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ATP-dependent 6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis. Negatively regulates the phagocyte oxidative burst in response to bacterial infection by controlling cellular NADPH biosynthesis and NADPH oxidase-derived reactive oxygen species. Upon macrophage activation, drives the metabolic switch toward glycolysis, thus preventing glucose turnover that produces NADPH via pentose phosphate pathway.

AlphaFold DB , UniProt , Accession A0A087X350, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 779 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	40.9	Very low	184 Å²	184	107.1 Å²	107.1	91%	0.906	55%	0.548	S	S	*	.				0	137.2	0	-73.5	175.2	-161.9	0	0	108	N757	M1-N757 PolarHBondContact SD-ND2 3.19Å
2	S	28.7	Very low	43	Very low	60 Å²	60	103.1 Å²	103.1	42%	0.42	53%	0.532	S	S	.	.			trans	-81.3	157	-171.8	71.8	0	0	0	0	111.4	M4 D5	S2-M4 PolarHBondContact O-N 3.45Å; S2-M4 VanDerWaalsContact O-N 3.08Å; S2-M4 WeakPolarHBondContact OG-CB 3.5Å; S2-D5 PolarHBondContact N-OD2 2.85Å; S2-D5 PolarHBondContact O-N 3.3Å; S2-D5 PolarHBondContact OG-OD2 3.48Å
3	S	33.3	Very low	44.7	Very low	103 Å²	103	95.2 Å²	95.2	72%	0.72	49%	0.491	S	S	*	.	H	α-helix	trans	-57.5	-21.4	174.5	63.3	0	0	0	0	113.3	L6 E7	S3-L6 PolarHBondContact O-N 3.27Å; S3-E7 PolarHBondContact O-N 3.46Å
4	M	28.9	Very low	47.2	Very low	129 Å²	129	90.9 Å²	90.9	64%	0.635	48%	0.477	S	S	*	.	H	α-helix	trans	-65.9	-31.2	174.7	-95.5	170.9	52.1	0	0	113.9	S2 K8	S2-M4 PolarHBondContact O-N 3.45Å; S2-M4 VanDerWaalsContact O-N 3.08Å; S2-M4 WeakPolarHBondContact OG-CB 3.5Å; M4-K8 PolarHBondContact O-N 2.93Å
5	D	39.1	Very low	49.4	Very low	73 Å²	73	90.7 Å²	90.7	39%	0.39	51%	0.505	S	S	.	.	H	α-helix	trans	-75.3	-29.6	178.3	-62.5	-46.2	0	0	0	111.2	S2	S2-D5 PolarHBondContact N-OD2 2.85Å; S2-D5 PolarHBondContact O-N 3.3Å; S2-D5 PolarHBondContact OG-OD2 3.48Å
6	L	38.4	Very low	51.9	Low	64 Å²	64	90.3 Å²	90.3	34%	0.335	49%	0.494	S	S	.	.	H	α-helix	trans	-71.6	-36.1	175.5	-116	90.6	0	0	0	112.9	S3 K10	S3-L6 PolarHBondContact O-N 3.27Å; L6-K10 PolarHBondContact O-N 2.93Å
7	E	43.6	Very low	54.4	Low	139 Å²	139	85.3 Å²	85.3	65%	0.65	47%	0.467	S	S	*	.	H	α-helix	trans	-73.6	-37.4	176.4	-83	-158.8	150.1	0	0	113	S3 L9 K10 M11	S3-E7 PolarHBondContact O-N 3.46Å; E7-L9 PolarHBondContact O-N 2.76Å; E7-K10 PolarHBondContact O-N 3.36Å; E7-M11 WeakPolarHBondContact O-CG 3.13Å; E7-M11 PolarHBondContact O-N 3.26Å
8	K	43.8	Very low	56.8	Low	152 Å²	152	80.6 Å²	80.6	66%	0.661	44%	0.442	S	S	*	.	H	α-helix	trans	-57.7	-33.7	173.4	-90.1	-179.2	175.1	176.4	0	112.4	M4	M4-K8 PolarHBondContact O-N 2.93Å
9	L	51.3	Low	58.9	Low	48 Å²	48	76.4 Å²	76.4	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-80.5	-35.2	-179	-92	157.7	0	0	0	114.4	E7 M11 T12 F758	E7-L9 PolarHBondContact O-N 2.76Å; L9-M11 PolarHBondContact O-N 3.44Å; L9-M11 VanDerWaalsContact O-N 3.15Å; L9-T12 HydrophobicContact CD2-CG2 4.37Å; L9-T12 PolarHBondContact O-N 2.76Å; L9-T12 PolarHBondContact O-OG1 2.84Å; L9-F758 HydrophobicContact CD1-CB 3.93Å; L9-F758 HydrophobicContact CD2-CB 3.49Å; L9-F758 VanDerWaalsContact CD2-CB 3.49Å; L9-F758 HydrophobicContact CD2-CD1 3.76Å; L9-F758 HydrophobicContact CD2-CG 3.86Å; L9-F758 HydrophobicContact CG-CB 4.25Å
10	K	50.7	Low	60.9	Low	101 Å²	101	72.6 Å²	72.6	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-14.9	170.5	-83.2	180	179.8	169	0	113.5	L6 E7 V44	L6-K10 PolarHBondContact O-N 2.93Å; E7-K10 PolarHBondContact O-N 3.36Å; K10-V44 CarbonylContact O-C 3.58Å
11	M	54.9	Low	62.7	Low	125 Å²	125	69.1 Å²	69.1	62%	0.616	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	6.3	-172.7	-66.3	-69.6	-74.2	0	0	113.8	E7 L9 G13 A14	E7-M11 WeakPolarHBondContact O-CG 3.13Å; E7-M11 PolarHBondContact O-N 3.26Å; L9-M11 PolarHBondContact O-N 3.44Å; L9-M11 VanDerWaalsContact O-N 3.15Å; M11-G13 VanDerWaalsContact C-N 3.28Å; M11-G13 PolarHBondContact O-N 3.16Å; M11-A14 HydrophobicContact CB-CB 4.04Å; M11-A14 HydrophobicContact CE-CB 3.48Å; M11-A14 VanDerWaalsContact CE-CB 3.48Å; M11-A14 HydrophobicContact CG-CB 4.43Å; M11-A14 WeakPolarHBondContact O-CB 3.45Å; M11-A14 PolarHBondContact O-N 2.93Å; M11-A14 VanDerWaalsContact O-N 3.09Å; M11-A14 HydrophobicContact SD-CB 3.55Å; M11-A14 VanDerWaalsContact SD-CB 3.55Å
12	T	65.2	Low	65.5	Low	59 Å²	59	60.4 Å²	60.4	36%	0.362	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34	178.6	53.8	0	0	0	0	112.5	L9	L9-T12 HydrophobicContact CD2-CG2 4.37Å; L9-T12 PolarHBondContact O-N 2.76Å; L9-T12 PolarHBondContact O-OG1 2.84Å
13	G	65.6	Low	68.6	Low	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.2	172.8	0	0	0	0	0	114.3	M11 G15 R16 V44 A46	M11-G13 VanDerWaalsContact C-N 3.28Å; M11-G13 PolarHBondContact O-N 3.16Å; G13-G15 PolarHBondContact O-N 3.35Å; G13-R16 VanDerWaalsContact O-CB 3.31Å; G13-R16 WeakPolarHBondContact O-CB 3.46Å; G13-R16 PolarHBondContact O-N 3.36Å; G13-V44 VanDerWaalsContact CA-O 3.27Å; G13-V44 WeakPolarHBondContact CA-O 3.22Å; G13-V44 PolarHBondContact N-O 3.49Å; G13-A46 WeakPolarHBondContact O-CA 3.44Å
14	A	79.1	Confident	71.4	Confident	35 Å²	35	54.8 Å²	54.8	29%	0.289	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	133.3	-176.1	0	0	0	0	0	111.3	M11 R16	M11-A14 HydrophobicContact CB-CB 4.04Å; M11-A14 HydrophobicContact CE-CB 3.48Å; M11-A14 VanDerWaalsContact CE-CB 3.48Å; M11-A14 HydrophobicContact CG-CB 4.43Å; M11-A14 WeakPolarHBondContact O-CB 3.45Å; M11-A14 PolarHBondContact O-N 2.93Å; M11-A14 VanDerWaalsContact O-N 3.09Å; M11-A14 HydrophobicContact SD-CB 3.55Å; M11-A14 VanDerWaalsContact SD-CB 3.55Å; A14-R16 PolarHBondContact O-N 3Å
15	G	80.9	Confident	74.2	Confident	88 Å²	88	50.6 Å²	50.6	91%	0.907	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-7.3	-174.5	0	0	0	0	0	114.7	G13	G13-G15 PolarHBondContact O-N 3.35Å
16	R	88.6	Confident	76.8	Confident	85 Å²	85	49.9 Å²	49.9	32%	0.321	29%	0.288	S	S	.	.			trans	-92.3	152.3	174	-54.2	-170.1	-177.1	-162.3	10.1	111.4	G13 A14 K47 I325	G13-R16 VanDerWaalsContact O-CB 3.31Å; G13-R16 WeakPolarHBondContact O-CB 3.46Å; G13-R16 PolarHBondContact O-N 3.36Å; A14-R16 PolarHBondContact O-N 3Å; R16-K47 PolarHBondContact O-N 3.44Å; R16-I325 VanDerWaalsContact CZ-O 3.28Å; R16-I325 PolarHBondContact NH1-O 3.29Å; R16-I325 PolarHBondContact NH2-O 3.23Å
17	A	95.1	Very high	79.5	Confident	5 Å²	5	46.9 Å²	46.9	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.1	168.7	0	0	0	0	0	111.5	K47 Y49 G109 I110 N112	A17-K47 CarbonylContact C-O 3.56Å; A17-K47 WeakPolarHBondContact CA-O 3.35Å; A17-K47 HydrophobicContact CB-CB 4.18Å; A17-Y49 HydrophobicContact CB-CD2 4.34Å; A17-Y49 HydrophobicContact CB-CE2 3.96Å; A17-G109 WeakPolarHBondContact CB-O 3.46Å; A17-I110 HydrophobicContact CB-CG1 4.15Å; A17-N112 WeakPolarHBondContact O-CB 3.35Å; A17-N112 PolarHBondContact O-N 3.33Å; A17-N112 PolarHBondContact O-ND2 2.81Å
18	I	97.1	Very high	82	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.4	178.4	-60	170.6	0	0	0	107.5	V37 A46 K47 V48 Y49 N112 V321 L324	I18-V37 HydrophobicContact CG2-CG1 4.33Å; I18-A46 HydrophobicContact CD1-CB 3.92Å; I18-A46 HydrophobicContact CG1-CB 4.27Å; I18-K47 PolarHBondContact N-O 2.9Å; I18-V48 CarbonylContact O-C 3.55Å; I18-V48 VanDerWaalsContact O-CA 3.24Å; I18-V48 WeakPolarHBondContact O-CA 3.32Å; I18-Y49 PolarHBondContact O-N 3.23Å; I18-N112 CarbonylContact C-O 3.58Å; I18-N112 WeakPolarHBondContact CA-O 3.44Å; I18-N112 HydrophobicContact CB-CB 4.46Å; I18-N112 HydrophobicContact CG1-CB 3.96Å; I18-V321 HydrophobicContact CD1-CG1 4.03Å; I18-L324 HydrophobicContact CG2-CD1 3.92Å
19	A	97.9	Very high	84.5	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.6	167.6	0	0	0	0	0	110.8	Y49 I51 I110 N112 L113 C114	A19-Y49 CarbonylContact C-O 3.55Å; A19-Y49 VanDerWaalsContact CA-O 3.29Å; A19-Y49 WeakPolarHBondContact CA-O 3.11Å; A19-I51 HydrophobicContact CB-CD1 3.6Å; A19-I51 HydrophobicContact CB-CG1 4.11Å; A19-I110 HydrophobicContact CB-CD1 4.1Å; A19-I110 HydrophobicContact CB-CG2 3.68Å; A19-N112 PolarHBondContact N-O 2.73Å; A19-L113 HydrophobicContact CB-CD1 4.01Å; A19-C114 PolarHBondContact O-N 3.07Å
20	V	98.2	Very high	86.7	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.4	174.3	61.5	0	0	0	0	110.1	V34 V37 Y49 L50 I51 C114	V20-V34 HydrophobicContact CG1-CG1 4.23Å; V20-V34 HydrophobicContact CG2-CG2 4.14Å; V20-V37 HydrophobicContact CB-CG1 4.04Å; V20-V37 HydrophobicContact CG2-CG1 4.34Å; V20-Y49 PolarHBondContact N-O 3.45Å; V20-L50 HydrophobicContact CG1-CD2 3.48Å; V20-L50 VanDerWaalsContact CG1-CD2 3.48Å; V20-I51 PolarHBondContact O-N 2.87Å; V20-C114 WeakPolarHBondContact CA-O 3.44Å; V20-C114 HydrophobicContact CB-CB 4.3Å; V20-C114 HydrophobicContact CG2-CB 4.25Å
21	L	97.7	Very high	89	Confident	0 Å²	0	26 Å²	26	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.6	174.9	77.2	80.9	0	0	0	110.6	I51 Y55 L58 L113 C114 V115 C116	L21-I51 HydrophobicContact CB-CB 3.74Å; L21-I51 HydrophobicContact CB-CD1 4.05Å; L21-I51 HydrophobicContact CB-CG1 4.47Å; L21-I51 HydrophobicContact CB-CG2 4.09Å; L21-I51 HydrophobicContact CD2-CD1 4.01Å; L21-Y55 HydrophobicContact CD2-CD1 4.32Å; L21-Y55 HydrophobicContact CD2-CE1 4.23Å; L21-L58 HydrophobicContact CD2-CD2 4.33Å; L21-L113 HydrophobicContact CD2-CD1 4.15Å; L21-C114 PolarHBondContact N-O 2.93Å; L21-C114 VanDerWaalsContact N-O 3.08Å; L21-V115 HydrophobicContact CD1-CG1 3.88Å; L21-V115 HydrophobicContact CD1-CG2 4.44Å; L21-V115 HydrophobicContact CD2-CG2 4.4Å; L21-V115 HydrophobicContact CG-CG1 4.48Å; L21-V115 HydrophobicContact CG-CG2 4.22Å; L21-C116 PolarHBondContact O-N 3.3Å
22	T	97.3	Very high	91	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.7	168.3	47.5	0	0	0	0	109.7	M30 V34 G54 T82 I84 G85 C116	T22-M30 HydrophobicContact CG2-CB 4.11Å; T22-M30 HydrophobicContact CG2-CG 4.38Å; T22-M30 HydrophobicContact CG2-SD 4.1Å; T22-V34 HydrophobicContact CG2-CG2 3.94Å; T22-G54 WeakPolarHBondContact O-CA 3.39Å; T22-T82 WeakPolarHBondContact OG1-CB 3.3Å; T22-T82 WeakPolarHBondContact OG1-CG2 3.36Å; T22-T82 PolarHBondContact OG1-OG1 2.95Å; T22-I84 HydrophobicContact CG2-CD1 4.14Å; T22-I84 HydrophobicContact CG2-CG1 4.28Å; T22-I84 VanDerWaalsContact OG1-CG1 3.26Å; T22-I84 WeakPolarHBondContact OG1-CG1 3.48Å; T22-G85 PolarHBondContact OG1-O 3.01Å; T22-C116 CarbonylContact C-O 3.57Å; T22-C116 VanDerWaalsContact CA-O 3.27Å; T22-C116 WeakPolarHBondContact CA-O 3.39Å; T22-C116 HydrophobicContact CG2-CB 4.08Å
23	S	94.4	Very high	92.6	Very high	9 Å²	9	17.3 Å²	17.3	6%	0.063	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.2	-176.8	173.5	0	0	0	0	112.1	Y55 S86 C116 G117 S121	S23-Y55 VanDerWaalsContact OG-CD2 3.3Å; S23-Y55 WeakPolarHBondContact OG-CD2 3.32Å; S23-S86 WeakPolarHBondContact CA-OG 3.45Å; S23-C116 PolarHBondContact N-O 3.47Å; S23-G117 WeakPolarHBondContact O-CA 3.45Å; S23-S121 VanDerWaalsContact CB-OG 3.28Å; S23-S121 WeakPolarHBondContact CB-OG 3.39Å; S23-S121 PolarHBondContact O-OG 2.72Å; S23-S121 PolarHBondContact OG-OG 3.38Å
24	G	90.7	Very high	94.1	Very high	36 Å²	36	17.3 Å²	17.3	37%	0.371	13%	0.131	S	C	.	.	S	Bend	trans	99.5	-161.2	-177.2	0	0	0	0	0	111.9	S86	G24-S86 PolarHBondContact N-OG 3.21Å; G24-S86 PolarHBondContact O-OG 2.77Å
25	G	89.6	Confident	95	Very high	41 Å²	41	16.1 Å²	16.1	42%	0.423	12%	0.119	S	C	.	.	S	Bend	trans	-65.8	136.5	172.8	0	0	0	0	0	110.1	M30	G25-M30 WeakPolarHBondContact O-CE 3.36Å
26	D	92.4	Very high	95.8	Very high	59 Å²	59	11.9 Å²	11.9	32%	0.316	8%	0.076	S	C	.	.			trans	-68.2	154.7	177.1	67.2	-44.6	0	0	0	111.3	M30 G81 R301	D26-M30 HydrophobicContact CB-SD 4.43Å; D26-G81 WeakPolarHBondContact OD2-CA 2.95Å; D26-R301 PolarHBondContact O-NH1 2.85Å; D26-R301 VanDerWaalsContact O-NH1 3.16Å
27	A	94.9	Very high	96.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	6%	0.061	C	C	.	.			trans	-144.8	142	177.9	0	0	0	0	0	109.2	G29 M30 I165 I176	A27-G29 PolarHBondContact O-N 3.44Å; A27-M30 HydrophobicContact CB-CE 4.07Å; A27-M30 VanDerWaalsContact O-CG 3.32Å; A27-M30 WeakPolarHBondContact O-CG 3.26Å; A27-M30 PolarHBondContact O-N 3.49Å; A27-I165 HydrophobicContact CB-CG2 4.1Å; A27-I176 VanDerWaalsContact CB-O 3.3Å; A27-I176 WeakPolarHBondContact CB-O 3.45Å
28	Q	96.4	Very high	96.4	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	125.8	-179.1	-51.7	90.3	-40	0	0	109.2	G177 Q300 R301 G302 P305	Q28-G177 WeakPolarHBondContact O-CA 3.22Å; Q28-G177 PolarHBondContact O-N 2.93Å; Q28-Q300 PolarHBondContact NE2-O 3.25Å; Q28-R301 VanDerWaalsContact CD-C 3.5Å; Q28-R301 WeakPolarHBondContact CG-O 3.34Å; Q28-R301 PolarHBondContact NE2-O 3.48Å; Q28-R301 PolarHBondContact OE1-O 3.18Å; Q28-G302 PolarHBondContact NE2-O 3.15Å; Q28-P305 HydrophobicContact CB-CB 3.89Å
29	G	96.6	Very high	96.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	114	-16.7	-176.2	0	0	0	0	0	114	A27 N31 A32 A33 S313	A27-G29 PolarHBondContact O-N 3.44Å; G29-N31 PolarHBondContact O-N 3.19Å; G29-A32 WeakPolarHBondContact O-CA 3.43Å; G29-A32 WeakPolarHBondContact O-CB 3.36Å; G29-A32 PolarHBondContact O-N 3.44Å; G29-A33 PolarHBondContact O-N 3.17Å; G29-S313 WeakPolarHBondContact O-CB 3.45Å; G29-S313 PolarHBondContact O-OG 3.03Å; G29-S313 VanDerWaalsContact O-OG 3.12Å
30	M	97.8	Very high	96.2	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-53.4	-39.7	173.5	-74.2	-176	173	0	0	112.5	T22 G25 D26 A27 A32 A33 V34	T22-M30 HydrophobicContact CG2-CB 4.11Å; T22-M30 HydrophobicContact CG2-CG 4.38Å; T22-M30 HydrophobicContact CG2-SD 4.1Å; G25-M30 WeakPolarHBondContact O-CE 3.36Å; D26-M30 HydrophobicContact CB-SD 4.43Å; A27-M30 HydrophobicContact CB-CE 4.07Å; A27-M30 VanDerWaalsContact O-CG 3.32Å; A27-M30 WeakPolarHBondContact O-CG 3.26Å; A27-M30 PolarHBondContact O-N 3.49Å; M30-A32 VanDerWaalsContact C-N 3.32Å; M30-A32 PolarHBondContact O-N 3.22Å; M30-A33 WeakPolarHBondContact O-CB 3.35Å; M30-A33 PolarHBondContact O-N 3.45Å; M30-V34 WeakPolarHBondContact O-CG2 3.47Å; M30-V34 PolarHBondContact O-N 3.04Å
31	N	98	Very high	96	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-35.3	174.8	-69.1	-38.8	0	0	0	113.7	G29 R35 I76 L79 G80 G81 T82 V83	G29-N31 PolarHBondContact O-N 3.19Å; N31-R35 VanDerWaalsContact O-CB 3.25Å; N31-R35 WeakPolarHBondContact O-CB 3.38Å; N31-R35 PolarHBondContact O-N 2.98Å; N31-I76 HydrophobicContact CB-CB 4.24Å; N31-I76 HydrophobicContact CB-CD1 4.31Å; N31-I76 HydrophobicContact CB-CG1 4.2Å; N31-I76 WeakPolarHBondContact CB-O 3.27Å; N31-I76 WeakPolarHBondContact O-CD1 3.38Å; N31-L79 PolarHBondContact ND2-O 3.47Å; N31-G80 PolarHBondContact ND2-O 3.31Å; N31-G81 PolarHBondContact ND2-O 3.23Å; N31-G81 VanDerWaalsContact ND2-O 3.1Å; N31-T82 WeakPolarHBondContact OD1-CA 3.35Å; N31-V83 WeakPolarHBondContact OD1-CG1 3.47Å; N31-V83 WeakPolarHBondContact OD1-CG2 3.03Å; N31-V83 PolarHBondContact OD1-N 2.76Å
32	A	97.8	Very high	95.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.5	-38.2	175.5	0	0	0	0	0	111	G29 M30 R35 A36 I77	G29-A32 WeakPolarHBondContact O-CA 3.43Å; G29-A32 WeakPolarHBondContact O-CB 3.36Å; G29-A32 PolarHBondContact O-N 3.44Å; M30-A32 VanDerWaalsContact C-N 3.32Å; M30-A32 PolarHBondContact O-N 3.22Å; A32-R35 PolarHBondContact O-N 3.2Å; A32-A36 WeakPolarHBondContact O-CB 3.35Å; A32-A36 PolarHBondContact O-N 3.48Å; A32-I77 HydrophobicContact CB-CG1 3.86Å
33	A	97.9	Very high	95.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.3	-50.7	173.3	0	0	0	0	0	111.7	G29 M30 R35 A36 V37 L161 I176	G29-A33 PolarHBondContact O-N 3.17Å; M30-A33 WeakPolarHBondContact O-CB 3.35Å; M30-A33 PolarHBondContact O-N 3.45Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 3.44Å; A33-A36 PolarHBondContact O-N 3.28Å; A33-A36 VanDerWaalsContact O-N 3.11Å; A33-V37 WeakPolarHBondContact O-CG2 3.23Å; A33-V37 PolarHBondContact O-N 3.13Å; A33-L161 HydrophobicContact CB-CD1 3.91Å; A33-I176 HydrophobicContact CB-CD1 4.26Å
34	V	98.3	Very high	95.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-43	176.2	171.7	0	0	0	0	111	V20 T22 M30 T38 L50 V73 I76 I84	V20-V34 HydrophobicContact CG1-CG1 4.23Å; V20-V34 HydrophobicContact CG2-CG2 4.14Å; T22-V34 HydrophobicContact CG2-CG2 3.94Å; M30-V34 WeakPolarHBondContact O-CG2 3.47Å; M30-V34 PolarHBondContact O-N 3.04Å; V34-T38 VanDerWaalsContact O-CB 3.27Å; V34-T38 WeakPolarHBondContact O-CB 3.19Å; V34-T38 PolarHBondContact O-N 3.3Å; V34-T38 PolarHBondContact O-OG1 3.37Å; V34-L50 HydrophobicContact CG1-CD2 3.94Å; V34-V73 HydrophobicContact CG1-CG1 4.24Å; V34-I76 HydrophobicContact CG1-CD1 4.44Å; V34-I84 HydrophobicContact CG1-CD1 4.41Å; V34-I84 HydrophobicContact CG2-CD1 3.86Å; V34-I84 HydrophobicContact CG2-CG1 4.48Å
35	R	98.1	Very high	95.3	Very high	10 Å²	10	12.4 Å²	12.4	4%	0.038	8%	0.079	C	C	.	.	H	α-helix	trans	-60.2	-47.9	175.4	175.9	-177.1	169.7	-83.9	1.2	111.9	N31 A32 A33 T38 R39 V73 I76	N31-R35 VanDerWaalsContact O-CB 3.25Å; N31-R35 WeakPolarHBondContact O-CB 3.38Å; N31-R35 PolarHBondContact O-N 2.98Å; A32-R35 PolarHBondContact O-N 3.2Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 3.44Å; R35-T38 PolarHBondContact O-N 2.93Å; R35-R39 HydrophobicContact CG-CG 4.47Å; R35-R39 WeakPolarHBondContact O-CB 3.42Å; R35-R39 WeakPolarHBondContact O-CG 3.39Å; R35-R39 PolarHBondContact O-N 3.28Å; R35-V73 HydrophobicContact CB-CB 4.18Å; R35-V73 HydrophobicContact CB-CG2 4.46Å; R35-V73 HydrophobicContact CG-CB 4.29Å; R35-V73 HydrophobicContact CG-CG2 4.15Å; R35-I76 HydrophobicContact CB-CD1 4.08Å; R35-I76 HydrophobicContact CB-CG1 4.07Å
36	A	97.5	Very high	95.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.4	-48.2	-177.4	0	0	0	0	0	111.7	A32 A33 T38 R39 M40 T314 V318	A32-A36 WeakPolarHBondContact O-CB 3.35Å; A32-A36 PolarHBondContact O-N 3.48Å; A33-A36 PolarHBondContact O-N 3.28Å; A33-A36 VanDerWaalsContact O-N 3.11Å; A36-T38 VanDerWaalsContact C-N 3.29Å; A36-T38 PolarHBondContact O-N 3.47Å; A36-R39 PolarHBondContact O-N 3.43Å; A36-M40 WeakPolarHBondContact O-CB 3.05Å; A36-M40 PolarHBondContact O-N 2.9Å; A36-T314 HydrophobicContact CB-CG2 4.25Å; A36-T314 WeakPolarHBondContact CB-O 3.28Å; A36-V318 HydrophobicContact CB-CG2 4.44Å
37	V	97.8	Very high	95.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.2	-44.7	175.8	174.1	0	0	0	0	110.8	I18 V20 A33 G41 C114 L161 G317 A320 V321	I18-V37 HydrophobicContact CG2-CG1 4.33Å; V20-V37 HydrophobicContact CB-CG1 4.04Å; V20-V37 HydrophobicContact CG2-CG1 4.34Å; A33-V37 WeakPolarHBondContact O-CG2 3.23Å; A33-V37 PolarHBondContact O-N 3.13Å; V37-G41 PolarHBondContact O-N 3.4Å; V37-C114 HydrophobicContact CG1-CB 4.21Å; V37-L161 HydrophobicContact CG2-CD1 4.25Å; V37-G317 WeakPolarHBondContact CG2-O 3.22Å; V37-A320 HydrophobicContact CG2-CB 4.5Å; V37-V321 HydrophobicContact CB-CG2 4.21Å; V37-V321 HydrophobicContact CG1-CG2 3.87Å; V37-V321 WeakPolarHBondContact O-CG2 3.28Å
38	T	97.8	Very high	95.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-49.3	-179.4	-57.3	0	0	0	0	112.5	V34 R35 A36 I42 V48 A68 V73	V34-T38 VanDerWaalsContact O-CB 3.27Å; V34-T38 WeakPolarHBondContact O-CB 3.19Å; V34-T38 PolarHBondContact O-N 3.3Å; V34-T38 PolarHBondContact O-OG1 3.37Å; R35-T38 PolarHBondContact O-N 2.93Å; A36-T38 VanDerWaalsContact C-N 3.29Å; A36-T38 PolarHBondContact O-N 3.47Å; T38-I42 HydrophobicContact CG2-CD1 3.91Å; T38-I42 VanDerWaalsContact O-CG1 3.26Å; T38-I42 WeakPolarHBondContact O-CG1 3.41Å; T38-I42 PolarHBondContact O-N 3.14Å; T38-V48 HydrophobicContact CG2-CG1 4.31Å; T38-A68 HydrophobicContact CG2-CB 3.64Å; T38-V73 HydrophobicContact CG2-CB 4.5Å; T38-V73 HydrophobicContact CG2-CG1 3.84Å; T38-V73 HydrophobicContact CG2-CG2 3.82Å
39	R	95.9	Very high	95.9	Very high	15 Å²	15	15.4 Å²	15.4	6%	0.057	8%	0.078	C	C	.	.	H	α-helix	trans	-66.8	-43	-178.9	-74.4	-168.6	173.5	-159.7	-3.6	111.7	R35 A36 I42 Y43 W70 V73 T74 L751	R35-R39 HydrophobicContact CG-CG 4.47Å; R35-R39 WeakPolarHBondContact O-CB 3.42Å; R35-R39 WeakPolarHBondContact O-CG 3.39Å; R35-R39 PolarHBondContact O-N 3.28Å; A36-R39 PolarHBondContact O-N 3.43Å; R39-I42 PolarHBondContact O-N 2.93Å; R39-Y43 VanDerWaalsContact O-CB 3.3Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 3.41Å; R39-W70 HydrophobicContact CB-CE3 4.27Å; R39-W70 HydrophobicContact CB-CH2 3.89Å; R39-W70 HydrophobicContact CB-CZ3 3.75Å; R39-W70 HydrophobicContact CG-CD2 4.25Å; R39-W70 HydrophobicContact CG-CE3 4.08Å; R39-W70 HydrophobicContact CG-CH2 4.01Å; R39-W70 HydrophobicContact CG-CZ2 4.17Å; R39-W70 HydrophobicContact CG-CZ3 3.97Å; R39-W70 WeakPolarHBondContact O-CZ3 3.03Å; R39-V73 HydrophobicContact CG-CG2 3.92Å; R39-T74 PolarHBondContact NH2-OG1 3.48Å; R39-L751 HydrophobicContact CB-CD2 3.72Å; R39-L751 WeakPolarHBondContact CD-O 3.47Å; R39-L751 PolarHBondContact NH1-O 2.86Å
40	M	95	Very high	96	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-66.6	-43.3	179.1	-172.8	58.3	-166.4	0	0	111.5	A36 I42 Y43 V44 V318 V321 I322 M750 L751 F758	A36-M40 WeakPolarHBondContact O-CB 3.05Å; A36-M40 PolarHBondContact O-N 2.9Å; M40-I42 VanDerWaalsContact C-N 3.34Å; M40-I42 PolarHBondContact O-N 3.5Å; M40-Y43 WeakPolarHBondContact O-CB 3.39Å; M40-Y43 PolarHBondContact O-N 3.32Å; M40-Y43 VanDerWaalsContact O-N 3.13Å; M40-Y43 HydrophobicContact SD-CD1 4.3Å; M40-V44 HydrophobicContact CE-CG1 3.47Å; M40-V44 VanDerWaalsContact CE-CG1 3.47Å; M40-V44 VanDerWaalsContact O-CG2 3.28Å; M40-V44 WeakPolarHBondContact O-CG2 3.13Å; M40-V44 PolarHBondContact O-N 2.89Å; M40-V44 VanDerWaalsContact O-N 3.11Å; M40-V44 HydrophobicContact SD-CG1 4.41Å; M40-V318 HydrophobicContact CB-CG2 4.33Å; M40-V318 HydrophobicContact CG-CB 4.47Å; M40-V318 HydrophobicContact CG-CG1 4.13Å; M40-V318 HydrophobicContact CG-CG2 4.44Å; M40-V318 HydrophobicContact SD-CG1 4.21Å; M40-V321 HydrophobicContact CB-CB 4.18Å; M40-V321 HydrophobicContact CB-CG1 4.33Å; M40-V321 HydrophobicContact CB-CG2 4.07Å; M40-V321 HydrophobicContact CG-CB 3.82Å; M40-V321 HydrophobicContact CG-CG1 3.83Å; M40-V321 HydrophobicContact CG-CG2 4.28Å; M40-I322 HydrophobicContact CE-CD1 4.39Å; M40-I322 HydrophobicContact CE-CG1 4.14Å; M40-M750 HydrophobicContact CE-SD 4.13Å; M40-M750 HydrophobicContact SD-SD 4.16Å; M40-L751 HydrophobicContact CB-CD2 4.47Å; M40-F758 HydrophobicContact CE-CD2 4.23Å; M40-F758 HydrophobicContact CE-CE2 3.31Å; M40-F758 HydrophobicContact CE-CZ 3.91Å
41	G	94.8	Very high	96	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.7	-39.9	175.8	0	0	0	0	0	113.1	V37 V44 G45 A46	V37-G41 PolarHBondContact O-N 3.4Å; G41-V44 VanDerWaalsContact O-CG2 3.32Å; G41-V44 WeakPolarHBondContact O-CG2 3.39Å; G41-G45 PolarHBondContact O-N 2.86Å; G41-A46 WeakPolarHBondContact O-CA 3.5Å; G41-A46 WeakPolarHBondContact O-CB 3.4Å; G41-A46 PolarHBondContact O-N 2.98Å
42	I	94	Very high	96	Very high	46 Å²	46	17.8 Å²	17.8	24%	0.236	9%	0.09	C	C	.	.	H	α-helix	trans	-69	-38.9	174	-66.9	168.2	0	0	0	111.1	T38 R39 M40 V44 G45 V48 W70	T38-I42 HydrophobicContact CG2-CD1 3.91Å; T38-I42 VanDerWaalsContact O-CG1 3.26Å; T38-I42 WeakPolarHBondContact O-CG1 3.41Å; T38-I42 PolarHBondContact O-N 3.14Å; R39-I42 PolarHBondContact O-N 2.93Å; M40-I42 VanDerWaalsContact C-N 3.34Å; M40-I42 PolarHBondContact O-N 3.5Å; I42-V44 VanDerWaalsContact C-N 3.31Å; I42-V44 PolarHBondContact O-N 3.1Å; I42-G45 PolarHBondContact O-N 3.41Å; I42-G45 VanDerWaalsContact O-N 3.12Å; I42-V48 HydrophobicContact CG1-CG2 4.11Å; I42-W70 HydrophobicContact CB-CE3 4.35Å; I42-W70 HydrophobicContact CG2-CE3 4.1Å
43	Y	91.2	Very high	95.9	Very high	45 Å²	45	21.6 Å²	21.6	18%	0.176	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-39.4	-178.4	-178.2	-95.4	0	0	0	112.3	R39 M40 G45 M750 Y754 T756	R39-Y43 VanDerWaalsContact O-CB 3.3Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 3.41Å; M40-Y43 WeakPolarHBondContact O-CB 3.39Å; M40-Y43 PolarHBondContact O-N 3.32Å; M40-Y43 VanDerWaalsContact O-N 3.13Å; M40-Y43 HydrophobicContact SD-CD1 4.3Å; Y43-G45 VanDerWaalsContact C-N 3.29Å; Y43-G45 PolarHBondContact O-N 2.9Å; Y43-M750 HydrophobicContact CD1-CB 4.33Å; Y43-M750 HydrophobicContact CD1-CG 4.26Å; Y43-M750 HydrophobicContact CD1-SD 4.41Å; Y43-M750 WeakPolarHBondContact CD2-O 3.34Å; Y43-M750 HydrophobicContact CE1-CB 4.2Å; Y43-M750 HydrophobicContact CE1-CG 3.7Å; Y43-M750 HydrophobicContact CE1-SD 4Å; Y43-M750 HydrophobicContact CE2-CB 4.4Å; Y43-M750 HydrophobicContact CE2-CG 4.44Å; Y43-Y754 WeakPolarHBondContact CE2-O 3.44Å; Y43-Y754 PolarHBondContact OH-O 3.49Å; Y43-T756 PolarHBondContact OH-N 3.08Å; Y43-T756 PolarHBondContact OH-O 2.9Å
44	V	89.6	Confident	95.8	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.036	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	9.1	177.3	-58.3	0	0	0	0	114.2	K10 G13 M40 G41 I42 V321 I325	K10-V44 CarbonylContact O-C 3.58Å; G13-V44 VanDerWaalsContact CA-O 3.27Å; G13-V44 WeakPolarHBondContact CA-O 3.22Å; G13-V44 PolarHBondContact N-O 3.49Å; M40-V44 HydrophobicContact CE-CG1 3.47Å; M40-V44 VanDerWaalsContact CE-CG1 3.47Å; M40-V44 VanDerWaalsContact O-CG2 3.28Å; M40-V44 WeakPolarHBondContact O-CG2 3.13Å; M40-V44 PolarHBondContact O-N 2.89Å; M40-V44 VanDerWaalsContact O-N 3.11Å; M40-V44 HydrophobicContact SD-CG1 4.41Å; G41-V44 VanDerWaalsContact O-CG2 3.32Å; G41-V44 WeakPolarHBondContact O-CG2 3.39Å; I42-V44 VanDerWaalsContact C-N 3.31Å; I42-V44 PolarHBondContact O-N 3.1Å; V44-V321 HydrophobicContact CG2-CG1 4.08Å; V44-I325 HydrophobicContact CB-CD1 3.96Å; V44-I325 HydrophobicContact CG1-CD1 4.37Å; V44-I325 HydrophobicContact CG2-CD1 3.25Å
45	G	89.9	Confident	95.7	Very high	35 Å²	35	22.3 Å²	22.3	36%	0.361	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	6	172.8	0	0	0	0	0	116.2	G41 I42 Y43	G41-G45 PolarHBondContact O-N 2.86Å; I42-G45 PolarHBondContact O-N 3.41Å; I42-G45 VanDerWaalsContact O-N 3.12Å; Y43-G45 VanDerWaalsContact C-N 3.29Å; Y43-G45 PolarHBondContact O-N 2.9Å
46	A	93.3	Very high	95.7	Very high	7 Å²	7	24.2 Å²	24.2	6%	0.058	12%	0.12	C	C	.	.			trans	-78.3	151.7	176.6	0	0	0	0	0	112.2	G13 I18 G41	G13-A46 WeakPolarHBondContact O-CA 3.44Å; I18-A46 HydrophobicContact CD1-CB 3.92Å; I18-A46 HydrophobicContact CG1-CB 4.27Å; G41-A46 WeakPolarHBondContact O-CA 3.5Å; G41-A46 WeakPolarHBondContact O-CB 3.4Å; G41-A46 PolarHBondContact O-N 2.98Å
47	K	96.3	Very high	95.6	Very high	134 Å²	134	24.2 Å²	24.2	58%	0.583	12%	0.12	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.4	167	-68.7	179.9	-177.9	175	0	108.7	R16 A17 I18 Y49 L67	R16-K47 PolarHBondContact O-N 3.44Å; A17-K47 CarbonylContact C-O 3.56Å; A17-K47 WeakPolarHBondContact CA-O 3.35Å; A17-K47 HydrophobicContact CB-CB 4.18Å; I18-K47 PolarHBondContact N-O 2.9Å; K47-Y49 HydrophobicContact CB-CE2 4.24Å; K47-L67 HydrophobicContact CB-CD1 4.19Å
48	V	97.8	Very high	95.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.7	178.3	-173.3	0	0	0	0	110.8	I18 T38 I42 L67 A68	I18-V48 CarbonylContact O-C 3.55Å; I18-V48 VanDerWaalsContact O-CA 3.24Å; I18-V48 WeakPolarHBondContact O-CA 3.32Å; T38-V48 HydrophobicContact CG2-CG1 4.31Å; I42-V48 HydrophobicContact CG1-CG2 4.11Å; V48-L67 WeakPolarHBondContact O-CD1 3.4Å; V48-A68 HydrophobicContact CB-CB 4.23Å; V48-A68 HydrophobicContact CG1-CB 4.35Å; V48-A68 WeakPolarHBondContact O-CB 3.43Å; V48-A68 PolarHBondContact O-N 2.93Å
49	Y	98.4	Very high	95.5	Very high	21 Å²	21	25.1 Å²	25.1	8%	0.082	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.2	174.6	-67.2	-93.1	0	0	0	111.3	A17 I18 A19 V20 K47 I65 K66 L67 K108 I110	A17-Y49 HydrophobicContact CB-CD2 4.34Å; A17-Y49 HydrophobicContact CB-CE2 3.96Å; I18-Y49 PolarHBondContact O-N 3.23Å; A19-Y49 CarbonylContact C-O 3.55Å; A19-Y49 VanDerWaalsContact CA-O 3.29Å; A19-Y49 WeakPolarHBondContact CA-O 3.11Å; V20-Y49 PolarHBondContact N-O 3.45Å; K47-Y49 HydrophobicContact CB-CE2 4.24Å; Y49-I65 HydrophobicContact CD1-CG2 4.02Å; Y49-I65 HydrophobicContact CG-CG2 4.29Å; Y49-K66 CarbonylContact C-O 3.59Å; Y49-K66 WeakPolarHBondContact CA-O 2.84Å; Y49-L67 HydrophobicContact CD1-CB 4.19Å; Y49-L67 HydrophobicContact CD1-CD1 4.28Å; Y49-L67 HydrophobicContact CD2-CD1 4.48Å; Y49-L67 HydrophobicContact CE1-CB 3.95Å; Y49-L67 HydrophobicContact CE1-CD1 3.88Å; Y49-L67 HydrophobicContact CE2-CD1 4.12Å; Y49-K108 HydrophobicContact CE1-CB 4.38Å; Y49-K108 HydrophobicContact CE1-CD 4.08Å; Y49-K108 PolarHBondContact OH-O 2.92Å; Y49-I110 HydrophobicContact CD1-CD1 4.44Å; Y49-I110 HydrophobicContact CD2-CD1 3.72Å; Y49-I110 HydrophobicContact CD2-CG1 3.66Å; Y49-I110 HydrophobicContact CE2-CD1 4.19Å; Y49-I110 HydrophobicContact CE2-CG1 3.87Å; Y49-I110 HydrophobicContact CG-CD1 3.84Å; Y49-I110 HydrophobicContact CG-CG1 4.3Å
50	L	98.3	Very high	95.5	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.073	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.8	169.3	-56.8	-176.4	0	0	0	108.5	V20 V34 K66 A68 V73 I84	V20-L50 HydrophobicContact CG1-CD2 3.48Å; V20-L50 VanDerWaalsContact CG1-CD2 3.48Å; V34-L50 HydrophobicContact CG1-CD2 3.94Å; L50-K66 PolarHBondContact N-O 2.94Å; L50-K66 PolarHBondContact O-N 3.32Å; L50-A68 HydrophobicContact CD1-CB 4.42Å; L50-A68 HydrophobicContact CD2-CB 4.27Å; L50-A68 HydrophobicContact CG-CB 3.93Å; L50-V73 HydrophobicContact CD1-CG1 4.48Å; L50-I84 HydrophobicContact CB-CG2 4.11Å; L50-I84 HydrophobicContact CD1-CG2 4.1Å; L50-I84 HydrophobicContact CG-CG2 4.47Å
51	I	98.1	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.8	173.9	-60.2	161.4	0	0	0	107.9	A19 V20 L21 G54 L58 N64 I65 L113	A19-I51 HydrophobicContact CB-CD1 3.6Å; A19-I51 HydrophobicContact CB-CG1 4.11Å; V20-I51 PolarHBondContact O-N 2.87Å; L21-I51 HydrophobicContact CB-CB 3.74Å; L21-I51 HydrophobicContact CB-CD1 4.05Å; L21-I51 HydrophobicContact CB-CG1 4.47Å; L21-I51 HydrophobicContact CB-CG2 4.09Å; L21-I51 HydrophobicContact CD2-CD1 4.01Å; I51-G54 WeakPolarHBondContact CG2-O 3.36Å; I51-L58 HydrophobicContact CD1-CD1 3.92Å; I51-L58 HydrophobicContact CG2-CB 4.04Å; I51-N64 CarbonylContact C-O 3.55Å; I51-N64 WeakPolarHBondContact CA-O 3.46Å; I51-I65 HydrophobicContact CG1-CG1 4.34Å; I51-I65 HydrophobicContact CG1-CG2 4.36Å; I51-L113 HydrophobicContact CD1-CD1 3.74Å
52	H	97.5	Very high	95.4	Very high	39 Å²	39	31 Å²	31	18%	0.181	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	152.6	178.7	-72	-90.1	0	0	0	111.9	G54 G57 N64 I84	H52-G54 PolarHBondContact O-N 2.83Å; H52-G54 VanDerWaalsContact O-N 3.12Å; H52-G57 WeakPolarHBondContact O-CA 3.37Å; H52-G57 PolarHBondContact O-N 2.81Å; H52-N64 HydrophobicContact CB-CB 4.45Å; H52-N64 PolarHBondContact N-O 3.47Å; H52-I84 CarbonylContact C-O 3.59Å; H52-I84 WeakPolarHBondContact CA-O 3.27Å
53	E	96.4	Very high	95.3	Very high	80 Å²	80	36 Å²	36	37%	0.374	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	27.9	175.6	-51.9	-48.2	131.2	0	0	114.7	Q56 I84 A87	E53-Q56 HydrophobicContact CB-CB 4.43Å; E53-Q56 WeakPolarHBondContact O-CB 3.26Å; E53-Q56 PolarHBondContact O-N 3.2Å; E53-I84 PolarHBondContact N-O 3.39Å; E53-A87 HydrophobicContact CB-CB 4.01Å; E53-A87 WeakPolarHBondContact O-CB 3.39Å; E53-A87 PolarHBondContact O-N 3.01Å
54	G	95.9	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-134.8	176.7	0	0	0	0	0	113.7	T22 I51 H52 Q56 G57 L58	T22-G54 WeakPolarHBondContact O-CA 3.39Å; I51-G54 WeakPolarHBondContact CG2-O 3.36Å; H52-G54 PolarHBondContact O-N 2.83Å; H52-G54 VanDerWaalsContact O-N 3.12Å; G54-Q56 PolarHBondContact O-N 2.88Å; G54-G57 PolarHBondContact O-N 2.99Å; G54-L58 PolarHBondContact O-N 2.91Å
55	Y	96.9	Very high	96	Very high	14 Å²	14	36 Å²	36	6%	0.055	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-24.8	178.8	-74.3	-62.2	0	0	0	113.3	L21 S23 L58 V59 F92 S121 A125	L21-Y55 HydrophobicContact CD2-CD1 4.32Å; L21-Y55 HydrophobicContact CD2-CE1 4.23Å; S23-Y55 VanDerWaalsContact OG-CD2 3.3Å; S23-Y55 WeakPolarHBondContact OG-CD2 3.32Å; Y55-L58 HydrophobicContact CD1-CD2 3.93Å; Y55-L58 HydrophobicContact CE1-CD2 4.32Å; Y55-L58 WeakPolarHBondContact O-CB 3.43Å; Y55-L58 PolarHBondContact O-N 2.82Å; Y55-V59 WeakPolarHBondContact O-CG2 3.39Å; Y55-V59 PolarHBondContact O-N 2.87Å; Y55-F92 AromaticContact CD1-CD1 3.62Å; Y55-F92 HydrophobicContact CD1-CD1 3.62Å; Y55-F92 HydrophobicContact CD1-CD2 4Å; Y55-F92 AromaticContact CD1-CE1 3.42Å; Y55-F92 HydrophobicContact CD1-CE1 3.42Å; Y55-F92 VanDerWaalsContact CD1-CE1 3.42Å; Y55-F92 AromaticContact CD1-CE2 3.82Å; Y55-F92 HydrophobicContact CD1-CE2 3.82Å; Y55-F92 AromaticContact CD1-CG 3.9Å; Y55-F92 HydrophobicContact CD1-CG 3.9Å; Y55-F92 AromaticContact CD1-CZ 3.52Å; Y55-F92 HydrophobicContact CD1-CZ 3.52Å; Y55-F92 HydrophobicContact CD2-CD1 4.36Å; Y55-F92 AromaticContact CE1-CD1 3.98Å; Y55-F92 HydrophobicContact CE1-CD1 3.98Å; Y55-F92 AromaticContact CE1-CE1 3.36Å; Y55-F92 HydrophobicContact CE1-CE1 3.36Å; Y55-F92 HydrophobicContact CE1-CE2 4.26Å; Y55-F92 AromaticContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE1-CZ 3.52Å; Y55-F92 AromaticContact CG-CD1 3.84Å; Y55-F92 HydrophobicContact CG-CD1 3.84Å; Y55-F92 HydrophobicContact CG-CE1 4.09Å; Y55-F92 HydrophobicContact CG-CG 4.06Å; Y55-F92 AromaticContact CZ-CE1 3.97Å; Y55-S121 PolarHBondContact OH-O 3.17Å; Y55-A125 WeakPolarHBondContact OH-CA 3.29Å; Y55-A125 WeakPolarHBondContact OH-CB 3.38Å; Y55-A125 PolarHBondContact OH-N 2.93Å; Y55-A125 VanDerWaalsContact OH-N 3.09Å
56	Q	96.6	Very high	96.3	Very high	50 Å²	50	39 Å²	39	23%	0.234	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-51	178.6	-173.6	55.8	51.9	0	0	110.3	E53 G54 L58 V59 D60 A87 C89	E53-Q56 HydrophobicContact CB-CB 4.43Å; E53-Q56 WeakPolarHBondContact O-CB 3.26Å; E53-Q56 PolarHBondContact O-N 3.2Å; G54-Q56 PolarHBondContact O-N 2.88Å; Q56-L58 PolarHBondContact O-N 2.64Å; Q56-V59 PolarHBondContact O-N 2.89Å; Q56-V59 VanDerWaalsContact O-N 3.12Å; Q56-D60 PolarHBondContact NE2-OD1 2.8Å; Q56-D60 PolarHBondContact NE2-OD2 3.28Å; Q56-D60 PolarHBondContact O-N 2.66Å; Q56-A87 HydrophobicContact CB-CB 3.96Å; Q56-C89 HydrophobicContact CB-CB 4.15Å; Q56-C89 PolarHBondContact OE1-SG 3.19Å
57	G	96.6	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-23.7	176.6	0	0	0	0	0	114	H52 G54 G61 N64	H52-G57 WeakPolarHBondContact O-CA 3.37Å; H52-G57 PolarHBondContact O-N 2.81Å; G54-G57 PolarHBondContact O-N 2.99Å; G57-G61 PolarHBondContact O-N 3.01Å; G57-N64 WeakPolarHBondContact O-CB 3.31Å
58	L	96.1	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-43.6	169.9	-176.3	62.8	0	0	0	111.8	L21 I51 G54 Y55 Q56 I65 F92 A101 N104 L105 F128	L21-L58 HydrophobicContact CD2-CD2 4.33Å; I51-L58 HydrophobicContact CD1-CD1 3.92Å; I51-L58 HydrophobicContact CG2-CB 4.04Å; G54-L58 PolarHBondContact O-N 2.91Å; Y55-L58 HydrophobicContact CD1-CD2 3.93Å; Y55-L58 HydrophobicContact CE1-CD2 4.32Å; Y55-L58 WeakPolarHBondContact O-CB 3.43Å; Y55-L58 PolarHBondContact O-N 2.82Å; Q56-L58 PolarHBondContact O-N 2.64Å; L58-I65 HydrophobicContact CD1-CD1 4.32Å; L58-F92 HydrophobicContact CD2-CE2 3.87Å; L58-F92 HydrophobicContact CD2-CZ 4.29Å; L58-A101 HydrophobicContact CD2-CB 3.96Å; L58-A101 HydrophobicContact CG-CB 3.71Å; L58-N104 PolarHBondContact O-ND2 3.26Å; L58-L105 HydrophobicContact CD1-CD1 4.11Å; L58-L105 HydrophobicContact CD1-CD2 3.52Å; L58-L105 HydrophobicContact CD1-CG 3.73Å; L58-F128 HydrophobicContact CD2-CE1 4.35Å
59	V	96.8	Very high	96.4	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.115	21%	0.211	C	C	.	.	H	α-helix	trans	-69.9	-45.4	176.8	174	0	0	0	0	111.2	Y55 Q56 G61 A91 F92 A100 A101 N104	Y55-V59 WeakPolarHBondContact O-CG2 3.39Å; Y55-V59 PolarHBondContact O-N 2.87Å; Q56-V59 PolarHBondContact O-N 2.89Å; Q56-V59 VanDerWaalsContact O-N 3.12Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.15Å; V59-A91 HydrophobicContact CG1-CB 4.12Å; V59-F92 HydrophobicContact CG2-CB 4.12Å; V59-F92 HydrophobicContact CG2-CD2 3.73Å; V59-F92 HydrophobicContact CG2-CG 4.43Å; V59-A100 HydrophobicContact CG1-CB 4.21Å; V59-A101 HydrophobicContact CG2-CB 4.33Å; V59-N104 PolarHBondContact O-ND2 2.86Å
60	D	96.4	Very high	96	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	21%	0.212	S	C	.	.	H	α-helix	trans	-68.1	-34.8	-176.9	-64.6	-21.7	0	0	0	112	Q56 N64	Q56-D60 PolarHBondContact NE2-OD1 2.8Å; Q56-D60 PolarHBondContact NE2-OD2 3.28Å; Q56-D60 PolarHBondContact O-N 2.66Å; D60-N64 WeakPolarHBondContact CB-ND2 3.39Å
61	G	94.4	Very high	95.7	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	23%	0.228	C	C	.	.			trans	65.9	-150.8	179.1	0	0	0	0	0	113.3	G57 V59 E63 N64 N104	G57-G61 PolarHBondContact O-N 3.01Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.15Å; G61-E63 PolarHBondContact O-N 3.31Å; G61-N64 WeakPolarHBondContact O-CB 3.38Å; G61-N64 PolarHBondContact O-N 3.15Å; G61-N104 VanDerWaalsContact CA-ND2 3.26Å; G61-N104 WeakPolarHBondContact CA-ND2 3.33Å; G61-N104 PolarHBondContact N-ND2 3.36Å
62	G	93.3	Very high	95.4	Very high	49 Å²	49	46.9 Å²	46.9	51%	0.505	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	59.3	-123.9	176.7	0	0	0	0	0	113.1	N64 I65	G62-N64 PolarHBondContact O-N 3.37Å; G62-I65 PolarHBondContact O-N 3.5Å
63	E	92.1	Very high	95.3	Very high	150 Å²	150	45.1 Å²	45.1	70%	0.701	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-67.9	-13.5	179.7	-68.5	-55.2	124.1	0	0	113.6	G61 I65 K66	G61-E63 PolarHBondContact O-N 3.31Å; E63-I65 VanDerWaalsContact C-N 3.27Å; E63-I65 PolarHBondContact O-N 3.15Å; E63-K66 WeakPolarHBondContact O-CE 3.22Å; E63-K66 WeakPolarHBondContact O-CG 3.16Å
64	N	96.8	Very high	95	Very high	48 Å²	48	42.7 Å²	42.7	26%	0.257	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-78	-13	175.9	-65.9	-40.1	0	0	0	112.8	I51 H52 G57 D60 G61 G62	I51-N64 CarbonylContact C-O 3.55Å; I51-N64 WeakPolarHBondContact CA-O 3.46Å; H52-N64 HydrophobicContact CB-CB 4.45Å; H52-N64 PolarHBondContact N-O 3.47Å; G57-N64 WeakPolarHBondContact O-CB 3.31Å; D60-N64 WeakPolarHBondContact CB-ND2 3.39Å; G61-N64 WeakPolarHBondContact O-CB 3.38Å; G61-N64 PolarHBondContact O-N 3.15Å; G62-N64 PolarHBondContact O-N 3.37Å
65	I	97.8	Very high	94.6	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	89.8	177.5	-51.8	-179.1	0	0	0	109.2	Y49 I51 L58 G62 E63 N104 K108 I110	Y49-I65 HydrophobicContact CD1-CG2 4.02Å; Y49-I65 HydrophobicContact CG-CG2 4.29Å; I51-I65 HydrophobicContact CG1-CG1 4.34Å; I51-I65 HydrophobicContact CG1-CG2 4.36Å; L58-I65 HydrophobicContact CD1-CD1 4.32Å; G62-I65 PolarHBondContact O-N 3.5Å; E63-I65 VanDerWaalsContact C-N 3.27Å; E63-I65 PolarHBondContact O-N 3.15Å; I65-N104 HydrophobicContact CD1-CB 3.82Å; I65-K108 HydrophobicContact CG2-CG 4.5Å; I65-I110 HydrophobicContact CG2-CD1 3.91Å
66	K	97.6	Very high	94.6	Very high	98 Å²	98	45.5 Å²	45.5	43%	0.426	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.4	-171.7	-61.5	-169.1	-179.2	-178.8	0	111.8	Y49 L50 E63 A68	Y49-K66 CarbonylContact C-O 3.59Å; Y49-K66 WeakPolarHBondContact CA-O 2.84Å; L50-K66 PolarHBondContact N-O 2.94Å; L50-K66 PolarHBondContact O-N 3.32Å; E63-K66 WeakPolarHBondContact O-CE 3.22Å; E63-K66 WeakPolarHBondContact O-CG 3.16Å; K66-A68 PolarHBondContact O-N 2.73Å
67	L	97.4	Very high	94.5	Very high	78 Å²	78	43.3 Å²	43.3	41%	0.408	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.8	171	-175.5	70.9	0	0	0	109.1	K47 V48 Y49	K47-L67 HydrophobicContact CB-CD1 4.19Å; V48-L67 WeakPolarHBondContact O-CD1 3.4Å; Y49-L67 HydrophobicContact CD1-CB 4.19Å; Y49-L67 HydrophobicContact CD1-CD1 4.28Å; Y49-L67 HydrophobicContact CD2-CD1 4.48Å; Y49-L67 HydrophobicContact CE1-CB 3.95Å; Y49-L67 HydrophobicContact CE1-CD1 3.88Å; Y49-L67 HydrophobicContact CE2-CD1 4.12Å
68	A	96.7	Very high	94.4	Very high	5 Å²	5	44.6 Å²	44.6	4%	0.041	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-90.5	140.2	179.5	0	0	0	0	0	110.8	T38 V48 L50 K66	T38-A68 HydrophobicContact CG2-CB 3.64Å; V48-A68 HydrophobicContact CB-CB 4.23Å; V48-A68 HydrophobicContact CG1-CB 4.35Å; V48-A68 WeakPolarHBondContact O-CB 3.43Å; V48-A68 PolarHBondContact O-N 2.93Å; L50-A68 HydrophobicContact CD1-CB 4.42Å; L50-A68 HydrophobicContact CD2-CB 4.27Å; L50-A68 HydrophobicContact CG-CB 3.93Å; K66-A68 PolarHBondContact O-N 2.73Å
69	H	94.3	Very high	94.4	Very high	98 Å²	98	48.1 Å²	48.1	45%	0.454	26%	0.256	S	S	.	.			trans	-114.2	169.5	166.4	-61.4	-60.8	0	0	0	109.6	H71 S72	H69-H71 WeakPolarHBondContact CB-NE2 3.28Å; H69-H71 AromaticContact CD2-NE2 3.82Å; H69-H71 AromaticContact CG-NE2 3.87Å; H69-H71 PolarHBondContact O-N 2.74Å; H69-H71 VanDerWaalsContact O-N 3.15Å; H69-S72 PolarHBondContact N-OG 3.1Å; H69-S72 VanDerWaalsContact O-CB 3.22Å; H69-S72 WeakPolarHBondContact O-CB 3.46Å; H69-S72 PolarHBondContact O-N 3.03Å; H69-S72 PolarHBondContact O-OG 3.25Å
70	W	90.8	Very high	94.3	Very high	30 Å²	30	48.7 Å²	48.7	11%	0.114	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-56.5	-35.4	-178.8	-170.7	-92.3	0	0	0	113.1	R39 I42 T74 L751 R753	R39-W70 HydrophobicContact CB-CE3 4.27Å; R39-W70 HydrophobicContact CB-CH2 3.89Å; R39-W70 HydrophobicContact CB-CZ3 3.75Å; R39-W70 HydrophobicContact CG-CD2 4.25Å; R39-W70 HydrophobicContact CG-CE3 4.08Å; R39-W70 HydrophobicContact CG-CH2 4.01Å; R39-W70 HydrophobicContact CG-CZ2 4.17Å; R39-W70 HydrophobicContact CG-CZ3 3.97Å; R39-W70 WeakPolarHBondContact O-CZ3 3.03Å; I42-W70 HydrophobicContact CB-CE3 4.35Å; I42-W70 HydrophobicContact CG2-CE3 4.1Å; W70-T74 PolarHBondContact O-OG1 3.27Å; W70-L751 WeakPolarHBondContact CH2-O 3.48Å; W70-L751 WeakPolarHBondContact CZ2-O 3.4Å; W70-R753 HydrophobicContact CH2-CB 3.81Å; W70-R753 HydrophobicContact CH2-CG 4.4Å; W70-R753 HydrophobicContact CZ2-CB 3.7Å; W70-R753 HydrophobicContact CZ3-CB 4.48Å
71	H	91.1	Very high	94.1	Very high	86 Å²	86	45 Å²	45	40%	0.398	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-74.7	-23.6	177.9	63.8	75.4	0	0	0	113	H69 V73 T74 D618 I619	H69-H71 WeakPolarHBondContact CB-NE2 3.28Å; H69-H71 AromaticContact CD2-NE2 3.82Å; H69-H71 AromaticContact CG-NE2 3.87Å; H69-H71 PolarHBondContact O-N 2.74Å; H69-H71 VanDerWaalsContact O-N 3.15Å; H71-V73 PolarHBondContact O-N 3.33Å; H71-V73 VanDerWaalsContact O-N 3.1Å; H71-T74 WeakPolarHBondContact O-CB 3.42Å; H71-T74 PolarHBondContact O-N 2.95Å; H71-T74 PolarHBondContact O-OG1 3.25Å; H71-D618 HydrophobicContact CB-CB 4.34Å; H71-D618 IonicContact CD2-OD2 3.96Å; H71-I619 HydrophobicContact CB-CG1 4.38Å
72	S	93.1	Very high	94.2	Very high	46 Å²	46	46.1 Å²	46.1	32%	0.322	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25.8	-176.8	-55.6	0	0	0	0	113.6	H69	H69-S72 PolarHBondContact N-OG 3.1Å; H69-S72 VanDerWaalsContact O-CB 3.22Å; H69-S72 WeakPolarHBondContact O-CB 3.46Å; H69-S72 PolarHBondContact O-N 3.03Å; H69-S72 PolarHBondContact O-OG 3.25Å
73	V	94.2	Very high	94.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-115.9	22.6	179.3	-64.2	0	0	0	0	112.8	V34 R35 T38 R39 L50 H71 I76	V34-V73 HydrophobicContact CG1-CG1 4.24Å; R35-V73 HydrophobicContact CB-CB 4.18Å; R35-V73 HydrophobicContact CB-CG2 4.46Å; R35-V73 HydrophobicContact CG-CB 4.29Å; R35-V73 HydrophobicContact CG-CG2 4.15Å; T38-V73 HydrophobicContact CG2-CB 4.5Å; T38-V73 HydrophobicContact CG2-CG1 3.84Å; T38-V73 HydrophobicContact CG2-CG2 3.82Å; R39-V73 HydrophobicContact CG-CG2 3.92Å; L50-V73 HydrophobicContact CD1-CG1 4.48Å; H71-V73 PolarHBondContact O-N 3.33Å; H71-V73 VanDerWaalsContact O-N 3.1Å; V73-I76 HydrophobicContact CB-CD1 3.76Å; V73-I76 HydrophobicContact CB-CG1 4.36Å; V73-I76 HydrophobicContact CG1-CD1 3.92Å
74	T	90.2	Very high	94.5	Very high	29 Å²	29	39.8 Å²	39.8	18%	0.178	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	140.6	174.9	-65.9	0	0	0	0	110	R39 W70 H71 I76 I619	R39-T74 PolarHBondContact NH2-OG1 3.48Å; W70-T74 PolarHBondContact O-OG1 3.27Å; H71-T74 WeakPolarHBondContact O-CB 3.42Å; H71-T74 PolarHBondContact O-N 2.95Å; H71-T74 PolarHBondContact O-OG1 3.25Å; T74-I76 VanDerWaalsContact C-N 3.28Å; T74-I76 PolarHBondContact O-N 2.93Å; T74-I619 HydrophobicContact CG2-CD1 4.16Å; T74-I619 HydrophobicContact CG2-CG1 4.19Å; T74-I619 HydrophobicContact CG2-CG2 3.96Å; T74-I619 VanDerWaalsContact OG1-CD1 3.31Å; T74-I619 WeakPolarHBondContact OG1-CD1 3.46Å
75	N	88.5	Confident	94.5	Very high	61 Å²	61	38.1 Å²	38.1	33%	0.326	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	18.9	177.2	-155.2	38.8	0	0	0	116.4	Q78 R621	N75-Q78 VanDerWaalsContact CG-NE2 3.35Å; N75-Q78 PolarHBondContact O-NE2 2.78Å; N75-Q78 PolarHBondContact O-OE1 3.27Å; N75-Q78 PolarHBondContact OD1-NE2 3.27Å; N75-R621 VanDerWaalsContact CA-NH2 3.3Å; N75-R621 VanDerWaalsContact CG-NH2 3.27Å; N75-R621 PolarHBondContact OD1-NH1 2.87Å; N75-R621 PolarHBondContact OD1-NH2 3.05Å
76	I	95.1	Very high	94.2	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.067	22%	0.222	C	C	.	.			trans	-99.6	-15.3	177.7	73.1	172.8	0	0	0	113.6	N31 V34 R35 V73 T74 Q78 L79 V83	N31-I76 HydrophobicContact CB-CB 4.24Å; N31-I76 HydrophobicContact CB-CD1 4.31Å; N31-I76 HydrophobicContact CB-CG1 4.2Å; N31-I76 WeakPolarHBondContact CB-O 3.27Å; N31-I76 WeakPolarHBondContact O-CD1 3.38Å; V34-I76 HydrophobicContact CG1-CD1 4.44Å; R35-I76 HydrophobicContact CB-CD1 4.08Å; R35-I76 HydrophobicContact CB-CG1 4.07Å; V73-I76 HydrophobicContact CB-CD1 3.76Å; V73-I76 HydrophobicContact CB-CG1 4.36Å; V73-I76 HydrophobicContact CG1-CD1 3.92Å; T74-I76 VanDerWaalsContact C-N 3.28Å; T74-I76 PolarHBondContact O-N 2.93Å; I76-Q78 PolarHBondContact O-N 3.18Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-L79 HydrophobicContact CB-CD1 4.29Å; I76-L79 HydrophobicContact CG2-CD1 4.3Å; I76-L79 WeakPolarHBondContact O-CB 3.47Å; I76-L79 PolarHBondContact O-N 3.15Å; I76-V83 HydrophobicContact CB-CG1 4.19Å; I76-V83 HydrophobicContact CB-CG2 4.45Å; I76-V83 HydrophobicContact CD1-CG2 3.9Å; I76-V83 HydrophobicContact CG2-CG1 4.03Å; I76-V83 HydrophobicContact CG2-CG2 4.22Å
77	I	95.7	Very high	93.8	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.015	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.6	-172	-164	171.8	0	0	0	113.4	A32 R310 A586	A32-I77 HydrophobicContact CB-CG1 3.86Å; I77-R310 HydrophobicContact CG1-CB 4.49Å; I77-R310 HydrophobicContact CG1-CG 4.4Å; I77-A586 WeakPolarHBondContact CD1-O 3.35Å
78	Q	94.8	Very high	93.4	Very high	28 Å²	28	44.5 Å²	44.5	13%	0.131	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-3.8	179.2	75.8	-77.9	-4.2	0	0	114.2	N75 I76 T304 P305 R310 D553	N75-Q78 VanDerWaalsContact CG-NE2 3.35Å; N75-Q78 PolarHBondContact O-NE2 2.78Å; N75-Q78 PolarHBondContact O-OE1 3.27Å; N75-Q78 PolarHBondContact OD1-NE2 3.27Å; I76-Q78 PolarHBondContact O-N 3.18Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-T304 WeakPolarHBondContact O-CG2 3.31Å; Q78-P305 WeakPolarHBondContact O-CD 3.31Å; Q78-R310 VanDerWaalsContact CB-NH1 3.31Å; Q78-D553 WeakPolarHBondContact CB-OD2 3.26Å
79	L	95.6	Very high	93.1	Very high	73 Å²	73	45.1 Å²	45.1	38%	0.382	24%	0.242	S	C	.	.			trans	-82.4	139	-177.8	-58	-178.7	0	0	0	110.3	N31 I76 V83	N31-L79 PolarHBondContact ND2-O 3.47Å; I76-L79 HydrophobicContact CB-CD1 4.29Å; I76-L79 HydrophobicContact CG2-CD1 4.3Å; I76-L79 WeakPolarHBondContact O-CB 3.47Å; I76-L79 PolarHBondContact O-N 3.15Å; L79-V83 HydrophobicContact CD1-CG1 3.91Å
80	G	93.5	Very high	92.9	Very high	32 Å²	32	48.8 Å²	48.8	33%	0.33	26%	0.257	S	S	.	.	S	Bend	trans	-70.3	170.6	169.2	0	0	0	0	0	112.9	N31 G303	N31-G80 PolarHBondContact ND2-O 3.31Å; G80-G303 WeakPolarHBondContact CA-O 3.44Å
81	G	93.9	Very high	92.9	Very high	11 Å²	11	49 Å²	49	11%	0.113	27%	0.265	C	S	.	.	S	Bend	trans	59.4	-144.6	179.7	0	0	0	0	0	113.5	D26 N31	D26-G81 WeakPolarHBondContact OD2-CA 2.95Å; N31-G81 PolarHBondContact ND2-O 3.23Å; N31-G81 VanDerWaalsContact ND2-O 3.1Å
82	T	95.6	Very high	93.1	Very high	26 Å²	26	45.6 Å²	45.6	16%	0.16	25%	0.249	C	C	.	.			trans	-132.1	124.7	175.8	173.6	0	0	0	0	111.7	T22 N31 I84 G85	T22-T82 WeakPolarHBondContact OG1-CB 3.3Å; T22-T82 WeakPolarHBondContact OG1-CG2 3.36Å; T22-T82 PolarHBondContact OG1-OG1 2.95Å; N31-T82 WeakPolarHBondContact OD1-CA 3.35Å; T82-I84 PolarHBondContact O-N 3.15Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.16Å; T82-I84 PolarHBondContact OG1-N 2.95Å; T82-G85 PolarHBondContact O-N 3.47Å; T82-G85 VanDerWaalsContact O-N 3.17Å
83	V	96.3	Very high	93	Very high	63 Å²	63	50.8 Å²	50.8	38%	0.382	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.5	178.7	-63.1	0	0	0	0	113.3	N31 I76 L79	N31-V83 WeakPolarHBondContact OD1-CG1 3.47Å; N31-V83 WeakPolarHBondContact OD1-CG2 3.03Å; N31-V83 PolarHBondContact OD1-N 2.76Å; I76-V83 HydrophobicContact CB-CG1 4.19Å; I76-V83 HydrophobicContact CB-CG2 4.45Å; I76-V83 HydrophobicContact CD1-CG2 3.9Å; I76-V83 HydrophobicContact CG2-CG1 4.03Å; I76-V83 HydrophobicContact CG2-CG2 4.22Å; L79-V83 HydrophobicContact CD1-CG1 3.91Å
84	I	96.5	Very high	93	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	3.4	174.8	65.1	177.8	0	0	0	111.8	T22 V34 L50 H52 E53 T82	T22-I84 HydrophobicContact CG2-CD1 4.14Å; T22-I84 HydrophobicContact CG2-CG1 4.28Å; T22-I84 VanDerWaalsContact OG1-CG1 3.26Å; T22-I84 WeakPolarHBondContact OG1-CG1 3.48Å; V34-I84 HydrophobicContact CG1-CD1 4.41Å; V34-I84 HydrophobicContact CG2-CD1 3.86Å; V34-I84 HydrophobicContact CG2-CG1 4.48Å; L50-I84 HydrophobicContact CB-CG2 4.11Å; L50-I84 HydrophobicContact CD1-CG2 4.1Å; L50-I84 HydrophobicContact CG-CG2 4.47Å; H52-I84 CarbonylContact C-O 3.59Å; H52-I84 WeakPolarHBondContact CA-O 3.27Å; E53-I84 PolarHBondContact N-O 3.39Å; T82-I84 PolarHBondContact O-N 3.15Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.16Å; T82-I84 PolarHBondContact OG1-N 2.95Å
85	G	94.9	Very high	93.2	Very high	13 Å²	13	55.6 Å²	55.6	13%	0.134	29%	0.29	C	S	.	.			trans	71.9	169.8	177.9	0	0	0	0	0	113.7	T22 T82	T22-G85 PolarHBondContact OG1-O 3.01Å; T82-G85 PolarHBondContact O-N 3.47Å; T82-G85 VanDerWaalsContact O-N 3.17Å
86	S	91.9	Very high	93.4	Very high	37 Å²	37	59.2 Å²	59.2	26%	0.259	31%	0.305	S	S	.	.			trans	-156.5	114	177.2	178.5	0	0	0	0	108.4	S23 G24	S23-S86 WeakPolarHBondContact CA-OG 3.45Å; G24-S86 PolarHBondContact N-OG 3.21Å; G24-S86 PolarHBondContact O-OG 2.77Å
87	A	89.9	Confident	93.4	Very high	30 Å²	30	58.8 Å²	58.8	25%	0.248	30%	0.304	C	S	.	.			trans	-117.3	147.4	179.7	0	0	0	0	0	111.4	E53 Q56 C89	E53-A87 HydrophobicContact CB-CB 4.01Å; E53-A87 WeakPolarHBondContact O-CB 3.39Å; E53-A87 PolarHBondContact O-N 3.01Å; Q56-A87 HydrophobicContact CB-CB 3.96Å; A87-C89 PolarHBondContact O-N 3.34Å
88	R	87.8	Confident	93.5	Very high	247 Å²	247	60.1 Å²	60.1	93%	0.932	31%	0.309	S	S	*	.			trans	-69.6	124.1	169.4	-66.7	-174.5	-171.3	177.4	3.2	108.8
89	C	90.6	Very high	93.6	Very high	19 Å²	19	59.4 Å²	59.4	13%	0.128	31%	0.306	C	S	.	.			trans	-111.1	104.7	-179.8	-170.8	0	0	0	0	111.5	Q56 A87 F92	Q56-C89 HydrophobicContact CB-CB 4.15Å; Q56-C89 PolarHBondContact OE1-SG 3.19Å; A87-C89 PolarHBondContact O-N 3.34Å; C89-F92 HydrophobicContact CB-CB 4.12Å; C89-F92 VanDerWaalsContact SG-CB 3.59Å; C89-F92 PolarHBondContact SG-N 2.86Å
90	K	90.3	Very high	93.6	Very high	174 Å²	174	57.6 Å²	57.6	76%	0.757	30%	0.302	S	S	*	.	S	Bend	trans	-71.6	-37	171.7	-69.6	-175.2	179.4	-179.7	0	111.6	F92 Q93	K90-F92 VanDerWaalsContact C-N 3.29Å; K90-F92 PolarHBondContact O-N 3.02Å; K90-Q93 WeakPolarHBondContact O-CB 3.25Å; K90-Q93 PolarHBondContact O-N 3.39Å; K90-Q93 VanDerWaalsContact O-N 3.08Å
91	A	92.3	Very high	93.8	Very high	35 Å²	35	56.1 Å²	56.1	29%	0.289	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.8	-39.9	-178.1	0	0	0	0	0	112	V59 Q93 T94 G97	V59-A91 HydrophobicContact CG1-CB 4.12Å; A91-Q93 PolarHBondContact O-N 3.16Å; A91-Q93 VanDerWaalsContact O-N 3.16Å; A91-T94 WeakPolarHBondContact O-CB 3.39Å; A91-T94 PolarHBondContact O-N 3.48Å; A91-T94 PolarHBondContact O-OG1 2.82Å; A91-G97 WeakPolarHBondContact O-CA 3.22Å
92	F	93.8	Very high	93.9	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.061	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-66.3	-16.5	179.9	-159.8	-103.5	0	0	0	114.2	Y55 L58 V59 C89 K90 T94 R98 A101 F128	Y55-F92 AromaticContact CD1-CD1 3.62Å; Y55-F92 HydrophobicContact CD1-CD1 3.62Å; Y55-F92 HydrophobicContact CD1-CD2 4Å; Y55-F92 AromaticContact CD1-CE1 3.42Å; Y55-F92 HydrophobicContact CD1-CE1 3.42Å; Y55-F92 VanDerWaalsContact CD1-CE1 3.42Å; Y55-F92 AromaticContact CD1-CE2 3.82Å; Y55-F92 HydrophobicContact CD1-CE2 3.82Å; Y55-F92 AromaticContact CD1-CG 3.9Å; Y55-F92 HydrophobicContact CD1-CG 3.9Å; Y55-F92 AromaticContact CD1-CZ 3.52Å; Y55-F92 HydrophobicContact CD1-CZ 3.52Å; Y55-F92 HydrophobicContact CD2-CD1 4.36Å; Y55-F92 AromaticContact CE1-CD1 3.98Å; Y55-F92 HydrophobicContact CE1-CD1 3.98Å; Y55-F92 AromaticContact CE1-CE1 3.36Å; Y55-F92 HydrophobicContact CE1-CE1 3.36Å; Y55-F92 HydrophobicContact CE1-CE2 4.26Å; Y55-F92 AromaticContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE1-CZ 3.52Å; Y55-F92 AromaticContact CG-CD1 3.84Å; Y55-F92 HydrophobicContact CG-CD1 3.84Å; Y55-F92 HydrophobicContact CG-CE1 4.09Å; Y55-F92 HydrophobicContact CG-CG 4.06Å; Y55-F92 AromaticContact CZ-CE1 3.97Å; L58-F92 HydrophobicContact CD2-CE2 3.87Å; L58-F92 HydrophobicContact CD2-CZ 4.29Å; V59-F92 HydrophobicContact CG2-CB 4.12Å; V59-F92 HydrophobicContact CG2-CD2 3.73Å; V59-F92 HydrophobicContact CG2-CG 4.43Å; C89-F92 HydrophobicContact CB-CB 4.12Å; C89-F92 VanDerWaalsContact SG-CB 3.59Å; C89-F92 PolarHBondContact SG-N 2.86Å; K90-F92 VanDerWaalsContact C-N 3.29Å; K90-F92 PolarHBondContact O-N 3.02Å; F92-T94 VanDerWaalsContact C-N 3.27Å; F92-R98 HydrophobicContact CD1-CG 4.48Å; F92-R98 HydrophobicContact CD2-CG 4.07Å; F92-R98 HydrophobicContact CE1-CG 4.41Å; F92-R98 HydrophobicContact CE2-CG 4.01Å; F92-R98 HydrophobicContact CG-CG 4.32Å; F92-R98 HydrophobicContact CZ-CG 4.19Å; F92-R98 VanDerWaalsContact O-CG 3.32Å; F92-R98 WeakPolarHBondContact O-CG 3.35Å; F92-R98 PolarHBondContact O-NH1 3.08Å; F92-R98 VanDerWaalsContact O-NH1 3.1Å; F92-A101 HydrophobicContact CD2-CB 4.1Å; F92-A101 HydrophobicContact CE2-CB 3.66Å; F92-F128 HydrophobicContact CE1-CB 4.3Å; F92-F128 HydrophobicContact CE2-CD2 4.11Å; F92-F128 HydrophobicContact CE2-CE2 4.18Å; F92-F128 HydrophobicContact CE2-CG 4.34Å; F92-F128 HydrophobicContact CE2-CZ 4.46Å; F92-F128 HydrophobicContact CZ-CB 3.84Å; F92-F128 HydrophobicContact CZ-CD1 4.04Å; F92-F128 AromaticContact CZ-CD2 3.79Å; F92-F128 HydrophobicContact CZ-CD2 3.79Å; F92-F128 HydrophobicContact CZ-CE2 4.28Å; F92-F128 AromaticContact CZ-CG 3.64Å; F92-F128 HydrophobicContact CZ-CG 3.64Å
93	Q	91.4	Very high	94	Very high	155 Å²	155	56.5 Å²	56.5	72%	0.724	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-71.9	-24.7	171.6	-59.9	-176.8	-21	0	0	112	K90 A91 R98	K90-Q93 WeakPolarHBondContact O-CB 3.25Å; K90-Q93 PolarHBondContact O-N 3.39Å; K90-Q93 VanDerWaalsContact O-N 3.08Å; A91-Q93 PolarHBondContact O-N 3.16Å; A91-Q93 VanDerWaalsContact O-N 3.16Å; Q93-R98 PolarHBondContact O-NH1 3.21Å
94	T	94.1	Very high	94	Very high	63 Å²	63	54.5 Å²	54.5	39%	0.387	27%	0.27	S	S	.	.	S	Bend	trans	-86.2	152.7	175.9	71.3	0	0	0	0	111.4	A91 F92 E96 G97 R98	A91-T94 WeakPolarHBondContact O-CB 3.39Å; A91-T94 PolarHBondContact O-N 3.48Å; A91-T94 PolarHBondContact O-OG1 2.82Å; F92-T94 VanDerWaalsContact C-N 3.27Å; T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 WeakPolarHBondContact CB-OE2 3.26Å; T94-E96 PolarHBondContact O-N 3.3Å; T94-G97 PolarHBondContact O-N 3.02Å; T94-G97 PolarHBondContact OG1-N 3.19Å; T94-G97 VanDerWaalsContact OG1-N 3.14Å; T94-R98 PolarHBondContact O-N 2.51Å; T94-R98 PolarHBondContact O-NH1 2.66Å
95	R	93.8	Very high	94	Very high	68 Å²	68	54.4 Å²	54.4	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-39.5	175.1	-175.2	71.7	174	178.3	0.5	110.5	G97 R98 I99 E131 G134 E138	R95-G97 PolarHBondContact O-N 3.36Å; R95-R98 PolarHBondContact O-N 2.79Å; R95-R98 VanDerWaalsContact O-N 3.15Å; R95-I99 HydrophobicContact CG-CD1 4.16Å; R95-I99 VanDerWaalsContact O-CG1 3.31Å; R95-I99 WeakPolarHBondContact O-CG1 3.39Å; R95-I99 PolarHBondContact O-N 2.83Å; R95-E131 IonicContact CZ-OE2 2.98Å; R95-E131 VanDerWaalsContact NH1-CG 3.29Å; R95-E131 IonicContact NH1-OE2 3.8Å; R95-E131 PolarHBondContact NH1-OE2 3.13Å; R95-G134 PolarHBondContact NH2-O 3.13Å; R95-E138 IonicContact CZ-OE1 2.64Å; R95-E138 IonicContact NE-OE1 2.8Å; R95-E138 PolarHBondContact NE-OE1 2.85Å; R95-E138 IonicContact NH2-OE1 3.67Å; R95-E138 PolarHBondContact NH2-OE1 3.43Å
96	E	94.4	Very high	94	Very high	137 Å²	137	54 Å²	54	64%	0.64	26%	0.264	S	S	*	.	H	α-helix	trans	-59.8	-43.3	177.8	-63.7	85	-179.4	0	0	112.5	T94 R98 I99 A100	T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 WeakPolarHBondContact CB-OE2 3.26Å; T94-E96 PolarHBondContact O-N 3.3Å; E96-R98 VanDerWaalsContact C-N 3.34Å; E96-R98 PolarHBondContact O-N 2.93Å; E96-I99 WeakPolarHBondContact O-CB 3.49Å; E96-I99 PolarHBondContact O-N 2.79Å; E96-A100 PolarHBondContact O-N 3.06Å
97	G	95.3	Very high	94.1	Very high	5 Å²	5	59.3 Å²	59.3	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-40	175.7	0	0	0	0	0	112.4	A91 T94 R95 A100 A101	A91-G97 WeakPolarHBondContact O-CA 3.22Å; T94-G97 PolarHBondContact O-N 3.02Å; T94-G97 PolarHBondContact OG1-N 3.19Å; T94-G97 VanDerWaalsContact OG1-N 3.14Å; R95-G97 PolarHBondContact O-N 3.36Å; G97-A100 PolarHBondContact O-N 3.48Å; G97-A101 PolarHBondContact O-N 3.35Å
98	R	96.7	Very high	94.3	Very high	30 Å²	30	61.9 Å²	61.9	11%	0.113	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-36.1	174.7	-67.2	-168.1	-64	-84.3	11.5	112.4	F92 Q93 T94 R95 E96 A101 A102 F128 E131 L135	F92-R98 HydrophobicContact CD1-CG 4.48Å; F92-R98 HydrophobicContact CD2-CG 4.07Å; F92-R98 HydrophobicContact CE1-CG 4.41Å; F92-R98 HydrophobicContact CE2-CG 4.01Å; F92-R98 HydrophobicContact CG-CG 4.32Å; F92-R98 HydrophobicContact CZ-CG 4.19Å; F92-R98 VanDerWaalsContact O-CG 3.32Å; F92-R98 WeakPolarHBondContact O-CG 3.35Å; F92-R98 PolarHBondContact O-NH1 3.08Å; F92-R98 VanDerWaalsContact O-NH1 3.1Å; Q93-R98 PolarHBondContact O-NH1 3.21Å; T94-R98 PolarHBondContact O-N 2.51Å; T94-R98 PolarHBondContact O-NH1 2.66Å; R95-R98 PolarHBondContact O-N 2.79Å; R95-R98 VanDerWaalsContact O-N 3.15Å; E96-R98 VanDerWaalsContact C-N 3.34Å; E96-R98 PolarHBondContact O-N 2.93Å; R98-A101 PolarHBondContact O-N 2.97Å; R98-A102 WeakPolarHBondContact O-CB 3.47Å; R98-A102 PolarHBondContact O-N 3.37Å; R98-F128 HydrophobicContact CB-CD2 4.05Å; R98-F128 HydrophobicContact CB-CE2 4.14Å; R98-F128 HydrophobicContact CG-CD2 4.17Å; R98-F128 WeakPolarHBondContact O-CE2 3.3Å; R98-E131 IonicContact CZ-OE1 3.29Å; R98-E131 IonicContact CZ-OE2 2.75Å; R98-E131 VanDerWaalsContact CZ-OE2 3.27Å; R98-E131 IonicContact NE-OE1 2.96Å; R98-E131 IonicContact NE-OE2 2.66Å; R98-E131 PolarHBondContact NE-OE2 3.31Å; R98-E131 IonicContact NH2-OE1 2.68Å; R98-E131 PolarHBondContact NH2-OE1 3.47Å; R98-E131 IonicContact NH2-OE2 3.9Å; R98-E131 PolarHBondContact NH2-OE2 2.9Å; R98-L135 HydrophobicContact CB-CD1 4.13Å; R98-L135 HydrophobicContact CB-CD2 4.05Å
99	I	96.6	Very high	94.5	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-44.6	173.2	-68.8	168.5	0	0	0	110.7	R95 E96 A102 F103 L135 E138 L139	R95-I99 HydrophobicContact CG-CD1 4.16Å; R95-I99 VanDerWaalsContact O-CG1 3.31Å; R95-I99 WeakPolarHBondContact O-CG1 3.39Å; R95-I99 PolarHBondContact O-N 2.83Å; E96-I99 WeakPolarHBondContact O-CB 3.49Å; E96-I99 PolarHBondContact O-N 2.79Å; I99-A102 PolarHBondContact O-N 2.94Å; I99-F103 WeakPolarHBondContact O-CB 3.42Å; I99-F103 PolarHBondContact O-N 3.45Å; I99-L135 HydrophobicContact CB-CD2 4.42Å; I99-L135 HydrophobicContact CG1-CD2 3.47Å; I99-L135 VanDerWaalsContact CG1-CD2 3.47Å; I99-E138 HydrophobicContact CD1-CB 4.42Å; I99-E138 WeakPolarHBondContact CD1-OE2 3.45Å; I99-L139 HydrophobicContact CG2-CD2 3.5Å; I99-L139 VanDerWaalsContact CG2-CD2 3.5Å; I99-L139 HydrophobicContact CG2-CG 3.93Å
100	A	96.3	Very high	94.8	Very high	35 Å²	35	50.4 Å²	50.4	29%	0.289	25%	0.25	S	C	.	.	H	α-helix	trans	-61.8	-44.4	176.4	0	0	0	0	0	111.8	V59 E96 G97 F103 N104	V59-A100 HydrophobicContact CG1-CB 4.21Å; E96-A100 PolarHBondContact O-N 3.06Å; G97-A100 PolarHBondContact O-N 3.48Å; A100-F103 WeakPolarHBondContact O-CB 3.21Å; A100-F103 PolarHBondContact O-N 2.76Å; A100-N104 VanDerWaalsContact O-CG 3.28Å; A100-N104 PolarHBondContact O-N 2.76Å; A100-N104 PolarHBondContact O-ND2 3.46Å
101	A	96.9	Very high	94.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-47.6	174	0	0	0	0	0	112.8	L58 V59 F92 G97 R98 F103 N104 L105 F128	L58-A101 HydrophobicContact CD2-CB 3.96Å; L58-A101 HydrophobicContact CG-CB 3.71Å; V59-A101 HydrophobicContact CG2-CB 4.33Å; F92-A101 HydrophobicContact CD2-CB 4.1Å; F92-A101 HydrophobicContact CE2-CB 3.66Å; G97-A101 PolarHBondContact O-N 3.35Å; R98-A101 PolarHBondContact O-N 2.97Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 PolarHBondContact O-N 3.19Å; A101-N104 PolarHBondContact O-N 3.19Å; A101-L105 PolarHBondContact O-N 3.06Å; A101-L105 VanDerWaalsContact O-N 3.08Å; A101-F128 HydrophobicContact CB-CE2 4.11Å; A101-F128 HydrophobicContact CB-CZ 3.9Å
102	A	97	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-43.7	178.2	0	0	0	0	0	111.5	R98 I99 N104 L105 V106 F128 W132 L135 L139	R98-A102 WeakPolarHBondContact O-CB 3.47Å; R98-A102 PolarHBondContact O-N 3.37Å; I99-A102 PolarHBondContact O-N 2.94Å; A102-N104 VanDerWaalsContact C-N 3.33Å; A102-N104 PolarHBondContact O-N 3.39Å; A102-L105 PolarHBondContact O-N 2.77Å; A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.46Å; A102-V106 PolarHBondContact O-N 3.31Å; A102-F128 HydrophobicContact CB-CE2 4.17Å; A102-F128 HydrophobicContact CB-CZ 4.18Å; A102-W132 HydrophobicContact CB-CE3 4.18Å; A102-W132 HydrophobicContact CB-CH2 4.09Å; A102-W132 HydrophobicContact CB-CZ3 3.6Å; A102-L135 HydrophobicContact CB-CB 4.14Å; A102-L135 HydrophobicContact CB-CD1 4.29Å; A102-L139 HydrophobicContact CB-CD1 4.1Å
103	F	96.5	Very high	95.3	Very high	45 Å²	45	41.3 Å²	41.3	20%	0.197	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-45.3	174.9	175.1	-105.5	0	0	0	112.3	I99 A100 A101 V106 K107 L139 R144 I145	I99-F103 WeakPolarHBondContact O-CB 3.42Å; I99-F103 PolarHBondContact O-N 3.45Å; A100-F103 WeakPolarHBondContact O-CB 3.21Å; A100-F103 PolarHBondContact O-N 2.76Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 PolarHBondContact O-N 3.19Å; F103-V106 PolarHBondContact O-N 2.81Å; F103-K107 HydrophobicContact CE1-CD 4.38Å; F103-K107 HydrophobicContact CZ-CD 4.42Å; F103-K107 VanDerWaalsContact O-CB 3.29Å; F103-K107 WeakPolarHBondContact O-CB 3.13Å; F103-K107 PolarHBondContact O-N 2.93Å; F103-L139 HydrophobicContact CB-CD1 4.06Å; F103-L139 HydrophobicContact CB-CD2 3.87Å; F103-L139 HydrophobicContact CD2-CD2 4.26Å; F103-L139 HydrophobicContact CG-CD2 4.43Å; F103-R144 HydrophobicContact CD2-CB 4.11Å; F103-R144 HydrophobicContact CE2-CB 4.11Å; F103-R144 WeakPolarHBondContact CE2-O 3.42Å; F103-I145 HydrophobicContact CD2-CG2 3.87Å; F103-I145 HydrophobicContact CE2-CG2 4.14Å
