92Å; F440-I814 HydrophobicContact CD2-CB 4.29Å; F440-I814 HydrophobicContact CD2-CG1 4.46Å; F440-I814 HydrophobicContact CD2-CG2 3.92Å; F440-I814 HydrophobicContact CG-CG1 4.28Å; F440-I814 HydrophobicContact CG-CG2 4.15Å; N442-I814 HydrophobicContact CB-CD1 4.3Å; K471-I814 HydrophobicContact CD-CD1 4.36Å; K471-I814 HydrophobicContact CG-CD1 3.84Å; Y810-I814 HydrophobicContact CD1-CB 4.49Å; Y810-I814 HydrophobicContact CD1-CD1 3.69Å; Y810-I814 HydrophobicContact CE1-CD1 3.91Å; Y810-I814 WeakPolarHBondContact O-CA 3.21Å; Y810-I814 WeakPolarHBondContact O-CB 3.42Å; Y810-I814 PolarHBondContact O-N 3.21Å
815	W	97.6	Very high	91.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-76.8	-31.1	-171.5	-61.9	-25.8	0	0	0	113.4	K74 V76 F78 M141 V323 H325 V807 Y810 A811 V817	K74-W815 PolarHBondContact NZ-O 2.91Å; V76-W815 HydrophobicContact CG1-CD2 4Å; V76-W815 HydrophobicContact CG1-CE3 4.01Å; V76-W815 HydrophobicContact CG1-CH2 4.21Å; V76-W815 HydrophobicContact CG1-CZ2 4.19Å; V76-W815 HydrophobicContact CG1-CZ3 4.11Å; V76-W815 HydrophobicContact CG2-CB 4.41Å; V76-W815 HydrophobicContact CG2-CD2 4.05Å; V76-W815 HydrophobicContact CG2-CE3 3.74Å; V76-W815 HydrophobicContact CG2-CG 4.34Å; V76-W815 HydrophobicContact CG2-CZ3 4.37Å; F78-W815 HydrophobicContact CD2-CZ2 4.4Å; M141-W815 HydrophobicContact SD-CH2 4.19Å; M141-W815 HydrophobicContact SD-CZ3 4.09Å; V323-W815 HydrophobicContact CG1-CB 3.89Å; V323-W815 HydrophobicContact CG1-CG 3.99Å; V323-W815 HydrophobicContact CG2-CG 4.43Å; H325-W815 HydrophobicContact CB-CZ2 4.34Å; H325-W815 AromaticContact CG-CZ2 3.97Å; H325-W815 AromaticContact CG-NE1 3.65Å; H325-W815 AromaticContact ND1-CE2 3.96Å; H325-W815 AromaticContact ND1-NE1 3.2Å; H325-W815 PolarHBondContact ND1-NE1 2.97Å; V807-W815 HydrophobicContact CG1-CZ3 4.42Å; Y810-W815 AromaticContact CD1-CE2 3.98Å; Y810-W815 HydrophobicContact CD1-CH2 4.4Å; Y810-W815 AromaticContact CD1-CZ2 3.76Å; Y810-W815 HydrophobicContact CD1-CZ2 3.76Å; Y810-W815 HydrophobicContact CG-CH2 4.02Å; Y810-W815 AromaticContact CG-CZ2 3.86Å; Y810-W815 HydrophobicContact CG-CZ2 3.86Å; Y810-W815 PolarHBondContact O-N 2.94Å; A811-W815 HydrophobicContact CB-CE3 4.34Å; W815-V817 HydrophobicContact CB-CB 4.41Å; W815-V817 HydrophobicContact CB-CG2 3.93Å
816	R	96.3	Very high	88.6	Confident	180 Å²	180	67.1 Å²	67.1	68%	0.679	32%	0.316	S	S	*	.			trans	55.9	54.5	-172.2	-54.4	-179.8	-177.8	-176.7	0.3	111.2	A811	A811-R816 WeakPolarHBondContact O-CA 3.24Å; A811-R816 PolarHBondContact O-N 3.05Å
817	V	96.8	Very high	85.8	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.024	35%	0.345	C	S	.	.			trans	-122.1	132.1	-178.5	177	0	0	0	0	109	K74 V76 L146 P147 V323 A811 W815	K74-V817 HydrophobicContact CB-CG2 4.09Å; K74-V817 HydrophobicContact CD-CG2 3.95Å; K74-V817 HydrophobicContact CG-CG2 3.9Å; K74-V817 WeakPolarHBondContact O-CG1 3.46Å; V76-V817 HydrophobicContact CG2-CB 4.17Å; V76-V817 HydrophobicContact CG2-CG1 4.22Å; V76-V817 HydrophobicContact CG2-CG2 3.8Å; L146-V817 HydrophobicContact CD2-CG1 4.14Å; P147-V817 HydrophobicContact CG-CG1 3.72Å; V323-V817 HydrophobicContact CG1-CG2 4.3Å; A811-V817 PolarHBondContact O-N 3.2Å; W815-V817 HydrophobicContact CB-CB 4.41Å; W815-V817 HydrophobicContact CB-CG2 3.93Å