104	N	97	Very high	95.6	Very high	22 Å²	22	33.9 Å²	33.9	12%	0.118	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-39.8	-179.5	-69.8	-30.4	0	0	0	112.8	L58 V59 G61 I65 A100 A101 A102 K108	L58-N104 PolarHBondContact O-ND2 3.26Å; V59-N104 PolarHBondContact O-ND2 2.86Å; G61-N104 VanDerWaalsContact CA-ND2 3.26Å; G61-N104 WeakPolarHBondContact CA-ND2 3.33Å; G61-N104 PolarHBondContact N-ND2 3.36Å; I65-N104 HydrophobicContact CD1-CB 3.82Å; A100-N104 VanDerWaalsContact O-CG 3.28Å; A100-N104 PolarHBondContact O-N 2.76Å; A100-N104 PolarHBondContact O-ND2 3.46Å; A101-N104 PolarHBondContact O-N 3.19Å; A102-N104 VanDerWaalsContact C-N 3.33Å; A102-N104 PolarHBondContact O-N 3.39Å; N104-K108 PolarHBondContact O-N 3.16Å
105	L	96.4	Very high	95.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-49.4	176	-69.1	-177.6	0	0	0	111.7	L58 A101 A102 K107 K108 G109 I110 F128 W132 L156	L58-L105 HydrophobicContact CD1-CD1 4.11Å; L58-L105 HydrophobicContact CD1-CD2 3.52Å; L58-L105 HydrophobicContact CD1-CG 3.73Å; A101-L105 PolarHBondContact O-N 3.06Å; A101-L105 VanDerWaalsContact O-N 3.08Å; A102-L105 PolarHBondContact O-N 2.77Å; L105-K107 VanDerWaalsContact C-N 3.32Å; L105-K107 PolarHBondContact O-N 3.39Å; L105-K108 CarbonylContact O-C 3.54Å; L105-K108 PolarHBondContact O-N 3.07Å; L105-K108 VanDerWaalsContact O-N 3.07Å; L105-G109 PolarHBondContact O-N 3.17Å; L105-G109 VanDerWaalsContact O-N 3.09Å; L105-I110 HydrophobicContact CB-CB 4.22Å; L105-I110 HydrophobicContact CD2-CB 3.91Å; L105-I110 HydrophobicContact CD2-CD1 3.8Å; L105-I110 HydrophobicContact CD2-CG1 4.48Å; L105-I110 HydrophobicContact CD2-CG2 3.83Å; L105-I110 PolarHBondContact O-N 3.38Å; L105-F128 HydrophobicContact CD1-CE1 3.72Å; L105-F128 HydrophobicContact CD1-CZ 4.09Å; L105-W132 HydrophobicContact CB-CH2 4.07Å; L105-W132 HydrophobicContact CD1-CH2 4.12Å; L105-W132 HydrophobicContact CD1-CZ3 4.12Å; L105-L156 HydrophobicContact CD1-CD1 4.33Å
106	V	95.1	Very high	96	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-41.5	179.9	173.1	0	0	0	0	111.1	A102 F103 K108 G109 W132 L136 I145 L149 H153	A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.46Å; A102-V106 PolarHBondContact O-N 3.31Å; F103-V106 PolarHBondContact O-N 2.81Å; V106-K108 PolarHBondContact O-N 3.45Å; V106-K108 VanDerWaalsContact O-N 3.16Å; V106-G109 PolarHBondContact O-N 3.35Å; V106-W132 HydrophobicContact CG2-CH2 4.03Å; V106-W132 HydrophobicContact CG2-CZ2 3.83Å; V106-L136 HydrophobicContact CG2-CD2 3.64Å; V106-I145 HydrophobicContact CG1-CG2 4.35Å; V106-L149 HydrophobicContact CG1-CD1 4.46Å; V106-L149 HydrophobicContact CG1-CD2 3.63Å; V106-L149 HydrophobicContact CG1-CG 3.65Å; V106-H153 HydrophobicContact CG2-CB 4.22Å
107	K	93.5	Very high	96	Very high	149 Å²	149	21.1 Å²	21.1	65%	0.648	11%	0.111	S	C	*	.	H	α-helix	trans	-58.4	-29	176.5	-174.9	177.9	179.8	-179	0	113.2	F103 L105	F103-K107 HydrophobicContact CE1-CD 4.38Å; F103-K107 HydrophobicContact CZ-CD 4.42Å; F103-K107 VanDerWaalsContact O-CB 3.29Å; F103-K107 WeakPolarHBondContact O-CB 3.13Å; F103-K107 PolarHBondContact O-N 2.93Å; L105-K107 VanDerWaalsContact C-N 3.32Å; L105-K107 PolarHBondContact O-N 3.39Å
108	K	93.9	Very high	95.8	Very high	85 Å²	85	21.4 Å²	21.4	37%	0.37	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.3	178.8	-65.5	-71.2	-172	170.9	0	113.2	Y49 I65 N104 L105 V106 I110	Y49-K108 HydrophobicContact CE1-CB 4.38Å; Y49-K108 HydrophobicContact CE1-CD 4.08Å; Y49-K108 PolarHBondContact OH-O 2.92Å; I65-K108 HydrophobicContact CG2-CG 4.5Å; N104-K108 PolarHBondContact O-N 3.16Å; L105-K108 CarbonylContact O-C 3.54Å; L105-K108 PolarHBondContact O-N 3.07Å; L105-K108 VanDerWaalsContact O-N 3.07Å; V106-K108 PolarHBondContact O-N 3.45Å; V106-K108 VanDerWaalsContact O-N 3.16Å; K108-I110 VanDerWaalsContact C-N 3.34Å; K108-I110 HydrophobicContact CB-CD1 3.63Å; K108-I110 HydrophobicContact CB-CG1 3.89Å; K108-I110 HydrophobicContact CG-CD1 4.41Å
109	G	93.6	Very high	95.3	Very high	25 Å²	25	22.5 Å²	22.5	26%	0.258	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	22.9	-177.4	0	0	0	0	0	114.5	A17 L105 V106 H153	A17-G109 WeakPolarHBondContact CB-O 3.46Å; L105-G109 PolarHBondContact O-N 3.17Å; L105-G109 VanDerWaalsContact O-N 3.09Å; V106-G109 PolarHBondContact O-N 3.35Å; G109-H153 WeakPolarHBondContact CA-NE2 3.04Å
110	I	95.7	Very high	94.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.			trans	-85.9	117.8	-175.2	-58.9	160.8	0	0	0	109.8	A17 A19 Y49 I65 L105 K108	A17-I110 HydrophobicContact CB-CG1 4.15Å; A19-I110 HydrophobicContact CB-CD1 4.1Å; A19-I110 HydrophobicContact CB-CG2 3.68Å; Y49-I110 HydrophobicContact CD1-CD1 4.44Å; Y49-I110 HydrophobicContact CD2-CD1 3.72Å; Y49-I110 HydrophobicContact CD2-CG1 3.66Å; Y49-I110 HydrophobicContact CE2-CD1 4.19Å; Y49-I110 HydrophobicContact CE2-CG1 3.87Å; Y49-I110 HydrophobicContact CG-CD1 3.84Å; Y49-I110 HydrophobicContact CG-CG1 4.3Å; I65-I110 HydrophobicContact CG2-CD1 3.91Å; L105-I110 HydrophobicContact CB-CB 4.22Å; L105-I110 HydrophobicContact CD2-CB 3.91Å; L105-I110 HydrophobicContact CD2-CD1 3.8Å; L105-I110 HydrophobicContact CD2-CG1 4.48Å; L105-I110 HydrophobicContact CD2-CG2 3.83Å; L105-I110 PolarHBondContact O-N 3.38Å; K108-I110 VanDerWaalsContact C-N 3.34Å; K108-I110 HydrophobicContact CB-CD1 3.63Å; K108-I110 HydrophobicContact CB-CG1 3.89Å; K108-I110 HydrophobicContact CG-CD1 4.41Å
111	T	93.3	Very high	94.7	Very high	29 Å²	29	22.9 Å²	22.9	18%	0.178	13%	0.131	C	C	.	.			trans	-119.3	-2.2	175.5	54.8	0	0	0	0	113.5	H153 N157	T111-H153 HydrophobicContact CG2-CB 4.01Å; T111-N157 PolarHBondContact O-N 3.18Å
112	N	96.2	Very high	94.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.2	-177.8	-55.1	-80.2	0	0	0	109	A17 I18 A19 N157 L324	A17-N112 WeakPolarHBondContact O-CB 3.35Å; A17-N112 PolarHBondContact O-N 3.33Å; A17-N112 PolarHBondContact O-ND2 2.81Å; I18-N112 CarbonylContact C-O 3.58Å; I18-N112 WeakPolarHBondContact CA-O 3.44Å; I18-N112 HydrophobicContact CB-CB 4.46Å; I18-N112 HydrophobicContact CG1-CB 3.96Å; A19-N112 PolarHBondContact N-O 2.73Å; N112-N157 WeakPolarHBondContact OD1-CB 3.24Å; N112-N157 PolarHBondContact OD1-ND2 2.94Å; N112-L324 HydrophobicContact CB-CB 4.28Å; N112-L324 HydrophobicContact CB-CD1 4.25Å; N112-L324 HydrophobicContact CB-CD2 4.04Å; N112-L324 HydrophobicContact CB-CG 4.42Å; N112-L324 PolarHBondContact OD1-O 3.01Å
113	L	97.4	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.9	-175.2	-175.3	66.6	0	0	0	110.7	A19 L21 I51 V115 L156 N157 I158 V159	A19-L113 HydrophobicContact CB-CD1 4.01Å; L21-L113 HydrophobicContact CD2-CD1 4.15Å; I51-L113 HydrophobicContact CD1-CD1 3.74Å; L113-V115 HydrophobicContact CD2-CG2 3.9Å; L113-V115 HydrophobicContact CG-CG2 3.86Å; L113-L156 HydrophobicContact CB-CD1 4.38Å; L113-N157 PolarHBondContact N-O 2.81Å; L113-I158 HydrophobicContact CB-CG1 4.36Å; L113-I158 HydrophobicContact CD2-CD1 4.5Å; L113-I158 WeakPolarHBondContact O-CA 3.21Å; L113-V159 PolarHBondContact O-N 2.91Å
114	C	98.1	Very high	94	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.3	170.6	-177.9	0	0	0	0	109.4	A19 V20 L21 V37 V159 L324	A19-C114 PolarHBondContact O-N 3.07Å; V20-C114 WeakPolarHBondContact CA-O 3.44Å; V20-C114 HydrophobicContact CB-CB 4.3Å; V20-C114 HydrophobicContact CG2-CB 4.25Å; L21-C114 PolarHBondContact N-O 2.93Å; L21-C114 VanDerWaalsContact N-O 3.08Å; V37-C114 HydrophobicContact CG1-CB 4.21Å; C114-V159 WeakPolarHBondContact CA-O 3.29Å; C114-L324 HydrophobicContact CB-CD1 4.19Å
115	V	97.9	Very high	93.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.4	179.3	-179.8	0	0	0	0	109.2	L21 L113 L122 A125 V159 G160 L161	L21-V115 HydrophobicContact CD1-CG1 3.88Å; L21-V115 HydrophobicContact CD1-CG2 4.44Å; L21-V115 HydrophobicContact CD2-CG2 4.4Å; L21-V115 HydrophobicContact CG-CG1 4.48Å; L21-V115 HydrophobicContact CG-CG2 4.22Å; L113-V115 HydrophobicContact CD2-CG2 3.9Å; L113-V115 HydrophobicContact CG-CG2 3.86Å; V115-L122 HydrophobicContact CB-CD2 4.35Å; V115-L122 HydrophobicContact CG1-CD2 4.25Å; V115-A125 HydrophobicContact CB-CB 4.4Å; V115-A125 HydrophobicContact CG2-CB 3.9Å; V115-V159 PolarHBondContact N-O 2.92Å; V115-G160 CarbonylContact O-C 3.56Å; V115-G160 WeakPolarHBondContact O-CA 3.36Å; V115-L161 PolarHBondContact O-N 3Å
116	C	97.6	Very high	93.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.2	172.6	-175.3	0	0	0	0	110.4	L21 T22 S23 L161	L21-C116 PolarHBondContact O-N 3.3Å; T22-C116 CarbonylContact C-O 3.57Å; T22-C116 VanDerWaalsContact CA-O 3.27Å; T22-C116 WeakPolarHBondContact CA-O 3.39Å; T22-C116 HydrophobicContact CG2-CB 4.08Å; S23-C116 PolarHBondContact N-O 3.47Å; C116-L161 CarbonylContact C-O 3.38Å; C116-L161 VanDerWaalsContact CA-O 3.3Å; C116-L161 WeakPolarHBondContact CA-O 3.48Å; C116-L161 HydrophobicContact CB-CB 4.04Å
117	G	94.5	Very high	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-173.2	-177.1	0	0	0	0	0	114.1	S23 L161 V162 G163	S23-G117 WeakPolarHBondContact O-CA 3.45Å; G117-L161 PolarHBondContact N-O 3.09Å; G117-V162 WeakPolarHBondContact O-CA 3.41Å; G117-G163 CarbonylContact C-O 3.5Å; G117-G163 PolarHBondContact O-N 3.4Å
118	G	91.6	Very high	93.6	Very high	11 Å²	11	19.2 Å²	19.2	11%	0.113	13%	0.125	C	C	.	.			trans	-77.1	179.2	176.2	0	0	0	0	0	114	G120 S121 L122 G163	G118-G120 VanDerWaalsContact C-N 3.31Å; G118-G120 PolarHBondContact O-N 3.01Å; G118-S121 WeakPolarHBondContact O-CB 3.13Å; G118-S121 PolarHBondContact O-N 3.18Å; G118-L122 WeakPolarHBondContact O-CG 3.47Å; G118-L122 PolarHBondContact O-N 3.39Å; G118-L122 VanDerWaalsContact O-N 3.14Å; G118-G163 PolarHBondContact N-O 3.46Å
119	D	86.6	Confident	93.6	Very high	52 Å²	52	17.6 Å²	17.6	28%	0.278	12%	0.116	S	C	.	.	H	α-helix	trans	-46.3	-46.5	178.7	69.1	-42.7	0	0	0	114.3	S121 L122 T123 F169 R210	D119-S121 PolarHBondContact O-N 3.05Å; D119-L122 PolarHBondContact O-N 3.29Å; D119-T123 WeakPolarHBondContact O-CB 3.26Å; D119-T123 PolarHBondContact O-N 2.72Å; D119-T123 PolarHBondContact O-OG1 2.77Å; D119-F169 HydrophobicContact CB-CD2 4.18Å; D119-F169 HydrophobicContact CB-CE2 4.4Å; D119-R210 IonicContact OD1-NH1 3.11Å; D119-R210 PolarHBondContact OD1-NH1 2.9Å
120	G	88.1	Confident	93.6	Very high	47 Å²	47	20.2 Å²	20.2	49%	0.485	13%	0.131	S	C	.	.	H	α-helix	trans	-64.7	-39.7	179.7	0	0	0	0	0	113.2	G118 G124	G118-G120 VanDerWaalsContact C-N 3.31Å; G118-G120 PolarHBondContact O-N 3.01Å; G120-G124 PolarHBondContact O-N 2.85Å
121	S	92.6	Very high	93.5	Very high	11 Å²	11	22.6 Å²	22.6	8%	0.077	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-41.5	177.4	-64.1	0	0	0	0	111.5	S23 Y55 G118 D119 G124 A125	S23-S121 VanDerWaalsContact CB-OG 3.28Å; S23-S121 WeakPolarHBondContact CB-OG 3.39Å; S23-S121 PolarHBondContact O-OG 2.72Å; S23-S121 PolarHBondContact OG-OG 3.38Å; Y55-S121 PolarHBondContact OH-O 3.17Å; G118-S121 WeakPolarHBondContact O-CB 3.13Å; G118-S121 PolarHBondContact O-N 3.18Å; D119-S121 PolarHBondContact O-N 3.05Å; S121-G124 PolarHBondContact O-N 2.79Å; S121-A125 PolarHBondContact O-N 3.32Å
122	L	92.4	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.1	-39.5	179.2	-65.5	-178.1	0	0	0	112	V115 G118 D119 A125 N126 G160 V162 F169 V335 L348	V115-L122 HydrophobicContact CB-CD2 4.35Å; V115-L122 HydrophobicContact CG1-CD2 4.25Å; G118-L122 WeakPolarHBondContact O-CG 3.47Å; G118-L122 PolarHBondContact O-N 3.39Å; G118-L122 VanDerWaalsContact O-N 3.14Å; D119-L122 PolarHBondContact O-N 3.29Å; L122-A125 WeakPolarHBondContact O-CB 3.25Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-N126 PolarHBondContact O-N 2.94Å; L122-N126 VanDerWaalsContact O-N 3.12Å; L122-G160 VanDerWaalsContact CD2-CA 3.43Å; L122-V162 HydrophobicContact CD1-CG2 4.01Å; L122-F169 HydrophobicContact CD1-CE2 3.94Å; L122-F169 HydrophobicContact CD1-CZ 3.99Å; L122-V335 HydrophobicContact CD1-CG2 4.07Å; L122-L348 HydrophobicContact CB-CD1 3.93Å; L122-L348 HydrophobicContact CD2-CD1 4.38Å
123	T	90.3	Very high	93.5	Very high	30 Å²	30	24.9 Å²	24.9	18%	0.184	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-45.3	173.5	-55.7	0	0	0	0	111.2	D119 A125 N126 I127	D119-T123 WeakPolarHBondContact O-CB 3.26Å; D119-T123 PolarHBondContact O-N 2.72Å; D119-T123 PolarHBondContact O-OG1 2.77Å; T123-A125 VanDerWaalsContact C-N 3.27Å; T123-A125 PolarHBondContact O-N 2.85Å; T123-N126 PolarHBondContact O-N 3.05Å; T123-I127 HydrophobicContact CG2-CD1 4.29Å; T123-I127 WeakPolarHBondContact O-CG1 3.46Å; T123-I127 PolarHBondContact O-N 3.32Å; T123-I127 VanDerWaalsContact O-N 3.1Å
124	G	92.1	Very high	93.3	Very high	17 Å²	17	26 Å²	26	18%	0.175	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-36.8	175.7	0	0	0	0	0	112.9	G120 S121 I127 F128	G120-G124 PolarHBondContact O-N 2.85Å; S121-G124 PolarHBondContact O-N 2.79Å; G124-I127 PolarHBondContact O-N 2.83Å; G124-F128 WeakPolarHBondContact O-CB 3.44Å; G124-F128 PolarHBondContact O-N 3.41Å
125	A	93.6	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-46.4	175.5	0	0	0	0	0	110.7	Y55 V115 S121 L122 T123 I127 F128 R129 I158	Y55-A125 WeakPolarHBondContact OH-CA 3.29Å; Y55-A125 WeakPolarHBondContact OH-CB 3.38Å; Y55-A125 PolarHBondContact OH-N 2.93Å; Y55-A125 VanDerWaalsContact OH-N 3.09Å; V115-A125 HydrophobicContact CB-CB 4.4Å; V115-A125 HydrophobicContact CG2-CB 3.9Å; S121-A125 PolarHBondContact O-N 3.32Å; L122-A125 WeakPolarHBondContact O-CB 3.25Å; L122-A125 PolarHBondContact O-N 2.88Å; T123-A125 VanDerWaalsContact C-N 3.27Å; T123-A125 PolarHBondContact O-N 2.85Å; A125-I127 PolarHBondContact O-N 2.87Å; A125-F128 WeakPolarHBondContact O-CB 3.42Å; A125-F128 PolarHBondContact O-N 3.34Å; A125-R129 PolarHBondContact O-N 3.14Å; A125-I158 HydrophobicContact CB-CD1 3.94Å; A125-I158 HydrophobicContact CB-CG2 3.91Å; A125-I158 WeakPolarHBondContact O-CD1 3.39Å
126	N	92	Very high	93	Very high	20 Å²	20	26.1 Å²	26.1	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-39.1	-179.6	-168.4	62.7	0	0	0	113.9	L122 T123 F128 R129 S130 L348 M349	L122-N126 PolarHBondContact O-N 2.94Å; L122-N126 VanDerWaalsContact O-N 3.12Å; T123-N126 PolarHBondContact O-N 3.05Å; N126-F128 VanDerWaalsContact C-N 3.3Å; N126-R129 PolarHBondContact O-N 3.22Å; N126-S130 WeakPolarHBondContact O-CB 3.44Å; N126-S130 PolarHBondContact O-N 3.22Å; N126-S130 PolarHBondContact O-OG 3.26Å; N126-L348 HydrophobicContact CB-CD2 3.54Å; N126-M349 HydrophobicContact CB-SD 4.16Å; N126-M349 WeakPolarHBondContact ND2-CG 3.38Å; N126-M349 PolarHBondContact ND2-SD 2.85Å
127	I	93.3	Very high	92.9	Very high	74 Å²	74	30.6 Å²	30.6	38%	0.379	19%	0.194	S	C	.	.	H	α-helix	trans	-59.6	-47.3	173.5	-66.9	168	0	0	0	109	T123 G124 A125 R129 S130 E131	T123-I127 HydrophobicContact CG2-CD1 4.29Å; T123-I127 WeakPolarHBondContact O-CG1 3.46Å; T123-I127 PolarHBondContact O-N 3.32Å; T123-I127 VanDerWaalsContact O-N 3.1Å; G124-I127 PolarHBondContact O-N 2.83Å; A125-I127 PolarHBondContact O-N 2.87Å; I127-R129 VanDerWaalsContact C-N 3.33Å; I127-R129 PolarHBondContact O-N 2.87Å; I127-S130 PolarHBondContact O-N 3.01Å; I127-E131 HydrophobicContact CG2-CG 4.36Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.41Å; I127-E131 VanDerWaalsContact O-CB 3.27Å; I127-E131 WeakPolarHBondContact O-CB 3.41Å; I127-E131 WeakPolarHBondContact O-CG 3.45Å; I127-E131 PolarHBondContact O-N 3.24Å
128	F	95.3	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-40.2	179.3	-175	-126.7	0	0	0	113.3	L58 F92 R98 A101 A102 L105 G124 A125 N126 W132 L135 L156	L58-F128 HydrophobicContact CD2-CE1 4.35Å; F92-F128 HydrophobicContact CE1-CB 4.3Å; F92-F128 HydrophobicContact CE2-CD2 4.11Å; F92-F128 HydrophobicContact CE2-CE2 4.18Å; F92-F128 HydrophobicContact CE2-CG 4.34Å; F92-F128 HydrophobicContact CE2-CZ 4.46Å; F92-F128 HydrophobicContact CZ-CB 3.84Å; F92-F128 HydrophobicContact CZ-CD1 4.04Å; F92-F128 AromaticContact CZ-CD2 3.79Å; F92-F128 HydrophobicContact CZ-CD2 3.79Å; F92-F128 HydrophobicContact CZ-CE2 4.28Å; F92-F128 AromaticContact CZ-CG 3.64Å; F92-F128 HydrophobicContact CZ-CG 3.64Å; R98-F128 HydrophobicContact CB-CD2 4.05Å; R98-F128 HydrophobicContact CB-CE2 4.14Å; R98-F128 HydrophobicContact CG-CD2 4.17Å; R98-F128 WeakPolarHBondContact O-CE2 3.3Å; A101-F128 HydrophobicContact CB-CE2 4.11Å; A101-F128 HydrophobicContact CB-CZ 3.9Å; A102-F128 HydrophobicContact CB-CE2 4.17Å; A102-F128 HydrophobicContact CB-CZ 4.18Å; L105-F128 HydrophobicContact CD1-CE1 3.72Å; L105-F128 HydrophobicContact CD1-CZ 4.09Å; G124-F128 WeakPolarHBondContact O-CB 3.44Å; G124-F128 PolarHBondContact O-N 3.41Å; A125-F128 WeakPolarHBondContact O-CB 3.42Å; A125-F128 PolarHBondContact O-N 3.34Å; N126-F128 VanDerWaalsContact C-N 3.3Å; F128-W132 HydrophobicContact CE1-CE3 4.23Å; F128-W132 AromaticContact CE1-CZ3 3.85Å; F128-W132 HydrophobicContact CE1-CZ3 3.85Å; F128-W132 HydrophobicContact CE2-CE3 4.34Å; F128-W132 HydrophobicContact CE2-CZ3 4.22Å; F128-W132 HydrophobicContact CZ-CE3 4.03Å; F128-W132 AromaticContact CZ-CZ3 3.56Å; F128-W132 HydrophobicContact CZ-CZ3 3.56Å; F128-W132 PolarHBondContact O-N 3.47Å; F128-L135 HydrophobicContact CD2-CD1 3.74Å; F128-L135 HydrophobicContact CE2-CD1 3.66Å; F128-L156 HydrophobicContact CD1-CD2 3.58Å; F128-L156 HydrophobicContact CE1-CD2 3.71Å; F128-L156 HydrophobicContact CG-CD2 4.48Å
129	R	94	Very high	93	Very high	51 Å²	51	32.5 Å²	32.5	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-46.4	173.2	173.8	175.6	-179.2	-93.2	-5	113	A125 N126 I127 E131 W132 L156 I158 T331	A125-R129 PolarHBondContact O-N 3.14Å; N126-R129 PolarHBondContact O-N 3.22Å; I127-R129 VanDerWaalsContact C-N 3.33Å; I127-R129 PolarHBondContact O-N 2.87Å; R129-E131 PolarHBondContact O-N 3Å; R129-W132 WeakPolarHBondContact O-CB 3.5Å; R129-W132 PolarHBondContact O-N 3.12Å; R129-L156 HydrophobicContact CB-CD2 4.49Å; R129-L156 VanDerWaalsContact CD-O 3.31Å; R129-L156 WeakPolarHBondContact CD-O 3.27Å; R129-L156 WeakPolarHBondContact CG-O 3.25Å; R129-L156 PolarHBondContact NE-O 3.03Å; R129-L156 VanDerWaalsContact NE-O 3.16Å; R129-I158 HydrophobicContact CB-CD1 3.55Å; R129-I158 HydrophobicContact CB-CG1 4.06Å; R129-T331 PolarHBondContact NH2-O 3.06Å
130	S	92.3	Very high	93.4	Very high	81 Å²	81	32.2 Å²	32.2	57%	0.566	20%	0.2	S	C	*	.	H	α-helix	trans	-63	-34.2	-179.6	-57.7	0	0	0	0	111.7	N126 I127 W132	N126-S130 WeakPolarHBondContact O-CB 3.44Å; N126-S130 PolarHBondContact O-N 3.22Å; N126-S130 PolarHBondContact O-OG 3.26Å; I127-S130 PolarHBondContact O-N 3.01Å; S130-W132 VanDerWaalsContact C-N 3.33Å
131	E	94.9	Very high	93.6	Very high	50 Å²	50	37.8 Å²	37.8	23%	0.234	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.3	178.9	-81.1	-171	-161.8	0	0	114.3	R95 R98 I127 R129 S133 G134 L135	R95-E131 IonicContact CZ-OE2 2.98Å; R95-E131 VanDerWaalsContact NH1-CG 3.29Å; R95-E131 IonicContact NH1-OE2 3.8Å; R95-E131 PolarHBondContact NH1-OE2 3.13Å; R98-E131 IonicContact CZ-OE1 3.29Å; R98-E131 IonicContact CZ-OE2 2.75Å; R98-E131 VanDerWaalsContact CZ-OE2 3.27Å; R98-E131 IonicContact NE-OE1 2.96Å; R98-E131 IonicContact NE-OE2 2.66Å; R98-E131 PolarHBondContact NE-OE2 3.31Å; R98-E131 IonicContact NH2-OE1 2.68Å; R98-E131 PolarHBondContact NH2-OE1 3.47Å; R98-E131 IonicContact NH2-OE2 3.9Å; R98-E131 PolarHBondContact NH2-OE2 2.9Å; I127-E131 HydrophobicContact CG2-CG 4.36Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.41Å; I127-E131 VanDerWaalsContact O-CB 3.27Å; I127-E131 WeakPolarHBondContact O-CB 3.41Å; I127-E131 WeakPolarHBondContact O-CG 3.45Å; I127-E131 PolarHBondContact O-N 3.24Å; R129-E131 PolarHBondContact O-N 3Å; E131-S133 PolarHBondContact O-N 2.86Å; E131-G134 PolarHBondContact O-N 2.78Å; E131-L135 HydrophobicContact CB-CD1 4.17Å; E131-L135 HydrophobicContact CB-CG 4.34Å; E131-L135 VanDerWaalsContact O-CG 3.32Å; E131-L135 WeakPolarHBondContact O-CG 3.5Å; E131-L135 PolarHBondContact O-N 2.97Å
132	W	95.1	Very high	93.6	Very high	4 Å²	4	43 Å²	43	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-56.3	-49.5	-165.3	-174.9	-106	0	0	0	114.3	A102 L105 V106 F128 R129 S130 G134 L135 L136 H153 L156	A102-W132 HydrophobicContact CB-CE3 4.18Å; A102-W132 HydrophobicContact CB-CH2 4.09Å; A102-W132 HydrophobicContact CB-CZ3 3.6Å; L105-W132 HydrophobicContact CB-CH2 4.07Å; L105-W132 HydrophobicContact CD1-CH2 4.12Å; L105-W132 HydrophobicContact CD1-CZ3 4.12Å; V106-W132 HydrophobicContact CG2-CH2 4.03Å; V106-W132 HydrophobicContact CG2-CZ2 3.83Å; F128-W132 HydrophobicContact CE1-CE3 4.23Å; F128-W132 AromaticContact CE1-CZ3 3.85Å; F128-W132 HydrophobicContact CE1-CZ3 3.85Å; F128-W132 HydrophobicContact CE2-CE3 4.34Å; F128-W132 HydrophobicContact CE2-CZ3 4.22Å; F128-W132 HydrophobicContact CZ-CE3 4.03Å; F128-W132 AromaticContact CZ-CZ3 3.56Å; F128-W132 HydrophobicContact CZ-CZ3 3.56Å; F128-W132 PolarHBondContact O-N 3.47Å; R129-W132 WeakPolarHBondContact O-CB 3.5Å; R129-W132 PolarHBondContact O-N 3.12Å; S130-W132 VanDerWaalsContact C-N 3.33Å; W132-G134 PolarHBondContact O-N 3.49Å; W132-L135 WeakPolarHBondContact O-CB 3.34Å; W132-L135 PolarHBondContact O-N 3.4Å; W132-L135 VanDerWaalsContact O-N 3.13Å; W132-L136 HydrophobicContact CZ2-CD2 4.2Å; W132-L136 WeakPolarHBondContact O-CG 3.43Å; W132-L136 PolarHBondContact O-N 3.11Å; W132-H153 PolarHBondContact NE1-O 3.41Å; W132-L156 HydrophobicContact CB-CB 4.34Å; W132-L156 HydrophobicContact CD2-CB 3.63Å; W132-L156 HydrophobicContact CD2-CD2 4.2Å; W132-L156 HydrophobicContact CD2-CG 4.41Å; W132-L156 HydrophobicContact CE3-CB 4.04Å; W132-L156 HydrophobicContact CE3-CD2 3.71Å; W132-L156 HydrophobicContact CE3-CG 4.33Å; W132-L156 HydrophobicContact CG-CB 3.76Å; W132-L156 HydrophobicContact CH2-CD1 4.34Å; W132-L156 HydrophobicContact CZ2-CB 4.46Å; W132-L156 HydrophobicContact CZ3-CD1 4.39Å; W132-L156 HydrophobicContact CZ3-CD2 3.98Å
133	S	93	Very high	93.5	Very high	75 Å²	75	46.2 Å²	46.2	52%	0.524	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-49	-179.7	49.3	0	0	0	0	111.8	E131 L135 L136 D137	E131-S133 PolarHBondContact O-N 2.86Å; S133-L135 VanDerWaalsContact C-N 3.28Å; S133-L135 PolarHBondContact O-N 3.23Å; S133-L136 WeakPolarHBondContact O-CB 3.39Å; S133-L136 PolarHBondContact O-N 3.42Å; S133-L136 VanDerWaalsContact O-N 3.1Å; S133-D137 PolarHBondContact O-N 3.2Å
134	G	94.3	Very high	93.6	Very high	22 Å²	22	52.5 Å²	52.5	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-31.8	177.4	0	0	0	0	0	113.2	R95 E131 W132 L136 E138	R95-G134 PolarHBondContact NH2-O 3.13Å; E131-G134 PolarHBondContact O-N 2.78Å; W132-G134 PolarHBondContact O-N 3.49Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-E138 WeakPolarHBondContact O-CG 3.3Å; G134-E138 PolarHBondContact O-N 3.15Å; G134-E138 VanDerWaalsContact O-N 3.15Å
135	L	95.6	Very high	93.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-38.9	174.3	-66.1	169.8	0	0	0	111.2	R98 I99 A102 F128 E131 W132 S133 L139	R98-L135 HydrophobicContact CB-CD1 4.13Å; R98-L135 HydrophobicContact CB-CD2 4.05Å; I99-L135 HydrophobicContact CB-CD2 4.42Å; I99-L135 HydrophobicContact CG1-CD2 3.47Å; I99-L135 VanDerWaalsContact CG1-CD2 3.47Å; A102-L135 HydrophobicContact CB-CB 4.14Å; A102-L135 HydrophobicContact CB-CD1 4.29Å; F128-L135 HydrophobicContact CD2-CD1 3.74Å; F128-L135 HydrophobicContact CE2-CD1 3.66Å; E131-L135 HydrophobicContact CB-CD1 4.17Å; E131-L135 HydrophobicContact CB-CG 4.34Å; E131-L135 VanDerWaalsContact O-CG 3.32Å; E131-L135 WeakPolarHBondContact O-CG 3.5Å; E131-L135 PolarHBondContact O-N 2.97Å; W132-L135 WeakPolarHBondContact O-CB 3.34Å; W132-L135 PolarHBondContact O-N 3.4Å; W132-L135 VanDerWaalsContact O-N 3.13Å; S133-L135 VanDerWaalsContact C-N 3.28Å; S133-L135 PolarHBondContact O-N 3.23Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 3.25Å; L135-L139 VanDerWaalsContact O-N 3.12Å
136	L	94.4	Very high	93.5	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-68.4	-42.5	176.3	-63.1	-176	0	0	0	111.9	V106 W132 S133 G134 E138 L139 V140 I145 A150 H153	V106-L136 HydrophobicContact CG2-CD2 3.64Å; W132-L136 HydrophobicContact CZ2-CD2 4.2Å; W132-L136 WeakPolarHBondContact O-CG 3.43Å; W132-L136 PolarHBondContact O-N 3.11Å; S133-L136 WeakPolarHBondContact O-CB 3.39Å; S133-L136 PolarHBondContact O-N 3.42Å; S133-L136 VanDerWaalsContact O-N 3.1Å; G134-L136 VanDerWaalsContact C-N 3.34Å; L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 PolarHBondContact O-N 2.93Å; L136-L139 HydrophobicContact CD2-CD1 4.36Å; L136-L139 WeakPolarHBondContact O-CB 3.22Å; L136-L139 PolarHBondContact O-N 3.37Å; L136-L139 VanDerWaalsContact O-N 3.07Å; L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 3.07Å; L136-I145 HydrophobicContact CD2-CD1 3.97Å; L136-A150 HydrophobicContact CB-CB 4.31Å; L136-H153 WeakPolarHBondContact CD1-O 3.46Å
137	D	94.2	Very high	93.5	Very high	93 Å²	93	59.6 Å²	59.6	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-57.9	-45	177.3	-66.2	-25.6	0	0	0	111	S133 L139 V140 Q141	S133-D137 PolarHBondContact O-N 3.2Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 2.91Å; D137-V140 PolarHBondContact O-N 2.92Å; D137-Q141 VanDerWaalsContact O-CG 3.3Å; D137-Q141 WeakPolarHBondContact O-CG 3.3Å; D137-Q141 PolarHBondContact O-N 2.96Å
138	E	94.6	Very high	93.3	Very high	50 Å²	50	60.3 Å²	60.3	23%	0.234	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-36.9	175.4	-73.3	-174.3	-116.4	0	0	112.8	R95 I99 G134 L136 V140 Q141 K142	R95-E138 IonicContact CZ-OE1 2.64Å; R95-E138 IonicContact NE-OE1 2.8Å; R95-E138 PolarHBondContact NE-OE1 2.85Å; R95-E138 IonicContact NH2-OE1 3.67Å; R95-E138 PolarHBondContact NH2-OE1 3.43Å; I99-E138 HydrophobicContact CD1-CB 4.42Å; I99-E138 WeakPolarHBondContact CD1-OE2 3.45Å; G134-E138 WeakPolarHBondContact O-CG 3.3Å; G134-E138 PolarHBondContact O-N 3.15Å; G134-E138 VanDerWaalsContact O-N 3.15Å; L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 PolarHBondContact O-N 2.93Å; E138-V140 VanDerWaalsContact C-N 3.35Å; E138-Q141 PolarHBondContact O-N 2.96Å; E138-K142 WeakPolarHBondContact O-CB 3.33Å; E138-K142 VanDerWaalsContact O-CG 3.27Å; E138-K142 WeakPolarHBondContact O-CG 3.47Å; E138-K142 PolarHBondContact O-N 2.91Å; E138-K142 IonicContact OE2-NZ 2.64Å; E138-K142 PolarHBondContact OE2-NZ 3.38Å
139	L	94.1	Very high	93.1	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-35.5	176.4	-75.4	169.1	0	0	0	112.2	I99 A102 F103 L135 L136 D137 G143 R144 I145	I99-L139 HydrophobicContact CG2-CD2 3.5Å; I99-L139 VanDerWaalsContact CG2-CD2 3.5Å; I99-L139 HydrophobicContact CG2-CG 3.93Å; A102-L139 HydrophobicContact CB-CD1 4.1Å; F103-L139 HydrophobicContact CB-CD1 4.06Å; F103-L139 HydrophobicContact CB-CD2 3.87Å; F103-L139 HydrophobicContact CD2-CD2 4.26Å; F103-L139 HydrophobicContact CG-CD2 4.43Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 3.25Å; L135-L139 VanDerWaalsContact O-N 3.12Å; L136-L139 HydrophobicContact CD2-CD1 4.36Å; L136-L139 WeakPolarHBondContact O-CB 3.22Å; L136-L139 PolarHBondContact O-N 3.37Å; L136-L139 VanDerWaalsContact O-N 3.07Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 2.91Å; L139-G143 PolarHBondContact O-N 3.45Å; L139-R144 HydrophobicContact CD2-CB 3.9Å; L139-R144 HydrophobicContact CD2-CG 4.26Å; L139-R144 PolarHBondContact O-N 2.74Å; L139-I145 HydrophobicContact CB-CD1 3.63Å; L139-I145 HydrophobicContact CB-CG1 3.73Å; L139-I145 HydrophobicContact CD1-CD1 4.19Å; L139-I145 PolarHBondContact O-N 3.48Å
140	V	94.5	Very high	92.8	Very high	46 Å²	46	60.7 Å²	60.7	28%	0.279	34%	0.34	S	S	.	.	H	α-helix	trans	-67.8	-47.3	173.3	174.1	0	0	0	0	110.2	L136 D137 E138 K142 G143 I145 A150	L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 3.07Å; D137-V140 PolarHBondContact O-N 2.92Å; E138-V140 VanDerWaalsContact C-N 3.35Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 3.41Å; V140-G143 PolarHBondContact O-N 2.91Å; V140-I145 HydrophobicContact CG2-CD1 4.16Å; V140-I145 HydrophobicContact CG2-CG1 3.74Å; V140-A150 HydrophobicContact CG2-CB 3.75Å
141	Q	93.4	Very high	92.7	Very high	163 Å²	163	63.2 Å²	63.2	76%	0.762	34%	0.341	S	S	*	.	H	α-helix	trans	-59.1	-38.2	177.2	-72.6	173.8	13.3	0	0	112.5	D137 E138 G143	D137-Q141 VanDerWaalsContact O-CG 3.3Å; D137-Q141 WeakPolarHBondContact O-CG 3.3Å; D137-Q141 PolarHBondContact O-N 2.96Å; E138-Q141 PolarHBondContact O-N 2.96Å; Q141-G143 PolarHBondContact O-N 2.75Å
142	K	92.2	Very high	92.3	Very high	122 Å²	122	67 Å²	67	53%	0.53	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.9	176.2	-70.2	169.4	179.6	162.8	0	113.5	E138 V140 R144	E138-K142 WeakPolarHBondContact O-CB 3.33Å; E138-K142 VanDerWaalsContact O-CG 3.27Å; E138-K142 WeakPolarHBondContact O-CG 3.47Å; E138-K142 PolarHBondContact O-N 2.91Å; E138-K142 IonicContact OE2-NZ 2.64Å; E138-K142 PolarHBondContact OE2-NZ 3.38Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 3.41Å; K142-R144 HydrophobicContact CB-CG 3.95Å; K142-R144 PolarHBondContact O-N 3.32Å
143	G	90.9	Very high	92.1	Very high	66 Å²	66	67.9 Å²	67.9	68%	0.68	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	20.9	-179.4	0	0	0	0	0	114.2	L139 V140 Q141	L139-G143 PolarHBondContact O-N 3.45Å; V140-G143 PolarHBondContact O-N 2.91Å; Q141-G143 PolarHBondContact O-N 2.75Å
144	R	91.6	Very high	91.9	Very high	163 Å²	163	68.6 Å²	68.6	62%	0.615	36%	0.36	S	S	*	.	S	Bend	trans	-84.1	-30.3	-177.8	-60.2	-71	-88.5	-157.4	-7.4	111.9	F103 L139 K142	F103-R144 HydrophobicContact CD2-CB 4.11Å; F103-R144 HydrophobicContact CE2-CB 4.11Å; F103-R144 WeakPolarHBondContact CE2-O 3.42Å; L139-R144 HydrophobicContact CD2-CB 3.9Å; L139-R144 HydrophobicContact CD2-CG 4.26Å; L139-R144 PolarHBondContact O-N 2.74Å; K142-R144 HydrophobicContact CB-CG 3.95Å; K142-R144 PolarHBondContact O-N 3.32Å
145	I	93.1	Very high	91.7	Very high	16 Å²	16	70 Å²	70	8%	0.082	36%	0.363	C	S	.	.	S	Bend	trans	-134.5	159.1	174.8	68.8	-178.4	0	0	0	110.1	F103 V106 L136 L139 V140 L149 A150	F103-I145 HydrophobicContact CD2-CG2 3.87Å; F103-I145 HydrophobicContact CE2-CG2 4.14Å; V106-I145 HydrophobicContact CG1-CG2 4.35Å; L136-I145 HydrophobicContact CD2-CD1 3.97Å; L139-I145 HydrophobicContact CB-CD1 3.63Å; L139-I145 HydrophobicContact CB-CG1 3.73Å; L139-I145 HydrophobicContact CD1-CD1 4.19Å; L139-I145 PolarHBondContact O-N 3.48Å; V140-I145 HydrophobicContact CG2-CD1 4.16Å; V140-I145 HydrophobicContact CG2-CG1 3.74Å; I145-L149 HydrophobicContact CB-CD2 4.22Å; I145-L149 HydrophobicContact CG2-CD2 4.27Å; I145-A150 HydrophobicContact CD1-CB 3.98Å
146	T	91.8	Very high	91.6	Very high	87 Å²	87	70.2 Å²	70.2	53%	0.534	36%	0.364	S	S	.	.			trans	-85.2	154.9	174.8	62.7	0	0	0	0	111.4	T148 L149 A150	T146-T148 PolarHBondContact O-N 3Å; T146-L149 PolarHBondContact O-N 3.15Å; T146-L149 WeakPolarHBondContact OG1-CB 3.48Å; T146-L149 PolarHBondContact OG1-N 3.11Å; T146-A150 PolarHBondContact O-N 3.45Å
147	D	90.3	Very high	91.6	Very high	82 Å²	82	70.8 Å²	70.8	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-37.8	174.1	178.4	70.3	0	0	0	112.1	L149 A150 K151	D147-L149 PolarHBondContact O-N 2.95Å; D147-A150 PolarHBondContact O-N 3.32Å; D147-K151 WeakPolarHBondContact O-CB 3.31Å; D147-K151 WeakPolarHBondContact O-CG 3.41Å; D147-K151 PolarHBondContact O-N 2.92Å; D147-K151 IonicContact OD1-NZ 2.75Å; D147-K151 WeakPolarHBondContact OD2-CE 3.36Å; D147-K151 IonicContact OD2-NZ 2.82Å; D147-K151 PolarHBondContact OD2-NZ 3.3Å
148	T	90.9	Very high	91.7	Very high	90 Å²	90	66.7 Å²	66.7	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-61.4	-43.2	174.8	-44.7	0	0	0	0	112	T146 K151 Q152	T146-T148 PolarHBondContact O-N 3Å; T148-K151 PolarHBondContact O-N 2.76Å; T148-Q152 WeakPolarHBondContact O-CG 3.42Å; T148-Q152 PolarHBondContact O-N 2.77Å
149	L	89.1	Confident	91.8	Very high	49 Å²	49	64.4 Å²	64.4	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-70.1	-38.3	-179.7	-169.5	67.5	0	0	0	111.3	V106 I145 T146 D147 Q152 H153	V106-L149 HydrophobicContact CG1-CD1 4.46Å; V106-L149 HydrophobicContact CG1-CD2 3.63Å; V106-L149 HydrophobicContact CG1-CG 3.65Å; I145-L149 HydrophobicContact CB-CD2 4.22Å; I145-L149 HydrophobicContact CG2-CD2 4.27Å; T146-L149 PolarHBondContact O-N 3.15Å; T146-L149 WeakPolarHBondContact OG1-CB 3.48Å; T146-L149 PolarHBondContact OG1-N 3.11Å; D147-L149 PolarHBondContact O-N 2.95Å; L149-Q152 PolarHBondContact O-N 2.83Å; L149-H153 VanDerWaalsContact CD1-CE1 3.49Å; L149-H153 WeakPolarHBondContact CD1-CE1 3.4Å; L149-H153 PolarHBondContact O-N 2.99Å; L149-H153 PolarHBondContact O-ND1 3.1Å
150	A	88.9	Confident	91.9	Very high	9 Å²	9	64.3 Å²	64.3	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-44.9	173.2	0	0	0	0	0	111.5	L136 V140 I145 T146 D147 Q152 H153 N154	L136-A150 HydrophobicContact CB-CB 4.31Å; V140-A150 HydrophobicContact CG2-CB 3.75Å; I145-A150 HydrophobicContact CD1-CB 3.98Å; T146-A150 PolarHBondContact O-N 3.45Å; D147-A150 PolarHBondContact O-N 3.32Å; A150-Q152 PolarHBondContact O-N 2.88Å; A150-H153 CarbonylContact O-C 3.54Å; A150-H153 PolarHBondContact O-N 2.89Å; A150-N154 WeakPolarHBondContact O-CA 3.34Å; A150-N154 PolarHBondContact O-N 3.46Å
151	K	89.3	Confident	92.1	Very high	135 Å²	135	62.2 Å²	62.2	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-37.4	176.8	-76.2	172.2	178	163.5	0	113.4	D147 T148 H153	D147-K151 WeakPolarHBondContact O-CB 3.31Å; D147-K151 WeakPolarHBondContact O-CG 3.41Å; D147-K151 PolarHBondContact O-N 2.92Å; D147-K151 IonicContact OD1-NZ 2.75Å; D147-K151 WeakPolarHBondContact OD2-CE 3.36Å; D147-K151 IonicContact OD2-NZ 2.82Å; D147-K151 PolarHBondContact OD2-NZ 3.3Å; T148-K151 PolarHBondContact O-N 2.76Å; K151-H153 VanDerWaalsContact C-N 3.26Å; K151-H153 PolarHBondContact O-N 3Å
152	Q	87.4	Confident	92.2	Very high	129 Å²	129	54.6 Å²	54.6	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-66.8	-26.3	176.2	-75.1	174.1	-6.8	0	0	113.3	T148 L149 A150	T148-Q152 WeakPolarHBondContact O-CG 3.42Å; T148-Q152 PolarHBondContact O-N 2.77Å; L149-Q152 PolarHBondContact O-N 2.83Å; A150-Q152 PolarHBondContact O-N 2.88Å
153	H	90	Very high	92.4	Very high	23 Å²	23	48.9 Å²	48.9	11%	0.106	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	28.4	-175.5	-55.1	82.8	0	0	0	111.8	V106 G109 T111 W132 L136 L149 A150 K151 N155	V106-H153 HydrophobicContact CG2-CB 4.22Å; G109-H153 WeakPolarHBondContact CA-NE2 3.04Å; T111-H153 HydrophobicContact CG2-CB 4.01Å; W132-H153 PolarHBondContact NE1-O 3.41Å; L136-H153 WeakPolarHBondContact CD1-O 3.46Å; L149-H153 VanDerWaalsContact CD1-CE1 3.49Å; L149-H153 WeakPolarHBondContact CD1-CE1 3.4Å; L149-H153 PolarHBondContact O-N 2.99Å; L149-H153 PolarHBondContact O-ND1 3.1Å; A150-H153 CarbonylContact O-C 3.54Å; A150-H153 PolarHBondContact O-N 2.89Å; K151-H153 VanDerWaalsContact C-N 3.26Å; K151-H153 PolarHBondContact O-N 3Å; H153-N155 PolarHBondContact O-N 2.8Å; H153-N155 VanDerWaalsContact O-N 3.09Å
154	N	88.6	Confident	92.6	Very high	89 Å²	89	46 Å²	46	48%	0.476	23%	0.231	S	C	.	.			trans	-64.1	-16	-171.1	64.4	-19.5	0	0	0	114.6	A150	A150-N154 WeakPolarHBondContact O-CA 3.34Å; A150-N154 PolarHBondContact O-N 3.46Å
155	N	89.9	Confident	92.8	Very high	52 Å²	52	38.2 Å²	38.2	28%	0.278	20%	0.201	S	C	.	.			trans	-124.8	132.7	-178.9	-69.9	95.3	0	0	0	111.3	H153 P329	H153-N155 PolarHBondContact O-N 2.8Å; H153-N155 VanDerWaalsContact O-N 3.09Å; N155-P329 WeakPolarHBondContact ND2-CB 3.43Å
156	L	94.1	Very high	92.9	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.198	C	C	.	.			trans	-105.8	120.5	169.3	-175.4	70.2	0	0	0	109.7	L105 L113 F128 R129 W132 I158	L105-L156 HydrophobicContact CD1-CD1 4.33Å; L113-L156 HydrophobicContact CB-CD1 4.38Å; F128-L156 HydrophobicContact CD1-CD2 3.58Å; F128-L156 HydrophobicContact CE1-CD2 3.71Å; F128-L156 HydrophobicContact CG-CD2 4.48Å; R129-L156 HydrophobicContact CB-CD2 4.49Å; R129-L156 VanDerWaalsContact CD-O 3.31Å; R129-L156 WeakPolarHBondContact CD-O 3.27Å; R129-L156 WeakPolarHBondContact CG-O 3.25Å; R129-L156 PolarHBondContact NE-O 3.03Å; R129-L156 VanDerWaalsContact NE-O 3.16Å; W132-L156 HydrophobicContact CB-CB 4.34Å; W132-L156 HydrophobicContact CD2-CB 3.63Å; W132-L156 HydrophobicContact CD2-CD2 4.2Å; W132-L156 HydrophobicContact CD2-CG 4.41Å; W132-L156 HydrophobicContact CE3-CB 4.04Å; W132-L156 HydrophobicContact CE3-CD2 3.71Å; W132-L156 HydrophobicContact CE3-CG 4.33Å; W132-L156 HydrophobicContact CG-CB 3.76Å; W132-L156 HydrophobicContact CH2-CD1 4.34Å; W132-L156 HydrophobicContact CZ2-CB 4.46Å; W132-L156 HydrophobicContact CZ3-CD1 4.39Å; W132-L156 HydrophobicContact CZ3-CD2 3.98Å; L156-I158 HydrophobicContact CD2-CD1 3.94Å; L156-I158 HydrophobicContact CD2-CG1 4.13Å; L156-I158 HydrophobicContact CG-CD1 4.46Å; L156-I158 HydrophobicContact CG-CG1 4.11Å
157	N	95.1	Very high	93	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.1	172.5	-61.8	-34.9	0	0	0	109.3	T111 N112 L113 L324 A327	T111-N157 PolarHBondContact O-N 3.18Å; N112-N157 WeakPolarHBondContact OD1-CB 3.24Å; N112-N157 PolarHBondContact OD1-ND2 2.94Å; L113-N157 PolarHBondContact N-O 2.81Å; N157-L324 HydrophobicContact CB-CD2 3.97Å; N157-A327 HydrophobicContact CB-CB 4.02Å
158	I	95.4	Very high	93	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.8	179.8	-63.5	-168.2	0	0	0	110	L113 A125 R129 L156 A333	L113-I158 HydrophobicContact CB-CG1 4.36Å; L113-I158 HydrophobicContact CD2-CD1 4.5Å; L113-I158 WeakPolarHBondContact O-CA 3.21Å; A125-I158 HydrophobicContact CB-CD1 3.94Å; A125-I158 HydrophobicContact CB-CG2 3.91Å; A125-I158 WeakPolarHBondContact O-CD1 3.39Å; R129-I158 HydrophobicContact CB-CD1 3.55Å; R129-I158 HydrophobicContact CB-CG1 4.06Å; L156-I158 HydrophobicContact CD2-CD1 3.94Å; L156-I158 HydrophobicContact CD2-CG1 4.13Å; L156-I158 HydrophobicContact CG-CD1 4.46Å; L156-I158 HydrophobicContact CG-CG1 4.11Å; I158-A333 HydrophobicContact CB-CB 4.32Å
159	V	96.8	Very high	93	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.2	165.6	173.3	0	0	0	0	109.6	L113 C114 V115 A320 A323 L324 C334 I336	L113-V159 PolarHBondContact O-N 2.91Å; C114-V159 WeakPolarHBondContact CA-O 3.29Å; V115-V159 PolarHBondContact N-O 2.92Å; V159-A320 HydrophobicContact CB-CB 4.46Å; V159-A320 HydrophobicContact CG1-CB 3.61Å; V159-A323 HydrophobicContact CG2-CB 3.9Å; V159-L324 HydrophobicContact CB-CD1 4.48Å; V159-L324 HydrophobicContact CB-CD2 4.05Å; V159-L324 HydrophobicContact CB-CG 4.04Å; V159-L324 HydrophobicContact CG2-CD2 3.57Å; V159-L324 HydrophobicContact CG2-CG 3.61Å; V159-C334 CarbonylContact C-O 3.56Å; V159-C334 WeakPolarHBondContact CA-O 3.38Å; V159-I336 HydrophobicContact CG1-CD1 3.76Å; V159-I336 HydrophobicContact CG1-CG1 3.54Å
160	G	96.9	Very high	93	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.3	176	0	0	0	0	0	112.7	V115 L122 C334 V335 I336	V115-G160 CarbonylContact O-C 3.56Å; V115-G160 WeakPolarHBondContact O-CA 3.36Å; L122-G160 VanDerWaalsContact CD2-CA 3.43Å; G160-C334 PolarHBondContact N-O 2.78Å; G160-V335 CarbonylContact O-C 3.53Å; G160-V335 WeakPolarHBondContact O-CA 3.31Å; G160-I336 PolarHBondContact O-N 2.9Å
161	L	97.5	Very high	92.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	165.4	-62.4	-177.4	0	0	0	108.6	A33 V37 V115 C116 G117 G163 I176 L316 A320 I336	A33-L161 HydrophobicContact CB-CD1 3.91Å; V37-L161 HydrophobicContact CG2-CD1 4.25Å; V115-L161 PolarHBondContact O-N 3Å; C116-L161 CarbonylContact C-O 3.38Å; C116-L161 VanDerWaalsContact CA-O 3.3Å; C116-L161 WeakPolarHBondContact CA-O 3.48Å; C116-L161 HydrophobicContact CB-CB 4.04Å; G117-L161 PolarHBondContact N-O 3.09Å; L161-G163 PolarHBondContact O-N 3.25Å; L161-I176 HydrophobicContact CB-CD1 4.36Å; L161-L316 HydrophobicContact CD2-CB 3.78Å; L161-A320 HydrophobicContact CD1-CB 4.5Å; L161-A320 HydrophobicContact CD2-CB 4.04Å; L161-A320 HydrophobicContact CG-CB 4.43Å; L161-I336 HydrophobicContact CD2-CB 3.82Å; L161-I336 HydrophobicContact CD2-CG1 3.95Å
162	V	96.3	Very high	92.9	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.024	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	99.1	-175.3	-165.1	0	0	0	0	110.6	G117 L122 F169 T175 I176 V335	G117-V162 WeakPolarHBondContact O-CA 3.41Å; L122-V162 HydrophobicContact CD1-CG2 4.01Å; V162-F169 HydrophobicContact CG1-CB 3.67Å; V162-F169 HydrophobicContact CG1-CD1 4.25Å; V162-F169 HydrophobicContact CG1-CD2 4.22Å; V162-F169 HydrophobicContact CG1-CG 3.8Å; V162-F169 HydrophobicContact CG2-CD1 3.57Å; V162-F169 HydrophobicContact CG2-CD2 4.49Å; V162-F169 HydrophobicContact CG2-CE1 3.76Å; V162-F169 HydrophobicContact CG2-CG 3.95Å; V162-F169 HydrophobicContact CG2-CZ 4.33Å; V162-T175 HydrophobicContact CB-CG2 4.05Å; V162-T175 HydrophobicContact CG1-CG2 3.47Å; V162-T175 VanDerWaalsContact CG1-CG2 3.47Å; V162-I176 WeakPolarHBondContact O-CB 3.26Å; V162-I176 PolarHBondContact O-N 3.12Å; V162-V335 HydrophobicContact CG2-CG1 3.43Å; V162-V335 VanDerWaalsContact CG2-CG1 3.43Å
163	G	95.9	Very high	93	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	99.6	173.5	0	0	0	0	0	111	G117 G118 L161	G117-G163 CarbonylContact C-O 3.5Å; G117-G163 PolarHBondContact O-N 3.4Å; G118-G163 PolarHBondContact N-O 3.46Å; L161-G163 PolarHBondContact O-N 3.25Å
164	S	95.1	Very high	93.2	Very high	6 Å²	6	15.9 Å²	15.9	4%	0.042	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	140.4	-179.3	-174.1	0	0	0	0	110.1	D166 T175 I176	S164-D166 VanDerWaalsContact C-N 3.34Å; S164-D166 PolarHBondContact OG-N 2.73Å; S164-T175 WeakPolarHBondContact O-CB 3.19Å; S164-T175 PolarHBondContact O-OG1 3.07Å; S164-I176 CarbonylContact C-O 3.51Å; S164-I176 PolarHBondContact N-O 3.31Å
165	I	96.1	Very high	93.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-80.1	-20.4	171.4	64.5	162.9	0	0	0	112.2	A27 N167 A181 M208 L215 Q300 R301	A27-I165 HydrophobicContact CB-CG2 4.1Å; I165-N167 VanDerWaalsContact C-N 3.25Å; I165-N167 PolarHBondContact O-N 2.96Å; I165-A181 HydrophobicContact CB-CB 3.78Å; I165-A181 HydrophobicContact CD1-CB 4.47Å; I165-A181 HydrophobicContact CG2-CB 3.96Å; I165-M208 HydrophobicContact CD1-CB 4.13Å; I165-M208 HydrophobicContact CD1-SD 4.21Å; I165-L215 HydrophobicContact CD1-CD1 4.36Å; I165-L215 HydrophobicContact CG1-CD1 4.47Å; I165-L215 WeakPolarHBondContact O-CD1 3.41Å; I165-L215 WeakPolarHBondContact O-CD2 3.35Å; I165-L215 WeakPolarHBondContact O-CG 3.4Å; I165-Q300 HydrophobicContact CD1-CB 4.36Å; I165-R301 HydrophobicContact CD1-CG 3.67Å; I165-R301 HydrophobicContact CG1-CG 4.44Å; I165-R301 HydrophobicContact CG2-CG 4.49Å
166	D	94.8	Very high	93.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-74	-19	-167.1	-56.5	-36.7	0	0	0	112.3	S164 D168 G209 R210	S164-D166 VanDerWaalsContact C-N 3.34Å; S164-D166 PolarHBondContact OG-N 2.73Å; D166-D168 HydrophobicContact CB-CB 4.12Å; D166-D168 PolarHBondContact O-N 2.77Å; D166-G209 VanDerWaalsContact OD1-CA 3.3Å; D166-G209 WeakPolarHBondContact OD1-CA 3.34Å; D166-R210 IonicContact OD2-CZ 2.95Å; D166-R210 IonicContact OD2-NE 3.77Å; D166-R210 IonicContact OD2-NH2 2.72Å
167	N	94.4	Very high	94	Very high	16 Å²	16	9.1 Å²	9.1	9%	0.086	6%	0.056	C	C	.	.			trans	48.9	41.9	-171.5	-157.5	35.9	0	0	0	113.5	I165 D173 M174 T175 A178 Y214	I165-N167 VanDerWaalsContact C-N 3.25Å; I165-N167 PolarHBondContact O-N 2.96Å; N167-D173 PolarHBondContact ND2-O 2.99Å; N167-M174 WeakPolarHBondContact OD1-CA 3.4Å; N167-T175 VanDerWaalsContact CA-OG1 3.3Å; N167-T175 WeakPolarHBondContact CA-OG1 3.36Å; N167-T175 PolarHBondContact N-OG1 3.45Å; N167-T175 PolarHBondContact OD1-N 3.39Å; N167-T175 PolarHBondContact OD1-OG1 3.42Å; N167-A178 HydrophobicContact CB-CB 3.9Å; N167-Y214 HydrophobicContact CB-CD1 3.52Å; N167-Y214 HydrophobicContact CB-CD2 4.49Å; N167-Y214 HydrophobicContact CB-CE1 3.99Å; N167-Y214 HydrophobicContact CB-CG 3.82Å; N167-Y214 WeakPolarHBondContact ND2-CD2 3.5Å; N167-Y214 WeakPolarHBondContact ND2-CE1 3.47Å; N167-Y214 VanDerWaalsContact ND2-CE2 3.29Å; N167-Y214 WeakPolarHBondContact ND2-CE2 3.25Å; N167-Y214 VanDerWaalsContact ND2-CZ 3.27Å
168	D	91.3	Very high	94.1	Very high	13 Å²	13	8.3 Å²	8.3	7%	0.07	5%	0.052	C	C	.	.			trans	-101.3	0.9	-170.6	67.6	-25.2	0	0	0	114.3	D166 R210 C212 T355 R374	D166-D168 HydrophobicContact CB-CB 4.12Å; D166-D168 PolarHBondContact O-N 2.77Å; D168-R210 IonicContact OD2-NH1 2.58Å; D168-C212 HydrophobicContact CB-CB 3.71Å; D168-T355 WeakPolarHBondContact O-CG2 3.29Å; D168-R374 PolarHBondContact O-NH1 3.47Å
169	F	90.7	Very high	94.2	Very high	5 Å²	5	8.1 Å²	8.1	2%	0.022	5%	0.051	C	C	.	.			trans	-92.2	117.5	-176	-165.4	-93.5	0	0	0	111.9	D119 L122 V162 T172 T175 V335 C351 V352	D119-F169 HydrophobicContact CB-CD2 4.18Å; D119-F169 HydrophobicContact CB-CE2 4.4Å; L122-F169 HydrophobicContact CD1-CE2 3.94Å; L122-F169 HydrophobicContact CD1-CZ 3.99Å; V162-F169 HydrophobicContact CG1-CB 3.67Å; V162-F169 HydrophobicContact CG1-CD1 4.25Å; V162-F169 HydrophobicContact CG1-CD2 4.22Å; V162-F169 HydrophobicContact CG1-CG 3.8Å; V162-F169 HydrophobicContact CG2-CD1 3.57Å; V162-F169 HydrophobicContact CG2-CD2 4.49Å; V162-F169 HydrophobicContact CG2-CE1 3.76Å; V162-F169 HydrophobicContact CG2-CG 3.95Å; V162-F169 HydrophobicContact CG2-CZ 4.33Å; F169-T172 HydrophobicContact CD1-CG2 4.32Å; F169-T175 HydrophobicContact CB-CG2 4.05Å; F169-V335 HydrophobicContact CE1-CB 4.46Å; F169-V335 HydrophobicContact CE1-CG1 4.01Å; F169-V335 HydrophobicContact CE1-CG2 4.23Å; F169-V335 HydrophobicContact CZ-CG2 4.04Å; F169-C351 HydrophobicContact CD1-CB 4.31Å; F169-C351 HydrophobicContact CE1-CB 3.34Å; F169-C351 HydrophobicContact CE2-CB 4.48Å; F169-C351 HydrophobicContact CZ-CB 3.44Å; F169-C351 VanDerWaalsContact CZ-CB 3.44Å; F169-V352 HydrophobicContact CE2-CG2 4.18Å; F169-V352 HydrophobicContact CZ-CG2 4.39Å
170	C	89.6	Confident	94.2	Very high	9 Å²	9	8 Å²	8	6%	0.061	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	139.7	179.6	-67.2	0	0	0	0	111.9	C351 M354 T355 I774	C170-C351 WeakPolarHBondContact O-CB 3.49Å; C170-M354 HydrophobicContact CB-CB 3.72Å; C170-T355 PolarHBondContact N-OG1 3.48Å; C170-T355 VanDerWaalsContact N-OG1 3.08Å; C170-I774 HydrophobicContact CB-CD1 4.47Å
171	G	85.8	Confident	94.3	Very high	25 Å²	25	8 Å²	8	26%	0.258	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.2	-20.3	176.8	0	0	0	0	0	114.2	L346	G171-L346 VanDerWaalsContact C-CD1 3.48Å; G171-L346 WeakPolarHBondContact O-CD1 3.36Å
172	T	90.3	Very high	94.3	Very high	14 Å²	14	8.1 Å²	8.1	9%	0.086	5%	0.051	C	C	.	.			trans	-114.6	139.9	174.5	-170.8	0	0	0	0	110.6	F169 M174 T175 L338	F169-T172 HydrophobicContact CD1-CG2 4.32Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 PolarHBondContact OG1-O 3.08Å; T172-T175 HydrophobicContact CG2-CG2 3.78Å; T172-L338 PolarHBondContact OG1-N 2.86Å
173	D	89.6	Confident	94.4	Very high	52 Å²	52	9.4 Å²	9.4	28%	0.278	6%	0.056	S	C	.	.	S	Bend	trans	-71.3	-30.9	178.9	-65.2	-19.4	0	0	0	112.5	N167 L338 C339 G340 K715	N167-D173 PolarHBondContact ND2-O 2.99Å; D173-L338 PolarHBondContact N-O 3.02Å; D173-C339 WeakPolarHBondContact OD2-CA 3.38Å; D173-G340 PolarHBondContact OD2-N 3.3Å; D173-K715 WeakPolarHBondContact OD1-CE 3.3Å; D173-K715 IonicContact OD1-NZ 2.85Å; D173-K715 PolarHBondContact OD1-NZ 3.11Å; D173-K715 WeakPolarHBondContact OD2-CE 3.15Å; D173-K715 IonicContact OD2-NZ 2.67Å
174	M	92.8	Very high	94.5	Very high	17 Å²	17	12.2 Å²	12.2	8%	0.084	7%	0.067	C	C	.	.	S	Bend	trans	-143.5	133.7	178	-162.8	72.2	73.1	0	0	110.5	N167 T172 A178 Y214 F308 L312 L338	N167-M174 WeakPolarHBondContact OD1-CA 3.4Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 PolarHBondContact OG1-O 3.08Å; M174-A178 HydrophobicContact CG-CB 4.3Å; M174-A178 HydrophobicContact SD-CB 3.66Å; M174-Y214 VanDerWaalsContact CE-OH 3.23Å; M174-Y214 WeakPolarHBondContact CE-OH 3.34Å; M174-Y214 HydrophobicContact SD-CE1 4.11Å; M174-F308 HydrophobicContact CB-CE1 4.09Å; M174-F308 HydrophobicContact CG-CE1 3.82Å; M174-L312 HydrophobicContact CB-CD2 4.36Å; M174-L312 HydrophobicContact CG-CD2 4.41Å; M174-L338 HydrophobicContact CB-CD2 4.13Å
175	T	95.7	Very high	94.6	Very high	2 Å²	2	12 Å²	12	1%	0.012	7%	0.065	C	C	.	.			trans	-89.1	152.4	168.9	57	0	0	0	0	111.4	V162 S164 N167 F169 T172 G177 A178	V162-T175 HydrophobicContact CB-CG2 4.05Å; V162-T175 HydrophobicContact CG1-CG2 3.47Å; V162-T175 VanDerWaalsContact CG1-CG2 3.47Å; S164-T175 WeakPolarHBondContact O-CB 3.19Å; S164-T175 PolarHBondContact O-OG1 3.07Å; N167-T175 VanDerWaalsContact CA-OG1 3.3Å; N167-T175 WeakPolarHBondContact CA-OG1 3.36Å; N167-T175 PolarHBondContact N-OG1 3.45Å; N167-T175 PolarHBondContact OD1-N 3.39Å; N167-T175 PolarHBondContact OD1-OG1 3.42Å; F169-T175 HydrophobicContact CB-CG2 4.05Å; T172-T175 HydrophobicContact CG2-CG2 3.78Å; T175-G177 PolarHBondContact O-N 3.22Å; T175-G177 VanDerWaalsContact O-N 3.15Å; T175-A178 PolarHBondContact O-N 3.06Å
176	I	97.4	Very high	94.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	118.2	178	-62.5	166.9	0	0	0	109.3	A27 A33 L161 V162 S164 L312 S313 L316	A27-I176 VanDerWaalsContact CB-O 3.3Å; A27-I176 WeakPolarHBondContact CB-O 3.45Å; A33-I176 HydrophobicContact CB-CD1 4.26Å; L161-I176 HydrophobicContact CB-CD1 4.36Å; V162-I176 WeakPolarHBondContact O-CB 3.26Å; V162-I176 PolarHBondContact O-N 3.12Å; S164-I176 CarbonylContact C-O 3.51Å; S164-I176 PolarHBondContact N-O 3.31Å; I176-L312 HydrophobicContact CG1-CD2 4.35Å; I176-L312 HydrophobicContact CG1-CG 4.5Å; I176-S313 WeakPolarHBondContact CG2-OG 3.4Å; I176-L316 HydrophobicContact CD1-CD1 4.02Å; I176-L316 HydrophobicContact CG1-CD1 3.99Å
177	G	96.7	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.2	-12.2	176.1	0	0	0	0	0	115	Q28 T175 S180 A181 D309	Q28-G177 WeakPolarHBondContact O-CA 3.22Å; Q28-G177 PolarHBondContact O-N 2.93Å; T175-G177 PolarHBondContact O-N 3.22Å; T175-G177 VanDerWaalsContact O-N 3.15Å; G177-S180 PolarHBondContact O-N 3.23Å; G177-A181 WeakPolarHBondContact O-CB 3.46Å; G177-A181 PolarHBondContact O-N 3.22Å; G177-D309 WeakPolarHBondContact CA-OD2 3.28Å; G177-D309 VanDerWaalsContact N-CG 3.27Å; G177-D309 PolarHBondContact N-OD1 2.93Å; G177-D309 PolarHBondContact N-OD2 3.41Å
178	A	97.1	Very high	94.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-42.1	179.9	0	0	0	0	0	112.1	N167 M174 T175 A181 L182	N167-A178 HydrophobicContact CB-CB 3.9Å; M174-A178 HydrophobicContact CG-CB 4.3Å; M174-A178 HydrophobicContact SD-CB 3.66Å; T175-A178 PolarHBondContact O-N 3.06Å; A178-A181 PolarHBondContact O-N 3.31Å; A178-L182 WeakPolarHBondContact O-CG 3.4Å; A178-L182 PolarHBondContact O-N 3.07Å; A178-L182 VanDerWaalsContact O-N 3.09Å
179	D	97.4	Very high	94.8	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.011	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-42.9	177.1	-177.7	74.5	0	0	0	111.6	A181 L182 H183 S306 F308	D179-A181 VanDerWaalsContact C-N 3.32Å; D179-A181 PolarHBondContact O-N 3.4Å; D179-L182 WeakPolarHBondContact O-CB 3.3Å; D179-L182 PolarHBondContact O-N 3.25Å; D179-L182 VanDerWaalsContact O-N 3.12Å; D179-H183 PolarHBondContact O-CD2 2.96Å; D179-H183 PolarHBondContact O-N 3.21Å; D179-H183 IonicContact OD2-CD2 3.17Å; D179-H183 IonicContact OD2-NE2 3.94Å; D179-S306 WeakPolarHBondContact OD2-CB 3.26Å; D179-S306 PolarHBondContact OD2-OG 2.95Å; D179-F308 HydrophobicContact CB-CB 4.37Å; D179-F308 HydrophobicContact CB-CD1 3.97Å; D179-F308 HydrophobicContact CB-CG 4.46Å; D179-F308 WeakPolarHBondContact OD2-CB 3.2Å
180	S	98.1	Very high	95	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-40.5	174.7	-61.2	0	0	0	0	112.4	G177 L182 H183 R184 P305 S306 D309	G177-S180 PolarHBondContact O-N 3.23Å; S180-L182 VanDerWaalsContact C-N 3.35Å; S180-H183 WeakPolarHBondContact O-CB 3.49Å; S180-H183 PolarHBondContact O-N 3.12Å; S180-R184 WeakPolarHBondContact O-CG 3.4Å; S180-R184 PolarHBondContact O-N 3.36Å; S180-R184 VanDerWaalsContact O-N 3.12Å; S180-P305 WeakPolarHBondContact OG-CA 3.41Å; S180-S306 PolarHBondContact OG-N 3.41Å; S180-S306 PolarHBondContact OG-OG 3.42Å; S180-D309 VanDerWaalsContact CB-OD2 3.22Å; S180-D309 WeakPolarHBondContact CB-OD2 3.33Å; S180-D309 PolarHBondContact N-OD2 2.91Å; S180-D309 PolarHBondContact OG-OD2 3.35Å
181	A	98.1	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-41.4	174.7	0	0	0	0	0	111.7	I165 G177 A178 D179 H183 R184 I185 L215 Q300	I165-A181 HydrophobicContact CB-CB 3.78Å; I165-A181 HydrophobicContact CD1-CB 4.47Å; I165-A181 HydrophobicContact CG2-CB 3.96Å; G177-A181 WeakPolarHBondContact O-CB 3.46Å; G177-A181 PolarHBondContact O-N 3.22Å; A178-A181 PolarHBondContact O-N 3.31Å; D179-A181 VanDerWaalsContact C-N 3.32Å; D179-A181 PolarHBondContact O-N 3.4Å; A181-H183 VanDerWaalsContact C-N 3.3Å; A181-H183 PolarHBondContact O-N 3.37Å; A181-R184 PolarHBondContact O-N 2.96Å; A181-R184 VanDerWaalsContact O-N 3.12Å; A181-I185 VanDerWaalsContact O-CG1 3.3Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 2.9Å; A181-L215 HydrophobicContact CB-CD1 4.22Å; A181-L215 HydrophobicContact CB-CD2 4.1Å; A181-Q300 WeakPolarHBondContact CA-O 3.11Å; A181-Q300 WeakPolarHBondContact CB-O 3.3Å
182	L	97.9	Very high	95.4	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-39.5	172.9	-69.4	170.3	0	0	0	112.1	A178 D179 S180 R184 I185 M186 Y214 L215 V218 P669	A178-L182 WeakPolarHBondContact O-CG 3.4Å; A178-L182 PolarHBondContact O-N 3.07Å; A178-L182 VanDerWaalsContact O-N 3.09Å; D179-L182 WeakPolarHBondContact O-CB 3.3Å; D179-L182 PolarHBondContact O-N 3.25Å; D179-L182 VanDerWaalsContact O-N 3.12Å; S180-L182 VanDerWaalsContact C-N 3.35Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.36Å; L182-I185 HydrophobicContact CD2-CD1 4.38Å; L182-I185 PolarHBondContact O-N 2.9Å; L182-M186 WeakPolarHBondContact O-CB 3.47Å; L182-M186 WeakPolarHBondContact O-CG 3.44Å; L182-M186 PolarHBondContact O-N 2.97Å; L182-Y214 HydrophobicContact CD1-CE1 4.25Å; L182-L215 HydrophobicContact CD2-CD2 3.74Å; L182-L215 HydrophobicContact CG-CD2 3.72Å; L182-V218 HydrophobicContact CD1-CB 4.2Å; L182-V218 HydrophobicContact CD1-CG1 3.66Å; L182-V218 HydrophobicContact CD2-CB 3.9Å; L182-V218 HydrophobicContact CD2-CG1 3.91Å; L182-V218 HydrophobicContact CG-CG1 4.44Å; L182-P669 HydrophobicContact CB-CB 3.85Å; L182-P669 HydrophobicContact CB-CG 4.04Å
183	H	97.9	Very high	95.3	Very high	30 Å²	30	22.8 Å²	22.8	14%	0.139	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-42	174.1	-88.9	-99.7	0	0	0	111.8	D179 S180 A181 E187 P669	D179-H183 PolarHBondContact O-CD2 2.96Å; D179-H183 PolarHBondContact O-N 3.21Å; D179-H183 IonicContact OD2-CD2 3.17Å; D179-H183 IonicContact OD2-NE2 3.94Å; S180-H183 WeakPolarHBondContact O-CB 3.49Å; S180-H183 PolarHBondContact O-N 3.12Å; A181-H183 VanDerWaalsContact C-N 3.3Å; A181-H183 PolarHBondContact O-N 3.37Å; H183-E187 PolarHBondContact O-N 2.95Å; H183-P669 HydrophobicContact CB-CG 4.35Å; H183-P669 WeakPolarHBondContact NE2-CD 3.18Å
184	R	97.6	Very high	95.2	Very high	61 Å²	61	24.9 Å²	24.9	23%	0.23	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-42.6	177	-60	-59.3	85.7	-154.5	-7.5	111.9	S180 A181 L182 M186 E187 I188 V299	S180-R184 WeakPolarHBondContact O-CG 3.4Å; S180-R184 PolarHBondContact O-N 3.36Å; S180-R184 VanDerWaalsContact O-N 3.12Å; A181-R184 PolarHBondContact O-N 2.96Å; A181-R184 VanDerWaalsContact O-N 3.12Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.36Å; R184-M186 VanDerWaalsContact C-N 3.34Å; R184-E187 IonicContact CZ-OE2 3.58Å; R184-E187 IonicContact NH1-OE1 3.56Å; R184-E187 IonicContact NH1-OE2 2.71Å; R184-E187 PolarHBondContact NH1-OE2 3.23Å; R184-E187 IonicContact NH2-OE2 2.98Å; R184-E187 PolarHBondContact NH2-OE2 2.99Å; R184-I188 WeakPolarHBondContact O-CD1 3.22Å; R184-I188 WeakPolarHBondContact O-CG1 3.36Å; R184-I188 PolarHBondContact O-N 3.3Å; R184-V299 WeakPolarHBondContact CG-O 3.18Å
185	I	97.6	Very high	95	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-47.1	177.1	-64.4	157.8	0	0	0	109.9	A181 L182 I188 V189 V207 L215 S219 L296 Q300	A181-I185 VanDerWaalsContact O-CG1 3.3Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 2.9Å; L182-I185 HydrophobicContact CD2-CD1 4.38Å; L182-I185 PolarHBondContact O-N 2.9Å; I185-I188 PolarHBondContact O-N 3.24Å; I185-V189 HydrophobicContact CG2-CG2 4.03Å; I185-V189 WeakPolarHBondContact O-CG2 3.09Å; I185-V189 PolarHBondContact O-N 3.42Å; I185-V207 HydrophobicContact CD1-CG1 3.49Å; I185-V207 VanDerWaalsContact CD1-CG1 3.49Å; I185-V207 HydrophobicContact CG1-CG1 4.17Å; I185-V207 HydrophobicContact CG2-CG2 4.21Å; I185-L215 HydrophobicContact CD1-CB 4.02Å; I185-L215 HydrophobicContact CD1-CD1 4.33Å; I185-L215 HydrophobicContact CD1-CD2 4.3Å; I185-L215 HydrophobicContact CD1-CG 4.46Å; I185-S219 VanDerWaalsContact CG2-OG 3.28Å; I185-S219 WeakPolarHBondContact CG2-OG 3.36Å; I185-L296 HydrophobicContact CB-CD2 4.14Å; I185-L296 HydrophobicContact CG1-CD2 3.88Å; I185-L296 HydrophobicContact CG2-CD2 3.96Å; I185-Q300 HydrophobicContact CG1-CG 3.91Å
186	M	96.3	Very high	94.6	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-177.2	-71.8	-49.2	-41.9	0	0	113.6	L182 R184 I188 V189 D190 A222 P669 R672	L182-M186 WeakPolarHBondContact O-CB 3.47Å; L182-M186 WeakPolarHBondContact O-CG 3.44Å; L182-M186 PolarHBondContact O-N 2.97Å; R184-M186 VanDerWaalsContact C-N 3.34Å; M186-I188 VanDerWaalsContact C-N 3.28Å; M186-I188 PolarHBondContact O-N 3.24Å; M186-V189 HydrophobicContact CE-CB 4.07Å; M186-V189 HydrophobicContact CE-CG1 4.14Å; M186-V189 PolarHBondContact O-N 3.35Å; M186-D190 WeakPolarHBondContact O-CB 3.33Å; M186-D190 PolarHBondContact O-N 3.33Å; M186-A222 HydrophobicContact CG-CB 4.38Å; M186-A222 HydrophobicContact SD-CB 3.79Å; M186-P669 HydrophobicContact CB-CG 4.08Å; M186-P669 HydrophobicContact CG-CB 3.93Å; M186-P669 HydrophobicContact CG-CG 3.78Å; M186-R672 VanDerWaalsContact CE-NH1 3.31Å
187	E	95.3	Very high	94	Very high	105 Å²	105	29.9 Å²	29.9	49%	0.491	16%	0.163	S	C	.	.	H	α-helix	trans	-57.7	-44	172.6	-178.3	179.2	145.3	0	0	111.5	H183 R184 D190 A191	H183-E187 PolarHBondContact O-N 2.95Å; R184-E187 IonicContact CZ-OE2 3.58Å; R184-E187 IonicContact NH1-OE1 3.56Å; R184-E187 IonicContact NH1-OE2 2.71Å; R184-E187 PolarHBondContact NH1-OE2 3.23Å; R184-E187 IonicContact NH2-OE2 2.98Å; R184-E187 PolarHBondContact NH2-OE2 2.99Å; E187-D190 PolarHBondContact O-N 3.32Å; E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 3.49Å
188	I	95.3	Very high	93.6	Very high	41 Å²	41	33.7 Å²	33.7	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-69.7	-42.9	179.7	-65	165.8	0	0	0	110.8	R184 I185 M186 D190 A191 I192 L296 V299	R184-I188 WeakPolarHBondContact O-CD1 3.22Å; R184-I188 WeakPolarHBondContact O-CG1 3.36Å; R184-I188 PolarHBondContact O-N 3.3Å; I185-I188 PolarHBondContact O-N 3.24Å; M186-I188 VanDerWaalsContact C-N 3.28Å; M186-I188 PolarHBondContact O-N 3.24Å; I188-D190 VanDerWaalsContact C-N 3.33Å; I188-D190 PolarHBondContact O-N 3.07Å; I188-A191 PolarHBondContact O-N 3.37Å; I188-I192 HydrophobicContact CG2-CD1 3.68Å; I188-I192 HydrophobicContact CG2-CG1 4.37Å; I188-I192 WeakPolarHBondContact O-CB 3.47Å; I188-I192 VanDerWaalsContact O-CG1 3.25Å; I188-I192 WeakPolarHBondContact O-CG1 3.36Å; I188-I192 PolarHBondContact O-N 3.18Å; I188-L296 HydrophobicContact CD1-CB 4.43Å; I188-L296 HydrophobicContact CD1-CD2 4.15Å; I188-L296 HydrophobicContact CD1-CG 3.88Å; I188-L296 HydrophobicContact CG2-CD1 4.25Å; I188-L296 HydrophobicContact CG2-CG 4.1Å; I188-V299 HydrophobicContact CD1-CB 4.34Å; I188-V299 HydrophobicContact CD1-CG2 3.34Å
189	V	94.3	Very high	93.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-44.5	177	176.3	0	0	0	0	110.4	I185 M186 A191 I192 M193 L205 I259	I185-V189 HydrophobicContact CG2-CG2 4.03Å; I185-V189 WeakPolarHBondContact O-CG2 3.09Å; I185-V189 PolarHBondContact O-N 3.42Å; M186-V189 HydrophobicContact CE-CB 4.07Å; M186-V189 HydrophobicContact CE-CG1 4.14Å; M186-V189 PolarHBondContact O-N 3.35Å; V189-A191 PolarHBondContact O-N 3.22Å; V189-I192 PolarHBondContact O-N 3.17Å; V189-M193 HydrophobicContact CG1-CE 4.15Å; V189-M193 HydrophobicContact CG1-CG 4.35Å; V189-M193 HydrophobicContact CG1-SD 4.44Å; V189-M193 WeakPolarHBondContact O-CB 3.31Å; V189-M193 VanDerWaalsContact O-CG 3.31Å; V189-M193 WeakPolarHBondContact O-CG 3.17Å; V189-M193 PolarHBondContact O-N 2.91Å; V189-L205 HydrophobicContact CB-CD1 4.39Å; V189-L205 HydrophobicContact CG1-CD1 4.34Å; V189-L205 HydrophobicContact CG2-CD1 3.61Å; V189-I259 HydrophobicContact CG1-CD1 4.23Å
190	D	93.4	Very high	92.5	Very high	38 Å²	38	42.9 Å²	42.9	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-43.5	177.2	-70.4	-13.2	0	0	0	111.6	M186 E187 I188 I192 M193 R672	M186-D190 WeakPolarHBondContact O-CB 3.33Å; M186-D190 PolarHBondContact O-N 3.33Å; E187-D190 PolarHBondContact O-N 3.32Å; I188-D190 VanDerWaalsContact C-N 3.33Å; I188-D190 PolarHBondContact O-N 3.07Å; D190-I192 VanDerWaalsContact C-N 3.35Å; D190-I192 PolarHBondContact O-N 2.91Å; D190-M193 HydrophobicContact CB-CE 4.26Å; D190-M193 PolarHBondContact O-N 2.75Å; D190-M193 WeakPolarHBondContact OD1-CE 3.32Å; D190-R672 IonicContact OD1-CZ 3.96Å; D190-R672 IonicContact OD1-NH1 3.87Å; D190-R672 PolarHBondContact OD1-NH1 3.08Å; D190-R672 IonicContact OD1-NH2 2.72Å; D190-R672 IonicContact OD2-CZ 2.74Å; D190-R672 IonicContact OD2-NH1 3.81Å; D190-R672 PolarHBondContact OD2-NH1 3.13Å; D190-R672 IonicContact OD2-NH2 3.26Å; D190-R672 PolarHBondContact OD2-NH2 2.8Å
191	A	93.3	Very high	92.2	Very high	62 Å²	62	45.5 Å²	45.5	51%	0.512	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-44	174.6	0	0	0	0	0	111.8	E187 I188 V189 T194	E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 3.49Å; I188-A191 PolarHBondContact O-N 3.37Å; V189-A191 PolarHBondContact O-N 3.22Å; A191-T194 PolarHBondContact O-N 3.12Å; A191-T194 PolarHBondContact O-OG1 3.43Å
192	I	92.1	Very high	92	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.097	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-38.2	179.2	-70.5	170.5	0	0	0	111.7	I188 V189 D190 T194 T195 A196 F203 L205 T294	I188-I192 HydrophobicContact CG2-CD1 3.68Å; I188-I192 HydrophobicContact CG2-CG1 4.37Å; I188-I192 WeakPolarHBondContact O-CB 3.47Å; I188-I192 VanDerWaalsContact O-CG1 3.25Å; I188-I192 WeakPolarHBondContact O-CG1 3.36Å; I188-I192 PolarHBondContact O-N 3.18Å; V189-I192 PolarHBondContact O-N 3.17Å; D190-I192 VanDerWaalsContact C-N 3.35Å; D190-I192 PolarHBondContact O-N 2.91Å; I192-T194 PolarHBondContact O-N 3.36Å; I192-T195 WeakPolarHBondContact O-CG2 3.25Å; I192-T195 PolarHBondContact O-N 3.31Å; I192-A196 VanDerWaalsContact O-CB 3.29Å; I192-A196 WeakPolarHBondContact O-CB 3.42Å; I192-A196 PolarHBondContact O-N 3.3Å; I192-F203 HydrophobicContact CG2-CB 4.04Å; I192-F203 HydrophobicContact CG2-CD1 3.4Å; I192-F203 VanDerWaalsContact CG2-CD1 3.4Å; I192-F203 HydrophobicContact CG2-CD2 3.73Å; I192-F203 HydrophobicContact CG2-CE1 3.65Å; I192-F203 HydrophobicContact CG2-CE2 3.96Å; I192-F203 HydrophobicContact CG2-CG 3.43Å; I192-F203 VanDerWaalsContact CG2-CG 3.43Å; I192-F203 HydrophobicContact CG2-CZ 3.92Å; I192-L205 HydrophobicContact CD1-CD2 3.48Å; I192-L205 VanDerWaalsContact CD1-CD2 3.48Å; I192-T294 HydrophobicContact CD1-CG2 3.97Å
193	M	88.5	Confident	91.9	Very high	40 Å²	40	45.9 Å²	45.9	20%	0.197	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-36.6	-179.7	-82.9	-168.7	-65.7	0	0	112.4	V189 D190 A196 N197 I259	V189-M193 HydrophobicContact CG1-CE 4.15Å; V189-M193 HydrophobicContact CG1-CG 4.35Å; V189-M193 HydrophobicContact CG1-SD 4.44Å; V189-M193 WeakPolarHBondContact O-CB 3.31Å; V189-M193 VanDerWaalsContact O-CG 3.31Å; V189-M193 WeakPolarHBondContact O-CG 3.17Å; V189-M193 PolarHBondContact O-N 2.91Å; D190-M193 HydrophobicContact CB-CE 4.26Å; D190-M193 PolarHBondContact O-N 2.75Å; D190-M193 WeakPolarHBondContact OD1-CE 3.32Å; M193-A196 PolarHBondContact O-N 2.96Å; M193-N197 VanDerWaalsContact O-CB 3.3Å; M193-N197 WeakPolarHBondContact O-CB 3.47Å; M193-N197 PolarHBondContact O-N 2.66Å; M193-I259 HydrophobicContact CG-CD1 3.63Å; M193-I259 HydrophobicContact SD-CD1 3.9Å
194	T	86.8	Confident	91.9	Very high	96 Å²	96	44.5 Å²	44.5	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-64.1	-46.1	179.5	66.2	0	0	0	0	112.7	A191 I192 S198	A191-T194 PolarHBondContact O-N 3.12Å; A191-T194 PolarHBondContact O-OG1 3.43Å; I192-T194 PolarHBondContact O-N 3.36Å; T194-S198 PolarHBondContact O-N 3.25Å; T194-S198 PolarHBondContact O-OG 2.91Å
195	T	88.9	Confident	91.9	Very high	51 Å²	51	41.6 Å²	41.6	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-73.7	-35	177.1	-173.7	0	0	0	0	111.8	I192 N197 S198 H199 F203	I192-T195 WeakPolarHBondContact O-CG2 3.25Å; I192-T195 PolarHBondContact O-N 3.31Å; T195-N197 PolarHBondContact O-N 2.96Å; T195-S198 PolarHBondContact O-N 2.78Å; T195-H199 PolarHBondContact O-N 3.32Å; T195-H199 VanDerWaalsContact O-N 3.07Å; T195-F203 HydrophobicContact CG2-CE2 4.48Å; T195-F203 HydrophobicContact CG2-CZ 4.03Å
196	A	86.3	Confident	91.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-44.7	176.9	0	0	0	0	0	111.9	I192 M193 S198 Q200 R201 F203 L257	I192-A196 VanDerWaalsContact O-CB 3.29Å; I192-A196 WeakPolarHBondContact O-CB 3.42Å; I192-A196 PolarHBondContact O-N 3.3Å; M193-A196 PolarHBondContact O-N 2.96Å; A196-S198 VanDerWaalsContact C-N 3.33Å; A196-S198 PolarHBondContact O-N 3.39Å; A196-Q200 WeakPolarHBondContact O-CA 3.24Å; A196-Q200 PolarHBondContact O-N 2.98Å; A196-R201 PolarHBondContact O-N 2.75Å; A196-F203 HydrophobicContact CB-CD2 3.54Å; A196-F203 HydrophobicContact CB-CE2 3.47Å; A196-F203 VanDerWaalsContact CB-CE2 3.47Å; A196-L257 HydrophobicContact CB-CB 4.01Å
197	N	85.7	Confident	92	Very high	73 Å²	73	43.9 Å²	43.9	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-66.5	-35.2	178.2	-169.1	41.1	0	0	0	112.6	M193 T195 R256 L257	M193-N197 VanDerWaalsContact O-CB 3.3Å; M193-N197 WeakPolarHBondContact O-CB 3.47Å; M193-N197 PolarHBondContact O-N 2.66Å; T195-N197 PolarHBondContact O-N 2.96Å; N197-R256 PolarHBondContact O-NE 3.44Å; N197-R256 PolarHBondContact O-NH2 3.09Å; N197-R256 VanDerWaalsContact OD1-CB 3.32Å; N197-R256 WeakPolarHBondContact OD1-CB 3.32Å; N197-R256 WeakPolarHBondContact OD1-CD 3.28Å; N197-L257 HydrophobicContact CB-CD2 4.07Å
198	S	88	Confident	92.1	Very high	80 Å²	80	39.8 Å²	39.8	56%	0.559	22%	0.219	S	C	*	.	H	α-helix	trans	-67.6	-49.3	179.9	-60.4	0	0	0	0	111.9	T194 T195 A196	T194-S198 PolarHBondContact O-N 3.25Å; T194-S198 PolarHBondContact O-OG 2.91Å; T195-S198 PolarHBondContact O-N 2.78Å; A196-S198 VanDerWaalsContact C-N 3.33Å; A196-S198 PolarHBondContact O-N 3.39Å
199	H	86.1	Confident	92	Very high	110 Å²	110	37.9 Å²	37.9	51%	0.509	21%	0.209	S	C	.	.	H	α-helix	trans	-95.5	4	-177.2	-67.8	-67.6	0	0	0	114.5	T195 R201	T195-H199 PolarHBondContact O-N 3.32Å; T195-H199 VanDerWaalsContact O-N 3.07Å; H199-R201 HydrophobicContact CB-CG 3.75Å; H199-R201 PolarHBondContact O-N 3.49Å
200	Q	85.9	Confident	91.8	Very high	86 Å²	86	42.4 Å²	42.4	40%	0.402	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	46.3	175.1	-111.3	-169.6	59.5	0	0	111.3	A196 R251 R256	A196-Q200 WeakPolarHBondContact O-CA 3.24Å; A196-Q200 PolarHBondContact O-N 2.98Å; Q200-R251 PolarHBondContact O-NH1 3.06Å; Q200-R251 PolarHBondContact O-NH2 3.21Å; Q200-R256 CarbonylContact C-O 3.51Å; Q200-R256 VanDerWaalsContact C-O 3.31Å; Q200-R256 WeakPolarHBondContact CA-O 3.41Å; Q200-R256 HydrophobicContact CG-CB 3.92Å; Q200-R256 HydrophobicContact CG-CG 4.21Å
201	R	90.6	Very high	91.7	Very high	56 Å²	56	45.1 Å²	45.1	21%	0.211	24%	0.237	C	C	.	.			trans	-104.6	160.6	-167.8	-75	177.2	175.4	153.4	3.9	114.3	A196 H199 F203 N258 D290	A196-R201 PolarHBondContact O-N 2.75Å; H199-R201 HydrophobicContact CB-CG 3.75Å; H199-R201 PolarHBondContact O-N 3.49Å; R201-F203 HydrophobicContact CB-CD2 4.16Å; R201-F203 HydrophobicContact CB-CE2 3.72Å; R201-N258 PolarHBondContact O-N 3.2Å; R201-D290 HydrophobicContact CG-CB 4.17Å; R201-D290 IonicContact CZ-OD2 2.89Å; R201-D290 IonicContact NE-OD2 2.98Å; R201-D290 PolarHBondContact NE-OD2 3.24Å; R201-D290 IonicContact NH2-OD2 3.93Å; R201-D290 PolarHBondContact NH2-OD2 3.29Å
202	T	93.9	Very high	91.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135	166.7	-56.3	0	0	0	0	109.9	N258 I260 V283 D290 T291 R292	T202-N258 CarbonylContact C-O 3.52Å; T202-N258 WeakPolarHBondContact CA-O 3.49Å; T202-N258 HydrophobicContact CG2-CB 3.89Å; T202-I260 HydrophobicContact CG2-CD1 4.02Å; T202-V283 HydrophobicContact CG2-CG1 4.29Å; T202-D290 PolarHBondContact N-O 3.4Å; T202-T291 HydrophobicContact CG2-CG2 3.94Å; T202-T291 VanDerWaalsContact O-CA 3.29Å; T202-T291 WeakPolarHBondContact O-CA 3.27Å; T202-R292 PolarHBondContact O-N 2.93Å
203	F	96.1	Very high	92	Very high	12 Å²	12	41.3 Å²	41.3	5%	0.053	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.6	174.9	-80.3	-96.3	0	0	0	111.1	I192 T195 A196 R201 L205 N258 I260 R292	I192-F203 HydrophobicContact CG2-CB 4.04Å; I192-F203 HydrophobicContact CG2-CD1 3.4Å; I192-F203 VanDerWaalsContact CG2-CD1 3.4Å; I192-F203 HydrophobicContact CG2-CD2 3.73Å; I192-F203 HydrophobicContact CG2-CE1 3.65Å; I192-F203 HydrophobicContact CG2-CE2 3.96Å; I192-F203 HydrophobicContact CG2-CG 3.43Å; I192-F203 VanDerWaalsContact CG2-CG 3.43Å; I192-F203 HydrophobicContact CG2-CZ 3.92Å; T195-F203 HydrophobicContact CG2-CE2 4.48Å; T195-F203 HydrophobicContact CG2-CZ 4.03Å; A196-F203 HydrophobicContact CB-CD2 3.54Å; A196-F203 HydrophobicContact CB-CE2 3.47Å; A196-F203 VanDerWaalsContact CB-CE2 3.47Å; R201-F203 HydrophobicContact CB-CD2 4.16Å; R201-F203 HydrophobicContact CB-CE2 3.72Å; F203-L205 HydrophobicContact CB-CD2 4.18Å; F203-N258 PolarHBondContact N-O 3.25Å; F203-I260 PolarHBondContact O-N 3.38Å; F203-R292 WeakPolarHBondContact CA-O 3.49Å; F203-R292 HydrophobicContact CD1-CB 3.92Å; F203-R292 HydrophobicContact CE1-CB 3.72Å; F203-R292 HydrophobicContact CE1-CG 4.3Å; F203-R292 HydrophobicContact CZ-CB 4.26Å; F203-R292 HydrophobicContact CZ-CG 4.38Å
204	V	97.5	Very high	92.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.3	169.3	-174.5	0	0	0	0	107.5	I260 V262 V279 K280 T291 R292 V293 T294	V204-I260 CarbonylContact C-O 3.57Å; V204-I260 WeakPolarHBondContact CA-O 3.46Å; V204-I260 HydrophobicContact CG2-CB 4.4Å; V204-I260 HydrophobicContact CG2-CD1 4.26Å; V204-V262 HydrophobicContact CG1-CG2 3.61Å; V204-V279 HydrophobicContact CG1-CB 4.24Å; V204-V279 HydrophobicContact CG1-CG1 4.16Å; V204-V279 HydrophobicContact CG2-CB 4.48Å; V204-V279 HydrophobicContact CG2-CG1 3.92Å; V204-K280 HydrophobicContact CG2-CB 4.27Å; V204-T291 HydrophobicContact CG2-CG2 3.91Å; V204-R292 PolarHBondContact N-O 3.34Å; V204-V293 HydrophobicContact CB-CG2 4.18Å; V204-V293 CarbonylContact O-C 3.5Å; V204-V293 WeakPolarHBondContact O-CA 3.47Å; V204-T294 PolarHBondContact O-N 3.5Å
205	L	97.6	Very high	92.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.5	-175.3	-55.9	-178.7	0	0	0	109.7	V189 I192 F203 I259 I260 I261 V262 T294 L296	V189-L205 HydrophobicContact CB-CD1 4.39Å; V189-L205 HydrophobicContact CG1-CD1 4.34Å; V189-L205 HydrophobicContact CG2-CD1 3.61Å; I192-L205 HydrophobicContact CD1-CD2 3.48Å; I192-L205 VanDerWaalsContact CD1-CD2 3.48Å; F203-L205 HydrophobicContact CB-CD2 4.18Å; L205-I259 HydrophobicContact CD1-CG2 3.83Å; L205-I259 HydrophobicContact CG-CG2 4.41Å; L205-I260 PolarHBondContact N-O 2.99Å; L205-I261 WeakPolarHBondContact O-CA 3.08Å; L205-V262 PolarHBondContact O-N 3.39Å; L205-T294 WeakPolarHBondContact CA-O 3.31Å; L205-L296 HydrophobicContact CB-CD1 4.45Å
206	E	98.1	Very high	93.4	Very high	48 Å²	48	33.5 Å²	33.5	22%	0.224	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.2	177.5	-168.1	179.9	116.1	0	0	110.7	V262 S276 T294 V295 L296	E206-V262 VanDerWaalsContact CA-O 3.32Å; E206-V262 WeakPolarHBondContact CA-O 3.37Å; E206-S276 VanDerWaalsContact OE2-CB 3.3Å; E206-S276 WeakPolarHBondContact OE2-CB 3.11Å; E206-S276 PolarHBondContact OE2-OG 3.49Å; E206-T294 PolarHBondContact N-O 3.24Å; E206-V295 HydrophobicContact CB-CB 4.4Å; E206-V295 HydrophobicContact CB-CG1 4.35Å; E206-V295 HydrophobicContact CB-CG2 4.09Å; E206-L296 PolarHBondContact O-N 3.31Å
207	V	97.6	Very high	93.9	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.6	-171.3	177	0	0	0	0	109.7	I185 L215 A216 I261 V262 A263 E264 L296	I185-V207 HydrophobicContact CD1-CG1 3.49Å; I185-V207 VanDerWaalsContact CD1-CG1 3.49Å; I185-V207 HydrophobicContact CG1-CG1 4.17Å; I185-V207 HydrophobicContact CG2-CG2 4.21Å; V207-L215 HydrophobicContact CG1-CB 3.79Å; V207-A216 HydrophobicContact CB-CB 4.45Å; V207-I261 HydrophobicContact CB-CG2 4.44Å; V207-I261 HydrophobicContact CG2-CG2 3.8Å; V207-V262 PolarHBondContact N-O 3.38Å; V207-A263 CarbonylContact O-C 3.55Å; V207-E264 PolarHBondContact O-N 3.29Å; V207-L296 HydrophobicContact CG2-CD2 4.37Å
208	M	97.3	Very high	94.5	Very high	18 Å²	18	30.1 Å²	30.1	9%	0.089	14%	0.143	C	C	.	.			trans	-70.1	168	177.5	-75.4	-178.4	101.5	0	0	111.6	I165 L215 Q300	I165-M208 HydrophobicContact CD1-CB 4.13Å; I165-M208 HydrophobicContact CD1-SD 4.21Å; M208-L215 WeakPolarHBondContact O-CD1 3.16Å; M208-Q300 VanDerWaalsContact CG-NE2 3.32Å; M208-Q300 HydrophobicContact SD-CB 4.31Å
209	G	93.1	Very high	94.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	12%	0.116	C	C	.	.			trans	155.6	4.9	176.8	0	0	0	0	0	114	D166 H211 C212 E264	D166-G209 VanDerWaalsContact OD1-CA 3.3Å; D166-G209 WeakPolarHBondContact OD1-CA 3.34Å; G209-H211 PolarHBondContact O-N 3.48Å; G209-C212 CarbonylContact C-O 3.5Å; G209-C212 WeakPolarHBondContact CA-O 3.47Å; G209-C212 WeakPolarHBondContact O-CA 3.36Å; G209-C212 WeakPolarHBondContact O-CB 3.43Å; G209-C212 PolarHBondContact O-N 3.15Å; G209-E264 PolarHBondContact N-OE1 2.79Å
210	R	91.9	Very high	95.4	Very high	97 Å²	97	21.1 Å²	21.1	37%	0.366	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-101.4	-174.1	-172	-164.7	-62.9	171.8	-3.8	111.5	D119 D166 D168 E264 G265	D119-R210 IonicContact OD1-NH1 3.11Å; D119-R210 PolarHBondContact OD1-NH1 2.9Å; D166-R210 IonicContact OD2-CZ 2.95Å; D166-R210 IonicContact OD2-NE 3.77Å; D166-R210 IonicContact OD2-NH2 2.72Å; D168-R210 IonicContact OD2-NH1 2.58Å; R210-E264 VanDerWaalsContact CA-OE1 3.29Å; R210-E264 WeakPolarHBondContact CA-OE1 3.37Å; R210-E264 PolarHBondContact N-OE1 2.89Å; R210-G265 WeakPolarHBondContact O-CA 3.3Å; R210-G265 PolarHBondContact O-N 3.24Å
211	H	90.8	Very high	95.8	Very high	94 Å²	94	17.3 Å²	17.3	44%	0.435	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	19.1	177.7	-57.5	-49.5	0	0	0	111.4	G209 R374	G209-H211 PolarHBondContact O-N 3.48Å; H211-R374 PolarHBondContact O-NH2 3.3Å; H211-R374 VanDerWaalsContact O-NH2 3.08Å
212	C	95	Very high	96.1	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.014	7%	0.065	C	C	.	.			trans	-118.8	130.6	176.3	-168.3	0	0	0	0	111.6	D168 G209 Y214 E232 R374	D168-C212 HydrophobicContact CB-CB 3.71Å; G209-C212 CarbonylContact C-O 3.5Å; G209-C212 WeakPolarHBondContact CA-O 3.47Å; G209-C212 WeakPolarHBondContact O-CA 3.36Å; G209-C212 WeakPolarHBondContact O-CB 3.43Å; G209-C212 PolarHBondContact O-N 3.15Å; C212-Y214 VanDerWaalsContact C-N 3.33Å; C212-Y214 PolarHBondContact SG-N 2.92Å; C212-E232 WeakPolarHBondContact CA-OE1 3.45Å; C212-E232 PolarHBondContact SG-OE1 3.25Å; C212-E232 VanDerWaalsContact SG-OE1 3.34Å; C212-R374 VanDerWaalsContact SG-CZ 3.5Å
213	G	96.6	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.069	C	C	.	.			trans	-86.3	5.9	176.4	0	0	0	0	0	114.6	L215 A216 L217 E232	G213-L215 PolarHBondContact O-N 3.44Å; G213-A216 PolarHBondContact O-N 2.94Å; G213-L217 VanDerWaalsContact O-CB 3.27Å; G213-L217 WeakPolarHBondContact O-CB 3.47Å; G213-L217 PolarHBondContact O-N 2.85Å; G213-E232 VanDerWaalsContact CA-OE2 3.3Å; G213-E232 WeakPolarHBondContact CA-OE2 3.16Å; G213-E232 VanDerWaalsContact N-CD 3.3Å; G213-E232 PolarHBondContact N-OE1 3.33Å; G213-E232 PolarHBondContact N-OE2 3.49Å
214	Y	97.1	Very high	95.7	Very high	22 Å²	22	15.7 Å²	15.7	9%	0.086	8%	0.077	C	C	.	.	H	α-helix	trans	-57.1	-51.4	-172.1	180	-92.6	0	0	0	112.4	N167 M174 L182 C212 A216 L217 V218 F378	N167-Y214 HydrophobicContact CB-CD1 3.52Å; N167-Y214 HydrophobicContact CB-CD2 4.49Å; N167-Y214 HydrophobicContact CB-CE1 3.99Å; N167-Y214 HydrophobicContact CB-CG 3.82Å; N167-Y214 WeakPolarHBondContact ND2-CD2 3.5Å; N167-Y214 WeakPolarHBondContact ND2-CE1 3.47Å; N167-Y214 VanDerWaalsContact ND2-CE2 3.29Å; N167-Y214 WeakPolarHBondContact ND2-CE2 3.25Å; N167-Y214 VanDerWaalsContact ND2-CZ 3.27Å; M174-Y214 VanDerWaalsContact CE-OH 3.23Å; M174-Y214 WeakPolarHBondContact CE-OH 3.34Å; M174-Y214 HydrophobicContact SD-CE1 4.11Å; L182-Y214 HydrophobicContact CD1-CE1 4.25Å; C212-Y214 VanDerWaalsContact C-N 3.33Å; C212-Y214 PolarHBondContact SG-N 2.92Å; Y214-A216 VanDerWaalsContact C-N 3.34Å; Y214-A216 PolarHBondContact O-N 3.49Å; Y214-L217 PolarHBondContact O-N 3.39Å; Y214-V218 HydrophobicContact CD1-CG2 4.37Å; Y214-V218 HydrophobicContact CD2-CG2 4.31Å; Y214-V218 HydrophobicContact CE1-CG2 3.99Å; Y214-V218 HydrophobicContact CE2-CG2 3.95Å; Y214-V218 WeakPolarHBondContact O-CG2 3.48Å; Y214-V218 PolarHBondContact O-N 3.37Å; Y214-F378 HydrophobicContact CD2-CD2 4.13Å
215	L	97.8	Very high	95.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.4	-45.7	178.9	-70.1	-179	0	0	0	111.5	I165 A181 L182 I185 V207 M208 G213 S219	I165-L215 HydrophobicContact CD1-CD1 4.36Å; I165-L215 HydrophobicContact CG1-CD1 4.47Å; I165-L215 WeakPolarHBondContact O-CD1 3.41Å; I165-L215 WeakPolarHBondContact O-CD2 3.35Å; I165-L215 WeakPolarHBondContact O-CG 3.4Å; A181-L215 HydrophobicContact CB-CD1 4.22Å; A181-L215 HydrophobicContact CB-CD2 4.1Å; L182-L215 HydrophobicContact CD2-CD2 3.74Å; L182-L215 HydrophobicContact CG-CD2 3.72Å; I185-L215 HydrophobicContact CD1-CB 4.02Å; I185-L215 HydrophobicContact CD1-CD1 4.33Å; I185-L215 HydrophobicContact CD1-CD2 4.3Å; I185-L215 HydrophobicContact CD1-CG 4.46Å; V207-L215 HydrophobicContact CG1-CB 3.79Å; M208-L215 WeakPolarHBondContact O-CD1 3.16Å; G213-L215 PolarHBondContact O-N 3.44Å; L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 3.24Å; L215-S219 PolarHBondContact O-OG 3.38Å
216	A	97.9	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-43.1	178.8	0	0	0	0	0	112.3	V207 G213 Y214 S219 A220 L228 I230 I261 A263	V207-A216 HydrophobicContact CB-CB 4.45Å; G213-A216 PolarHBondContact O-N 2.94Å; Y214-A216 VanDerWaalsContact C-N 3.34Å; Y214-A216 PolarHBondContact O-N 3.49Å; A216-S219 PolarHBondContact O-N 3.09Å; A216-A220 WeakPolarHBondContact O-CB 3.34Å; A216-A220 PolarHBondContact O-N 3.37Å; A216-L228 HydrophobicContact CB-CD1 3.79Å; A216-L228 WeakPolarHBondContact O-CD1 3.48Å; A216-I230 HydrophobicContact CB-CG2 4.01Å; A216-I261 HydrophobicContact CB-CG2 3.83Å; A216-A263 HydrophobicContact CB-CB 3.82Å
217	L	97.6	Very high	95.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.9	-49.3	179.9	174.6	59.9	0	0	0	112	G213 Y214 S219 A220 L221 L228 F378 N381 L382 Y385	G213-L217 VanDerWaalsContact O-CB 3.27Å; G213-L217 WeakPolarHBondContact O-CB 3.47Å; G213-L217 PolarHBondContact O-N 2.85Å; Y214-L217 PolarHBondContact O-N 3.39Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-A220 PolarHBondContact O-N 3.05Å; L217-L221 PolarHBondContact O-N 3.26Å; L217-L221 VanDerWaalsContact O-N 3.12Å; L217-L228 HydrophobicContact CB-CD2 4.11Å; L217-L228 HydrophobicContact CD1-CD2 3.55Å; L217-L228 HydrophobicContact CG-CD2 4.45Å; L217-F378 HydrophobicContact CD2-CD1 4.42Å; L217-F378 HydrophobicContact CD2-CD2 4.26Å; L217-F378 HydrophobicContact CD2-CE1 4.21Å; L217-F378 HydrophobicContact CD2-CE2 4.05Å; L217-F378 HydrophobicContact CD2-CG 4.43Å; L217-F378 HydrophobicContact CD2-CZ 4.02Å; L217-N381 HydrophobicContact CD2-CB 3.8Å; L217-N381 HydrophobicContact CG-CB 4.15Å; L217-L382 HydrophobicContact CD1-CD1 4.33Å; L217-L382 HydrophobicContact CD2-CB 4.16Å; L217-Y385 HydrophobicContact CD1-CG 4.25Å
218	V	97.2	Very high	95	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-39.6	178.4	176.7	0	0	0	0	110.4	L182 Y214 A220 L221 A222 N673	L182-V218 HydrophobicContact CD1-CB 4.2Å; L182-V218 HydrophobicContact CD1-CG1 3.66Å; L182-V218 HydrophobicContact CD2-CB 3.9Å; L182-V218 HydrophobicContact CD2-CG1 3.91Å; L182-V218 HydrophobicContact CG-CG1 4.44Å; Y214-V218 HydrophobicContact CD1-CG2 4.37Å; Y214-V218 HydrophobicContact CD2-CG2 4.31Å; Y214-V218 HydrophobicContact CE1-CG2 3.99Å; Y214-V218 HydrophobicContact CE2-CG2 3.95Å; Y214-V218 WeakPolarHBondContact O-CG2 3.48Å; Y214-V218 PolarHBondContact O-N 3.37Å; V218-A220 VanDerWaalsContact C-N 3.31Å; V218-A220 PolarHBondContact O-N 2.98Å; V218-L221 PolarHBondContact O-N 2.95Å; V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.32Å; V218-A222 PolarHBondContact O-N 3.09Å; V218-N673 HydrophobicContact CG1-CB 4.17Å
219	S	97	Very high	95	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-37.2	174.6	-59.6	0	0	0	0	112.2	I185 L215 A216 L217 A222 S223	I185-S219 VanDerWaalsContact CG2-OG 3.28Å; I185-S219 WeakPolarHBondContact CG2-OG 3.36Å; L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 3.24Å; L215-S219 PolarHBondContact O-OG 3.38Å; A216-S219 PolarHBondContact O-N 3.09Å; L217-S219 VanDerWaalsContact C-N 3.33Å; S219-A222 PolarHBondContact O-N 3.36Å; S219-S223 VanDerWaalsContact O-CB 3.25Å; S219-S223 WeakPolarHBondContact O-CB 3.38Å; S219-S223 PolarHBondContact O-N 3.34Å; S219-S223 PolarHBondContact O-OG 3.09Å
220	A	96.3	Very high	95.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-65.7	-40.6	176.5	0	0	0	0	0	112.1	A216 L217 V218 G224 A225 L228 I261 Y385	A216-A220 WeakPolarHBondContact O-CB 3.34Å; A216-A220 PolarHBondContact O-N 3.37Å; L217-A220 PolarHBondContact O-N 3.05Å; V218-A220 VanDerWaalsContact C-N 3.31Å; V218-A220 PolarHBondContact O-N 2.98Å; A220-G224 WeakPolarHBondContact O-CA 3.34Å; A220-G224 PolarHBondContact O-N 3.39Å; A220-A225 HydrophobicContact CB-CB 3.93Å; A220-A225 PolarHBondContact O-N 3.28Å; A220-L228 HydrophobicContact CB-CB 4.26Å; A220-L228 HydrophobicContact CB-CD1 4.04Å; A220-L228 HydrophobicContact CB-CD2 4.12Å; A220-L228 HydrophobicContact CB-CG 4.36Å; A220-I261 HydrophobicContact CB-CD1 4.17Å; A220-Y385 HydrophobicContact CB-CD2 4.12Å; A220-Y385 HydrophobicContact CB-CE2 4.04Å
221	L	95.5	Very high	95.5	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.026	6%	0.06	C	C	.	.	H	α-helix	trans	-65.9	-46.4	173.8	-70.8	171.2	0	0	0	111.6	L217 V218 S223 G224 N381 I384 L388 N673 T676	L217-L221 PolarHBondContact O-N 3.26Å; L217-L221 VanDerWaalsContact O-N 3.12Å; V218-L221 PolarHBondContact O-N 2.95Å; L221-S223 PolarHBondContact O-N 2.97Å; L221-G224 PolarHBondContact O-N 3.06Å; L221-N381 HydrophobicContact CD1-CB 3.81Å; L221-I384 HydrophobicContact CD2-CG2 3.93Å; L221-L388 HydrophobicContact CD2-CD1 4.47Å; L221-N673 WeakPolarHBondContact CD1-OD1 3.48Å; L221-T676 HydrophobicContact CD2-CG2 4.3Å
222	A	95.5	Very high	95.7	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-72.3	-24.8	-176.6	0	0	0	0	0	114.2	M186 V218 S219 T459 R672	M186-A222 HydrophobicContact CG-CB 4.38Å; M186-A222 HydrophobicContact SD-CB 3.79Å; V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.32Å; V218-A222 PolarHBondContact O-N 3.09Å; S219-A222 PolarHBondContact O-N 3.36Å; A222-T459 WeakPolarHBondContact O-CG2 3.12Å; A222-R672 HydrophobicContact CB-CB 3.89Å; A222-R672 VanDerWaalsContact O-CD 3.23Å; A222-R672 WeakPolarHBondContact O-CD 3.43Å
223	S	93.1	Very high	95.7	Very high	12 Å²	12	7.7 Å²	7.7	8%	0.084	5%	0.05	C	C	.	.	H	α-helix	trans	-95.9	-20.5	173.7	62.4	0	0	0	0	113.4	S219 L221	S219-S223 VanDerWaalsContact O-CB 3.25Å; S219-S223 WeakPolarHBondContact O-CB 3.38Å; S219-S223 PolarHBondContact O-N 3.34Å; S219-S223 PolarHBondContact O-OG 3.09Å; L221-S223 PolarHBondContact O-N 2.97Å
224	G	90	Very high	95.6	Very high	21 Å²	21	8.6 Å²	8.6	22%	0.216	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	38.7	-171.6	0	0	0	0	0	113.3	A220 L221	A220-G224 WeakPolarHBondContact O-CA 3.34Å; A220-G224 PolarHBondContact O-N 3.39Å; L221-G224 PolarHBondContact O-N 3.06Å
225	A	92.6	Very high	95.5	Very high	7 Å²	7	8.4 Å²	8.4	6%	0.058	6%	0.057	C	C	.	.			trans	-56	146.9	-176.8	0	0	0	0	0	113.6	A220 I259 I261	A220-A225 HydrophobicContact CB-CB 3.93Å; A220-A225 PolarHBondContact O-N 3.28Å; A225-I259 HydrophobicContact CB-CB 4.47Å; A225-I259 HydrophobicContact CB-CG2 4.25Å; A225-I261 HydrophobicContact CB-CD1 4.04Å; A225-I261 HydrophobicContact CB-CG1 4.03Å
226	D	91.6	Very high	95.1	Very high	19 Å²	19	15.1 Å²	15.1	10%	0.102	9%	0.092	C	C	.	.	S	Bend	trans	-78.5	-26.4	177.5	-62.1	-90.9	0	0	0	112.4	R246 L247 S250 N258 I259	D226-R246 PolarHBondContact O-NE 3.25Å; D226-R246 VanDerWaalsContact O-NE 3.17Å; D226-R246 PolarHBondContact O-NH1 2.95Å; D226-R246 VanDerWaalsContact O-NH1 3.09Å; D226-R246 PolarHBondContact O-NH2 2.91Å; D226-L247 HydrophobicContact CB-CD2 3.84Å; D226-S250 PolarHBondContact OD1-OG 3.46Å; D226-N258 WeakPolarHBondContact OD2-CA 3.46Å; D226-I259 PolarHBondContact N-O 3.4Å; D226-I259 PolarHBondContact OD2-N 3Å
227	W	95.3	Very high	94.7	Very high	15 Å²	15	22.7 Å²	22.7	6%	0.057	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.2	174.1	-155.6	-85.5	0	0	0	111.8	F229 W239 L242 M243 R246 I259 I260 I261 Y385 F390	W227-F229 AromaticContact CD1-CD2 3.74Å; W227-F229 AromaticContact CD1-CE2 3.24Å; W227-F229 AromaticContact CD1-CZ 3.38Å; W227-F229 HydrophobicContact CG-CE2 4.25Å; W227-F229 HydrophobicContact CG-CZ 4.44Å; W227-F229 AromaticContact NE1-CE1 3.64Å; W227-F229 AromaticContact NE1-CE2 3.75Å; W227-F229 AromaticContact NE1-CZ 3.36Å; W227-W239 HydrophobicContact CZ2-CB 4.39Å; W227-L242 HydrophobicContact CH2-CB 4.03Å; W227-M243 HydrophobicContact CB-CG 4.29Å; W227-M243 HydrophobicContact CB-SD 4.47Å; W227-M243 HydrophobicContact CD2-CB 3.97Å; W227-M243 HydrophobicContact CD2-CG 3.7Å; W227-M243 HydrophobicContact CD2-SD 4.41Å; W227-M243 HydrophobicContact CE3-CB 3.87Å; W227-M243 HydrophobicContact CE3-CG 3.78Å; W227-M243 HydrophobicContact CG-CG 3.93Å; W227-M243 HydrophobicContact CG-SD 4.14Å; W227-M243 HydrophobicContact CH2-CB 4.02Å; W227-M243 HydrophobicContact CZ2-CB 4.14Å; W227-M243 HydrophobicContact CZ3-CB 3.86Å; W227-M243 HydrophobicContact CZ3-CG 4.3Å; W227-R246 HydrophobicContact CZ3-CB 4.38Å; W227-I259 PolarHBondContact N-O 2.94Å; W227-I260 HydrophobicContact CB-CG1 4.21Å; W227-I260 HydrophobicContact CB-CG2 4.15Å; W227-I260 WeakPolarHBondContact O-CA 3.42Å; W227-I261 PolarHBondContact O-N 3.31Å; W227-Y385 VanDerWaalsContact C-OH 3.3Å; W227-Y385 VanDerWaalsContact CA-OH 3.31Å; W227-Y385 WeakPolarHBondContact CA-OH 3.48Å; W227-F390 HydrophobicContact CD2-CZ 4.34Å; W227-F390 AromaticContact CE3-CE1 3.93Å; W227-F390 HydrophobicContact CE3-CE1 3.93Å; W227-F390 AromaticContact CE3-CZ 3.99Å; W227-F390 HydrophobicContact CE3-CZ 3.99Å; W227-F390 AromaticContact CH2-CE1 3.51Å; W227-F390 HydrophobicContact CH2-CE1 3.51Å; W227-F390 AromaticContact CH2-CZ 3.72Å; W227-F390 HydrophobicContact CH2-CZ 3.72Å; W227-F390 HydrophobicContact CZ2-CE1 4.31Å; W227-F390 HydrophobicContact CZ2-CZ 4.06Å; W227-F390 HydrophobicContact CZ3-CD1 4.49Å; W227-F390 AromaticContact CZ3-CE1 3.29Å; W227-F390 HydrophobicContact CZ3-CE1 3.29Å; W227-F390 AromaticContact CZ3-CZ 3.7Å; W227-F390 HydrophobicContact CZ3-CZ 3.7Å
228	L	96.7	Very high	94.4	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.084	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.8	-176.7	174.2	63.8	0	0	0	109.1	A216 L217 A220 I230 I261 Y385	A216-L228 HydrophobicContact CB-CD1 3.79Å; A216-L228 WeakPolarHBondContact O-CD1 3.48Å; L217-L228 HydrophobicContact CB-CD2 4.11Å; L217-L228 HydrophobicContact CD1-CD2 3.55Å; L217-L228 HydrophobicContact CG-CD2 4.45Å; A220-L228 HydrophobicContact CB-CB 4.26Å; A220-L228 HydrophobicContact CB-CD1 4.04Å; A220-L228 HydrophobicContact CB-CD2 4.12Å; A220-L228 HydrophobicContact CB-CG 4.36Å; L228-I230 HydrophobicContact CD1-CG2 3.73Å; L228-I230 HydrophobicContact CD2-CG2 4Å; L228-I230 HydrophobicContact CG-CG2 3.85Å; L228-I261 CarbonylContact C-O 3.58Å; L228-I261 WeakPolarHBondContact CA-O 3.48Å; L228-I261 HydrophobicContact CD1-CB 4.2Å; L228-I261 HydrophobicContact CD1-CG2 4.11Å; L228-Y385 HydrophobicContact CB-CD1 4.49Å; L228-Y385 HydrophobicContact CB-CE1 3.68Å; L228-Y385 HydrophobicContact CB-CE2 3.92Å; L228-Y385 WeakPolarHBondContact CB-OH 3.42Å; L228-Y385 HydrophobicContact CD2-CD1 4Å; L228-Y385 HydrophobicContact CD2-CD2 4.43Å; L228-Y385 HydrophobicContact CD2-CE1 4.01Å; L228-Y385 HydrophobicContact CD2-CE2 4.44Å; L228-Y385 HydrophobicContact CD2-CG 4.23Å; L228-Y385 HydrophobicContact CG-CE1 4.45Å; L228-Y385 PolarHBondContact N-OH 2.69Å
229	F	97.6	Very high	94.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.1	167.2	-61.8	-90.2	0	0	0	109.5	W227 P235 W239 M243 I260 I261 V262 A263 A266 I274 V279	W227-F229 AromaticContact CD1-CD2 3.74Å; W227-F229 AromaticContact CD1-CE2 3.24Å; W227-F229 AromaticContact CD1-CZ 3.38Å; W227-F229 HydrophobicContact CG-CE2 4.25Å; W227-F229 HydrophobicContact CG-CZ 4.44Å; W227-F229 AromaticContact NE1-CE1 3.64Å; W227-F229 AromaticContact NE1-CE2 3.75Å; W227-F229 AromaticContact NE1-CZ 3.36Å; F229-P235 HydrophobicContact CD1-CG 4.06Å; F229-P235 HydrophobicContact CE1-CB 4.45Å; F229-P235 HydrophobicContact CE1-CG 4.03Å; F229-W239 HydrophobicContact CE1-CD2 4.04Å; F229-W239 AromaticContact CE1-CE3 3.68Å; F229-W239 HydrophobicContact CE1-CE3 3.68Å; F229-W239 AromaticContact CE1-CH2 3.76Å; F229-W239 HydrophobicContact CE1-CH2 3.76Å; F229-W239 HydrophobicContact CE1-CZ2 4.05Å; F229-W239 AromaticContact CE1-CZ3 3.6Å; F229-W239 HydrophobicContact CE1-CZ3 3.6Å; F229-W239 HydrophobicContact CE2-CZ3 4.45Å; F229-W239 HydrophobicContact CZ-CD2 4.44Å; F229-W239 AromaticContact CZ-CE3 3.64Å; F229-W239 HydrophobicContact CZ-CE3 3.64Å; F229-W239 AromaticContact CZ-CH2 3.72Å; F229-W239 HydrophobicContact CZ-CH2 3.72Å; F229-W239 HydrophobicContact CZ-CZ2 4.46Å; F229-W239 AromaticContact CZ-CZ3 3.27Å; F229-W239 HydrophobicContact CZ-CZ3 3.27Å; F229-M243 HydrophobicContact CE2-SD 4.07Å; F229-M243 HydrophobicContact CZ-SD 3.86Å; F229-I260 HydrophobicContact CD2-CG2 4.08Å; F229-I260 HydrophobicContact CE2-CG2 3.74Å; F229-I261 PolarHBondContact N-O 2.68Å; F229-V262 HydrophobicContact CB-CG1 4.27Å; F229-V262 HydrophobicContact CD2-CG2 3.88Å; F229-A263 WeakPolarHBondContact O-CB 3.39Å; F229-A263 PolarHBondContact O-N 2.74Å; F229-A266 HydrophobicContact CB-CB 3.8Å; F229-I274 HydrophobicContact CD1-CD1 3.84Å; F229-I274 HydrophobicContact CD1-CG2 4.16Å; F229-I274 HydrophobicContact CE1-CD1 4.15Å; F229-I274 HydrophobicContact CE1-CG2 4.32Å; F229-V279 HydrophobicContact CE2-CG1 4.27Å; F229-V279 HydrophobicContact CE2-CG2 3.96Å; F229-V279 HydrophobicContact CZ-CG2 4.19Å
230	I	97.6	Very high	94.1	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-129.5	148.3	174.5	54.9	168.5	0	0	0	109.9	A216 L228 E232 A233 A263 F378 L382	A216-I230 HydrophobicContact CB-CG2 4.01Å; L228-I230 HydrophobicContact CD1-CG2 3.73Å; L228-I230 HydrophobicContact CD2-CG2 4Å; L228-I230 HydrophobicContact CG-CG2 3.85Å; I230-E232 VanDerWaalsContact C-N 3.31Å; I230-E232 HydrophobicContact CD1-CB 4.48Å; I230-E232 PolarHBondContact O-N 2.9Å; I230-A233 HydrophobicContact CD1-CB 3.95Å; I230-A233 HydrophobicContact CG1-CB 4Å; I230-A233 CarbonylContact O-C 3.57Å; I230-A233 PolarHBondContact O-N 3.41Å; I230-A263 HydrophobicContact CG2-CB 4.5Å; I230-F378 HydrophobicContact CD1-CE1 4.35Å; I230-F378 HydrophobicContact CD1-CZ 4.08Å; I230-L382 HydrophobicContact CD1-CD1 3.87Å
231	P	96.4	Very high	94	Very high	4 Å²	4	31 Å²	31	3%	0.026	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-35.2	178.7	24.9	-31.8	0	0	0	112.2	A233 P234 G265 I267 M362	P231-A233 PolarHBondContact O-N 3.15Å; P231-P234 VanDerWaalsContact O-CD 3.26Å; P231-P234 WeakPolarHBondContact O-CD 3.37Å; P231-P234 WeakPolarHBondContact O-CG 3.43Å; P231-G265 WeakPolarHBondContact CB-O 3.28Å; P231-I267 HydrophobicContact CB-CG1 4.35Å; P231-M362 HydrophobicContact CB-CE 3.55Å; P231-M362 HydrophobicContact CG-CE 4.49Å; P231-M362 WeakPolarHBondContact O-CE 3.3Å
232	E	95.7	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.5	-175.8	-62.1	91.1	161.1	0	0	114	C212 G213 I230 M362 V371 R374 F378	C212-E232 WeakPolarHBondContact CA-OE1 3.45Å; C212-E232 PolarHBondContact SG-OE1 3.25Å; C212-E232 VanDerWaalsContact SG-OE1 3.34Å; G213-E232 VanDerWaalsContact CA-OE2 3.3Å; G213-E232 WeakPolarHBondContact CA-OE2 3.16Å; G213-E232 VanDerWaalsContact N-CD 3.3Å; G213-E232 PolarHBondContact N-OE1 3.33Å; G213-E232 PolarHBondContact N-OE2 3.49Å; I230-E232 VanDerWaalsContact C-N 3.31Å; I230-E232 HydrophobicContact CD1-CB 4.48Å; I230-E232 PolarHBondContact O-N 2.9Å; E232-M362 HydrophobicContact CG-SD 4.39Å; E232-V371 HydrophobicContact CB-CG2 3.99Å; E232-V371 WeakPolarHBondContact O-CG2 3.37Å; E232-R374 HydrophobicContact CG-CG 4.19Å; E232-R374 IonicContact OE1-CZ 2.64Å; E232-R374 IonicContact OE1-NE 3.87Å; E232-R374 PolarHBondContact OE1-NE 3.48Å; E232-R374 IonicContact OE1-NH2 3.01Å; E232-R374 PolarHBondContact OE1-NH2 3.31Å; E232-F378 HydrophobicContact CB-CE1 3.92Å; E232-F378 HydrophobicContact CB-CZ 4.01Å; E232-F378 HydrophobicContact CG-CE1 4.14Å; E232-F378 HydrophobicContact CG-CZ 3.92Å
233	A	95.1	Very high	93.8	Very high	29 Å²	29	36 Å²	36	24%	0.24	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-137	74.4	176.1	0	0	0	0	0	109.8	I230 P231 L382	I230-A233 HydrophobicContact CD1-CB 3.95Å; I230-A233 HydrophobicContact CG1-CB 4Å; I230-A233 CarbonylContact O-C 3.57Å; I230-A233 PolarHBondContact O-N 3.41Å; P231-A233 PolarHBondContact O-N 3.15Å; A233-L382 HydrophobicContact CB-CD1 4.26Å; A233-L382 HydrophobicContact CB-CD2 3.79Å
234	P	95.1	Very high	93.8	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.123	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-57.4	145.9	177.6	-23.5	36.1	0	0	0	110.8	P231 I267 F367	P231-P234 VanDerWaalsContact O-CD 3.26Å; P231-P234 WeakPolarHBondContact O-CD 3.37Å; P231-P234 WeakPolarHBondContact O-CG 3.43Å; P234-I267 WeakPolarHBondContact CB-O 3.43Å; P234-I267 HydrophobicContact CG-CD1 4.35Å; P234-I267 HydrophobicContact CG-CG1 4.11Å; P234-F367 HydrophobicContact CG-CD1 3.72Å; P234-F367 HydrophobicContact CG-CD2 4.04Å; P234-F367 HydrophobicContact CG-CE1 3.55Å; P234-F367 HydrophobicContact CG-CE2 3.87Å; P234-F367 HydrophobicContact CG-CG 3.98Å; P234-F367 HydrophobicContact CG-CZ 3.63Å
235	P	93.3	Very high	93.9	Very high	18 Å²	18	37.4 Å²	37.4	12%	0.117	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-66	146.8	177.5	30.3	-36.2	0	0	0	111.2	F229 W239 I267 I274	F229-P235 HydrophobicContact CD1-CG 4.06Å; F229-P235 HydrophobicContact CE1-CB 4.45Å; F229-P235 HydrophobicContact CE1-CG 4.03Å; P235-W239 HydrophobicContact CB-CB 3.61Å; P235-W239 HydrophobicContact CB-CD2 4.18Å; P235-W239 HydrophobicContact CB-CG 3.52Å; P235-W239 HydrophobicContact CG-CB 4.48Å; P235-W239 HydrophobicContact CG-CD2 4.19Å; P235-W239 HydrophobicContact CG-CG 3.88Å; P235-I267 WeakPolarHBondContact CD-O 3.3Å; P235-I274 HydrophobicContact CG-CD1 3.58Å
236	L	90.1	Very high	93.7	Very high	142 Å²	142	39.1 Å²	39.1	74%	0.743	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-71.3	163.1	174.4	-61.5	177.2	0	0	0	111.1	W239	L236-W239 VanDerWaalsContact O-CB 3.3Å; L236-W239 WeakPolarHBondContact O-CB 3.32Å; L236-W239 VanDerWaalsContact O-CD1 3.25Å; L236-W239 PolarHBondContact O-N 3.04Å
237	E	89.4	Confident	93.7	Very high	159 Å²	159	38.2 Å²	38.2	74%	0.743	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	143	173.2	-67.9	-170.5	169.6	0	0	111.7	W239	E237-W239 VanDerWaalsContact C-N 3.29Å
238	G	91	Very high	93.5	Very high	34 Å²	34	42 Å²	42	35%	0.351	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.7	-175.2	0	0	0	0	0	114.4	E240 D241 L242	G238-E240 PolarHBondContact O-N 3.08Å; G238-D241 PolarHBondContact O-N 3.48Å; G238-L242 PolarHBondContact O-N 2.99Å
239	W	93.4	Very high	93	Very high	13 Å²	13	46.6 Å²	46.6	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-28.1	176.6	69.5	-93.3	0	0	0	113.2	W227 F229 P235 L236 E237 D241 L242 M243 I274 Y278 V279 L282	W227-W239 HydrophobicContact CZ2-CB 4.39Å; F229-W239 HydrophobicContact CE1-CD2 4.04Å; F229-W239 AromaticContact CE1-CE3 3.68Å; F229-W239 HydrophobicContact CE1-CE3 3.68Å; F229-W239 AromaticContact CE1-CH2 3.76Å; F229-W239 HydrophobicContact CE1-CH2 3.76Å; F229-W239 HydrophobicContact CE1-CZ2 4.05Å; F229-W239 AromaticContact CE1-CZ3 3.6Å; F229-W239 HydrophobicContact CE1-CZ3 3.6Å; F229-W239 HydrophobicContact CE2-CZ3 4.45Å; F229-W239 HydrophobicContact CZ-CD2 4.44Å; F229-W239 AromaticContact CZ-CE3 3.64Å; F229-W239 HydrophobicContact CZ-CE3 3.64Å; F229-W239 AromaticContact CZ-CH2 3.72Å; F229-W239 HydrophobicContact CZ-CH2 3.72Å; F229-W239 HydrophobicContact CZ-CZ2 4.46Å; F229-W239 AromaticContact CZ-CZ3 3.27Å; F229-W239 HydrophobicContact CZ-CZ3 3.27Å; P235-W239 HydrophobicContact CB-CB 3.61Å; P235-W239 HydrophobicContact CB-CD2 4.18Å; P235-W239 HydrophobicContact CB-CG 3.52Å; P235-W239 HydrophobicContact CG-CB 4.48Å; P235-W239 HydrophobicContact CG-CD2 4.19Å; P235-W239 HydrophobicContact CG-CG 3.88Å; L236-W239 VanDerWaalsContact O-CB 3.3Å; L236-W239 WeakPolarHBondContact O-CB 3.32Å; L236-W239 VanDerWaalsContact O-CD1 3.25Å; L236-W239 PolarHBondContact O-N 3.04Å; E237-W239 VanDerWaalsContact C-N 3.29Å; W239-D241 VanDerWaalsContact C-N 3.29Å; W239-D241 PolarHBondContact O-N 3.35Å; W239-L242 PolarHBondContact O-N 2.86Å; W239-M243 HydrophobicContact CE3-CB 4.28Å; W239-M243 HydrophobicContact CE3-SD 4.33Å; W239-M243 HydrophobicContact CZ3-CE 3.89Å; W239-M243 HydrophobicContact CZ3-SD 3.9Å; W239-M243 WeakPolarHBondContact O-CB 3.45Å; W239-M243 PolarHBondContact O-N 3.47Å; W239-I274 HydrophobicContact CH2-CG2 4.41Å; W239-I274 HydrophobicContact CZ2-CD1 4.17Å; W239-I274 HydrophobicContact CZ2-CG2 4.36Å; W239-Y278 HydrophobicContact CH2-CD1 4.25Å; W239-Y278 AromaticContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CZ2-CD1 4.31Å; W239-Y278 AromaticContact CZ2-CE1 3.62Å; W239-Y278 HydrophobicContact CZ2-CE1 3.62Å; W239-V279 HydrophobicContact CH2-CG2 4.28Å; W239-L282 HydrophobicContact CH2-CD2 3.96Å; W239-L282 HydrophobicContact CZ3-CD2 3.77Å
240	E	94.9	Very high	92.4	Very high	36 Å²	36	47.9 Å²	47.9	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-44.6	178.1	-68.4	91.7	163.1	0	0	111.3	G238 C244 Y278 L282	G238-E240 PolarHBondContact O-N 3.08Å; E240-C244 WeakPolarHBondContact O-CB 3.33Å; E240-C244 PolarHBondContact O-N 3.09Å; E240-C244 PolarHBondContact O-SG 3.36Å; E240-Y278 PolarHBondContact OE1-OH 3.08Å; E240-L282 HydrophobicContact CB-CD1 4.06Å; E240-L282 HydrophobicContact CB-CD2 3.74Å; E240-L282 HydrophobicContact CG-CD1 4.06Å; E240-L282 HydrophobicContact CG-CD2 3.49Å; E240-L282 VanDerWaalsContact CG-CD2 3.49Å; E240-L282 HydrophobicContact CG-CG 4.44Å
241	D	94.1	Very high	91.9	Very high	95 Å²	95	49.6 Å²	49.6	51%	0.508	27%	0.267	S	S	.	.	H	α-helix	trans	-70.9	-43.6	177.9	-70.4	-63.7	0	0	0	111.5	G238 W239 M243 C244 A245 R286	G238-D241 PolarHBondContact O-N 3.48Å; W239-D241 VanDerWaalsContact C-N 3.29Å; W239-D241 PolarHBondContact O-N 3.35Å; D241-M243 VanDerWaalsContact C-N 3.33Å; D241-M243 PolarHBondContact O-N 3.01Å; D241-C244 PolarHBondContact O-N 3.23Å; D241-A245 VanDerWaalsContact O-CB 3.31Å; D241-A245 WeakPolarHBondContact O-CB 3.37Å; D241-A245 PolarHBondContact O-N 3.36Å; D241-R286 IonicContact OD1-CZ 3Å; D241-R286 IonicContact OD1-NH1 2.79Å; D241-R286 PolarHBondContact OD1-NH1 2.95Å; D241-R286 IonicContact OD2-NH1 3.86Å; D241-R286 PolarHBondContact OD2-NH1 3.39Å
242	L	91.8	Very high	91.4	Very high	111 Å²	111	55.3 Å²	55.3	58%	0.581	30%	0.297	S	S	*	.	H	α-helix	trans	-61.8	-41.3	177.7	-66.9	172.9	0	0	0	112.2	W227 G238 W239 R246	W227-L242 HydrophobicContact CH2-CB 4.03Å; G238-L242 PolarHBondContact O-N 2.99Å; W239-L242 PolarHBondContact O-N 2.86Å; L242-R246 VanDerWaalsContact O-CB 3.31Å; L242-R246 WeakPolarHBondContact O-CB 3.12Å; L242-R246 PolarHBondContact O-N 2.71Å; L242-R246 VanDerWaalsContact O-N 3.09Å
243	M	94.4	Very high	90.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-49.6	175.9	-175	-172.6	71.8	0	0	110.2	W227 F229 W239 D241 A245 R246 L247 I260 V279 L282 V283	W227-M243 HydrophobicContact CB-CG 4.29Å; W227-M243 HydrophobicContact CB-SD 4.47Å; W227-M243 HydrophobicContact CD2-CB 3.97Å; W227-M243 HydrophobicContact CD2-CG 3.7Å; W227-M243 HydrophobicContact CD2-SD 4.41Å; W227-M243 HydrophobicContact CE3-CB 3.87Å; W227-M243 HydrophobicContact CE3-CG 3.78Å; W227-M243 HydrophobicContact CG-CG 3.93Å; W227-M243 HydrophobicContact CG-SD 4.14Å; W227-M243 HydrophobicContact CH2-CB 4.02Å; W227-M243 HydrophobicContact CZ2-CB 4.14Å; W227-M243 HydrophobicContact CZ3-CB 3.86Å; W227-M243 HydrophobicContact CZ3-CG 4.3Å; F229-M243 HydrophobicContact CE2-SD 4.07Å; F229-M243 HydrophobicContact CZ-SD 3.86Å; W239-M243 HydrophobicContact CE3-CB 4.28Å; W239-M243 HydrophobicContact CE3-SD 4.33Å; W239-M243 HydrophobicContact CZ3-CE 3.89Å; W239-M243 HydrophobicContact CZ3-SD 3.9Å; W239-M243 WeakPolarHBondContact O-CB 3.45Å; W239-M243 PolarHBondContact O-N 3.47Å; D241-M243 VanDerWaalsContact C-N 3.33Å; D241-M243 PolarHBondContact O-N 3.01Å; M243-A245 PolarHBondContact O-N 3.41Å; M243-R246 PolarHBondContact O-N 3.38Å; M243-L247 HydrophobicContact CE-CD1 4.39Å; M243-L247 HydrophobicContact CG-CD1 3.98Å; M243-L247 HydrophobicContact CG-CG 4.34Å; M243-L247 VanDerWaalsContact O-CG 3.28Å; M243-L247 WeakPolarHBondContact O-CG 3.46Å; M243-L247 PolarHBondContact O-N 3.43Å; M243-I260 HydrophobicContact SD-CD1 4.13Å; M243-V279 HydrophobicContact CE-CG1 4.2Å; M243-V279 HydrophobicContact SD-CG1 4.26Å; M243-L282 HydrophobicContact CE-CD2 3.66Å; M243-L282 HydrophobicContact CE-CG 4.43Å; M243-V283 HydrophobicContact CE-CG2 3.76Å
244	C	93.8	Very high	89.8	Confident	8 Å²	8	61.4 Å²	61.4	5%	0.054	33%	0.334	C	S	.	.	H	α-helix	trans	-60.1	-47.9	-179.4	-70.3	0	0	0	0	112	E240 D241 R246 L247 E248 L287	E240-C244 WeakPolarHBondContact O-CB 3.33Å; E240-C244 PolarHBondContact O-N 3.09Å; E240-C244 PolarHBondContact O-SG 3.36Å; D241-C244 PolarHBondContact O-N 3.23Å; C244-R246 PolarHBondContact O-N 3Å; C244-L247 PolarHBondContact O-N 3.06Å; C244-E248 WeakPolarHBondContact O-CB 3.35Å; C244-E248 PolarHBondContact O-N 3.37Å; C244-L287 HydrophobicContact CB-CD1 4.14Å; C244-L287 HydrophobicContact CB-CD2 3.98Å; C244-L287 HydrophobicContact CB-CG 4.07Å
245	A	91.7	Very high	89.2	Confident	55 Å²	55	62.1 Å²	62.1	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-36.1	177.4	0	0	0	0	0	112.2	D241 M243 K249	D241-A245 VanDerWaalsContact O-CB 3.31Å; D241-A245 WeakPolarHBondContact O-CB 3.37Å; D241-A245 PolarHBondContact O-N 3.36Å; M243-A245 PolarHBondContact O-N 3.41Å; A245-K249 VanDerWaalsContact O-CB 3.3Å; A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 PolarHBondContact O-N 3.05Å
246	R	88.8	Confident	88.7	Confident	43 Å²	43	66.2 Å²	66.2	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-71.3	-45.7	177.5	178.3	172.2	171.7	-167	-10.6	112.7	D226 W227 L242 M243 C244 E248 K249 S250 A389 F390	D226-R246 PolarHBondContact O-NE 3.25Å; D226-R246 VanDerWaalsContact O-NE 3.17Å; D226-R246 PolarHBondContact O-NH1 2.95Å; D226-R246 VanDerWaalsContact O-NH1 3.09Å; D226-R246 PolarHBondContact O-NH2 2.91Å; W227-R246 HydrophobicContact CZ3-CB 4.38Å; L242-R246 VanDerWaalsContact O-CB 3.31Å; L242-R246 WeakPolarHBondContact O-CB 3.12Å; L242-R246 PolarHBondContact O-N 2.71Å; L242-R246 VanDerWaalsContact O-N 3.09Å; M243-R246 PolarHBondContact O-N 3.38Å; C244-R246 PolarHBondContact O-N 3Å; R246-E248 VanDerWaalsContact C-N 3.26Å; R246-E248 PolarHBondContact O-N 3.06Å; R246-K249 PolarHBondContact O-N 3.19Å; R246-S250 WeakPolarHBondContact O-CB 3.36Å; R246-S250 PolarHBondContact O-N 3.46Å; R246-A389 PolarHBondContact NE-O 2.76Å; R246-A389 VanDerWaalsContact NE-O 3.13Å; R246-A389 VanDerWaalsContact NH1-C 3.3Å; R246-A389 VanDerWaalsContact NH1-CB 3.28Å; R246-A389 PolarHBondContact NH1-O 2.7Å; R246-A389 VanDerWaalsContact NH2-CB 3.25Å; R246-A389 PolarHBondContact NH2-O 3.37Å; R246-A389 VanDerWaalsContact NH2-O 3.08Å; R246-F390 VanDerWaalsContact NH1-CZ 3.3Å
247	L	91.6	Very high	88.7	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-44.1	177.3	-66.5	171.8	0	0	0	110.1	D226 M243 C244 S250 R251 N258 I260 V283 L287 Y289	D226-L247 HydrophobicContact CB-CD2 3.84Å; M243-L247 HydrophobicContact CE-CD1 4.39Å; M243-L247 HydrophobicContact CG-CD1 3.98Å; M243-L247 HydrophobicContact CG-CG 4.34Å; M243-L247 VanDerWaalsContact O-CG 3.28Å; M243-L247 WeakPolarHBondContact O-CG 3.46Å; M243-L247 PolarHBondContact O-N 3.43Å; C244-L247 PolarHBondContact O-N 3.06Å; L247-S250 WeakPolarHBondContact O-CB 3.49Å; L247-S250 PolarHBondContact O-N 3.38Å; L247-R251 WeakPolarHBondContact O-CB 3.39Å; L247-R251 PolarHBondContact O-N 2.61Å; L247-N258 HydrophobicContact CD2-CB 3.81Å; L247-I260 HydrophobicContact CD1-CD1 3.91Å; L247-I260 HydrophobicContact CD2-CD1 4.36Å; L247-I260 HydrophobicContact CD2-CG1 4.33Å; L247-V283 HydrophobicContact CD1-CG2 3.88Å; L247-L287 HydrophobicContact CB-CD1 3.82Å; L247-L287 HydrophobicContact CD1-CD1 4.07Å; L247-Y289 HydrophobicContact CB-CE2 4.45Å
248	E	91.2	Very high	88.7	Confident	93 Å²	93	53.5 Å²	53.5	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-46.6	174.9	-174.5	178.8	-141.5	0	0	112.3	C244 R246 S250 R251 N252 L287 Y289	C244-E248 WeakPolarHBondContact O-CB 3.35Å; C244-E248 PolarHBondContact O-N 3.37Å; R246-E248 VanDerWaalsContact C-N 3.26Å; R246-E248 PolarHBondContact O-N 3.06Å; E248-S250 VanDerWaalsContact C-N 3.33Å; E248-S250 PolarHBondContact O-N 2.95Å; E248-R251 WeakPolarHBondContact O-CB 3.19Å; E248-R251 PolarHBondContact O-N 3.49Å; E248-R251 VanDerWaalsContact O-N 3.16Å; E248-N252 WeakPolarHBondContact O-CB 3.47Å; E248-N252 VanDerWaalsContact O-CG 3.26Å; E248-N252 PolarHBondContact O-N 3.29Å; E248-L287 HydrophobicContact CB-CD2 4.28Å; E248-Y289 WeakPolarHBondContact CA-OH 3.34Å
249	K	87.1	Confident	88.8	Confident	113 Å²	113	52.1 Å²	52.1	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-41.2	175.6	-173.5	176.7	-175.6	175.8	0	112.3	A245 R246 R251 K253	A245-K249 VanDerWaalsContact O-CB 3.3Å; A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 PolarHBondContact O-N 3.05Å; R246-K249 PolarHBondContact O-N 3.19Å; K249-R251 VanDerWaalsContact C-N 3.3Å; K249-K253 HydrophobicContact CG-CD 4.26Å; K249-K253 WeakPolarHBondContact O-CB 3.39Å; K249-K253 WeakPolarHBondContact O-CG 3.47Å; K249-K253 PolarHBondContact O-N 3.08Å; K249-K253 VanDerWaalsContact O-N 3.15Å
250	S	85.1	Confident	89	Confident	29 Å²	29	51.5 Å²	51.5	20%	0.203	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-43	176.2	-169.4	0	0	0	0	110.4	D226 R246 L247 E248 S255	D226-S250 PolarHBondContact OD1-OG 3.46Å; R246-S250 WeakPolarHBondContact O-CB 3.36Å; R246-S250 PolarHBondContact O-N 3.46Å; L247-S250 WeakPolarHBondContact O-CB 3.49Å; L247-S250 PolarHBondContact O-N 3.38Å; E248-S250 VanDerWaalsContact C-N 3.33Å; E248-S250 PolarHBondContact O-N 2.95Å; S250-S255 WeakPolarHBondContact O-CB 3.13Å; S250-S255 PolarHBondContact O-N 2.84Å; S250-S255 WeakPolarHBondContact OG-CB 3.32Å
251	R	85.7	Confident	89.1	Confident	41 Å²	41	49.8 Å²	49.8	16%	0.155	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-49.8	178.5	-158.2	78.8	-169.1	-141	-18.9	113.4	Q200 L247 E248 K249 K253 G254 S255 R256 Y289	Q200-R251 PolarHBondContact O-NH1 3.06Å; Q200-R251 PolarHBondContact O-NH2 3.21Å; L247-R251 WeakPolarHBondContact O-CB 3.39Å; L247-R251 PolarHBondContact O-N 2.61Å; E248-R251 WeakPolarHBondContact O-CB 3.19Å; E248-R251 PolarHBondContact O-N 3.49Å; E248-R251 VanDerWaalsContact O-N 3.16Å; K249-R251 VanDerWaalsContact C-N 3.3Å; R251-K253 PolarHBondContact O-N 3.29Å; R251-G254 WeakPolarHBondContact O-CA 3.45Å; R251-G254 PolarHBondContact O-N 3.12Å; R251-S255 VanDerWaalsContact CD-O 3.24Å; R251-S255 WeakPolarHBondContact CD-O 3.27Å; R251-S255 PolarHBondContact NE-O 2.84Å; R251-R256 PolarHBondContact NH1-O 2.84Å; R251-Y289 HydrophobicContact CB-CE2 4.42Å; R251-Y289 WeakPolarHBondContact CB-OH 3.3Å; R251-Y289 HydrophobicContact CG-CE2 4.46Å
252	N	85.7	Confident	89.3	Confident	124 Å²	124	45.4 Å²	45.4	66%	0.663	24%	0.241	S	C	*	.	H	α-helix	trans	-63.2	-27.9	-179.1	-71.3	-12.2	0	0	0	112.1	E248 G254	E248-N252 WeakPolarHBondContact O-CB 3.47Å; E248-N252 VanDerWaalsContact O-CG 3.26Å; E248-N252 PolarHBondContact O-N 3.29Å; N252-G254 PolarHBondContact O-N 2.89Å
253	K	78.4	Confident	89.6	Confident	100 Å²	100	40.1 Å²	40.1	44%	0.435	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	2.3	174.2	-71.2	-176.5	166.5	-159	0	114.2	K249 R251 H453	K249-K253 HydrophobicContact CG-CD 4.26Å; K249-K253 WeakPolarHBondContact O-CB 3.39Å; K249-K253 WeakPolarHBondContact O-CG 3.47Å; K249-K253 PolarHBondContact O-N 3.08Å; K249-K253 VanDerWaalsContact O-N 3.15Å; R251-K253 PolarHBondContact O-N 3.29Å; K253-H453 VanDerWaalsContact CB-NE2 3.26Å; K253-H453 WeakPolarHBondContact CB-NE2 3.34Å; K253-H453 PolarHBondContact O-CD2 2.8Å; K253-H453 PolarHBondContact O-CE1 2.9Å; K253-H453 PolarHBondContact O-NE2 2.84Å; K253-H453 VanDerWaalsContact O-NE2 3.09Å
254	G	78.6	Confident	89.7	Confident	56 Å²	56	44 Å²	44	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.1	2.6	173.2	0	0	0	0	0	115.1	R251 N252 R256	R251-G254 WeakPolarHBondContact O-CA 3.45Å; R251-G254 PolarHBondContact O-N 3.12Å; N252-G254 PolarHBondContact O-N 2.89Å; G254-R256 PolarHBondContact O-N 2.8Å
255	S	82.4	Confident	89.8	Confident	34 Å²	34	44.3 Å²	44.3	24%	0.238	24%	0.236	C	C	.	.			trans	-64.2	128.5	170.1	-168.9	0	0	0	0	109.6	S250 R251 L257	S250-S255 WeakPolarHBondContact O-CB 3.13Å; S250-S255 PolarHBondContact O-N 2.84Å; S250-S255 WeakPolarHBondContact OG-CB 3.32Å; R251-S255 VanDerWaalsContact CD-O 3.24Å; R251-S255 WeakPolarHBondContact CD-O 3.27Å; R251-S255 PolarHBondContact NE-O 2.84Å; S255-L257 PolarHBondContact OG-O 2.83Å
256	R	84.1	Confident	90	Very high	104 Å²	104	41.9 Å²	41.9	39%	0.392	22%	0.216	S	C	.	.			trans	-89	-18.1	177.6	-65.9	-179.2	62	89.4	-0.8	112.7	N197 Q200 R251 G254	N197-R256 PolarHBondContact O-NE 3.44Å; N197-R256 PolarHBondContact O-NH2 3.09Å; N197-R256 VanDerWaalsContact OD1-CB 3.32Å; N197-R256 WeakPolarHBondContact OD1-CB 3.32Å; N197-R256 WeakPolarHBondContact OD1-CD 3.28Å; Q200-R256 CarbonylContact C-O 3.51Å; Q200-R256 VanDerWaalsContact C-O 3.31Å; Q200-R256 WeakPolarHBondContact CA-O 3.41Å; Q200-R256 HydrophobicContact CG-CB 3.92Å; Q200-R256 HydrophobicContact CG-CG 4.21Å; R251-R256 PolarHBondContact NH1-O 2.84Å; G254-R256 PolarHBondContact O-N 2.8Å
257	L	88.6	Confident	90.3	Very high	34 Å²	34	41.4 Å²	41.4	18%	0.178	22%	0.216	C	C	.	.			trans	-129	151.3	-175.5	71.3	97.7	0	0	0	109.9	A196 N197 S255 I259	A196-L257 HydrophobicContact CB-CB 4.01Å; N197-L257 HydrophobicContact CB-CD2 4.07Å; S255-L257 PolarHBondContact OG-O 2.83Å; L257-I259 HydrophobicContact CD1-CD1 3.71Å; L257-I259 HydrophobicContact CD1-CG1 3.56Å
258	N	91.4	Very high	90.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.5	170	-63.6	113.1	0	0	0	110.3	R201 T202 F203 D226 L247	R201-N258 PolarHBondContact O-N 3.2Å; T202-N258 CarbonylContact C-O 3.52Å; T202-N258 WeakPolarHBondContact CA-O 3.49Å; T202-N258 HydrophobicContact CG2-CB 3.89Å; F203-N258 PolarHBondContact N-O 3.25Å; D226-N258 WeakPolarHBondContact OD2-CA 3.46Å; L247-N258 HydrophobicContact CD2-CB 3.81Å
259	I	92.9	Very high	90.4	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.6	178.9	-57.2	175.6	0	0	0	109.2	V189 M193 L205 A225 D226 W227 L257 I261	V189-I259 HydrophobicContact CG1-CD1 4.23Å; M193-I259 HydrophobicContact CG-CD1 3.63Å; M193-I259 HydrophobicContact SD-CD1 3.9Å; L205-I259 HydrophobicContact CD1-CG2 3.83Å; L205-I259 HydrophobicContact CG-CG2 4.41Å; A225-I259 HydrophobicContact CB-CB 4.47Å; A225-I259 HydrophobicContact CB-CG2 4.25Å; D226-I259 PolarHBondContact N-O 3.4Å; D226-I259 PolarHBondContact OD2-N 3Å; W227-I259 PolarHBondContact N-O 2.94Å; L257-I259 HydrophobicContact CD1-CD1 3.71Å; L257-I259 HydrophobicContact CD1-CG1 3.56Å; I259-I261 HydrophobicContact CG2-CG1 4.08Å
260	I	96.9	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.5	174	-58.2	167.1	0	0	0	107.4	T202 F203 V204 L205 W227 F229 M243 L247 V262 V279 V283	T202-I260 HydrophobicContact CG2-CD1 4.02Å; F203-I260 PolarHBondContact O-N 3.38Å; V204-I260 CarbonylContact C-O 3.57Å; V204-I260 WeakPolarHBondContact CA-O 3.46Å; V204-I260 HydrophobicContact CG2-CB 4.4Å; V204-I260 HydrophobicContact CG2-CD1 4.26Å; L205-I260 PolarHBondContact N-O 2.99Å; W227-I260 HydrophobicContact CB-CG1 4.21Å; W227-I260 HydrophobicContact CB-CG2 4.15Å; W227-I260 WeakPolarHBondContact O-CA 3.42Å; F229-I260 HydrophobicContact CD2-CG2 4.08Å; F229-I260 HydrophobicContact CE2-CG2 3.74Å; M243-I260 HydrophobicContact SD-CD1 4.13Å; L247-I260 HydrophobicContact CD1-CD1 3.91Å; L247-I260 HydrophobicContact CD2-CD1 4.36Å; L247-I260 HydrophobicContact CD2-CG1 4.33Å; I260-V262 HydrophobicContact CG2-CG2 4.25Å; I260-V279 HydrophobicContact CD1-CG1 4.01Å; I260-V279 HydrophobicContact CG2-CG1 3.97Å; I260-V283 HydrophobicContact CD1-CG2 4.07Å
261	I	97.7	Very high	90.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.5	177	-61.2	-173.3	0	0	0	109.3	L205 V207 A216 A220 A225 W227 L228 F229 I259	L205-I261 WeakPolarHBondContact O-CA 3.08Å; V207-I261 HydrophobicContact CB-CG2 4.44Å; V207-I261 HydrophobicContact CG2-CG2 3.8Å; A216-I261 HydrophobicContact CB-CG2 3.83Å; A220-I261 HydrophobicContact CB-CD1 4.17Å; A225-I261 HydrophobicContact CB-CD1 4.04Å; A225-I261 HydrophobicContact CB-CG1 4.03Å; W227-I261 PolarHBondContact O-N 3.31Å; L228-I261 CarbonylContact C-O 3.58Å; L228-I261 WeakPolarHBondContact CA-O 3.48Å; L228-I261 HydrophobicContact CD1-CB 4.2Å; L228-I261 HydrophobicContact CD1-CG2 4.11Å; F229-I261 PolarHBondContact N-O 2.68Å; I259-I261 HydrophobicContact CG2-CG1 4.08Å
262	V	98.1	Very high	91.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.1	-179.8	-172.6	0	0	0	0	108.2	V204 L205 E206 V207 F229 I260 A266 V279	V204-V262 HydrophobicContact CG1-CG2 3.61Å; L205-V262 PolarHBondContact O-N 3.39Å; E206-V262 VanDerWaalsContact CA-O 3.32Å; E206-V262 WeakPolarHBondContact CA-O 3.37Å; V207-V262 PolarHBondContact N-O 3.38Å; F229-V262 HydrophobicContact CB-CG1 4.27Å; F229-V262 HydrophobicContact CD2-CG2 3.88Å; I260-V262 HydrophobicContact CG2-CG2 4.25Å; V262-A266 HydrophobicContact CG1-CB 3.88Å; V262-V279 HydrophobicContact CG2-CG2 4.46Å
263	A	98	Very high	91.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	143.5	168.5	0	0	0	0	0	110	V207 A216 F229 I230 G265 A266	V207-A263 CarbonylContact O-C 3.55Å; A216-A263 HydrophobicContact CB-CB 3.82Å; F229-A263 WeakPolarHBondContact O-CB 3.39Å; F229-A263 PolarHBondContact O-N 2.74Å; I230-A263 HydrophobicContact CG2-CB 4.5Å; A263-G265 PolarHBondContact O-N 2.64Å; A263-G265 VanDerWaalsContact O-N 3.12Å; A263-A266 WeakPolarHBondContact O-CB 3.41Å; A263-A266 PolarHBondContact O-N 3.36Å
264	E	95.6	Very high	92.4	Very high	82 Å²	82	39.1 Å²	39.1	38%	0.383	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.6	179	70.4	-176.8	164.5	0	0	113	V207 G209 R210	V207-E264 PolarHBondContact O-N 3.29Å; G209-E264 PolarHBondContact N-OE1 2.79Å; R210-E264 VanDerWaalsContact CA-OE1 3.29Å; R210-E264 WeakPolarHBondContact CA-OE1 3.37Å; R210-E264 PolarHBondContact N-OE1 2.89Å
265	G	95.3	Very high	93.2	Very high	14 Å²	14	39.2 Å²	39.2	14%	0.144	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	9	175.1	0	0	0	0	0	115.3	R210 P231 A263 I267	R210-G265 WeakPolarHBondContact O-CA 3.3Å; R210-G265 PolarHBondContact O-N 3.24Å; P231-G265 WeakPolarHBondContact CB-O 3.28Å; A263-G265 PolarHBondContact O-N 2.64Å; A263-G265 VanDerWaalsContact O-N 3.12Å; G265-I267 PolarHBondContact O-N 3.38Å
266	A	96.9	Very high	93.9	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	21%	0.211	C	C	.	.			trans	-58.6	133.7	-174.7	0	0	0	0	0	112.8	F229 V262 A263 P273 I274	F229-A266 HydrophobicContact CB-CB 3.8Å; V262-A266 HydrophobicContact CG1-CB 3.88Å; A263-A266 WeakPolarHBondContact O-CB 3.41Å; A263-A266 PolarHBondContact O-N 3.36Å; A266-P273 WeakPolarHBondContact O-CA 3.41Å; A266-I274 HydrophobicContact CB-CB 4.32Å; A266-I274 PolarHBondContact O-N 3.49Å
267	I	95.7	Very high	94.5	Very high	33 Å²	33	36.4 Å²	36.4	17%	0.169	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-134	158.9	-179.9	55.4	170.8	0	0	0	110.6	P231 P234 P235 G265 K272 I274 M362 F367	P231-I267 HydrophobicContact CB-CG1 4.35Å; P234-I267 WeakPolarHBondContact CB-O 3.43Å; P234-I267 HydrophobicContact CG-CD1 4.35Å; P234-I267 HydrophobicContact CG-CG1 4.11Å; P235-I267 WeakPolarHBondContact CD-O 3.3Å; G265-I267 PolarHBondContact O-N 3.38Å; I267-K272 CarbonylContact C-O 3.57Å; I267-K272 VanDerWaalsContact CA-O 3.26Å; I267-K272 WeakPolarHBondContact CA-O 3.12Å; I267-I274 WeakPolarHBondContact O-CD1 3.46Å; I267-M362 HydrophobicContact CD1-CE 4.43Å; I267-F367 HydrophobicContact CD1-CE1 4.05Å; I267-F367 HydrophobicContact CD1-CZ 4.38Å
268	D	93.9	Very high	94.9	Very high	30 Å²	30	39.4 Å²	39.4	16%	0.16	22%	0.223	C	C	.	.			trans	-84.4	177.1	166.8	74.5	7.9	0	0	0	112	N270 G271 K272 I274	D268-N270 PolarHBondContact O-N 2.96Å; D268-N270 VanDerWaalsContact O-N 3.16Å; D268-N270 VanDerWaalsContact OD1-CA 3.29Å; D268-N270 WeakPolarHBondContact OD1-CA 3.27Å; D268-N270 WeakPolarHBondContact OD1-CB 3.34Å; D268-N270 PolarHBondContact OD1-N 2.76Å; D268-G271 PolarHBondContact O-N 2.93Å; D268-G271 PolarHBondContact OD1-N 3.46Å; D268-K272 PolarHBondContact N-O 2.9Å; D268-K272 WeakPolarHBondContact OD1-CB 3.3Å; D268-K272 PolarHBondContact OD1-N 3.23Å; D268-K272 WeakPolarHBondContact OD2-CB 3.18Å; D268-I274 HydrophobicContact CB-CD1 4.07Å; D268-I274 HydrophobicContact CB-CG1 4.23Å
269	S	90.1	Very high	95.1	Very high	38 Å²	38	39.4 Å²	39.4	27%	0.266	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.6	177.7	55	0	0	0	0	114
270	N	89.8	Confident	95.3	Very high	88 Å²	88	42.2 Å²	42.2	47%	0.471	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.8	177.3	-65.5	-52.7	0	0	0	112.8	D268 R365	D268-N270 PolarHBondContact O-N 2.96Å; D268-N270 VanDerWaalsContact O-N 3.16Å; D268-N270 VanDerWaalsContact OD1-CA 3.29Å; D268-N270 WeakPolarHBondContact OD1-CA 3.27Å; D268-N270 WeakPolarHBondContact OD1-CB 3.34Å; D268-N270 PolarHBondContact OD1-N 2.76Å; N270-R365 PolarHBondContact O-NH2 3.45Å
271	G	88.4	Confident	95.3	Very high	38 Å²	38	46 Å²	46	39%	0.392	26%	0.255	S	S	.	.	S	Bend	trans	84.7	11.9	-176.5	0	0	0	0	0	113.9	D268	D268-G271 PolarHBondContact O-N 2.93Å; D268-G271 PolarHBondContact OD1-N 3.46Å
272	K	93.7	Very high	95.2	Very high	145 Å²	145	46.7 Å²	46.7	63%	0.63	26%	0.259	S	S	*	.			trans	-79.5	134.5	175.2	-172	-177.3	175.2	-176.2	0	109.6	I267 D268 I274	I267-K272 CarbonylContact C-O 3.57Å; I267-K272 VanDerWaalsContact CA-O 3.26Å; I267-K272 WeakPolarHBondContact CA-O 3.12Å; D268-K272 PolarHBondContact N-O 2.9Å; D268-K272 WeakPolarHBondContact OD1-CB 3.3Å; D268-K272 PolarHBondContact OD1-N 3.23Å; D268-K272 WeakPolarHBondContact OD2-CB 3.18Å; K272-I274 PolarHBondContact O-N 3.49Å
273	P	95.8	Very high	95.1	Very high	102 Å²	102	46.6 Å²	46.6	66%	0.662	26%	0.258	S	S	*	.	B	Isolated β-bridge	trans	-59.6	136.9	177.2	-24.4	33.8	0	0	0	113.1	A266	A266-P273 WeakPolarHBondContact O-CA 3.41Å
274	I	96.4	Very high	95	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.056	28%	0.276	C	S	.	.			trans	-101.7	106.7	171.7	-61.2	176.8	0	0	0	107.8	F229 P235 W239 A266 I267 D268 K272 Y278 V279	F229-I274 HydrophobicContact CD1-CD1 3.84Å; F229-I274 HydrophobicContact CD1-CG2 4.16Å; F229-I274 HydrophobicContact CE1-CD1 4.15Å; F229-I274 HydrophobicContact CE1-CG2 4.32Å; P235-I274 HydrophobicContact CG-CD1 3.58Å; W239-I274 HydrophobicContact CH2-CG2 4.41Å; W239-I274 HydrophobicContact CZ2-CD1 4.17Å; W239-I274 HydrophobicContact CZ2-CG2 4.36Å; A266-I274 HydrophobicContact CB-CB 4.32Å; A266-I274 PolarHBondContact O-N 3.49Å; I267-I274 WeakPolarHBondContact O-CD1 3.46Å; D268-I274 HydrophobicContact CB-CD1 4.07Å; D268-I274 HydrophobicContact CB-CG1 4.23Å; K272-I274 PolarHBondContact O-N 3.49Å; I274-Y278 HydrophobicContact CG2-CD1 4.4Å; I274-V279 HydrophobicContact CG2-CG2 3.82Å
275	S	96.3	Very high	95.1	Very high	59 Å²	59	54.6 Å²	54.6	41%	0.413	30%	0.297	S	S	.	.			trans	-84.5	149.9	179.5	69.8	0	0	0	0	112.5	T277 Y278 V279	S275-T277 PolarHBondContact O-N 3.28Å; S275-Y278 WeakPolarHBondContact O-CB 3.47Å; S275-Y278 PolarHBondContact O-N 3.31Å; S275-Y278 VanDerWaalsContact O-N 3.12Å; S275-Y278 WeakPolarHBondContact OG-CB 3.31Å; S275-Y278 PolarHBondContact OG-N 3.5Å; S275-Y278 VanDerWaalsContact OG-N 3.14Å; S275-V279 PolarHBondContact O-N 3.28Å
276	S	96.4	Very high	95	Very high	5 Å²	5	59.3 Å²	59.3	4%	0.035	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-35.7	173.2	54.4	0	0	0	0	112.6	E206 V279 K280	E206-S276 VanDerWaalsContact OE2-CB 3.3Å; E206-S276 WeakPolarHBondContact OE2-CB 3.11Å; E206-S276 PolarHBondContact OE2-OG 3.49Å; S276-V279 PolarHBondContact O-N 3Å; S276-K280 WeakPolarHBondContact O-CB 3.33Å; S276-K280 PolarHBondContact O-N 3.26Å
277	T	96.4	Very high	94.9	Very high	73 Å²	73	60.7 Å²	60.7	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-43.5	173.7	-52.6	0	0	0	0	112.4	S275 V279 K280 D281	S275-T277 PolarHBondContact O-N 3.28Å; T277-V279 VanDerWaalsContact C-N 3.35Å; T277-V279 PolarHBondContact O-N 3.49Å; T277-K280 PolarHBondContact O-N 2.93Å; T277-D281 PolarHBondContact O-N 2.83Å
278	Y	96.5	Very high	94.7	Very high	98 Å²	98	62.1 Å²	62.1	38%	0.384	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-46.5	177.1	172.7	-118.7	0	0	0	111.3	W239 E240 I274 S275 K280 D281 L282	W239-Y278 HydrophobicContact CH2-CD1 4.25Å; W239-Y278 AromaticContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CZ2-CD1 4.31Å; W239-Y278 AromaticContact CZ2-CE1 3.62Å; W239-Y278 HydrophobicContact CZ2-CE1 3.62Å; E240-Y278 PolarHBondContact OE1-OH 3.08Å; I274-Y278 HydrophobicContact CG2-CD1 4.4Å; S275-Y278 WeakPolarHBondContact O-CB 3.47Å; S275-Y278 PolarHBondContact O-N 3.31Å; S275-Y278 VanDerWaalsContact O-N 3.12Å; S275-Y278 WeakPolarHBondContact OG-CB 3.31Å; S275-Y278 PolarHBondContact OG-N 3.5Å; S275-Y278 VanDerWaalsContact OG-N 3.14Å; Y278-K280 VanDerWaalsContact C-N 3.34Å; Y278-K280 PolarHBondContact O-N 3.16Å; Y278-D281 PolarHBondContact O-N 2.88Å; Y278-L282 VanDerWaalsContact O-CB 3.26Å; Y278-L282 WeakPolarHBondContact O-CB 3.5Å; Y278-L282 PolarHBondContact O-N 3.12Å
279	V	96.7	Very high	94.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-43.7	177.3	176.6	0	0	0	0	111.2	V204 F229 W239 M243 I260 V262 I274 S275 S276 T277 L282 V283	V204-V279 HydrophobicContact CG1-CB 4.24Å; V204-V279 HydrophobicContact CG1-CG1 4.16Å; V204-V279 HydrophobicContact CG2-CB 4.48Å; V204-V279 HydrophobicContact CG2-CG1 3.92Å; F229-V279 HydrophobicContact CE2-CG1 4.27Å; F229-V279 HydrophobicContact CE2-CG2 3.96Å; F229-V279 HydrophobicContact CZ-CG2 4.19Å; W239-V279 HydrophobicContact CH2-CG2 4.28Å; M243-V279 HydrophobicContact CE-CG1 4.2Å; M243-V279 HydrophobicContact SD-CG1 4.26Å; I260-V279 HydrophobicContact CD1-CG1 4.01Å; I260-V279 HydrophobicContact CG2-CG1 3.97Å; V262-V279 HydrophobicContact CG2-CG2 4.46Å; I274-V279 HydrophobicContact CG2-CG2 3.82Å; S275-V279 PolarHBondContact O-N 3.28Å; S276-V279 PolarHBondContact O-N 3Å; T277-V279 VanDerWaalsContact C-N 3.35Å; T277-V279 PolarHBondContact O-N 3.49Å; V279-L282 WeakPolarHBondContact O-CB 3.06Å; V279-L282 PolarHBondContact O-N 3.25Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 3.46Å; V279-V283 VanDerWaalsContact O-N 3.09Å
280	K	97	Very high	94.8	Very high	65 Å²	65	63.8 Å²	63.8	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-51.8	177	174.4	-136.3	168	-160.6	0	111.6	V204 S276 T277 Y278 L282 V283 V284 T291 V293	V204-K280 HydrophobicContact CG2-CB 4.27Å; S276-K280 WeakPolarHBondContact O-CB 3.33Å; S276-K280 PolarHBondContact O-N 3.26Å; T277-K280 PolarHBondContact O-N 2.93Å; Y278-K280 VanDerWaalsContact C-N 3.34Å; Y278-K280 PolarHBondContact O-N 3.16Å; K280-L282 VanDerWaalsContact C-N 3.25Å; K280-L282 PolarHBondContact O-N 2.68Å; K280-V283 PolarHBondContact O-N 3.04Å; K280-V284 WeakPolarHBondContact O-CG2 3.47Å; K280-V284 PolarHBondContact O-N 2.81Å; K280-T291 HydrophobicContact CB-CG2 4.12Å; K280-T291 HydrophobicContact CG-CG2 3.79Å; K280-V293 HydrophobicContact CB-CG2 3.47Å; K280-V293 VanDerWaalsContact CB-CG2 3.47Å; K280-V293 HydrophobicContact CD-CG2 3.79Å; K280-V293 HydrophobicContact CG-CG2 3.81Å
281	D	97	Very high	95.1	Very high	79 Å²	79	59.8 Å²	59.8	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-34	-177.2	-66.7	-17.7	0	0	0	111.4	T277 Y278 K285	T277-D281 PolarHBondContact O-N 2.83Å; Y278-D281 PolarHBondContact O-N 2.88Å; D281-K285 WeakPolarHBondContact O-CB 3.48Å; D281-K285 PolarHBondContact O-N 2.93Å