818	E	94.9	Very high	82.5	Confident	141 Å²	141	82.8 Å²	82.8	66%	0.659	38%	0.381	S	S	*	.			trans	-100.2	148.9	178.9	-66.8	-60.6	150.3	0	0	111.5
819	P	94.9	Very high	79.3	Confident	60 Å²	60	83.8 Å²	83.8	39%	0.39	39%	0.393	S	S	.	.			trans	-67.2	148.8	174.2	-17.2	30.9	0	0	0	112.9	I144 G145 L146	I144-P819 HydrophobicContact CG2-CB 4.29Å; I144-P819 HydrophobicContact CG2-CG 3.79Å; I144-P819 WeakPolarHBondContact O-CB 3.4Å; G145-P819 WeakPolarHBondContact O-CA 3.43Å; L146-P819 HydrophobicContact CD2-CB 4.4Å; L146-P819 HydrophobicContact CD2-CG 3.97Å
820	I	93	Very high	76.2	Confident	36 Å²	36	89 Å²	89	19%	0.185	42%	0.422	C	S	.	.			trans	-118.9	130.5	171.3	-65	-174.3	0	0	0	110	L67 E71 P73 G145 V822	L67-I820 HydrophobicContact CD2-CG2 3.43Å; L67-I820 VanDerWaalsContact CD2-CG2 3.43Å; L67-I820 HydrophobicContact CG-CG2 4.04Å; E71-I820 HydrophobicContact CB-CD1 4.16Å; P73-I820 HydrophobicContact CB-CD1 3.55Å; P73-I820 HydrophobicContact CG-CD1 3.71Å; G145-I820 PolarHBondContact O-N 3.05Å; I820-V822 PolarHBondContact O-N 3.34Å
821	V	88	Confident	73.2	Confident	120 Å²	120	97.6 Å²	97.6	73%	0.727	46%	0.462	S	S	*	.			trans	-84.8	111.8	177.6	-178.1	0	0	0	0	110	K823	V821-K823 PolarHBondContact O-N 3.3Å
822	V	82	Confident	70.1	Confident	13 Å²	13	104 Å²	104	8%	0.079	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-74.6	117.5	166.8	-176.6	0	0	0	0	108.1	K63 T64 L67 Q231 I820	K63-V822 HydrophobicContact CB-CG1 4.35Å; T64-V822 HydrophobicContact CG2-CG2 4.42Å; L67-V822 HydrophobicContact CD2-CB 4.16Å; L67-V822 HydrophobicContact CD2-CG2 3.61Å; Q231-V822 HydrophobicContact CB-CB 3.76Å; Q231-V822 HydrophobicContact CB-CG1 3.64Å; Q231-V822 WeakPolarHBondContact CB-O 3.33Å; I820-V822 PolarHBondContact O-N 3.34Å
823	K	76	Confident	66.9	Low	179 Å²	179	103.6 Å²	103.6	78%	0.778	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-73.6	145	-178.3	-67.6	-179.1	-178.2	173.5	0	111.6	V821	V821-K823 PolarHBondContact O-N 3.3Å
824	E	66.4	Low	63.8	Low	140 Å²	140	109.8 Å²	109.8	65%	0.654	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-70.2	136.9	168	-74.8	-173.3	172.2	0	0	110.8	Q231	Q231-E824 HydrophobicContact CG-CB 4.5Å; Q231-E824 HydrophobicContact CG-CG 3.45Å; Q231-E824 VanDerWaalsContact CG-CG 3.45Å; Q231-E824 PolarHBondContact NE2-OE1 3.37Å
825	S	55.8	Low	60.7	Low	27 Å²	27	117.6 Å²	117.6	19%	0.189	57%	0.573	C	S	.	*	P	Polyproline II helix	trans	-70.9	132.5	164.9	44.6	0	0	0	0	108.9	E11 K63 K827	E11-S825 WeakPolarHBondContact OE1-CB 3.04Å; K63-S825 PolarHBondContact NZ-OG 3.18Å; S825-K827 PolarHBondContact O-N 3.09Å