282	L	96.3	Very high	95.4	Very high	14 Å²	14	63.8 Å²	63.8	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-50.8	172	177.1	68.5	0	0	0	112	W239 E240 M243 Y278 V279 K280 K285 R286	W239-L282 HydrophobicContact CH2-CD2 3.96Å; W239-L282 HydrophobicContact CZ3-CD2 3.77Å; E240-L282 HydrophobicContact CB-CD1 4.06Å; E240-L282 HydrophobicContact CB-CD2 3.74Å; E240-L282 HydrophobicContact CG-CD1 4.06Å; E240-L282 HydrophobicContact CG-CD2 3.49Å; E240-L282 VanDerWaalsContact CG-CD2 3.49Å; E240-L282 HydrophobicContact CG-CG 4.44Å; M243-L282 HydrophobicContact CE-CD2 3.66Å; M243-L282 HydrophobicContact CE-CG 4.43Å; Y278-L282 VanDerWaalsContact O-CB 3.26Å; Y278-L282 WeakPolarHBondContact O-CB 3.5Å; Y278-L282 PolarHBondContact O-N 3.12Å; V279-L282 WeakPolarHBondContact O-CB 3.06Å; V279-L282 PolarHBondContact O-N 3.25Å; K280-L282 VanDerWaalsContact C-N 3.25Å; K280-L282 PolarHBondContact O-N 2.68Å; L282-K285 PolarHBondContact O-N 3.45Å; L282-R286 HydrophobicContact CD1-CG 4.08Å; L282-R286 VanDerWaalsContact CD1-NE 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.43Å; L282-R286 PolarHBondContact O-N 3.07Å
283	V	95.6	Very high	95.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-42.7	179.6	173.2	0	0	0	0	110.9	T202 M243 L247 I260 V279 K280 L287 G288 Y289 T291	T202-V283 HydrophobicContact CG2-CG1 4.29Å; M243-V283 HydrophobicContact CE-CG2 3.76Å; L247-V283 HydrophobicContact CD1-CG2 3.88Å; I260-V283 HydrophobicContact CD1-CG2 4.07Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 3.46Å; V279-V283 VanDerWaalsContact O-N 3.09Å; K280-V283 PolarHBondContact O-N 3.04Å; V283-L287 HydrophobicContact CG1-CD1 4.33Å; V283-L287 WeakPolarHBondContact O-CA 3.47Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 PolarHBondContact O-N 2.92Å; V283-G288 PolarHBondContact O-N 3.28Å; V283-Y289 HydrophobicContact CG1-CD2 4.4Å; V283-T291 HydrophobicContact CB-CG2 4.36Å; V283-T291 HydrophobicContact CG1-CG2 4.34Å; V283-T291 WeakPolarHBondContact CG1-OG1 3.45Å
284	V	96.2	Very high	95.6	Very high	63 Å²	63	56.3 Å²	56.3	38%	0.382	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-46.8	176.9	173.3	0	0	0	0	110.8	K280 G288	K280-V284 WeakPolarHBondContact O-CG2 3.47Å; K280-V284 PolarHBondContact O-N 2.81Å; V284-G288 VanDerWaalsContact O-CA 3.25Å; V284-G288 WeakPolarHBondContact O-CA 3.36Å; V284-G288 PolarHBondContact O-N 2.86Å
285	K	96.1	Very high	95.6	Very high	189 Å²	189	59.8 Å²	59.8	82%	0.822	31%	0.311	S	S	*	.	H	α-helix	trans	-70.1	-40.6	-175.8	-174.5	178.2	179.3	-179	0	113	D281 L282	D281-K285 WeakPolarHBondContact O-CB 3.48Å; D281-K285 PolarHBondContact O-N 2.93Å; L282-K285 PolarHBondContact O-N 3.45Å
286	R	95	Very high	95.6	Very high	113 Å²	113	57.6 Å²	57.6	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-88.5	-38.1	-175.5	-67.7	-165.9	-175.1	-171.5	8.6	113.6	D241 L282	D241-R286 IonicContact OD1-CZ 3Å; D241-R286 IonicContact OD1-NH1 2.79Å; D241-R286 PolarHBondContact OD1-NH1 2.95Å; D241-R286 IonicContact OD2-NH1 3.86Å; D241-R286 PolarHBondContact OD2-NH1 3.39Å; L282-R286 HydrophobicContact CD1-CG 4.08Å; L282-R286 VanDerWaalsContact CD1-NE 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.43Å; L282-R286 PolarHBondContact O-N 3.07Å
287	L	93.1	Very high	95.5	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-108.7	-15.6	-173.9	-61	180	0	0	0	113.9	C244 L247 E248 V283 Y289	C244-L287 HydrophobicContact CB-CD1 4.14Å; C244-L287 HydrophobicContact CB-CD2 3.98Å; C244-L287 HydrophobicContact CB-CG 4.07Å; L247-L287 HydrophobicContact CB-CD1 3.82Å; L247-L287 HydrophobicContact CD1-CD1 4.07Å; E248-L287 HydrophobicContact CB-CD2 4.28Å; V283-L287 HydrophobicContact CG1-CD1 4.33Å; V283-L287 WeakPolarHBondContact O-CA 3.47Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 PolarHBondContact O-N 2.92Å; L287-Y289 HydrophobicContact CB-CD1 3.85Å; L287-Y289 HydrophobicContact CB-CD2 4.16Å; L287-Y289 HydrophobicContact CB-CE1 3.98Å; L287-Y289 HydrophobicContact CB-CE2 4.3Å; L287-Y289 HydrophobicContact CB-CG 3.94Å; L287-Y289 HydrophobicContact CD1-CD2 4.03Å; L287-Y289 HydrophobicContact CD1-CE2 3.84Å; L287-Y289 WeakPolarHBondContact O-CD1 3.27Å; L287-Y289 WeakPolarHBondContact O-CE1 3.2Å; L287-Y289 PolarHBondContact O-N 3.23Å
288	G	92.7	Very high	95.3	Very high	63 Å²	63	61.7 Å²	61.7	65%	0.649	31%	0.313	S	S	*	.			trans	68.5	14.6	-176.4	0	0	0	0	0	114.3	V283 V284	V283-G288 PolarHBondContact O-N 3.28Å; V284-G288 VanDerWaalsContact O-CA 3.25Å; V284-G288 WeakPolarHBondContact O-CA 3.36Å; V284-G288 PolarHBondContact O-N 2.86Å
289	Y	92.9	Very high	95.2	Very high	41 Å²	41	60.6 Å²	60.6	16%	0.161	32%	0.317	C	S	.	.			trans	-76.9	139.6	-177.4	-66.9	-0.7	0	0	0	111.5	L247 E248 R251 V283 L287 T291	L247-Y289 HydrophobicContact CB-CE2 4.45Å; E248-Y289 WeakPolarHBondContact CA-OH 3.34Å; R251-Y289 HydrophobicContact CB-CE2 4.42Å; R251-Y289 WeakPolarHBondContact CB-OH 3.3Å; R251-Y289 HydrophobicContact CG-CE2 4.46Å; V283-Y289 HydrophobicContact CG1-CD2 4.4Å; L287-Y289 HydrophobicContact CB-CD1 3.85Å; L287-Y289 HydrophobicContact CB-CD2 4.16Å; L287-Y289 HydrophobicContact CB-CE1 3.98Å; L287-Y289 HydrophobicContact CB-CE2 4.3Å; L287-Y289 HydrophobicContact CB-CG 3.94Å; L287-Y289 HydrophobicContact CD1-CD2 4.03Å; L287-Y289 HydrophobicContact CD1-CE2 3.84Å; L287-Y289 WeakPolarHBondContact O-CD1 3.27Å; L287-Y289 WeakPolarHBondContact O-CE1 3.2Å; L287-Y289 PolarHBondContact O-N 3.23Å; Y289-T291 PolarHBondContact O-N 3.38Å; Y289-T291 PolarHBondContact O-OG1 3.13Å
290	D	92.9	Very high	95.2	Very high	62 Å²	62	60.7 Å²	60.7	33%	0.332	32%	0.317	S	S	.	.			trans	-65	99.6	170.7	-177.5	12.6	0	0	0	109.4	R201 T202 R292	R201-D290 HydrophobicContact CG-CB 4.17Å; R201-D290 IonicContact CZ-OD2 2.89Å; R201-D290 IonicContact NE-OD2 2.98Å; R201-D290 PolarHBondContact NE-OD2 3.24Å; R201-D290 IonicContact NH2-OD2 3.93Å; R201-D290 PolarHBondContact NH2-OD2 3.29Å; T202-D290 PolarHBondContact N-O 3.4Å; D290-R292 IonicContact OD1-CZ 3.98Å; D290-R292 IonicContact OD1-NE 3.55Å; D290-R292 PolarHBondContact OD1-NE 2.92Å; D290-R292 IonicContact OD1-NH2 2.64Å; D290-R292 PolarHBondContact OD1-NH2 3.22Å; D290-R292 IonicContact OD2-NH2 2.74Å
291	T	95.2	Very high	95	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130	-170.4	-52.1	0	0	0	0	111.2	T202 V204 K280 V283 Y289	T202-T291 HydrophobicContact CG2-CG2 3.94Å; T202-T291 VanDerWaalsContact O-CA 3.29Å; T202-T291 WeakPolarHBondContact O-CA 3.27Å; V204-T291 HydrophobicContact CG2-CG2 3.91Å; K280-T291 HydrophobicContact CB-CG2 4.12Å; K280-T291 HydrophobicContact CG-CG2 3.79Å; V283-T291 HydrophobicContact CB-CG2 4.36Å; V283-T291 HydrophobicContact CG1-CG2 4.34Å; V283-T291 WeakPolarHBondContact CG1-OG1 3.45Å; Y289-T291 PolarHBondContact O-N 3.38Å; Y289-T291 PolarHBondContact O-OG1 3.13Å
292	R	95.9	Very high	94.6	Very high	123 Å²	123	57 Å²	57	46%	0.464	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.1	179.6	-56.7	-62.7	164.9	-179.7	-3.1	110.6	T202 F203 V204 D290	T202-R292 PolarHBondContact O-N 2.93Å; F203-R292 WeakPolarHBondContact CA-O 3.49Å; F203-R292 HydrophobicContact CD1-CB 3.92Å; F203-R292 HydrophobicContact CE1-CB 3.72Å; F203-R292 HydrophobicContact CE1-CG 4.3Å; F203-R292 HydrophobicContact CZ-CB 4.26Å; F203-R292 HydrophobicContact CZ-CG 4.38Å; V204-R292 PolarHBondContact N-O 3.34Å; D290-R292 IonicContact OD1-CZ 3.98Å; D290-R292 IonicContact OD1-NE 3.55Å; D290-R292 PolarHBondContact OD1-NE 2.92Å; D290-R292 IonicContact OD1-NH2 2.64Å; D290-R292 PolarHBondContact OD1-NH2 3.22Å; D290-R292 IonicContact OD2-NH2 2.74Å
293	V	97.1	Very high	94.4	Very high	47 Å²	47	58.1 Å²	58.1	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137	172.8	175	0	0	0	0	108	V204 K280 V295	V204-V293 HydrophobicContact CB-CG2 4.18Å; V204-V293 CarbonylContact O-C 3.5Å; V204-V293 WeakPolarHBondContact O-CA 3.47Å; K280-V293 HydrophobicContact CB-CG2 3.47Å; K280-V293 VanDerWaalsContact CB-CG2 3.47Å; K280-V293 HydrophobicContact CD-CG2 3.79Å; K280-V293 HydrophobicContact CG-CG2 3.81Å; V293-V295 HydrophobicContact CG1-CG2 4.11Å
294	T	96.6	Very high	94.3	Very high	43 Å²	43	61.9 Å²	61.9	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	112.5	169.4	-53.8	0	0	0	0	108.7	I192 V204 L205 E206 L296	I192-T294 HydrophobicContact CD1-CG2 3.97Å; V204-T294 PolarHBondContact O-N 3.5Å; L205-T294 WeakPolarHBondContact CA-O 3.31Å; E206-T294 PolarHBondContact N-O 3.24Å; T294-L296 HydrophobicContact CG2-CD1 4.2Å
295	V	96.9	Very high	94.4	Very high	83 Å²	83	59 Å²	59	50%	0.503	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.9	172	-177.3	0	0	0	0	107.4	E206 V293 G297	E206-V295 HydrophobicContact CB-CB 4.4Å; E206-V295 HydrophobicContact CB-CG1 4.35Å; E206-V295 HydrophobicContact CB-CG2 4.09Å; V293-V295 HydrophobicContact CG1-CG2 4.11Å; V295-G297 VanDerWaalsContact C-N 3.35Å
296	L	95	Very high	94.4	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.068	29%	0.288	C	S	.	.			trans	-66.5	-41.8	-175.8	-81.2	57.8	0	0	0	110.2	I185 I188 L205 E206 V207 T294 V299 Q300	I185-L296 HydrophobicContact CB-CD2 4.14Å; I185-L296 HydrophobicContact CG1-CD2 3.88Å; I185-L296 HydrophobicContact CG2-CD2 3.96Å; I188-L296 HydrophobicContact CD1-CB 4.43Å; I188-L296 HydrophobicContact CD1-CD2 4.15Å; I188-L296 HydrophobicContact CD1-CG 3.88Å; I188-L296 HydrophobicContact CG2-CD1 4.25Å; I188-L296 HydrophobicContact CG2-CG 4.1Å; L205-L296 HydrophobicContact CB-CD1 4.45Å; E206-L296 PolarHBondContact O-N 3.31Å; V207-L296 HydrophobicContact CG2-CD2 4.37Å; T294-L296 HydrophobicContact CG2-CD1 4.2Å; L296-V299 HydrophobicContact CB-CG2 4.15Å; L296-V299 WeakPolarHBondContact O-CG2 3.47Å; L296-Q300 HydrophobicContact CB-CG 4.05Å; L296-Q300 VanDerWaalsContact CB-NE2 3.28Å; L296-Q300 HydrophobicContact CD2-CG 4.28Å
297	G	93.6	Very high	94.6	Very high	20 Å²	20	44.9 Å²	44.9	21%	0.206	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	60.1	-144.9	179.8	0	0	0	0	0	112.7	V295 V299 Q300	V295-G297 VanDerWaalsContact C-N 3.35Å; G297-V299 PolarHBondContact O-N 3.16Å; G297-V299 VanDerWaalsContact O-N 3.13Å; G297-Q300 WeakPolarHBondContact O-CG 3.28Å; G297-Q300 PolarHBondContact O-N 3.31Å; G297-Q300 PolarHBondContact O-NE2 3.42Å
298	H	93.3	Very high	94.8	Very high	145 Å²	145	45.4 Å²	45.4	67%	0.671	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-72	-6.4	-167.4	-66.8	81.7	0	0	0	115.4	Q300 R301 G302	H298-Q300 PolarHBondContact O-N 3.25Å; H298-Q300 VanDerWaalsContact O-N 3.08Å; H298-R301 PolarHBondContact O-N 2.9Å; H298-G302 PolarHBondContact O-N 3.48Å
299	V	94.9	Very high	95	Very high	75 Å²	75	42.4 Å²	42.4	46%	0.455	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-56.5	-23.8	169.3	-56.6	0	0	0	0	111.9	R184 I188 L296 G297 R301 G302	R184-V299 WeakPolarHBondContact CG-O 3.18Å; I188-V299 HydrophobicContact CD1-CB 4.34Å; I188-V299 HydrophobicContact CD1-CG2 3.34Å; L296-V299 HydrophobicContact CB-CG2 4.15Å; L296-V299 WeakPolarHBondContact O-CG2 3.47Å; G297-V299 PolarHBondContact O-N 3.16Å; G297-V299 VanDerWaalsContact O-N 3.13Å; V299-R301 VanDerWaalsContact C-N 3.33Å; V299-G302 PolarHBondContact O-N 3.08Å
300	Q	95.7	Very high	95.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-71.1	-23	175.7	-64.2	170.4	85.4	0	0	113.4	Q28 I165 A181 I185 M208 L296 G297 H298	Q28-Q300 PolarHBondContact NE2-O 3.25Å; I165-Q300 HydrophobicContact CD1-CB 4.36Å; A181-Q300 WeakPolarHBondContact CA-O 3.11Å; A181-Q300 WeakPolarHBondContact CB-O 3.3Å; I185-Q300 HydrophobicContact CG1-CG 3.91Å; M208-Q300 VanDerWaalsContact CG-NE2 3.32Å; M208-Q300 HydrophobicContact SD-CB 4.31Å; L296-Q300 HydrophobicContact CB-CG 4.05Å; L296-Q300 VanDerWaalsContact CB-NE2 3.28Å; L296-Q300 HydrophobicContact CD2-CG 4.28Å; G297-Q300 WeakPolarHBondContact O-CG 3.28Å; G297-Q300 PolarHBondContact O-N 3.31Å; G297-Q300 PolarHBondContact O-NE2 3.42Å; H298-Q300 PolarHBondContact O-N 3.25Å; H298-Q300 VanDerWaalsContact O-N 3.08Å
301	R	92.5	Very high	95.4	Very high	36 Å²	36	38.4 Å²	38.4	14%	0.136	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-22	175.5	-67.5	-177.7	178.1	-94.1	-6.8	113.1	D26 Q28 I165 H298 V299	D26-R301 PolarHBondContact O-NH1 2.85Å; D26-R301 VanDerWaalsContact O-NH1 3.16Å; Q28-R301 VanDerWaalsContact CD-C 3.5Å; Q28-R301 WeakPolarHBondContact CG-O 3.34Å; Q28-R301 PolarHBondContact NE2-O 3.48Å; Q28-R301 PolarHBondContact OE1-O 3.18Å; I165-R301 HydrophobicContact CD1-CG 3.67Å; I165-R301 HydrophobicContact CG1-CG 4.44Å; I165-R301 HydrophobicContact CG2-CG 4.49Å; H298-R301 PolarHBondContact O-N 2.9Å; V299-R301 VanDerWaalsContact C-N 3.33Å
302	G	88.6	Confident	95.5	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	22%	0.22	S	C	.	.			trans	-86.1	176.3	-177.9	0	0	0	0	0	114.3	Q28 H298 V299	Q28-G302 PolarHBondContact NE2-O 3.15Å; H298-G302 PolarHBondContact O-N 3.48Å; V299-G302 PolarHBondContact O-N 3.08Å
303	G	92.1	Very high	95.6	Very high	39 Å²	39	32.7 Å²	32.7	40%	0.402	20%	0.198	S	C	.	.	S	Bend	trans	90.6	175.9	176.5	0	0	0	0	0	114.2	G80	G80-G303 WeakPolarHBondContact CA-O 3.44Å
304	T	94.4	Very high	95.5	Very high	79 Å²	79	30.5 Å²	30.5	49%	0.485	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-74.5	142.1	178.4	54.5	0	0	0	0	110.5	Q78	Q78-T304 WeakPolarHBondContact O-CG2 3.31Å
305	P	97.2	Very high	95.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-65.9	145	176.1	23.3	-28.3	0	0	0	111.8	Q28 Q78 S180 D309 R310	Q28-P305 HydrophobicContact CB-CB 3.89Å; Q78-P305 WeakPolarHBondContact O-CD 3.31Å; S180-P305 WeakPolarHBondContact OG-CA 3.41Å; P305-D309 HydrophobicContact CB-CB 4.36Å; P305-R310 HydrophobicContact CB-CG 3.91Å; P305-R310 HydrophobicContact CG-CG 3.74Å; P305-R310 PolarHBondContact O-NE 3.17Å; P305-R310 PolarHBondContact O-NH2 3.29Å
306	S	97.9	Very high	95.4	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.042	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-63.2	163.9	172	71.8	0	0	0	0	111.6	D179 S180 F308 D309 R310	D179-S306 WeakPolarHBondContact OD2-CB 3.26Å; D179-S306 PolarHBondContact OD2-OG 2.95Å; S180-S306 PolarHBondContact OG-N 3.41Å; S180-S306 PolarHBondContact OG-OG 3.42Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.14Å; S306-D309 PolarHBondContact O-N 3.45Å; S306-D309 PolarHBondContact OG-N 3.47Å; S306-R310 WeakPolarHBondContact O-CG 3.42Å; S306-R310 PolarHBondContact O-N 2.64Å; S306-R310 VanDerWaalsContact O-N 3.09Å
307	A	97.8	Very high	95.5	Very high	1 Å²	1	25 Å²	25	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-58.8	-42.5	175.5	0	0	0	0	0	111.9	R310 I311 V545 N546 M549 A586	A307-R310 PolarHBondContact O-N 3.22Å; A307-I311 VanDerWaalsContact O-CG1 3.26Å; A307-I311 WeakPolarHBondContact O-CG1 3.26Å; A307-I311 PolarHBondContact O-N 3.44Å; A307-V545 HydrophobicContact CB-CB 4.25Å; A307-V545 HydrophobicContact CB-CG1 3.62Å; A307-N546 HydrophobicContact CB-CB 4.47Å; A307-N546 WeakPolarHBondContact CB-OD1 3.47Å; A307-N546 PolarHBondContact N-OD1 2.91Å; A307-M549 WeakPolarHBondContact CA-SD 3.25Å; A307-M549 HydrophobicContact CB-CE 4.28Å; A307-M549 HydrophobicContact CB-SD 3.81Å; A307-A586 HydrophobicContact CB-CB 4.42Å
308	F	97	Very high	95.6	Very high	42 Å²	42	24.1 Å²	24.1	18%	0.184	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-51.3	178	-173.1	-87.4	0	0	0	111.3	M174 D179 S306 R310 I311 L312 L338	M174-F308 HydrophobicContact CB-CE1 4.09Å; M174-F308 HydrophobicContact CG-CE1 3.82Å; D179-F308 HydrophobicContact CB-CB 4.37Å; D179-F308 HydrophobicContact CB-CD1 3.97Å; D179-F308 HydrophobicContact CB-CG 4.46Å; D179-F308 WeakPolarHBondContact OD2-CB 3.2Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.14Å; F308-R310 VanDerWaalsContact C-N 3.33Å; F308-R310 PolarHBondContact O-N 2.72Å; F308-I311 PolarHBondContact O-N 2.9Å; F308-L312 HydrophobicContact CD1-CB 4.43Å; F308-L312 HydrophobicContact CE1-CB 4.28Å; F308-L312 HydrophobicContact CE1-CD2 3.96Å; F308-L312 WeakPolarHBondContact O-CB 3.18Å; F308-L312 PolarHBondContact O-N 3.44Å; F308-L338 HydrophobicContact CE1-CD2 4.42Å; F308-L338 HydrophobicContact CZ-CD2 3.82Å
309	D	97.8	Very high	95.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-34.2	-179	-87.2	-42.9	0	0	0	113	G177 S180 P305 S306 S313	G177-D309 WeakPolarHBondContact CA-OD2 3.28Å; G177-D309 VanDerWaalsContact N-CG 3.27Å; G177-D309 PolarHBondContact N-OD1 2.93Å; G177-D309 PolarHBondContact N-OD2 3.41Å; S180-D309 VanDerWaalsContact CB-OD2 3.22Å; S180-D309 WeakPolarHBondContact CB-OD2 3.33Å; S180-D309 PolarHBondContact N-OD2 2.91Å; S180-D309 PolarHBondContact OG-OD2 3.35Å; P305-D309 HydrophobicContact CB-CB 4.36Å; S306-D309 PolarHBondContact O-N 3.45Å; S306-D309 PolarHBondContact OG-N 3.47Å; D309-S313 WeakPolarHBondContact O-CB 3.39Å; D309-S313 PolarHBondContact O-N 3.31Å; D309-S313 PolarHBondContact O-OG 3.21Å
310	R	97.9	Very high	95.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-44	174.4	-67.7	-176.9	-157.9	-167.8	2.8	112	I77 Q78 P305 S306 A307 F308 T314 M549 D553 A586	I77-R310 HydrophobicContact CG1-CB 4.49Å; I77-R310 HydrophobicContact CG1-CG 4.4Å; Q78-R310 VanDerWaalsContact CB-NH1 3.31Å; P305-R310 HydrophobicContact CB-CG 3.91Å; P305-R310 HydrophobicContact CG-CG 3.74Å; P305-R310 PolarHBondContact O-NE 3.17Å; P305-R310 PolarHBondContact O-NH2 3.29Å; S306-R310 WeakPolarHBondContact O-CG 3.42Å; S306-R310 PolarHBondContact O-N 2.64Å; S306-R310 VanDerWaalsContact O-N 3.09Å; A307-R310 PolarHBondContact O-N 3.22Å; F308-R310 VanDerWaalsContact C-N 3.33Å; F308-R310 PolarHBondContact O-N 2.72Å; R310-T314 VanDerWaalsContact O-CB 3.25Å; R310-T314 WeakPolarHBondContact O-CB 3.29Å; R310-T314 PolarHBondContact O-N 2.95Å; R310-T314 PolarHBondContact O-OG1 2.95Å; R310-M549 VanDerWaalsContact CD-SD 3.53Å; R310-M549 PolarHBondContact NE-SD 3.43Å; R310-D553 IonicContact CZ-OD2 3.86Å; R310-D553 IonicContact NH1-OD1 3.83Å; R310-D553 PolarHBondContact NH1-OD1 3.31Å; R310-D553 IonicContact NH1-OD2 3.42Å; R310-D553 PolarHBondContact NH1-OD2 3.43Å; R310-D553 IonicContact NH2-OD2 3.62Å; R310-D553 PolarHBondContact NH2-OD2 2.98Å; R310-A586 HydrophobicContact CB-CB 4.39Å; R310-A586 WeakPolarHBondContact CD-O 3.26Å; R310-A586 PolarHBondContact NH1-O 3.07Å
311	I	96.9	Very high	95.6	Very high	20 Å²	20	13.6 Å²	13.6	10%	0.103	9%	0.087	C	C	.	.	H	α-helix	trans	-67.7	-47.8	178.6	-65.6	165.5	0	0	0	109.7	A307 F308 T314 K315 V545 S582 I585 A586	A307-I311 VanDerWaalsContact O-CG1 3.26Å; A307-I311 WeakPolarHBondContact O-CG1 3.26Å; A307-I311 PolarHBondContact O-N 3.44Å; F308-I311 PolarHBondContact O-N 2.9Å; I311-T314 PolarHBondContact O-N 3.36Å; I311-K315 HydrophobicContact CG2-CD 4.35Å; I311-K315 WeakPolarHBondContact O-CG 3.06Å; I311-K315 PolarHBondContact O-N 3.01Å; I311-V545 HydrophobicContact CD1-CG1 4.27Å; I311-S582 WeakPolarHBondContact CD1-O 3.48Å; I311-I585 HydrophobicContact CB-CG2 4.4Å; I311-I585 HydrophobicContact CG1-CB 4.37Å; I311-I585 HydrophobicContact CG1-CG2 4.04Å; I311-I585 HydrophobicContact CG2-CG2 4.32Å; I311-A586 HydrophobicContact CD1-CB 4.23Å; I311-A586 HydrophobicContact CG1-CB 3.95Å
312	L	96.6	Very high	95.6	Very high	6 Å²	6	12 Å²	12	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-54.8	-58.3	176.8	174.8	62.8	0	0	0	110.6	M174 I176 F308 T314 K315 L316 L338	M174-L312 HydrophobicContact CB-CD2 4.36Å; M174-L312 HydrophobicContact CG-CD2 4.41Å; I176-L312 HydrophobicContact CG1-CD2 4.35Å; I176-L312 HydrophobicContact CG1-CG 4.5Å; F308-L312 HydrophobicContact CD1-CB 4.43Å; F308-L312 HydrophobicContact CE1-CB 4.28Å; F308-L312 HydrophobicContact CE1-CD2 3.96Å; F308-L312 WeakPolarHBondContact O-CB 3.18Å; F308-L312 PolarHBondContact O-N 3.44Å; L312-T314 PolarHBondContact O-N 3.12Å; L312-K315 WeakPolarHBondContact O-CB 3.24Å; L312-K315 PolarHBondContact O-N 3.01Å; L312-L316 HydrophobicContact CD1-CD1 3.72Å; L312-L316 HydrophobicContact CD1-CD2 4.17Å; L312-L316 HydrophobicContact CD1-CG 3.82Å; L312-L316 HydrophobicContact CD2-CD1 4.5Å; L312-L316 HydrophobicContact CG-CD1 3.85Å; L312-L316 HydrophobicContact CG-CG 4.26Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 2.92Å; L312-L338 HydrophobicContact CD1-CB 3.95Å; L312-L338 HydrophobicContact CD1-CD1 3.87Å; L312-L338 HydrophobicContact CD1-CD2 3.97Å; L312-L338 HydrophobicContact CD1-CG 4.15Å
313	S	97.1	Very high	95.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.1	-35.8	-178.9	-59.9	0	0	0	0	112.4	G29 I176 D309 G317	G29-S313 WeakPolarHBondContact O-CB 3.45Å; G29-S313 PolarHBondContact O-OG 3.03Å; G29-S313 VanDerWaalsContact O-OG 3.12Å; I176-S313 WeakPolarHBondContact CG2-OG 3.4Å; D309-S313 WeakPolarHBondContact O-CB 3.39Å; D309-S313 PolarHBondContact O-N 3.31Å; D309-S313 PolarHBondContact O-OG 3.21Å; S313-G317 PolarHBondContact O-N 2.9Å
314	T	96.8	Very high	95.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.6	-46.7	176.5	-62.9	0	0	0	0	111.6	A36 R310 I311 L312 G317 V318 I585 L751	A36-T314 HydrophobicContact CB-CG2 4.25Å; A36-T314 WeakPolarHBondContact CB-O 3.28Å; R310-T314 VanDerWaalsContact O-CB 3.25Å; R310-T314 WeakPolarHBondContact O-CB 3.29Å; R310-T314 PolarHBondContact O-N 2.95Å; R310-T314 PolarHBondContact O-OG1 2.95Å; I311-T314 PolarHBondContact O-N 3.36Å; L312-T314 PolarHBondContact O-N 3.12Å; T314-G317 PolarHBondContact O-N 3.34Å; T314-V318 WeakPolarHBondContact O-CG2 3.33Å; T314-V318 PolarHBondContact O-N 2.91Å; T314-V318 VanDerWaalsContact O-N 3.08Å; T314-I585 HydrophobicContact CG2-CG2 4.05Å; T314-L751 HydrophobicContact CG2-CD1 3.22Å
315	K	94.6	Very high	95.5	Very high	21 Å²	21	6.3 Å²	6.3	9%	0.091	3%	0.032	C	C	.	.	H	α-helix	trans	-59.2	-52.6	175.6	-71.1	177.5	174.4	-175.4	0	111.3	I311 L312 G317 V318 E319 N341 L744 M747	I311-K315 HydrophobicContact CG2-CD 4.35Å; I311-K315 WeakPolarHBondContact O-CG 3.06Å; I311-K315 PolarHBondContact O-N 3.01Å; L312-K315 WeakPolarHBondContact O-CB 3.24Å; L312-K315 PolarHBondContact O-N 3.01Å; K315-G317 VanDerWaalsContact C-N 3.29Å; K315-G317 PolarHBondContact O-N 3.3Å; K315-V318 PolarHBondContact O-N 2.94Å; K315-E319 PolarHBondContact O-N 3.45Å; K315-N341 PolarHBondContact NZ-O 3.28Å; K315-L744 HydrophobicContact CD-CD2 4.3Å; K315-L744 HydrophobicContact CG-CD2 4.18Å; K315-M747 HydrophobicContact CG-CE 4.11Å; K315-M747 HydrophobicContact CG-SD 4.08Å
316	L	96	Very high	95.1	Very high	4 Å²	4	11 Å²	11	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-63	-38.2	-177.1	-58.4	-180	0	0	0	111.5	L161 I176 L312 E319 A320 I336 G337 A343	L161-L316 HydrophobicContact CD2-CB 3.78Å; I176-L316 HydrophobicContact CD1-CD1 4.02Å; I176-L316 HydrophobicContact CG1-CD1 3.99Å; L312-L316 HydrophobicContact CD1-CD1 3.72Å; L312-L316 HydrophobicContact CD1-CD2 4.17Å; L312-L316 HydrophobicContact CD1-CG 3.82Å; L312-L316 HydrophobicContact CD2-CD1 4.5Å; L312-L316 HydrophobicContact CG-CD1 3.85Å; L312-L316 HydrophobicContact CG-CG 4.26Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 2.92Å; L316-E319 PolarHBondContact O-N 3.24Å; L316-A320 VanDerWaalsContact O-CB 3.31Å; L316-A320 WeakPolarHBondContact O-CB 3.5Å; L316-A320 PolarHBondContact O-N 3.3Å; L316-I336 HydrophobicContact CB-CB 4.49Å; L316-I336 HydrophobicContact CB-CG2 4.26Å; L316-I336 HydrophobicContact CD2-CB 4.29Å; L316-I336 HydrophobicContact CD2-CG2 3.6Å; L316-G337 WeakPolarHBondContact CD2-O 2.91Å; L316-A343 HydrophobicContact CD2-CB 4.2Å
317	G	96.6	Very high	94.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-68.5	-35.6	177.4	0	0	0	0	0	114	V37 S313 T314 K315 V321	V37-G317 WeakPolarHBondContact CG2-O 3.22Å; S313-G317 PolarHBondContact O-N 2.9Å; T314-G317 PolarHBondContact O-N 3.34Å; K315-G317 VanDerWaalsContact C-N 3.29Å; K315-G317 PolarHBondContact O-N 3.3Å; G317-V321 PolarHBondContact O-N 3.07Å
318	V	95.1	Very high	94	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-51.1	171.8	168.7	0	0	0	0	109.8	A36 M40 T314 K315 A320 V321 I322 M747 L751 Y761	A36-V318 HydrophobicContact CB-CG2 4.44Å; M40-V318 HydrophobicContact CB-CG2 4.33Å; M40-V318 HydrophobicContact CG-CB 4.47Å; M40-V318 HydrophobicContact CG-CG1 4.13Å; M40-V318 HydrophobicContact CG-CG2 4.44Å; M40-V318 HydrophobicContact SD-CG1 4.21Å; T314-V318 WeakPolarHBondContact O-CG2 3.33Å; T314-V318 PolarHBondContact O-N 2.91Å; T314-V318 VanDerWaalsContact O-N 3.08Å; K315-V318 PolarHBondContact O-N 2.94Å; V318-A320 VanDerWaalsContact C-N 3.26Å; V318-A320 PolarHBondContact O-N 2.55Å; V318-V321 PolarHBondContact O-N 3.01Å; V318-V321 VanDerWaalsContact O-N 3.13Å; V318-I322 HydrophobicContact CG1-CD1 3.9Å; V318-I322 WeakPolarHBondContact O-CG1 3.45Å; V318-I322 PolarHBondContact O-N 3.4Å; V318-M747 HydrophobicContact CG1-CG 4.42Å; V318-L751 HydrophobicContact CG2-CD1 4.04Å; V318-L751 HydrophobicContact CG2-CD2 4.04Å; V318-L751 HydrophobicContact CG2-CG 4.27Å; V318-Y761 HydrophobicContact CG1-CE2 4.05Å
319	E	94.6	Very high	93.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.6	-34.7	-179.7	-173.1	59.1	-152.4	0	0	112.3	K315 L316 V321 I322 A323 I336 A343 R345 Y761 G764	K315-E319 PolarHBondContact O-N 3.45Å; L316-E319 PolarHBondContact O-N 3.24Å; E319-V321 VanDerWaalsContact C-N 3.33Å; E319-V321 PolarHBondContact O-N 3.36Å; E319-I322 PolarHBondContact O-N 2.86Å; E319-A323 WeakPolarHBondContact O-CB 3.31Å; E319-A323 PolarHBondContact O-N 3.2Å; E319-I336 HydrophobicContact CB-CG2 3.88Å; E319-I336 HydrophobicContact CG-CD1 4.25Å; E319-I336 HydrophobicContact CG-CG2 3.76Å; E319-A343 HydrophobicContact CB-CB 4.26Å; E319-A343 HydrophobicContact CG-CB 4.21Å; E319-R345 IonicContact OE1-CZ 3.68Å; E319-R345 IonicContact OE1-NE 3.27Å; E319-R345 PolarHBondContact OE1-NE 2.69Å; E319-R345 IonicContact OE1-NH2 3.22Å; E319-R345 PolarHBondContact OE1-NH2 2.54Å; E319-Y761 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y761 WeakPolarHBondContact OE2-CE1 3.16Å; E319-Y761 VanDerWaalsContact OE2-CZ 3.32Å; E319-Y761 PolarHBondContact OE2-OH 2.77Å; E319-G764 PolarHBondContact OE1-N 2.87Å
320	A	96.1	Very high	92.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-39.2	176.3	0	0	0	0	0	113	V37 V159 L161 L316 V318 I322 L324 I336	V37-A320 HydrophobicContact CG2-CB 4.5Å; V159-A320 HydrophobicContact CB-CB 4.46Å; V159-A320 HydrophobicContact CG1-CB 3.61Å; L161-A320 HydrophobicContact CD1-CB 4.5Å; L161-A320 HydrophobicContact CD2-CB 4.04Å; L161-A320 HydrophobicContact CG-CB 4.43Å; L316-A320 VanDerWaalsContact O-CB 3.31Å; L316-A320 WeakPolarHBondContact O-CB 3.5Å; L316-A320 PolarHBondContact O-N 3.3Å; V318-A320 VanDerWaalsContact C-N 3.26Å; V318-A320 PolarHBondContact O-N 2.55Å; A320-I322 VanDerWaalsContact C-N 3.34Å; A320-L324 VanDerWaalsContact O-CG 3.28Å; A320-L324 WeakPolarHBondContact O-CG 3.47Å; A320-L324 PolarHBondContact O-N 3.09Å; A320-I336 HydrophobicContact CB-CG1 3.99Å
321	V	95.1	Very high	91.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.6	-40.9	176	171.2	0	0	0	0	110.7	I18 V37 M40 V44 G317 V318 E319 L324 I325	I18-V321 HydrophobicContact CD1-CG1 4.03Å; V37-V321 HydrophobicContact CB-CG2 4.21Å; V37-V321 HydrophobicContact CG1-CG2 3.87Å; V37-V321 WeakPolarHBondContact O-CG2 3.28Å; M40-V321 HydrophobicContact CB-CB 4.18Å; M40-V321 HydrophobicContact CB-CG1 4.33Å; M40-V321 HydrophobicContact CB-CG2 4.07Å; M40-V321 HydrophobicContact CG-CB 3.82Å; M40-V321 HydrophobicContact CG-CG1 3.83Å; M40-V321 HydrophobicContact CG-CG2 4.28Å; V44-V321 HydrophobicContact CG2-CG1 4.08Å; G317-V321 PolarHBondContact O-N 3.07Å; V318-V321 PolarHBondContact O-N 3.01Å; V318-V321 VanDerWaalsContact O-N 3.13Å; E319-V321 VanDerWaalsContact C-N 3.33Å; E319-V321 PolarHBondContact O-N 3.36Å; V321-L324 PolarHBondContact O-N 3.26Å; V321-I325 HydrophobicContact CG1-CD1 3.69Å; V321-I325 HydrophobicContact CG1-CG1 4.48Å; V321-I325 VanDerWaalsContact O-CG1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.15Å; V321-I325 PolarHBondContact O-N 3.34Å
322	I	91.3	Very high	91.5	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-47.4	179.5	-59.2	170.9	0	0	0	109.7	M40 V318 E319 A320 L324 I325 E326 F758 Y761 P763	M40-I322 HydrophobicContact CE-CD1 4.39Å; M40-I322 HydrophobicContact CE-CG1 4.14Å; V318-I322 HydrophobicContact CG1-CD1 3.9Å; V318-I322 WeakPolarHBondContact O-CG1 3.45Å; V318-I322 PolarHBondContact O-N 3.4Å; E319-I322 PolarHBondContact O-N 2.86Å; A320-I322 VanDerWaalsContact C-N 3.34Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.13Å; I322-I325 PolarHBondContact O-N 2.93Å; I322-I325 VanDerWaalsContact O-N 3.09Å; I322-E326 WeakPolarHBondContact CG2-OE1 3.22Å; I322-E326 WeakPolarHBondContact O-CG 3.2Å; I322-E326 PolarHBondContact O-N 3.3Å; I322-F758 HydrophobicContact CD1-CE2 4.19Å; I322-F758 HydrophobicContact CD1-CZ 3.57Å; I322-F758 HydrophobicContact CG1-CZ 3.79Å; I322-F758 HydrophobicContact CG2-CZ 4.47Å; I322-Y761 HydrophobicContact CD1-CD1 3.52Å; I322-Y761 HydrophobicContact CD1-CE1 3.04Å; I322-Y761 HydrophobicContact CD1-CE2 4.37Å; I322-Y761 HydrophobicContact CD1-CG 4.36Å; I322-Y761 HydrophobicContact CG1-CE1 4.49Å; I322-P763 HydrophobicContact CG2-CB 4.32Å; I322-P763 HydrophobicContact CG2-CG 4.44Å
323	A	91.6	Very high	91.2	Very high	6 Å²	6	26.3 Å²	26.3	5%	0.05	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-40.6	175	0	0	0	0	0	112.6	V159 E319 A327 I336	V159-A323 HydrophobicContact CG2-CB 3.9Å; E319-A323 WeakPolarHBondContact O-CB 3.31Å; E319-A323 PolarHBondContact O-N 3.2Å; A323-A327 WeakPolarHBondContact O-CB 3.41Å; A323-A327 PolarHBondContact O-N 2.95Å; A323-I336 HydrophobicContact CB-CD1 4.07Å
324	L	92.6	Very high	91	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-32.1	176.3	-73.6	171.6	0	0	0	113.2	I18 N112 C114 N157 V159 A320 V321 I322	I18-L324 HydrophobicContact CG2-CD1 3.92Å; N112-L324 HydrophobicContact CB-CB 4.28Å; N112-L324 HydrophobicContact CB-CD1 4.25Å; N112-L324 HydrophobicContact CB-CD2 4.04Å; N112-L324 HydrophobicContact CB-CG 4.42Å; N112-L324 PolarHBondContact OD1-O 3.01Å; C114-L324 HydrophobicContact CB-CD1 4.19Å; N157-L324 HydrophobicContact CB-CD2 3.97Å; V159-L324 HydrophobicContact CB-CD1 4.48Å; V159-L324 HydrophobicContact CB-CD2 4.05Å; V159-L324 HydrophobicContact CB-CG 4.04Å; V159-L324 HydrophobicContact CG2-CD2 3.57Å; V159-L324 HydrophobicContact CG2-CG 3.61Å; A320-L324 VanDerWaalsContact O-CG 3.28Å; A320-L324 WeakPolarHBondContact O-CG 3.47Å; A320-L324 PolarHBondContact O-N 3.09Å; V321-L324 PolarHBondContact O-N 3.26Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.13Å
325	I	89.3	Confident	90.9	Very high	21 Å²	21	26.6 Å²	26.6	11%	0.108	15%	0.154	C	C	.	.	H	α-helix	trans	-77.4	-35.6	178.6	-69	167.5	0	0	0	111.1	R16 V44 V321 I322 A327	R16-I325 VanDerWaalsContact CZ-O 3.28Å; R16-I325 PolarHBondContact NH1-O 3.29Å; R16-I325 PolarHBondContact NH2-O 3.23Å; V44-I325 HydrophobicContact CB-CD1 3.96Å; V44-I325 HydrophobicContact CG1-CD1 4.37Å; V44-I325 HydrophobicContact CG2-CD1 3.25Å; V321-I325 HydrophobicContact CG1-CD1 3.69Å; V321-I325 HydrophobicContact CG1-CG1 4.48Å; V321-I325 VanDerWaalsContact O-CG1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.15Å; V321-I325 PolarHBondContact O-N 3.34Å; I322-I325 PolarHBondContact O-N 2.93Å; I322-I325 VanDerWaalsContact O-N 3.09Å; I325-A327 VanDerWaalsContact C-N 3.31Å
326	E	88.3	Confident	91	Very high	99 Å²	99	25.6 Å²	25.6	46%	0.463	15%	0.15	S	C	.	.	H	α-helix	trans	-79.6	-15.1	175.9	-68.6	172.7	178.1	0	0	112.9	I322 S328 R345	I322-E326 WeakPolarHBondContact CG2-OE1 3.22Å; I322-E326 WeakPolarHBondContact O-CG 3.2Å; I322-E326 PolarHBondContact O-N 3.3Å; E326-S328 PolarHBondContact O-N 2.68Å; E326-R345 IonicContact OE2-CZ 3.78Å; E326-R345 IonicContact OE2-NH1 2.73Å; E326-R345 PolarHBondContact OE2-NH1 3.37Å; E326-R345 IonicContact OE2-NH2 3.75Å; E326-R345 PolarHBondContact OE2-NH2 3.38Å
327	A	87.8	Confident	90.8	Very high	16 Å²	16	25.4 Å²	25.4	13%	0.132	15%	0.149	C	C	.	.			trans	-60.6	135	-178.7	0	0	0	0	0	112.6	N157 A323 I325	N157-A327 HydrophobicContact CB-CB 4.02Å; A323-A327 WeakPolarHBondContact O-CB 3.41Å; A323-A327 PolarHBondContact O-N 2.95Å; I325-A327 VanDerWaalsContact C-N 3.31Å
328	S	84.6	Confident	90.5	Very high	49 Å²	49	25.9 Å²	25.9	34%	0.343	15%	0.152	S	C	.	.			trans	-114	166.7	171.5	75.3	0	0	0	0	110	E326 N330 T331	E326-S328 PolarHBondContact O-N 2.68Å; S328-N330 PolarHBondContact O-N 2.95Å; S328-N330 PolarHBondContact OG-N 3.22Å; S328-T331 PolarHBondContact N-OG1 2.61Å; S328-T331 WeakPolarHBondContact O-CB 3.44Å; S328-T331 PolarHBondContact O-N 2.55Å; S328-T331 PolarHBondContact O-OG1 3.17Å; S328-T331 PolarHBondContact OG-N 2.92Å; S328-T331 PolarHBondContact OG-OG1 3.4Å
329	P	81.4	Confident	90.1	Very high	74 Å²	74	27.4 Å²	27.4	48%	0.481	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-32.6	173.4	-33.3	39.9	0	0	0	114.9	N155	N155-P329 WeakPolarHBondContact ND2-CB 3.43Å
330	N	83.6	Confident	89.7	Confident	151 Å²	151	28.3 Å²	28.3	81%	0.807	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.6	-177.7	-62.3	-24.3	0	0	0	113.1	S328	S328-N330 PolarHBondContact O-N 2.95Å; S328-N330 PolarHBondContact OG-N 3.22Å
331	T	84.6	Confident	88.9	Confident	41 Å²	41	28.8 Å²	28.8	25%	0.252	17%	0.174	S	C	.	.	S	Bend	trans	-70.4	122.7	179.7	-55	0	0	0	0	108.8	R129 S328 M766	R129-T331 PolarHBondContact NH2-O 3.06Å; S328-T331 PolarHBondContact N-OG1 2.61Å; S328-T331 WeakPolarHBondContact O-CB 3.44Å; S328-T331 PolarHBondContact O-N 2.55Å; S328-T331 PolarHBondContact O-OG1 3.17Å; S328-T331 PolarHBondContact OG-N 2.92Å; S328-T331 PolarHBondContact OG-OG1 3.4Å; T331-M766 HydrophobicContact CG2-CE 4.36Å
332	P	87.2	Confident	88.4	Confident	61 Å²	61	31.9 Å²	31.9	40%	0.396	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-65.4	156.8	177.7	27.8	-34.1	0	0	0	110.9	C334 M766	P332-C334 PolarHBondContact O-N 2.83Å; P332-M766 HydrophobicContact CG-CE 3.92Å; P332-M766 HydrophobicContact CG-SD 3.86Å
333	A	90.8	Very high	88.3	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.033	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-59.7	130.2	168.9	0	0	0	0	0	109	I158 L348	I158-A333 HydrophobicContact CB-CB 4.32Å; A333-L348 HydrophobicContact CB-CB 4.33Å; A333-L348 WeakPolarHBondContact O-CB 3.37Å; A333-L348 PolarHBondContact O-N 3.01Å
334	C	93.4	Very high	88.3	Confident	6 Å²	6	32.7 Å²	32.7	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	158.3	-179.7	70.4	0	0	0	0	111.8	V159 G160 P332 L346 M766	V159-C334 CarbonylContact C-O 3.56Å; V159-C334 WeakPolarHBondContact CA-O 3.38Å; G160-C334 PolarHBondContact N-O 2.78Å; P332-C334 PolarHBondContact O-N 2.83Å; C334-L346 CarbonylContact C-O 3.45Å; C334-L346 WeakPolarHBondContact CA-O 3.36Å; C334-L346 VanDerWaalsContact CB-O 3.31Å; C334-L346 WeakPolarHBondContact CB-O 3.47Å; C334-M766 HydrophobicContact CB-CE 4.18Å
335	V	95.3	Very high	88.3	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138	167.4	174.6	0	0	0	0	107.3	L122 G160 V162 F169 L346 L348	L122-V335 HydrophobicContact CD1-CG2 4.07Å; G160-V335 CarbonylContact O-C 3.53Å; G160-V335 WeakPolarHBondContact O-CA 3.31Å; V162-V335 HydrophobicContact CG2-CG1 3.43Å; V162-V335 VanDerWaalsContact CG2-CG1 3.43Å; F169-V335 HydrophobicContact CE1-CB 4.46Å; F169-V335 HydrophobicContact CE1-CG1 4.01Å; F169-V335 HydrophobicContact CE1-CG2 4.23Å; F169-V335 HydrophobicContact CZ-CG2 4.04Å; V335-L346 PolarHBondContact N-O 2.67Å; V335-L346 PolarHBondContact O-N 2.78Å; V335-L348 HydrophobicContact CG2-CB 3.82Å; V335-L348 HydrophobicContact CG2-CD1 3.65Å; V335-L348 HydrophobicContact CG2-CG 3.77Å
336	I	95.6	Very high	88.5	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.6	168.6	-42.2	-55.5	0	0	0	108	V159 G160 L161 L316 E319 A320 A323 A343 V344 R345	V159-I336 HydrophobicContact CG1-CD1 3.76Å; V159-I336 HydrophobicContact CG1-CG1 3.54Å; G160-I336 PolarHBondContact O-N 2.9Å; L161-I336 HydrophobicContact CD2-CB 3.82Å; L161-I336 HydrophobicContact CD2-CG1 3.95Å; L316-I336 HydrophobicContact CB-CB 4.49Å; L316-I336 HydrophobicContact CB-CG2 4.26Å; L316-I336 HydrophobicContact CD2-CB 4.29Å; L316-I336 HydrophobicContact CD2-CG2 3.6Å; E319-I336 HydrophobicContact CB-CG2 3.88Å; E319-I336 HydrophobicContact CG-CD1 4.25Å; E319-I336 HydrophobicContact CG-CG2 3.76Å; A320-I336 HydrophobicContact CB-CG1 3.99Å; A323-I336 HydrophobicContact CB-CD1 4.07Å; I336-A343 HydrophobicContact CG2-CB 4.22Å; I336-V344 WeakPolarHBondContact CA-O 3.37Å; I336-R345 HydrophobicContact CD1-CG 3.94Å
337	G	92.3	Very high	88.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	177.1	177.9	0	0	0	0	0	112.4	L316 A343 V344	L316-G337 WeakPolarHBondContact CD2-O 2.91Å; G337-A343 WeakPolarHBondContact O-CA 3.44Å; G337-V344 PolarHBondContact N-O 3.21Å; G337-V344 PolarHBondContact O-N 2.9Å
338	L	90.9	Very high	88.8	Confident	9 Å²	9	28.2 Å²	28.2	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130	171.7	-175.6	73.8	0	0	0	109.9	T172 D173 M174 F308 L312 G340	T172-L338 PolarHBondContact OG1-N 2.86Å; D173-L338 PolarHBondContact N-O 3.02Å; M174-L338 HydrophobicContact CB-CD2 4.13Å; F308-L338 HydrophobicContact CE1-CD2 4.42Å; F308-L338 HydrophobicContact CZ-CD2 3.82Å; L312-L338 HydrophobicContact CD1-CB 3.95Å; L312-L338 HydrophobicContact CD1-CD1 3.87Å; L312-L338 HydrophobicContact CD1-CD2 3.97Å; L312-L338 HydrophobicContact CD1-CG 4.15Å; L338-G340 WeakPolarHBondContact CG-O 3.34Å
339	C	86.6	Confident	89	Confident	33 Å²	33	29 Å²	29	22%	0.223	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.1	170.1	-176.2	0	0	0	0	108.6	D173 N341 H342 V344 K715	D173-C339 WeakPolarHBondContact OD2-CA 3.38Å; C339-N341 PolarHBondContact O-N 3.36Å; C339-N341 VanDerWaalsContact O-N 3.12Å; C339-H342 PolarHBondContact N-O 3.41Å; C339-H342 PolarHBondContact O-N 2.96Å; C339-V344 HydrophobicContact CB-CB 4.44Å; C339-V344 HydrophobicContact CB-CG1 3.62Å; C339-V344 HydrophobicContact CB-CG2 3.91Å; C339-K715 WeakPolarHBondContact SG-CE 3.29Å
340	G	85.1	Confident	89.4	Confident	19 Å²	19	28.2 Å²	28.2	20%	0.196	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-111.5	-168.5	0	0	0	0	0	111.1	D173 L338 R714	D173-G340 PolarHBondContact OD2-N 3.3Å; L338-G340 WeakPolarHBondContact CG-O 3.34Å; G340-R714 WeakPolarHBondContact CA-O 3.33Å
341	N	80.6	Confident	89.7	Confident	9 Å²	9	21 Å²	21	5%	0.048	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	1.4	177.7	51.1	-5	0	0	0	114.4	K315 C339 D536 F537 W740	K315-N341 PolarHBondContact NZ-O 3.28Å; C339-N341 PolarHBondContact O-N 3.36Å; C339-N341 VanDerWaalsContact O-N 3.12Å; N341-D536 PolarHBondContact ND2-OD2 3.36Å; N341-F537 HydrophobicContact CB-CE2 4.29Å; N341-F537 HydrophobicContact CB-CZ 4.38Å; N341-W740 HydrophobicContact CB-CD2 4.22Å; N341-W740 HydrophobicContact CB-CE3 3.93Å; N341-W740 HydrophobicContact CB-CH2 4.36Å; N341-W740 HydrophobicContact CB-CZ3 4.04Å; N341-W740 WeakPolarHBondContact ND2-CB 3.19Å
342	H	84.4	Confident	89.9	Confident	66 Å²	66	19.2 Å²	19.2	31%	0.306	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.3	-175.4	-64.9	76.9	0	0	0	112.2	C339	C339-H342 PolarHBondContact N-O 3.41Å; C339-H342 PolarHBondContact O-N 2.96Å
343	A	88.8	Confident	90	Very high	20 Å²	20	20 Å²	20	17%	0.165	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.1	170	0	0	0	0	0	109.4	L316 E319 I336 G337	L316-A343 HydrophobicContact CD2-CB 4.2Å; E319-A343 HydrophobicContact CB-CB 4.26Å; E319-A343 HydrophobicContact CG-CB 4.21Å; I336-A343 HydrophobicContact CG2-CB 4.22Å; G337-A343 WeakPolarHBondContact O-CA 3.44Å
344	V	90.5	Very high	90	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.5	-179.8	-66.6	0	0	0	0	110.4	I336 G337 C339 L346	I336-V344 WeakPolarHBondContact CA-O 3.37Å; G337-V344 PolarHBondContact N-O 3.21Å; G337-V344 PolarHBondContact O-N 2.9Å; C339-V344 HydrophobicContact CB-CB 4.44Å; C339-V344 HydrophobicContact CB-CG1 3.62Å; C339-V344 HydrophobicContact CB-CG2 3.91Å; V344-L346 HydrophobicContact CB-CD2 4.47Å; V344-L346 HydrophobicContact CG2-CD1 4.24Å; V344-L346 HydrophobicContact CG2-CD2 3.98Å; V344-L346 HydrophobicContact CG2-CG 4.08Å
345	R	93.6	Very high	89.8	Confident	27 Å²	27	21 Å²	21	10%	0.102	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.9	176.5	-56.8	179.1	-176.1	176.9	4.9	108.9	E319 E326 I336 G764 E765 M766 E767	E319-R345 IonicContact OE1-CZ 3.68Å; E319-R345 IonicContact OE1-NE 3.27Å; E319-R345 PolarHBondContact OE1-NE 2.69Å; E319-R345 IonicContact OE1-NH2 3.22Å; E319-R345 PolarHBondContact OE1-NH2 2.54Å; E326-R345 IonicContact OE2-CZ 3.78Å; E326-R345 IonicContact OE2-NH1 2.73Å; E326-R345 PolarHBondContact OE2-NH1 3.37Å; E326-R345 IonicContact OE2-NH2 3.75Å; E326-R345 PolarHBondContact OE2-NH2 3.38Å; I336-R345 HydrophobicContact CD1-CG 3.94Å; R345-G764 VanDerWaalsContact CD-O 3.31Å; R345-G764 WeakPolarHBondContact CD-O 3.38Å; R345-G764 PolarHBondContact NE-O 2.82Å; R345-G764 VanDerWaalsContact NE-O 3.14Å; R345-E765 PolarHBondContact N-O 2.78Å; R345-M766 CarbonylContact O-C 3.58Å; R345-M766 VanDerWaalsContact O-CA 3.32Å; R345-M766 WeakPolarHBondContact O-CA 3.39Å; R345-E767 PolarHBondContact O-N 3.05Å
346	L	92.5	Very high	89.6	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.3	-173.9	-54.5	171.1	0	0	0	110	G171 C334 V335 V344 L348 C351 E767 V769	G171-L346 VanDerWaalsContact C-CD1 3.48Å; G171-L346 WeakPolarHBondContact O-CD1 3.36Å; C334-L346 CarbonylContact C-O 3.45Å; C334-L346 WeakPolarHBondContact CA-O 3.36Å; C334-L346 VanDerWaalsContact CB-O 3.31Å; C334-L346 WeakPolarHBondContact CB-O 3.47Å; V335-L346 PolarHBondContact N-O 2.67Å; V335-L346 PolarHBondContact O-N 2.78Å; V344-L346 HydrophobicContact CB-CD2 4.47Å; V344-L346 HydrophobicContact CG2-CD1 4.24Å; V344-L346 HydrophobicContact CG2-CD2 3.98Å; V344-L346 HydrophobicContact CG2-CG 4.08Å; L346-L348 PolarHBondContact O-N 2.82Å; L346-C351 VanDerWaalsContact CB-SG 3.56Å; L346-E767 HydrophobicContact CD2-CB 3.98Å; L346-E767 WeakPolarHBondContact CD2-O 3.42Å; L346-V769 HydrophobicContact CB-CG2 4.03Å; L346-V769 HydrophobicContact CD1-CG2 4.23Å; L346-V769 HydrophobicContact CD2-CG2 3.78Å; L346-V769 HydrophobicContact CG-CG2 4.23Å
347	P	92.4	Very high	89.4	Confident	9 Å²	9	28.7 Å²	28.7	6%	0.058	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	123.7	172.9	-24.9	35.1	0	0	0	110.9	M349 E350 C351 M766 E767	P347-M349 VanDerWaalsContact C-N 3.34Å; P347-M349 PolarHBondContact O-N 2.91Å; P347-E350 HydrophobicContact CB-CB 4.22Å; P347-E350 HydrophobicContact CB-CG 3.91Å; P347-E350 HydrophobicContact CG-CG 4.49Å; P347-E350 PolarHBondContact O-N 2.83Å; P347-C351 PolarHBondContact O-N 2.93Å; P347-C351 PolarHBondContact O-SG 3.12Å; P347-M766 HydrophobicContact CG-CG 4.31Å; P347-M766 HydrophobicContact CG-SD 4.28Å; P347-E767 WeakPolarHBondContact CD-O 3.47Å
348	L	90.9	Very high	89.4	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-39.8	-169.6	175.9	144.8	0	0	0	112.4	L122 N126 A333 V335 L346 C351 V352	L122-L348 HydrophobicContact CB-CD1 3.93Å; L122-L348 HydrophobicContact CD2-CD1 4.38Å; N126-L348 HydrophobicContact CB-CD2 3.54Å; A333-L348 HydrophobicContact CB-CB 4.33Å; A333-L348 WeakPolarHBondContact O-CB 3.37Å; A333-L348 PolarHBondContact O-N 3.01Å; V335-L348 HydrophobicContact CG2-CB 3.82Å; V335-L348 HydrophobicContact CG2-CD1 3.65Å; V335-L348 HydrophobicContact CG2-CG 3.77Å; L346-L348 PolarHBondContact O-N 2.82Å; L348-C351 PolarHBondContact O-N 2.84Å; L348-V352 HydrophobicContact CD2-CG2 4.38Å; L348-V352 WeakPolarHBondContact O-CG2 3.45Å; L348-V352 PolarHBondContact O-N 3.12Å
349	M	87.8	Confident	89.4	Confident	67 Å²	67	31.3 Å²	31.3	33%	0.33	16%	0.163	S	C	.	.	H	α-helix	trans	-68.9	-36.3	-180	-71.9	-54.6	-56.7	0	0	112.7	N126 P347 C351 V352 D353	N126-M349 HydrophobicContact CB-SD 4.16Å; N126-M349 WeakPolarHBondContact ND2-CG 3.38Å; N126-M349 PolarHBondContact ND2-SD 2.85Å; P347-M349 VanDerWaalsContact C-N 3.34Å; P347-M349 PolarHBondContact O-N 2.91Å; M349-C351 VanDerWaalsContact C-N 3.33Å; M349-C351 PolarHBondContact O-N 2.85Å; M349-V352 PolarHBondContact O-N 3.41Å; M349-D353 WeakPolarHBondContact O-CB 3.3Å; M349-D353 PolarHBondContact O-N 3.16Å
350	E	91.1	Very high	89.7	Confident	56 Å²	56	34.8 Å²	34.8	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-43.9	175.3	-65.8	176.8	-165.6	0	0	110.8	P347 D353 M354 H768 V769	P347-E350 HydrophobicContact CB-CB 4.22Å; P347-E350 HydrophobicContact CB-CG 3.91Å; P347-E350 HydrophobicContact CG-CG 4.49Å; P347-E350 PolarHBondContact O-N 2.83Å; E350-D353 PolarHBondContact O-N 2.78Å; E350-M354 WeakPolarHBondContact O-CB 3.36Å; E350-M354 VanDerWaalsContact O-CG 3.28Å; E350-M354 WeakPolarHBondContact O-CG 3.37Å; E350-M354 PolarHBondContact O-N 3.22Å; E350-H768 IonicContact OE1-CE1 2.93Å; E350-H768 IonicContact OE1-CG 3.73Å; E350-H768 IonicContact OE1-ND1 2.75Å; E350-H768 PolarHBondContact OE1-ND1 3.49Å; E350-H768 WeakPolarHBondContact OE2-CA 3.28Å; E350-H768 IonicContact OE2-CG 2.75Å; E350-H768 IonicContact OE2-ND1 2.85Å; E350-H768 PolarHBondContact OE2-ND1 3.05Å; E350-V769 HydrophobicContact CB-CB 4.16Å; E350-V769 PolarHBondContact OE2-N 3.02Å
351	C	90.4	Very high	90.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-44.5	177.3	-58.3	0	0	0	0	112.4	F169 C170 L346 P347 L348 M349 M354 T355	F169-C351 HydrophobicContact CD1-CB 4.31Å; F169-C351 HydrophobicContact CE1-CB 3.34Å; F169-C351 HydrophobicContact CE2-CB 4.48Å; F169-C351 HydrophobicContact CZ-CB 3.44Å; F169-C351 VanDerWaalsContact CZ-CB 3.44Å; C170-C351 WeakPolarHBondContact O-CB 3.49Å; L346-C351 VanDerWaalsContact CB-SG 3.56Å; P347-C351 PolarHBondContact O-N 2.93Å; P347-C351 PolarHBondContact O-SG 3.12Å; L348-C351 PolarHBondContact O-N 2.84Å; M349-C351 VanDerWaalsContact C-N 3.33Å; M349-C351 PolarHBondContact O-N 2.85Å; C351-M354 PolarHBondContact O-N 3.34Å; C351-T355 WeakPolarHBondContact O-CB 3.3Å; C351-T355 PolarHBondContact O-N 3.41Å; C351-T355 PolarHBondContact O-OG1 3.44Å
352	V	88.4	Confident	90.7	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-43.4	179.1	169.1	0	0	0	0	111	F169 L348 M349 T355 K356	F169-V352 HydrophobicContact CE2-CG2 4.18Å; F169-V352 HydrophobicContact CZ-CG2 4.39Å; L348-V352 HydrophobicContact CD2-CG2 4.38Å; L348-V352 WeakPolarHBondContact O-CG2 3.45Å; L348-V352 PolarHBondContact O-N 3.12Å; M349-V352 PolarHBondContact O-N 3.41Å; V352-T355 WeakPolarHBondContact O-CB 2.96Å; V352-T355 PolarHBondContact O-N 3.34Å; V352-K356 HydrophobicContact CG1-CD 4.3Å; V352-K356 WeakPolarHBondContact O-CG 3.4Å; V352-K356 PolarHBondContact O-N 2.94Å
353	D	89.4	Confident	91	Very high	78 Å²	78	36.5 Å²	36.5	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-67.4	-40.3	-179.9	-69.5	-21.3	0	0	0	111.2	M349 E350 T355 K356 L357	M349-D353 WeakPolarHBondContact O-CB 3.3Å; M349-D353 PolarHBondContact O-N 3.16Å; E350-D353 PolarHBondContact O-N 2.78Å; D353-T355 VanDerWaalsContact C-N 3.33Å; D353-T355 PolarHBondContact O-N 3.12Å; D353-K356 PolarHBondContact O-N 3.42Å; D353-L357 VanDerWaalsContact O-CG 3.31Å; D353-L357 WeakPolarHBondContact O-CG 3.16Å; D353-L357 PolarHBondContact O-N 3.21Å
354	M	89.8	Confident	91.3	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.069	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-40.5	171.7	-71.1	-52.9	-66.8	0	0	112.3	C170 E350 C351 K356 L357 V358 L373 V769 R771 I774	C170-M354 HydrophobicContact CB-CB 3.72Å; E350-M354 WeakPolarHBondContact O-CB 3.36Å; E350-M354 VanDerWaalsContact O-CG 3.28Å; E350-M354 WeakPolarHBondContact O-CG 3.37Å; E350-M354 PolarHBondContact O-N 3.22Å; C351-M354 PolarHBondContact O-N 3.34Å; M354-K356 PolarHBondContact O-N 3Å; M354-L357 HydrophobicContact CE-CD1 4.48Å; M354-L357 WeakPolarHBondContact O-CB 3.35Å; M354-L357 PolarHBondContact O-N 2.98Å; M354-L357 HydrophobicContact SD-CD1 3.71Å; M354-V358 PolarHBondContact O-N 2.9Å; M354-V358 VanDerWaalsContact O-N 3.17Å; M354-L373 HydrophobicContact CE-CD2 3.52Å; M354-V769 HydrophobicContact CG-CG1 4.05Å; M354-R771 HydrophobicContact CE-CG 3.76Å; M354-R771 HydrophobicContact SD-CG 4.4Å; M354-I774 HydrophobicContact CB-CD1 4.34Å; M354-I774 HydrophobicContact CE-CD1 3.52Å; M354-I774 HydrophobicContact CG-CD1 4.17Å
355	T	89.9	Confident	91.5	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-42.2	176.6	-56.3	0	0	0	0	111.5	D168 C170 C351 V352 D353 L357 V358 Q359	D168-T355 WeakPolarHBondContact O-CG2 3.29Å; C170-T355 PolarHBondContact N-OG1 3.48Å; C170-T355 VanDerWaalsContact N-OG1 3.08Å; C351-T355 WeakPolarHBondContact O-CB 3.3Å; C351-T355 PolarHBondContact O-N 3.41Å; C351-T355 PolarHBondContact O-OG1 3.44Å; V352-T355 WeakPolarHBondContact O-CB 2.96Å; V352-T355 PolarHBondContact O-N 3.34Å; D353-T355 VanDerWaalsContact C-N 3.33Å; D353-T355 PolarHBondContact O-N 3.12Å; T355-L357 VanDerWaalsContact C-N 3.32Å; T355-L357 PolarHBondContact O-N 3.09Å; T355-V358 WeakPolarHBondContact O-CB 3.15Å; T355-V358 PolarHBondContact O-N 3.37Å; T355-Q359 PolarHBondContact O-N 3.38Å
356	K	90.3	Very high	91.5	Very high	114 Å²	114	49 Å²	49	50%	0.496	23%	0.227	S	C	.	.	H	α-helix	trans	-65	-34.4	174.1	-70.9	172.1	-175.5	166	0	112.5	V352 D353 M354 V358 Q359 K360	V352-K356 HydrophobicContact CG1-CD 4.3Å; V352-K356 WeakPolarHBondContact O-CG 3.4Å; V352-K356 PolarHBondContact O-N 2.94Å; D353-K356 PolarHBondContact O-N 3.42Å; M354-K356 PolarHBondContact O-N 3Å; K356-V358 VanDerWaalsContact C-N 3.32Å; K356-V358 PolarHBondContact O-N 2.64Å; K356-Q359 PolarHBondContact O-N 2.91Å; K356-K360 WeakPolarHBondContact O-CB 3.39Å; K356-K360 PolarHBondContact O-N 3.36Å
357	L	92.2	Very high	91.6	Very high	49 Å²	49	50.5 Å²	50.5	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-36.3	176.1	-75.5	172.4	0	0	0	112.2	D353 M354 T355 K360 A361 L373	D353-L357 VanDerWaalsContact O-CG 3.31Å; D353-L357 WeakPolarHBondContact O-CG 3.16Å; D353-L357 PolarHBondContact O-N 3.21Å; M354-L357 HydrophobicContact CE-CD1 4.48Å; M354-L357 WeakPolarHBondContact O-CB 3.35Å; M354-L357 PolarHBondContact O-N 2.98Å; M354-L357 HydrophobicContact SD-CD1 3.71Å; T355-L357 VanDerWaalsContact C-N 3.32Å; T355-L357 PolarHBondContact O-N 3.09Å; L357-K360 PolarHBondContact O-N 3.37Å; L357-A361 WeakPolarHBondContact O-CB 3.12Å; L357-A361 PolarHBondContact O-N 3.46Å; L357-L373 HydrophobicContact CB-CD1 4.39Å
358	V	91.5	Very high	91.6	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-52.2	171.9	179	0	0	0	0	109.9	M354 T355 K356 K360 A361 M362 A370 L373	M354-V358 PolarHBondContact O-N 2.9Å; M354-V358 VanDerWaalsContact O-N 3.17Å; T355-V358 WeakPolarHBondContact O-CB 3.15Å; T355-V358 PolarHBondContact O-N 3.37Å; K356-V358 VanDerWaalsContact C-N 3.32Å; K356-V358 PolarHBondContact O-N 2.64Å; V358-K360 VanDerWaalsContact C-N 3.28Å; V358-K360 PolarHBondContact O-N 3.41Å; V358-A361 PolarHBondContact O-N 3.18Å; V358-A361 VanDerWaalsContact O-N 3.14Å; V358-M362 HydrophobicContact CG1-CG 4.39Å; V358-M362 VanDerWaalsContact O-CG 3.23Å; V358-M362 WeakPolarHBondContact O-CG 3.44Å; V358-M362 PolarHBondContact O-N 2.97Å; V358-A370 HydrophobicContact CG1-CB 4.5Å; V358-L373 HydrophobicContact CG2-CB 3.58Å; V358-L373 HydrophobicContact CG2-CD1 4.38Å
359	Q	90.4	Very high	91.7	Very high	63 Å²	63	60.1 Å²	60.1	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-38.6	-179.9	-171.1	63	49.8	0	0	112	T355 K356 M362 N363	T355-Q359 PolarHBondContact O-N 3.38Å; K356-Q359 PolarHBondContact O-N 2.91Å; Q359-M362 WeakPolarHBondContact O-CB 3.25Å; Q359-M362 PolarHBondContact O-N 3.18Å; Q359-N363 PolarHBondContact NE2-OD1 2.99Å; Q359-N363 WeakPolarHBondContact O-CB 3.42Å; Q359-N363 PolarHBondContact O-N 2.97Å; Q359-N363 PolarHBondContact O-OD1 3.33Å
360	K	93.9	Very high	92	Very high	106 Å²	106	57 Å²	57	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-46.7	174.7	-176.4	177.5	177.2	178.9	0	111.6	K356 L357 V358 M362 N363 E364	K356-K360 WeakPolarHBondContact O-CB 3.39Å; K356-K360 PolarHBondContact O-N 3.36Å; L357-K360 PolarHBondContact O-N 3.37Å; V358-K360 VanDerWaalsContact C-N 3.28Å; V358-K360 PolarHBondContact O-N 3.41Å; K360-M362 VanDerWaalsContact C-N 3.29Å; K360-M362 PolarHBondContact O-N 3.24Å; K360-N363 PolarHBondContact O-N 3.1Å; K360-E364 WeakPolarHBondContact CE-OE1 3.48Å; K360-E364 HydrophobicContact CG-CG 4.48Å; K360-E364 WeakPolarHBondContact CG-OE1 3.31Å; K360-E364 IonicContact NZ-OE1 3.2Å; K360-E364 WeakPolarHBondContact O-CB 3.3Å; K360-E364 WeakPolarHBondContact O-CG 3.46Å; K360-E364 PolarHBondContact O-N 3.37Å
361	A	93.9	Very high	92.1	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-41.4	177.1	0	0	0	0	0	111.5	L357 V358 E364 R365 R366 A370 L373	L357-A361 WeakPolarHBondContact O-CB 3.12Å; L357-A361 PolarHBondContact O-N 3.46Å; V358-A361 PolarHBondContact O-N 3.18Å; V358-A361 VanDerWaalsContact O-N 3.14Å; A361-E364 CarbonylContact O-C 3.18Å; A361-E364 PolarHBondContact O-N 3.05Å; A361-R365 PolarHBondContact O-N 3.44Å; A361-R366 HydrophobicContact CB-CB 4.24Å; A361-R366 WeakPolarHBondContact O-CA 3.45Å; A361-R366 PolarHBondContact O-N 3.19Å; A361-A370 HydrophobicContact CB-CB 4.2Å; A361-L373 HydrophobicContact CB-CD1 4.19Å
362	M	91.9	Very high	92.1	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.064	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-48.1	175.6	-68.4	-67.6	-70.9	0	0	112.8	P231 E232 I267 V358 Q359 K360 E364 R365 F367 A370	P231-M362 HydrophobicContact CB-CE 3.55Å; P231-M362 HydrophobicContact CG-CE 4.49Å; P231-M362 WeakPolarHBondContact O-CE 3.3Å; E232-M362 HydrophobicContact CG-SD 4.39Å; I267-M362 HydrophobicContact CD1-CE 4.43Å; V358-M362 HydrophobicContact CG1-CG 4.39Å; V358-M362 VanDerWaalsContact O-CG 3.23Å; V358-M362 WeakPolarHBondContact O-CG 3.44Å; V358-M362 PolarHBondContact O-N 2.97Å; Q359-M362 WeakPolarHBondContact O-CB 3.25Å; Q359-M362 PolarHBondContact O-N 3.18Å; K360-M362 VanDerWaalsContact C-N 3.29Å; K360-M362 PolarHBondContact O-N 3.24Å; M362-E364 VanDerWaalsContact C-N 3.29Å; M362-E364 PolarHBondContact O-N 3.13Å; M362-R365 PolarHBondContact O-N 3.2Å; M362-R365 VanDerWaalsContact O-N 3.07Å; M362-F367 HydrophobicContact CE-CD1 4.31Å; M362-F367 HydrophobicContact CE-CE1 4.32Å; M362-F367 HydrophobicContact SD-CD1 3.8Å; M362-F367 HydrophobicContact SD-CE1 4.25Å; M362-A370 HydrophobicContact CG-CB 3.72Å; M362-A370 HydrophobicContact SD-CB 3.36Å; M362-A370 WeakPolarHBondContact SD-CB 3.28Å
363	N	92.1	Very high	92.2	Very high	116 Å²	116	60.5 Å²	60.5	62%	0.62	28%	0.278	S	S	*	.	H	α-helix	trans	-64.1	-35.1	178.9	-67.6	-7.6	0	0	0	112.2	Q359 K360 R365	Q359-N363 PolarHBondContact NE2-OD1 2.99Å; Q359-N363 WeakPolarHBondContact O-CB 3.42Å; Q359-N363 PolarHBondContact O-N 2.97Å; Q359-N363 PolarHBondContact O-OD1 3.33Å; K360-N363 PolarHBondContact O-N 3.1Å; N363-R365 PolarHBondContact O-N 2.94Å
364	E	94.7	Very high	92.1	Very high	96 Å²	96	58.8 Å²	58.8	45%	0.449	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.6	176.5	-67.4	172.7	177.9	0	0	113.1	K360 A361 M362 R366	K360-E364 WeakPolarHBondContact CE-OE1 3.48Å; K360-E364 HydrophobicContact CG-CG 4.48Å; K360-E364 WeakPolarHBondContact CG-OE1 3.31Å; K360-E364 IonicContact NZ-OE1 3.2Å; K360-E364 WeakPolarHBondContact O-CB 3.3Å; K360-E364 WeakPolarHBondContact O-CG 3.46Å; K360-E364 PolarHBondContact O-N 3.37Å; A361-E364 CarbonylContact O-C 3.18Å; A361-E364 PolarHBondContact O-N 3.05Å; M362-E364 VanDerWaalsContact C-N 3.29Å; M362-E364 PolarHBondContact O-N 3.13Å; E364-R366 HydrophobicContact CB-CG 4.37Å; E364-R366 PolarHBondContact O-N 3.35Å; E364-R366 IonicContact OE2-CZ 3.03Å; E364-R366 IonicContact OE2-NE 3.71Å; E364-R366 PolarHBondContact OE2-NE 2.83Å; E364-R366 IonicContact OE2-NH2 2.69Å; E364-R366 PolarHBondContact OE2-NH2 3.48Å
365	R	93.7	Very high	92	Very high	144 Å²	144	58.5 Å²	58.5	54%	0.543	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	24.3	179.5	-53.1	177.6	-179.1	170.3	-4.3	114.4	N270 A361 M362 N363 F367	N270-R365 PolarHBondContact O-NH2 3.45Å; A361-R365 PolarHBondContact O-N 3.44Å; M362-R365 PolarHBondContact O-N 3.2Å; M362-R365 VanDerWaalsContact O-N 3.07Å; N363-R365 PolarHBondContact O-N 2.94Å; R365-F367 VanDerWaalsContact C-N 3.25Å; R365-F367 HydrophobicContact CB-CE2 3.8Å; R365-F367 HydrophobicContact CB-CZ 3.97Å; R365-F367 HydrophobicContact CG-CE2 4.31Å; R365-F367 HydrophobicContact CG-CZ 4.12Å; R365-F367 WeakPolarHBondContact O-CD2 3.32Å; R365-F367 PolarHBondContact O-N 2.91Å; R365-F367 VanDerWaalsContact O-N 3.15Å
366	R	94.5	Very high	91.7	Very high	78 Å²	78	58 Å²	58	29%	0.294	27%	0.265	S	S	.	.			trans	-86.6	59.7	172.8	-63	-174.8	-70.7	124.4	7	110.4	A361 E364 E368 E369 A370	A361-R366 HydrophobicContact CB-CB 4.24Å; A361-R366 WeakPolarHBondContact O-CA 3.45Å; A361-R366 PolarHBondContact O-N 3.19Å; E364-R366 HydrophobicContact CB-CG 4.37Å; E364-R366 PolarHBondContact O-N 3.35Å; E364-R366 IonicContact OE2-CZ 3.03Å; E364-R366 IonicContact OE2-NE 3.71Å; E364-R366 PolarHBondContact OE2-NE 2.83Å; E364-R366 IonicContact OE2-NH2 2.69Å; E364-R366 PolarHBondContact OE2-NH2 3.48Å; R366-E368 PolarHBondContact O-N 3.14Å; R366-E369 HydrophobicContact CB-CB 4.26Å; R366-E369 IonicContact CZ-OE1 3.53Å; R366-E369 IonicContact CZ-OE2 2.8Å; R366-E369 IonicContact NH1-OE1 3.08Å; R366-E369 PolarHBondContact NH1-OE1 3.06Å; R366-E369 IonicContact NH1-OE2 3.91Å; R366-E369 PolarHBondContact NH1-OE2 2.71Å; R366-E369 WeakPolarHBondContact O-CB 3.4Å; R366-E369 PolarHBondContact O-N 3.44Å; R366-E369 VanDerWaalsContact O-N 3.13Å; R366-A370 PolarHBondContact O-N 3.49Å
367	F	94.3	Very high	91.5	Very high	36 Å²	36	55.3 Å²	55.3	16%	0.158	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-39	-170.9	-58.9	-61.4	0	0	0	114	P234 I267 M362 R365 E369 A370 V371	P234-F367 HydrophobicContact CG-CD1 3.72Å; P234-F367 HydrophobicContact CG-CD2 4.04Å; P234-F367 HydrophobicContact CG-CE1 3.55Å; P234-F367 HydrophobicContact CG-CE2 3.87Å; P234-F367 HydrophobicContact CG-CG 3.98Å; P234-F367 HydrophobicContact CG-CZ 3.63Å; I267-F367 HydrophobicContact CD1-CE1 4.05Å; I267-F367 HydrophobicContact CD1-CZ 4.38Å; M362-F367 HydrophobicContact CE-CD1 4.31Å; M362-F367 HydrophobicContact CE-CE1 4.32Å; M362-F367 HydrophobicContact SD-CD1 3.8Å; M362-F367 HydrophobicContact SD-CE1 4.25Å; R365-F367 VanDerWaalsContact C-N 3.25Å; R365-F367 HydrophobicContact CB-CE2 3.8Å; R365-F367 HydrophobicContact CB-CZ 3.97Å; R365-F367 HydrophobicContact CG-CE2 4.31Å; R365-F367 HydrophobicContact CG-CZ 4.12Å; R365-F367 WeakPolarHBondContact O-CD2 3.32Å; R365-F367 PolarHBondContact O-N 2.91Å; R365-F367 VanDerWaalsContact O-N 3.15Å; F367-E369 VanDerWaalsContact C-N 3.26Å; F367-E369 PolarHBondContact O-N 2.92Å; F367-A370 WeakPolarHBondContact O-CB 3.43Å; F367-A370 PolarHBondContact O-N 3.37Å; F367-A370 VanDerWaalsContact O-N 3.11Å; F367-V371 PolarHBondContact O-N 3.05Å
368	E	92.7	Very high	91.5	Very high	158 Å²	158	53.4 Å²	53.4	74%	0.738	25%	0.25	S	C	*	.	H	α-helix	trans	-60.9	-37.2	175.5	-66	-174.2	177.4	0	0	112.3	R366 K372	R366-E368 PolarHBondContact O-N 3.14Å; E368-K372 WeakPolarHBondContact O-CG 3.29Å; E368-K372 PolarHBondContact O-N 3.49Å
369	E	93	Very high	91.5	Very high	54 Å²	54	56.3 Å²	56.3	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-70.5	-39.1	174.7	-172.9	175.1	150.9	0	0	111.2	R366 F367 V371 K372 L373 R771	R366-E369 HydrophobicContact CB-CB 4.26Å; R366-E369 IonicContact CZ-OE1 3.53Å; R366-E369 IonicContact CZ-OE2 2.8Å; R366-E369 IonicContact NH1-OE1 3.08Å; R366-E369 PolarHBondContact NH1-OE1 3.06Å; R366-E369 IonicContact NH1-OE2 3.91Å; R366-E369 PolarHBondContact NH1-OE2 2.71Å; R366-E369 WeakPolarHBondContact O-CB 3.4Å; R366-E369 PolarHBondContact O-N 3.44Å; R366-E369 VanDerWaalsContact O-N 3.13Å; F367-E369 VanDerWaalsContact C-N 3.26Å; F367-E369 PolarHBondContact O-N 2.92Å; E369-V371 VanDerWaalsContact C-N 3.34Å; E369-V371 PolarHBondContact O-N 3.09Å; E369-K372 PolarHBondContact O-N 3.06Å; E369-L373 HydrophobicContact CG-CD1 3.94Å; E369-L373 HydrophobicContact CG-CG 4.18Å; E369-L373 WeakPolarHBondContact O-CB 3.32Å; E369-L373 VanDerWaalsContact O-CG 3.23Å; E369-L373 WeakPolarHBondContact O-CG 3.43Å; E369-L373 PolarHBondContact O-N 3.43Å; E369-R771 IonicContact OE1-CZ 3.97Å; E369-R771 IonicContact OE1-NH2 3.74Å
370	A	93.1	Very high	91.5	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-43.2	175.9	0	0	0	0	0	112.2	V358 A361 M362 R366 F367 K372 L373 R374	V358-A370 HydrophobicContact CG1-CB 4.5Å; A361-A370 HydrophobicContact CB-CB 4.2Å; M362-A370 HydrophobicContact CG-CB 3.72Å; M362-A370 HydrophobicContact SD-CB 3.36Å; M362-A370 WeakPolarHBondContact SD-CB 3.28Å; R366-A370 PolarHBondContact O-N 3.49Å; F367-A370 WeakPolarHBondContact O-CB 3.43Å; F367-A370 PolarHBondContact O-N 3.37Å; F367-A370 VanDerWaalsContact O-N 3.11Å; A370-K372 PolarHBondContact O-N 3.04Å; A370-L373 PolarHBondContact O-N 3.15Å; A370-R374 WeakPolarHBondContact O-CG 3.47Å; A370-R374 PolarHBondContact O-N 3.07Å; A370-R374 VanDerWaalsContact O-N 3.07Å
371	V	93.4	Very high	91.5	Very high	14 Å²	14	51 Å²	51	9%	0.085	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-46.5	174.1	171.6	0	0	0	0	111.1	E232 F367 E369 L373 R374 F378 E379 L382	E232-V371 HydrophobicContact CB-CG2 3.99Å; E232-V371 WeakPolarHBondContact O-CG2 3.37Å; F367-V371 PolarHBondContact O-N 3.05Å; E369-V371 VanDerWaalsContact C-N 3.34Å; E369-V371 PolarHBondContact O-N 3.09Å; V371-L373 VanDerWaalsContact C-N 3.34Å; V371-L373 PolarHBondContact O-N 3.37Å; V371-R374 WeakPolarHBondContact O-CB 3.49Å; V371-R374 PolarHBondContact O-N 3.26Å; V371-F378 HydrophobicContact CG1-CD1 4.29Å; V371-E379 HydrophobicContact CG1-CB 3.86Å; V371-E379 HydrophobicContact CG1-CG 4.01Å; V371-L382 HydrophobicContact CG1-CD2 4.13Å; V371-L382 HydrophobicContact CG2-CD2 3.92Å
372	K	91.6	Very high	91.6	Very high	110 Å²	110	51.3 Å²	51.3	48%	0.478	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-38.3	178.1	-71	173.1	-178.3	174	0	112.4	E368 E369 A370 R374 G375 I774	E368-K372 WeakPolarHBondContact O-CG 3.29Å; E368-K372 PolarHBondContact O-N 3.49Å; E369-K372 PolarHBondContact O-N 3.06Å; A370-K372 PolarHBondContact O-N 3.04Å; K372-R374 VanDerWaalsContact C-N 3.29Å; K372-R374 PolarHBondContact O-N 3.27Å; K372-G375 PolarHBondContact O-N 3.02Å; K372-I774 WeakPolarHBondContact O-CG2 3.32Å
373	L	89.7	Confident	91.6	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-69.9	-22.8	178	-70.3	170.5	0	0	0	113.2	M354 L357 V358 A361 E369 A370 V371 G375 R771	M354-L373 HydrophobicContact CE-CD2 3.52Å; L357-L373 HydrophobicContact CB-CD1 4.39Å; V358-L373 HydrophobicContact CG2-CB 3.58Å; V358-L373 HydrophobicContact CG2-CD1 4.38Å; A361-L373 HydrophobicContact CB-CD1 4.19Å; E369-L373 HydrophobicContact CG-CD1 3.94Å; E369-L373 HydrophobicContact CG-CG 4.18Å; E369-L373 WeakPolarHBondContact O-CB 3.32Å; E369-L373 VanDerWaalsContact O-CG 3.23Å; E369-L373 WeakPolarHBondContact O-CG 3.43Å; E369-L373 PolarHBondContact O-N 3.43Å; A370-L373 PolarHBondContact O-N 3.15Å; V371-L373 VanDerWaalsContact C-N 3.34Å; V371-L373 PolarHBondContact O-N 3.37Å; L373-G375 PolarHBondContact O-N 3.29Å; L373-R771 HydrophobicContact CD2-CG 4.45Å
374	R	88.1	Confident	91.7	Very high	42 Å²	42	49.3 Å²	49.3	16%	0.158	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.7	168.7	-68.8	-69	-169.7	-156.1	-2.9	112.7	D168 H211 C212 E232 A370 V371 K372 F378	D168-R374 PolarHBondContact O-NH1 3.47Å; H211-R374 PolarHBondContact O-NH2 3.3Å; H211-R374 VanDerWaalsContact O-NH2 3.08Å; C212-R374 VanDerWaalsContact SG-CZ 3.5Å; E232-R374 HydrophobicContact CG-CG 4.19Å; E232-R374 IonicContact OE1-CZ 2.64Å; E232-R374 IonicContact OE1-NE 3.87Å; E232-R374 PolarHBondContact OE1-NE 3.48Å; E232-R374 IonicContact OE1-NH2 3.01Å; E232-R374 PolarHBondContact OE1-NH2 3.31Å; A370-R374 WeakPolarHBondContact O-CG 3.47Å; A370-R374 PolarHBondContact O-N 3.07Å; A370-R374 VanDerWaalsContact O-N 3.07Å; V371-R374 WeakPolarHBondContact O-CB 3.49Å; V371-R374 PolarHBondContact O-N 3.26Å; K372-R374 VanDerWaalsContact C-N 3.29Å; K372-R374 PolarHBondContact O-N 3.27Å; R374-F378 HydrophobicContact CB-CB 3.71Å; R374-F378 HydrophobicContact CB-CD1 3.9Å; R374-F378 HydrophobicContact CB-CD2 4.08Å; R374-F378 HydrophobicContact CB-CG 3.63Å; R374-F378 HydrophobicContact CG-CD1 4.28Å; R374-F378 HydrophobicContact CG-CD2 4.34Å; R374-F378 HydrophobicContact CG-CE1 4.49Å; R374-F378 HydrophobicContact CG-CG 4.23Å
375	G	86.8	Confident	91.6	Very high	8 Å²	8	45.4 Å²	45.4	8%	0.082	21%	0.214	C	C	.	.			trans	100.3	163.3	175.4	0	0	0	0	0	114.6	K372 L373 S377 F378 E379	K372-G375 PolarHBondContact O-N 3.02Å; L373-G375 PolarHBondContact O-N 3.29Å; G375-S377 VanDerWaalsContact C-N 3.27Å; G375-S377 PolarHBondContact O-N 3Å; G375-F378 WeakPolarHBondContact O-CB 3.42Å; G375-F378 PolarHBondContact O-N 2.89Å; G375-E379 PolarHBondContact O-N 3.1Å
376	G	84	Confident	91.5	Very high	7 Å²	7	43.1 Å²	43.1	7%	0.072	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-32.5	-172.4	0	0	0	0	0	114	N380	G376-N380 WeakPolarHBondContact O-CB 3.17Å; G376-N380 PolarHBondContact O-N 3.5Å; G376-N380 PolarHBondContact O-ND2 2.95Å
377	S	86	Confident	91.3	Very high	57 Å²	57	42.2 Å²	42.2	40%	0.399	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-41	175.6	-176.8	0	0	0	0	112.6	G375 N381	G375-S377 VanDerWaalsContact C-N 3.27Å; G375-S377 PolarHBondContact O-N 3Å; S377-N381 WeakPolarHBondContact O-CB 3.27Å; S377-N381 PolarHBondContact O-N 2.72Å; S377-N381 PolarHBondContact O-OD1 2.75Å
378	F	91.6	Very high	90.9	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-48	177.1	-172.8	-81.5	0	0	0	111	Y214 L217 I230 E232 V371 R374 G375 N380 N381 L382	Y214-F378 HydrophobicContact CD2-CD2 4.13Å; L217-F378 HydrophobicContact CD2-CD1 4.42Å; L217-F378 HydrophobicContact CD2-CD2 4.26Å; L217-F378 HydrophobicContact CD2-CE1 4.21Å; L217-F378 HydrophobicContact CD2-CE2 4.05Å; L217-F378 HydrophobicContact CD2-CG 4.43Å; L217-F378 HydrophobicContact CD2-CZ 4.02Å; I230-F378 HydrophobicContact CD1-CE1 4.35Å; I230-F378 HydrophobicContact CD1-CZ 4.08Å; E232-F378 HydrophobicContact CB-CE1 3.92Å; E232-F378 HydrophobicContact CB-CZ 4.01Å; E232-F378 HydrophobicContact CG-CE1 4.14Å; E232-F378 HydrophobicContact CG-CZ 3.92Å; V371-F378 HydrophobicContact CG1-CD1 4.29Å; R374-F378 HydrophobicContact CB-CB 3.71Å; R374-F378 HydrophobicContact CB-CD1 3.9Å; R374-F378 HydrophobicContact CB-CD2 4.08Å; R374-F378 HydrophobicContact CB-CG 3.63Å; R374-F378 HydrophobicContact CG-CD1 4.28Å; R374-F378 HydrophobicContact CG-CD2 4.34Å; R374-F378 HydrophobicContact CG-CE1 4.49Å; R374-F378 HydrophobicContact CG-CG 4.23Å; G375-F378 WeakPolarHBondContact O-CB 3.42Å; G375-F378 PolarHBondContact O-N 2.89Å; F378-N380 PolarHBondContact O-N 2.88Å; F378-N381 PolarHBondContact O-N 3.01Å; F378-L382 PolarHBondContact O-N 3.26Å
379	E	92.7	Very high	90.5	Very high	63 Å²	63	33.9 Å²	33.9	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-58.2	-46.7	176.8	-178.3	171.5	-162.1	0	0	111.7	V371 G375 N381 L382 N383	V371-E379 HydrophobicContact CG1-CB 3.86Å; V371-E379 HydrophobicContact CG1-CG 4.01Å; G375-E379 PolarHBondContact O-N 3.1Å; E379-N381 PolarHBondContact O-N 2.85Å; E379-L382 PolarHBondContact O-N 2.89Å; E379-N383 WeakPolarHBondContact O-CB 3.34Å; E379-N383 VanDerWaalsContact O-CG 3.28Å; E379-N383 PolarHBondContact O-N 2.84Å; E379-N383 PolarHBondContact O-ND2 2.83Å
380	N	90.9	Very high	90	Very high	55 Å²	55	35.5 Å²	35.5	29%	0.294	18%	0.178	S	C	.	.	H	α-helix	trans	-61.2	-43.8	177.1	-77	-31.9	0	0	0	112.1	G376 F378 L382 N383 I384	G376-N380 WeakPolarHBondContact O-CB 3.17Å; G376-N380 PolarHBondContact O-N 3.5Å; G376-N380 PolarHBondContact O-ND2 2.95Å; F378-N380 PolarHBondContact O-N 2.88Å; N380-L382 VanDerWaalsContact C-N 3.31Å; N380-L382 PolarHBondContact O-N 2.73Å; N380-N383 PolarHBondContact O-N 2.95Å; N380-I384 WeakPolarHBondContact O-CB 3.38Å; N380-I384 VanDerWaalsContact O-CG1 3.22Å; N380-I384 WeakPolarHBondContact O-CG1 3.39Å; N380-I384 PolarHBondContact O-N 2.98Å
381	N	93.7	Very high	89	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-41.3	175.6	-72	-6.9	0	0	0	111.3	L217 L221 S377 F378 E379 I384 Y385 K677	L217-N381 HydrophobicContact CD2-CB 3.8Å; L217-N381 HydrophobicContact CG-CB 4.15Å; L221-N381 HydrophobicContact CD1-CB 3.81Å; S377-N381 WeakPolarHBondContact O-CB 3.27Å; S377-N381 PolarHBondContact O-N 2.72Å; S377-N381 PolarHBondContact O-OD1 2.75Å; F378-N381 PolarHBondContact O-N 3.01Å; E379-N381 PolarHBondContact O-N 2.85Å; N381-I384 PolarHBondContact O-N 2.93Å; N381-Y385 WeakPolarHBondContact O-CB 3.44Å; N381-Y385 PolarHBondContact O-N 3.48Å; N381-K677 WeakPolarHBondContact OD1-CD 3.36Å; N381-K677 WeakPolarHBondContact OD1-CE 3.32Å; N381-K677 PolarHBondContact OD1-NZ 3.34Å
382	L	94.7	Very high	88.1	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-41.5	177.7	-179.2	59.8	0	0	0	111.8	L217 I230 A233 V371 F378 E379 N380 Y385 K386	L217-L382 HydrophobicContact CD1-CD1 4.33Å; L217-L382 HydrophobicContact CD2-CB 4.16Å; I230-L382 HydrophobicContact CD1-CD1 3.87Å; A233-L382 HydrophobicContact CB-CD1 4.26Å; A233-L382 HydrophobicContact CB-CD2 3.79Å; V371-L382 HydrophobicContact CG1-CD2 4.13Å; V371-L382 HydrophobicContact CG2-CD2 3.92Å; F378-L382 PolarHBondContact O-N 3.26Å; E379-L382 PolarHBondContact O-N 2.89Å; N380-L382 VanDerWaalsContact C-N 3.31Å; N380-L382 PolarHBondContact O-N 2.73Å; L382-Y385 PolarHBondContact O-N 3.36Å; L382-K386 HydrophobicContact CG-CD 4.39Å; L382-K386 WeakPolarHBondContact O-CB 3.33Å; L382-K386 VanDerWaalsContact O-CG 3.32Å; L382-K386 WeakPolarHBondContact O-CG 3.24Å; L382-K386 PolarHBondContact O-N 2.78Å
383	N	93.4	Very high	86.9	Confident	74 Å²	74	45 Å²	45	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-42.8	177.3	-70.7	-23.6	0	0	0	111.7	E379 N380 K386 L387	E379-N383 WeakPolarHBondContact O-CB 3.34Å; E379-N383 VanDerWaalsContact O-CG 3.28Å; E379-N383 PolarHBondContact O-N 2.84Å; E379-N383 PolarHBondContact O-ND2 2.83Å; N380-N383 PolarHBondContact O-N 2.95Å; N383-K386 PolarHBondContact O-N 2.75Å; N383-L387 WeakPolarHBondContact O-CB 3.31Å; N383-L387 PolarHBondContact O-N 3Å
384	I	93.1	Very high	86	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.072	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-43.6	174.6	-70.5	168	0	0	0	110.6	L221 N380 N381 L387 L388 T676 K677 V680	L221-I384 HydrophobicContact CD2-CG2 3.93Å; N380-I384 WeakPolarHBondContact O-CB 3.38Å; N380-I384 VanDerWaalsContact O-CG1 3.22Å; N380-I384 WeakPolarHBondContact O-CG1 3.39Å; N380-I384 PolarHBondContact O-N 2.98Å; N381-I384 PolarHBondContact O-N 2.93Å; I384-L387 PolarHBondContact O-N 2.79Å; I384-L388 HydrophobicContact CG2-CD1 3.88Å; I384-L388 HydrophobicContact CG2-CG 4.49Å; I384-L388 WeakPolarHBondContact O-CG 3.29Å; I384-L388 PolarHBondContact O-N 3.03Å; I384-T676 HydrophobicContact CG2-CG2 4.39Å; I384-K677 HydrophobicContact CD1-CB 4.12Å; I384-K677 HydrophobicContact CD1-CG 3.8Å; I384-V680 HydrophobicContact CG1-CG1 4.22Å; I384-V680 HydrophobicContact CG2-CB 4.46Å; I384-V680 HydrophobicContact CG2-CG2 3.91Å
385	Y	93.8	Very high	84.9	Confident	13 Å²	13	53 Å²	53	5%	0.051	28%	0.283	C	S	.	.	H	α-helix	trans	-58	-51.8	174.1	170.4	-100.1	0	0	0	110	L217 A220 W227 L228 N381 L382 L387 L388 A389 F390	L217-Y385 HydrophobicContact CD1-CG 4.25Å; A220-Y385 HydrophobicContact CB-CD2 4.12Å; A220-Y385 HydrophobicContact CB-CE2 4.04Å; W227-Y385 VanDerWaalsContact C-OH 3.3Å; W227-Y385 VanDerWaalsContact CA-OH 3.31Å; W227-Y385 WeakPolarHBondContact CA-OH 3.48Å; L228-Y385 HydrophobicContact CB-CD1 4.49Å; L228-Y385 HydrophobicContact CB-CE1 3.68Å; L228-Y385 HydrophobicContact CB-CE2 3.92Å; L228-Y385 WeakPolarHBondContact CB-OH 3.42Å; L228-Y385 HydrophobicContact CD2-CD1 4Å; L228-Y385 HydrophobicContact CD2-CD2 4.43Å; L228-Y385 HydrophobicContact CD2-CE1 4.01Å; L228-Y385 HydrophobicContact CD2-CE2 4.44Å; L228-Y385 HydrophobicContact CD2-CG 4.23Å; L228-Y385 HydrophobicContact CG-CE1 4.45Å; L228-Y385 PolarHBondContact N-OH 2.69Å; N381-Y385 WeakPolarHBondContact O-CB 3.44Å; N381-Y385 PolarHBondContact O-N 3.48Å; L382-Y385 PolarHBondContact O-N 3.36Å; Y385-L387 VanDerWaalsContact C-N 3.29Å; Y385-L387 PolarHBondContact O-N 2.91Å; Y385-L388 PolarHBondContact O-N 2.91Å; Y385-A389 HydrophobicContact CD1-CB 4.4Å; Y385-A389 HydrophobicContact CD2-CB 4.12Å; Y385-A389 HydrophobicContact CE1-CB 4.03Å; Y385-A389 HydrophobicContact CE2-CB 3.71Å; Y385-A389 HydrophobicContact CG-CB 4.43Å; Y385-A389 WeakPolarHBondContact O-CA 3.33Å; Y385-A389 WeakPolarHBondContact O-CB 3.28Å; Y385-A389 PolarHBondContact O-N 2.76Å; Y385-F390 HydrophobicContact CE1-CE2 4.16Å
386	K	90.9	Very high	84.1	Confident	97 Å²	97	57.9 Å²	57.9	42%	0.422	31%	0.311	S	S	.	.	H	α-helix	trans	-56.4	-42.1	178.6	-74.9	172.3	179.3	176.2	0	112.3	L382 N383 F390	L382-K386 HydrophobicContact CG-CD 4.39Å; L382-K386 WeakPolarHBondContact O-CB 3.33Å; L382-K386 VanDerWaalsContact O-CG 3.32Å; L382-K386 WeakPolarHBondContact O-CG 3.24Å; L382-K386 PolarHBondContact O-N 2.78Å; N383-K386 PolarHBondContact O-N 2.75Å; K386-F390 WeakPolarHBondContact O-CA 3.46Å; K386-F390 WeakPolarHBondContact O-CB 3.29Å; K386-F390 PolarHBondContact O-N 3.13Å
387	L	89.4	Confident	83.7	Confident	58 Å²	58	66 Å²	66	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-47.2	178.5	-178.4	67.3	0	0	0	112.4	N383 I384 Y385 V424 V680	N383-L387 WeakPolarHBondContact O-CB 3.31Å; N383-L387 PolarHBondContact O-N 3Å; I384-L387 PolarHBondContact O-N 2.79Å; Y385-L387 VanDerWaalsContact C-N 3.29Å; Y385-L387 PolarHBondContact O-N 2.91Å; L387-V424 HydrophobicContact CD2-CG1 4.22Å; L387-V424 HydrophobicContact CD2-CG2 3.85Å; L387-V424 HydrophobicContact CG-CG2 4.35Å; L387-V680 HydrophobicContact CD2-CG1 3.65Å
388	L	87.3	Confident	83.5	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-75.4	-32.4	-178.2	-69.6	173.4	0	0	0	112.7	L221 I384 Y385 R423 V424 T676 V680	L221-L388 HydrophobicContact CD2-CD1 4.47Å; I384-L388 HydrophobicContact CG2-CD1 3.88Å; I384-L388 HydrophobicContact CG2-CG 4.49Å; I384-L388 WeakPolarHBondContact O-CG 3.29Å; I384-L388 PolarHBondContact O-N 3.03Å; Y385-L388 PolarHBondContact O-N 2.91Å; L388-R423 HydrophobicContact CD2-CB 4.17Å; L388-V424 HydrophobicContact CD2-CG2 3.77Å; L388-T676 HydrophobicContact CD1-CG2 3.48Å; L388-T676 VanDerWaalsContact CD1-CG2 3.48Å; L388-V680 HydrophobicContact CD1-CG2 4.08Å; L388-V680 HydrophobicContact CD2-CG2 4.08Å; L388-V680 HydrophobicContact CG-CG2 4.17Å
389	A	83.5	Confident	83.2	Confident	6 Å²	6	71.4 Å²	71.4	5%	0.05	37%	0.374	C	S	.	.	H	α-helix	trans	-83.9	-42.7	-174.9	0	0	0	0	0	110.7	R246 Y385 P391	R246-A389 PolarHBondContact NE-O 2.76Å; R246-A389 VanDerWaalsContact NE-O 3.13Å; R246-A389 VanDerWaalsContact NH1-C 3.3Å; R246-A389 VanDerWaalsContact NH1-CB 3.28Å; R246-A389 PolarHBondContact NH1-O 2.7Å; R246-A389 VanDerWaalsContact NH2-CB 3.25Å; R246-A389 PolarHBondContact NH2-O 3.37Å; R246-A389 VanDerWaalsContact NH2-O 3.08Å; Y385-A389 HydrophobicContact CD1-CB 4.4Å; Y385-A389 HydrophobicContact CD2-CB 4.12Å; Y385-A389 HydrophobicContact CE1-CB 4.03Å; Y385-A389 HydrophobicContact CE2-CB 3.71Å; Y385-A389 HydrophobicContact CG-CB 4.43Å; Y385-A389 WeakPolarHBondContact O-CA 3.33Å; Y385-A389 WeakPolarHBondContact O-CB 3.28Å; Y385-A389 PolarHBondContact O-N 2.76Å; A389-P391 WeakPolarHBondContact O-CD 3.48Å
390	F	81.6	Confident	83.2	Confident	88 Å²	88	69.6 Å²	69.6	39%	0.386	37%	0.366	S	S	.	.	S	Bend	trans	-115.7	61.9	-179.2	-52.5	-77.7	0	0	0	111.1	W227 R246 Y385 K386 K392	W227-F390 HydrophobicContact CD2-CZ 4.34Å; W227-F390 AromaticContact CE3-CE1 3.93Å; W227-F390 HydrophobicContact CE3-CE1 3.93Å; W227-F390 AromaticContact CE3-CZ 3.99Å; W227-F390 HydrophobicContact CE3-CZ 3.99Å; W227-F390 AromaticContact CH2-CE1 3.51Å; W227-F390 HydrophobicContact CH2-CE1 3.51Å; W227-F390 AromaticContact CH2-CZ 3.72Å; W227-F390 HydrophobicContact CH2-CZ 3.72Å; W227-F390 HydrophobicContact CZ2-CE1 4.31Å; W227-F390 HydrophobicContact CZ2-CZ 4.06Å; W227-F390 HydrophobicContact CZ3-CD1 4.49Å; W227-F390 AromaticContact CZ3-CE1 3.29Å; W227-F390 HydrophobicContact CZ3-CE1 3.29Å; W227-F390 AromaticContact CZ3-CZ 3.7Å; W227-F390 HydrophobicContact CZ3-CZ 3.7Å; R246-F390 VanDerWaalsContact NH1-CZ 3.3Å; Y385-F390 HydrophobicContact CE1-CE2 4.16Å; K386-F390 WeakPolarHBondContact O-CA 3.46Å; K386-F390 WeakPolarHBondContact O-CB 3.29Å; K386-F390 PolarHBondContact O-N 3.13Å; F390-K392 PolarHBondContact O-N 3.19Å; F390-K392 VanDerWaalsContact O-N 3.16Å
391	P	73.8	Confident	83.4	Confident	42 Å²	42	67.4 Å²	67.4	27%	0.273	36%	0.355	S	S	.	.			trans	-63.6	122.9	179.2	30.1	-36	0	0	0	108.6	A389 P393 A427 W452	A389-P391 WeakPolarHBondContact O-CD 3.48Å; P391-P393 VanDerWaalsContact O-CD 3.31Å; P391-P393 WeakPolarHBondContact O-CD 3.45Å; P391-A427 HydrophobicContact CB-CB 4.17Å; P391-W452 HydrophobicContact CB-CH2 3.81Å; P391-W452 HydrophobicContact CB-CZ3 4.17Å; P391-W452 HydrophobicContact CG-CH2 3.55Å; P391-W452 HydrophobicContact CG-CZ2 4.06Å; P391-W452 HydrophobicContact CG-CZ3 4.22Å
392	K	72.8	Confident	83.6	Confident	188 Å²	188	67.4 Å²	67.4	82%	0.817	36%	0.355	S	S	*	.			trans	-78.8	111.5	164.1	-67.4	-177.9	-178.8	179.3	0	106.1	F390 A394	F390-K392 PolarHBondContact O-N 3.19Å; F390-K392 VanDerWaalsContact O-N 3.16Å; K392-A394 PolarHBondContact O-N 3.31Å
393	P	67.5	Low	83.8	Confident	92 Å²	92	67 Å²	67	60%	0.597	35%	0.353	S	S	*	.			trans	-60.1	136.7	177.6	-16.5	30.1	0	0	0	108.9	P391 L395	P391-P393 VanDerWaalsContact O-CD 3.31Å; P391-P393 WeakPolarHBondContact O-CD 3.45Å; P393-L395 PolarHBondContact O-N 3.39Å
394	A	70.3	Confident	84	Confident	41 Å²	41	63.5 Å²	63.5	34%	0.339	33%	0.334	S	S	.	.			trans	-56.6	133.7	170	0	0	0	0	0	109.5	K392 T396 A427	K392-A394 PolarHBondContact O-N 3.31Å; A394-T396 PolarHBondContact O-N 3.3Å; A394-A427 PolarHBondContact N-O 3.23Å
395	L	64.4	Low	84.3	Confident	179 Å²	179	62.9 Å²	62.9	94%	0.937	33%	0.331	S	S	*	.	S	Bend	trans	-69.2	-23.3	178	-70	168	0	0	0	111.9	P393	P393-L395 PolarHBondContact O-N 3.39Å
396	T	70.4	Confident	84.5	Confident	111 Å²	111	62.2 Å²	62.2	68%	0.681	33%	0.328	S	S	*	.	S	Bend	trans	-138.6	139.5	179.1	52.1	0	0	0	0	109.2	A394	A394-T396 PolarHBondContact O-N 3.3Å
397	E	76.5	Confident	84.8	Confident	178 Å²	178	57.6 Å²	57.6	83%	0.832	31%	0.308	S	S	*	.			trans	-60.3	137.3	167.4	-68.8	-177	175.7	0	0	109.7
398	S	82.1	Confident	85.2	Confident	32 Å²	32	55 Å²	55	22%	0.224	30%	0.295	C	S	.	.			trans	-79.7	154.2	172.4	78.8	0	0	0	0	109.9	H400 G429 H430	S398-H400 PolarHBondContact O-N 3.45Å; S398-H400 VanDerWaalsContact O-N 3.09Å; S398-H400 PolarHBondContact OG-N 3.17Å; S398-G429 WeakPolarHBondContact CB-O 3.45Å; S398-G429 PolarHBondContact N-O 3.26Å; S398-G429 PolarHBondContact OG-O 2.77Å; S398-H430 VanDerWaalsContact OG-CA 3.3Å; S398-H430 WeakPolarHBondContact OG-CA 3.32Å; S398-H430 PolarHBondContact OG-N 3.3Å; S398-H430 PolarHBondContact OG-ND1 3.15Å
399	N	84.4	Confident	85.6	Confident	146 Å²	146	55.5 Å²	55.5	78%	0.781	30%	0.301	S	S	*	.	S	Bend	trans	-77.3	13.7	174.2	-66.9	-24.6	0	0	0	113.5
400	H	92.3	Very high	86.2	Confident	26 Å²	26	57 Å²	57	12%	0.12	31%	0.311	C	S	.	.			trans	-107.8	142.8	-175.3	-57	-60.3	0	0	0	111.2	S398 K431 T490 L690 F694	S398-H400 PolarHBondContact O-N 3.45Å; S398-H400 VanDerWaalsContact O-N 3.09Å; S398-H400 PolarHBondContact OG-N 3.17Å; H400-K431 PolarHBondContact O-N 2.94Å; H400-T490 WeakPolarHBondContact CA-OG1 3.42Å; H400-L690 HydrophobicContact CB-CD1 4.01Å; H400-F694 AromaticContact CE1-CD2 3.73Å
401	S	95.5	Very high	86.9	Confident	8 Å²	8	52.9 Å²	52.9	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.7	169.8	81	0	0	0	0	112.4	K431 R488 I489 T490 A491	S401-K431 CarbonylContact C-O 3.48Å; S401-K431 WeakPolarHBondContact CA-O 3.15Å; S401-R488 PolarHBondContact OG-O 3.2Å; S401-I489 VanDerWaalsContact OG-CA 3.26Å; S401-I489 WeakPolarHBondContact OG-CA 3.23Å; S401-T490 PolarHBondContact N-OG1 3.39Å; S401-T490 WeakPolarHBondContact O-CA 3.38Å; S401-T490 PolarHBondContact O-N 3.21Å; S401-T490 PolarHBondContact O-OG1 3.38Å; S401-A491 PolarHBondContact O-N 2.71Å; S401-A491 VanDerWaalsContact O-N 3.11Å
402	V	97.9	Very high	87.9	Confident	1 Å²	1	51 Å²	51	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.8	-177.4	-173.7	0	0	0	0	108.9	I404 H430 K431 V432 Y433 A491 I683 L686	V402-I404 HydrophobicContact CG1-CG1 4.36Å; V402-H430 HydrophobicContact CG2-CB 4.26Å; V402-K431 PolarHBondContact N-O 2.96Å; V402-V432 WeakPolarHBondContact O-CA 3.37Å; V402-Y433 PolarHBondContact O-N 2.82Å; V402-A491 WeakPolarHBondContact CA-O 3.47Å; V402-A491 HydrophobicContact CG1-CB 4.39Å; V402-A491 HydrophobicContact CG2-CB 4.25Å; V402-I683 HydrophobicContact CG1-CD1 4.13Å; V402-L686 HydrophobicContact CG1-CD1 4.36Å
403	A	98.4	Very high	89.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.2	171.6	0	0	0	0	0	110.8	Y433 V435 I489 A491 L492 L493	A403-Y433 CarbonylContact C-O 3.6Å; A403-Y433 WeakPolarHBondContact CA-O 3.45Å; A403-V435 HydrophobicContact CB-CG2 4.24Å; A403-I489 HydrophobicContact CB-CD1 3.74Å; A403-I489 HydrophobicContact CB-CG1 4.1Å; A403-I489 HydrophobicContact CB-CG2 3.68Å; A403-A491 PolarHBondContact N-O 3.41Å; A403-L492 HydrophobicContact CB-CD1 3.89Å; A403-L493 PolarHBondContact O-N 2.95Å
404	I	98.6	Very high	90.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.7	-179.4	-51.5	177.7	0	0	0	109	V402 V418 A421 V422 V432 Y433 V435 L466 L493 I495	V402-I404 HydrophobicContact CG1-CG1 4.36Å; I404-V418 HydrophobicContact CG2-CG1 4.37Å; I404-V418 HydrophobicContact CG2-CG2 4.18Å; I404-A421 HydrophobicContact CD1-CB 3.94Å; I404-V422 HydrophobicContact CD1-CG2 3.68Å; I404-V432 HydrophobicContact CD1-CG1 3.76Å; I404-V432 HydrophobicContact CG1-CG1 4.29Å; I404-Y433 PolarHBondContact N-O 3.4Å; I404-V435 PolarHBondContact O-N 3.48Å; I404-L466 HydrophobicContact CG2-CD1 4.38Å; I404-L493 WeakPolarHBondContact CA-O 2.85Å; I404-L493 HydrophobicContact CD1-CD2 4.36Å; I404-L493 HydrophobicContact CG1-CB 4.21Å; I404-L493 HydrophobicContact CG1-CD2 4.26Å; I404-L493 HydrophobicContact CG2-CD2 4.24Å; I404-L493 HydrophobicContact CG2-CG 4.43Å; I404-I495 HydrophobicContact CG2-CD1 4.08Å
405	L	98.2	Very high	91.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.2	-179.9	63.4	156.2	0	0	0	112.5	V407 V435 F439 L492 L493 V494 I495	L405-V407 HydrophobicContact CD1-CG2 3.69Å; L405-V407 HydrophobicContact CG-CG2 4.21Å; L405-V435 HydrophobicContact CB-CB 3.94Å; L405-V435 HydrophobicContact CB-CG2 4.4Å; L405-F439 HydrophobicContact CD1-CD1 3.67Å; L405-F439 HydrophobicContact CD1-CE1 3.77Å; L405-F439 HydrophobicContact CD1-CG 4.16Å; L405-F439 HydrophobicContact CD1-CZ 4.35Å; L405-L492 HydrophobicContact CD2-CD1 3.32Å; L405-L492 HydrophobicContact CD2-CD2 4.38Å; L405-L492 HydrophobicContact CD2-CG 3.81Å; L405-L493 PolarHBondContact N-O 3.37Å; L405-V494 HydrophobicContact CD1-CG2 4.36Å; L405-V494 HydrophobicContact CD2-CG2 3.8Å; L405-V494 HydrophobicContact CG-CG2 4.03Å; L405-I495 PolarHBondContact O-N 2.98Å
406	N	98.4	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.4	173	-66.9	-8.3	0	0	0	110.5	G438 S464 T468 I495	N406-G438 WeakPolarHBondContact O-CA 3.09Å; N406-S464 WeakPolarHBondContact CB-OG 3.43Å; N406-S464 PolarHBondContact ND2-OG 2.96Å; N406-T468 PolarHBondContact O-OG1 3.14Å; N406-I495 CarbonylContact C-O 3.52Å; N406-I495 VanDerWaalsContact CA-O 3.22Å; N406-I495 WeakPolarHBondContact CA-O 3.15Å; N406-I495 WeakPolarHBondContact OD1-CB 3.22Å
407	V	98.1	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.4	-175.6	-177	0	0	0	0	111.3	L405 F439 T468 V494 I495 G496 G497 E499	L405-V407 HydrophobicContact CD1-CG2 3.69Å; L405-V407 HydrophobicContact CG-CG2 4.21Å; V407-F439 HydrophobicContact CB-CE2 4.31Å; V407-F439 HydrophobicContact CG1-CD2 3.93Å; V407-F439 HydrophobicContact CG1-CE2 3.81Å; V407-F439 HydrophobicContact CG2-CD2 3.84Å; V407-F439 HydrophobicContact CG2-CE2 3.71Å; V407-F439 HydrophobicContact CG2-CG 4.47Å; V407-F439 HydrophobicContact CG2-CZ 4.21Å; V407-T468 VanDerWaalsContact C-OG1 3.3Å; V407-T468 WeakPolarHBondContact CA-OG1 3.5Å; V407-T468 PolarHBondContact N-OG1 2.96Å; V407-V494 HydrophobicContact CB-CG1 4.08Å; V407-V494 HydrophobicContact CG2-CG1 3.77Å; V407-I495 PolarHBondContact N-O 2.72Å; V407-G496 CarbonylContact O-C 3.56Å; V407-G496 WeakPolarHBondContact O-CA 3.32Å; V407-G497 PolarHBondContact O-N 2.76Å; V407-G497 VanDerWaalsContact O-N 3.13Å; V407-E499 HydrophobicContact CG1-CB 3.88Å
408	G	96.3	Very high	95.7	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.021	8%	0.082	C	C	.	.	S	Bend	trans	101.1	-154.3	-178.7	0	0	0	0	0	112.9	T468 K469	G408-T468 PolarHBondContact N-OG1 2.83Å; G408-T468 WeakPolarHBondContact O-CG2 3.45Å; G408-T468 PolarHBondContact O-OG1 3.35Å; G408-K469 PolarHBondContact N-O 3.47Å
409	A	95.7	Very high	96.4	Very high	25 Å²	25	12.6 Å²	12.6	21%	0.207	7%	0.074	C	C	.	.	S	Bend	trans	-79.2	149.2	174.6	0	0	0	0	0	111	M414	A409-M414 VanDerWaalsContact O-CE 3.24Å; A409-M414 WeakPolarHBondContact O-CE 3.42Å
410	P	96.1	Very high	97	Very high	38 Å²	38	5.6 Å²	5.6	25%	0.247	4%	0.036	C	C	.	.			trans	-62.8	144.6	175.7	26.6	-34.1	0	0	0	111.5	T468	P410-T468 HydrophobicContact CB-CG2 4.29Å
411	A	96.4	Very high	97.2	Very high	2 Å²	2	4.4 Å²	4.4	2%	0.017	3%	0.031	C	C	.	.			trans	-144.2	149.4	180	0	0	0	0	0	110.7	M414 L539	A411-M414 HydrophobicContact CB-CE 3.98Å; A411-M414 HydrophobicContact CB-CG 4.35Å; A411-M414 HydrophobicContact CB-SD 4.36Å; A411-M414 PolarHBondContact N-SD 2.83Å; A411-M414 WeakPolarHBondContact O-CG 3.31Å; A411-M414 PolarHBondContact O-N 2.84Å; A411-L539 WeakPolarHBondContact CB-O 3.24Å
412	G	96.2	Very high	97.3	Very high	3 Å²	3	4 Å²	4	3%	0.031	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	139	174.3	0	0	0	0	0	111.8	M414 L539 G540	G412-M414 PolarHBondContact O-N 2.89Å; G412-L539 CarbonylContact O-C 3.58Å; G412-G540 VanDerWaalsContact O-CA 3.22Å; G412-G540 WeakPolarHBondContact O-CA 3.39Å; G412-G540 PolarHBondContact O-N 3.09Å
413	G	96.5	Very high	97.1	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.01	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-11.4	177.1	0	0	0	0	0	115.8	N415 A416 A417	G413-N415 PolarHBondContact O-N 3.49Å; G413-A416 WeakPolarHBondContact O-CB 3.42Å; G413-A416 PolarHBondContact O-N 3.4Å; G413-A416 VanDerWaalsContact O-N 3.15Å; G413-A417 PolarHBondContact O-N 3.45Å
414	M	97.7	Very high	96.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-54.9	-49.3	174.6	-74.2	-177.3	163.7	0	0	111.9	A409 A411 G412 A416 A417 V418 I495 A526	A409-M414 VanDerWaalsContact O-CE 3.24Å; A409-M414 WeakPolarHBondContact O-CE 3.42Å; A411-M414 HydrophobicContact CB-CE 3.98Å; A411-M414 HydrophobicContact CB-CG 4.35Å; A411-M414 HydrophobicContact CB-SD 4.36Å; A411-M414 PolarHBondContact N-SD 2.83Å; A411-M414 WeakPolarHBondContact O-CG 3.31Å; A411-M414 PolarHBondContact O-N 2.84Å; G412-M414 PolarHBondContact O-N 2.89Å; M414-A416 VanDerWaalsContact C-N 3.3Å; M414-A416 PolarHBondContact O-N 3.46Å; M414-A417 PolarHBondContact O-N 3.3Å; M414-V418 WeakPolarHBondContact O-CG2 3.35Å; M414-V418 PolarHBondContact O-N 2.8Å; M414-I495 HydrophobicContact CB-CG2 4.32Å; M414-I495 HydrophobicContact CG-CG2 4.01Å; M414-A526 HydrophobicContact CE-CB 3.48Å; M414-A526 VanDerWaalsContact CE-CB 3.48Å; M414-A526 HydrophobicContact CG-CB 3.79Å
415	N	97.8	Very high	96.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.7	-32.1	179.8	-61.6	-38.5	0	0	0	112.7	G413 R419 W458 Q461 G462 G463 L465	G413-N415 PolarHBondContact O-N 3.49Å; N415-R419 VanDerWaalsContact O-CB 3.29Å; N415-R419 WeakPolarHBondContact O-CB 3.4Å; N415-R419 PolarHBondContact O-N 3.08Å; N415-W458 HydrophobicContact CB-CB 4.17Å; N415-W458 HydrophobicContact CB-CE3 4.27Å; N415-W458 VanDerWaalsContact CB-O 3.28Å; N415-W458 WeakPolarHBondContact CB-O 3.28Å; N415-Q461 PolarHBondContact ND2-O 3.31Å; N415-G462 PolarHBondContact ND2-O 2.9Å; N415-G463 PolarHBondContact ND2-O 3.21Å; N415-L465 HydrophobicContact CB-CD1 4.29Å; N415-L465 PolarHBondContact OD1-N 3Å
416	A	97.3	Very high	96.4	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-67	-40.8	174.8	0	0	0	0	0	111.5	G413 M414 R419 S420 T459	G413-A416 WeakPolarHBondContact O-CB 3.42Å; G413-A416 PolarHBondContact O-N 3.4Å; G413-A416 VanDerWaalsContact O-N 3.15Å; M414-A416 VanDerWaalsContact C-N 3.3Å; M414-A416 PolarHBondContact O-N 3.46Å; A416-R419 PolarHBondContact O-N 2.81Å; A416-S420 PolarHBondContact O-N 2.92Å; A416-S420 PolarHBondContact O-OG 3.49Å; A416-T459 HydrophobicContact CB-CG2 4.12Å
417	A	97.9	Very high	96	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.8	-44.8	174.4	0	0	0	0	0	112.5	G413 M414 R419 S420 A421 I495 I524 L539 G675	G413-A417 PolarHBondContact O-N 3.45Å; M414-A417 PolarHBondContact O-N 3.3Å; A417-R419 VanDerWaalsContact C-N 3.34Å; A417-R419 PolarHBondContact O-N 2.93Å; A417-S420 PolarHBondContact O-N 2.83Å; A417-S420 PolarHBondContact O-OG 3.41Å; A417-A421 VanDerWaalsContact O-CB 3.23Å; A417-A421 WeakPolarHBondContact O-CB 3.39Å; A417-A421 PolarHBondContact O-N 3.27Å; A417-I495 HydrophobicContact CB-CD1 3.9Å; A417-I524 HydrophobicContact CB-CD1 4.37Å; A417-L539 HydrophobicContact CB-CD1 3.87Å; A417-G675 WeakPolarHBondContact CA-O 3.39Å; A417-G675 WeakPolarHBondContact CB-O 3.36Å
418	V	98.3	Very high	95.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.2	-48.6	173.6	176.6	0	0	0	0	110.1	I404 M414 S420 A421 V422 M450 V455 W458 L466 I495	I404-V418 HydrophobicContact CG2-CG1 4.37Å; I404-V418 HydrophobicContact CG2-CG2 4.18Å; M414-V418 WeakPolarHBondContact O-CG2 3.35Å; M414-V418 PolarHBondContact O-N 2.8Å; V418-S420 PolarHBondContact O-N 2.99Å; V418-A421 PolarHBondContact O-N 2.99Å; V418-V422 HydrophobicContact CG1-CG2 4Å; V418-V422 WeakPolarHBondContact O-CB 3.32Å; V418-V422 VanDerWaalsContact O-CG2 3.24Å; V418-V422 WeakPolarHBondContact O-CG2 3.12Å; V418-V422 PolarHBondContact O-N 2.78Å; V418-M450 HydrophobicContact CG1-CE 4.15Å; V418-V455 HydrophobicContact CG1-CG1 4.35Å; V418-W458 HydrophobicContact CB-CE3 4.21Å; V418-W458 HydrophobicContact CB-CZ3 4.13Å; V418-W458 HydrophobicContact CG1-CE3 4.03Å; V418-W458 HydrophobicContact CG1-CZ3 3.62Å; V418-L466 HydrophobicContact CG1-CD1 4.08Å; V418-L466 HydrophobicContact CG2-CD1 3.9Å; V418-I495 HydrophobicContact CB-CD1 4.37Å; V418-I495 HydrophobicContact CG2-CD1 3.48Å; V418-I495 VanDerWaalsContact CG2-CD1 3.48Å
419	R	96.8	Very high	95.4	Very high	11 Å²	11	12.8 Å²	12.8	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-58.1	-48.9	-178.3	175.4	-176.3	169.1	-84.7	9.5	112.7	N415 A416 A417 R423 V455 W458 T459	N415-R419 VanDerWaalsContact O-CB 3.29Å; N415-R419 WeakPolarHBondContact O-CB 3.4Å; N415-R419 PolarHBondContact O-N 3.08Å; A416-R419 PolarHBondContact O-N 2.81Å; A417-R419 VanDerWaalsContact C-N 3.34Å; A417-R419 PolarHBondContact O-N 2.93Å; R419-R423 WeakPolarHBondContact O-CB 3.33Å; R419-R423 WeakPolarHBondContact O-CG 3.37Å; R419-R423 PolarHBondContact O-N 2.83Å; R419-R423 VanDerWaalsContact O-N 3.13Å; R419-V455 HydrophobicContact CB-CB 4.01Å; R419-V455 HydrophobicContact CB-CG2 4.34Å; R419-V455 WeakPolarHBondContact CD-O 3.2Å; R419-V455 HydrophobicContact CG-CB 4.02Å; R419-V455 HydrophobicContact CG-CG2 3.94Å; R419-V455 WeakPolarHBondContact CG-O 3.23Å; R419-W458 HydrophobicContact CB-CB 4.12Å; R419-T459 WeakPolarHBondContact CD-OG1 3.32Å; R419-T459 PolarHBondContact NE-OG1 2.64Å
420	S	96.2	Very high	95.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-69.4	-38.5	-178.2	64	0	0	0	0	111.4	A416 A417 V418 R423 V424 T676 G679	A416-S420 PolarHBondContact O-N 2.92Å; A416-S420 PolarHBondContact O-OG 3.49Å; A417-S420 PolarHBondContact O-N 2.83Å; A417-S420 PolarHBondContact O-OG 3.41Å; V418-S420 PolarHBondContact O-N 2.99Å; S420-R423 PolarHBondContact O-N 2.97Å; S420-V424 WeakPolarHBondContact O-CG2 3.3Å; S420-V424 PolarHBondContact O-N 3.3Å; S420-T676 VanDerWaalsContact CB-O 3.25Å; S420-T676 WeakPolarHBondContact CB-O 3.32Å; S420-T676 WeakPolarHBondContact OG-CA 3.32Å; S420-T676 PolarHBondContact OG-O 2.75Å; S420-G679 VanDerWaalsContact OG-CA 3.31Å; S420-G679 WeakPolarHBondContact OG-CA 3.48Å
421	A	97.5	Very high	95.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.3	-52	174.7	0	0	0	0	0	111.9	I404 A417 V418 R423 V424 A425 L493 I683	I404-A421 HydrophobicContact CD1-CB 3.94Å; A417-A421 VanDerWaalsContact O-CB 3.23Å; A417-A421 WeakPolarHBondContact O-CB 3.39Å; A417-A421 PolarHBondContact O-N 3.27Å; V418-A421 PolarHBondContact O-N 2.99Å; A421-R423 VanDerWaalsContact C-N 3.34Å; A421-R423 PolarHBondContact O-N 3.45Å; A421-V424 PolarHBondContact O-N 2.89Å; A421-A425 VanDerWaalsContact O-CB 3.29Å; A421-A425 WeakPolarHBondContact O-CB 3.23Å; A421-A425 PolarHBondContact O-N 2.97Å; A421-L493 HydrophobicContact CB-CD2 3.56Å; A421-I683 HydrophobicContact CB-CD1 4.07Å; A421-I683 HydrophobicContact CB-CG1 3.66Å; A421-I683 WeakPolarHBondContact O-CG1 3.3Å
422	V	96.3	Very high	95.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56	-48.9	178.2	171.5	0	0	0	0	111	I404 V418 V424 A425 L426 V432 M450 V455	I404-V422 HydrophobicContact CD1-CG2 3.68Å; V418-V422 HydrophobicContact CG1-CG2 4Å; V418-V422 WeakPolarHBondContact O-CB 3.32Å; V418-V422 VanDerWaalsContact O-CG2 3.24Å; V418-V422 WeakPolarHBondContact O-CG2 3.12Å; V418-V422 PolarHBondContact O-N 2.78Å; V422-V424 PolarHBondContact O-N 3.14Å; V422-A425 PolarHBondContact O-N 2.89Å; V422-L426 HydrophobicContact CG1-CD1 3.79Å; V422-L426 HydrophobicContact CG1-CG 4.39Å; V422-L426 WeakPolarHBondContact O-CB 3.33Å; V422-L426 VanDerWaalsContact O-CG 3.25Å; V422-L426 WeakPolarHBondContact O-CG 3.48Å; V422-L426 PolarHBondContact O-N 2.69Å; V422-V432 HydrophobicContact CG1-CG1 4.49Å; V422-V432 HydrophobicContact CG2-CG1 4.01Å; V422-M450 HydrophobicContact CG1-CB 4.06Å; V422-M450 HydrophobicContact CG2-CB 4.42Å; V422-M450 HydrophobicContact CG2-CE 3.88Å; V422-M450 HydrophobicContact CG2-SD 3.53Å; V422-M450 VanDerWaalsContact CG2-SD 3.53Å; V422-V455 HydrophobicContact CB-CG1 4.08Å; V422-V455 HydrophobicContact CB-CG2 4.23Å; V422-V455 HydrophobicContact CG1-CG1 4.16Å; V422-V455 HydrophobicContact CG1-CG2 4.07Å; V422-V455 HydrophobicContact CG2-CG1 3.93Å
423	R	93.5	Very high	95.4	Very high	33 Å²	33	15.1 Å²	15.1	13%	0.125	8%	0.076	C	C	.	.	H	α-helix	trans	-64.2	-41.1	-177.7	-74.5	-177.2	175.6	-157.2	-0.7	113.1	L388 R419 S420 A421 A427 W452 V455	L388-R423 HydrophobicContact CD2-CB 4.17Å; R419-R423 WeakPolarHBondContact O-CB 3.33Å; R419-R423 WeakPolarHBondContact O-CG 3.37Å; R419-R423 PolarHBondContact O-N 2.83Å; R419-R423 VanDerWaalsContact O-N 3.13Å; S420-R423 PolarHBondContact O-N 2.97Å; A421-R423 VanDerWaalsContact C-N 3.34Å; A421-R423 PolarHBondContact O-N 3.45Å; R423-A427 WeakPolarHBondContact O-CB 3.1Å; R423-A427 PolarHBondContact O-N 2.95Å; R423-W452 HydrophobicContact CB-CE3 4.22Å; R423-W452 HydrophobicContact CB-CH2 3.88Å; R423-W452 HydrophobicContact CB-CZ3 3.74Å; R423-W452 HydrophobicContact CG-CD2 4.11Å; R423-W452 HydrophobicContact CG-CE3 3.98Å; R423-W452 HydrophobicContact CG-CH2 3.96Å; R423-W452 HydrophobicContact CG-CZ2 4.11Å; R423-W452 HydrophobicContact CG-CZ3 3.91Å; R423-W452 WeakPolarHBondContact O-CZ3 3.29Å; R423-V455 HydrophobicContact CG-CG2 4.18Å
424	V	94.3	Very high	95.5	Very high	3 Å²	3	15 Å²	15	2%	0.018	8%	0.076	C	C	.	.	H	α-helix	trans	-70.5	-42.2	178.3	174.9	0	0	0	0	110.8	L387 L388 S420 A421 V422 L426 A427 L428 V680 I683	L387-V424 HydrophobicContact CD2-CG1 4.22Å; L387-V424 HydrophobicContact CD2-CG2 3.85Å; L387-V424 HydrophobicContact CG-CG2 4.35Å; L388-V424 HydrophobicContact CD2-CG2 3.77Å; S420-V424 WeakPolarHBondContact O-CG2 3.3Å; S420-V424 PolarHBondContact O-N 3.3Å; A421-V424 PolarHBondContact O-N 2.89Å; V422-V424 PolarHBondContact O-N 3.14Å; V424-L426 PolarHBondContact O-N 2.93Å; V424-A427 WeakPolarHBondContact O-CB 3.31Å; V424-A427 PolarHBondContact O-N 3.48Å; V424-A427 VanDerWaalsContact O-N 3.14Å; V424-L428 HydrophobicContact CG1-CD1 4.04Å; V424-L428 HydrophobicContact CG1-CG 4.44Å; V424-L428 WeakPolarHBondContact O-CG 3.47Å; V424-L428 PolarHBondContact O-N 3.18Å; V424-V680 HydrophobicContact CG2-CB 4.27Å; V424-V680 HydrophobicContact CG2-CG1 4.16Å; V424-V680 HydrophobicContact CG2-CG2 3.68Å; V424-I683 HydrophobicContact CB-CB 4.4Å; V424-I683 HydrophobicContact CB-CG2 4.21Å; V424-I683 HydrophobicContact CG1-CB 4.12Å; V424-I683 HydrophobicContact CG1-CG2 3.73Å
425	A	94.5	Very high	95.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-44.5	178.8	0	0	0	0	0	111.4	A421 V422 A427 L428 G429 H430 V432 I683	A421-A425 VanDerWaalsContact O-CB 3.29Å; A421-A425 WeakPolarHBondContact O-CB 3.23Å; A421-A425 PolarHBondContact O-N 2.97Å; V422-A425 PolarHBondContact O-N 2.89Å; A425-A427 PolarHBondContact O-N 2.95Å; A425-L428 CarbonylContact O-C 3.49Å; A425-L428 PolarHBondContact O-N 3.04Å; A425-G429 PolarHBondContact O-N 3.39Å; A425-H430 HydrophobicContact CB-CB 4.25Å; A425-H430 WeakPolarHBondContact O-CB 3.25Å; A425-H430 PolarHBondContact O-N 2.98Å; A425-V432 HydrophobicContact CB-CG2 3.49Å; A425-V432 VanDerWaalsContact CB-CG2 3.49Å; A425-I683 HydrophobicContact CB-CD1 4.17Å; A425-I683 HydrophobicContact CB-CG1 4.38Å; A425-I683 HydrophobicContact CB-CG2 3.93Å
426	L	92.2	Very high	95.5	Very high	46 Å²	46	18.6 Å²	18.6	24%	0.241	9%	0.092	C	C	.	.	H	α-helix	trans	-63.4	-38.8	173.6	-68.7	172.5	0	0	0	112.5	V422 V424 L428 G429 V432 W452	V422-L426 HydrophobicContact CG1-CD1 3.79Å; V422-L426 HydrophobicContact CG1-CG 4.39Å; V422-L426 WeakPolarHBondContact O-CB 3.33Å; V422-L426 VanDerWaalsContact O-CG 3.25Å; V422-L426 WeakPolarHBondContact O-CG 3.48Å; V422-L426 PolarHBondContact O-N 2.69Å; V424-L426 PolarHBondContact O-N 2.93Å; L426-L428 VanDerWaalsContact C-N 3.26Å; L426-L428 PolarHBondContact O-N 3.27Å; L426-G429 PolarHBondContact O-N 2.97Å; L426-V432 HydrophobicContact CD2-CB 4.5Å; L426-V432 HydrophobicContact CD2-CG2 3.95Å; L426-V432 HydrophobicContact CG-CG2 3.98Å; L426-W452 HydrophobicContact CD1-CB 4.39Å
427	A	90.2	Very high	95.5	Very high	15 Å²	15	20.9 Å²	20.9	12%	0.124	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-31.6	176.7	0	0	0	0	0	112.5	P391 A394 R423 V424 A425 G429	P391-A427 HydrophobicContact CB-CB 4.17Å; A394-A427 PolarHBondContact N-O 3.23Å; R423-A427 WeakPolarHBondContact O-CB 3.1Å; R423-A427 PolarHBondContact O-N 2.95Å; V424-A427 WeakPolarHBondContact O-CB 3.31Å; V424-A427 PolarHBondContact O-N 3.48Å; V424-A427 VanDerWaalsContact O-N 3.14Å; A425-A427 PolarHBondContact O-N 2.95Å; A427-G429 PolarHBondContact O-N 3.37Å
428	L	90.6	Very high	95.4	Very high	80 Å²	80	20.9 Å²	20.9	42%	0.419	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.7	173	-64.3	173.8	0	0	0	113.4	V424 A425 L426 I683 S687	V424-L428 HydrophobicContact CG1-CD1 4.04Å; V424-L428 HydrophobicContact CG1-CG 4.44Å; V424-L428 WeakPolarHBondContact O-CG 3.47Å; V424-L428 PolarHBondContact O-N 3.18Å; A425-L428 CarbonylContact O-C 3.49Å; A425-L428 PolarHBondContact O-N 3.04Å; L426-L428 VanDerWaalsContact C-N 3.26Å; L426-L428 PolarHBondContact O-N 3.27Å; L428-I683 HydrophobicContact CD1-CG2 3.98Å; L428-S687 VanDerWaalsContact CD1-OG 3.25Å; L428-S687 WeakPolarHBondContact CD1-OG 3.46Å
429	G	91.6	Very high	95.4	Very high	11 Å²	11	21 Å²	21	11%	0.113	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	13.8	179.7	0	0	0	0	0	114.1	S398 A425 L426 A427	S398-G429 WeakPolarHBondContact CB-O 3.45Å; S398-G429 PolarHBondContact N-O 3.26Å; S398-G429 PolarHBondContact OG-O 2.77Å; A425-G429 PolarHBondContact O-N 3.39Å; L426-G429 PolarHBondContact O-N 2.97Å; A427-G429 PolarHBondContact O-N 3.37Å
430	H	93.9	Very high	95.4	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.065	11%	0.113	C	C	.	.			trans	-75.5	143.7	174.5	-58	-36.8	0	0	0	111.2	S398 V402 A425 S687	S398-H430 VanDerWaalsContact OG-CA 3.3Å; S398-H430 WeakPolarHBondContact OG-CA 3.32Å; S398-H430 PolarHBondContact OG-N 3.3Å; S398-H430 PolarHBondContact OG-ND1 3.15Å; V402-H430 HydrophobicContact CG2-CB 4.26Å; A425-H430 HydrophobicContact CB-CB 4.25Å; A425-H430 WeakPolarHBondContact O-CB 3.25Å; A425-H430 PolarHBondContact O-N 2.98Å; H430-S687 PolarHBondContact CD2-OG 3.25Å; H430-S687 PolarHBondContact NE2-OG 2.87Å
431	K	95.7	Very high	95.4	Very high	79 Å²	79	22.7 Å²	22.7	34%	0.343	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131	166.3	-173.3	168.6	-169.8	173.1	0	109.2	H400 S401 V402 Y433 E449	H400-K431 PolarHBondContact O-N 2.94Å; S401-K431 CarbonylContact C-O 3.48Å; S401-K431 WeakPolarHBondContact CA-O 3.15Å; V402-K431 PolarHBondContact N-O 2.96Å; K431-Y433 HydrophobicContact CD-CE1 4.39Å; K431-Y433 HydrophobicContact CD-CE2 4.23Å; K431-Y433 WeakPolarHBondContact CD-OH 3.49Å; K431-Y433 VanDerWaalsContact CE-CZ 3.48Å; K431-Y433 WeakPolarHBondContact CE-OH 3.3Å; K431-Y433 HydrophobicContact CG-CE2 4.3Å; K431-Y433 PolarHBondContact NZ-OH 3.3Å; K431-E449 WeakPolarHBondContact CE-OE1 3.5Å; K431-E449 WeakPolarHBondContact CE-OE2 3.42Å; K431-E449 IonicContact NZ-OE1 3.36Å; K431-E449 IonicContact NZ-OE2 3.59Å; K431-E449 PolarHBondContact NZ-OE2 2.92Å
432	V	97.3	Very high	95.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.4	-174.8	-170.6	0	0	0	0	110.5	V402 I404 V422 A425 L426 M450	V402-V432 WeakPolarHBondContact O-CA 3.37Å; I404-V432 HydrophobicContact CD1-CG1 3.76Å; I404-V432 HydrophobicContact CG1-CG1 4.29Å; V422-V432 HydrophobicContact CG1-CG1 4.49Å; V422-V432 HydrophobicContact CG2-CG1 4.01Å; A425-V432 HydrophobicContact CB-CG2 3.49Å; A425-V432 VanDerWaalsContact CB-CG2 3.49Å; L426-V432 HydrophobicContact CD2-CB 4.5Å; L426-V432 HydrophobicContact CD2-CG2 3.95Å; L426-V432 HydrophobicContact CG-CG2 3.98Å; V432-M450 HydrophobicContact CB-CB 4.32Å; V432-M450 HydrophobicContact CG1-CB 4.2Å; V432-M450 HydrophobicContact CG1-SD 4.49Å; V432-M450 PolarHBondContact O-N 2.76Å
433	Y	98.4	Very high	95.5	Very high	22 Å²	22	23 Å²	23	9%	0.086	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.4	174.8	-65	-66.5	0	0	0	110.9	V402 A403 I404 K431 I447 F448 E449 F487 I489	V402-Y433 PolarHBondContact O-N 2.82Å; A403-Y433 CarbonylContact C-O 3.6Å; A403-Y433 WeakPolarHBondContact CA-O 3.45Å; I404-Y433 PolarHBondContact N-O 3.4Å; K431-Y433 HydrophobicContact CD-CE1 4.39Å; K431-Y433 HydrophobicContact CD-CE2 4.23Å; K431-Y433 WeakPolarHBondContact CD-OH 3.49Å; K431-Y433 VanDerWaalsContact CE-CZ 3.48Å; K431-Y433 WeakPolarHBondContact CE-OH 3.3Å; K431-Y433 HydrophobicContact CG-CE2 4.3Å; K431-Y433 PolarHBondContact NZ-OH 3.3Å; Y433-I447 HydrophobicContact CD1-CG2 3.88Å; Y433-I447 HydrophobicContact CG-CG2 3.9Å; Y433-F448 CarbonylContact C-O 3.38Å; Y433-F448 VanDerWaalsContact CA-O 3.3Å; Y433-F448 WeakPolarHBondContact CA-O 3.45Å; Y433-E449 HydrophobicContact CD1-CB 4.44Å; Y433-E449 HydrophobicContact CE1-CB 4.42Å; Y433-F487 HydrophobicContact CE1-CD1 4.26Å; Y433-F487 HydrophobicContact CE2-CB 4.35Å; Y433-F487 WeakPolarHBondContact CE2-O 3.38Å; Y433-F487 PolarHBondContact OH-O 3.48Å; Y433-I489 HydrophobicContact CD2-CG1 4.33Å
434	G	98.1	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138.5	165.9	0	0	0	0	0	109.1	I447 F448 M450	G434-I447 WeakPolarHBondContact O-CA 3.48Å; G434-F448 PolarHBondContact N-O 3.07Å; G434-F448 WeakPolarHBondContact O-CD1 3.47Å; G434-F448 WeakPolarHBondContact O-CE1 3.47Å; G434-F448 PolarHBondContact O-N 2.73Å; G434-M450 VanDerWaalsContact CA-SD 3.53Å
435	V	98.2	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.7	177.1	-170.6	0	0	0	0	109.2	A403 I404 L405 L442 I447	A403-V435 HydrophobicContact CB-CG2 4.24Å; I404-V435 PolarHBondContact O-N 3.48Å; L405-V435 HydrophobicContact CB-CB 3.94Å; L405-V435 HydrophobicContact CB-CG2 4.4Å; V435-L442 HydrophobicContact CG1-CB 3.87Å; V435-L442 HydrophobicContact CG1-CD1 4.38Å; V435-L442 VanDerWaalsContact CG1-N 3.35Å; V435-L442 HydrophobicContact CG2-CD1 4.26Å; V435-I447 HydrophobicContact CG1-CG1 4.29Å; V435-I447 HydrophobicContact CG2-CG1 4.28Å
436	H	97.5	Very high	95.9	Very high	75 Å²	75	30.4 Å²	30.4	35%	0.347	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	148	175.5	-75.6	-59.5	0	0	0	111.9	G438 G441 L446 F448 L466	H436-G438 PolarHBondContact O-N 3.42Å; H436-G438 VanDerWaalsContact O-N 3.08Å; H436-G441 WeakPolarHBondContact O-CA 3.36Å; H436-L446 HydrophobicContact CB-CB 4.08Å; H436-L446 PolarHBondContact N-O 2.86Å; H436-F448 AromaticContact CD2-CD1 3.63Å; H436-F448 AromaticContact CD2-CE1 3.56Å; H436-F448 AromaticContact CE1-CE1 3.58Å; H436-F448 AromaticContact NE2-CD1 3.54Å; H436-F448 AromaticContact NE2-CE1 3.23Å; H436-F448 WeakPolarHBondContact NE2-CE1 3.27Å; H436-F448 AromaticContact NE2-CZ 3.98Å; H436-L466 WeakPolarHBondContact CA-O 3.45Å; H436-L466 PolarHBondContact ND1-O 3.49Å
437	D	96.1	Very high	96.1	Very high	48 Å²	48	29.2 Å²	29.2	26%	0.257	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	29.9	168.4	-68.6	-15	0	0	0	116.3	L466 K469	D437-L466 PolarHBondContact N-O 3.46Å; D437-K469 HydrophobicContact CB-CD 3.96Å; D437-K469 HydrophobicContact CB-CG 4.2Å; D437-K469 WeakPolarHBondContact OD2-CE 3.45Å; D437-K469 IonicContact OD2-NZ 3.39Å; D437-K469 PolarHBondContact OD2-NZ 2.89Å
438	G	96.4	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	66.9	-143.4	172.2	0	0	0	0	0	114.1	N406 H436 E440 G441 L442	N406-G438 WeakPolarHBondContact O-CA 3.09Å; H436-G438 PolarHBondContact O-N 3.42Å; H436-G438 VanDerWaalsContact O-N 3.08Å; G438-E440 PolarHBondContact O-N 3.12Å; G438-G441 PolarHBondContact O-N 2.65Å; G438-L442 PolarHBondContact O-N 2.64Å
439	F	98	Very high	96.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-29	-177.8	-65.6	-61.6	0	0	0	113.5	L405 V407 L442 A443 T471 P473 I480 L492 V494 L507	L405-F439 HydrophobicContact CD1-CD1 3.67Å; L405-F439 HydrophobicContact CD1-CE1 3.77Å; L405-F439 HydrophobicContact CD1-CG 4.16Å; L405-F439 HydrophobicContact CD1-CZ 4.35Å; V407-F439 HydrophobicContact CB-CE2 4.31Å; V407-F439 HydrophobicContact CG1-CD2 3.93Å; V407-F439 HydrophobicContact CG1-CE2 3.81Å; V407-F439 HydrophobicContact CG2-CD2 3.84Å; V407-F439 HydrophobicContact CG2-CE2 3.71Å; V407-F439 HydrophobicContact CG2-CG 4.47Å; V407-F439 HydrophobicContact CG2-CZ 4.21Å; F439-L442 WeakPolarHBondContact O-CB 3.38Å; F439-L442 PolarHBondContact O-N 3.19Å; F439-A443 PolarHBondContact O-N 3.29Å; F439-T471 WeakPolarHBondContact CD2-O 3.46Å; F439-P473 HydrophobicContact CB-CB 4.36Å; F439-P473 HydrophobicContact CD1-CB 4.1Å; F439-P473 HydrophobicContact CD1-CG 4.4Å; F439-P473 HydrophobicContact CD2-CG 4.34Å; F439-P473 HydrophobicContact CE1-CG 4.46Å; F439-P473 HydrophobicContact CE2-CG 4.37Å; F439-P473 HydrophobicContact CG-CB 4.1Å; F439-P473 HydrophobicContact CG-CG 4.35Å; F439-P473 HydrophobicContact CZ-CG 4.43Å; F439-I480 HydrophobicContact CB-CD1 4.31Å; F439-L492 HydrophobicContact CE1-CD2 4.49Å; F439-V494 HydrophobicContact CE1-CG2 4.27Å; F439-V494 HydrophobicContact CZ-CG1 4.39Å; F439-V494 HydrophobicContact CZ-CG2 4.07Å; F439-L507 HydrophobicContact CD1-CD1 4.47Å; F439-L507 HydrophobicContact CE1-CD1 3.72Å; F439-L507 HydrophobicContact CZ-CD1 4.39Å
440	E	96.7	Very high	96.9	Very high	47 Å²	47	31.9 Å²	31.9	22%	0.22	16%	0.161	C	C	.	.	H	α-helix	trans	-69.2	-43.1	177.9	-171	-178.5	133.8	0	0	111.5	G438 L442 A443 N444 K469 T471	G438-E440 PolarHBondContact O-N 3.12Å; E440-L442 VanDerWaalsContact C-N 3.33Å; E440-A443 WeakPolarHBondContact O-CB 3.39Å; E440-A443 PolarHBondContact O-N 2.91Å; E440-N444 WeakPolarHBondContact O-CB 3.5Å; E440-N444 VanDerWaalsContact O-CG 3.3Å; E440-N444 PolarHBondContact O-N 2.93Å; E440-N444 PolarHBondContact O-ND2 2.84Å; E440-K469 HydrophobicContact CB-CD 4.38Å; E440-K469 IonicContact OE1-NZ 2.75Å; E440-K469 PolarHBondContact OE1-NZ 3.22Å; E440-K469 VanDerWaalsContact OE2-CD 3.27Å; E440-K469 WeakPolarHBondContact OE2-CD 3.29Å; E440-K469 IonicContact OE2-NZ 3.87Å; E440-T471 HydrophobicContact CB-CG2 4.11Å; E440-T471 PolarHBondContact OE2-OG1 3.36Å
441	G	97.1	Very high	96.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-70.7	-30	173.6	0	0	0	0	0	112.8	H436 G438 A443 N444 G445 L446	H436-G441 WeakPolarHBondContact O-CA 3.36Å; G438-G441 PolarHBondContact O-N 2.65Å; G441-A443 VanDerWaalsContact C-N 3.33Å; G441-A443 PolarHBondContact O-N 3.33Å; G441-N444 CarbonylContact O-C 3.56Å; G441-N444 PolarHBondContact O-N 3.27Å; G441-G445 PolarHBondContact O-N 2.93Å; G441-L446 PolarHBondContact O-N 2.93Å
442	L	97.4	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-44.2	169	-173.3	59.2	0	0	0	111.3	V435 G438 F439 E440 G445 I447 I480 N483 I489	V435-L442 HydrophobicContact CG1-CB 3.87Å; V435-L442 HydrophobicContact CG1-CD1 4.38Å; V435-L442 VanDerWaalsContact CG1-N 3.35Å; V435-L442 HydrophobicContact CG2-CD1 4.26Å; G438-L442 PolarHBondContact O-N 2.64Å; F439-L442 WeakPolarHBondContact O-CB 3.38Å; F439-L442 PolarHBondContact O-N 3.19Å; E440-L442 VanDerWaalsContact C-N 3.33Å; L442-G445 PolarHBondContact O-N 3.03Å; L442-I447 HydrophobicContact CD1-CD1 3.8Å; L442-I447 HydrophobicContact CD1-CG1 4.3Å; L442-I480 HydrophobicContact CD2-CG1 4.45Å; L442-I480 HydrophobicContact CD2-CG2 3.68Å; L442-I480 HydrophobicContact CG-CG1 4.38Å; L442-I480 HydrophobicContact CG-CG2 4.17Å; L442-N483 PolarHBondContact O-ND2 2.95Å; L442-I489 HydrophobicContact CD1-CD1 4.09Å
443	A	97.4	Very high	95.7	Very high	6 Å²	6	38.4 Å²	38.4	5%	0.05	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-35.1	176.4	0	0	0	0	0	112.9	F439 E440 G441 G445 F476 K479 I480 N483	F439-A443 PolarHBondContact O-N 3.29Å; E440-A443 WeakPolarHBondContact O-CB 3.39Å; E440-A443 PolarHBondContact O-N 2.91Å; G441-A443 VanDerWaalsContact C-N 3.33Å; G441-A443 PolarHBondContact O-N 3.33Å; A443-G445 VanDerWaalsContact C-N 3.33Å; A443-F476 HydrophobicContact CB-CB 3.56Å; A443-F476 HydrophobicContact CB-CG 4.14Å; A443-K479 HydrophobicContact CB-CB 4.05Å; A443-I480 HydrophobicContact CB-CG1 3.86Å; A443-N483 PolarHBondContact O-ND2 3.23Å
444	N	97.1	Very high	95.3	Very high	89 Å²	89	40.7 Å²	40.7	48%	0.476	21%	0.207	S	C	.	.	H	α-helix	trans	-87.1	1	-179.4	-67.2	-28.4	0	0	0	113.7	E440 G441 L446	E440-N444 WeakPolarHBondContact O-CB 3.5Å; E440-N444 VanDerWaalsContact O-CG 3.3Å; E440-N444 PolarHBondContact O-N 2.93Å; E440-N444 PolarHBondContact O-ND2 2.84Å; G441-N444 CarbonylContact O-C 3.56Å; G441-N444 PolarHBondContact O-N 3.27Å; N444-L446 VanDerWaalsContact C-N 3.34Å; N444-L446 HydrophobicContact CB-CG 4.2Å
445	G	95.9	Very high	94.9	Very high	25 Å²	25	40.7 Å²	40.7	26%	0.258	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	24	-179.8	0	0	0	0	0	114.3	G441 L442 A443 I447 N483	G441-G445 PolarHBondContact O-N 2.93Å; L442-G445 PolarHBondContact O-N 3.03Å; A443-G445 VanDerWaalsContact C-N 3.33Å; G445-I447 PolarHBondContact O-N 3.1Å; G445-N483 PolarHBondContact N-ND2 3.23Å
446	L	97.4	Very high	94.4	Very high	78 Å²	78	43.1 Å²	43.1	41%	0.408	23%	0.227	S	C	.	.			trans	-77.4	56.7	175.1	-56.3	-178.9	0	0	0	111.1	H436 G441 N444	H436-L446 HydrophobicContact CB-CB 4.08Å; H436-L446 PolarHBondContact N-O 2.86Å; G441-L446 PolarHBondContact O-N 2.93Å; N444-L446 VanDerWaalsContact C-N 3.34Å; N444-L446 HydrophobicContact CB-CG 4.2Å
447	I	97.8	Very high	93.9	Very high	21 Å²	21	42 Å²	42	11%	0.108	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.1	-172.9	-55.6	167	0	0	0	108.1	Y433 G434 V435 L442 G445 N483 F487 I489	Y433-I447 HydrophobicContact CD1-CG2 3.88Å; Y433-I447 HydrophobicContact CG-CG2 3.9Å; G434-I447 WeakPolarHBondContact O-CA 3.48Å; V435-I447 HydrophobicContact CG1-CG1 4.29Å; V435-I447 HydrophobicContact CG2-CG1 4.28Å; L442-I447 HydrophobicContact CD1-CD1 3.8Å; L442-I447 HydrophobicContact CD1-CG1 4.3Å; G445-I447 PolarHBondContact O-N 3.1Å; I447-N483 HydrophobicContact CD1-CB 4.19Å; I447-F487 HydrophobicContact CB-CD1 4.35Å; I447-F487 HydrophobicContact CB-CE1 4.04Å; I447-F487 HydrophobicContact CB-CE2 4.42Å; I447-F487 HydrophobicContact CB-CZ 4.07Å; I447-F487 HydrophobicContact CD1-CD1 4.48Å; I447-F487 HydrophobicContact CD1-CD2 3.52Å; I447-F487 HydrophobicContact CD1-CE2 3.62Å; I447-F487 HydrophobicContact CD1-CG 3.98Å; I447-F487 HydrophobicContact CD1-CZ 4.15Å; I447-F487 HydrophobicContact CG2-CD1 4.04Å; I447-F487 HydrophobicContact CG2-CE1 4.17Å; I447-F487 HydrophobicContact CG2-CG 4.39Å; I447-I489 HydrophobicContact CD1-CD1 4.4Å
448	F	97.2	Very high	93.8	Very high	59 Å²	59	41.1 Å²	41.1	26%	0.259	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151	178.4	66.9	-82.6	0	0	0	110.9	Y433 G434 H436 M450 L466	Y433-F448 CarbonylContact C-O 3.38Å; Y433-F448 VanDerWaalsContact CA-O 3.3Å; Y433-F448 WeakPolarHBondContact CA-O 3.45Å; G434-F448 PolarHBondContact N-O 3.07Å; G434-F448 WeakPolarHBondContact O-CD1 3.47Å; G434-F448 WeakPolarHBondContact O-CE1 3.47Å; G434-F448 PolarHBondContact O-N 2.73Å; H436-F448 AromaticContact CD2-CD1 3.63Å; H436-F448 AromaticContact CD2-CE1 3.56Å; H436-F448 AromaticContact CE1-CE1 3.58Å; H436-F448 AromaticContact NE2-CD1 3.54Å; H436-F448 AromaticContact NE2-CE1 3.23Å; H436-F448 WeakPolarHBondContact NE2-CE1 3.27Å; H436-F448 AromaticContact NE2-CZ 3.98Å; F448-M450 HydrophobicContact CD2-CG 4.24Å; F448-M450 HydrophobicContact CE2-CE 4.31Å; F448-M450 HydrophobicContact CE2-CG 3.75Å; F448-M450 HydrophobicContact CZ-CE 4.38Å; F448-M450 HydrophobicContact CZ-CG 4.35Å; F448-L466 HydrophobicContact CE1-CD2 3.96Å; F448-L466 HydrophobicContact CZ-CD2 3.6Å
449	E	96.9	Very high	93.5	Very high	102 Å²	102	41.2 Å²	41.2	48%	0.477	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.1	178.3	-170.5	163.4	172.6	0	0	110.5	K431 Y433	K431-E449 WeakPolarHBondContact CE-OE1 3.5Å; K431-E449 WeakPolarHBondContact CE-OE2 3.42Å; K431-E449 IonicContact NZ-OE1 3.36Å; K431-E449 IonicContact NZ-OE2 3.59Å; K431-E449 PolarHBondContact NZ-OE2 2.92Å; Y433-E449 HydrophobicContact CD1-CB 4.44Å; Y433-E449 HydrophobicContact CE1-CB 4.42Å
450	M	95.3	Very high	93.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.238	C	C	.	.			trans	-108.4	127.4	-179.1	-62.9	-170.6	90.1	0	0	111.6	V418 V422 V432 G434 F448 V455 W458 L466	V418-M450 HydrophobicContact CG1-CE 4.15Å; V422-M450 HydrophobicContact CG1-CB 4.06Å; V422-M450 HydrophobicContact CG2-CB 4.42Å; V422-M450 HydrophobicContact CG2-CE 3.88Å; V422-M450 HydrophobicContact CG2-SD 3.53Å; V422-M450 VanDerWaalsContact CG2-SD 3.53Å; V432-M450 HydrophobicContact CB-CB 4.32Å; V432-M450 HydrophobicContact CG1-CB 4.2Å; V432-M450 HydrophobicContact CG1-SD 4.49Å; V432-M450 PolarHBondContact O-N 2.76Å; G434-M450 VanDerWaalsContact CA-SD 3.53Å; F448-M450 HydrophobicContact CD2-CG 4.24Å; F448-M450 HydrophobicContact CE2-CE 4.31Å; F448-M450 HydrophobicContact CE2-CG 3.75Å; F448-M450 HydrophobicContact CZ-CE 4.38Å; F448-M450 HydrophobicContact CZ-CG 4.35Å; M450-V455 HydrophobicContact CE-CG1 3.5Å; M450-W458 HydrophobicContact CE-CH2 4.01Å; M450-W458 HydrophobicContact CE-CZ3 4.32Å; M450-L466 HydrophobicContact CE-CD2 4.2Å
451	D	90.4	Very high	92.9	Very high	93 Å²	93	44 Å²	44	50%	0.497	25%	0.247	S	C	.	.			trans	-103.8	169.5	171.7	-62.6	-41.7	0	0	0	112	H453 N454	D451-H453 PolarHBondContact O-N 3.22Å; D451-N454 WeakPolarHBondContact CA-OD1 3.32Å; D451-N454 WeakPolarHBondContact CB-OD1 3.3Å; D451-N454 PolarHBondContact N-OD1 2.66Å; D451-N454 PolarHBondContact O-N 2.83Å; D451-N454 VanDerWaalsContact O-N 3.13Å
452	W	86.7	Confident	92.7	Very high	57 Å²	57	45.2 Å²	45.2	22%	0.216	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.8	178.8	-169	-86.5	0	0	0	114	P391 R423 L426	P391-W452 HydrophobicContact CB-CH2 3.81Å; P391-W452 HydrophobicContact CB-CZ3 4.17Å; P391-W452 HydrophobicContact CG-CH2 3.55Å; P391-W452 HydrophobicContact CG-CZ2 4.06Å; P391-W452 HydrophobicContact CG-CZ3 4.22Å; R423-W452 HydrophobicContact CB-CE3 4.22Å; R423-W452 HydrophobicContact CB-CH2 3.88Å; R423-W452 HydrophobicContact CB-CZ3 3.74Å; R423-W452 HydrophobicContact CG-CD2 4.11Å; R423-W452 HydrophobicContact CG-CE3 3.98Å; R423-W452 HydrophobicContact CG-CH2 3.96Å; R423-W452 HydrophobicContact CG-CZ2 4.11Å; R423-W452 HydrophobicContact CG-CZ3 3.91Å; R423-W452 WeakPolarHBondContact O-CZ3 3.29Å; L426-W452 HydrophobicContact CD1-CB 4.39Å
453	H	84.4	Confident	92.6	Very high	81 Å²	81	46.9 Å²	46.9	38%	0.375	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-24.7	-176.2	-61.4	93.6	0	0	0	113.7	K253 D451 V455 A456	K253-H453 VanDerWaalsContact CB-NE2 3.26Å; K253-H453 WeakPolarHBondContact CB-NE2 3.34Å; K253-H453 PolarHBondContact O-CD2 2.8Å; K253-H453 PolarHBondContact O-CE1 2.9Å; K253-H453 PolarHBondContact O-NE2 2.84Å; K253-H453 VanDerWaalsContact O-NE2 3.09Å; D451-H453 PolarHBondContact O-N 3.22Å; H453-V455 PolarHBondContact O-N 2.9Å; H453-V455 VanDerWaalsContact O-N 3.12Å; H453-A456 VanDerWaalsContact O-CB 3.3Å; H453-A456 WeakPolarHBondContact O-CB 3.35Å; H453-A456 PolarHBondContact O-N 2.87Å
454	N	88.6	Confident	92.5	Very high	70 Å²	70	47.8 Å²	47.8	37%	0.374	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.7	-179.3	-63.3	115.7	0	0	0	111.8	D451 W458	D451-N454 WeakPolarHBondContact CA-OD1 3.32Å; D451-N454 WeakPolarHBondContact CB-OD1 3.3Å; D451-N454 PolarHBondContact N-OD1 2.66Å; D451-N454 PolarHBondContact O-N 2.83Å; D451-N454 VanDerWaalsContact O-N 3.13Å; N454-W458 WeakPolarHBondContact O-CZ2 3.39Å; N454-W458 PolarHBondContact O-NE1 3.05Å
455	V	91.3	Very high	92.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	13.6	179.7	-60.7	0	0	0	0	114.2	V418 R419 V422 R423 M450 H453 G457 W458	V418-V455 HydrophobicContact CG1-CG1 4.35Å; R419-V455 HydrophobicContact CB-CB 4.01Å; R419-V455 HydrophobicContact CB-CG2 4.34Å; R419-V455 WeakPolarHBondContact CD-O 3.2Å; R419-V455 HydrophobicContact CG-CB 4.02Å; R419-V455 HydrophobicContact CG-CG2 3.94Å; R419-V455 WeakPolarHBondContact CG-O 3.23Å; V422-V455 HydrophobicContact CB-CG1 4.08Å; V422-V455 HydrophobicContact CB-CG2 4.23Å; V422-V455 HydrophobicContact CG1-CG1 4.16Å; V422-V455 HydrophobicContact CG1-CG2 4.07Å; V422-V455 HydrophobicContact CG2-CG1 3.93Å; R423-V455 HydrophobicContact CG-CG2 4.18Å; M450-V455 HydrophobicContact CE-CG1 3.5Å; H453-V455 PolarHBondContact O-N 2.9Å; H453-V455 VanDerWaalsContact O-N 3.12Å; V455-G457 PolarHBondContact O-N 2.75Å; V455-W458 HydrophobicContact CB-CD2 4.12Å; V455-W458 HydrophobicContact CB-CE3 4.42Å; V455-W458 HydrophobicContact CB-CG 4.22Å; V455-W458 HydrophobicContact CG1-CD2 4.09Å; V455-W458 HydrophobicContact CG1-CE3 4.02Å; V455-W458 HydrophobicContact CG1-CH2 4.47Å; V455-W458 HydrophobicContact CG1-CZ3 4.23Å; V455-W458 WeakPolarHBondContact O-CB 3.47Å; V455-W458 PolarHBondContact O-N 3Å
456	A	87.1	Confident	92.5	Very high	51 Å²	51	45.4 Å²	45.4	42%	0.421	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	132.1	176.9	0	0	0	0	0	110.8	H453 W458	H453-A456 VanDerWaalsContact O-CB 3.3Å; H453-A456 WeakPolarHBondContact O-CB 3.35Å; H453-A456 PolarHBondContact O-N 2.87Å; A456-W458 PolarHBondContact O-N 2.71Å
457	G	86.6	Confident	92.4	Very high	50 Å²	50	42.5 Å²	42.5	52%	0.515	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	0.5	-179.6	0	0	0	0	0	115.8	V455 T459	V455-G457 PolarHBondContact O-N 2.75Å; G457-T459 VanDerWaalsContact C-N 3.26Å; G457-T459 PolarHBondContact O-N 2.95Å
458	W	93.6	Very high	92.4	Very high	31 Å²	31	42.9 Å²	42.9	12%	0.117	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-68.4	-21.4	-177.3	-77.2	31.9	0	0	0	114	N415 V418 R419 M450 N454 V455 A456 G460 Q461 L465 L466	N415-W458 HydrophobicContact CB-CB 4.17Å; N415-W458 HydrophobicContact CB-CE3 4.27Å; N415-W458 VanDerWaalsContact CB-O 3.28Å; N415-W458 WeakPolarHBondContact CB-O 3.28Å; V418-W458 HydrophobicContact CB-CE3 4.21Å; V418-W458 HydrophobicContact CB-CZ3 4.13Å; V418-W458 HydrophobicContact CG1-CE3 4.03Å; V418-W458 HydrophobicContact CG1-CZ3 3.62Å; R419-W458 HydrophobicContact CB-CB 4.12Å; M450-W458 HydrophobicContact CE-CH2 4.01Å; M450-W458 HydrophobicContact CE-CZ3 4.32Å; N454-W458 WeakPolarHBondContact O-CZ2 3.39Å; N454-W458 PolarHBondContact O-NE1 3.05Å; V455-W458 HydrophobicContact CB-CD2 4.12Å; V455-W458 HydrophobicContact CB-CE3 4.42Å; V455-W458 HydrophobicContact CB-CG 4.22Å; V455-W458 HydrophobicContact CG1-CD2 4.09Å; V455-W458 HydrophobicContact CG1-CE3 4.02Å; V455-W458 HydrophobicContact CG1-CH2 4.47Å; V455-W458 HydrophobicContact CG1-CZ3 4.23Å; V455-W458 WeakPolarHBondContact O-CB 3.47Å; V455-W458 PolarHBondContact O-N 3Å; A456-W458 PolarHBondContact O-N 2.71Å; W458-G460 VanDerWaalsContact C-N 3.31Å; W458-G460 PolarHBondContact O-N 2.85Å; W458-Q461 PolarHBondContact O-N 2.92Å; W458-L465 HydrophobicContact CB-CD1 4.21Å; W458-L465 HydrophobicContact CD2-CB 4.22Å; W458-L465 HydrophobicContact CD2-CD1 3.32Å; W458-L465 HydrophobicContact CD2-CG 4.41Å; W458-L465 VanDerWaalsContact CE2-CD1 3.41Å; W458-L465 HydrophobicContact CE3-CB 4.12Å; W458-L465 HydrophobicContact CE3-CD1 3.86Å; W458-L465 HydrophobicContact CG-CD1 3.47Å; W458-L465 VanDerWaalsContact CG-CD1 3.47Å; W458-L465 HydrophobicContact CH2-CB 3.62Å; W458-L465 HydrophobicContact CH2-CD1 4.49Å; W458-L465 HydrophobicContact CZ2-CB 3.72Å; W458-L465 HydrophobicContact CZ2-CD1 4.04Å; W458-L465 HydrophobicContact CZ3-CB 3.81Å; W458-L465 HydrophobicContact CZ3-CD1 4.39Å; W458-L466 HydrophobicContact CH2-CD2 3.98Å; W458-L466 HydrophobicContact CH2-CG 4.25Å; W458-L466 HydrophobicContact CZ3-CD2 4.35Å; W458-L466 HydrophobicContact CZ3-CG 4.2Å
459	T	90.5	Very high	92.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-57.3	-41.6	-175.1	-40	0	0	0	0	112.8	A222 A416 R419 G457 R672	A222-T459 WeakPolarHBondContact O-CG2 3.12Å; A416-T459 HydrophobicContact CB-CG2 4.12Å; R419-T459 WeakPolarHBondContact CD-OG1 3.32Å; R419-T459 PolarHBondContact NE-OG1 2.64Å; G457-T459 VanDerWaalsContact C-N 3.26Å; G457-T459 PolarHBondContact O-N 2.95Å; T459-R672 HydrophobicContact CG2-CB 4.31Å; T459-R672 WeakPolarHBondContact O-CG 3.44Å
460	G	89.3	Confident	92.2	Very high	19 Å²	19	45.3 Å²	45.3	20%	0.196	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-92.7	2.5	-176.5	0	0	0	0	0	115.2	W458 P667 R672	W458-G460 VanDerWaalsContact C-N 3.31Å; W458-G460 PolarHBondContact O-N 2.85Å; G460-P667 WeakPolarHBondContact O-CD 3.29Å; G460-R672 VanDerWaalsContact CA-NH1 3.3Å
461	Q	93.5	Very high	92.2	Very high	89 Å²	89	46.7 Å²	46.7	42%	0.416	27%	0.269	S	S	.	.			trans	-94.1	131.2	-176.3	-63.4	-168.1	13.6	0	0	111.3	N415 W458 L465	N415-Q461 PolarHBondContact ND2-O 3.31Å; W458-Q461 PolarHBondContact O-N 2.92Å; Q461-L465 HydrophobicContact CB-CD1 4.28Å; Q461-L465 VanDerWaalsContact OE1-CD1 3.28Å
462	G	93.4	Very high	92.5	Very high	26 Å²	26	44.1 Å²	44.1	27%	0.268	26%	0.255	S	S	.	.			trans	-75.1	-176.9	170.7	0	0	0	0	0	113.1	N415 G665	N415-G462 PolarHBondContact ND2-O 2.9Å; G462-G665 VanDerWaalsContact CA-O 3.28Å; G462-G665 WeakPolarHBondContact CA-O 3.34Å
463	G	93.7	Very high	92.9	Very high	34 Å²	34	41.4 Å²	41.4	35%	0.351	25%	0.245	S	C	.	.	S	Bend	trans	69	-154.1	179.6	0	0	0	0	0	113.6	N415	N415-G463 PolarHBondContact ND2-O 3.21Å
464	S	96.2	Very high	93.4	Very high	25 Å²	25	40.5 Å²	40.5	18%	0.175	25%	0.251	C	S	.	.			trans	-131.3	111.3	175.8	176.9	0	0	0	0	109.9	N406 L466 G467	N406-S464 WeakPolarHBondContact CB-OG 3.43Å; N406-S464 PolarHBondContact ND2-OG 2.96Å; S464-L466 VanDerWaalsContact C-N 3.33Å; S464-G467 PolarHBondContact O-N 3.31Å; S464-G467 VanDerWaalsContact O-N 3.08Å; S464-G467 VanDerWaalsContact OG-C 3.31Å; S464-G467 PolarHBondContact OG-N 2.91Å; S464-G467 PolarHBondContact OG-O 3.36Å
465	L	96.6	Very high	93.5	Very high	64 Å²	64	45 Å²	45	34%	0.335	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-22.3	179.7	-66.6	169	0	0	0	113.2	N415 W458 Q461 G467	N415-L465 HydrophobicContact CB-CD1 4.29Å; N415-L465 PolarHBondContact OD1-N 3Å; W458-L465 HydrophobicContact CB-CD1 4.21Å; W458-L465 HydrophobicContact CD2-CB 4.22Å; W458-L465 HydrophobicContact CD2-CD1 3.32Å; W458-L465 HydrophobicContact CD2-CG 4.41Å; W458-L465 VanDerWaalsContact CE2-CD1 3.41Å; W458-L465 HydrophobicContact CE3-CB 4.12Å; W458-L465 HydrophobicContact CE3-CD1 3.86Å; W458-L465 HydrophobicContact CG-CD1 3.47Å; W458-L465 VanDerWaalsContact CG-CD1 3.47Å; W458-L465 HydrophobicContact CH2-CB 3.62Å; W458-L465 HydrophobicContact CH2-CD1 4.49Å; W458-L465 HydrophobicContact CZ2-CB 3.72Å; W458-L465 HydrophobicContact CZ2-CD1 4.04Å; W458-L465 HydrophobicContact CZ3-CB 3.81Å; W458-L465 HydrophobicContact CZ3-CD1 4.39Å; Q461-L465 HydrophobicContact CB-CD1 4.28Å; Q461-L465 VanDerWaalsContact OE1-CD1 3.28Å; L465-G467 PolarHBondContact O-N 3.39Å
466	L	96.4	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.6	167.3	-65.7	179.7	0	0	0	111.9	I404 V418 H436 D437 F448 M450 W458 S464	I404-L466 HydrophobicContact CG2-CD1 4.38Å; V418-L466 HydrophobicContact CG1-CD1 4.08Å; V418-L466 HydrophobicContact CG2-CD1 3.9Å; H436-L466 WeakPolarHBondContact CA-O 3.45Å; H436-L466 PolarHBondContact ND1-O 3.49Å; D437-L466 PolarHBondContact N-O 3.46Å; F448-L466 HydrophobicContact CE1-CD2 3.96Å; F448-L466 HydrophobicContact CZ-CD2 3.6Å; M450-L466 HydrophobicContact CE-CD2 4.2Å; W458-L466 HydrophobicContact CH2-CD2 3.98Å; W458-L466 HydrophobicContact CH2-CG 4.25Å; W458-L466 HydrophobicContact CZ3-CD2 4.35Å; W458-L466 HydrophobicContact CZ3-CG 4.2Å; S464-L466 VanDerWaalsContact C-N 3.33Å
467	G	96.3	Very high	94.1	Very high	18 Å²	18	47 Å²	47	19%	0.186	27%	0.268	C	S	.	.			trans	75.5	159.3	-163.1	0	0	0	0	0	110.7	S464 L465	S464-G467 PolarHBondContact O-N 3.31Å; S464-G467 VanDerWaalsContact O-N 3.08Å; S464-G467 VanDerWaalsContact OG-C 3.31Å; S464-G467 PolarHBondContact OG-N 2.91Å; S464-G467 PolarHBondContact OG-O 3.36Å; L465-G467 PolarHBondContact O-N 3.39Å