826	I	40.8	Very low	57.6	Low	134 Å²	134	126.9 Å²	126.9	69%	0.687	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-57.1	120.7	-179.6	-60.6	170.7	0	0	0	109.1	Y828	I826-Y828 PolarHBondContact O-N 3.04Å
827	K	39.1	Very low	54.5	Low	138 Å²	138	127.7 Å²	127.7	60%	0.6	63%	0.625	S	S	*	*			trans	-64.8	105.7	171.6	-74	-178.3	179.8	176.3	0	109	S825 N829	S825-K827 PolarHBondContact O-N 3.09Å; K827-N829 PolarHBondContact O-N 2.86Å
828	Y	28.6	Very low	51.6	Low	191 Å²	191	137.7 Å²	137.7	75%	0.749	67%	0.668	S	S	*	*			trans	-77.4	107.1	164.8	-94.5	-86.2	0	0	0	109	I826 L830	I826-Y828 PolarHBondContact O-N 3.04Å; Y828-L830 PolarHBondContact O-N 3.18Å
829	N	29.8	Very low	48.7	Very low	120 Å²	120	136.2 Å²	136.2	64%	0.642	67%	0.673	S	S	*	*			trans	-63.5	115	165.6	-83.6	-9.1	0	0	0	108.8	K827 E831	K827-N829 PolarHBondContact O-N 2.86Å; N829-E831 PolarHBondContact O-N 3.46Å; N829-E831 VanDerWaalsContact O-N 3.09Å
830	L	33.6	Very low	46.1	Very low	160 Å²	160	138.8 Å²	138.8	84%	0.838	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-69.2	2.9	177.7	-92.7	156.5	0	0	0	114.1	Y828	Y828-L830 PolarHBondContact O-N 3.18Å
831	E	35.5	Very low	43.5	Very low	181 Å²	181	148.6 Å²	148.6	85%	0.846	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-89.5	-7	-177.3	-69.6	-172.8	157.2	0	0	115.1	N829	N829-E831 PolarHBondContact O-N 3.46Å; N829-E831 VanDerWaalsContact O-N 3.09Å
832	N	31.4	Very low	41.3	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-95.7	12.6	-178.5	-83.1	-19.8	0	0	0	116
833	N	31.7	Very low	39.2	Very low	151 Å²	151	157.3 Å²	157.3	81%	0.807	78%	0.782	S	S	*	*	S	Bend	trans	-107.2	18.4	-177.5	-90.6	-19.9	0	0	0	116
834	Q	31.7	Very low	37.1	Very low	189 Å²	189	156.1 Å²	156.1	88%	0.883	78%	0.782	S	S	*	*	S	Bend	trans	-112.3	6.4	174.4	-75.7	-163.2	-7.8	0	0	115.9
835	L	31.2	Very low	35.4	Very low	164 Å²	164	157 Å²	157	86%	0.859	79%	0.79	S	S	*	*	S	Bend	trans	-126.8	57.8	-178.8	-76.4	161.7	0	0	0	112
836	Q	31.4	Very low	34.1	Very low	195 Å²	195	165.1 Å²	165.1	91%	0.911	83%	0.827	S	S	*	*	S	Bend	trans	-160.5	21.7	167.1	-116.6	171.4	30.5	0	0	116.2
837	K	32.8	Very low	33.7	Very low	197 Å²	197	167.2 Å²	167.2	86%	0.857	84%	0.837	S	S	*	*			trans	-122.8	58	175.3	-78.9	-171.1	175.3	-178.4	0	112.5
838	F	35.8	Very low	33.3	Very low	214 Å²	214	169.3 Å²	169.3	94%	0.939	85%	0.854	S	S	*	*	S	Bend	trans	-159.3	77.1	162.4	-85.3	-71.6	0	0	0	109.7
839	S	33.5	Very low	33.7	Very low	110 Å²	110	167.6 Å²	167.6	77%	0.769	86%	0.862	S	S	*	*	S	Bend	trans	-178	137.9	156.5	50.6	0	0	0	0	109.7
840	S	39.6	Very low	34	Very low	115 Å²	115	171.6 Å²	171.6	80%	0.804	88%	0.88	S	S	*	*			trans	80	107.4	173.7	65.8	0	0	0	0	118.7
841	N	40.2	Very low	34	Very low	242 Å²	242	172.6 Å²	172.6	100%	1.294	88%	0.884	S	S	*	*			trans	74.7	0	165.4	-65.8	-5.7	0	0	0	119.5

Retrieved 841 of 841 residues in 268.8 ms (Link to these results)

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