468	T	96.1	Very high	94.5	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.172	28%	0.277	C	S	.	.			trans	-156	140.9	-179	-176.5	0	0	0	0	110.2	N406 V407 G408 P410	N406-T468 PolarHBondContact O-OG1 3.14Å; V407-T468 VanDerWaalsContact C-OG1 3.3Å; V407-T468 WeakPolarHBondContact CA-OG1 3.5Å; V407-T468 PolarHBondContact N-OG1 2.96Å; G408-T468 PolarHBondContact N-OG1 2.83Å; G408-T468 WeakPolarHBondContact O-CG2 3.45Å; G408-T468 PolarHBondContact O-OG1 3.35Å; P410-T468 HydrophobicContact CB-CG2 4.29Å
469	K	95	Very high	94.7	Very high	67 Å²	67	55.2 Å²	55.2	29%	0.291	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-134.7	159.2	177.1	-68.8	-175.4	177.6	164.8	0	110.2	G408 D437 E440 T471	G408-K469 PolarHBondContact N-O 3.47Å; D437-K469 HydrophobicContact CB-CD 3.96Å; D437-K469 HydrophobicContact CB-CG 4.2Å; D437-K469 WeakPolarHBondContact OD2-CE 3.45Å; D437-K469 IonicContact OD2-NZ 3.39Å; D437-K469 PolarHBondContact OD2-NZ 2.89Å; E440-K469 HydrophobicContact CB-CD 4.38Å; E440-K469 IonicContact OE1-NZ 2.75Å; E440-K469 PolarHBondContact OE1-NZ 3.22Å; E440-K469 VanDerWaalsContact OE2-CD 3.27Å; E440-K469 WeakPolarHBondContact OE2-CD 3.29Å; E440-K469 IonicContact OE2-NZ 3.87Å; K469-T471 PolarHBondContact O-N 3.24Å
470	R	95.1	Very high	95.1	Very high	146 Å²	146	55.1 Å²	55.1	55%	0.551	29%	0.292	S	S	*	.			trans	-87.7	13.4	175.6	-62.2	-176.7	-176.7	-155.5	4.6	113	E499	R470-E499 HydrophobicContact CB-CG 4.08Å; R470-E499 WeakPolarHBondContact CD-OE1 3.41Å
471	T	95.7	Very high	95.4	Very high	29 Å²	29	54.8 Å²	54.8	18%	0.178	29%	0.286	C	S	.	.			trans	-73.8	129.1	-175.9	-51.8	0	0	0	0	110.3	F439 E440 K469 F476	F439-T471 WeakPolarHBondContact CD2-O 3.46Å; E440-T471 HydrophobicContact CB-CG2 4.11Å; E440-T471 PolarHBondContact OE2-OG1 3.36Å; K469-T471 PolarHBondContact O-N 3.24Å; T471-F476 HydrophobicContact CG2-CD2 4.25Å; T471-F476 HydrophobicContact CG2-CE2 3.7Å
472	L	96.9	Very high	95.6	Very high	39 Å²	39	56.7 Å²	56.7	20%	0.204	30%	0.295	C	S	.	.			trans	-89.9	149.4	178	-68.4	169.6	0	0	0	111.7	A474 E499 E502	L472-A474 PolarHBondContact O-N 3.29Å; L472-E499 HydrophobicContact CD2-CB 4.12Å; L472-E499 HydrophobicContact CD2-CG 4.38Å; L472-E502 WeakPolarHBondContact CD1-OE1 3.32Å; L472-E502 HydrophobicContact CD2-CB 4.12Å; L472-E502 HydrophobicContact CD2-CG 4.17Å
473	P	95.9	Very high	95.8	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-70.7	-24.7	-173.5	27.1	-33.4	0	0	0	114.1	F439 K475 F476 M477 I480 G503 Q506 L507	F439-P473 HydrophobicContact CB-CB 4.36Å; F439-P473 HydrophobicContact CD1-CB 4.1Å; F439-P473 HydrophobicContact CD1-CG 4.4Å; F439-P473 HydrophobicContact CD2-CG 4.34Å; F439-P473 HydrophobicContact CE1-CG 4.46Å; F439-P473 HydrophobicContact CE2-CG 4.37Å; F439-P473 HydrophobicContact CG-CB 4.1Å; F439-P473 HydrophobicContact CG-CG 4.35Å; F439-P473 HydrophobicContact CZ-CG 4.43Å; P473-K475 PolarHBondContact O-N 3.46Å; P473-F476 CarbonylContact O-C 3.58Å; P473-F476 PolarHBondContact O-N 2.84Å; P473-M477 PolarHBondContact O-N 2.96Å; P473-M477 VanDerWaalsContact O-N 3.13Å; P473-I480 HydrophobicContact CB-CD1 3.47Å; P473-I480 VanDerWaalsContact CB-CD1 3.47Å; P473-G503 VanDerWaalsContact CD-CA 3.48Å; P473-G503 VanDerWaalsContact CG-O 3.32Å; P473-G503 WeakPolarHBondContact CG-O 3.2Å; P473-Q506 HydrophobicContact CG-CB 4.05Å; P473-L507 HydrophobicContact CB-CD2 3.79Å; P473-L507 HydrophobicContact CB-CG 4.19Å; P473-L507 HydrophobicContact CG-CD2 4.12Å; P473-L507 HydrophobicContact CG-CG 4Å
474	A	93.7	Very high	96	Very high	62 Å²	62	54.6 Å²	54.6	51%	0.512	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-52.7	-30.2	-179.5	0	0	0	0	0	114.4	L472 F476 Q506	L472-A474 PolarHBondContact O-N 3.29Å; A474-F476 VanDerWaalsContact C-N 3.3Å; A474-F476 PolarHBondContact O-N 3.29Å; A474-Q506 VanDerWaalsContact N-OE1 3.12Å
475	K	90.6	Very high	95.9	Very high	166 Å²	166	55.3 Å²	55.3	72%	0.722	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-71.8	-21.2	179.3	-67	-175.8	179.5	-178.2	0	114	P473	P473-K475 PolarHBondContact O-N 3.46Å
476	F	94.1	Very high	95.9	Very high	67 Å²	67	59.3 Å²	59.3	29%	0.294	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-138.1	28.6	-171	-49.8	-72.4	0	0	0	112.4	A443 T471 P473 A474 E478 K479 I480	A443-F476 HydrophobicContact CB-CB 3.56Å; A443-F476 HydrophobicContact CB-CG 4.14Å; T471-F476 HydrophobicContact CG2-CD2 4.25Å; T471-F476 HydrophobicContact CG2-CE2 3.7Å; P473-F476 CarbonylContact O-C 3.58Å; P473-F476 PolarHBondContact O-N 2.84Å; A474-F476 VanDerWaalsContact C-N 3.3Å; A474-F476 PolarHBondContact O-N 3.29Å; F476-E478 PolarHBondContact O-N 3.29Å; F476-K479 PolarHBondContact O-N 3.22Å; F476-K479 VanDerWaalsContact O-N 3.16Å; F476-I480 WeakPolarHBondContact O-CG1 3.22Å; F476-I480 PolarHBondContact O-N 3.35Å
477	M	96.3	Very high	95.9	Very high	26 Å²	26	61.3 Å²	61.3	13%	0.128	30%	0.304	C	S	.	.	H	α-helix	trans	-54.2	-48.6	-170.7	-168.6	66.5	71.2	0	0	112.8	P473 K479 I480 V481 L507 A510 F514 L517	P473-M477 PolarHBondContact O-N 2.96Å; P473-M477 VanDerWaalsContact O-N 3.13Å; M477-K479 VanDerWaalsContact C-N 3.35Å; M477-K479 PolarHBondContact O-N 3.3Å; M477-I480 WeakPolarHBondContact O-CB 3.39Å; M477-I480 PolarHBondContact O-N 2.99Å; M477-V481 WeakPolarHBondContact O-CG2 2.91Å; M477-V481 PolarHBondContact O-N 2.88Å; M477-L507 HydrophobicContact CE-CD2 4.21Å; M477-L507 HydrophobicContact SD-CD2 3.69Å; M477-A510 HydrophobicContact CE-CB 3.69Å; M477-A510 HydrophobicContact CG-CB 4.36Å; M477-A510 HydrophobicContact SD-CB 3.82Å; M477-F514 HydrophobicContact CG-CD2 4.08Å; M477-F514 HydrophobicContact CG-CE2 3.65Å; M477-F514 HydrophobicContact CG-CZ 4.34Å; M477-L517 HydrophobicContact SD-CD1 3.81Å
478	E	96.7	Very high	95.8	Very high	151 Å²	151	70.3 Å²	70.3	71%	0.706	33%	0.332	S	S	*	.	H	α-helix	trans	-59.4	-43.5	-179.7	-65.6	178.7	176.4	0	0	112.3	F476 V481 E482 F514	F476-E478 PolarHBondContact O-N 3.29Å; E478-V481 PolarHBondContact O-N 2.86Å; E478-E482 WeakPolarHBondContact O-CB 3.42Å; E478-E482 PolarHBondContact O-N 3.25Å; E478-F514 HydrophobicContact CG-CZ 4.38Å
479	K	97.3	Very high	95.8	Very high	102 Å²	102	69.3 Å²	69.3	44%	0.443	33%	0.326	S	S	.	.	H	α-helix	trans	-67.6	-36.6	177.9	-65.7	-174.6	176.7	-175.6	0	112.5	A443 F476 M477 N483	A443-K479 HydrophobicContact CB-CB 4.05Å; F476-K479 PolarHBondContact O-N 3.22Å; F476-K479 VanDerWaalsContact O-N 3.16Å; M477-K479 VanDerWaalsContact C-N 3.35Å; M477-K479 PolarHBondContact O-N 3.3Å; K479-N483 PolarHBondContact O-N 2.78Å; K479-N483 PolarHBondContact O-ND2 3.08Å
480	I	97.4	Very high	95.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-47.2	175	-71.3	171.7	0	0	0	109.7	F439 L442 A443 P473 F476 M477 N483 I484 L507	F439-I480 HydrophobicContact CB-CD1 4.31Å; L442-I480 HydrophobicContact CD2-CG1 4.45Å; L442-I480 HydrophobicContact CD2-CG2 3.68Å; L442-I480 HydrophobicContact CG-CG1 4.38Å; L442-I480 HydrophobicContact CG-CG2 4.17Å; A443-I480 HydrophobicContact CB-CG1 3.86Å; P473-I480 HydrophobicContact CB-CD1 3.47Å; P473-I480 VanDerWaalsContact CB-CD1 3.47Å; F476-I480 WeakPolarHBondContact O-CG1 3.22Å; F476-I480 PolarHBondContact O-N 3.35Å; M477-I480 WeakPolarHBondContact O-CB 3.39Å; M477-I480 PolarHBondContact O-N 2.99Å; I480-N483 PolarHBondContact O-N 3Å; I480-I484 HydrophobicContact CG2-CD1 3.76Å; I480-I484 HydrophobicContact CG2-CG1 4.41Å; I480-I484 WeakPolarHBondContact O-CG1 3.5Å; I480-I484 PolarHBondContact O-N 2.98Å; I480-L507 HydrophobicContact CG2-CD2 4.27Å
481	V	97.3	Very high	96.1	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-46.2	177.3	166.5	0	0	0	0	111.3	M477 E478 N483 I484 G485 F514 E516 L517	M477-V481 WeakPolarHBondContact O-CG2 2.91Å; M477-V481 PolarHBondContact O-N 2.88Å; E478-V481 PolarHBondContact O-N 2.86Å; V481-N483 VanDerWaalsContact C-N 3.33Å; V481-N483 PolarHBondContact O-N 2.81Å; V481-I484 PolarHBondContact O-N 3.13Å; V481-G485 PolarHBondContact O-N 2.79Å; V481-F514 HydrophobicContact CB-CD1 4.34Å; V481-F514 HydrophobicContact CG1-CB 4.32Å; V481-F514 HydrophobicContact CG1-CD1 3.94Å; V481-F514 HydrophobicContact CG1-CG 4.38Å; V481-F514 HydrophobicContact CG2-CB 3.8Å; V481-F514 HydrophobicContact CG2-CD1 3.93Å; V481-F514 HydrophobicContact CG2-CD2 4.19Å; V481-F514 HydrophobicContact CG2-CG 3.71Å; V481-E516 HydrophobicContact CG1-CB 3.93Å; V481-E516 HydrophobicContact CG1-CG 3.89Å; V481-E516 WeakPolarHBondContact CG1-OE2 3.16Å; V481-L517 HydrophobicContact CG2-CD1 4.04Å; V481-L517 HydrophobicContact CG2-CD2 3.96Å; V481-L517 HydrophobicContact CG2-CG 3.88Å
482	E	97.3	Very high	96.2	Very high	129 Å²	129	58.9 Å²	58.9	60%	0.603	28%	0.284	S	S	*	.	H	α-helix	trans	-55.6	-47.7	175.9	-174.3	-172.2	171.1	0	0	111.4	E478 G485 K486	E478-E482 WeakPolarHBondContact O-CB 3.42Å; E478-E482 PolarHBondContact O-N 3.25Å; E482-G485 PolarHBondContact O-N 2.94Å; E482-K486 VanDerWaalsContact O-CB 3.31Å; E482-K486 WeakPolarHBondContact O-CB 3.5Å; E482-K486 PolarHBondContact O-N 3.3Å
483	N	97.8	Very high	96.3	Very high	11 Å²	11	57 Å²	57	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-71.1	-34.9	179.5	-75.7	-39.2	0	0	0	112.9	L442 A443 G445 I447 K479 I480 V481 G485 K486 F487	L442-N483 PolarHBondContact O-ND2 2.95Å; A443-N483 PolarHBondContact O-ND2 3.23Å; G445-N483 PolarHBondContact N-ND2 3.23Å; I447-N483 HydrophobicContact CD1-CB 4.19Å; K479-N483 PolarHBondContact O-N 2.78Å; K479-N483 PolarHBondContact O-ND2 3.08Å; I480-N483 PolarHBondContact O-N 3Å; V481-N483 VanDerWaalsContact C-N 3.33Å; V481-N483 PolarHBondContact O-N 2.81Å; N483-G485 VanDerWaalsContact C-N 3.3Å; N483-G485 PolarHBondContact O-N 3.17Å; N483-K486 PolarHBondContact O-N 3.12Å; N483-F487 HydrophobicContact CB-CD2 4.38Å; N483-F487 WeakPolarHBondContact O-CD2 3.22Å; N483-F487 PolarHBondContact O-N 2.93Å
484	I	96.9	Very high	96.4	Very high	5 Å²	5	57 Å²	57	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-45.9	172.1	-74.6	170.3	0	0	0	110.3	I480 V481 R488 I489 E516 L517 I519	I480-I484 HydrophobicContact CG2-CD1 3.76Å; I480-I484 HydrophobicContact CG2-CG1 4.41Å; I480-I484 WeakPolarHBondContact O-CG1 3.5Å; I480-I484 PolarHBondContact O-N 2.98Å; V481-I484 PolarHBondContact O-N 3.13Å; I484-R488 WeakPolarHBondContact O-CA 3.46Å; I484-R488 PolarHBondContact O-N 2.92Å; I484-I489 HydrophobicContact CB-CB 4.49Å; I484-I489 HydrophobicContact CG1-CB 4.42Å; I484-I489 HydrophobicContact CG1-CD1 4.31Å; I484-I489 HydrophobicContact CG2-CB 4.19Å; I484-I489 PolarHBondContact O-N 2.97Å; I484-E516 HydrophobicContact CG2-CB 4.14Å; I484-L517 HydrophobicContact CD1-CD2 3.61Å; I484-I519 HydrophobicContact CG2-CD1 4.43Å
485	G	95.3	Very high	96.7	Very high	40 Å²	40	54.1 Å²	54.1	41%	0.412	25%	0.25	S	C	.	.	H	α-helix	trans	-63.6	-49.2	174.5	0	0	0	0	0	112.8	V481 E482 N483 F487 R488	V481-G485 PolarHBondContact O-N 2.79Å; E482-G485 PolarHBondContact O-N 2.94Å; N483-G485 VanDerWaalsContact C-N 3.3Å; N483-G485 PolarHBondContact O-N 3.17Å; G485-F487 PolarHBondContact O-N 3.05Å; G485-R488 PolarHBondContact O-N 2.87Å; G485-R488 VanDerWaalsContact O-N 3.13Å
486	K	96.1	Very high	97	Very high	148 Å²	148	46.2 Å²	46.2	64%	0.643	22%	0.216	S	C	*	.	H	α-helix	trans	-58.4	-44.5	-177.9	-179.4	179.9	175.9	-179.1	0	113.1	E482 N483 R488	E482-K486 VanDerWaalsContact O-CB 3.31Å; E482-K486 WeakPolarHBondContact O-CB 3.5Å; E482-K486 PolarHBondContact O-N 3.3Å; N483-K486 PolarHBondContact O-N 3.12Å; K486-R488 VanDerWaalsContact C-N 3.33Å
487	F	95.7	Very high	97.1	Very high	43 Å²	43	43.1 Å²	43.1	19%	0.189	20%	0.203	C	C	.	.	H	α-helix	trans	-90.4	0.2	-179.5	-70.5	-93.4	0	0	0	113.1	Y433 I447 N483 G485 I489	Y433-F487 HydrophobicContact CE1-CD1 4.26Å; Y433-F487 HydrophobicContact CE2-CB 4.35Å; Y433-F487 WeakPolarHBondContact CE2-O 3.38Å; Y433-F487 PolarHBondContact OH-O 3.48Å; I447-F487 HydrophobicContact CB-CD1 4.35Å; I447-F487 HydrophobicContact CB-CE1 4.04Å; I447-F487 HydrophobicContact CB-CE2 4.42Å; I447-F487 HydrophobicContact CB-CZ 4.07Å; I447-F487 HydrophobicContact CD1-CD1 4.48Å; I447-F487 HydrophobicContact CD1-CD2 3.52Å; I447-F487 HydrophobicContact CD1-CE2 3.62Å; I447-F487 HydrophobicContact CD1-CG 3.98Å; I447-F487 HydrophobicContact CD1-CZ 4.15Å; I447-F487 HydrophobicContact CG2-CD1 4.04Å; I447-F487 HydrophobicContact CG2-CE1 4.17Å; I447-F487 HydrophobicContact CG2-CG 4.39Å; N483-F487 HydrophobicContact CB-CD2 4.38Å; N483-F487 WeakPolarHBondContact O-CD2 3.22Å; N483-F487 PolarHBondContact O-N 2.93Å; G485-F487 PolarHBondContact O-N 3.05Å; F487-I489 VanDerWaalsContact C-N 3.29Å; F487-I489 HydrophobicContact CB-CD1 4.18Å; F487-I489 HydrophobicContact CB-CG1 3.97Å; F487-I489 PolarHBondContact O-N 3.24Å
488	R	94.9	Very high	97.2	Very high	207 Å²	207	41.9 Å²	41.9	78%	0.781	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	44.1	-177.3	-58.5	-179	178.4	174.2	-0.8	112.4	S401 I484 G485 K486 T490	S401-R488 PolarHBondContact OG-O 3.2Å; I484-R488 WeakPolarHBondContact O-CA 3.46Å; I484-R488 PolarHBondContact O-N 2.92Å; G485-R488 PolarHBondContact O-N 2.87Å; G485-R488 VanDerWaalsContact O-N 3.13Å; K486-R488 VanDerWaalsContact C-N 3.33Å; R488-T490 PolarHBondContact O-N 3.01Å
489	I	96.8	Very high	97.3	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	17%	0.165	C	C	.	.			trans	-67.6	118.2	-179.7	-64.3	170.3	0	0	0	108.7	S401 A403 Y433 L442 I447 I484 F487 A491 I519	S401-I489 VanDerWaalsContact OG-CA 3.26Å; S401-I489 WeakPolarHBondContact OG-CA 3.23Å; A403-I489 HydrophobicContact CB-CD1 3.74Å; A403-I489 HydrophobicContact CB-CG1 4.1Å; A403-I489 HydrophobicContact CB-CG2 3.68Å; Y433-I489 HydrophobicContact CD2-CG1 4.33Å; L442-I489 HydrophobicContact CD1-CD1 4.09Å; I447-I489 HydrophobicContact CD1-CD1 4.4Å; I484-I489 HydrophobicContact CB-CB 4.49Å; I484-I489 HydrophobicContact CG1-CB 4.42Å; I484-I489 HydrophobicContact CG1-CD1 4.31Å; I484-I489 HydrophobicContact CG2-CB 4.19Å; I484-I489 PolarHBondContact O-N 2.97Å; F487-I489 VanDerWaalsContact C-N 3.29Å; F487-I489 HydrophobicContact CB-CD1 4.18Å; F487-I489 HydrophobicContact CB-CG1 3.97Å; F487-I489 PolarHBondContact O-N 3.24Å; I489-A491 VanDerWaalsContact CG2-O 3.29Å; I489-A491 WeakPolarHBondContact CG2-O 3.43Å; I489-I519 HydrophobicContact CG2-CD1 4.15Å
490	T	96.7	Very high	97.3	Very high	23 Å²	23	30.3 Å²	30.3	14%	0.141	14%	0.144	C	C	.	.			trans	-103.3	-11.6	-177.9	58.9	0	0	0	0	114	H400 S401 R488 I519 P520 L690 V699	H400-T490 WeakPolarHBondContact CA-OG1 3.42Å; S401-T490 PolarHBondContact N-OG1 3.39Å; S401-T490 WeakPolarHBondContact O-CA 3.38Å; S401-T490 PolarHBondContact O-N 3.21Å; S401-T490 PolarHBondContact O-OG1 3.38Å; R488-T490 PolarHBondContact O-N 3.01Å; T490-I519 VanDerWaalsContact O-CB 3.3Å; T490-I519 WeakPolarHBondContact O-CB 3.32Å; T490-I519 WeakPolarHBondContact O-CG2 3.4Å; T490-P520 WeakPolarHBondContact O-CD 3.36Å; T490-L690 VanDerWaalsContact O-CD2 3.22Å; T490-L690 WeakPolarHBondContact O-CD2 3.36Å; T490-V699 HydrophobicContact CG2-CG2 4.25Å
491	A	98.1	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.4	174.9	0	0	0	0	0	110.9	S401 V402 A403 I489 P520 L686 L690	S401-A491 PolarHBondContact O-N 2.71Å; S401-A491 VanDerWaalsContact O-N 3.11Å; V402-A491 WeakPolarHBondContact CA-O 3.47Å; V402-A491 HydrophobicContact CG1-CB 4.39Å; V402-A491 HydrophobicContact CG2-CB 4.25Å; A403-A491 PolarHBondContact N-O 3.41Å; I489-A491 VanDerWaalsContact CG2-O 3.29Å; I489-A491 WeakPolarHBondContact CG2-O 3.43Å; A491-P520 WeakPolarHBondContact CA-O 3.32Å; A491-L686 HydrophobicContact CB-CD2 4.2Å; A491-L690 HydrophobicContact CB-CD1 4.06Å; A491-L690 HydrophobicContact CB-CD2 4.07Å; A491-L690 HydrophobicContact CB-CG 4.22Å
492	L	98.4	Very high	97.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.6	-179.5	-164.8	67.9	0	0	0	111.1	A403 L405 F439 V494 L507 I519 P520 M521 C522	A403-L492 HydrophobicContact CB-CD1 3.89Å; L405-L492 HydrophobicContact CD2-CD1 3.32Å; L405-L492 HydrophobicContact CD2-CD2 4.38Å; L405-L492 HydrophobicContact CD2-CG 3.81Å; F439-L492 HydrophobicContact CE1-CD2 4.49Å; L492-V494 HydrophobicContact CD2-CG2 4.01Å; L492-V494 HydrophobicContact CG-CG2 4.08Å; L492-L507 HydrophobicContact CD2-CD1 3.61Å; L492-I519 HydrophobicContact CB-CD1 4.33Å; L492-P520 PolarHBondContact N-O 3.25Å; L492-M521 HydrophobicContact CB-CB 4.46Å; L492-M521 HydrophobicContact CB-CG 3.97Å; L492-M521 HydrophobicContact CD2-CG 4.44Å; L492-M521 HydrophobicContact CD2-SD 4.24Å; L492-M521 CarbonylContact O-C 3.48Å; L492-M521 VanDerWaalsContact O-CA 3.32Å; L492-M521 WeakPolarHBondContact O-CA 3.16Å; L492-C522 PolarHBondContact O-N 3.48Å
493	L	98.8	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.8	170.6	179.1	61.5	0	0	0	109.6	A403 I404 L405 A421 I495 C522 I524 A682 I683 L686	A403-L493 PolarHBondContact O-N 2.95Å; I404-L493 WeakPolarHBondContact CA-O 2.85Å; I404-L493 HydrophobicContact CD1-CD2 4.36Å; I404-L493 HydrophobicContact CG1-CB 4.21Å; I404-L493 HydrophobicContact CG1-CD2 4.26Å; I404-L493 HydrophobicContact CG2-CD2 4.24Å; I404-L493 HydrophobicContact CG2-CG 4.43Å; L405-L493 PolarHBondContact N-O 3.37Å; A421-L493 HydrophobicContact CB-CD2 3.56Å; L493-I495 HydrophobicContact CG-CG1 4.38Å; L493-C522 HydrophobicContact CD1-CB 3.91Å; L493-I524 HydrophobicContact CD1-CD1 3.93Å; L493-I524 HydrophobicContact CD1-CG1 4Å; L493-I524 HydrophobicContact CD2-CD1 4.48Å; L493-A682 HydrophobicContact CD1-CB 3.77Å; L493-A682 HydrophobicContact CD2-CB 4.49Å; L493-I683 HydrophobicContact CD2-CD1 4.14Å; L493-L686 HydrophobicContact CB-CD1 4.1Å
494	V	98.7	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.3	177.6	179.5	0	0	0	0	109.1	L405 V407 F439 L492 V504 C522 V523 I524	L405-V494 HydrophobicContact CD1-CG2 4.36Å; L405-V494 HydrophobicContact CD2-CG2 3.8Å; L405-V494 HydrophobicContact CG-CG2 4.03Å; V407-V494 HydrophobicContact CB-CG1 4.08Å; V407-V494 HydrophobicContact CG2-CG1 3.77Å; F439-V494 HydrophobicContact CE1-CG2 4.27Å; F439-V494 HydrophobicContact CZ-CG1 4.39Å; F439-V494 HydrophobicContact CZ-CG2 4.07Å; L492-V494 HydrophobicContact CD2-CG2 4.01Å; L492-V494 HydrophobicContact CG-CG2 4.08Å; V494-V504 HydrophobicContact CB-CG2 4Å; V494-V504 HydrophobicContact CG2-CG2 3.54Å; V494-C522 PolarHBondContact N-O 3.34Å; V494-V523 HydrophobicContact CB-CG2 4.41Å; V494-V523 CarbonylContact O-C 3.57Å; V494-V523 VanDerWaalsContact O-CA 3.25Å; V494-V523 WeakPolarHBondContact O-CA 3.27Å; V494-I524 PolarHBondContact O-N 3.15Å
495	I	98.7	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.9	174.4	-58	162.6	0	0	0	107.4	I404 L405 N406 V407 M414 A417 V418 L493 I524 A526 L539	I404-I495 HydrophobicContact CG2-CD1 4.08Å; L405-I495 PolarHBondContact O-N 2.98Å; N406-I495 CarbonylContact C-O 3.52Å; N406-I495 VanDerWaalsContact CA-O 3.22Å; N406-I495 WeakPolarHBondContact CA-O 3.15Å; N406-I495 WeakPolarHBondContact OD1-CB 3.22Å; V407-I495 PolarHBondContact N-O 2.72Å; M414-I495 HydrophobicContact CB-CG2 4.32Å; M414-I495 HydrophobicContact CG-CG2 4.01Å; A417-I495 HydrophobicContact CB-CD1 3.9Å; V418-I495 HydrophobicContact CB-CD1 4.37Å; V418-I495 HydrophobicContact CG2-CD1 3.48Å; V418-I495 VanDerWaalsContact CG2-CD1 3.48Å; L493-I495 HydrophobicContact CG-CG1 4.38Å; I495-I524 WeakPolarHBondContact CA-O 3.42Å; I495-I524 HydrophobicContact CB-CB 4.48Å; I495-I524 HydrophobicContact CG1-CB 4.06Å; I495-I524 HydrophobicContact CG1-CD1 4.16Å; I495-I524 HydrophobicContact CG1-CG1 4.49Å; I495-I524 HydrophobicContact CG2-CB 4.38Å; I495-I524 HydrophobicContact CG2-CG2 4.31Å; I495-A526 HydrophobicContact CG2-CB 3.84Å; I495-L539 HydrophobicContact CG2-CD1 4.5Å
496	G	97.8	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	172.7	-168.9	0	0	0	0	0	117.1	V407 I524 P525 A526	V407-G496 CarbonylContact O-C 3.56Å; V407-G496 WeakPolarHBondContact O-CA 3.32Å; G496-I524 PolarHBondContact N-O 2.9Å; G496-P525 CarbonylContact O-C 3.35Å; G496-P525 WeakPolarHBondContact O-CA 3.39Å; G496-A526 CarbonylContact C-O 3.42Å; G496-A526 PolarHBondContact O-N 3.48Å
497	G	97.1	Very high	97.5	Very high	2 Å²	2	18 Å²	18	2%	0.021	8%	0.077	C	C	.	.	S	Bend	trans	-80.4	-149.7	179.2	0	0	0	0	0	112.2	V407 E499 G500 Y501 A526 V532	V407-G497 PolarHBondContact O-N 2.76Å; V407-G497 VanDerWaalsContact O-N 3.13Å; G497-E499 VanDerWaalsContact C-N 3.28Å; G497-E499 PolarHBondContact O-N 2.85Å; G497-G500 PolarHBondContact O-N 3.42Å; G497-Y501 PolarHBondContact O-N 2.92Å; G497-A526 VanDerWaalsContact CA-O 3.29Å; G497-A526 WeakPolarHBondContact CA-O 3.24Å; G497-A526 PolarHBondContact N-O 3.41Å; G497-V532 VanDerWaalsContact C-CG2 3.5Å
498	F	97.9	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.8	-38.9	179.9	-164.4	-87.8	0	0	0	112.7	G500 Y501 E502 P533 T729 F731 R734	F498-G500 VanDerWaalsContact C-N 3.27Å; F498-G500 PolarHBondContact O-N 3.44Å; F498-Y501 HydrophobicContact CD2-CD1 4.47Å; F498-Y501 HydrophobicContact CE2-CD1 4.29Å; F498-Y501 HydrophobicContact CE2-CE1 4.47Å; F498-Y501 HydrophobicContact CZ-CD1 4.43Å; F498-Y501 HydrophobicContact CZ-CE1 4.45Å; F498-Y501 PolarHBondContact O-N 2.92Å; F498-E502 HydrophobicContact CD1-CB 4.41Å; F498-E502 HydrophobicContact CE1-CB 4.35Å; F498-E502 WeakPolarHBondContact O-CB 3.38Å; F498-E502 PolarHBondContact O-N 2.84Å; F498-P533 HydrophobicContact CE2-CG 4.42Å; F498-T729 HydrophobicContact CE2-CG2 3.62Å; F498-T729 HydrophobicContact CZ-CG2 3.49Å; F498-T729 VanDerWaalsContact CZ-CG2 3.49Å; F498-F731 HydrophobicContact CE1-CD1 4.02Å; F498-F731 AromaticContact CZ-CD1 3.84Å; F498-F731 HydrophobicContact CZ-CD1 3.84Å; F498-F731 HydrophobicContact CZ-CE1 4.24Å; F498-F731 HydrophobicContact CZ-CG 4.45Å; F498-R734 HydrophobicContact CB-CB 4.43Å; F498-R734 HydrophobicContact CD1-CB 3.74Å; F498-R734 HydrophobicContact CD1-CG 3.83Å; F498-R734 VanDerWaalsContact CD2-C 3.49Å; F498-R734 HydrophobicContact CD2-CB 3.97Å; F498-R734 WeakPolarHBondContact CD2-O 3.39Å; F498-R734 HydrophobicContact CE1-CB 3.9Å; F498-R734 HydrophobicContact CE1-CG 3.83Å; F498-R734 HydrophobicContact CE2-CB 4.12Å; F498-R734 HydrophobicContact CG-CB 3.78Å; F498-R734 HydrophobicContact CG-CG 4.38Å; F498-R734 HydrophobicContact CZ-CB 4.09Å; F498-R734 HydrophobicContact CZ-CG 4.38Å
499	E	97.6	Very high	97.6	Very high	10 Å²	10	12.6 Å²	12.6	5%	0.047	6%	0.06	C	C	.	.	H	α-helix	trans	-64.4	-29.1	175.4	-68.8	89.5	166	0	0	113.4	V407 R470 L472 G497 G503 R734	V407-E499 HydrophobicContact CG1-CB 3.88Å; R470-E499 HydrophobicContact CB-CG 4.08Å; R470-E499 WeakPolarHBondContact CD-OE1 3.41Å; L472-E499 HydrophobicContact CD2-CB 4.12Å; L472-E499 HydrophobicContact CD2-CG 4.38Å; G497-E499 VanDerWaalsContact C-N 3.28Å; G497-E499 PolarHBondContact O-N 2.85Å; E499-G503 WeakPolarHBondContact O-CA 3.47Å; E499-G503 PolarHBondContact O-N 2.94Å; E499-R734 IonicContact OE1-CZ 3.51Å; E499-R734 IonicContact OE1-NH1 3.74Å; E499-R734 PolarHBondContact OE1-NH1 2.97Å; E499-R734 IonicContact OE1-NH2 2.78Å; E499-R734 PolarHBondContact OE1-NH2 3.14Å; E499-R734 IonicContact OE2-CZ 3.68Å; E499-R734 IonicContact OE2-NH2 3.72Å; E499-R734 PolarHBondContact OE2-NH2 2.82Å
500	G	97.4	Very high	97.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.7	-45.4	174.3	0	0	0	0	0	111.3	G497 F498 V504	G497-G500 PolarHBondContact O-N 3.42Å; F498-G500 VanDerWaalsContact C-N 3.27Å; F498-G500 PolarHBondContact O-N 3.44Å; G500-V504 PolarHBondContact O-N 3.22Å; G500-V504 VanDerWaalsContact O-N 3.11Å
501	Y	97.8	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.8	-53.7	174	160.1	-108.8	0	0	0	112.1	G497 F498 G503 V504 Q505 P533 V709 V722 L725 K726 T729 F731	G497-Y501 PolarHBondContact O-N 2.92Å; F498-Y501 HydrophobicContact CD2-CD1 4.47Å; F498-Y501 HydrophobicContact CE2-CD1 4.29Å; F498-Y501 HydrophobicContact CE2-CE1 4.47Å; F498-Y501 HydrophobicContact CZ-CD1 4.43Å; F498-Y501 HydrophobicContact CZ-CE1 4.45Å; F498-Y501 PolarHBondContact O-N 2.92Å; Y501-G503 VanDerWaalsContact C-N 3.29Å; Y501-G503 PolarHBondContact O-N 2.8Å; Y501-V504 PolarHBondContact O-N 2.91Å; Y501-Q505 PolarHBondContact O-N 2.89Å; Y501-P533 HydrophobicContact CE1-CG 4.22Å; Y501-V709 HydrophobicContact CD2-CG2 3.62Å; Y501-V709 HydrophobicContact CE2-CG2 4.24Å; Y501-V722 HydrophobicContact CD2-CG1 4.17Å; Y501-V722 HydrophobicContact CE2-CB 4.08Å; Y501-V722 HydrophobicContact CE2-CG1 4.15Å; Y501-V722 PolarHBondContact OH-O 3.12Å; Y501-L725 HydrophobicContact CE2-CB 3.9Å; Y501-L725 HydrophobicContact CE2-CD1 4.14Å; Y501-K726 WeakPolarHBondContact OH-CA 3.29Å; Y501-K726 PolarHBondContact OH-N 3.29Å; Y501-T729 HydrophobicContact CE1-CG2 4Å; Y501-T729 PolarHBondContact OH-OG1 3.32Å; Y501-T729 VanDerWaalsContact OH-OG1 3.11Å; Y501-F731 HydrophobicContact CE1-CE1 4.05Å; Y501-F731 HydrophobicContact CE1-CZ 4.18Å
502	E	97.7	Very high	97.2	Very high	41 Å²	41	16.2 Å²	16.2	19%	0.192	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-38.3	-179.9	-173.4	-175.9	165.3	0	0	111.3	L472 F498 Q505 Q506 F731	L472-E502 WeakPolarHBondContact CD1-OE1 3.32Å; L472-E502 HydrophobicContact CD2-CB 4.12Å; L472-E502 HydrophobicContact CD2-CG 4.17Å; F498-E502 HydrophobicContact CD1-CB 4.41Å; F498-E502 HydrophobicContact CE1-CB 4.35Å; F498-E502 WeakPolarHBondContact O-CB 3.38Å; F498-E502 PolarHBondContact O-N 2.84Å; E502-Q505 WeakPolarHBondContact O-CB 3.36Å; E502-Q505 PolarHBondContact O-N 3.06Å; E502-Q506 WeakPolarHBondContact O-CG 3.05Å; E502-Q506 PolarHBondContact O-N 3.44Å; E502-Q506 PolarHBondContact OE1-NE2 2.93Å; E502-F731 HydrophobicContact CG-CE1 4.46Å
503	G	97.5	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-45.2	176.7	0	0	0	0	0	112.9	P473 E499 Y501 Q505 Q506 L507	P473-G503 VanDerWaalsContact CD-CA 3.48Å; P473-G503 VanDerWaalsContact CG-O 3.32Å; P473-G503 WeakPolarHBondContact CG-O 3.2Å; E499-G503 WeakPolarHBondContact O-CA 3.47Å; E499-G503 PolarHBondContact O-N 2.94Å; Y501-G503 VanDerWaalsContact C-N 3.29Å; Y501-G503 PolarHBondContact O-N 2.8Å; G503-Q505 VanDerWaalsContact C-N 3.31Å; G503-Q505 PolarHBondContact O-N 3.04Å; G503-Q506 PolarHBondContact O-N 3.3Å; G503-L507 WeakPolarHBondContact O-CG 3.31Å; G503-L507 PolarHBondContact O-N 3.34Å
504	V	97.9	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-34.8	175.2	172.4	0	0	0	0	111.7	V494 G500 Y501 L507 Y508 M521 V523 A707 V722	V494-V504 HydrophobicContact CB-CG2 4Å; V494-V504 HydrophobicContact CG2-CG2 3.54Å; G500-V504 PolarHBondContact O-N 3.22Å; G500-V504 VanDerWaalsContact O-N 3.11Å; Y501-V504 PolarHBondContact O-N 2.91Å; V504-L507 PolarHBondContact O-N 3.2Å; V504-Y508 WeakPolarHBondContact O-CB 3.33Å; V504-Y508 PolarHBondContact O-N 2.95Å; V504-M521 HydrophobicContact CG1-CB 3.8Å; V504-M521 HydrophobicContact CG1-SD 4.18Å; V504-V523 HydrophobicContact CB-CG2 3.6Å; V504-V523 HydrophobicContact CG1-CG2 4Å; V504-V523 HydrophobicContact CG2-CG2 3.4Å; V504-A707 HydrophobicContact CG1-CB 4.41Å; V504-V722 HydrophobicContact CG1-CG1 4.1Å
505	Q	97.3	Very high	96.7	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-44.7	172.2	-172.3	-157.2	-23.8	0	0	111.6	Y501 E502 G503 Y508 E509 V722 K726	Y501-Q505 PolarHBondContact O-N 2.89Å; E502-Q505 WeakPolarHBondContact O-CB 3.36Å; E502-Q505 PolarHBondContact O-N 3.06Å; G503-Q505 VanDerWaalsContact C-N 3.31Å; G503-Q505 PolarHBondContact O-N 3.04Å; Q505-Y508 WeakPolarHBondContact O-CB 3.29Å; Q505-Y508 PolarHBondContact O-N 3.04Å; Q505-E509 PolarHBondContact NE2-OE1 3.41Å; Q505-E509 WeakPolarHBondContact O-CG 3.11Å; Q505-E509 PolarHBondContact O-N 3.28Å; Q505-V722 HydrophobicContact CB-CB 4.37Å; Q505-V722 HydrophobicContact CB-CG2 4.42Å; Q505-K726 VanDerWaalsContact NE2-CE 3.31Å
506	Q	97.3	Very high	96.5	Very high	35 Å²	35	34.3 Å²	34.3	16%	0.164	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-41.8	176.3	-71.6	175.2	8.9	0	0	112.1	P473 A474 E502 G503 Y508 E509 A510	P473-Q506 HydrophobicContact CG-CB 4.05Å; A474-Q506 VanDerWaalsContact N-OE1 3.12Å; E502-Q506 WeakPolarHBondContact O-CG 3.05Å; E502-Q506 PolarHBondContact O-N 3.44Å; E502-Q506 PolarHBondContact OE1-NE2 2.93Å; G503-Q506 PolarHBondContact O-N 3.3Å; Q506-Y508 VanDerWaalsContact C-N 3.33Å; Q506-E509 PolarHBondContact O-N 3.26Å; Q506-A510 WeakPolarHBondContact O-CB 3.4Å; Q506-A510 PolarHBondContact O-N 3.26Å
507	L	97.8	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-39.9	174.7	-67	177.2	0	0	0	111.8	F439 P473 M477 I480 L492 G503 V504 A510 R511 L517 M521	F439-L507 HydrophobicContact CD1-CD1 4.47Å; F439-L507 HydrophobicContact CE1-CD1 3.72Å; F439-L507 HydrophobicContact CZ-CD1 4.39Å; P473-L507 HydrophobicContact CB-CD2 3.79Å; P473-L507 HydrophobicContact CB-CG 4.19Å; P473-L507 HydrophobicContact CG-CD2 4.12Å; P473-L507 HydrophobicContact CG-CG 4Å; M477-L507 HydrophobicContact CE-CD2 4.21Å; M477-L507 HydrophobicContact SD-CD2 3.69Å; I480-L507 HydrophobicContact CG2-CD2 4.27Å; L492-L507 HydrophobicContact CD2-CD1 3.61Å; G503-L507 WeakPolarHBondContact O-CG 3.31Å; G503-L507 PolarHBondContact O-N 3.34Å; V504-L507 PolarHBondContact O-N 3.2Å; L507-A510 PolarHBondContact O-N 3.18Å; L507-R511 PolarHBondContact O-N 2.87Å; L507-L517 HydrophobicContact CD2-CD1 4.35Å; L507-L517 HydrophobicContact CD2-CD2 4.08Å; L507-M521 HydrophobicContact CB-CE 4.09Å; L507-M521 HydrophobicContact CB-SD 3.76Å; L507-M521 HydrophobicContact CD1-SD 4.02Å
508	Y	96.8	Very high	96.3	Very high	41 Å²	41	34.4 Å²	34.4	16%	0.161	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-47.1	176.1	176.5	-86.8	0	0	0	111.7	V504 Q505 Q506 A510 R511 P704 A707 V722 T723	V504-Y508 WeakPolarHBondContact O-CB 3.33Å; V504-Y508 PolarHBondContact O-N 2.95Å; Q505-Y508 WeakPolarHBondContact O-CB 3.29Å; Q505-Y508 PolarHBondContact O-N 3.04Å; Q506-Y508 VanDerWaalsContact C-N 3.33Å; Y508-A510 PolarHBondContact O-N 3.42Å; Y508-R511 VanDerWaalsContact O-CB 3.25Å; Y508-R511 WeakPolarHBondContact O-CB 3.3Å; Y508-R511 WeakPolarHBondContact O-CG 3.43Å; Y508-R511 PolarHBondContact O-N 3.12Å; Y508-R511 VanDerWaalsContact O-N 3.11Å; Y508-P704 WeakPolarHBondContact OH-CA 3.42Å; Y508-P704 WeakPolarHBondContact OH-CG 3.33Å; Y508-A707 HydrophobicContact CD2-CB 3.48Å; Y508-A707 VanDerWaalsContact CD2-CB 3.48Å; Y508-A707 HydrophobicContact CE2-CB 4.25Å; Y508-A707 HydrophobicContact CG-CB 4.2Å; Y508-V722 HydrophobicContact CG-CG2 4.27Å; Y508-T723 HydrophobicContact CD1-CG2 3.65Å; Y508-T723 HydrophobicContact CE1-CG2 3.2Å
509	E	95.8	Very high	96.3	Very high	94 Å²	94	34.9 Å²	34.9	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-62.8	-29.7	178	-71.1	174.5	179.7	0	0	111.8	Q505 Q506 R511 K726	Q505-E509 PolarHBondContact NE2-OE1 3.41Å; Q505-E509 WeakPolarHBondContact O-CG 3.11Å; Q505-E509 PolarHBondContact O-N 3.28Å; Q506-E509 PolarHBondContact O-N 3.26Å; E509-R511 VanDerWaalsContact C-N 3.32Å; E509-R511 PolarHBondContact O-N 3.28Å; E509-K726 IonicContact OE1-NZ 3Å; E509-K726 PolarHBondContact OE1-NZ 3.46Å
510	A	96.4	Very high	96.3	Very high	12 Å²	12	34.4 Å²	34.4	10%	0.099	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-77	-9.8	176.6	0	0	0	0	0	114.5	M477 Q506 L507 Y508 G512 H513 F514 L517	M477-A510 HydrophobicContact CE-CB 3.69Å; M477-A510 HydrophobicContact CG-CB 4.36Å; M477-A510 HydrophobicContact SD-CB 3.82Å; Q506-A510 WeakPolarHBondContact O-CB 3.4Å; Q506-A510 PolarHBondContact O-N 3.26Å; L507-A510 PolarHBondContact O-N 3.18Å; Y508-A510 PolarHBondContact O-N 3.42Å; A510-G512 PolarHBondContact O-N 2.89Å; A510-G512 VanDerWaalsContact O-N 3.13Å; A510-H513 PolarHBondContact O-N 3.39Å; A510-F514 HydrophobicContact CB-CD2 4.22Å; A510-F514 PolarHBondContact O-N 3.42Å; A510-F514 VanDerWaalsContact O-N 3.11Å; A510-L517 HydrophobicContact CB-CD1 3.56Å
511	R	95.2	Very high	96.4	Very high	18 Å²	18	34.4 Å²	34.4	7%	0.068	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-56.2	-28.8	176.7	-74.1	176.9	170.6	179.2	-3.5	113.9	L507 Y508 E509 H513 L517 I519 A701 S703 T706	L507-R511 PolarHBondContact O-N 2.87Å; Y508-R511 VanDerWaalsContact O-CB 3.25Å; Y508-R511 WeakPolarHBondContact O-CB 3.3Å; Y508-R511 WeakPolarHBondContact O-CG 3.43Å; Y508-R511 PolarHBondContact O-N 3.12Å; Y508-R511 VanDerWaalsContact O-N 3.11Å; E509-R511 VanDerWaalsContact C-N 3.32Å; E509-R511 PolarHBondContact O-N 3.28Å; R511-H513 PolarHBondContact O-N 3.12Å; R511-L517 HydrophobicContact CG-CB 3.94Å; R511-L517 WeakPolarHBondContact CG-O 3.29Å; R511-L517 PolarHBondContact NE-O 3.31Å; R511-I519 PolarHBondContact NH2-O 3.08Å; R511-A701 PolarHBondContact NE-O 3.26Å; R511-A701 PolarHBondContact NH1-O 3.01Å; R511-A701 VanDerWaalsContact NH1-O 3.09Å; R511-A701 PolarHBondContact NH2-O 3.07Å; R511-S703 PolarHBondContact NH1-O 3.41Å; R511-T706 PolarHBondContact NH1-OG1 2.94Å; R511-T706 PolarHBondContact NH2-OG1 3.33Å; R511-T706 VanDerWaalsContact NH2-OG1 3.11Å
512	G	92.3	Very high	96.4	Very high	75 Å²	75	34.4 Å²	34.4	77%	0.773	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-68.1	-15.8	176.4	0	0	0	0	0	114.3	A510	A510-G512 PolarHBondContact O-N 2.89Å; A510-G512 VanDerWaalsContact O-N 3.13Å
513	H	94.4	Very high	96.4	Very high	158 Å²	158	32.5 Å²	32.5	73%	0.731	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-24.1	-178.7	-60.5	88.1	0	0	0	112.8	A510 R511	A510-H513 PolarHBondContact O-N 3.39Å; R511-H513 PolarHBondContact O-N 3.12Å
514	F	95.6	Very high	96.5	Very high	55 Å²	55	32.5 Å²	32.5	24%	0.241	17%	0.174	C	C	.	.			trans	-132.8	111	-175.6	-56	-77	0	0	0	111.1	M477 E478 V481 A510 E516 L517	M477-F514 HydrophobicContact CG-CD2 4.08Å; M477-F514 HydrophobicContact CG-CE2 3.65Å; M477-F514 HydrophobicContact CG-CZ 4.34Å; E478-F514 HydrophobicContact CG-CZ 4.38Å; V481-F514 HydrophobicContact CB-CD1 4.34Å; V481-F514 HydrophobicContact CG1-CB 4.32Å; V481-F514 HydrophobicContact CG1-CD1 3.94Å; V481-F514 HydrophobicContact CG1-CG 4.38Å; V481-F514 HydrophobicContact CG2-CB 3.8Å; V481-F514 HydrophobicContact CG2-CD1 3.93Å; V481-F514 HydrophobicContact CG2-CD2 4.19Å; V481-F514 HydrophobicContact CG2-CG 3.71Å; A510-F514 HydrophobicContact CB-CD2 4.22Å; A510-F514 PolarHBondContact O-N 3.42Å; A510-F514 VanDerWaalsContact O-N 3.11Å; F514-E516 PolarHBondContact O-N 3.32Å; F514-L517 HydrophobicContact CB-CD1 4Å; F514-L517 HydrophobicContact CB-CG 4.02Å; F514-L517 HydrophobicContact CD2-CD1 4.18Å; F514-L517 HydrophobicContact CG-CD1 4.48Å; F514-L517 PolarHBondContact O-N 2.99Å
515	D	93.5	Very high	96.5	Very high	82 Å²	82	32.5 Å²	32.5	44%	0.439	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-61.5	-30.9	179	-103.1	25.8	0	0	0	111.8	L517 C518 R698	D515-L517 PolarHBondContact O-N 2.95Å; D515-C518 VanDerWaalsContact O-CB 3.24Å; D515-C518 WeakPolarHBondContact O-CB 3.42Å; D515-C518 PolarHBondContact O-N 3.25Å; D515-R698 IonicContact OD2-CZ 3.67Å; D515-R698 IonicContact OD2-NH1 3.03Å; D515-R698 PolarHBondContact OD2-NH1 2.88Å; D515-R698 IonicContact OD2-NH2 3.32Å; D515-R698 PolarHBondContact OD2-NH2 3.47Å
516	E	94.5	Very high	96.6	Very high	87 Å²	87	32 Å²	32	41%	0.407	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.5	-23.5	179.6	-62	79.6	-177.3	0	0	112.7	V481 I484 F514 C518	V481-E516 HydrophobicContact CG1-CB 3.93Å; V481-E516 HydrophobicContact CG1-CG 3.89Å; V481-E516 WeakPolarHBondContact CG1-OE2 3.16Å; I484-E516 HydrophobicContact CG2-CB 4.14Å; F514-E516 PolarHBondContact O-N 3.32Å; E516-C518 VanDerWaalsContact C-N 3.3Å
517	L	96.3	Very high	96.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-84.2	-5.1	177.1	-59.9	-179.6	0	0	0	112.9	M477 V481 I484 L507 A510 R511 F514 D515 I519	M477-L517 HydrophobicContact SD-CD1 3.81Å; V481-L517 HydrophobicContact CG2-CD1 4.04Å; V481-L517 HydrophobicContact CG2-CD2 3.96Å; V481-L517 HydrophobicContact CG2-CG 3.88Å; I484-L517 HydrophobicContact CD1-CD2 3.61Å; L507-L517 HydrophobicContact CD2-CD1 4.35Å; L507-L517 HydrophobicContact CD2-CD2 4.08Å; A510-L517 HydrophobicContact CB-CD1 3.56Å; R511-L517 HydrophobicContact CG-CB 3.94Å; R511-L517 WeakPolarHBondContact CG-O 3.29Å; R511-L517 PolarHBondContact NE-O 3.31Å; F514-L517 HydrophobicContact CB-CD1 4Å; F514-L517 HydrophobicContact CB-CG 4.02Å; F514-L517 HydrophobicContact CD2-CD1 4.18Å; F514-L517 HydrophobicContact CG-CD1 4.48Å; F514-L517 PolarHBondContact O-N 2.99Å; D515-L517 PolarHBondContact O-N 2.95Å; L517-I519 PolarHBondContact O-N 2.82Å
518	C	96.1	Very high	96.6	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.02	17%	0.17	C	C	.	.			trans	-75.7	52.8	173.3	-63.7	0	0	0	0	111.2	D515 E516 F700 A701	D515-C518 VanDerWaalsContact O-CB 3.24Å; D515-C518 WeakPolarHBondContact O-CB 3.42Å; D515-C518 PolarHBondContact O-N 3.25Å; E516-C518 VanDerWaalsContact C-N 3.3Å; C518-F700 HydrophobicContact CB-CD2 3.68Å; C518-F700 HydrophobicContact CB-CE2 3.73Å; C518-F700 HydrophobicContact CB-CG 4.3Å; C518-F700 HydrophobicContact CB-CZ 4.38Å; C518-F700 CarbonylContact O-C 3.36Å; C518-F700 WeakPolarHBondContact O-CA 3.34Å; C518-A701 CarbonylContact C-O 3.59Å; C518-A701 WeakPolarHBondContact CA-O 3.49Å; C518-A701 PolarHBondContact O-N 3.18Å
519	I	96.9	Very high	96.6	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.046	17%	0.167	C	C	.	.	S	Bend	trans	-118.6	151	175.6	56.3	170	0	0	0	110.1	I484 I489 T490 L492 R511 L517 M521	I484-I519 HydrophobicContact CG2-CD1 4.43Å; I489-I519 HydrophobicContact CG2-CD1 4.15Å; T490-I519 VanDerWaalsContact O-CB 3.3Å; T490-I519 WeakPolarHBondContact O-CB 3.32Å; T490-I519 WeakPolarHBondContact O-CG2 3.4Å; L492-I519 HydrophobicContact CB-CD1 4.33Å; R511-I519 PolarHBondContact NH2-O 3.08Å; L517-I519 PolarHBondContact O-N 2.82Å; I519-M521 HydrophobicContact CG1-CG 4.42Å; I519-M521 PolarHBondContact O-N 3.42Å
520	P	98.1	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.			trans	-59.8	133.8	172.2	-25.2	35.8	0	0	0	112	T490 A491 L492 L686 R689 L690 V699 A701 T706	T490-P520 WeakPolarHBondContact O-CD 3.36Å; A491-P520 WeakPolarHBondContact CA-O 3.32Å; L492-P520 PolarHBondContact N-O 3.25Å; P520-L686 HydrophobicContact CB-CD2 3.74Å; P520-R689 HydrophobicContact CB-CB 3.9Å; P520-R689 HydrophobicContact CG-CB 3.83Å; P520-L690 HydrophobicContact CG-CD2 4.38Å; P520-L690 HydrophobicContact CG-CG 4.43Å; P520-V699 HydrophobicContact CG-CG1 4.42Å; P520-A701 HydrophobicContact CG-CB 3.94Å; P520-T706 CarbonylContact C-O 3.54Å; P520-T706 VanDerWaalsContact CA-O 3.29Å; P520-T706 WeakPolarHBondContact CA-O 3.39Å
521	M	98.6	Very high	96.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.4	180	-59.2	-174.1	-92.2	0	0	110.1	L492 V504 L507 I519 T706 A707 C708	L492-M521 HydrophobicContact CB-CB 4.46Å; L492-M521 HydrophobicContact CB-CG 3.97Å; L492-M521 HydrophobicContact CD2-CG 4.44Å; L492-M521 HydrophobicContact CD2-SD 4.24Å; L492-M521 CarbonylContact O-C 3.48Å; L492-M521 VanDerWaalsContact O-CA 3.32Å; L492-M521 WeakPolarHBondContact O-CA 3.16Å; V504-M521 HydrophobicContact CG1-CB 3.8Å; V504-M521 HydrophobicContact CG1-SD 4.18Å; L507-M521 HydrophobicContact CB-CE 4.09Å; L507-M521 HydrophobicContact CB-SD 3.76Å; L507-M521 HydrophobicContact CD1-SD 4.02Å; I519-M521 HydrophobicContact CG1-CG 4.42Å; I519-M521 PolarHBondContact O-N 3.42Å; M521-T706 PolarHBondContact N-O 3.07Å; M521-A707 HydrophobicContact CB-CB 4.34Å; M521-A707 HydrophobicContact CE-CB 4.25Å; M521-A707 VanDerWaalsContact O-CA 3.28Å; M521-A707 WeakPolarHBondContact O-CA 3.31Å; M521-C708 PolarHBondContact O-N 3.43Å
522	C	98.4	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.3	177.4	-175.8	0	0	0	0	110	L492 L493 V494 W685 L686 C708	L492-C522 PolarHBondContact O-N 3.48Å; L493-C522 HydrophobicContact CD1-CB 3.91Å; V494-C522 PolarHBondContact N-O 3.34Å; C522-W685 HydrophobicContact CB-CE3 4.14Å; C522-W685 HydrophobicContact CB-CZ3 3.85Å; C522-L686 HydrophobicContact CB-CD1 4.17Å; C522-L686 HydrophobicContact CB-CD2 4.04Å; C522-L686 HydrophobicContact CB-CG 4.11Å; C522-C708 CarbonylContact C-O 3.51Å; C522-C708 WeakPolarHBondContact CA-O 3.45Å
523	V	98.7	Very high	96.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124	171.9	-177.8	0	0	0	0	109.2	V494 V504 P525 C708 V709 L710	V494-V523 HydrophobicContact CB-CG2 4.41Å; V494-V523 CarbonylContact O-C 3.57Å; V494-V523 VanDerWaalsContact O-CA 3.25Å; V494-V523 WeakPolarHBondContact O-CA 3.27Å; V504-V523 HydrophobicContact CB-CG2 3.6Å; V504-V523 HydrophobicContact CG1-CG2 4Å; V504-V523 HydrophobicContact CG2-CG2 3.4Å; V523-P525 WeakPolarHBondContact O-CD 3.48Å; V523-C708 PolarHBondContact N-O 3.42Å; V523-V709 HydrophobicContact CB-CG2 4.13Å; V523-L710 PolarHBondContact O-N 3.08Å
524	I	98.6	Very high	96.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.2	164.8	-65.9	177.9	0	0	0	107.8	A417 L493 V494 I495 G496 A526 L539 L678 A682 L710	A417-I524 HydrophobicContact CB-CD1 4.37Å; L493-I524 HydrophobicContact CD1-CD1 3.93Å; L493-I524 HydrophobicContact CD1-CG1 4Å; L493-I524 HydrophobicContact CD2-CD1 4.48Å; V494-I524 PolarHBondContact O-N 3.15Å; I495-I524 WeakPolarHBondContact CA-O 3.42Å; I495-I524 HydrophobicContact CB-CB 4.48Å; I495-I524 HydrophobicContact CG1-CB 4.06Å; I495-I524 HydrophobicContact CG1-CD1 4.16Å; I495-I524 HydrophobicContact CG1-CG1 4.49Å; I495-I524 HydrophobicContact CG2-CB 4.38Å; I495-I524 HydrophobicContact CG2-CG2 4.31Å; G496-I524 PolarHBondContact N-O 2.9Å; I524-A526 PolarHBondContact O-N 2.99Å; I524-L539 HydrophobicContact CG2-CD1 3.58Å; I524-L539 HydrophobicContact CG2-CG 4.32Å; I524-L678 HydrophobicContact CD1-CB 4.04Å; I524-L678 HydrophobicContact CG1-CB 4.38Å; I524-L678 HydrophobicContact CG2-CB 4.04Å; I524-L678 HydrophobicContact CG2-CD1 3.7Å; I524-A682 HydrophobicContact CD1-CB 3.85Å; I524-A682 HydrophobicContact CG1-CB 4.23Å; I524-L710 HydrophobicContact CG1-CD2 4.34Å
525	P	98.3	Very high	96.7	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	123.1	177	-28	38.7	0	0	0	112.8	G496 V523 V532 T535 S538 L539 V709 L710	G496-P525 CarbonylContact O-C 3.35Å; G496-P525 WeakPolarHBondContact O-CA 3.39Å; V523-P525 WeakPolarHBondContact O-CD 3.48Å; P525-V532 HydrophobicContact CB-CB 3.89Å; P525-V532 HydrophobicContact CB-CG1 3.93Å; P525-V532 HydrophobicContact CB-CG2 4.18Å; P525-V532 HydrophobicContact CG-CB 4.36Å; P525-V532 HydrophobicContact CG-CG1 3.9Å; P525-T535 HydrophobicContact CB-CG2 3.73Å; P525-T535 HydrophobicContact CG-CG2 3.72Å; P525-S538 WeakPolarHBondContact O-CA 3.35Å; P525-L539 PolarHBondContact O-N 2.93Å; P525-V709 HydrophobicContact CG-CG1 3.44Å; P525-V709 VanDerWaalsContact CG-CG1 3.44Å; P525-L710 WeakPolarHBondContact CD-O 3.5Å
526	A	98.2	Very high	96.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-143.8	106	-179.8	0	0	0	0	0	111.3	M414 I495 G496 G497 I524 L539	M414-A526 HydrophobicContact CE-CB 3.48Å; M414-A526 VanDerWaalsContact CE-CB 3.48Å; M414-A526 HydrophobicContact CG-CB 3.79Å; I495-A526 HydrophobicContact CG2-CB 3.84Å; G496-A526 CarbonylContact C-O 3.42Å; G496-A526 PolarHBondContact O-N 3.48Å; G497-A526 VanDerWaalsContact CA-O 3.29Å; G497-A526 WeakPolarHBondContact CA-O 3.24Å; G497-A526 PolarHBondContact N-O 3.41Å; I524-A526 PolarHBondContact O-N 2.99Å; A526-L539 CarbonylContact C-O 3.49Å; A526-L539 WeakPolarHBondContact CA-O 3.43Å; A526-L539 HydrophobicContact CB-CB 3.88Å; A526-L539 HydrophobicContact CB-CD1 4.44Å
527	T	97.8	Very high	96.6	Very high	13 Å²	13	7.5 Å²	7.5	8%	0.08	5%	0.045	C	C	.	.			trans	-168	145.7	-178.2	171.3	0	0	0	0	109.5	S529 N531 V532 S538 L539	T527-S529 PolarHBondContact O-N 3.23Å; T527-S529 PolarHBondContact OG1-N 2.82Å; T527-S529 VanDerWaalsContact OG1-N 3.12Å; T527-N531 WeakPolarHBondContact CG2-OD1 3.21Å; T527-N531 PolarHBondContact OG1-OD1 2.92Å; T527-V532 HydrophobicContact CG2-CG2 3.83Å; T527-S538 VanDerWaalsContact CG2-OG 3.31Å; T527-S538 WeakPolarHBondContact CG2-OG 3.5Å; T527-S538 PolarHBondContact O-OG 2.89Å; T527-L539 CarbonylContact C-O 3.55Å; T527-L539 PolarHBondContact N-O 3.03Å
528	I	97.1	Very high	96.6	Very high	10 Å²	10	7.4 Å²	7.4	5%	0.051	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.5	173.1	66.3	170.5	0	0	0	112.9	A544 M572 Q662 Q663	I528-A544 HydrophobicContact CB-CB 3.58Å; I528-A544 HydrophobicContact CG2-CB 3.77Å; I528-M572 HydrophobicContact CD1-CB 4.05Å; I528-M572 HydrophobicContact CD1-CE 4.27Å; I528-M572 HydrophobicContact CD1-SD 3.92Å; I528-Q662 HydrophobicContact CD1-CB 4.49Å; I528-Q663 HydrophobicContact CD1-CG 4.29Å; I528-Q663 HydrophobicContact CG2-CG 4.38Å
529	S	96.9	Very high	96.7	Very high	15 Å²	15	7.3 Å²	7.3	11%	0.105	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-16	-171.1	-49	0	0	0	0	112.8	T527 N531 G573 C576	T527-S529 PolarHBondContact O-N 3.23Å; T527-S529 PolarHBondContact OG1-N 2.82Å; T527-S529 VanDerWaalsContact OG1-N 3.12Å; S529-N531 PolarHBondContact O-N 2.99Å; S529-G573 WeakPolarHBondContact OG-CA 3.48Å; S529-C576 PolarHBondContact O-SG 2.88Å
530	N	97	Very high	96.7	Very high	5 Å²	5	6.9 Å²	6.9	3%	0.027	4%	0.041	C	C	.	.			trans	51	43.5	-172.5	-158.6	28.8	0	0	0	113.6	D536 F537 S538 A541 Y578	N530-D536 PolarHBondContact ND2-O 2.81Å; N530-D536 PolarHBondContact OD1-O 3.31Å; N530-F537 WeakPolarHBondContact OD1-CA 3.11Å; N530-S538 VanDerWaalsContact CA-OG 3.29Å; N530-S538 WeakPolarHBondContact CA-OG 3.3Å; N530-S538 PolarHBondContact OD1-N 2.89Å; N530-S538 PolarHBondContact OD1-OG 3.4Å; N530-A541 HydrophobicContact CB-CB 4.21Å; N530-Y578 HydrophobicContact CB-CD1 3.42Å; N530-Y578 VanDerWaalsContact CB-CD1 3.42Å; N530-Y578 HydrophobicContact CB-CD2 4.34Å; N530-Y578 HydrophobicContact CB-CE1 3.84Å; N530-Y578 HydrophobicContact CB-CG 3.7Å
531	N	96.6	Very high	96.7	Very high	12 Å²	12	6.9 Å²	6.9	6%	0.064	4%	0.042	C	C	.	.			trans	-109.3	14.5	-172.6	71.3	-40.8	0	0	0	113.8	T527 S529 C576 R734 M735 P736	T527-N531 WeakPolarHBondContact CG2-OD1 3.21Å; T527-N531 PolarHBondContact OG1-OD1 2.92Å; S529-N531 PolarHBondContact O-N 2.99Å; N531-C576 HydrophobicContact CB-CB 3.8Å; N531-R734 PolarHBondContact ND2-O 3.48Å; N531-M735 HydrophobicContact CB-CB 4.39Å; N531-P736 WeakPolarHBondContact O-CD 3.42Å
532	V	96.5	Very high	96.7	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	5%	0.045	C	C	.	.			trans	-90.6	125.6	177.3	-177.6	0	0	0	0	109.3	G497 P525 T527	G497-V532 VanDerWaalsContact C-CG2 3.5Å; P525-V532 HydrophobicContact CB-CB 3.89Å; P525-V532 HydrophobicContact CB-CG1 3.93Å; P525-V532 HydrophobicContact CB-CG2 4.18Å; P525-V532 HydrophobicContact CG-CB 4.36Å; P525-V532 HydrophobicContact CG-CG1 3.9Å; T527-V532 HydrophobicContact CG2-CG2 3.83Å
533	P	95.2	Very high	96.7	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	150	175.6	-22.5	33	0	0	0	113.3	F498 Y501 L725 T729 P736	F498-P533 HydrophobicContact CE2-CG 4.42Å; Y501-P533 HydrophobicContact CE1-CG 4.22Å; P533-L725 HydrophobicContact CB-CB 4.31Å; P533-L725 HydrophobicContact CB-CD2 4.26Å; P533-T729 HydrophobicContact CG-CG2 4Å; P533-T729 VanDerWaalsContact CG-OG1 3.24Å; P533-T729 WeakPolarHBondContact CG-OG1 3.39Å; P533-P736 HydrophobicContact CB-CB 4.3Å; P533-P736 HydrophobicContact CG-CB 4.3Å
534	G	92.3	Very high	96.7	Very high	16 Å²	16	7.9 Å²	7.9	17%	0.165	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	1.7	173.7	0	0	0	0	0	115.5	G711 N713 L725	G534-G711 WeakPolarHBondContact O-CA 3.49Å; G534-N713 PolarHBondContact O-ND2 2.86Å; G534-N713 PolarHBondContact O-OD1 2.9Å; G534-L725 VanDerWaalsContact CA-CD2 3.47Å
535	T	94.1	Very high	96.6	Very high	17 Å²	17	8 Å²	8	10%	0.104	5%	0.048	C	C	.	.			trans	-140.7	148.1	173.6	-164.8	0	0	0	0	112.9	P525 F537 G711 L712	P525-T535 HydrophobicContact CB-CG2 3.73Å; P525-T535 HydrophobicContact CG-CG2 3.72Å; T535-F537 PolarHBondContact OG1-N 2.95Å; T535-F537 PolarHBondContact OG1-O 2.88Å; T535-G711 WeakPolarHBondContact OG1-CA 3.34Å; T535-L712 PolarHBondContact OG1-N 2.91Å; T535-L712 PolarHBondContact OG1-O 3.12Å
536	D	92.9	Very high	96.6	Very high	23 Å²	23	8.3 Å²	8.3	12%	0.123	5%	0.05	C	C	.	.	S	Bend	trans	-74.5	-27.7	169.7	-72.7	-21.6	0	0	0	112.9	N341 N530 L712 R714 W740	N341-D536 PolarHBondContact ND2-OD2 3.36Å; N530-D536 PolarHBondContact ND2-O 2.81Å; N530-D536 PolarHBondContact OD1-O 3.31Å; D536-L712 WeakPolarHBondContact CB-O 3.37Å; D536-L712 PolarHBondContact N-O 3.44Å; D536-R714 PolarHBondContact OD2-N 3.27Å; D536-W740 HydrophobicContact CB-CG 4.46Å; D536-W740 VanDerWaalsContact CG-CD1 3.5Å; D536-W740 PolarHBondContact O-NE1 2.75Å
537	F	94	Very high	96.6	Very high	29 Å²	29	9.5 Å²	9.5	13%	0.127	6%	0.059	C	C	.	.			trans	-141.8	123.6	-176.1	-63.6	-84.1	0	0	0	111.4	N341 N530 T535 F674 L712 W740	N341-F537 HydrophobicContact CB-CE2 4.29Å; N341-F537 HydrophobicContact CB-CZ 4.38Å; N530-F537 WeakPolarHBondContact OD1-CA 3.11Å; T535-F537 PolarHBondContact OG1-N 2.95Å; T535-F537 PolarHBondContact OG1-O 2.88Å; F537-F674 HydrophobicContact CB-CE1 4.14Å; F537-F674 WeakPolarHBondContact O-CE1 3.41Å; F537-L712 HydrophobicContact CD2-CD2 4.09Å; F537-W740 HydrophobicContact CD1-CZ2 4.41Å; F537-W740 HydrophobicContact CE1-CH2 4.21Å; F537-W740 AromaticContact CE1-CZ2 3.57Å; F537-W740 HydrophobicContact CE1-CZ2 3.57Å; F537-W740 HydrophobicContact CE2-CZ2 4.18Å; F537-W740 AromaticContact CZ-CH2 3.93Å; F537-W740 HydrophobicContact CZ-CH2 3.93Å; F537-W740 AromaticContact CZ-CZ2 3.42Å; F537-W740 HydrophobicContact CZ-CZ2 3.42Å; F537-W740 VanDerWaalsContact CZ-CZ2 3.42Å
538	S	96.9	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.055	C	C	.	.			trans	-91.4	152.4	165.1	58.4	0	0	0	0	112	P525 T527 N530 G540 A541	P525-S538 WeakPolarHBondContact O-CA 3.35Å; T527-S538 VanDerWaalsContact CG2-OG 3.31Å; T527-S538 WeakPolarHBondContact CG2-OG 3.5Å; T527-S538 PolarHBondContact O-OG 2.89Å; N530-S538 VanDerWaalsContact CA-OG 3.29Å; N530-S538 WeakPolarHBondContact CA-OG 3.3Å; N530-S538 PolarHBondContact OD1-N 2.89Å; N530-S538 PolarHBondContact OD1-OG 3.4Å; S538-G540 PolarHBondContact O-N 3.45Å; S538-A541 VanDerWaalsContact O-CB 3.24Å; S538-A541 WeakPolarHBondContact O-CB 3.43Å; S538-A541 PolarHBondContact O-N 3.19Å
539	L	97.9	Very high	96.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-58.3	134.2	171.5	-62.8	175.2	0	0	0	111	A411 G412 A417 I495 I524 P525 A526 T527 A541 F674 G675 L678	A411-L539 WeakPolarHBondContact CB-O 3.24Å; G412-L539 CarbonylContact O-C 3.58Å; A417-L539 HydrophobicContact CB-CD1 3.87Å; I495-L539 HydrophobicContact CG2-CD1 4.5Å; I524-L539 HydrophobicContact CG2-CD1 3.58Å; I524-L539 HydrophobicContact CG2-CG 4.32Å; P525-L539 PolarHBondContact O-N 2.93Å; A526-L539 CarbonylContact C-O 3.49Å; A526-L539 WeakPolarHBondContact CA-O 3.43Å; A526-L539 HydrophobicContact CB-CB 3.88Å; A526-L539 HydrophobicContact CB-CD1 4.44Å; T527-L539 CarbonylContact C-O 3.55Å; T527-L539 PolarHBondContact N-O 3.03Å; L539-A541 VanDerWaalsContact C-N 3.34Å; L539-F674 HydrophobicContact CD2-CB 4.08Å; L539-F674 HydrophobicContact CD2-CD1 3.5Å; L539-F674 VanDerWaalsContact CD2-CD1 3.5Å; L539-F674 HydrophobicContact CD2-CE1 4.22Å; L539-F674 HydrophobicContact CD2-CG 4.02Å; L539-F674 HydrophobicContact CG-CD1 4.46Å; L539-G675 VanDerWaalsContact CD2-CA 3.4Å; L539-G675 VanDerWaalsContact CD2-N 3.25Å; L539-L678 HydrophobicContact CD1-CD1 4.43Å; L539-L678 HydrophobicContact CD2-CD1 4.19Å; L539-L678 HydrophobicContact CG-CD1 4.18Å
540	G	97.4	Very high	96.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-8.2	178	0	0	0	0	0	113.8	G412 S538 A544 D671	G412-G540 VanDerWaalsContact O-CA 3.22Å; G412-G540 WeakPolarHBondContact O-CA 3.39Å; G412-G540 PolarHBondContact O-N 3.09Å; S538-G540 PolarHBondContact O-N 3.45Å; G540-A544 VanDerWaalsContact O-CB 3.28Å; G540-A544 WeakPolarHBondContact O-CB 3.47Å; G540-A544 PolarHBondContact O-N 3.46Å; G540-D671 WeakPolarHBondContact CA-OD2 3.39Å; G540-D671 PolarHBondContact N-OD1 3.26Å; G540-D671 PolarHBondContact N-OD2 3.48Å
541	A	97.4	Very high	96.7	Very high	1 Å²	1	13 Å²	13	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-64	-45.5	176.9	0	0	0	0	0	111.3	N530 S538 L539 A544 V545 Y578	N530-A541 HydrophobicContact CB-CB 4.21Å; S538-A541 VanDerWaalsContact O-CB 3.24Å; S538-A541 WeakPolarHBondContact O-CB 3.43Å; S538-A541 PolarHBondContact O-N 3.19Å; L539-A541 VanDerWaalsContact C-N 3.34Å; A541-A544 PolarHBondContact O-N 3.02Å; A541-V545 WeakPolarHBondContact O-CG2 3.16Å; A541-V545 PolarHBondContact O-N 2.94Å; A541-Y578 HydrophobicContact CB-CE1 3.93Å
542	D	97.9	Very high	96.7	Very high	14 Å²	14	12.4 Å²	12.4	8%	0.075	7%	0.074	C	C	.	.	H	α-helix	trans	-68.2	-43.3	179.7	177.6	73	0	0	0	112	A544 V545 N546 S668 F670	D542-A544 PolarHBondContact O-N 2.94Å; D542-V545 PolarHBondContact O-N 3.43Å; D542-N546 PolarHBondContact O-N 2.87Å; D542-N546 PolarHBondContact O-ND2 3.02Å; D542-N546 PolarHBondContact OD1-ND2 3.41Å; D542-N546 PolarHBondContact OD2-ND2 3.13Å; D542-S668 WeakPolarHBondContact OD2-CB 3.38Å; D542-S668 PolarHBondContact OD2-OG 3.18Å; D542-F670 HydrophobicContact CB-CB 4.29Å; D542-F670 HydrophobicContact CB-CD1 3.73Å; D542-F670 HydrophobicContact CB-CE1 4.48Å; D542-F670 HydrophobicContact CB-CG 4.26Å
543	T	98.4	Very high	96.6	Very high	7 Å²	7	13.5 Å²	13.5	4%	0.043	8%	0.08	C	C	.	.	H	α-helix	trans	-54.1	-43.5	172.3	-60.6	0	0	0	0	110.9	N546 A547 S668 D671	T543-N546 PolarHBondContact O-N 2.94Å; T543-A547 WeakPolarHBondContact O-CB 3.34Å; T543-A547 PolarHBondContact O-N 3.26Å; T543-S668 PolarHBondContact OG1-N 2.9Å; T543-D671 VanDerWaalsContact CB-OD2 3.24Å; T543-D671 WeakPolarHBondContact CB-OD2 3.21Å; T543-D671 PolarHBondContact N-OD2 3.12Å; T543-D671 PolarHBondContact OG1-OD2 3.5Å
544	A	98.3	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.1	-42.1	-178.7	0	0	0	0	0	113.6	I528 G540 A541 D542 N546 A547 A548 L579 Q662	I528-A544 HydrophobicContact CB-CB 3.58Å; I528-A544 HydrophobicContact CG2-CB 3.77Å; G540-A544 VanDerWaalsContact O-CB 3.28Å; G540-A544 WeakPolarHBondContact O-CB 3.47Å; G540-A544 PolarHBondContact O-N 3.46Å; A541-A544 PolarHBondContact O-N 3.02Å; D542-A544 PolarHBondContact O-N 2.94Å; A544-N546 VanDerWaalsContact C-N 3.32Å; A544-N546 PolarHBondContact O-N 3.36Å; A544-A547 PolarHBondContact O-N 2.9Å; A544-A548 WeakPolarHBondContact O-CB 3.48Å; A544-A548 PolarHBondContact O-N 3.24Å; A544-L579 HydrophobicContact CB-CD1 4.04Å; A544-L579 HydrophobicContact CB-CD2 4.49Å; A544-Q662 WeakPolarHBondContact CA-O 3.43Å; A544-Q662 WeakPolarHBondContact CB-O 3.25Å
545	V	98.3	Very high	96.7	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-41	176.7	-179	0	0	0	0	110.2	A307 I311 A541 D542 A548 M549 Y578 L579	A307-V545 HydrophobicContact CB-CB 4.25Å; A307-V545 HydrophobicContact CB-CG1 3.62Å; I311-V545 HydrophobicContact CD1-CG1 4.27Å; A541-V545 WeakPolarHBondContact O-CG2 3.16Å; A541-V545 PolarHBondContact O-N 2.94Å; D542-V545 PolarHBondContact O-N 3.43Å; V545-A548 PolarHBondContact O-N 3.11Å; V545-M549 WeakPolarHBondContact O-CB 3.19Å; V545-M549 PolarHBondContact O-N 2.93Å; V545-Y578 HydrophobicContact CG2-CE1 4Å; V545-L579 HydrophobicContact CB-CD1 4.35Å; V545-L579 HydrophobicContact CG2-CD1 3.73Å
546	N	98.5	Very high	96.5	Very high	8 Å²	8	20 Å²	20	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-48.6	174.4	-81.4	-73.7	0	0	0	111.8	A307 D542 T543 A544 A548 M549 E550	A307-N546 HydrophobicContact CB-CB 4.47Å; A307-N546 WeakPolarHBondContact CB-OD1 3.47Å; A307-N546 PolarHBondContact N-OD1 2.91Å; D542-N546 PolarHBondContact O-N 2.87Å; D542-N546 PolarHBondContact O-ND2 3.02Å; D542-N546 PolarHBondContact OD1-ND2 3.41Å; D542-N546 PolarHBondContact OD2-ND2 3.13Å; T543-N546 PolarHBondContact O-N 2.94Å; A544-N546 VanDerWaalsContact C-N 3.32Å; A544-N546 PolarHBondContact O-N 3.36Å; N546-A548 PolarHBondContact O-N 2.83Å; N546-M549 WeakPolarHBondContact O-CB 3.36Å; N546-M549 PolarHBondContact O-N 2.99Å; N546-E550 WeakPolarHBondContact O-CG 3.45Å; N546-E550 PolarHBondContact O-N 3.25Å
547	A	98.1	Very high	96.4	Very high	24 Å²	24	26 Å²	26	20%	0.198	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-43.3	178.3	0	0	0	0	0	112.4	T543 A544 G551 L661	T543-A547 WeakPolarHBondContact O-CB 3.34Å; T543-A547 PolarHBondContact O-N 3.26Å; A544-A547 PolarHBondContact O-N 2.9Å; A547-G551 PolarHBondContact O-N 3.49Å; A547-G551 VanDerWaalsContact O-N 3.13Å; A547-L661 WeakPolarHBondContact CB-O 3.18Å
548	A	98.1	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-39.9	177	0	0	0	0	0	112.3	A544 V545 N546 G551 C552 L579 T583 L658 Q662	A544-A548 WeakPolarHBondContact O-CB 3.48Å; A544-A548 PolarHBondContact O-N 3.24Å; V545-A548 PolarHBondContact O-N 3.11Å; N546-A548 PolarHBondContact O-N 2.83Å; A548-G551 PolarHBondContact O-N 3.11Å; A548-C552 WeakPolarHBondContact O-CB 3.45Å; A548-C552 PolarHBondContact O-N 3.11Å; A548-C552 PolarHBondContact O-SG 3.07Å; A548-L579 HydrophobicContact CB-CD1 4.35Å; A548-T583 HydrophobicContact CB-CG2 3.86Å; A548-T583 WeakPolarHBondContact CB-OG1 3.48Å; A548-L658 HydrophobicContact CB-CD1 3.92Å; A548-Q662 HydrophobicContact CB-CG 4.27Å
549	M	97.8	Very high	95.6	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.02	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-47.1	176	177.8	-166.2	71.8	0	0	111.6	A307 R310 V545 N546 G551 C552 D553 A586 V587	A307-M549 WeakPolarHBondContact CA-SD 3.25Å; A307-M549 HydrophobicContact CB-CE 4.28Å; A307-M549 HydrophobicContact CB-SD 3.81Å; R310-M549 VanDerWaalsContact CD-SD 3.53Å; R310-M549 PolarHBondContact NE-SD 3.43Å; V545-M549 WeakPolarHBondContact O-CB 3.19Å; V545-M549 PolarHBondContact O-N 2.93Å; N546-M549 WeakPolarHBondContact O-CB 3.36Å; N546-M549 PolarHBondContact O-N 2.99Å; M549-G551 VanDerWaalsContact C-N 3.33Å; M549-G551 PolarHBondContact O-N 2.97Å; M549-C552 WeakPolarHBondContact O-CB 3.19Å; M549-C552 PolarHBondContact O-N 3.39Å; M549-D553 PolarHBondContact O-N 3.01Å; M549-A586 HydrophobicContact CG-CB 4.16Å; M549-A586 HydrophobicContact SD-CB 4.03Å; M549-V587 HydrophobicContact CB-CG1 4.11Å; M549-V587 HydrophobicContact CG-CG1 3.76Å
550	E	96.8	Very high	94.9	Very high	95 Å²	95	29.9 Å²	29.9	44%	0.444	16%	0.161	S	C	.	.	H	α-helix	trans	-61.3	-41.3	177.5	-74.1	179.9	-165.4	0	0	112.1	N546 D553 K554	N546-E550 WeakPolarHBondContact O-CG 3.45Å; N546-E550 PolarHBondContact O-N 3.25Å; E550-D553 PolarHBondContact O-N 3.48Å; E550-K554 WeakPolarHBondContact O-CG 3.32Å; E550-K554 PolarHBondContact O-N 2.84Å
551	G	96.6	Very high	94.2	Very high	17 Å²	17	33 Å²	33	18%	0.175	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-47.7	172.8	0	0	0	0	0	111.7	A547 A548 M549 D553 K554 I555	A547-G551 PolarHBondContact O-N 3.49Å; A547-G551 VanDerWaalsContact O-N 3.13Å; A548-G551 PolarHBondContact O-N 3.11Å; M549-G551 VanDerWaalsContact C-N 3.33Å; M549-G551 PolarHBondContact O-N 2.97Å; G551-D553 PolarHBondContact O-N 3.41Å; G551-K554 PolarHBondContact O-N 3.3Å; G551-I555 WeakPolarHBondContact O-CD1 3.4Å; G551-I555 VanDerWaalsContact O-CG1 3.25Å; G551-I555 WeakPolarHBondContact O-CG1 3.4Å; G551-I555 PolarHBondContact O-N 2.81Å
552	C	96.9	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-35.8	178.2	-71.2	0	0	0	0	113.3	A548 M549 I555 K556 V587 L623	A548-C552 WeakPolarHBondContact O-CB 3.45Å; A548-C552 PolarHBondContact O-N 3.11Å; A548-C552 PolarHBondContact O-SG 3.07Å; M549-C552 WeakPolarHBondContact O-CB 3.19Å; M549-C552 PolarHBondContact O-N 3.39Å; C552-I555 PolarHBondContact O-N 2.81Å; C552-K556 WeakPolarHBondContact O-CB 3.49Å; C552-K556 PolarHBondContact O-N 3.37Å; C552-V587 HydrophobicContact CB-CB 4.17Å; C552-V587 HydrophobicContact CB-CG1 3.54Å; C552-V587 HydrophobicContact CB-CG2 4.41Å; C552-L623 HydrophobicContact CB-CD2 4.19Å
553	D	95.5	Very high	92.8	Very high	25 Å²	25	42.2 Å²	42.2	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-42.7	177.2	-80.3	-21	0	0	0	111.6	Q78 R310 M549 E550 G551 I555 K556 Q557	Q78-D553 WeakPolarHBondContact CB-OD2 3.26Å; R310-D553 IonicContact CZ-OD2 3.86Å; R310-D553 IonicContact NH1-OD1 3.83Å; R310-D553 PolarHBondContact NH1-OD1 3.31Å; R310-D553 IonicContact NH1-OD2 3.42Å; R310-D553 PolarHBondContact NH1-OD2 3.43Å; R310-D553 IonicContact NH2-OD2 3.62Å; R310-D553 PolarHBondContact NH2-OD2 2.98Å; M549-D553 PolarHBondContact O-N 3.01Å; E550-D553 PolarHBondContact O-N 3.48Å; G551-D553 PolarHBondContact O-N 3.41Å; D553-I555 VanDerWaalsContact C-N 3.34Å; D553-I555 PolarHBondContact O-N 2.91Å; D553-K556 PolarHBondContact O-N 3.41Å; D553-K556 IonicContact OD1-NZ 2.72Å; D553-Q557 PolarHBondContact O-N 2.89Å
554	K	95.1	Very high	92.3	Very high	139 Å²	139	47.9 Å²	47.9	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-61.1	-42.7	173.6	-67.7	166.9	-175	167.5	0	111.2	E550 G551 Q557 S558	E550-K554 WeakPolarHBondContact O-CG 3.32Å; E550-K554 PolarHBondContact O-N 2.84Å; G551-K554 PolarHBondContact O-N 3.3Å; K554-Q557 WeakPolarHBondContact O-CB 3.38Å; K554-Q557 PolarHBondContact O-N 2.79Å; K554-S558 PolarHBondContact O-N 3.04Å; K554-S558 VanDerWaalsContact O-N 3.15Å
555	I	93.7	Very high	92.1	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.087	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-44.6	175.9	-67.3	163.9	0	0	0	111.1	G551 C552 D553 Q557 S558 A559 F567 V569 N656 L658	G551-I555 WeakPolarHBondContact O-CD1 3.4Å; G551-I555 VanDerWaalsContact O-CG1 3.25Å; G551-I555 WeakPolarHBondContact O-CG1 3.4Å; G551-I555 PolarHBondContact O-N 2.81Å; C552-I555 PolarHBondContact O-N 2.81Å; D553-I555 VanDerWaalsContact C-N 3.34Å; D553-I555 PolarHBondContact O-N 2.91Å; I555-Q557 VanDerWaalsContact C-N 3.28Å; I555-Q557 PolarHBondContact O-N 3.15Å; I555-S558 WeakPolarHBondContact O-CB 3.46Å; I555-S558 PolarHBondContact O-N 3.18Å; I555-S558 VanDerWaalsContact O-N 3.15Å; I555-A559 PolarHBondContact O-N 2.99Å; I555-F567 HydrophobicContact CG2-CB 3.65Å; I555-F567 HydrophobicContact CG2-CD1 3.43Å; I555-F567 VanDerWaalsContact CG2-CD1 3.43Å; I555-F567 HydrophobicContact CG2-CD2 3.59Å; I555-F567 HydrophobicContact CG2-CE1 3.87Å; I555-F567 HydrophobicContact CG2-CE2 4.02Å; I555-F567 HydrophobicContact CG2-CG 3.25Å; I555-F567 HydrophobicContact CG2-CZ 4.14Å; I555-V569 HydrophobicContact CD1-CG1 4.43Å; I555-V569 HydrophobicContact CD1-CG2 3.92Å; I555-V569 HydrophobicContact CG2-CG2 4.46Å; I555-N656 HydrophobicContact CD1-CB 3.8Å; I555-L658 HydrophobicContact CD1-CD2 4.27Å
556	K	90.8	Very high	91.9	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-37.3	175.9	-98.4	169.4	67.9	-160.1	0	112.1	C552 D553 A559 S560 V587 R621 L623	C552-K556 WeakPolarHBondContact O-CB 3.49Å; C552-K556 PolarHBondContact O-N 3.37Å; D553-K556 PolarHBondContact O-N 3.41Å; D553-K556 IonicContact OD1-NZ 2.72Å; K556-A559 PolarHBondContact O-N 3.04Å; K556-S560 WeakPolarHBondContact O-CB 3.24Å; K556-S560 PolarHBondContact O-N 2.84Å; K556-S560 PolarHBondContact O-OG 3.22Å; K556-V587 PolarHBondContact NZ-O 3.07Å; K556-R621 VanDerWaalsContact CE-NH2 3.33Å; K556-L623 HydrophobicContact CD-CD2 3.77Å; K556-L623 HydrophobicContact CG-CD2 4.06Å
557	Q	89.4	Confident	91.8	Very high	150 Å²	150	50.6 Å²	50.6	70%	0.701	27%	0.269	S	S	*	.	H	α-helix	trans	-62.4	-45.9	175.1	-172.1	176.6	4.3	0	0	110.8	D553 K554 I555 A559 S560 G561	D553-Q557 PolarHBondContact O-N 2.89Å; K554-Q557 WeakPolarHBondContact O-CB 3.38Å; K554-Q557 PolarHBondContact O-N 2.79Å; I555-Q557 VanDerWaalsContact C-N 3.28Å; I555-Q557 PolarHBondContact O-N 3.15Å; Q557-A559 PolarHBondContact O-N 2.88Å; Q557-S560 PolarHBondContact O-N 2.96Å; Q557-G561 PolarHBondContact O-N 2.92Å; Q557-G561 VanDerWaalsContact O-N 3.13Å
558	S	89.1	Confident	91.8	Very high	62 Å²	62	49.5 Å²	49.5	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-44.6	174.6	-180	0	0	0	0	112.9	K554 I555 S560 G561 T562	K554-S558 PolarHBondContact O-N 3.04Å; K554-S558 VanDerWaalsContact O-N 3.15Å; I555-S558 WeakPolarHBondContact O-CB 3.46Å; I555-S558 PolarHBondContact O-N 3.18Å; I555-S558 VanDerWaalsContact O-N 3.15Å; S558-S560 VanDerWaalsContact C-N 3.29Å; S558-S560 PolarHBondContact O-N 2.88Å; S558-G561 PolarHBondContact O-N 2.95Å; S558-T562 PolarHBondContact O-N 2.98Å; S558-T562 PolarHBondContact O-OG1 2.83Å; S558-T562 VanDerWaalsContact O-OG1 3.04Å
559	A	85.6	Confident	91.8	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-38.8	175.9	0	0	0	0	0	112.5	I555 K556 Q557 G561 K563 R565 F567 R621	I555-A559 PolarHBondContact O-N 2.99Å; K556-A559 PolarHBondContact O-N 3.04Å; Q557-A559 PolarHBondContact O-N 2.88Å; A559-G561 VanDerWaalsContact C-N 3.34Å; A559-K563 PolarHBondContact O-N 3Å; A559-K563 VanDerWaalsContact O-N 3.16Å; A559-R565 HydrophobicContact CB-CB 4.45Å; A559-F567 HydrophobicContact CB-CD2 3.75Å; A559-F567 HydrophobicContact CB-CE2 3.65Å; A559-R621 HydrophobicContact CB-CB 4.26Å
560	S	83.9	Confident	91.8	Very high	46 Å²	46	51 Å²	51	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-70.6	-31.7	-178.6	-51.8	0	0	0	0	112	K556 Q557 S558 R621	K556-S560 WeakPolarHBondContact O-CB 3.24Å; K556-S560 PolarHBondContact O-N 2.84Å; K556-S560 PolarHBondContact O-OG 3.22Å; Q557-S560 PolarHBondContact O-N 2.96Å; S558-S560 VanDerWaalsContact C-N 3.29Å; S558-S560 PolarHBondContact O-N 2.88Å; S560-R621 WeakPolarHBondContact OG-CD 3.43Å; S560-R621 PolarHBondContact OG-NH1 3.41Å
561	G	82.4	Confident	91.8	Very high	66 Å²	66	46.6 Å²	46.6	68%	0.68	25%	0.246	S	C	*	.	H	α-helix	trans	-73.3	-34.1	177.7	0	0	0	0	0	114	Q557 S558 A559	Q557-G561 PolarHBondContact O-N 2.92Å; Q557-G561 VanDerWaalsContact O-N 3.13Å; S558-G561 PolarHBondContact O-N 2.95Å; A559-G561 VanDerWaalsContact C-N 3.34Å
562	T	82.1	Confident	91.9	Very high	72 Å²	72	46.9 Å²	46.9	44%	0.442	24%	0.243	S	C	.	.	H	α-helix	trans	-90.5	-18	-177.2	44.1	0	0	0	0	113.9	S558 R565	S558-T562 PolarHBondContact O-N 2.98Å; S558-T562 PolarHBondContact O-OG1 2.83Å; S558-T562 VanDerWaalsContact O-OG1 3.04Å; T562-R565 PolarHBondContact OG1-NH1 3.45Å
563	K	83.3	Confident	91.8	Very high	136 Å²	136	46.9 Å²	46.9	59%	0.591	24%	0.243	S	C	*	.	S	Bend	trans	58.9	154.2	-176.1	-59.6	177.9	177.8	-177.9	0	112.9	A559 R565 Q620	A559-K563 PolarHBondContact O-N 3Å; A559-K563 VanDerWaalsContact O-N 3.16Å; K563-R565 VanDerWaalsContact C-N 3.31Å; K563-R565 PolarHBondContact O-N 3.25Å; K563-Q620 HydrophobicContact CB-CB 4.43Å
564	R	88.8	Confident	91.8	Very high	126 Å²	126	46.5 Å²	46.5	48%	0.475	25%	0.245	S	C	.	.	S	Bend	trans	48.5	49.7	179.1	-63.1	-178.3	176.5	-171.2	0.2	112.8	Q620 V650 F651 D652	R564-Q620 WeakPolarHBondContact CA-O 3.25Å; R564-Q620 HydrophobicContact CG-CB 4.17Å; R564-Q620 HydrophobicContact CG-CG 4.36Å; R564-Q620 PolarHBondContact N-O 3.48Å; R564-V650 WeakPolarHBondContact CD-O 3.39Å; R564-F651 HydrophobicContact CB-CB 4.44Å; R564-F651 CarbonylContact O-C 3.42Å; R564-F651 WeakPolarHBondContact O-CA 3.33Å; R564-F651 VanDerWaalsContact O-CB 3.23Å; R564-F651 WeakPolarHBondContact O-CB 3.39Å; R564-D652 PolarHBondContact O-N 3.07Å
565	R	92.9	Very high	91.8	Very high	50 Å²	50	43.8 Å²	43.8	19%	0.189	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.3	-178.1	-173.5	161.9	-74.3	171.5	-3.4	112.5	A559 T562 K563 F567 R621 G622 D652	A559-R565 HydrophobicContact CB-CB 4.45Å; T562-R565 PolarHBondContact OG1-NH1 3.45Å; K563-R565 VanDerWaalsContact C-N 3.31Å; K563-R565 PolarHBondContact O-N 3.25Å; R565-F567 HydrophobicContact CG-CD2 4.07Å; R565-F567 HydrophobicContact CG-CE2 3.69Å; R565-F567 HydrophobicContact CG-CZ 4.41Å; R565-R621 WeakPolarHBondContact O-CA 3.4Å; R565-G622 PolarHBondContact O-N 3.38Å; R565-D652 CarbonylContact C-O 3.51Å; R565-D652 WeakPolarHBondContact CA-O 3.26Å; R565-D652 IonicContact CZ-OD2 2.69Å; R565-D652 IonicContact NE-OD2 3.57Å; R565-D652 PolarHBondContact NE-OD2 3.08Å; R565-D652 IonicContact NH2-OD2 3.36Å; R565-D652 PolarHBondContact NH2-OD2 2.95Å
566	V	94.8	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.4	173.3	179.8	0	0	0	0	109.1	L611 M615 G622 V624 Y643 F651 D652 C653 R654	V566-L611 HydrophobicContact CB-CD1 4.49Å; V566-L611 HydrophobicContact CG1-CD1 3.74Å; V566-L611 HydrophobicContact CG2-CD1 3.86Å; V566-M615 HydrophobicContact CG2-CE 3.4Å; V566-G622 WeakPolarHBondContact CA-O 3.46Å; V566-V624 HydrophobicContact CG1-CG2 4.15Å; V566-Y643 HydrophobicContact CG1-CD2 4.27Å; V566-F651 HydrophobicContact CB-CD2 3.93Å; V566-F651 HydrophobicContact CB-CE2 3.98Å; V566-F651 HydrophobicContact CG2-CB 4.37Å; V566-F651 HydrophobicContact CG2-CD1 4.18Å; V566-F651 HydrophobicContact CG2-CD2 3.36Å; V566-F651 HydrophobicContact CG2-CE1 4.3Å; V566-F651 HydrophobicContact CG2-CE2 3.53Å; V566-F651 HydrophobicContact CG2-CG 3.72Å; V566-F651 HydrophobicContact CG2-CZ 4Å; V566-D652 PolarHBondContact N-O 3.09Å; V566-C653 CarbonylContact O-C 3.6Å; V566-C653 WeakPolarHBondContact O-CA 3.39Å; V566-R654 PolarHBondContact O-N 2.86Å
567	F	96.6	Very high	92.3	Very high	19 Å²	19	42.4 Å²	42.4	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.6	168.6	-79.5	-92.8	0	0	0	110.7	I555 A559 R565 V569 G622 L623 V624 R654	I555-F567 HydrophobicContact CG2-CB 3.65Å; I555-F567 HydrophobicContact CG2-CD1 3.43Å; I555-F567 VanDerWaalsContact CG2-CD1 3.43Å; I555-F567 HydrophobicContact CG2-CD2 3.59Å; I555-F567 HydrophobicContact CG2-CE1 3.87Å; I555-F567 HydrophobicContact CG2-CE2 4.02Å; I555-F567 HydrophobicContact CG2-CG 3.25Å; I555-F567 HydrophobicContact CG2-CZ 4.14Å; A559-F567 HydrophobicContact CB-CD2 3.75Å; A559-F567 HydrophobicContact CB-CE2 3.65Å; R565-F567 HydrophobicContact CG-CD2 4.07Å; R565-F567 HydrophobicContact CG-CE2 3.69Å; R565-F567 HydrophobicContact CG-CZ 4.41Å; F567-V569 HydrophobicContact CB-CG2 4.22Å; F567-G622 PolarHBondContact N-O 3.33Å; F567-L623 HydrophobicContact CB-CD1 4Å; F567-V624 PolarHBondContact O-N 3.34Å; F567-R654 CarbonylContact C-O 3.55Å; F567-R654 WeakPolarHBondContact CA-O 3.39Å; F567-R654 HydrophobicContact CD1-CB 3.61Å; F567-R654 HydrophobicContact CE1-CB 3.44Å; F567-R654 VanDerWaalsContact CE1-CB 3.44Å; F567-R654 HydrophobicContact CE1-CG 4.18Å; F567-R654 HydrophobicContact CG-CB 4.33Å; F567-R654 HydrophobicContact CZ-CB 4.02Å; F567-R654 HydrophobicContact CZ-CG 4.34Å
568	V	97.3	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.7	165.1	-177.9	0	0	0	0	107	V624 T636 I639 R654 V655 N656	V568-V624 CarbonylContact C-O 3.56Å; V568-V624 WeakPolarHBondContact CA-O 3.45Å; V568-V624 HydrophobicContact CG2-CB 4.45Å; V568-T636 HydrophobicContact CG1-CG2 4.29Å; V568-I639 HydrophobicContact CG1-CG2 4.08Å; V568-I639 HydrophobicContact CG2-CG2 3.99Å; V568-R654 PolarHBondContact N-O 3.29Å; V568-V655 CarbonylContact O-C 3.31Å; V568-V655 WeakPolarHBondContact O-CA 3.38Å; V568-N656 PolarHBondContact O-N 2.89Å
569	V	98	Very high	93.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.9	-177.5	-176.2	0	0	0	0	109.5	I555 F567 L623 V624 L625 R626 N656 L658	I555-V569 HydrophobicContact CD1-CG1 4.43Å; I555-V569 HydrophobicContact CD1-CG2 3.92Å; I555-V569 HydrophobicContact CG2-CG2 4.46Å; F567-V569 HydrophobicContact CB-CG2 4.22Å; V569-L623 HydrophobicContact CG2-CD1 3.6Å; V569-V624 PolarHBondContact N-O 2.98Å; V569-L625 HydrophobicContact CB-CD1 4.01Å; V569-L625 HydrophobicContact CG2-CD1 4.48Å; V569-L625 CarbonylContact O-C 3.54Å; V569-L625 WeakPolarHBondContact O-CA 3.15Å; V569-R626 PolarHBondContact O-N 3.35Å; V569-N656 CarbonylContact C-O 3.59Å; V569-N656 VanDerWaalsContact CA-O 3.27Å; V569-N656 WeakPolarHBondContact CA-O 3.49Å; V569-N656 HydrophobicContact CG2-CB 4.45Å; V569-L658 HydrophobicContact CG1-CD1 3.78Å; V569-L658 HydrophobicContact CG1-CD2 4.08Å; V569-L658 HydrophobicContact CG1-CG 3.62Å
570	E	98.3	Very high	93.6	Very high	37 Å²	37	32.8 Å²	32.8	17%	0.173	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.7	175.3	-172.8	-179.1	110.4	0	0	110.6	R626 E628 T636 N656 V657 L658	E570-R626 CarbonylContact C-O 3.58Å; E570-R626 VanDerWaalsContact CA-O 3.29Å; E570-R626 WeakPolarHBondContact CA-O 3.33Å; E570-R626 IonicContact OE2-CZ 3.38Å; E570-R626 IonicContact OE2-NH1 3.09Å; E570-R626 PolarHBondContact OE2-NH1 2.98Å; E570-E628 HydrophobicContact CG-CB 4.42Å; E570-T636 WeakPolarHBondContact OE2-CB 3.42Å; E570-T636 PolarHBondContact OE2-OG1 3.45Å; E570-N656 PolarHBondContact N-O 3.38Å; E570-V657 HydrophobicContact CB-CB 4.39Å; E570-V657 HydrophobicContact CB-CG1 4.28Å; E570-V657 HydrophobicContact CB-CG2 4.05Å; E570-L658 PolarHBondContact O-N 3.02Å
571	T	97.8	Very high	94.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.5	174.2	63	0	0	0	0	110.5	A580 R626 E628 L658	T571-A580 VanDerWaalsContact OG1-CB 3.32Å; T571-A580 WeakPolarHBondContact OG1-CB 3.46Å; T571-R626 PolarHBondContact N-O 3.18Å; T571-R626 PolarHBondContact OG1-O 3.01Å; T571-E628 PolarHBondContact O-N 3.22Å; T571-L658 HydrophobicContact CG2-CD1 4.41Å
572	M	97.3	Very high	95	Very high	24 Å²	24	27.5 Å²	27.5	12%	0.118	13%	0.125	C	C	.	.			trans	-71	-177.5	171	-74	174.1	90.4	0	0	110.8	I528 L579 N627 G659 Q662	I528-M572 HydrophobicContact CD1-CB 4.05Å; I528-M572 HydrophobicContact CD1-CE 4.27Å; I528-M572 HydrophobicContact CD1-SD 3.92Å; M572-L579 HydrophobicContact CB-CD2 4.32Å; M572-N627 PolarHBondContact O-ND2 3.42Å; M572-G659 VanDerWaalsContact SD-O 3.35Å; M572-Q662 VanDerWaalsContact CG-NE2 3.29Å; M572-Q662 VanDerWaalsContact N-NE2 3.16Å; M572-Q662 HydrophobicContact SD-CB 4.48Å
573	G	94.6	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	10%	0.104	C	C	.	.			trans	140.8	2.7	171	0	0	0	0	0	113.7	S529 Y575 C576 E628	S529-G573 WeakPolarHBondContact OG-CA 3.48Å; G573-Y575 PolarHBondContact O-N 3.4Å; G573-C576 WeakPolarHBondContact O-CA 3.47Å; G573-C576 VanDerWaalsContact O-CB 3.31Å; G573-C576 WeakPolarHBondContact O-CB 3.46Å; G573-C576 PolarHBondContact O-N 2.84Å; G573-E628 PolarHBondContact N-OE1 2.93Å
574	G	95.8	Very high	96.4	Very high	16 Å²	16	17.6 Å²	17.6	17%	0.165	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-133.2	-165.2	0	0	0	0	0	109.8	C576 N627 E628 Y629	G574-C576 VanDerWaalsContact C-N 3.27Å; G574-N627 PolarHBondContact O-ND2 3.16Å; G574-N627 PolarHBondContact O-OD1 2.88Å; G574-E628 WeakPolarHBondContact CA-OE1 3.44Å; G574-E628 PolarHBondContact N-OE1 3.17Å; G574-Y629 VanDerWaalsContact C-CD2 3.48Å; G574-Y629 VanDerWaalsContact CA-CD2 3.48Å
575	Y	96.4	Very high	96.8	Very high	83 Å²	83	11.9 Å²	11.9	33%	0.325	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.4	173	-66.9	-79.2	0	0	0	113.8	G573 F595 Y629 H733	G573-Y575 PolarHBondContact O-N 3.4Å; Y575-F595 HydrophobicContact CD1-CB 4.29Å; Y575-F595 AromaticContact CD1-CD1 3.98Å; Y575-F595 HydrophobicContact CD1-CD1 3.98Å; Y575-F595 AromaticContact CD1-CD2 3.59Å; Y575-F595 HydrophobicContact CD1-CD2 3.59Å; Y575-F595 HydrophobicContact CD1-CE1 4.16Å; Y575-F595 AromaticContact CD1-CE2 3.79Å; Y575-F595 HydrophobicContact CD1-CE2 3.79Å; Y575-F595 AromaticContact CD1-CG 3.68Å; Y575-F595 HydrophobicContact CD1-CG 3.68Å; Y575-F595 HydrophobicContact CD1-CZ 4.08Å; Y575-F595 HydrophobicContact CE1-CD2 4.11Å; Y575-F595 HydrophobicContact CE1-CE2 4.04Å; Y575-F595 HydrophobicContact CG-CD1 4.38Å; Y575-F595 HydrophobicContact CG-CG 4.43Å; Y575-F595 WeakPolarHBondContact O-CB 3.34Å; Y575-Y629 HydrophobicContact CD2-CD2 4.01Å; Y575-Y629 HydrophobicContact CE1-CG 4.39Å; Y575-Y629 AromaticContact CE2-CD2 3.93Å; Y575-Y629 HydrophobicContact CE2-CD2 3.93Å; Y575-Y629 HydrophobicContact CG-CD2 4.37Å; Y575-H733 AromaticContact CD1-CD2 3.88Å; Y575-H733 HydrophobicContact CD2-CB 3.97Å; Y575-H733 WeakPolarHBondContact CD2-O 3.47Å; Y575-H733 AromaticContact CE1-CD2 3.9Å; Y575-H733 HydrophobicContact CG-CB 3.96Å; Y575-H733 AromaticContact CG-CD2 3.96Å
576	C	97	Very high	97	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.007	5%	0.046	C	C	.	.			trans	-88.7	115.7	178.6	-176.2	0	0	0	0	111.2	S529 N531 G573 G574 Y578 E596 N627 Q739	S529-C576 PolarHBondContact O-SG 2.88Å; N531-C576 HydrophobicContact CB-CB 3.8Å; G573-C576 WeakPolarHBondContact O-CA 3.47Å; G573-C576 VanDerWaalsContact O-CB 3.31Å; G573-C576 WeakPolarHBondContact O-CB 3.46Å; G573-C576 PolarHBondContact O-N 2.84Å; G574-C576 VanDerWaalsContact C-N 3.27Å; C576-Y578 PolarHBondContact O-N 2.72Å; C576-E596 WeakPolarHBondContact CA-OE1 3.42Å; C576-N627 PolarHBondContact O-ND2 3.25Å; C576-Q739 PolarHBondContact SG-NE2 3.33Å
577	G	97.1	Very high	97.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	4.6	179	0	0	0	0	0	115.6	L579 A580 T581 E596 W741	G577-L579 PolarHBondContact O-N 3.42Å; G577-A580 PolarHBondContact O-N 2.78Å; G577-T581 VanDerWaalsContact O-CB 3.3Å; G577-T581 WeakPolarHBondContact O-CB 3.19Å; G577-T581 PolarHBondContact O-N 3.13Å; G577-T581 PolarHBondContact O-OG1 3.2Å; G577-E596 PolarHBondContact N-OE1 2.87Å; G577-E596 PolarHBondContact N-OE2 3.09Å; G577-W741 VanDerWaalsContact C-CH2 3.49Å
578	Y	97.3	Very high	97	Very high	11 Å²	11	9.4 Å²	9.4	4%	0.043	5%	0.05	C	C	.	.	H	α-helix	trans	-54.9	-51.5	-178	171.4	-100.5	0	0	0	112.4	N530 A541 V545 C576 T581 S582 W740 W741	N530-Y578 HydrophobicContact CB-CD1 3.42Å; N530-Y578 VanDerWaalsContact CB-CD1 3.42Å; N530-Y578 HydrophobicContact CB-CD2 4.34Å; N530-Y578 HydrophobicContact CB-CE1 3.84Å; N530-Y578 HydrophobicContact CB-CG 3.7Å; A541-Y578 HydrophobicContact CB-CE1 3.93Å; V545-Y578 HydrophobicContact CG2-CE1 4Å; C576-Y578 PolarHBondContact O-N 2.72Å; Y578-T581 PolarHBondContact O-N 3.39Å; Y578-S582 VanDerWaalsContact CE2-OG 3.31Å; Y578-S582 WeakPolarHBondContact CE2-OG 3.23Å; Y578-S582 VanDerWaalsContact O-CB 3.26Å; Y578-S582 WeakPolarHBondContact O-CB 3.41Å; Y578-S582 PolarHBondContact O-N 3.34Å; Y578-S582 PolarHBondContact O-OG 3.07Å; Y578-W740 HydrophobicContact CE2-CH2 4.42Å; Y578-W740 AromaticContact CE2-CZ2 3.87Å; Y578-W740 HydrophobicContact CE2-CZ2 3.87Å; Y578-W741 HydrophobicContact CD2-CB 3.98Å; Y578-W741 AromaticContact CD2-CD1 3.41Å; Y578-W741 VanDerWaalsContact CD2-CD1 3.41Å; Y578-W741 HydrophobicContact CD2-CD2 4.16Å; Y578-W741 AromaticContact CD2-CG 3.59Å; Y578-W741 HydrophobicContact CD2-CG 3.59Å; Y578-W741 AromaticContact CD2-NE1 3.85Å; Y578-W741 HydrophobicContact CE2-CB 4.35Å; Y578-W741 HydrophobicContact CE2-CG 4.39Å
579	L	97.4	Very high	96.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-48.6	-176.2	-178.7	55.9	0	0	0	110.3	A544 V545 A548 M572 G577 T581 S582 T583 Q662	A544-L579 HydrophobicContact CB-CD1 4.04Å; A544-L579 HydrophobicContact CB-CD2 4.49Å; V545-L579 HydrophobicContact CB-CD1 4.35Å; V545-L579 HydrophobicContact CG2-CD1 3.73Å; A548-L579 HydrophobicContact CB-CD1 4.35Å; M572-L579 HydrophobicContact CB-CD2 4.32Å; G577-L579 PolarHBondContact O-N 3.42Å; L579-T581 PolarHBondContact O-N 2.8Å; L579-S582 PolarHBondContact O-N 2.82Å; L579-T583 VanDerWaalsContact O-CB 3.25Å; L579-T583 WeakPolarHBondContact O-CB 3.38Å; L579-T583 PolarHBondContact O-N 2.86Å; L579-T583 PolarHBondContact O-OG1 2.95Å; L579-Q662 HydrophobicContact CD2-CB 4.44Å
580	A	97.6	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.3	-47.6	175.9	0	0	0	0	0	112.2	T571 G577 A584 I594 N627	T571-A580 VanDerWaalsContact OG1-CB 3.32Å; T571-A580 WeakPolarHBondContact OG1-CB 3.46Å; G577-A580 PolarHBondContact O-N 2.78Å; A580-A584 WeakPolarHBondContact O-CB 3.47Å; A580-A584 PolarHBondContact O-N 3.27Å; A580-I594 HydrophobicContact CB-CG2 3.97Å; A580-N627 HydrophobicContact CB-CB 3.96Å
581	T	97.4	Very high	96.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68.8	-46.7	-177	-61.5	0	0	0	0	112	G577 Y578 L579 A584 I585 W741 L744 R745	G577-T581 VanDerWaalsContact O-CB 3.3Å; G577-T581 WeakPolarHBondContact O-CB 3.19Å; G577-T581 PolarHBondContact O-N 3.13Å; G577-T581 PolarHBondContact O-OG1 3.2Å; Y578-T581 PolarHBondContact O-N 3.39Å; L579-T581 PolarHBondContact O-N 2.8Å; T581-A584 WeakPolarHBondContact O-CB 3.21Å; T581-A584 PolarHBondContact O-N 3.02Å; T581-I585 PolarHBondContact O-N 3.46Å; T581-I585 VanDerWaalsContact O-N 3.09Å; T581-W741 HydrophobicContact CG2-CE3 4.11Å; T581-W741 HydrophobicContact CG2-CZ3 4.41Å; T581-L744 HydrophobicContact CG2-CB 3.89Å; T581-L744 HydrophobicContact CG2-CD1 4.45Å; T581-R745 HydrophobicContact CG2-CG 4.47Å; T581-R745 PolarHBondContact OG1-NH1 2.94Å
582	S	97.3	Very high	96.5	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.014	5%	0.051	C	C	.	.	H	α-helix	trans	-65.6	-44.9	-179.1	-59.9	0	0	0	0	110.9	I311 Y578 L579 A584 I585 A586	I311-S582 WeakPolarHBondContact CD1-O 3.48Å; Y578-S582 VanDerWaalsContact CE2-OG 3.31Å; Y578-S582 WeakPolarHBondContact CE2-OG 3.23Å; Y578-S582 VanDerWaalsContact O-CB 3.26Å; Y578-S582 WeakPolarHBondContact O-CB 3.41Å; Y578-S582 PolarHBondContact O-N 3.34Å; Y578-S582 PolarHBondContact O-OG 3.07Å; L579-S582 PolarHBondContact O-N 2.82Å; S582-A584 VanDerWaalsContact C-N 3.32Å; S582-A584 PolarHBondContact O-N 3.46Å; S582-I585 PolarHBondContact O-N 3.06Å; S582-A586 WeakPolarHBondContact O-CB 3.3Å; S582-A586 PolarHBondContact O-N 3.13Å
583	T	98	Very high	96.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.9	-41.9	173.4	-60.4	0	0	0	0	111	A548 L579 I585 A586 V587 L625	A548-T583 HydrophobicContact CB-CG2 3.86Å; A548-T583 WeakPolarHBondContact CB-OG1 3.48Å; L579-T583 VanDerWaalsContact O-CB 3.25Å; L579-T583 WeakPolarHBondContact O-CB 3.38Å; L579-T583 PolarHBondContact O-N 2.86Å; L579-T583 PolarHBondContact O-OG1 2.95Å; T583-I585 VanDerWaalsContact C-N 3.35Å; T583-I585 PolarHBondContact O-N 3.48Å; T583-A586 PolarHBondContact O-N 3.46Å; T583-A586 VanDerWaalsContact O-N 3.15Å; T583-V587 HydrophobicContact CG2-CG1 4.07Å; T583-V587 WeakPolarHBondContact O-CG1 3.04Å; T583-V587 VanDerWaalsContact O-CG2 3.22Å; T583-V587 WeakPolarHBondContact O-CG2 3.36Å; T583-V587 PolarHBondContact O-N 3.49Å; T583-L625 HydrophobicContact CG2-CD2 4.11Å
584	A	97.6	Very high	96.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.2	-43.9	179.1	0	0	0	0	0	113.1	A580 T581 S582 G588 A589 A592 L625 L748	A580-A584 WeakPolarHBondContact O-CB 3.47Å; A580-A584 PolarHBondContact O-N 3.27Å; T581-A584 WeakPolarHBondContact O-CB 3.21Å; T581-A584 PolarHBondContact O-N 3.02Å; S582-A584 VanDerWaalsContact C-N 3.32Å; S582-A584 PolarHBondContact O-N 3.46Å; A584-G588 WeakPolarHBondContact O-CA 3.31Å; A584-G588 PolarHBondContact O-N 2.95Å; A584-A589 HydrophobicContact CB-CB 3.9Å; A584-A589 PolarHBondContact O-N 3.45Å; A584-A592 HydrophobicContact CB-CB 3.74Å; A584-L625 HydrophobicContact CB-CD2 3.46Å; A584-L625 VanDerWaalsContact CB-CD2 3.46Å; A584-L625 VanDerWaalsContact N-CD2 3.33Å; A584-L748 HydrophobicContact CB-CD1 3.8Å; A584-L748 HydrophobicContact CB-CD2 3.89Å
585	I	96.8	Very high	96.6	Very high	5 Å²	5	10.6 Å²	10.6	3%	0.026	5%	0.053	C	C	.	.	H	α-helix	trans	-64.2	-48.9	174.2	-64.7	-67.6	0	0	0	110.4	I311 T314 T581 S582 T583 V587 G588 L744 M747 L748	I311-I585 HydrophobicContact CB-CG2 4.4Å; I311-I585 HydrophobicContact CG1-CB 4.37Å; I311-I585 HydrophobicContact CG1-CG2 4.04Å; I311-I585 HydrophobicContact CG2-CG2 4.32Å; T314-I585 HydrophobicContact CG2-CG2 4.05Å; T581-I585 PolarHBondContact O-N 3.46Å; T581-I585 VanDerWaalsContact O-N 3.09Å; S582-I585 PolarHBondContact O-N 3.06Å; T583-I585 VanDerWaalsContact C-N 3.35Å; T583-I585 PolarHBondContact O-N 3.48Å; I585-V587 VanDerWaalsContact C-N 3.25Å; I585-V587 PolarHBondContact O-N 2.97Å; I585-G588 PolarHBondContact O-N 2.79Å; I585-G588 VanDerWaalsContact O-N 3.15Å; I585-L744 HydrophobicContact CG1-CB 4.29Å; I585-M747 HydrophobicContact CD1-CB 4.34Å; I585-L748 HydrophobicContact CD1-CB 3.64Å; I585-L748 HydrophobicContact CD1-CD1 3.99Å; I585-L748 HydrophobicContact CD1-CG 4.41Å
586	A	97.2	Very high	96.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.8	-31.8	-176.7	0	0	0	0	0	113.5	I77 A307 R310 I311 M549 S582 T583	I77-A586 WeakPolarHBondContact CD1-O 3.35Å; A307-A586 HydrophobicContact CB-CB 4.42Å; R310-A586 HydrophobicContact CB-CB 4.39Å; R310-A586 WeakPolarHBondContact CD-O 3.26Å; R310-A586 PolarHBondContact NH1-O 3.07Å; I311-A586 HydrophobicContact CD1-CB 4.23Å; I311-A586 HydrophobicContact CG1-CB 3.95Å; M549-A586 HydrophobicContact CG-CB 4.16Å; M549-A586 HydrophobicContact SD-CB 4.03Å; S582-A586 WeakPolarHBondContact O-CB 3.3Å; S582-A586 PolarHBondContact O-N 3.13Å; T583-A586 PolarHBondContact O-N 3.46Å; T583-A586 VanDerWaalsContact O-N 3.15Å
587	V	96.5	Very high	96.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-98.9	-8.3	-179.3	-53.4	0	0	0	0	112.5	M549 C552 K556 T583 I585 A589 L623 L625	M549-V587 HydrophobicContact CB-CG1 4.11Å; M549-V587 HydrophobicContact CG-CG1 3.76Å; C552-V587 HydrophobicContact CB-CB 4.17Å; C552-V587 HydrophobicContact CB-CG1 3.54Å; C552-V587 HydrophobicContact CB-CG2 4.41Å; K556-V587 PolarHBondContact NZ-O 3.07Å; T583-V587 HydrophobicContact CG2-CG1 4.07Å; T583-V587 WeakPolarHBondContact O-CG1 3.04Å; T583-V587 VanDerWaalsContact O-CG2 3.22Å; T583-V587 WeakPolarHBondContact O-CG2 3.36Å; T583-V587 PolarHBondContact O-N 3.49Å; I585-V587 VanDerWaalsContact C-N 3.25Å; I585-V587 PolarHBondContact O-N 2.97Å; V587-A589 HydrophobicContact CG2-CB 3.87Å; V587-L623 HydrophobicContact CB-CD2 4.16Å; V587-L623 HydrophobicContact CG2-CD2 3.49Å; V587-L623 VanDerWaalsContact CG2-CD2 3.49Å; V587-L625 HydrophobicContact CG2-CD2 4.21Å
588	G	94.9	Very high	96	Very high	17 Å²	17	16.8 Å²	16.8	18%	0.175	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	48.3	-172.4	0	0	0	0	0	112.2	A584 I585	A584-G588 WeakPolarHBondContact O-CA 3.31Å; A584-G588 PolarHBondContact O-N 2.95Å; I585-G588 PolarHBondContact O-N 2.79Å; I585-G588 VanDerWaalsContact O-N 3.15Å
589	A	95.4	Very high	95.9	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.025	10%	0.097	C	C	.	.			trans	-62.6	156.8	175.4	0	0	0	0	0	111.3	A584 V587 L623 L625	A584-A589 HydrophobicContact CB-CB 3.9Å; A584-A589 PolarHBondContact O-N 3.45Å; V587-A589 HydrophobicContact CG2-CB 3.87Å; A589-L623 HydrophobicContact CB-CD2 4.33Å; A589-L623 HydrophobicContact CB-CG 4.37Å; A589-L625 HydrophobicContact CB-CD1 4.17Å; A589-L625 HydrophobicContact CB-CD2 3.84Å
590	D	93.9	Very high	95.8	Very high	10 Å²	10	20.7 Å²	20.7	5%	0.053	12%	0.116	C	C	.	.	S	Bend	trans	-82.2	-37.2	179.2	-64.3	-67.6	0	0	0	111.5	L611 K614 G622 L623 Y754	D590-L611 HydrophobicContact CB-CD2 3.67Å; D590-K614 IonicContact OD1-NZ 3.36Å; D590-K614 PolarHBondContact OD1-NZ 3.46Å; D590-K614 IonicContact OD2-NZ 3.71Å; D590-K614 PolarHBondContact OD2-NZ 2.92Å; D590-G622 VanDerWaalsContact OD2-CA 3.26Å; D590-G622 WeakPolarHBondContact OD2-CA 3.32Å; D590-L623 WeakPolarHBondContact CB-O 3.17Å; D590-L623 PolarHBondContact N-O 2.9Å; D590-L623 PolarHBondContact OD2-N 3.16Å; D590-Y754 WeakPolarHBondContact O-CE2 3.43Å
591	A	94.6	Very high	95.6	Very high	8 Å²	8	23.9 Å²	23.9	7%	0.066	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.8	176.2	0	0	0	0	0	110.4	V624 L625	A591-V624 HydrophobicContact CB-CG1 4.27Å; A591-V624 HydrophobicContact CB-CG2 4.49Å; A591-V624 WeakPolarHBondContact O-CA 3.43Å; A591-L625 PolarHBondContact O-N 3.32Å
592	A	96.7	Very high	95.4	Very high	6 Å²	6	30.3 Å²	30.3	5%	0.05	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	118.8	172.4	0	0	0	0	0	110.1	A584 L625 R745 L748	A584-A592 HydrophobicContact CB-CB 3.74Å; A592-L625 CarbonylContact C-O 3.48Å; A592-L625 VanDerWaalsContact CA-O 3.25Å; A592-L625 WeakPolarHBondContact CA-O 3.31Å; A592-L625 HydrophobicContact CB-CB 4.2Å; A592-R745 PolarHBondContact O-NH1 3.3Å; A592-R745 PolarHBondContact O-NH2 3.19Å; A592-L748 HydrophobicContact CB-CD2 3.62Å
593	Y	97.4	Very high	95.2	Very high	11 Å²	11	33.3 Å²	33.3	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.4	177.1	-57.9	-62.4	0	0	0	110.8	F599 L604 N607 V624 L625 N627 I639 Y643	Y593-F599 HydrophobicContact CD1-CD1 4.15Å; Y593-F599 HydrophobicContact CD1-CD2 4.06Å; Y593-F599 HydrophobicContact CD1-CE1 4.22Å; Y593-F599 HydrophobicContact CD1-CE2 4.11Å; Y593-F599 HydrophobicContact CD1-CG 4.07Å; Y593-F599 HydrophobicContact CD1-CZ 4.19Å; Y593-F599 HydrophobicContact CE1-CD2 4.33Å; Y593-F599 HydrophobicContact CG-CE1 4.37Å; Y593-F599 HydrophobicContact CG-CE2 4.39Å; Y593-F599 HydrophobicContact CG-CZ 4.18Å; Y593-L604 HydrophobicContact CD1-CD2 4.26Å; Y593-L604 HydrophobicContact CE1-CD2 3.54Å; Y593-L604 HydrophobicContact CE2-CD2 3.88Å; Y593-L604 VanDerWaalsContact OH-CD2 3.28Å; Y593-L604 WeakPolarHBondContact OH-CD2 3.37Å; Y593-N607 WeakPolarHBondContact CE1-ND2 3.28Å; Y593-N607 WeakPolarHBondContact OH-CB 3.46Å; Y593-N607 PolarHBondContact OH-ND2 3.25Å; Y593-V624 HydrophobicContact CD2-CG1 3.88Å; Y593-V624 HydrophobicContact CE2-CG1 3.42Å; Y593-V624 VanDerWaalsContact CE2-CG1 3.42Å; Y593-L625 PolarHBondContact N-O 2.94Å; Y593-N627 PolarHBondContact O-N 2.99Å; Y593-I639 HydrophobicContact CD2-CD1 3.96Å; Y593-I639 HydrophobicContact CE2-CD1 4.22Å; Y593-I639 HydrophobicContact CE2-CG2 4.46Å; Y593-Y643 PolarHBondContact OH-OH 2.89Å
594	I	96.8	Very high	95	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.178	C	C	.	.			trans	-135.1	161.1	-177.3	65.3	170.6	0	0	0	109.8	A580 E596 E597 N627 W741	A580-I594 HydrophobicContact CB-CG2 3.97Å; I594-E596 VanDerWaalsContact C-N 3.33Å; I594-E596 WeakPolarHBondContact CB-OE2 3.13Å; I594-E596 HydrophobicContact CD1-CB 4.34Å; I594-E597 HydrophobicContact CD1-CB 4.11Å; I594-E597 HydrophobicContact CG1-CB 3.77Å; I594-N627 HydrophobicContact CG2-CB 4.42Å; I594-W741 HydrophobicContact CD1-CH2 4.02Å; I594-W741 HydrophobicContact CD1-CZ3 3.87Å
595	F	96.1	Very high	94.8	Very high	64 Å²	64	38.1 Å²	38.1	28%	0.281	20%	0.199	S	C	.	.	S	Bend	trans	-69.2	-36.9	-178.1	172.6	-109.4	0	0	0	111.6	Y575 E597 H733 M735	Y575-F595 HydrophobicContact CD1-CB 4.29Å; Y575-F595 AromaticContact CD1-CD1 3.98Å; Y575-F595 HydrophobicContact CD1-CD1 3.98Å; Y575-F595 AromaticContact CD1-CD2 3.59Å; Y575-F595 HydrophobicContact CD1-CD2 3.59Å; Y575-F595 HydrophobicContact CD1-CE1 4.16Å; Y575-F595 AromaticContact CD1-CE2 3.79Å; Y575-F595 HydrophobicContact CD1-CE2 3.79Å; Y575-F595 AromaticContact CD1-CG 3.68Å; Y575-F595 HydrophobicContact CD1-CG 3.68Å; Y575-F595 HydrophobicContact CD1-CZ 4.08Å; Y575-F595 HydrophobicContact CE1-CD2 4.11Å; Y575-F595 HydrophobicContact CE1-CE2 4.04Å; Y575-F595 HydrophobicContact CG-CD1 4.38Å; Y575-F595 HydrophobicContact CG-CG 4.43Å; Y575-F595 WeakPolarHBondContact O-CB 3.34Å; F595-E597 PolarHBondContact O-N 3.46Å; F595-H733 HydrophobicContact CE1-CB 4.33Å; F595-H733 AromaticContact CE1-CD2 3.8Å; F595-H733 AromaticContact CE1-CG 3.86Å; F595-H733 AromaticContact CZ-CD2 3.43Å; F595-H733 VanDerWaalsContact CZ-CD2 3.43Å; F595-H733 WeakPolarHBondContact CZ-CD2 3.49Å; F595-H733 AromaticContact CZ-CG 3.92Å; F595-H733 AromaticContact CZ-NE2 3.5Å; F595-H733 WeakPolarHBondContact CZ-NE2 3.48Å; F595-M735 HydrophobicContact CD1-SD 4.25Å
596	E	94.3	Very high	94.5	Very high	37 Å²	37	41.3 Å²	41.3	17%	0.173	22%	0.219	C	C	.	.	S	Bend	trans	-77.6	-11.1	-171.6	-49.1	93.9	138.4	0	0	114	C576 G577 I594 P598 M735 W741 F742	C576-E596 WeakPolarHBondContact CA-OE1 3.42Å; G577-E596 PolarHBondContact N-OE1 2.87Å; G577-E596 PolarHBondContact N-OE2 3.09Å; I594-E596 VanDerWaalsContact C-N 3.33Å; I594-E596 WeakPolarHBondContact CB-OE2 3.13Å; I594-E596 HydrophobicContact CD1-CB 4.34Å; E596-P598 WeakPolarHBondContact O-CD 3.45Å; E596-M735 HydrophobicContact CG-CE 3.44Å; E596-M735 VanDerWaalsContact CG-CE 3.44Å; E596-M735 HydrophobicContact CG-SD 4.5Å; E596-W741 WeakPolarHBondContact OE1-CH2 3.24Å; E596-W741 VanDerWaalsContact OE1-CZ2 3.27Å; E596-W741 WeakPolarHBondContact OE1-CZ2 3.48Å; E596-F742 HydrophobicContact CB-CE1 3.66Å; E596-F742 HydrophobicContact CB-CZ 3.33Å; E596-F742 HydrophobicContact CG-CZ 3.78Å
597	E	92.5	Very high	94.3	Very high	58 Å²	58	42.3 Å²	42.3	27%	0.271	22%	0.224	S	C	.	.	S	Bend	trans	-116.4	88.2	172.8	-170.2	-176.4	147.9	0	0	108.1	I594 F595 F599 R745 K749	I594-E597 HydrophobicContact CD1-CB 4.11Å; I594-E597 HydrophobicContact CG1-CB 3.77Å; F595-E597 PolarHBondContact O-N 3.46Å; E597-F599 PolarHBondContact O-N 2.96Å; E597-R745 IonicContact OE2-CZ 2.84Å; E597-R745 VanDerWaalsContact OE2-CZ 3.29Å; E597-R745 IonicContact OE2-NE 3.34Å; E597-R745 PolarHBondContact OE2-NE 3.43Å; E597-R745 IonicContact OE2-NH2 3.55Å; E597-R745 PolarHBondContact OE2-NH2 3.18Å; E597-K749 WeakPolarHBondContact OE1-CE 3.49Å; E597-K749 IonicContact OE1-NZ 3.59Å; E597-K749 PolarHBondContact OE1-NZ 3.13Å
598	P	91.4	Very high	94.2	Very high	119 Å²	119	42.5 Å²	42.5	77%	0.773	23%	0.225	S	C	*	.			trans	-56.6	136.1	-178.6	-24.7	33.8	0	0	0	111.4	E596	E596-P598 WeakPolarHBondContact O-CD 3.45Å
599	F	94.1	Very high	94.1	Very high	20 Å²	20	46.6 Å²	46.6	9%	0.088	24%	0.24	C	C	.	.			trans	-135.1	151.4	179.6	63.2	-83.7	0	0	0	110.4	Y593 E597 D603 L604 C630 H631 Y634	Y593-F599 HydrophobicContact CD1-CD1 4.15Å; Y593-F599 HydrophobicContact CD1-CD2 4.06Å; Y593-F599 HydrophobicContact CD1-CE1 4.22Å; Y593-F599 HydrophobicContact CD1-CE2 4.11Å; Y593-F599 HydrophobicContact CD1-CG 4.07Å; Y593-F599 HydrophobicContact CD1-CZ 4.19Å; Y593-F599 HydrophobicContact CE1-CD2 4.33Å; Y593-F599 HydrophobicContact CG-CE1 4.37Å; Y593-F599 HydrophobicContact CG-CE2 4.39Å; Y593-F599 HydrophobicContact CG-CZ 4.18Å; E597-F599 PolarHBondContact O-N 2.96Å; F599-D603 WeakPolarHBondContact CA-OD2 3.5Å; F599-D603 HydrophobicContact CB-CB 4.1Å; F599-L604 HydrophobicContact CD2-CD2 3.75Å; F599-L604 HydrophobicContact CD2-CG 4.02Å; F599-L604 HydrophobicContact CE2-CD1 4.33Å; F599-L604 HydrophobicContact CE2-CD2 3.74Å; F599-L604 HydrophobicContact CE2-CG 4.22Å; F599-C630 HydrophobicContact CE1-CB 4.16Å; F599-H631 HydrophobicContact CE1-CB 4.21Å; F599-H631 HydrophobicContact CZ-CB 3.85Å; F599-Y634 AromaticContact CD2-CD2 3.99Å; F599-Y634 HydrophobicContact CD2-CD2 3.99Å; F599-Y634 AromaticContact CE2-CD2 3.5Å; F599-Y634 HydrophobicContact CE2-CD2 3.5Å; F599-Y634 VanDerWaalsContact CE2-CD2 3.5Å; F599-Y634 HydrophobicContact CE2-CE2 4.42Å; F599-Y634 HydrophobicContact CE2-CG 4.15Å; F599-Y634 HydrophobicContact CZ-CD2 4.15Å
600	N	94.4	Very high	94	Very high	74 Å²	74	48.4 Å²	48.4	40%	0.396	25%	0.248	S	C	.	.			trans	-121.5	-177.2	178.7	70	63.6	0	0	0	111.3	H602 D603 L604	N600-H602 VanDerWaalsContact C-N 3.25Å; N600-H602 PolarHBondContact O-N 3.48Å; N600-H602 WeakPolarHBondContact OD1-CA 3.25Å; N600-H602 WeakPolarHBondContact OD1-CB 3.46Å; N600-H602 PolarHBondContact OD1-N 3.3Å; N600-D603 VanDerWaalsContact CG-OD2 3.31Å; N600-D603 PolarHBondContact N-OD2 3.45Å; N600-D603 PolarHBondContact ND2-OD2 2.98Å; N600-D603 VanDerWaalsContact ND2-OD2 3.17Å; N600-D603 PolarHBondContact O-N 2.96Å; N600-D603 VanDerWaalsContact O-N 3.16Å; N600-L604 PolarHBondContact O-N 3.46Å
601	I	94.3	Very high	93.9	Very high	66 Å²	66	48 Å²	48	34%	0.338	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-29.4	-177.3	-166.2	60.4	0	0	0	113.7	L604 K605 F638 L642	I601-L604 HydrophobicContact CD1-CD1 4.19Å; I601-L604 PolarHBondContact O-N 3.25Å; I601-K605 WeakPolarHBondContact O-CB 3.43Å; I601-K605 PolarHBondContact O-N 3.18Å; I601-F638 HydrophobicContact CD1-CE1 4.1Å; I601-F638 HydrophobicContact CD1-CZ 3.95Å; I601-L642 HydrophobicContact CD1-CD1 4.28Å; I601-L642 HydrophobicContact CD1-CD2 3.75Å
602	H	93.1	Very high	93.7	Very high	136 Å²	136	48.2 Å²	48.2	63%	0.63	25%	0.247	S	C	*	.	H	α-helix	trans	-69.5	-37.1	176.8	-66.4	63.6	0	0	0	111.1	N600 K605 T606	N600-H602 VanDerWaalsContact C-N 3.25Å; N600-H602 PolarHBondContact O-N 3.48Å; N600-H602 WeakPolarHBondContact OD1-CA 3.25Å; N600-H602 WeakPolarHBondContact OD1-CB 3.46Å; N600-H602 PolarHBondContact OD1-N 3.3Å; H602-K605 PolarHBondContact O-N 2.93Å; H602-T606 WeakPolarHBondContact O-CB 3.37Å; H602-T606 PolarHBondContact O-N 3.16Å; H602-T606 PolarHBondContact O-OG1 3.3Å
603	D	92.5	Very high	93.4	Very high	65 Å²	65	52.2 Å²	52.2	35%	0.348	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-43.1	176.2	-55.8	-55.2	0	0	0	110.7	F599 N600 T606 N607	F599-D603 WeakPolarHBondContact CA-OD2 3.5Å; F599-D603 HydrophobicContact CB-CB 4.1Å; N600-D603 VanDerWaalsContact CG-OD2 3.31Å; N600-D603 PolarHBondContact N-OD2 3.45Å; N600-D603 PolarHBondContact ND2-OD2 2.98Å; N600-D603 VanDerWaalsContact ND2-OD2 3.17Å; N600-D603 PolarHBondContact O-N 2.96Å; N600-D603 VanDerWaalsContact O-N 3.16Å; D603-T606 PolarHBondContact O-N 2.96Å; D603-N607 VanDerWaalsContact O-CG 3.31Å; D603-N607 PolarHBondContact O-N 3.4Å; D603-N607 PolarHBondContact O-ND2 3.29Å
604	L	94.1	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-47.6	174.4	-64.5	-178.7	0	0	0	111.3	Y593 F599 N600 I601 T606 N607 V608 Y634 F638 L642	Y593-L604 HydrophobicContact CD1-CD2 4.26Å; Y593-L604 HydrophobicContact CE1-CD2 3.54Å; Y593-L604 HydrophobicContact CE2-CD2 3.88Å; Y593-L604 VanDerWaalsContact OH-CD2 3.28Å; Y593-L604 WeakPolarHBondContact OH-CD2 3.37Å; F599-L604 HydrophobicContact CD2-CD2 3.75Å; F599-L604 HydrophobicContact CD2-CG 4.02Å; F599-L604 HydrophobicContact CE2-CD1 4.33Å; F599-L604 HydrophobicContact CE2-CD2 3.74Å; F599-L604 HydrophobicContact CE2-CG 4.22Å; N600-L604 PolarHBondContact O-N 3.46Å; I601-L604 HydrophobicContact CD1-CD1 4.19Å; I601-L604 PolarHBondContact O-N 3.25Å; L604-T606 PolarHBondContact O-N 2.86Å; L604-N607 PolarHBondContact O-N 3.17Å; L604-V608 WeakPolarHBondContact O-CG2 3.45Å; L604-V608 PolarHBondContact O-N 2.86Å; L604-Y634 HydrophobicContact CD1-CD2 4.38Å; L604-Y634 HydrophobicContact CD1-CG 4.24Å; L604-F638 HydrophobicContact CD1-CD1 4.49Å; L604-F638 HydrophobicContact CD1-CE1 3.94Å; L604-L642 HydrophobicContact CB-CD2 3.65Å; L604-L642 HydrophobicContact CD1-CD2 3.85Å; L604-L642 HydrophobicContact CG-CD2 4.37Å
605	K	93	Very high	92.5	Very high	100 Å²	100	53.1 Å²	53.1	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-44.7	177.4	-177.8	173.7	176.1	173.3	0	111.8	I601 H602 N607 V608 E609	I601-K605 WeakPolarHBondContact O-CB 3.43Å; I601-K605 PolarHBondContact O-N 3.18Å; H602-K605 PolarHBondContact O-N 2.93Å; K605-N607 VanDerWaalsContact C-N 3.26Å; K605-N607 PolarHBondContact O-N 3.43Å; K605-V608 WeakPolarHBondContact O-CB 3.32Å; K605-V608 PolarHBondContact O-N 3.15Å; K605-V608 VanDerWaalsContact O-N 3.1Å; K605-E609 WeakPolarHBondContact CE-OE1 3.34Å; K605-E609 HydrophobicContact CG-CG 4.46Å; K605-E609 WeakPolarHBondContact O-CG 3.47Å; K605-E609 PolarHBondContact O-N 2.82Å
606	T	92.3	Very high	92	Very high	72 Å²	72	56.4 Å²	56.4	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-41	176.2	-58.6	0	0	0	0	111.4	H602 D603 L604 E609 H610	H602-T606 WeakPolarHBondContact O-CB 3.37Å; H602-T606 PolarHBondContact O-N 3.16Å; H602-T606 PolarHBondContact O-OG1 3.3Å; D603-T606 PolarHBondContact O-N 2.96Å; L604-T606 PolarHBondContact O-N 2.86Å; T606-E609 PolarHBondContact O-N 2.98Å; T606-H610 VanDerWaalsContact O-CB 3.3Å; T606-H610 WeakPolarHBondContact O-CB 3.36Å; T606-H610 PolarHBondContact O-N 3.14Å
607	N	92.9	Very high	91.4	Very high	21 Å²	21	60 Å²	60	11%	0.112	30%	0.298	C	S	.	.	H	α-helix	trans	-69.3	-36.7	177.1	-68.3	-21.9	0	0	0	112.4	Y593 D603 L604 K605 L611 Y643 Y754	Y593-N607 WeakPolarHBondContact CE1-ND2 3.28Å; Y593-N607 WeakPolarHBondContact OH-CB 3.46Å; Y593-N607 PolarHBondContact OH-ND2 3.25Å; D603-N607 VanDerWaalsContact O-CG 3.31Å; D603-N607 PolarHBondContact O-N 3.4Å; D603-N607 PolarHBondContact O-ND2 3.29Å; L604-N607 PolarHBondContact O-N 3.17Å; K605-N607 VanDerWaalsContact C-N 3.26Å; K605-N607 PolarHBondContact O-N 3.43Å; N607-L611 WeakPolarHBondContact O-CG 3.49Å; N607-L611 PolarHBondContact O-N 3.39Å; N607-Y643 VanDerWaalsContact CB-OH 3.27Å; N607-Y643 WeakPolarHBondContact CB-OH 3.4Å; N607-Y754 WeakPolarHBondContact OD1-CE1 3.24Å; N607-Y754 PolarHBondContact OD1-OH 3.45Å
608	V	94.2	Very high	90.5	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-48.8	172.8	174	0	0	0	0	110.8	L604 K605 H610 L611 A612 Y643 E646 F651	L604-V608 WeakPolarHBondContact O-CG2 3.45Å; L604-V608 PolarHBondContact O-N 2.86Å; K605-V608 WeakPolarHBondContact O-CB 3.32Å; K605-V608 PolarHBondContact O-N 3.15Å; K605-V608 VanDerWaalsContact O-N 3.1Å; V608-H610 VanDerWaalsContact C-N 3.32Å; V608-H610 PolarHBondContact O-N 3.32Å; V608-L611 PolarHBondContact O-N 3.09Å; V608-A612 WeakPolarHBondContact O-CB 3.44Å; V608-A612 PolarHBondContact O-N 3.17Å; V608-Y643 HydrophobicContact CG2-CD1 3.62Å; V608-Y643 HydrophobicContact CG2-CD2 3.65Å; V608-Y643 HydrophobicContact CG2-CE1 3.65Å; V608-Y643 HydrophobicContact CG2-CE2 3.64Å; V608-Y643 HydrophobicContact CG2-CG 3.65Å; V608-E646 HydrophobicContact CG1-CB 3.72Å; V608-F651 HydrophobicContact CG1-CZ 4.17Å
609	E	92.9	Very high	90	Very high	102 Å²	102	58.3 Å²	58.3	48%	0.477	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-43.5	178.1	-71.3	173.8	178	0	0	111.3	K605 T606 L611 A612 E613	K605-E609 WeakPolarHBondContact CE-OE1 3.34Å; K605-E609 HydrophobicContact CG-CG 4.46Å; K605-E609 WeakPolarHBondContact O-CG 3.47Å; K605-E609 PolarHBondContact O-N 2.82Å; T606-E609 PolarHBondContact O-N 2.98Å; E609-L611 PolarHBondContact O-N 3.46Å; E609-A612 PolarHBondContact O-N 3.43Å; E609-E613 PolarHBondContact O-N 2.95Å
610	H	91.6	Very high	89.5	Confident	42 Å²	42	60.2 Å²	60.2	19%	0.194	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-47.2	174.8	179.4	89.8	0	0	0	111.9	T606 V608 E613 K614 A752 Y754	T606-H610 VanDerWaalsContact O-CB 3.3Å; T606-H610 WeakPolarHBondContact O-CB 3.36Å; T606-H610 PolarHBondContact O-N 3.14Å; V608-H610 VanDerWaalsContact C-N 3.32Å; V608-H610 PolarHBondContact O-N 3.32Å; H610-E613 PolarHBondContact O-N 3.28Å; H610-K614 WeakPolarHBondContact O-CB 3.35Å; H610-K614 PolarHBondContact O-N 2.91Å; H610-A752 PolarHBondContact CE1-O 3.35Å; H610-A752 PolarHBondContact NE2-O 3.28Å; H610-A752 VanDerWaalsContact NE2-O 3.08Å; H610-Y754 HydrophobicContact CB-CE1 3.75Å; H610-Y754 AromaticContact CD2-CE2 3.76Å; H610-Y754 AromaticContact CD2-CZ 3.44Å; H610-Y754 VanDerWaalsContact CD2-CZ 3.44Å; H610-Y754 PolarHBondContact CD2-OH 3.33Å; H610-Y754 VanDerWaalsContact CD2-OH 3.31Å; H610-Y754 AromaticContact CG-CE1 3.61Å; H610-Y754 AromaticContact CG-CZ 3.54Å; H610-Y754 AromaticContact ND1-CE1 3.94Å; H610-Y754 AromaticContact NE2-CE2 3.8Å; H610-Y754 AromaticContact NE2-CZ 3.96Å
611	L	92.3	Very high	89.3	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-41.1	176.1	-73.3	-177.8	0	0	0	111.8	V566 D590 N607 V608 E609 E613 K614 M615 V624 Y643 F651	V566-L611 HydrophobicContact CB-CD1 4.49Å; V566-L611 HydrophobicContact CG1-CD1 3.74Å; V566-L611 HydrophobicContact CG2-CD1 3.86Å; D590-L611 HydrophobicContact CB-CD2 3.67Å; N607-L611 WeakPolarHBondContact O-CG 3.49Å; N607-L611 PolarHBondContact O-N 3.39Å; V608-L611 PolarHBondContact O-N 3.09Å; E609-L611 PolarHBondContact O-N 3.46Å; L611-E613 VanDerWaalsContact C-N 3.34Å; L611-E613 PolarHBondContact O-N 3.17Å; L611-K614 HydrophobicContact CD2-CD 4.24Å; L611-K614 WeakPolarHBondContact O-CB 3.26Å; L611-K614 PolarHBondContact O-N 3.49Å; L611-M615 WeakPolarHBondContact O-CB 3.46Å; L611-M615 WeakPolarHBondContact O-CG 2.93Å; L611-M615 PolarHBondContact O-N 2.93Å; L611-V624 HydrophobicContact CD1-CG2 3.87Å; L611-Y643 HydrophobicContact CD1-CD2 4.23Å; L611-Y643 HydrophobicContact CD1-CE2 3.67Å; L611-F651 HydrophobicContact CB-CE1 4.19Å
612	A	91.5	Very high	89.2	Confident	13 Å²	13	55 Å²	55	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-44.9	177.7	0	0	0	0	0	111.4	V608 E609 K614 M615 K616 V650 F651	V608-A612 WeakPolarHBondContact O-CB 3.44Å; V608-A612 PolarHBondContact O-N 3.17Å; E609-A612 PolarHBondContact O-N 3.43Å; A612-K614 VanDerWaalsContact C-N 3.34Å; A612-K614 PolarHBondContact O-N 2.97Å; A612-M615 PolarHBondContact O-N 3.27Å; A612-K616 WeakPolarHBondContact O-CG 3.22Å; A612-K616 PolarHBondContact O-N 2.93Å; A612-V650 HydrophobicContact CB-CG1 4.09Å; A612-F651 HydrophobicContact CB-CE1 4.27Å
613	E	89.1	Confident	89.3	Confident	90 Å²	90	48.8 Å²	48.8	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-36.6	175.1	-76.7	-55.4	129.8	0	0	113.1	E609 H610 L611 K616	E609-E613 PolarHBondContact O-N 2.95Å; H610-E613 PolarHBondContact O-N 3.28Å; L611-E613 VanDerWaalsContact C-N 3.34Å; L611-E613 PolarHBondContact O-N 3.17Å; E613-K616 IonicContact OE1-NZ 2.76Å; E613-K616 PolarHBondContact OE1-NZ 3.12Å
614	K	88.6	Confident	89.5	Confident	31 Å²	31	45.8 Å²	45.8	14%	0.135	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-41.6	173.3	-178.2	-172.2	171.1	-160.3	0	111.5	D590 H610 L611 A612 K616 K617 I619 R621	D590-K614 IonicContact OD1-NZ 3.36Å; D590-K614 PolarHBondContact OD1-NZ 3.46Å; D590-K614 IonicContact OD2-NZ 3.71Å; D590-K614 PolarHBondContact OD2-NZ 2.92Å; H610-K614 WeakPolarHBondContact O-CB 3.35Å; H610-K614 PolarHBondContact O-N 2.91Å; L611-K614 HydrophobicContact CD2-CD 4.24Å; L611-K614 WeakPolarHBondContact O-CB 3.26Å; L611-K614 PolarHBondContact O-N 3.49Å; A612-K614 VanDerWaalsContact C-N 3.34Å; A612-K614 PolarHBondContact O-N 2.97Å; K614-K616 VanDerWaalsContact C-N 3.32Å; K614-K616 PolarHBondContact O-N 2.94Å; K614-K617 PolarHBondContact O-N 3.29Å; K614-I619 CarbonylContact C-O 3.58Å; K614-I619 HydrophobicContact CD-CG2 4.5Å; K614-I619 HydrophobicContact CG-CB 4.13Å; K614-I619 HydrophobicContact CG-CG2 4.46Å; K614-R621 WeakPolarHBondContact CE-O 3.31Å; K614-R621 PolarHBondContact NZ-O 2.71Å
615	M	87.8	Confident	89.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.5	-25.1	-178.9	-68.5	-71.6	-171.4	0	0	114	V566 L611 A612 K617 Q620 R621 G622 V650 F651	V566-M615 HydrophobicContact CG2-CE 3.4Å; L611-M615 WeakPolarHBondContact O-CB 3.46Å; L611-M615 WeakPolarHBondContact O-CG 2.93Å; L611-M615 PolarHBondContact O-N 2.93Å; A612-M615 PolarHBondContact O-N 3.27Å; M615-K617 PolarHBondContact O-N 3.33Å; M615-Q620 VanDerWaalsContact SD-CA 3.55Å; M615-R621 PolarHBondContact SD-N 2.78Å; M615-G622 VanDerWaalsContact CE-N 3.33Å; M615-V650 HydrophobicContact CB-CG1 3.85Å; M615-F651 HydrophobicContact CE-CB 4.03Å; M615-F651 HydrophobicContact CE-CG 4.33Å; M615-F651 HydrophobicContact CG-CB 4.15Å; M615-F651 HydrophobicContact CG-CD1 4Å; M615-F651 HydrophobicContact CG-CG 4.43Å; M615-F651 HydrophobicContact SD-CB 4.36Å
616	K	84.5	Confident	89.9	Confident	133 Å²	133	41.7 Å²	41.7	58%	0.578	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.5	173	-69.9	173.5	-171.6	171.8	0	113	A612 E613 K614	A612-K616 WeakPolarHBondContact O-CG 3.22Å; A612-K616 PolarHBondContact O-N 2.93Å; E613-K616 IonicContact OE1-NZ 2.76Å; E613-K616 PolarHBondContact OE1-NZ 3.12Å; K614-K616 VanDerWaalsContact C-N 3.32Å; K614-K616 PolarHBondContact O-N 2.94Å
617	K	81.5	Confident	90.1	Very high	112 Å²	112	38.2 Å²	38.2	49%	0.487	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-162.7	-179.7	-61.8	173.7	-175.5	167.6	0	110.3	K614 M615 I619	K614-K617 PolarHBondContact O-N 3.29Å; M615-K617 PolarHBondContact O-N 3.33Å; K617-I619 PolarHBondContact O-N 3.04Å
618	D	75.1	Confident	90.2	Very high	127 Å²	127	39.1 Å²	39.1	68%	0.679	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.4	-176.6	-58.6	-43.5	0	0	0	114.4	H71 Q620	H71-D618 HydrophobicContact CB-CB 4.34Å; H71-D618 IonicContact CD2-OD2 3.96Å; D618-Q620 PolarHBondContact O-N 2.85Å
619	I	79.9	Confident	90.3	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.082	21%	0.206	C	C	.	.			trans	-99.8	92.1	-176.5	-49.2	174.1	0	0	0	110.5	H71 T74 K614 K617 R621	H71-I619 HydrophobicContact CB-CG1 4.38Å; T74-I619 HydrophobicContact CG2-CD1 4.16Å; T74-I619 HydrophobicContact CG2-CG1 4.19Å; T74-I619 HydrophobicContact CG2-CG2 3.96Å; T74-I619 VanDerWaalsContact OG1-CD1 3.31Å; T74-I619 WeakPolarHBondContact OG1-CD1 3.46Å; K614-I619 CarbonylContact C-O 3.58Å; K614-I619 HydrophobicContact CD-CG2 4.5Å; K614-I619 HydrophobicContact CG-CB 4.13Å; K614-I619 HydrophobicContact CG-CG2 4.46Å; K617-I619 PolarHBondContact O-N 3.04Å; I619-R621 VanDerWaalsContact C-N 3.32Å; I619-R621 HydrophobicContact CG2-CG 4.3Å; I619-R621 PolarHBondContact O-N 2.88Å
620	Q	83.7	Confident	90.4	Very high	60 Å²	60	39.9 Å²	39.9	28%	0.28	19%	0.185	S	C	.	.			trans	-93.2	42.3	-174.5	-59.9	-176.1	-20.9	0	0	113.6	K563 R564 M615 D618	K563-Q620 HydrophobicContact CB-CB 4.43Å; R564-Q620 WeakPolarHBondContact CA-O 3.25Å; R564-Q620 HydrophobicContact CG-CB 4.17Å; R564-Q620 HydrophobicContact CG-CG 4.36Å; R564-Q620 PolarHBondContact N-O 3.48Å; M615-Q620 VanDerWaalsContact SD-CA 3.55Å; D618-Q620 PolarHBondContact O-N 2.85Å
621	R	89.8	Confident	90.6	Very high	27 Å²	27	40.8 Å²	40.8	10%	0.102	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.6	174.9	67.9	-179.1	-172.3	171.2	3.3	112.3	N75 K556 A559 S560 R565 K614 M615 I619	N75-R621 VanDerWaalsContact CA-NH2 3.3Å; N75-R621 VanDerWaalsContact CG-NH2 3.27Å; N75-R621 PolarHBondContact OD1-NH1 2.87Å; N75-R621 PolarHBondContact OD1-NH2 3.05Å; K556-R621 VanDerWaalsContact CE-NH2 3.33Å; A559-R621 HydrophobicContact CB-CB 4.26Å; S560-R621 WeakPolarHBondContact OG-CD 3.43Å; S560-R621 PolarHBondContact OG-NH1 3.41Å; R565-R621 WeakPolarHBondContact O-CA 3.4Å; K614-R621 WeakPolarHBondContact CE-O 3.31Å; K614-R621 PolarHBondContact NZ-O 2.71Å; M615-R621 PolarHBondContact SD-N 2.78Å; I619-R621 VanDerWaalsContact C-N 3.32Å; I619-R621 HydrophobicContact CG2-CG 4.3Å; I619-R621 PolarHBondContact O-N 2.88Å
622	G	92.2	Very high	90.7	Very high	4 Å²	4	49.7 Å²	49.7	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.6	175.1	0	0	0	0	0	112.4	R565 V566 F567 D590 M615	R565-G622 PolarHBondContact O-N 3.38Å; V566-G622 WeakPolarHBondContact CA-O 3.46Å; F567-G622 PolarHBondContact N-O 3.33Å; D590-G622 VanDerWaalsContact OD2-CA 3.26Å; D590-G622 WeakPolarHBondContact OD2-CA 3.32Å; M615-G622 VanDerWaalsContact CE-N 3.33Å
623	L	95.2	Very high	90.9	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.9	173.4	-176.5	67.6	0	0	0	109.4	C552 K556 F567 V569 V587 A589 D590 L625	C552-L623 HydrophobicContact CB-CD2 4.19Å; K556-L623 HydrophobicContact CD-CD2 3.77Å; K556-L623 HydrophobicContact CG-CD2 4.06Å; F567-L623 HydrophobicContact CB-CD1 4Å; V569-L623 HydrophobicContact CG2-CD1 3.6Å; V587-L623 HydrophobicContact CB-CD2 4.16Å; V587-L623 HydrophobicContact CG2-CD2 3.49Å; V587-L623 VanDerWaalsContact CG2-CD2 3.49Å; A589-L623 HydrophobicContact CB-CD2 4.33Å; A589-L623 HydrophobicContact CB-CG 4.37Å; D590-L623 WeakPolarHBondContact CB-O 3.17Å; D590-L623 PolarHBondContact N-O 2.9Å; D590-L623 PolarHBondContact OD2-N 3.16Å; L623-L625 HydrophobicContact CD1-CD1 4.03Å; L623-L625 HydrophobicContact CD2-CD1 4.05Å; L623-L625 HydrophobicContact CG-CD1 3.68Å
624	V	96.9	Very high	91.2	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.9	-178.5	177.7	0	0	0	0	107.8	V566 F567 V568 V569 A591 Y593 L611 Y643	V566-V624 HydrophobicContact CG1-CG2 4.15Å; F567-V624 PolarHBondContact O-N 3.34Å; V568-V624 CarbonylContact C-O 3.56Å; V568-V624 WeakPolarHBondContact CA-O 3.45Å; V568-V624 HydrophobicContact CG2-CB 4.45Å; V569-V624 PolarHBondContact N-O 2.98Å; A591-V624 HydrophobicContact CB-CG1 4.27Å; A591-V624 HydrophobicContact CB-CG2 4.49Å; A591-V624 WeakPolarHBondContact O-CA 3.43Å; Y593-V624 HydrophobicContact CD2-CG1 3.88Å; Y593-V624 HydrophobicContact CE2-CG1 3.42Å; Y593-V624 VanDerWaalsContact CE2-CG1 3.42Å; L611-V624 HydrophobicContact CD1-CG2 3.87Å; V624-Y643 HydrophobicContact CG2-CE2 4.13Å
625	L	97.7	Very high	91.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	145	177.9	-83.2	35.2	0	0	0	109.7	V569 T583 A584 V587 A589 A591 A592 Y593 L623	V569-L625 HydrophobicContact CB-CD1 4.01Å; V569-L625 HydrophobicContact CG2-CD1 4.48Å; V569-L625 CarbonylContact O-C 3.54Å; V569-L625 WeakPolarHBondContact O-CA 3.15Å; T583-L625 HydrophobicContact CG2-CD2 4.11Å; A584-L625 HydrophobicContact CB-CD2 3.46Å; A584-L625 VanDerWaalsContact CB-CD2 3.46Å; A584-L625 VanDerWaalsContact N-CD2 3.33Å; V587-L625 HydrophobicContact CG2-CD2 4.21Å; A589-L625 HydrophobicContact CB-CD1 4.17Å; A589-L625 HydrophobicContact CB-CD2 3.84Å; A591-L625 PolarHBondContact O-N 3.32Å; A592-L625 CarbonylContact C-O 3.48Å; A592-L625 VanDerWaalsContact CA-O 3.25Å; A592-L625 WeakPolarHBondContact CA-O 3.31Å; A592-L625 HydrophobicContact CB-CB 4.2Å; Y593-L625 PolarHBondContact N-O 2.94Å; L623-L625 HydrophobicContact CD1-CD1 4.03Å; L623-L625 HydrophobicContact CD2-CD1 4.05Å; L623-L625 HydrophobicContact CG-CD1 3.68Å
626	R	97.4	Very high	91.9	Very high	14 Å²	14	53.7 Å²	53.7	5%	0.053	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.6	178.8	-177.4	-136	173.3	-134.4	-12.6	108.9	V569 E570 T571 E628 C630 T636 I639	V569-R626 PolarHBondContact O-N 3.35Å; E570-R626 CarbonylContact C-O 3.58Å; E570-R626 VanDerWaalsContact CA-O 3.29Å; E570-R626 WeakPolarHBondContact CA-O 3.33Å; E570-R626 IonicContact OE2-CZ 3.38Å; E570-R626 IonicContact OE2-NH1 3.09Å; E570-R626 PolarHBondContact OE2-NH1 2.98Å; T571-R626 PolarHBondContact N-O 3.18Å; T571-R626 PolarHBondContact OG1-O 3.01Å; R626-E628 VanDerWaalsContact CZ-O 3.3Å; R626-E628 PolarHBondContact NH1-O 3.36Å; R626-E628 PolarHBondContact NH2-O 3.04Å; R626-C630 VanDerWaalsContact CG-SG 3.56Å; R626-T636 WeakPolarHBondContact CD-OG1 3.28Å; R626-T636 PolarHBondContact NH1-OG1 2.95Å; R626-I639 HydrophobicContact CG-CD1 4.18Å
627	N	97.6	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.4	167.7	163.7	-91.3	0	0	0	110.6	M572 G574 C576 A580 Y593 I594 Y629 C630	M572-N627 PolarHBondContact O-ND2 3.42Å; G574-N627 PolarHBondContact O-ND2 3.16Å; G574-N627 PolarHBondContact O-OD1 2.88Å; C576-N627 PolarHBondContact O-ND2 3.25Å; A580-N627 HydrophobicContact CB-CB 3.96Å; Y593-N627 PolarHBondContact O-N 2.99Å; I594-N627 HydrophobicContact CG2-CB 4.42Å; N627-Y629 VanDerWaalsContact C-N 3.28Å; N627-Y629 PolarHBondContact O-N 3.13Å; N627-Y629 VanDerWaalsContact O-N 3.17Å; N627-Y629 PolarHBondContact OD1-N 3.47Å; N627-C630 HydrophobicContact CB-CB 4.29Å; N627-C630 WeakPolarHBondContact O-CB 2.92Å; N627-C630 PolarHBondContact O-N 3.31Å; N627-C630 VanDerWaalsContact O-N 3.12Å; N627-C630 PolarHBondContact O-SG 3.05Å; N627-C630 VanDerWaalsContact O-SG 3.32Å; N627-C630 PolarHBondContact OD1-N 3.21Å
628	E	94.5	Very high	93.2	Very high	39 Å²	39	50.6 Å²	50.6	18%	0.182	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.9	-172.2	66.1	-169.4	158.7	0	0	114.9	E570 T571 G573 G574 R626	E570-E628 HydrophobicContact CG-CB 4.42Å; T571-E628 PolarHBondContact O-N 3.22Å; G573-E628 PolarHBondContact N-OE1 2.93Å; G574-E628 WeakPolarHBondContact CA-OE1 3.44Å; G574-E628 PolarHBondContact N-OE1 3.17Å; R626-E628 VanDerWaalsContact CZ-O 3.3Å; R626-E628 PolarHBondContact NH1-O 3.36Å; R626-E628 PolarHBondContact NH2-O 3.04Å
629	Y	96	Very high	94.2	Very high	119 Å²	119	44.6 Å²	44.6	47%	0.467	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	25.9	179.5	-57.1	-29	0	0	0	113.5	G574 Y575 N627 H631	G574-Y629 VanDerWaalsContact C-CD2 3.48Å; G574-Y629 VanDerWaalsContact CA-CD2 3.48Å; Y575-Y629 HydrophobicContact CD2-CD2 4.01Å; Y575-Y629 HydrophobicContact CE1-CG 4.39Å; Y575-Y629 AromaticContact CE2-CD2 3.93Å; Y575-Y629 HydrophobicContact CE2-CD2 3.93Å; Y575-Y629 HydrophobicContact CG-CD2 4.37Å; N627-Y629 VanDerWaalsContact C-N 3.28Å; N627-Y629 PolarHBondContact O-N 3.13Å; N627-Y629 VanDerWaalsContact O-N 3.17Å; N627-Y629 PolarHBondContact OD1-N 3.47Å; Y629-H631 PolarHBondContact O-N 3.29Å
630	C	95	Very high	95	Very high	5 Å²	5	47 Å²	47	3%	0.034	22%	0.219	C	C	.	.	S	Bend	trans	-61	-32	179.9	71	0	0	0	0	113.8	F599 R626 N627	F599-C630 HydrophobicContact CE1-CB 4.16Å; R626-C630 VanDerWaalsContact CG-SG 3.56Å; N627-C630 HydrophobicContact CB-CB 4.29Å; N627-C630 WeakPolarHBondContact O-CB 2.92Å; N627-C630 PolarHBondContact O-N 3.31Å; N627-C630 VanDerWaalsContact O-N 3.12Å; N627-C630 PolarHBondContact O-SG 3.05Å; N627-C630 VanDerWaalsContact O-SG 3.32Å; N627-C630 PolarHBondContact OD1-N 3.21Å
631	H	96.3	Very high	95.6	Very high	60 Å²	60	48.8 Å²	48.8	28%	0.278	23%	0.23	S	C	.	.			trans	-160.5	142.8	176.4	-166.9	-103.1	0	0	0	110.4	F599 Y629 N633 Y634	F599-H631 HydrophobicContact CE1-CB 4.21Å; F599-H631 HydrophobicContact CZ-CB 3.85Å; Y629-H631 PolarHBondContact O-N 3.29Å; H631-N633 PolarHBondContact ND1-N 3.38Å; H631-N633 VanDerWaalsContact ND1-N 3.18Å; H631-Y634 HydrophobicContact CB-CD2 4.1Å; H631-Y634 HydrophobicContact CB-CG 4.4Å; H631-Y634 AromaticContact CD2-CD2 3.99Å; H631-Y634 AromaticContact CE1-CD2 3.46Å; H631-Y634 VanDerWaalsContact CE1-CD2 3.46Å; H631-Y634 WeakPolarHBondContact CE1-CD2 3.23Å; H631-Y634 AromaticContact CE1-CE2 3.47Å; H631-Y634 VanDerWaalsContact CE1-CE2 3.47Å; H631-Y634 WeakPolarHBondContact CE1-CE2 3.49Å; H631-Y634 AromaticContact CE1-CG 3.84Å; H631-Y634 AromaticContact CE1-CZ 3.89Å; H631-Y634 AromaticContact CG-CD2 3.51Å; H631-Y634 AromaticContact CG-CG 3.96Å; H631-Y634 AromaticContact ND1-CD1 3.93Å; H631-Y634 AromaticContact ND1-CD2 3.13Å; H631-Y634 WeakPolarHBondContact ND1-CD2 3.36Å; H631-Y634 AromaticContact ND1-CE2 3.68Å; H631-Y634 AromaticContact ND1-CG 3.27Å; H631-Y634 VanDerWaalsContact ND1-CG 3.27Å; H631-Y634 PolarHBondContact ND1-N 3.06Å; H631-Y634 AromaticContact NE2-CD2 3.98Å; H631-Y634 AromaticContact NE2-CE2 3.84Å
632	K	94.2	Very high	95.9	Very high	187 Å²	187	49 Å²	49	81%	0.813	23%	0.233	S	C	*	.	S	Bend	trans	-66.9	-40.8	-178.2	-175	177	179.6	177.8	0	113.3
633	N	95.6	Very high	96.1	Very high	110 Å²	110	48.8 Å²	48.8	59%	0.588	23%	0.231	S	C	*	.	S	Bend	trans	-100.2	-21.9	-173.2	-57.8	-29.2	0	0	0	113.3	H631 T635	H631-N633 PolarHBondContact ND1-N 3.38Å; H631-N633 VanDerWaalsContact ND1-N 3.18Å; N633-T635 VanDerWaalsContact C-N 3.26Å; N633-T635 PolarHBondContact O-N 2.88Å
634	Y	95.4	Very high	96.1	Very high	47 Å²	47	50 Å²	50	18%	0.184	24%	0.239	C	C	.	.	S	Bend	trans	-96.1	68.5	-179.7	-53.5	-35.6	0	0	0	107.8	F599 L604 H631 F638	F599-Y634 AromaticContact CD2-CD2 3.99Å; F599-Y634 HydrophobicContact CD2-CD2 3.99Å; F599-Y634 AromaticContact CE2-CD2 3.5Å; F599-Y634 HydrophobicContact CE2-CD2 3.5Å; F599-Y634 VanDerWaalsContact CE2-CD2 3.5Å; F599-Y634 HydrophobicContact CE2-CE2 4.42Å; F599-Y634 HydrophobicContact CE2-CG 4.15Å; F599-Y634 HydrophobicContact CZ-CD2 4.15Å; L604-Y634 HydrophobicContact CD1-CD2 4.38Å; L604-Y634 HydrophobicContact CD1-CG 4.24Å; H631-Y634 HydrophobicContact CB-CD2 4.1Å; H631-Y634 HydrophobicContact CB-CG 4.4Å; H631-Y634 AromaticContact CD2-CD2 3.99Å; H631-Y634 AromaticContact CE1-CD2 3.46Å; H631-Y634 VanDerWaalsContact CE1-CD2 3.46Å; H631-Y634 WeakPolarHBondContact CE1-CD2 3.23Å; H631-Y634 AromaticContact CE1-CE2 3.47Å; H631-Y634 VanDerWaalsContact CE1-CE2 3.47Å; H631-Y634 WeakPolarHBondContact CE1-CE2 3.49Å; H631-Y634 AromaticContact CE1-CG 3.84Å; H631-Y634 AromaticContact CE1-CZ 3.89Å; H631-Y634 AromaticContact CG-CD2 3.51Å; H631-Y634 AromaticContact CG-CG 3.96Å; H631-Y634 AromaticContact ND1-CD1 3.93Å; H631-Y634 AromaticContact ND1-CD2 3.13Å; H631-Y634 WeakPolarHBondContact ND1-CD2 3.36Å; H631-Y634 AromaticContact ND1-CE2 3.68Å; H631-Y634 AromaticContact ND1-CG 3.27Å; H631-Y634 VanDerWaalsContact ND1-CG 3.27Å; H631-Y634 PolarHBondContact ND1-N 3.06Å; H631-Y634 AromaticContact NE2-CD2 3.98Å; H631-Y634 AromaticContact NE2-CE2 3.84Å; Y634-F638 AromaticContact CD1-CD1 3.69Å; Y634-F638 HydrophobicContact CD1-CD1 3.69Å; Y634-F638 AromaticContact CD1-CE1 3.5Å; Y634-F638 HydrophobicContact CD1-CE1 3.5Å; Y634-F638 VanDerWaalsContact CD1-CE1 3.5Å; Y634-F638 HydrophobicContact CD1-CG 4.44Å; Y634-F638 HydrophobicContact CD1-CZ 4.12Å; Y634-F638 HydrophobicContact CE1-CE1 4.01Å; Y634-F638 HydrophobicContact CE1-CZ 4.27Å; Y634-F638 HydrophobicContact CG-CD1 4.29Å; Y634-F638 HydrophobicContact CG-CE1 4.31Å
635	T	95.9	Very high	96.1	Very high	55 Å²	55	55.3 Å²	55.3	34%	0.337	26%	0.264	S	S	.	.			trans	-68.7	167.1	178.5	66	0	0	0	0	110.5	N633 D637 F638 I639	N633-T635 VanDerWaalsContact C-N 3.26Å; N633-T635 PolarHBondContact O-N 2.88Å; T635-D637 PolarHBondContact O-N 3.47Å; T635-F638 PolarHBondContact O-N 2.84Å; T635-F638 VanDerWaalsContact O-N 3.15Å; T635-F638 PolarHBondContact OG1-N 3.35Å; T635-F638 VanDerWaalsContact OG1-N 3.15Å; T635-I639 WeakPolarHBondContact O-CG1 3.41Å; T635-I639 PolarHBondContact O-N 2.96Å
636	T	95.7	Very high	95.9	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-40.5	173.2	-61.2	0	0	0	0	111.8	V568 E570 R626 I639 Y640 V655	V568-T636 HydrophobicContact CG1-CG2 4.29Å; E570-T636 WeakPolarHBondContact OE2-CB 3.42Å; E570-T636 PolarHBondContact OE2-OG1 3.45Å; R626-T636 WeakPolarHBondContact CD-OG1 3.28Å; R626-T636 PolarHBondContact NH1-OG1 2.95Å; T636-I639 PolarHBondContact O-N 2.84Å; T636-Y640 VanDerWaalsContact O-CB 3.22Å; T636-Y640 WeakPolarHBondContact O-CB 3.46Å; T636-Y640 PolarHBondContact O-N 2.82Å; T636-V655 HydrophobicContact CG2-CB 4.27Å; T636-V655 HydrophobicContact CG2-CG1 3.3Å; T636-V655 HydrophobicContact CG2-CG2 3.92Å
637	D	95.7	Very high	95.7	Very high	106 Å²	106	59.8 Å²	59.8	57%	0.567	29%	0.286	S	S	*	.	H	α-helix	trans	-67	-40.8	177.2	-62.7	-28.9	0	0	0	112.4	T635 Y640 N641	T635-D637 PolarHBondContact O-N 3.47Å; D637-Y640 WeakPolarHBondContact O-CB 3.21Å; D637-Y640 PolarHBondContact O-N 2.82Å; D637-N641 WeakPolarHBondContact O-CB 3.46Å; D637-N641 VanDerWaalsContact O-CG 3.23Å; D637-N641 PolarHBondContact O-N 2.85Å; D637-N641 PolarHBondContact O-ND2 3.48Å; D637-N641 VanDerWaalsContact O-ND2 3.14Å
638	F	96.6	Very high	95.4	Very high	75 Å²	75	66.4 Å²	66.4	33%	0.329	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-49.9	175.7	176.6	-92	0	0	0	111.2	I601 L604 Y634 T635 Y640 N641 L642	I601-F638 HydrophobicContact CD1-CE1 4.1Å; I601-F638 HydrophobicContact CD1-CZ 3.95Å; L604-F638 HydrophobicContact CD1-CD1 4.49Å; L604-F638 HydrophobicContact CD1-CE1 3.94Å; Y634-F638 AromaticContact CD1-CD1 3.69Å; Y634-F638 HydrophobicContact CD1-CD1 3.69Å; Y634-F638 AromaticContact CD1-CE1 3.5Å; Y634-F638 HydrophobicContact CD1-CE1 3.5Å; Y634-F638 VanDerWaalsContact CD1-CE1 3.5Å; Y634-F638 HydrophobicContact CD1-CG 4.44Å; Y634-F638 HydrophobicContact CD1-CZ 4.12Å; Y634-F638 HydrophobicContact CE1-CE1 4.01Å; Y634-F638 HydrophobicContact CE1-CZ 4.27Å; Y634-F638 HydrophobicContact CG-CD1 4.29Å; Y634-F638 HydrophobicContact CG-CE1 4.31Å; T635-F638 PolarHBondContact O-N 2.84Å; T635-F638 VanDerWaalsContact O-N 3.15Å; T635-F638 PolarHBondContact OG1-N 3.35Å; T635-F638 VanDerWaalsContact OG1-N 3.15Å; F638-Y640 VanDerWaalsContact C-N 3.3Å; F638-Y640 PolarHBondContact O-N 2.9Å; F638-N641 PolarHBondContact O-N 2.93Å; F638-L642 HydrophobicContact CE1-CD2 4.26Å; F638-L642 WeakPolarHBondContact O-CB 3.43Å; F638-L642 PolarHBondContact O-N 3.37Å
639	I	96.4	Very high	95.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-43.5	178.5	-66	175	0	0	0	109.6	V568 Y593 R626 T635 T636 N641 L642 Y643	V568-I639 HydrophobicContact CG1-CG2 4.08Å; V568-I639 HydrophobicContact CG2-CG2 3.99Å; Y593-I639 HydrophobicContact CD2-CD1 3.96Å; Y593-I639 HydrophobicContact CE2-CD1 4.22Å; Y593-I639 HydrophobicContact CE2-CG2 4.46Å; R626-I639 HydrophobicContact CG-CD1 4.18Å; T635-I639 WeakPolarHBondContact O-CG1 3.41Å; T635-I639 PolarHBondContact O-N 2.96Å; T636-I639 PolarHBondContact O-N 2.84Å; I639-N641 PolarHBondContact O-N 2.84Å; I639-L642 PolarHBondContact O-N 3.27Å; I639-Y643 HydrophobicContact CG2-CD1 3.6Å; I639-Y643 HydrophobicContact CG2-CE1 3.56Å; I639-Y643 WeakPolarHBondContact O-CB 3.5Å; I639-Y643 WeakPolarHBondContact O-CD1 3.26Å; I639-Y643 PolarHBondContact O-N 3.45Å
640	Y	96.7	Very high	95	Very high	68 Å²	68	64.4 Å²	64.4	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-57.1	-50.3	175.4	165.5	-110	0	0	0	112.9	T636 D637 F638 L642 Y643 S644 C653 V655	T636-Y640 VanDerWaalsContact O-CB 3.22Å; T636-Y640 WeakPolarHBondContact O-CB 3.46Å; T636-Y640 PolarHBondContact O-N 2.82Å; D637-Y640 WeakPolarHBondContact O-CB 3.21Å; D637-Y640 PolarHBondContact O-N 2.82Å; F638-Y640 VanDerWaalsContact C-N 3.3Å; F638-Y640 PolarHBondContact O-N 2.9Å; Y640-L642 PolarHBondContact O-N 3.37Å; Y640-Y643 PolarHBondContact O-N 3.4Å; Y640-S644 VanDerWaalsContact CE2-OG 3.22Å; Y640-S644 WeakPolarHBondContact CE2-OG 3.46Å; Y640-S644 VanDerWaalsContact O-CB 3.26Å; Y640-S644 WeakPolarHBondContact O-CB 3.39Å; Y640-S644 PolarHBondContact O-N 3.36Å; Y640-S644 PolarHBondContact O-OG 3.46Å; Y640-C653 HydrophobicContact CD2-CB 4.05Å; Y640-C653 HydrophobicContact CE2-CB 4.14Å; Y640-C653 WeakPolarHBondContact CE2-O 3.32Å; Y640-V655 HydrophobicContact CD1-CG2 4.44Å; Y640-V655 HydrophobicContact CD2-CG2 3.7Å; Y640-V655 HydrophobicContact CG-CG2 3.57Å
641	N	96.9	Very high	94.9	Very high	97 Å²	97	64.8 Å²	64.8	52%	0.519	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-43.6	-179.3	-72	-30.9	0	0	0	111.2	D637 F638 I639 S644 E645	D637-N641 WeakPolarHBondContact O-CB 3.46Å; D637-N641 VanDerWaalsContact O-CG 3.23Å; D637-N641 PolarHBondContact O-N 2.85Å; D637-N641 PolarHBondContact O-ND2 3.48Å; D637-N641 VanDerWaalsContact O-ND2 3.14Å; F638-N641 PolarHBondContact O-N 2.93Å; I639-N641 PolarHBondContact O-N 2.84Å; N641-S644 PolarHBondContact O-N 2.87Å; N641-E645 PolarHBondContact O-N 3.26Å
642	L	96.3	Very high	94.8	Very high	30 Å²	30	64.4 Å²	64.4	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-58.8	-52.8	175.8	178.4	67.7	0	0	0	111.5	I601 L604 F638 I639 Y640 S644 E645 E646	I601-L642 HydrophobicContact CD1-CD1 4.28Å; I601-L642 HydrophobicContact CD1-CD2 3.75Å; L604-L642 HydrophobicContact CB-CD2 3.65Å; L604-L642 HydrophobicContact CD1-CD2 3.85Å; L604-L642 HydrophobicContact CG-CD2 4.37Å; F638-L642 HydrophobicContact CE1-CD2 4.26Å; F638-L642 WeakPolarHBondContact O-CB 3.43Å; F638-L642 PolarHBondContact O-N 3.37Å; I639-L642 PolarHBondContact O-N 3.27Å; Y640-L642 PolarHBondContact O-N 3.37Å; L642-S644 VanDerWaalsContact C-N 3.27Å; L642-S644 PolarHBondContact O-N 2.83Å; L642-E645 PolarHBondContact O-N 3.4Å; L642-E646 HydrophobicContact CD1-CG 3.73Å; L642-E646 HydrophobicContact CG-CG 4.4Å; L642-E646 WeakPolarHBondContact O-CB 3.26Å; L642-E646 WeakPolarHBondContact O-CG 3.36Å; L642-E646 PolarHBondContact O-N 3.03Å
643	Y	96.5	Very high	94.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-32.3	-179.9	-85.9	68.3	0	0	0	112.4	V566 Y593 N607 V608 L611 V624 I639 Y640 G647 F651	V566-Y643 HydrophobicContact CG1-CD2 4.27Å; Y593-Y643 PolarHBondContact OH-OH 2.89Å; N607-Y643 VanDerWaalsContact CB-OH 3.27Å; N607-Y643 WeakPolarHBondContact CB-OH 3.4Å; V608-Y643 HydrophobicContact CG2-CD1 3.62Å; V608-Y643 HydrophobicContact CG2-CD2 3.65Å; V608-Y643 HydrophobicContact CG2-CE1 3.65Å; V608-Y643 HydrophobicContact CG2-CE2 3.64Å; V608-Y643 HydrophobicContact CG2-CG 3.65Å; L611-Y643 HydrophobicContact CD1-CD2 4.23Å; L611-Y643 HydrophobicContact CD1-CE2 3.67Å; V624-Y643 HydrophobicContact CG2-CE2 4.13Å; I639-Y643 HydrophobicContact CG2-CD1 3.6Å; I639-Y643 HydrophobicContact CG2-CE1 3.56Å; I639-Y643 WeakPolarHBondContact O-CB 3.5Å; I639-Y643 WeakPolarHBondContact O-CD1 3.26Å; I639-Y643 PolarHBondContact O-N 3.45Å; Y640-Y643 PolarHBondContact O-N 3.4Å; Y643-G647 WeakPolarHBondContact O-CA 3.47Å; Y643-G647 PolarHBondContact O-N 3.39Å; Y643-F651 HydrophobicContact CD2-CE2 4.38Å; Y643-F651 HydrophobicContact CD2-CZ 4.21Å; Y643-F651 WeakPolarHBondContact O-CE2 3.4Å
644	S	95.7	Very high	94.8	Very high	30 Å²	30	54.7 Å²	54.7	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-43.5	177.4	-62.9	0	0	0	0	112.1	Y640 N641 L642 K648 C653	Y640-S644 VanDerWaalsContact CE2-OG 3.22Å; Y640-S644 WeakPolarHBondContact CE2-OG 3.46Å; Y640-S644 VanDerWaalsContact O-CB 3.26Å; Y640-S644 WeakPolarHBondContact O-CB 3.39Å; Y640-S644 PolarHBondContact O-N 3.36Å; Y640-S644 PolarHBondContact O-OG 3.46Å; N641-S644 PolarHBondContact O-N 2.87Å; L642-S644 VanDerWaalsContact C-N 3.27Å; L642-S644 PolarHBondContact O-N 2.83Å; S644-K648 PolarHBondContact O-N 3.06Å; S644-C653 WeakPolarHBondContact OG-CB 3.36Å
645	E	96.1	Very high	94.9	Very high	113 Å²	113	54.6 Å²	54.6	53%	0.528	29%	0.288	S	S	.	.	H	α-helix	trans	-79.7	-45	-177.9	-166.7	58.6	-151.1	0	0	111.9	N641 L642 G647 K648	N641-E645 PolarHBondContact O-N 3.26Å; L642-E645 PolarHBondContact O-N 3.4Å; E645-G647 VanDerWaalsContact C-N 3.32Å; E645-G647 PolarHBondContact O-N 2.98Å; E645-K648 WeakPolarHBondContact O-CB 3.49Å; E645-K648 PolarHBondContact O-N 3.46Å; E645-K648 WeakPolarHBondContact OE1-CD 3.48Å; E645-K648 IonicContact OE1-NZ 2.85Å; E645-K648 PolarHBondContact OE1-NZ 3.21Å; E645-K648 IonicContact OE2-NZ 3.19Å; E645-K648 PolarHBondContact OE2-NZ 3.26Å
646	E	94.5	Very high	94.9	Very high	109 Å²	109	55.1 Å²	55.1	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-72.6	-26.4	179.4	-63.9	-66	143.7	0	0	112.4	V608 L642 K648	V608-E646 HydrophobicContact CG1-CB 3.72Å; L642-E646 HydrophobicContact CD1-CG 3.73Å; L642-E646 HydrophobicContact CG-CG 4.4Å; L642-E646 WeakPolarHBondContact O-CB 3.26Å; L642-E646 WeakPolarHBondContact O-CG 3.36Å; L642-E646 PolarHBondContact O-N 3.03Å; E646-K648 VanDerWaalsContact C-N 3.33Å
647	G	92	Very high	95	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.9	175.6	0	0	0	0	0	114.6	Y643 E645 G649 V650 F651	Y643-G647 WeakPolarHBondContact O-CA 3.47Å; Y643-G647 PolarHBondContact O-N 3.39Å; E645-G647 VanDerWaalsContact C-N 3.32Å; E645-G647 PolarHBondContact O-N 2.98Å; G647-G649 PolarHBondContact O-N 3.09Å; G647-V650 WeakPolarHBondContact O-CA 3.45Å; G647-V650 WeakPolarHBondContact O-CB 3.36Å; G647-V650 PolarHBondContact O-N 3.32Å; G647-F651 PolarHBondContact O-N 3.02Å
648	K	92.4	Very high	95	Very high	138 Å²	138	54 Å²	54	60%	0.6	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	134.8	-170.7	-168.8	173.4	-172.5	165.5	0	112.4	S644 E645 E646 V650	S644-K648 PolarHBondContact O-N 3.06Å; E645-K648 WeakPolarHBondContact O-CB 3.49Å; E645-K648 PolarHBondContact O-N 3.46Å; E645-K648 WeakPolarHBondContact OE1-CD 3.48Å; E645-K648 IonicContact OE1-NZ 2.85Å; E645-K648 PolarHBondContact OE1-NZ 3.21Å; E645-K648 IonicContact OE2-NZ 3.19Å; E645-K648 PolarHBondContact OE2-NZ 3.26Å; E646-K648 VanDerWaalsContact C-N 3.33Å; K648-V650 PolarHBondContact O-N 2.87Å
649	G	88.9	Confident	95	Very high	77 Å²	77	51.4 Å²	51.4	79%	0.794	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-11.8	-174	0	0	0	0	0	114.7	G647	G647-G649 PolarHBondContact O-N 3.09Å
650	V	92.1	Very high	94.9	Very high	39 Å²	39	57.9 Å²	57.9	24%	0.236	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-48.1	177	-173.8	0	0	0	0	111.7	R564 A612 M615 G647 K648	R564-V650 WeakPolarHBondContact CD-O 3.39Å; A612-V650 HydrophobicContact CB-CG1 4.09Å; M615-V650 HydrophobicContact CB-CG1 3.85Å; G647-V650 WeakPolarHBondContact O-CA 3.45Å; G647-V650 WeakPolarHBondContact O-CB 3.36Å; G647-V650 PolarHBondContact O-N 3.32Å; K648-V650 PolarHBondContact O-N 2.87Å
651	F	93.4	Very high	94.8	Very high	13 Å²	13	61.3 Å²	61.3	6%	0.057	33%	0.332	C	S	.	.			trans	-148.7	159.5	177.8	63.8	-103	0	0	0	112.9	R564 V566 V608 L611 A612 M615 Y643 G647	R564-F651 HydrophobicContact CB-CB 4.44Å; R564-F651 CarbonylContact O-C 3.42Å; R564-F651 WeakPolarHBondContact O-CA 3.33Å; R564-F651 VanDerWaalsContact O-CB 3.23Å; R564-F651 WeakPolarHBondContact O-CB 3.39Å; V566-F651 HydrophobicContact CB-CD2 3.93Å; V566-F651 HydrophobicContact CB-CE2 3.98Å; V566-F651 HydrophobicContact CG2-CB 4.37Å; V566-F651 HydrophobicContact CG2-CD1 4.18Å; V566-F651 HydrophobicContact CG2-CD2 3.36Å; V566-F651 HydrophobicContact CG2-CE1 4.3Å; V566-F651 HydrophobicContact CG2-CE2 3.53Å; V566-F651 HydrophobicContact CG2-CG 3.72Å; V566-F651 HydrophobicContact CG2-CZ 4Å; V608-F651 HydrophobicContact CG1-CZ 4.17Å; L611-F651 HydrophobicContact CB-CE1 4.19Å; A612-F651 HydrophobicContact CB-CE1 4.27Å; M615-F651 HydrophobicContact CE-CB 4.03Å; M615-F651 HydrophobicContact CE-CG 4.33Å; M615-F651 HydrophobicContact CG-CB 4.15Å; M615-F651 HydrophobicContact CG-CD1 4Å; M615-F651 HydrophobicContact CG-CG 4.43Å; M615-F651 HydrophobicContact SD-CB 4.36Å; Y643-F651 HydrophobicContact CD2-CE2 4.38Å; Y643-F651 HydrophobicContact CD2-CZ 4.21Å; Y643-F651 WeakPolarHBondContact O-CE2 3.4Å; G647-F651 PolarHBondContact O-N 3.02Å
652	D	93.3	Very high	94.8	Very high	52 Å²	52	56.8 Å²	56.8	28%	0.278	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.2	170.2	-178.7	26.9	0	0	0	109.8	R564 R565 V566 R654	R564-D652 PolarHBondContact O-N 3.07Å; R565-D652 CarbonylContact C-O 3.51Å; R565-D652 WeakPolarHBondContact CA-O 3.26Å; R565-D652 IonicContact CZ-OD2 2.69Å; R565-D652 IonicContact NE-OD2 3.57Å; R565-D652 PolarHBondContact NE-OD2 3.08Å; R565-D652 IonicContact NH2-OD2 3.36Å; R565-D652 PolarHBondContact NH2-OD2 2.95Å; V566-D652 PolarHBondContact N-O 3.09Å; D652-R654 IonicContact OD1-CZ 3.17Å; D652-R654 IonicContact OD1-NH1 3.21Å; D652-R654 PolarHBondContact OD1-NH1 3.29Å; D652-R654 IonicContact OD1-NH2 3.44Å; D652-R654 PolarHBondContact OD1-NH2 3.06Å; D652-R654 IonicContact OD2-CZ 2.84Å; D652-R654 IonicContact OD2-NE 3.27Å; D652-R654 IonicContact OD2-NH1 3.46Å; D652-R654 PolarHBondContact OD2-NH1 3.11Å; D652-R654 IonicContact OD2-NH2 2.76Å; D652-R654 PolarHBondContact OD2-NH2 3.17Å
653	C	95.2	Very high	94.7	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	147.2	176.8	-163.4	0	0	0	0	110.7	V566 Y640 S644	V566-C653 CarbonylContact O-C 3.6Å; V566-C653 WeakPolarHBondContact O-CA 3.39Å; Y640-C653 HydrophobicContact CD2-CB 4.05Å; Y640-C653 HydrophobicContact CE2-CB 4.14Å; Y640-C653 WeakPolarHBondContact CE2-O 3.32Å; S644-C653 WeakPolarHBondContact OG-CB 3.36Å
654	R	96.1	Very high	94.6	Very high	93 Å²	93	59.1 Å²	59.1	35%	0.351	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153	173	-70.3	-66.2	175.7	-98.8	-2.3	110.2	V566 F567 V568 D652	V566-R654 PolarHBondContact O-N 2.86Å; F567-R654 CarbonylContact C-O 3.55Å; F567-R654 WeakPolarHBondContact CA-O 3.39Å; F567-R654 HydrophobicContact CD1-CB 3.61Å; F567-R654 HydrophobicContact CE1-CB 3.44Å; F567-R654 VanDerWaalsContact CE1-CB 3.44Å; F567-R654 HydrophobicContact CE1-CG 4.18Å; F567-R654 HydrophobicContact CG-CB 4.33Å; F567-R654 HydrophobicContact CZ-CB 4.02Å; F567-R654 HydrophobicContact CZ-CG 4.34Å; V568-R654 PolarHBondContact N-O 3.29Å; D652-R654 IonicContact OD1-CZ 3.17Å; D652-R654 IonicContact OD1-NH1 3.21Å; D652-R654 PolarHBondContact OD1-NH1 3.29Å; D652-R654 IonicContact OD1-NH2 3.44Å; D652-R654 PolarHBondContact OD1-NH2 3.06Å; D652-R654 IonicContact OD2-CZ 2.84Å; D652-R654 IonicContact OD2-NE 3.27Å; D652-R654 IonicContact OD2-NH1 3.46Å; D652-R654 PolarHBondContact OD2-NH1 3.11Å; D652-R654 IonicContact OD2-NH2 2.76Å; D652-R654 PolarHBondContact OD2-NH2 3.17Å
655	V	96.4	Very high	94.4	Very high	45 Å²	45	60.5 Å²	60.5	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.3	176.5	172.2	0	0	0	0	109.9	V568 T636 Y640 V657	V568-V655 CarbonylContact O-C 3.31Å; V568-V655 WeakPolarHBondContact O-CA 3.38Å; T636-V655 HydrophobicContact CG2-CB 4.27Å; T636-V655 HydrophobicContact CG2-CG1 3.3Å; T636-V655 HydrophobicContact CG2-CG2 3.92Å; Y640-V655 HydrophobicContact CD1-CG2 4.44Å; Y640-V655 HydrophobicContact CD2-CG2 3.7Å; Y640-V655 HydrophobicContact CG-CG2 3.57Å; V655-V657 HydrophobicContact CG1-CG2 4.26Å
656	N	96.9	Very high	94.3	Very high	65 Å²	65	57.8 Å²	57.8	35%	0.348	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.4	163.7	-154.3	82.5	0	0	0	110.6	I555 V568 V569 E570	I555-N656 HydrophobicContact CD1-CB 3.8Å; V568-N656 PolarHBondContact O-N 2.89Å; V569-N656 CarbonylContact C-O 3.59Å; V569-N656 VanDerWaalsContact CA-O 3.27Å; V569-N656 WeakPolarHBondContact CA-O 3.49Å; V569-N656 HydrophobicContact CG2-CB 4.45Å; E570-N656 PolarHBondContact N-O 3.38Å
657	V	97	Very high	94.4	Very high	79 Å²	79	52.7 Å²	52.7	48%	0.479	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112.3	172.8	-178.9	0	0	0	0	107.8	E570 V655 G659	E570-V657 HydrophobicContact CB-CB 4.39Å; E570-V657 HydrophobicContact CB-CG1 4.28Å; E570-V657 HydrophobicContact CB-CG2 4.05Å; V655-V657 HydrophobicContact CG1-CG2 4.26Å; V657-G659 VanDerWaalsContact C-N 3.29Å; V657-G659 PolarHBondContact O-N 3.43Å
658	L	96.2	Very high	94.7	Very high	11 Å²	11	53 Å²	53	6%	0.058	32%	0.321	C	S	.	.			trans	-68.3	-32.6	-177.9	-64.4	177.8	0	0	0	112	A548 I555 V569 E570 T571 Q662	A548-L658 HydrophobicContact CB-CD1 3.92Å; I555-L658 HydrophobicContact CD1-CD2 4.27Å; V569-L658 HydrophobicContact CG1-CD1 3.78Å; V569-L658 HydrophobicContact CG1-CD2 4.08Å; V569-L658 HydrophobicContact CG1-CG 3.62Å; E570-L658 PolarHBondContact O-N 3.02Å; T571-L658 HydrophobicContact CG2-CD1 4.41Å; L658-Q662 HydrophobicContact CB-CG 3.75Å; L658-Q662 HydrophobicContact CD1-CG 4.15Å
659	G	95.7	Very high	94.9	Very high	20 Å²	20	46.6 Å²	46.6	21%	0.206	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	54.8	-141.8	178.1	0	0	0	0	0	112.7	M572 V657 L661 Q662	M572-G659 VanDerWaalsContact SD-O 3.35Å; V657-G659 VanDerWaalsContact C-N 3.29Å; V657-G659 PolarHBondContact O-N 3.43Å; G659-L661 PolarHBondContact O-N 3Å; G659-L661 VanDerWaalsContact O-N 3.14Å; G659-Q662 WeakPolarHBondContact O-CB 3.45Å; G659-Q662 WeakPolarHBondContact O-CG 3.46Å; G659-Q662 PolarHBondContact O-N 3.23Å; G659-Q662 PolarHBondContact O-NE2 3.31Å
660	H	95.5	Very high	95.3	Very high	135 Å²	135	45.1 Å²	45.1	63%	0.625	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-69.2	-10.3	-172	-69.4	82.4	0	0	0	115	Q662 Q663	H660-Q662 PolarHBondContact O-N 3.4Å; H660-Q662 VanDerWaalsContact O-N 3.09Å; H660-Q663 WeakPolarHBondContact O-CB 3.45Å; H660-Q663 PolarHBondContact O-N 2.9Å
661	L	94.9	Very high	95.5	Very high	141 Å²	141	43.3 Å²	43.3	74%	0.738	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-57.1	-25.3	171.5	-63.2	176.7	0	0	0	111.8	A547 G659 Q663 G664	A547-L661 WeakPolarHBondContact CB-O 3.18Å; G659-L661 PolarHBondContact O-N 3Å; G659-L661 VanDerWaalsContact O-N 3.14Å; L661-Q663 PolarHBondContact O-N 2.89Å; L661-G664 PolarHBondContact O-N 3.28Å
662	Q	96.3	Very high	95.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.7	-13.2	176.5	-64.4	170.9	93.8	0	0	113.8	I528 A544 A548 M572 L579 L658 G659 H660 G664	I528-Q662 HydrophobicContact CD1-CB 4.49Å; A544-Q662 WeakPolarHBondContact CA-O 3.43Å; A544-Q662 WeakPolarHBondContact CB-O 3.25Å; A548-Q662 HydrophobicContact CB-CG 4.27Å; M572-Q662 VanDerWaalsContact CG-NE2 3.29Å; M572-Q662 VanDerWaalsContact N-NE2 3.16Å; M572-Q662 HydrophobicContact SD-CB 4.48Å; L579-Q662 HydrophobicContact CD2-CB 4.44Å; L658-Q662 HydrophobicContact CB-CG 3.75Å; L658-Q662 HydrophobicContact CD1-CG 4.15Å; G659-Q662 WeakPolarHBondContact O-CB 3.45Å; G659-Q662 WeakPolarHBondContact O-CG 3.46Å; G659-Q662 PolarHBondContact O-N 3.23Å; G659-Q662 PolarHBondContact O-NE2 3.31Å; H660-Q662 PolarHBondContact O-N 3.4Å; H660-Q662 VanDerWaalsContact O-N 3.09Å; Q662-G664 PolarHBondContact O-N 3.33Å
663	Q	94.2	Very high	95.9	Very high	45 Å²	45	41.2 Å²	41.2	21%	0.21	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-72.4	-14.4	170.2	-67.4	179.3	-3.1	0	0	112.3	I528 H660 L661	I528-Q663 HydrophobicContact CD1-CG 4.29Å; I528-Q663 HydrophobicContact CG2-CG 4.38Å; H660-Q663 WeakPolarHBondContact O-CB 3.45Å; H660-Q663 PolarHBondContact O-N 2.9Å; L661-Q663 PolarHBondContact O-N 2.89Å
664	G	93.2	Very high	95.9	Very high	34 Å²	34	41.8 Å²	41.8	35%	0.351	25%	0.246	S	C	.	.			trans	73.5	-179.1	-174.5	0	0	0	0	0	112.8	L661 Q662	L661-G664 PolarHBondContact O-N 3.28Å; Q662-G664 PolarHBondContact O-N 3.33Å
665	G	92.4	Very high	95.9	Very high	58 Å²	58	37.3 Å²	37.3	60%	0.598	23%	0.229	S	C	*	.	S	Bend	trans	-106.8	-95.1	170.9	0	0	0	0	0	109.3	G462	G462-G665 VanDerWaalsContact CA-O 3.28Å; G462-G665 WeakPolarHBondContact CA-O 3.34Å
666	A	93.6	Very high	95.9	Very high	57 Å²	57	35.2 Å²	35.2	47%	0.471	22%	0.216	S	C	.	.	S	Bend	trans	-72.4	136.9	170.3	0	0	0	0	0	110.2
667	P	96.9	Very high	95.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.013	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-64	149.1	178.3	24.3	-31.1	0	0	0	111.3	G460 D671 R672	G460-P667 WeakPolarHBondContact O-CD 3.29Å; P667-D671 HydrophobicContact CB-CB 4.36Å; P667-R672 HydrophobicContact CB-CG 3.96Å; P667-R672 HydrophobicContact CG-CG 3.65Å; P667-R672 PolarHBondContact O-NE 2.87Å; P667-R672 PolarHBondContact O-NH2 3.29Å
668	S	97.9	Very high	95.9	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.042	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-63.5	157.8	175.1	72.5	0	0	0	0	111.8	D542 T543 F670 D671 R672	D542-S668 WeakPolarHBondContact OD2-CB 3.38Å; D542-S668 PolarHBondContact OD2-OG 3.18Å; T543-S668 PolarHBondContact OG1-N 2.9Å; S668-F670 PolarHBondContact O-N 3.45Å; S668-D671 PolarHBondContact O-N 2.82Å; S668-D671 PolarHBondContact OG-N 3.35Å; S668-D671 VanDerWaalsContact OG-N 3.17Å; S668-R672 VanDerWaalsContact O-CG 3.32Å; S668-R672 WeakPolarHBondContact O-CG 3.34Å; S668-R672 PolarHBondContact O-N 3.08Å
669	P	97.3	Very high	95.9	Very high	4 Å²	4	30 Å²	30	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-55.1	-37.9	174.7	-19.4	29.3	0	0	0	112.4	L182 H183 M186 N673	L182-P669 HydrophobicContact CB-CB 3.85Å; L182-P669 HydrophobicContact CB-CG 4.04Å; H183-P669 HydrophobicContact CB-CG 4.35Å; H183-P669 WeakPolarHBondContact NE2-CD 3.18Å; M186-P669 HydrophobicContact CB-CG 4.08Å; M186-P669 HydrophobicContact CG-CB 3.93Å; M186-P669 HydrophobicContact CG-CG 3.78Å; P669-N673 WeakPolarHBondContact O-CB 3.22Å; P669-N673 PolarHBondContact O-N 3.18Å
670	F	96.3	Very high	95.9	Very high	46 Å²	46	29 Å²	29	20%	0.202	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-54.8	174.9	-177.5	-89	0	0	0	111.2	D542 S668 R672 N673 F674	D542-F670 HydrophobicContact CB-CB 4.29Å; D542-F670 HydrophobicContact CB-CD1 3.73Å; D542-F670 HydrophobicContact CB-CE1 4.48Å; D542-F670 HydrophobicContact CB-CG 4.26Å; S668-F670 PolarHBondContact O-N 3.45Å; F670-R672 VanDerWaalsContact C-N 3.33Å; F670-R672 PolarHBondContact O-N 3.02Å; F670-N673 PolarHBondContact O-N 3.05Å; F670-F674 HydrophobicContact CD1-CB 4.43Å; F670-F674 HydrophobicContact CE1-CB 4.21Å; F670-F674 AromaticContact CE1-CD1 3.99Å; F670-F674 HydrophobicContact CE1-CD1 3.99Å; F670-F674 HydrophobicContact CE1-CG 4.24Å; F670-F674 HydrophobicContact CZ-CD1 4.5Å; F670-F674 HydrophobicContact CZ-CG 4.5Å; F670-F674 WeakPolarHBondContact O-CB 3.46Å; F670-F674 PolarHBondContact O-N 3.43Å
671	D	97.8	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-32.6	-178	-81.3	-41.7	0	0	0	113	G540 T543 P667 S668 G675	G540-D671 WeakPolarHBondContact CA-OD2 3.39Å; G540-D671 PolarHBondContact N-OD1 3.26Å; G540-D671 PolarHBondContact N-OD2 3.48Å; T543-D671 VanDerWaalsContact CB-OD2 3.24Å; T543-D671 WeakPolarHBondContact CB-OD2 3.21Å; T543-D671 PolarHBondContact N-OD2 3.12Å; T543-D671 PolarHBondContact OG1-OD2 3.5Å; P667-D671 HydrophobicContact CB-CB 4.36Å; S668-D671 PolarHBondContact O-N 2.82Å; S668-D671 PolarHBondContact OG-N 3.35Å; S668-D671 VanDerWaalsContact OG-N 3.17Å; D671-G675 PolarHBondContact O-N 3.2Å
672	R	97.6	Very high	96.1	Very high	5 Å²	5	18 Å²	18	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-49.9	173.5	-68	-174.1	-155.2	-162.5	4.7	111.9	M186 D190 A222 T459 G460 P667 S668 F670 T676	M186-R672 VanDerWaalsContact CE-NH1 3.31Å; D190-R672 IonicContact OD1-CZ 3.96Å; D190-R672 IonicContact OD1-NH1 3.87Å; D190-R672 PolarHBondContact OD1-NH1 3.08Å; D190-R672 IonicContact OD1-NH2 2.72Å; D190-R672 IonicContact OD2-CZ 2.74Å; D190-R672 IonicContact OD2-NH1 3.81Å; D190-R672 PolarHBondContact OD2-NH1 3.13Å; D190-R672 IonicContact OD2-NH2 3.26Å; D190-R672 PolarHBondContact OD2-NH2 2.8Å; A222-R672 HydrophobicContact CB-CB 3.89Å; A222-R672 VanDerWaalsContact O-CD 3.23Å; A222-R672 WeakPolarHBondContact O-CD 3.43Å; T459-R672 HydrophobicContact CG2-CB 4.31Å; T459-R672 WeakPolarHBondContact O-CG 3.44Å; G460-R672 VanDerWaalsContact CA-NH1 3.3Å; P667-R672 HydrophobicContact CB-CG 3.96Å; P667-R672 HydrophobicContact CG-CG 3.65Å; P667-R672 PolarHBondContact O-NE 2.87Å; P667-R672 PolarHBondContact O-NH2 3.29Å; S668-R672 VanDerWaalsContact O-CG 3.32Å; S668-R672 WeakPolarHBondContact O-CG 3.34Å; S668-R672 PolarHBondContact O-N 3.08Å; F670-R672 VanDerWaalsContact C-N 3.33Å; F670-R672 PolarHBondContact O-N 3.02Å; R672-T676 WeakPolarHBondContact O-CB 3.44Å; R672-T676 PolarHBondContact O-N 2.98Å; R672-T676 PolarHBondContact O-OG1 3.28Å
673	N	96.2	Very high	96.1	Very high	16 Å²	16	17.9 Å²	17.9	9%	0.086	12%	0.117	C	C	.	.	H	α-helix	trans	-66.5	-47.1	179.6	-176.9	30.8	0	0	0	110.6	V218 L221 P669 F670 G675 T676 K677	V218-N673 HydrophobicContact CG1-CB 4.17Å; L221-N673 WeakPolarHBondContact CD1-OD1 3.48Å; P669-N673 WeakPolarHBondContact O-CB 3.22Å; P669-N673 PolarHBondContact O-N 3.18Å; F670-N673 PolarHBondContact O-N 3.05Å; N673-G675 PolarHBondContact O-N 3.25Å; N673-T676 WeakPolarHBondContact O-CB 3.44Å; N673-T676 PolarHBondContact O-N 3.44Å; N673-K677 VanDerWaalsContact O-CG 3.29Å; N673-K677 WeakPolarHBondContact O-CG 3.41Å; N673-K677 PolarHBondContact O-N 2.87Å
674	F	95.6	Very high	96.2	Very high	13 Å²	13	19.6 Å²	19.6	6%	0.057	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-45.6	-180	-170.8	-138.4	0	0	0	111.4	F537 L539 F670 T676 K677 L678 L712	F537-F674 HydrophobicContact CB-CE1 4.14Å; F537-F674 WeakPolarHBondContact O-CE1 3.41Å; L539-F674 HydrophobicContact CD2-CB 4.08Å; L539-F674 HydrophobicContact CD2-CD1 3.5Å; L539-F674 VanDerWaalsContact CD2-CD1 3.5Å; L539-F674 HydrophobicContact CD2-CE1 4.22Å; L539-F674 HydrophobicContact CD2-CG 4.02Å; L539-F674 HydrophobicContact CG-CD1 4.46Å; F670-F674 HydrophobicContact CD1-CB 4.43Å; F670-F674 HydrophobicContact CE1-CB 4.21Å; F670-F674 AromaticContact CE1-CD1 3.99Å; F670-F674 HydrophobicContact CE1-CD1 3.99Å; F670-F674 HydrophobicContact CE1-CG 4.24Å; F670-F674 HydrophobicContact CZ-CD1 4.5Å; F670-F674 HydrophobicContact CZ-CG 4.5Å; F670-F674 WeakPolarHBondContact O-CB 3.46Å; F670-F674 PolarHBondContact O-N 3.43Å; F674-T676 VanDerWaalsContact C-N 3.33Å; F674-T676 PolarHBondContact O-N 3.23Å; F674-K677 PolarHBondContact O-N 3.48Å; F674-K677 VanDerWaalsContact O-N 3.16Å; F674-L678 HydrophobicContact CD1-CD1 4.18Å; F674-L678 HydrophobicContact CD2-CD1 4.29Å; F674-L678 HydrophobicContact CD2-CD2 4.29Å; F674-L678 HydrophobicContact CD2-CG 4.02Å; F674-L678 HydrophobicContact CE1-CD1 3.77Å; F674-L678 HydrophobicContact CE2-CD1 3.91Å; F674-L678 HydrophobicContact CE2-CD2 3.68Å; F674-L678 HydrophobicContact CE2-CG 3.79Å; F674-L678 HydrophobicContact CG-CD1 4.41Å; F674-L678 HydrophobicContact CG-CG 4.47Å; F674-L678 HydrophobicContact CZ-CD1 3.63Å; F674-L678 HydrophobicContact CZ-CD2 4.04Å; F674-L678 HydrophobicContact CZ-CG 4.06Å; F674-L678 WeakPolarHBondContact O-CG 3.08Å; F674-L678 PolarHBondContact O-N 3.11Å; F674-L712 HydrophobicContact CE2-CB 4.13Å; F674-L712 HydrophobicContact CE2-CD2 4Å; F674-L712 HydrophobicContact CZ-CB 3.85Å; F674-L712 HydrophobicContact CZ-CD2 4.08Å
675	G	96.8	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-45.5	174.2	0	0	0	0	0	112	A417 L539 D671 N673 K677 L678 G679	A417-G675 WeakPolarHBondContact CA-O 3.39Å; A417-G675 WeakPolarHBondContact CB-O 3.36Å; L539-G675 VanDerWaalsContact CD2-CA 3.4Å; L539-G675 VanDerWaalsContact CD2-N 3.25Å; D671-G675 PolarHBondContact O-N 3.2Å; N673-G675 PolarHBondContact O-N 3.25Å; G675-K677 VanDerWaalsContact C-N 3.33Å; G675-K677 PolarHBondContact O-N 3.46Å; G675-L678 PolarHBondContact O-N 3.04Å; G675-G679 PolarHBondContact O-N 3.38Å
676	T	96.7	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.9	-48.2	175.4	-62.2	0	0	0	0	111.3	L221 I384 L388 S420 R672 N673 F674 V680	L221-T676 HydrophobicContact CD2-CG2 4.3Å; I384-T676 HydrophobicContact CG2-CG2 4.39Å; L388-T676 HydrophobicContact CD1-CG2 3.48Å; L388-T676 VanDerWaalsContact CD1-CG2 3.48Å; S420-T676 VanDerWaalsContact CB-O 3.25Å; S420-T676 WeakPolarHBondContact CB-O 3.32Å; S420-T676 WeakPolarHBondContact OG-CA 3.32Å; S420-T676 PolarHBondContact OG-O 2.75Å; R672-T676 WeakPolarHBondContact O-CB 3.44Å; R672-T676 PolarHBondContact O-N 2.98Å; R672-T676 PolarHBondContact O-OG1 3.28Å; N673-T676 WeakPolarHBondContact O-CB 3.44Å; N673-T676 PolarHBondContact O-N 3.44Å; F674-T676 VanDerWaalsContact C-N 3.33Å; F674-T676 PolarHBondContact O-N 3.23Å; T676-V680 WeakPolarHBondContact O-CG2 3.49Å; T676-V680 PolarHBondContact O-N 3.07Å
677	K	95.3	Very high	96.6	Very high	43 Å²	43	14.3 Å²	14.3	19%	0.187	7%	0.067	C	C	.	.	H	α-helix	trans	-63.4	-46.1	179.6	-67.8	171.7	66.8	157.5	0	112.6	N381 I384 N673 F674 G675 V680 K681	N381-K677 WeakPolarHBondContact OD1-CD 3.36Å; N381-K677 WeakPolarHBondContact OD1-CE 3.32Å; N381-K677 PolarHBondContact OD1-NZ 3.34Å; I384-K677 HydrophobicContact CD1-CB 4.12Å; I384-K677 HydrophobicContact CD1-CG 3.8Å; N673-K677 VanDerWaalsContact O-CG 3.29Å; N673-K677 WeakPolarHBondContact O-CG 3.41Å; N673-K677 PolarHBondContact O-N 2.87Å; F674-K677 PolarHBondContact O-N 3.48Å; F674-K677 VanDerWaalsContact O-N 3.16Å; G675-K677 VanDerWaalsContact C-N 3.33Å; G675-K677 PolarHBondContact O-N 3.46Å; K677-V680 PolarHBondContact O-N 2.86Å; K677-K681 PolarHBondContact O-N 3.28Å
678	L	96.8	Very high	96.5	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-64.9	-41.2	-179.5	-65.9	-173.8	0	0	0	111.6	I524 L539 F674 G675 V680 K681 A682 L710 V717	I524-L678 HydrophobicContact CD1-CB 4.04Å; I524-L678 HydrophobicContact CG1-CB 4.38Å; I524-L678 HydrophobicContact CG2-CB 4.04Å; I524-L678 HydrophobicContact CG2-CD1 3.7Å; L539-L678 HydrophobicContact CD1-CD1 4.43Å; L539-L678 HydrophobicContact CD2-CD1 4.19Å; L539-L678 HydrophobicContact CG-CD1 4.18Å; F674-L678 HydrophobicContact CD1-CD1 4.18Å; F674-L678 HydrophobicContact CD2-CD1 4.29Å; F674-L678 HydrophobicContact CD2-CD2 4.29Å; F674-L678 HydrophobicContact CD2-CG 4.02Å; F674-L678 HydrophobicContact CE1-CD1 3.77Å; F674-L678 HydrophobicContact CE2-CD1 3.91Å; F674-L678 HydrophobicContact CE2-CD2 3.68Å; F674-L678 HydrophobicContact CE2-CG 3.79Å; F674-L678 HydrophobicContact CG-CD1 4.41Å; F674-L678 HydrophobicContact CG-CG 4.47Å; F674-L678 HydrophobicContact CZ-CD1 3.63Å; F674-L678 HydrophobicContact CZ-CD2 4.04Å; F674-L678 HydrophobicContact CZ-CG 4.06Å; F674-L678 WeakPolarHBondContact O-CG 3.08Å; F674-L678 PolarHBondContact O-N 3.11Å; G675-L678 PolarHBondContact O-N 3.04Å; L678-V680 VanDerWaalsContact C-N 3.35Å; L678-V680 PolarHBondContact O-N 3.41Å; L678-K681 PolarHBondContact O-N 3.09Å; L678-A682 WeakPolarHBondContact O-CB 3.23Å; L678-A682 PolarHBondContact O-N 2.78Å; L678-L710 HydrophobicContact CB-CD2 4.2Å; L678-L710 HydrophobicContact CD2-CD2 4Å; L678-L710 HydrophobicContact CD2-CG 4.07Å; L678-L710 WeakPolarHBondContact O-CD2 3.42Å; L678-V717 HydrophobicContact CD2-CG1 4.26Å
679	G	97.3	Very high	96.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-38.5	176.5	0	0	0	0	0	113	S420 G675 I683	S420-G679 VanDerWaalsContact OG-CA 3.31Å; S420-G679 WeakPolarHBondContact OG-CA 3.48Å; G675-G679 PolarHBondContact O-N 3.38Å; G679-I683 WeakPolarHBondContact O-CG1 3.43Å; G679-I683 PolarHBondContact O-N 3.17Å
680	V	96.1	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.2	-52.7	173.7	173.5	0	0	0	0	111.3	I384 L387 L388 V424 T676 K677 L678 A682 I683 Q684	I384-V680 HydrophobicContact CG1-CG1 4.22Å; I384-V680 HydrophobicContact CG2-CB 4.46Å; I384-V680 HydrophobicContact CG2-CG2 3.91Å; L387-V680 HydrophobicContact CD2-CG1 3.65Å; L388-V680 HydrophobicContact CD1-CG2 4.08Å; L388-V680 HydrophobicContact CD2-CG2 4.08Å; L388-V680 HydrophobicContact CG-CG2 4.17Å; V424-V680 HydrophobicContact CG2-CB 4.27Å; V424-V680 HydrophobicContact CG2-CG1 4.16Å; V424-V680 HydrophobicContact CG2-CG2 3.68Å; T676-V680 WeakPolarHBondContact O-CG2 3.49Å; T676-V680 PolarHBondContact O-N 3.07Å; K677-V680 PolarHBondContact O-N 2.86Å; L678-V680 VanDerWaalsContact C-N 3.35Å; L678-V680 PolarHBondContact O-N 3.41Å; V680-A682 VanDerWaalsContact C-N 3.3Å; V680-A682 PolarHBondContact O-N 3.07Å; V680-I683 PolarHBondContact O-N 3.44Å; V680-Q684 HydrophobicContact CG1-CG 4.4Å; V680-Q684 WeakPolarHBondContact O-CG 3.35Å; V680-Q684 PolarHBondContact O-N 2.89Å
681	K	96.3	Very high	95.9	Very high	43 Å²	43	23.8 Å²	23.8	19%	0.187	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-39.7	-179.2	-80.3	-140.3	175.5	-161.9	0	111.9	K677 L678 I683 Q684 W685 L710 V717 G779	K677-K681 PolarHBondContact O-N 3.28Å; L678-K681 PolarHBondContact O-N 3.09Å; K681-I683 PolarHBondContact O-N 3.4Å; K681-Q684 PolarHBondContact O-N 3.32Å; K681-W685 WeakPolarHBondContact O-CB 3.31Å; K681-W685 PolarHBondContact O-N 3.33Å; K681-L710 HydrophobicContact CB-CD2 4.2Å; K681-V717 HydrophobicContact CD-CB 4.13Å; K681-V717 HydrophobicContact CD-CG1 3.89Å; K681-G779 PolarHBondContact NZ-O 3.42Å
682	A	97.8	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-43.9	178.8	0	0	0	0	0	112.1	L493 I524 L678 V680 L686 L710	L493-A682 HydrophobicContact CD1-CB 3.77Å; L493-A682 HydrophobicContact CD2-CB 4.49Å; I524-A682 HydrophobicContact CD1-CB 3.85Å; I524-A682 HydrophobicContact CG1-CB 4.23Å; L678-A682 WeakPolarHBondContact O-CB 3.23Å; L678-A682 PolarHBondContact O-N 2.78Å; V680-A682 VanDerWaalsContact C-N 3.3Å; V680-A682 PolarHBondContact O-N 3.07Å; A682-L686 WeakPolarHBondContact O-CB 3.47Å; A682-L686 VanDerWaalsContact O-CG 3.27Å; A682-L686 WeakPolarHBondContact O-CG 3.36Å; A682-L686 PolarHBondContact O-N 3.24Å; A682-L710 HydrophobicContact CB-CD2 3.86Å
683	I	97.3	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.4	-43.4	178.6	-66.5	-58.9	0	0	0	111.7	V402 A421 V424 A425 L428 L493 G679 V680 K681 W685 L686 S687	V402-I683 HydrophobicContact CG1-CD1 4.13Å; A421-I683 HydrophobicContact CB-CD1 4.07Å; A421-I683 HydrophobicContact CB-CG1 3.66Å; A421-I683 WeakPolarHBondContact O-CG1 3.3Å; V424-I683 HydrophobicContact CB-CB 4.4Å; V424-I683 HydrophobicContact CB-CG2 4.21Å; V424-I683 HydrophobicContact CG1-CB 4.12Å; V424-I683 HydrophobicContact CG1-CG2 3.73Å; A425-I683 HydrophobicContact CB-CD1 4.17Å; A425-I683 HydrophobicContact CB-CG1 4.38Å; A425-I683 HydrophobicContact CB-CG2 3.93Å; L428-I683 HydrophobicContact CD1-CG2 3.98Å; L493-I683 HydrophobicContact CD2-CD1 4.14Å; G679-I683 WeakPolarHBondContact O-CG1 3.43Å; G679-I683 PolarHBondContact O-N 3.17Å; V680-I683 PolarHBondContact O-N 3.44Å; K681-I683 PolarHBondContact O-N 3.4Å; I683-W685 VanDerWaalsContact C-N 3.27Å; I683-W685 PolarHBondContact O-N 3.43Å; I683-L686 HydrophobicContact CD1-CD1 4.19Å; I683-L686 PolarHBondContact O-N 3.23Å; I683-L686 VanDerWaalsContact O-N 3.15Å; I683-S687 WeakPolarHBondContact O-CB 3.43Å; I683-S687 PolarHBondContact O-N 2.97Å; I683-S687 PolarHBondContact O-OG 2.97Å
684	Q	95.2	Very high	94.8	Very high	81 Å²	81	32.6 Å²	32.6	38%	0.379	16%	0.157	S	C	.	.	H	α-helix	trans	-54.5	-47.4	176	-71.9	177	-49.1	0	0	111.1	V680 K681 S687 E688	V680-Q684 HydrophobicContact CG1-CG 4.4Å; V680-Q684 WeakPolarHBondContact O-CG 3.35Å; V680-Q684 PolarHBondContact O-N 2.89Å; K681-Q684 PolarHBondContact O-N 3.32Å; Q684-S687 PolarHBondContact O-N 2.8Å; Q684-E688 WeakPolarHBondContact O-CG 3.45Å; Q684-E688 PolarHBondContact O-N 2.88Å
685	W	96.8	Very high	94.3	Very high	21 Å²	21	40.1 Å²	40.1	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-44	176.3	178.6	86.3	0	0	0	113	C522 K681 I683 S687 E688 R689 E705 C708 F719	C522-W685 HydrophobicContact CB-CE3 4.14Å; C522-W685 HydrophobicContact CB-CZ3 3.85Å; K681-W685 WeakPolarHBondContact O-CB 3.31Å; K681-W685 PolarHBondContact O-N 3.33Å; I683-W685 VanDerWaalsContact C-N 3.27Å; I683-W685 PolarHBondContact O-N 3.43Å; W685-S687 VanDerWaalsContact C-N 3.31Å; W685-S687 PolarHBondContact O-N 3.23Å; W685-E688 PolarHBondContact O-N 3.41Å; W685-R689 HydrophobicContact CD2-CG 3.8Å; W685-R689 HydrophobicContact CE3-CG 4.1Å; W685-R689 HydrophobicContact CG-CG 4.41Å; W685-R689 HydrophobicContact CH2-CG 3.98Å; W685-R689 HydrophobicContact CZ2-CG 3.66Å; W685-R689 HydrophobicContact CZ3-CG 4.18Å; W685-R689 WeakPolarHBondContact O-CG 2.81Å; W685-R689 PolarHBondContact O-N 2.64Å; W685-E705 VanDerWaalsContact CZ2-O 3.23Å; W685-E705 WeakPolarHBondContact CZ2-O 3.31Å; W685-C708 HydrophobicContact CH2-CB 3.96Å; W685-C708 HydrophobicContact CZ2-CB 3.98Å; W685-F719 HydrophobicContact CB-CD1 4.31Å; W685-F719 HydrophobicContact CB-CD2 4.42Å; W685-F719 HydrophobicContact CB-CE1 3.51Å; W685-F719 HydrophobicContact CB-CE2 3.66Å; W685-F719 HydrophobicContact CB-CZ 3.14Å; W685-F719 AromaticContact CD1-CD1 3.89Å; W685-F719 AromaticContact CD1-CD2 3.54Å; W685-F719 AromaticContact CD1-CE1 3.94Å; W685-F719 AromaticContact CD1-CE2 3.61Å; W685-F719 AromaticContact CD1-CG 3.69Å; W685-F719 AromaticContact CD1-CZ 3.82Å; W685-F719 AromaticContact CD2-CD1 3.45Å; W685-F719 HydrophobicContact CD2-CD1 3.45Å; W685-F719 VanDerWaalsContact CD2-CD1 3.45Å; W685-F719 HydrophobicContact CD2-CD2 4.5Å; W685-F719 AromaticContact CD2-CE1 3.43Å; W685-F719 HydrophobicContact CD2-CE1 3.43Å; W685-F719 VanDerWaalsContact CD2-CE1 3.43Å; W685-F719 HydrophobicContact CD2-CE2 4.49Å; W685-F719 HydrophobicContact CD2-CG 4.02Å; W685-F719 HydrophobicContact CD2-CZ 4Å; W685-F719 AromaticContact CE2-CD1 3.59Å; W685-F719 AromaticContact CE2-CG 3.8Å; W685-F719 AromaticContact CE3-CD1 3.91Å; W685-F719 HydrophobicContact CE3-CD1 3.91Å; W685-F719 AromaticContact CE3-CE1 3.76Å; W685-F719 HydrophobicContact CE3-CE1 3.76Å; W685-F719 AromaticContact CG-CD1 3.64Å; W685-F719 HydrophobicContact CG-CD1 3.64Å; W685-F719 AromaticContact CG-CD2 3.92Å; W685-F719 HydrophobicContact CG-CD2 3.92Å; W685-F719 AromaticContact CG-CE1 3.33Å; W685-F719 HydrophobicContact CG-CE1 3.33Å; W685-F719 AromaticContact CG-CE2 3.65Å; W685-F719 HydrophobicContact CG-CE2 3.65Å; W685-F719 AromaticContact CG-CG 3.93Å; W685-F719 HydrophobicContact CG-CG 3.93Å; W685-F719 AromaticContact CG-CZ 3.35Å; W685-F719 HydrophobicContact CG-CZ 3.35Å; W685-F719 HydrophobicContact CZ2-CB 4.41Å; W685-F719 HydrophobicContact CZ2-CD1 4.12Å; W685-F719 HydrophobicContact CZ2-CG 4.44Å; W685-F719 HydrophobicContact CZ3-CD1 4.44Å; W685-F719 AromaticContact NE1-CD1 3.84Å; W685-F719 AromaticContact NE1-CD2 3.87Å; W685-F719 AromaticContact NE1-CG 3.6Å
686	L	97.1	Very high	93.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-42.5	176.7	-77.5	172.6	0	0	0	111.2	V402 A491 L493 P520 C522 A682 I683 R689 L690	V402-L686 HydrophobicContact CG1-CD1 4.36Å; A491-L686 HydrophobicContact CB-CD2 4.2Å; L493-L686 HydrophobicContact CB-CD1 4.1Å; P520-L686 HydrophobicContact CB-CD2 3.74Å; C522-L686 HydrophobicContact CB-CD1 4.17Å; C522-L686 HydrophobicContact CB-CD2 4.04Å; C522-L686 HydrophobicContact CB-CG 4.11Å; A682-L686 WeakPolarHBondContact O-CB 3.47Å; A682-L686 VanDerWaalsContact O-CG 3.27Å; A682-L686 WeakPolarHBondContact O-CG 3.36Å; A682-L686 PolarHBondContact O-N 3.24Å; I683-L686 HydrophobicContact CD1-CD1 4.19Å; I683-L686 PolarHBondContact O-N 3.23Å; I683-L686 VanDerWaalsContact O-N 3.15Å; L686-R689 PolarHBondContact O-N 3.2Å; L686-L690 VanDerWaalsContact O-CB 3.28Å; L686-L690 WeakPolarHBondContact O-CB 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.44Å; L686-L690 PolarHBondContact O-N 3.11Å
687	S	94.4	Very high	92.6	Very high	16 Å²	16	52.5 Å²	52.5	11%	0.112	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-40.2	177.1	-59.4	0	0	0	0	112.7	L428 H430 I683 Q684 W685 T691	L428-S687 VanDerWaalsContact CD1-OG 3.25Å; L428-S687 WeakPolarHBondContact CD1-OG 3.46Å; H430-S687 PolarHBondContact CD2-OG 3.25Å; H430-S687 PolarHBondContact NE2-OG 2.87Å; I683-S687 WeakPolarHBondContact O-CB 3.43Å; I683-S687 PolarHBondContact O-N 2.97Å; I683-S687 PolarHBondContact O-OG 2.97Å; Q684-S687 PolarHBondContact O-N 2.8Å; W685-S687 VanDerWaalsContact C-N 3.31Å; W685-S687 PolarHBondContact O-N 3.23Å; S687-T691 PolarHBondContact O-N 3.3Å; S687-T691 VanDerWaalsContact O-N 3.11Å; S687-T691 PolarHBondContact O-OG1 2.93Å
688	E	94.2	Very high	92.1	Very high	106 Å²	106	56.5 Å²	56.5	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-50.3	172.7	-72.1	169.1	-169	0	0	111.1	Q684 W685 L690 T691 E692	Q684-E688 WeakPolarHBondContact O-CG 3.45Å; Q684-E688 PolarHBondContact O-N 2.88Å; W685-E688 PolarHBondContact O-N 3.41Å; E688-L690 VanDerWaalsContact C-N 3.31Å; E688-L690 PolarHBondContact O-N 3.33Å; E688-T691 PolarHBondContact O-N 3.16Å; E688-T691 VanDerWaalsContact O-N 3.15Å; E688-E692 WeakPolarHBondContact O-CG 3.39Å; E688-E692 PolarHBondContact O-N 2.98Å
689	R	95.1	Very high	91.8	Very high	51 Å²	51	57.1 Å²	57.1	19%	0.192	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-38.1	178.5	-66.1	-59.1	110.6	-160	-11.3	112.3	P520 W685 L686 T691 E692 S693	P520-R689 HydrophobicContact CB-CB 3.9Å; P520-R689 HydrophobicContact CG-CB 3.83Å; W685-R689 HydrophobicContact CD2-CG 3.8Å; W685-R689 HydrophobicContact CE3-CG 4.1Å; W685-R689 HydrophobicContact CG-CG 4.41Å; W685-R689 HydrophobicContact CH2-CG 3.98Å; W685-R689 HydrophobicContact CZ2-CG 3.66Å; W685-R689 HydrophobicContact CZ3-CG 4.18Å; W685-R689 WeakPolarHBondContact O-CG 2.81Å; W685-R689 PolarHBondContact O-N 2.64Å; L686-R689 PolarHBondContact O-N 3.2Å; R689-T691 VanDerWaalsContact C-N 3.33Å; R689-E692 IonicContact CZ-OE1 3.38Å; R689-E692 IonicContact CZ-OE2 2.7Å; R689-E692 IonicContact NE-OE2 2.75Å; R689-E692 IonicContact NH1-OE1 2.76Å; R689-E692 IonicContact NH1-OE2 2.76Å; R689-E692 PolarHBondContact NH1-OE2 3.37Å; R689-E692 VanDerWaalsContact NH2-CD 3.26Å; R689-E692 IonicContact NH2-OE1 2.83Å; R689-E692 PolarHBondContact NH2-OE1 3.11Å; R689-E692 IonicContact NH2-OE2 2.78Å; R689-E692 PolarHBondContact NH2-OE2 3.13Å; R689-E692 VanDerWaalsContact NH2-OE2 3.08Å; R689-E692 PolarHBondContact O-N 2.83Å; R689-S693 WeakPolarHBondContact O-CB 3.29Å; R689-S693 PolarHBondContact O-N 3.46Å; R689-S693 PolarHBondContact O-OG 3.23Å
690	L	93.1	Very high	91.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-46.4	174.9	-81.5	167.4	0	0	0	110.7	H400 T490 A491 P520 L686 E688 S693 F694 V699	H400-L690 HydrophobicContact CB-CD1 4.01Å; T490-L690 VanDerWaalsContact O-CD2 3.22Å; T490-L690 WeakPolarHBondContact O-CD2 3.36Å; A491-L690 HydrophobicContact CB-CD1 4.06Å; A491-L690 HydrophobicContact CB-CD2 4.07Å; A491-L690 HydrophobicContact CB-CG 4.22Å; P520-L690 HydrophobicContact CG-CD2 4.38Å; P520-L690 HydrophobicContact CG-CG 4.43Å; L686-L690 VanDerWaalsContact O-CB 3.28Å; L686-L690 WeakPolarHBondContact O-CB 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.44Å; L686-L690 PolarHBondContact O-N 3.11Å; E688-L690 VanDerWaalsContact C-N 3.31Å; E688-L690 PolarHBondContact O-N 3.33Å; L690-S693 PolarHBondContact O-N 2.85Å; L690-F694 WeakPolarHBondContact O-CB 3.41Å; L690-F694 PolarHBondContact O-N 3.23Å; L690-F694 VanDerWaalsContact O-N 3.11Å; L690-V699 HydrophobicContact CD2-CG1 4.13Å; L690-V699 HydrophobicContact CD2-CG2 3.8Å
691	T	90.1	Very high	91.4	Very high	100 Å²	100	59.9 Å²	59.9	61%	0.613	29%	0.29	S	S	*	.	H	α-helix	trans	-65.8	-45.8	179.5	-54.1	0	0	0	0	111.5	S687 E688 R689 S693 F694	S687-T691 PolarHBondContact O-N 3.3Å; S687-T691 VanDerWaalsContact O-N 3.11Å; S687-T691 PolarHBondContact O-OG1 2.93Å; E688-T691 PolarHBondContact O-N 3.16Å; E688-T691 VanDerWaalsContact O-N 3.15Å; R689-T691 VanDerWaalsContact C-N 3.33Å; T691-S693 VanDerWaalsContact C-N 3.31Å; T691-S693 PolarHBondContact O-N 3.36Å; T691-F694 PolarHBondContact O-N 2.83Å
692	E	91.1	Very high	91.1	Very high	108 Å²	108	62.4 Å²	62.4	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-31.1	179.1	-70.5	178.8	-164	0	0	113.5	E688 R689	E688-E692 WeakPolarHBondContact O-CG 3.39Å; E688-E692 PolarHBondContact O-N 2.98Å; R689-E692 IonicContact CZ-OE1 3.38Å; R689-E692 IonicContact CZ-OE2 2.7Å; R689-E692 IonicContact NE-OE2 2.75Å; R689-E692 IonicContact NH1-OE1 2.76Å; R689-E692 IonicContact NH1-OE2 2.76Å; R689-E692 PolarHBondContact NH1-OE2 3.37Å; R689-E692 VanDerWaalsContact NH2-CD 3.26Å; R689-E692 IonicContact NH2-OE1 2.83Å; R689-E692 PolarHBondContact NH2-OE1 3.11Å; R689-E692 IonicContact NH2-OE2 2.78Å; R689-E692 PolarHBondContact NH2-OE2 3.13Å; R689-E692 VanDerWaalsContact NH2-OE2 3.08Å; R689-E692 PolarHBondContact O-N 2.83Å
693	S	90.1	Very high	90.9	Very high	13 Å²	13	64.8 Å²	64.8	9%	0.091	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	0.7	-177.3	-50.3	0	0	0	0	113.2	R689 L690 T691 R695 F700	R689-S693 WeakPolarHBondContact O-CB 3.29Å; R689-S693 PolarHBondContact O-N 3.46Å; R689-S693 PolarHBondContact O-OG 3.23Å; L690-S693 PolarHBondContact O-N 2.85Å; T691-S693 VanDerWaalsContact C-N 3.31Å; T691-S693 PolarHBondContact O-N 3.36Å; S693-R695 PolarHBondContact O-N 2.99Å; S693-F700 PolarHBondContact O-N 3.47Å
694	F	88.6	Confident	90.7	Very high	85 Å²	85	66.8 Å²	66.8	37%	0.373	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113.3	179.2	-166.2	-103.1	0	0	0	110.7	H400 L690 T691 V699	H400-F694 AromaticContact CE1-CD2 3.73Å; L690-F694 WeakPolarHBondContact O-CB 3.41Å; L690-F694 PolarHBondContact O-N 3.23Å; L690-F694 VanDerWaalsContact O-N 3.11Å; T691-F694 PolarHBondContact O-N 2.83Å; F694-V699 HydrophobicContact CD2-CG2 3.91Å
695	R	83.7	Confident	90.7	Very high	171 Å²	171	67.6 Å²	67.6	65%	0.645	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	136.4	-178.1	-61.2	-176.5	-175.9	-180	2.3	110.3	S693 G697 R698	S693-R695 PolarHBondContact O-N 2.99Å; R695-G697 PolarHBondContact O-N 3Å; R695-G697 VanDerWaalsContact O-N 3.11Å; R695-R698 PolarHBondContact N-O 2.73Å; R695-R698 PolarHBondContact O-N 3.11Å
696	Q	79	Confident	90.7	Very high	198 Å²	198	67 Å²	67	93%	0.925	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	35.6	175.6	-60	178	-15	0	0	113.9	R698	Q696-R698 VanDerWaalsContact C-N 3.33Å; Q696-R698 PolarHBondContact O-N 3.27Å
697	G	78.8	Confident	90.7	Very high	62 Å²	62	66.9 Å²	66.9	64%	0.639	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	3.8	178.5	0	0	0	0	0	115.6	R695	R695-G697 PolarHBondContact O-N 3Å; R695-G697 VanDerWaalsContact O-N 3.11Å
698	R	86.1	Confident	90.9	Very high	127 Å²	127	66.3 Å²	66.3	48%	0.479	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.7	172.7	69.7	177.2	-175.4	160.3	4.5	112.2	D515 R695 Q696	D515-R698 IonicContact OD2-CZ 3.67Å; D515-R698 IonicContact OD2-NH1 3.03Å; D515-R698 PolarHBondContact OD2-NH1 2.88Å; D515-R698 IonicContact OD2-NH2 3.32Å; D515-R698 PolarHBondContact OD2-NH2 3.47Å; R695-R698 PolarHBondContact N-O 2.73Å; R695-R698 PolarHBondContact O-N 3.11Å; Q696-R698 VanDerWaalsContact C-N 3.33Å; Q696-R698 PolarHBondContact O-N 3.27Å
699	V	89.5	Confident	91	Very high	17 Å²	17	61.2 Å²	61.2	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.1	168.1	176.1	0	0	0	0	108	T490 P520 L690 F694	T490-V699 HydrophobicContact CG2-CG2 4.25Å; P520-V699 HydrophobicContact CG-CG1 4.42Å; L690-V699 HydrophobicContact CD2-CG1 4.13Å; L690-V699 HydrophobicContact CD2-CG2 3.8Å; F694-V699 HydrophobicContact CD2-CG2 3.91Å
700	F	92.3	Very high	91.2	Very high	55 Å²	55	58.8 Å²	58.8	24%	0.241	30%	0.3	C	S	.	.			trans	-138.9	92.3	175.3	-167.5	-98.3	0	0	0	110.5	C518 S693 N702	C518-F700 HydrophobicContact CB-CD2 3.68Å; C518-F700 HydrophobicContact CB-CE2 3.73Å; C518-F700 HydrophobicContact CB-CG 4.3Å; C518-F700 HydrophobicContact CB-CZ 4.38Å; C518-F700 CarbonylContact O-C 3.36Å; C518-F700 WeakPolarHBondContact O-CA 3.34Å; S693-F700 PolarHBondContact O-N 3.47Å; F700-N702 HydrophobicContact CE1-CB 4.01Å; F700-N702 HydrophobicContact CZ-CB 4.42Å
701	A	92	Very high	91	Very high	2 Å²	2	58.8 Å²	58.8	2%	0.017	30%	0.3	C	S	.	.			trans	-110.1	90.4	-175.9	0	0	0	0	0	110.1	R511 C518 P520 T706	R511-A701 PolarHBondContact NE-O 3.26Å; R511-A701 PolarHBondContact NH1-O 3.01Å; R511-A701 VanDerWaalsContact NH1-O 3.09Å; R511-A701 PolarHBondContact NH2-O 3.07Å; C518-A701 CarbonylContact C-O 3.59Å; C518-A701 WeakPolarHBondContact CA-O 3.49Å; C518-A701 PolarHBondContact O-N 3.18Å; P520-A701 HydrophobicContact CG-CB 3.94Å; A701-T706 HydrophobicContact CB-CG2 3.84Å; A701-T706 PolarHBondContact O-OG1 3.44Å
702	N	90.9	Very high	91	Very high	97 Å²	97	55.2 Å²	55.2	52%	0.519	28%	0.277	S	S	.	.			trans	-103.9	-7.8	-178.9	68.2	-13.3	0	0	0	113.9	F700	F700-N702 HydrophobicContact CE1-CB 4.01Å; F700-N702 HydrophobicContact CZ-CB 4.42Å
703	S	93.3	Very high	90.7	Very high	49 Å²	49	52.5 Å²	52.5	34%	0.343	27%	0.266	S	S	.	.	S	Bend	trans	-73.7	148.7	-178.4	-147	0	0	0	0	112.5	R511 E705 T706	R511-S703 PolarHBondContact NH1-O 3.41Å; S703-E705 VanDerWaalsContact CB-OE2 3.28Å; S703-E705 WeakPolarHBondContact CB-OE2 3.25Å; S703-E705 PolarHBondContact O-N 3.33Å; S703-E705 PolarHBondContact OG-OE2 3.44Å; S703-T706 PolarHBondContact O-N 2.95Å; S703-T706 VanDerWaalsContact O-N 3.1Å; S703-T706 PolarHBondContact O-OG1 2.79Å
704	P	93.6	Very high	90.2	Very high	42 Å²	42	59.9 Å²	59.9	27%	0.273	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-52.1	-36.4	173.5	-26.1	32.9	0	0	0	114	Y508 T706 A707 P721	Y508-P704 WeakPolarHBondContact OH-CA 3.42Å; Y508-P704 WeakPolarHBondContact OH-CG 3.33Å; P704-T706 PolarHBondContact O-N 3.4Å; P704-A707 PolarHBondContact O-N 3.01Å; P704-P721 HydrophobicContact CB-CB 4.28Å
705	E	94.8	Very high	89.7	Confident	99 Å²	99	59 Å²	59	46%	0.463	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-70.3	1.9	-177.7	-57.3	71.7	-155.1	0	0	113.3	W685 S703	W685-E705 VanDerWaalsContact CZ2-O 3.23Å; W685-E705 WeakPolarHBondContact CZ2-O 3.31Å; S703-E705 VanDerWaalsContact CB-OE2 3.28Å; S703-E705 WeakPolarHBondContact CB-OE2 3.25Å; S703-E705 PolarHBondContact O-N 3.33Å; S703-E705 PolarHBondContact OG-OE2 3.44Å
706	T	96.1	Very high	89.6	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.043	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-106.9	-0.8	177.5	66.4	0	0	0	0	112.8	R511 P520 M521 A701 S703 P704	R511-T706 PolarHBondContact NH1-OG1 2.94Å; R511-T706 PolarHBondContact NH2-OG1 3.33Å; R511-T706 VanDerWaalsContact NH2-OG1 3.11Å; P520-T706 CarbonylContact C-O 3.54Å; P520-T706 VanDerWaalsContact CA-O 3.29Å; P520-T706 WeakPolarHBondContact CA-O 3.39Å; M521-T706 PolarHBondContact N-O 3.07Å; A701-T706 HydrophobicContact CB-CG2 3.84Å; A701-T706 PolarHBondContact O-OG1 3.44Å; S703-T706 PolarHBondContact O-N 2.95Å; S703-T706 VanDerWaalsContact O-N 3.1Å; S703-T706 PolarHBondContact O-OG1 2.79Å; P704-T706 PolarHBondContact O-N 3.4Å
707	A	97.8	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	94.2	173.6	0	0	0	0	0	109.6	V504 Y508 M521 P704 P721 V722	V504-A707 HydrophobicContact CG1-CB 4.41Å; Y508-A707 HydrophobicContact CD2-CB 3.48Å; Y508-A707 VanDerWaalsContact CD2-CB 3.48Å; Y508-A707 HydrophobicContact CE2-CB 4.25Å; Y508-A707 HydrophobicContact CG-CB 4.2Å; M521-A707 HydrophobicContact CB-CB 4.34Å; M521-A707 HydrophobicContact CE-CB 4.25Å; M521-A707 VanDerWaalsContact O-CA 3.28Å; M521-A707 WeakPolarHBondContact O-CA 3.31Å; P704-A707 PolarHBondContact O-N 3.01Å; A707-P721 WeakPolarHBondContact O-CA 3.43Å; A707-V722 HydrophobicContact CB-CG2 4.11Å; A707-V722 PolarHBondContact O-N 3.22Å
708	C	98.1	Very high	90.7	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.02	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.6	-167	-67	0	0	0	0	113.1	M521 C522 V523 W685 F719 I720	M521-C708 PolarHBondContact O-N 3.43Å; C522-C708 CarbonylContact C-O 3.51Å; C522-C708 WeakPolarHBondContact CA-O 3.45Å; V523-C708 PolarHBondContact N-O 3.42Å; W685-C708 HydrophobicContact CH2-CB 3.96Å; W685-C708 HydrophobicContact CZ2-CB 3.98Å; C708-F719 HydrophobicContact CB-CB 3.85Å; C708-F719 HydrophobicContact CB-CD1 4.27Å; C708-I720 CarbonylContact C-O 3.58Å; C708-I720 VanDerWaalsContact CA-O 3.26Å; C708-I720 WeakPolarHBondContact CA-O 3.34Å
709	V	98.1	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.2	160.7	-180	0	0	0	0	108.4	Y501 V523 P525 G711 I720 V722 L725	Y501-V709 HydrophobicContact CD2-CG2 3.62Å; Y501-V709 HydrophobicContact CE2-CG2 4.24Å; V523-V709 HydrophobicContact CB-CG2 4.13Å; P525-V709 HydrophobicContact CG-CG1 3.44Å; P525-V709 VanDerWaalsContact CG-CG1 3.44Å; V709-G711 PolarHBondContact O-N 2.94Å; V709-I720 PolarHBondContact N-O 2.9Å; V709-I720 PolarHBondContact O-N 3.15Å; V709-V722 HydrophobicContact CG2-CG1 4.14Å; V709-L725 HydrophobicContact CB-CD1 3.68Å; V709-L725 HydrophobicContact CG1-CD1 4.47Å; V709-L725 HydrophobicContact CG2-CD1 3.44Å; V709-L725 VanDerWaalsContact CG2-CD1 3.44Å
710	L	97.4	Very high	91.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	96.9	172	-179.8	56.7	0	0	0	109.3	V523 I524 P525 L678 K681 A682 V717 F719	V523-L710 PolarHBondContact O-N 3.08Å; I524-L710 HydrophobicContact CG1-CD2 4.34Å; P525-L710 WeakPolarHBondContact CD-O 3.5Å; L678-L710 HydrophobicContact CB-CD2 4.2Å; L678-L710 HydrophobicContact CD2-CD2 4Å; L678-L710 HydrophobicContact CD2-CG 4.07Å; L678-L710 WeakPolarHBondContact O-CD2 3.42Å; K681-L710 HydrophobicContact CB-CD2 4.2Å; A682-L710 HydrophobicContact CB-CD2 3.86Å; L710-V717 HydrophobicContact CD1-CG1 3.25Å; L710-V717 HydrophobicContact CG-CG1 4.03Å; L710-F719 HydrophobicContact CB-CD1 4.29Å; L710-F719 HydrophobicContact CB-CE1 4.06Å; L710-F719 HydrophobicContact CD1-CD1 3.92Å; L710-F719 HydrophobicContact CD1-CD2 4.04Å; L710-F719 HydrophobicContact CD1-CE1 3.54Å; L710-F719 HydrophobicContact CD1-CE2 3.66Å; L710-F719 HydrophobicContact CD1-CG 4.15Å; L710-F719 HydrophobicContact CD1-CZ 3.37Å; L710-F719 HydrophobicContact CD2-CE1 4.18Å; L710-F719 HydrophobicContact CD2-CZ 4.15Å; L710-F719 HydrophobicContact CG-CE1 4.13Å; L710-F719 HydrophobicContact CG-CZ 4.26Å
711	G	90	Very high	91.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.6	-176.8	0	0	0	0	0	113.3	G534 T535 V709 V717 S718	G534-G711 WeakPolarHBondContact O-CA 3.49Å; T535-G711 WeakPolarHBondContact OG1-CA 3.34Å; V709-G711 PolarHBondContact O-N 2.94Å; G711-V717 CarbonylContact O-C 3.46Å; G711-V717 WeakPolarHBondContact O-CA 3.28Å; G711-S718 PolarHBondContact N-O 3.47Å; G711-S718 PolarHBondContact O-N 3.41Å
712	L	89.5	Confident	91.9	Very high	25 Å²	25	40.1 Å²	40.1	13%	0.131	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.7	163.6	178.8	66.1	0	0	0	108.8	T535 D536 F537 F674 V717	T535-L712 PolarHBondContact OG1-N 2.91Å; T535-L712 PolarHBondContact OG1-O 3.12Å; D536-L712 WeakPolarHBondContact CB-O 3.37Å; D536-L712 PolarHBondContact N-O 3.44Å; F537-L712 HydrophobicContact CD2-CD2 4.09Å; F674-L712 HydrophobicContact CE2-CB 4.13Å; F674-L712 HydrophobicContact CE2-CD2 4Å; F674-L712 HydrophobicContact CZ-CB 3.85Å; F674-L712 HydrophobicContact CZ-CD2 4.08Å; L712-V717 HydrophobicContact CD1-CG2 3.82Å
713	N	84.9	Confident	92.1	Very high	51 Å²	51	37.8 Å²	37.8	27%	0.273	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.5	173.4	-66	-56	0	0	0	108.6	G534 K715 V716 S718 I720	G534-N713 PolarHBondContact O-ND2 2.86Å; G534-N713 PolarHBondContact O-OD1 2.9Å; N713-K715 PolarHBondContact O-N 2.74Å; N713-V716 PolarHBondContact N-O 2.93Å; N713-V716 PolarHBondContact O-N 3.3Å; N713-S718 PolarHBondContact ND2-OG 2.63Å; N713-I720 WeakPolarHBondContact ND2-CD1 3.42Å
714	R	80.1	Confident	92.2	Very high	167 Å²	167	39.7 Å²	39.7	63%	0.63	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	-97.7	-167.1	-59.6	179.2	175	-173.6	-3.8	111.8	G340 D536	G340-R714 WeakPolarHBondContact CA-O 3.33Å; D536-R714 PolarHBondContact OD2-N 3.27Å
715	K	77.4	Confident	92.3	Very high	67 Å²	67	38 Å²	38	29%	0.291	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-18.5	180	-69.7	-176	154.6	-167.3	0	113.4	D173 C339 N713 D777	D173-K715 WeakPolarHBondContact OD1-CE 3.3Å; D173-K715 IonicContact OD1-NZ 2.85Å; D173-K715 PolarHBondContact OD1-NZ 3.11Å; D173-K715 WeakPolarHBondContact OD2-CE 3.15Å; D173-K715 IonicContact OD2-NZ 2.67Å; C339-K715 WeakPolarHBondContact SG-CE 3.29Å; N713-K715 PolarHBondContact O-N 2.74Å; K715-D777 IonicContact NZ-OD2 3.33Å
716	V	82.6	Confident	92.2	Very high	70 Å²	70	37.8 Å²	37.8	42%	0.424	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.1	-167.9	-176.5	0	0	0	0	109.3	N713	N713-V716 PolarHBondContact N-O 2.93Å; N713-V716 PolarHBondContact O-N 3.3Å
717	V	88.2	Confident	92.1	Very high	24 Å²	24	41.1 Å²	41.1	15%	0.145	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.3	169.8	177.8	0	0	0	0	107.5	L678 K681 L710 G711 L712	L678-V717 HydrophobicContact CD2-CG1 4.26Å; K681-V717 HydrophobicContact CD-CB 4.13Å; K681-V717 HydrophobicContact CD-CG1 3.89Å; L710-V717 HydrophobicContact CD1-CG1 3.25Å; L710-V717 HydrophobicContact CG-CG1 4.03Å; G711-V717 CarbonylContact O-C 3.46Å; G711-V717 WeakPolarHBondContact O-CA 3.28Å; L712-V717 HydrophobicContact CD1-CG2 3.82Å
718	S	91.8	Very high	91.8	Very high	33 Å²	33	43.5 Å²	43.5	23%	0.231	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148	-174	57.2	0	0	0	0	111.7	G711 N713	G711-S718 PolarHBondContact N-O 3.47Å; G711-S718 PolarHBondContact O-N 3.41Å; N713-S718 PolarHBondContact ND2-OG 2.63Å
719	F	96.2	Very high	91.7	Very high	54 Å²	54	43.6 Å²	43.6	24%	0.237	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.3	171.1	-66.4	-93.5	0	0	0	108.9	W685 C708 L710	W685-F719 HydrophobicContact CB-CD1 4.31Å; W685-F719 HydrophobicContact CB-CD2 4.42Å; W685-F719 HydrophobicContact CB-CE1 3.51Å; W685-F719 HydrophobicContact CB-CE2 3.66Å; W685-F719 HydrophobicContact CB-CZ 3.14Å; W685-F719 AromaticContact CD1-CD1 3.89Å; W685-F719 AromaticContact CD1-CD2 3.54Å; W685-F719 AromaticContact CD1-CE1 3.94Å; W685-F719 AromaticContact CD1-CE2 3.61Å; W685-F719 AromaticContact CD1-CG 3.69Å; W685-F719 AromaticContact CD1-CZ 3.82Å; W685-F719 AromaticContact CD2-CD1 3.45Å; W685-F719 HydrophobicContact CD2-CD1 3.45Å; W685-F719 VanDerWaalsContact CD2-CD1 3.45Å; W685-F719 HydrophobicContact CD2-CD2 4.5Å; W685-F719 AromaticContact CD2-CE1 3.43Å; W685-F719 HydrophobicContact CD2-CE1 3.43Å; W685-F719 VanDerWaalsContact CD2-CE1 3.43Å; W685-F719 HydrophobicContact CD2-CE2 4.49Å; W685-F719 HydrophobicContact CD2-CG 4.02Å; W685-F719 HydrophobicContact CD2-CZ 4Å; W685-F719 AromaticContact CE2-CD1 3.59Å; W685-F719 AromaticContact CE2-CG 3.8Å; W685-F719 AromaticContact CE3-CD1 3.91Å; W685-F719 HydrophobicContact CE3-CD1 3.91Å; W685-F719 AromaticContact CE3-CE1 3.76Å; W685-F719 HydrophobicContact CE3-CE1 3.76Å; W685-F719 AromaticContact CG-CD1 3.64Å; W685-F719 HydrophobicContact CG-CD1 3.64Å; W685-F719 AromaticContact CG-CD2 3.92Å; W685-F719 HydrophobicContact CG-CD2 3.92Å; W685-F719 AromaticContact CG-CE1 3.33Å; W685-F719 HydrophobicContact CG-CE1 3.33Å; W685-F719 AromaticContact CG-CE2 3.65Å; W685-F719 HydrophobicContact CG-CE2 3.65Å; W685-F719 AromaticContact CG-CG 3.93Å; W685-F719 HydrophobicContact CG-CG 3.93Å; W685-F719 AromaticContact CG-CZ 3.35Å; W685-F719 HydrophobicContact CG-CZ 3.35Å; W685-F719 HydrophobicContact CZ2-CB 4.41Å; W685-F719 HydrophobicContact CZ2-CD1 4.12Å; W685-F719 HydrophobicContact CZ2-CG 4.44Å; W685-F719 HydrophobicContact CZ3-CD1 4.44Å; W685-F719 AromaticContact NE1-CD1 3.84Å; W685-F719 AromaticContact NE1-CD2 3.87Å; W685-F719 AromaticContact NE1-CG 3.6Å; C708-F719 HydrophobicContact CB-CB 3.85Å; C708-F719 HydrophobicContact CB-CD1 4.27Å; L710-F719 HydrophobicContact CB-CD1 4.29Å; L710-F719 HydrophobicContact CB-CE1 4.06Å; L710-F719 HydrophobicContact CD1-CD1 3.92Å; L710-F719 HydrophobicContact CD1-CD2 4.04Å; L710-F719 HydrophobicContact CD1-CE1 3.54Å; L710-F719 HydrophobicContact CD1-CE2 3.66Å; L710-F719 HydrophobicContact CD1-CG 4.15Å; L710-F719 HydrophobicContact CD1-CZ 3.37Å; L710-F719 HydrophobicContact CD2-CE1 4.18Å; L710-F719 HydrophobicContact CD2-CZ 4.15Å; L710-F719 HydrophobicContact CG-CE1 4.13Å; L710-F719 HydrophobicContact CG-CZ 4.26Å
720	I	96.1	Very high	91.6	Very high	35 Å²	35	45.8 Å²	45.8	18%	0.179	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.1	-178.2	-52.6	177.3	0	0	0	109	C708 V709 N713 V722 V724 L725	C708-I720 CarbonylContact C-O 3.58Å; C708-I720 VanDerWaalsContact CA-O 3.26Å; C708-I720 WeakPolarHBondContact CA-O 3.34Å; V709-I720 PolarHBondContact N-O 2.9Å; V709-I720 PolarHBondContact O-N 3.15Å; N713-I720 WeakPolarHBondContact ND2-CD1 3.42Å; I720-V722 PolarHBondContact O-N 2.8Å; I720-V724 HydrophobicContact CG2-CB 4.32Å; I720-V724 HydrophobicContact CG2-CG1 4.25Å; I720-L725 HydrophobicContact CB-CD1 4.3Å; I720-L725 HydrophobicContact CB-CD2 4.37Å; I720-L725 HydrophobicContact CB-CG 4.32Å; I720-L725 HydrophobicContact CD1-CD2 4.5Å; I720-L725 HydrophobicContact CG2-CD1 4.26Å; I720-L725 HydrophobicContact CG2-CD2 3.74Å; I720-L725 HydrophobicContact CG2-CG 3.74Å
721	P	97.4	Very high	91.5	Very high	20 Å²	20	49.1 Å²	49.1	13%	0.13	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	137.3	178.1	-27.9	35.6	0	0	0	112.8	P704 A707 T723 V724 L725	P704-P721 HydrophobicContact CB-CB 4.28Å; A707-P721 WeakPolarHBondContact O-CA 3.43Å; P721-T723 PolarHBondContact O-N 3.41Å; P721-T723 VanDerWaalsContact O-N 3.17Å; P721-V724 HydrophobicContact CB-CB 4.41Å; P721-V724 HydrophobicContact CB-CG2 4.01Å; P721-V724 HydrophobicContact CG-CG2 4.2Å; P721-V724 PolarHBondContact O-N 2.98Å; P721-L725 PolarHBondContact O-N 2.72Å
722	V	96.4	Very high	91.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-29.2	178.4	-65.5	0	0	0	0	112.5	Y501 V504 Q505 Y508 A707 V709 I720 L725 K726	Y501-V722 HydrophobicContact CD2-CG1 4.17Å; Y501-V722 HydrophobicContact CE2-CB 4.08Å; Y501-V722 HydrophobicContact CE2-CG1 4.15Å; Y501-V722 PolarHBondContact OH-O 3.12Å; V504-V722 HydrophobicContact CG1-CG1 4.1Å; Q505-V722 HydrophobicContact CB-CB 4.37Å; Q505-V722 HydrophobicContact CB-CG2 4.42Å; Y508-V722 HydrophobicContact CG-CG2 4.27Å; A707-V722 HydrophobicContact CB-CG2 4.11Å; A707-V722 PolarHBondContact O-N 3.22Å; V709-V722 HydrophobicContact CG2-CG1 4.14Å; I720-V722 PolarHBondContact O-N 2.8Å; V722-L725 PolarHBondContact O-N 2.86Å; V722-K726 PolarHBondContact O-N 2.96Å; V722-K726 VanDerWaalsContact O-N 3.13Å
723	T	94.7	Very high	92	Very high	48 Å²	48	57.4 Å²	57.4	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-67.4	-37.5	176	51.5	0	0	0	0	112.9	Y508 P721 K726	Y508-T723 HydrophobicContact CD1-CG2 3.65Å; Y508-T723 HydrophobicContact CE1-CG2 3.2Å; P721-T723 PolarHBondContact O-N 3.41Å; P721-T723 VanDerWaalsContact O-N 3.17Å; T723-K726 WeakPolarHBondContact O-CB 3.23Å
724	V	95.4	Very high	92.6	Very high	89 Å²	89	58.6 Å²	58.6	54%	0.539	30%	0.301	S	S	.	.	H	α-helix	trans	-69.3	-43.4	176.2	173.3	0	0	0	0	109.7	I720 P721 K726 A727	I720-V724 HydrophobicContact CG2-CB 4.32Å; I720-V724 HydrophobicContact CG2-CG1 4.25Å; P721-V724 HydrophobicContact CB-CB 4.41Å; P721-V724 HydrophobicContact CB-CG2 4.01Å; P721-V724 HydrophobicContact CG-CG2 4.2Å; P721-V724 PolarHBondContact O-N 2.98Å; V724-K726 VanDerWaalsContact C-N 3.25Å; V724-K726 PolarHBondContact O-N 3.03Å; V724-A727 PolarHBondContact O-N 3.05Å
725	L	95.2	Very high	93.2	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-28.7	179.6	-66.6	175.7	0	0	0	113	Y501 P533 G534 V709 I720 P721 V722 A727 S728 T729	Y501-L725 HydrophobicContact CE2-CB 3.9Å; Y501-L725 HydrophobicContact CE2-CD1 4.14Å; P533-L725 HydrophobicContact CB-CB 4.31Å; P533-L725 HydrophobicContact CB-CD2 4.26Å; G534-L725 VanDerWaalsContact CA-CD2 3.47Å; V709-L725 HydrophobicContact CB-CD1 3.68Å; V709-L725 HydrophobicContact CG1-CD1 4.47Å; V709-L725 HydrophobicContact CG2-CD1 3.44Å; V709-L725 VanDerWaalsContact CG2-CD1 3.44Å; I720-L725 HydrophobicContact CB-CD1 4.3Å; I720-L725 HydrophobicContact CB-CD2 4.37Å; I720-L725 HydrophobicContact CB-CG 4.32Å; I720-L725 HydrophobicContact CD1-CD2 4.5Å; I720-L725 HydrophobicContact CG2-CD1 4.26Å; I720-L725 HydrophobicContact CG2-CD2 3.74Å; I720-L725 HydrophobicContact CG2-CG 3.74Å; P721-L725 PolarHBondContact O-N 2.72Å; V722-L725 PolarHBondContact O-N 2.86Å; L725-A727 PolarHBondContact O-N 3.38Å; L725-S728 CarbonylContact O-C 3.56Å; L725-S728 PolarHBondContact O-N 2.84Å; L725-S728 PolarHBondContact O-OG 3.33Å; L725-S728 VanDerWaalsContact O-OG 3.07Å; L725-T729 PolarHBondContact O-N 3.45Å; L725-T729 VanDerWaalsContact O-N 3.11Å; L725-T729 PolarHBondContact O-OG1 2.87Å
726	K	93.9	Very high	94	Very high	94 Å²	94	48.8 Å²	48.8	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-50.4	-36.3	178.4	-169.9	177.8	-174.6	167.6	0	112.9	Y501 Q505 E509 V722 T723 V724 F731	Y501-K726 WeakPolarHBondContact OH-CA 3.29Å; Y501-K726 PolarHBondContact OH-N 3.29Å; Q505-K726 VanDerWaalsContact NE2-CE 3.31Å; E509-K726 IonicContact OE1-NZ 3Å; E509-K726 PolarHBondContact OE1-NZ 3.46Å; V722-K726 PolarHBondContact O-N 2.96Å; V722-K726 VanDerWaalsContact O-N 3.13Å; T723-K726 WeakPolarHBondContact O-CB 3.23Å; V724-K726 VanDerWaalsContact C-N 3.25Å; V724-K726 PolarHBondContact O-N 3.03Å; K726-F731 HydrophobicContact CG-CE2 3.86Å; K726-F731 HydrophobicContact CG-CZ 4Å
727	A	92.7	Very high	94.4	Very high	76 Å²	76	51.8 Å²	51.8	63%	0.628	27%	0.272	S	S	*	.	H	α-helix	trans	-70.8	-32.7	179.6	0	0	0	0	0	113.5	V724 L725 K737	V724-A727 PolarHBondContact O-N 3.05Å; L725-A727 PolarHBondContact O-N 3.38Å; A727-K737 PolarHBondContact O-NZ 3.4Å
728	S	91.7	Very high	94.2	Very high	51 Å²	51	56.7 Å²	56.7	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-94.7	4.2	-179.8	59	0	0	0	0	113.8	L725 K737	L725-S728 CarbonylContact O-C 3.56Å; L725-S728 PolarHBondContact O-N 2.84Å; L725-S728 PolarHBondContact O-OG 3.33Å; L725-S728 VanDerWaalsContact O-OG 3.07Å; S728-K737 WeakPolarHBondContact O-CG 3.17Å; S728-K737 PolarHBondContact O-N 3.28Å
729	T	96.3	Very high	94	Very high	5 Å²	5	56 Å²	56	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136	178.1	-56.9	0	0	0	0	112.1	F498 Y501 P533 L725 F731 K737	F498-T729 HydrophobicContact CE2-CG2 3.62Å; F498-T729 HydrophobicContact CZ-CG2 3.49Å; F498-T729 VanDerWaalsContact CZ-CG2 3.49Å; Y501-T729 HydrophobicContact CE1-CG2 4Å; Y501-T729 PolarHBondContact OH-OG1 3.32Å; Y501-T729 VanDerWaalsContact OH-OG1 3.11Å; P533-T729 HydrophobicContact CG-CG2 4Å; P533-T729 VanDerWaalsContact CG-OG1 3.24Å; P533-T729 WeakPolarHBondContact CG-OG1 3.39Å; L725-T729 PolarHBondContact O-N 3.45Å; L725-T729 VanDerWaalsContact O-N 3.11Å; L725-T729 PolarHBondContact O-OG1 2.87Å; T729-F731 HydrophobicContact CG2-CD1 4.03Å; T729-F731 HydrophobicContact CG2-CD2 3.79Å; T729-F731 HydrophobicContact CG2-CE1 3.9Å; T729-F731 HydrophobicContact CG2-CE2 3.66Å; T729-F731 HydrophobicContact CG2-CG 3.97Å; T729-F731 HydrophobicContact CG2-CZ 3.7Å; T729-K737 WeakPolarHBondContact O-CE 3.4Å
730	D	96.1	Very high	93.6	Very high	45 Å²	45	55.3 Å²	55.3	24%	0.241	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	106.7	158.9	-176.3	-22.1	0	0	0	108.6	E732 H733 R734 M735 K737	D730-E732 WeakPolarHBondContact OD1-CB 3.26Å; D730-E732 PolarHBondContact OD1-N 2.92Å; D730-H733 IonicContact OD1-CG 3.77Å; D730-H733 PolarHBondContact OD1-N 3.49Å; D730-H733 IonicContact OD1-ND1 3.47Å; D730-H733 PolarHBondContact OD1-ND1 3.44Å; D730-H733 IonicContact OD2-CE1 3.45Å; D730-H733 IonicContact OD2-CG 2.69Å; D730-H733 IonicContact OD2-ND1 3.52Å; D730-H733 PolarHBondContact OD2-ND1 3.23Å; D730-R734 CarbonylContact O-C 3.57Å; D730-R734 WeakPolarHBondContact O-CA 3.27Å; D730-R734 PolarHBondContact O-N 3.22Å; D730-M735 HydrophobicContact CB-CG 4.32Å; D730-M735 WeakPolarHBondContact CB-O 3.29Å; D730-M735 PolarHBondContact N-O 2.87Å; D730-M735 PolarHBondContact O-N 3.35Å; D730-K737 HydrophobicContact CB-CG 4.48Å
731	F	95	Very high	93.3	Very high	70 Å²	70	53.7 Å²	53.7	31%	0.307	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-23.8	-179.3	-71.6	-85.7	0	0	0	113.2	F498 Y501 E502 K726 T729	F498-F731 HydrophobicContact CE1-CD1 4.02Å; F498-F731 AromaticContact CZ-CD1 3.84Å; F498-F731 HydrophobicContact CZ-CD1 3.84Å; F498-F731 HydrophobicContact CZ-CE1 4.24Å; F498-F731 HydrophobicContact CZ-CG 4.45Å; Y501-F731 HydrophobicContact CE1-CE1 4.05Å; Y501-F731 HydrophobicContact CE1-CZ 4.18Å; E502-F731 HydrophobicContact CG-CE1 4.46Å; K726-F731 HydrophobicContact CG-CE2 3.86Å; K726-F731 HydrophobicContact CG-CZ 4Å; T729-F731 HydrophobicContact CG2-CD1 4.03Å; T729-F731 HydrophobicContact CG2-CD2 3.79Å; T729-F731 HydrophobicContact CG2-CE1 3.9Å; T729-F731 HydrophobicContact CG2-CE2 3.66Å; T729-F731 HydrophobicContact CG2-CG 3.97Å; T729-F731 HydrophobicContact CG2-CZ 3.7Å
732	E	95.2	Very high	92.9	Very high	161 Å²	161	56.1 Å²	56.1	75%	0.752	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-48.6	178.8	-177.1	178.3	-175.3	0	0	109.9	D730	D730-E732 WeakPolarHBondContact OD1-CB 3.26Å; D730-E732 PolarHBondContact OD1-N 2.92Å
733	H	95.5	Very high	92.3	Very high	38 Å²	38	59.8 Å²	59.8	18%	0.176	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.9	-180	-55.2	98.4	0	0	0	113.2	Y575 F595 D730 M735	Y575-H733 AromaticContact CD1-CD2 3.88Å; Y575-H733 HydrophobicContact CD2-CB 3.97Å; Y575-H733 WeakPolarHBondContact CD2-O 3.47Å; Y575-H733 AromaticContact CE1-CD2 3.9Å; Y575-H733 HydrophobicContact CG-CB 3.96Å; Y575-H733 AromaticContact CG-CD2 3.96Å; F595-H733 HydrophobicContact CE1-CB 4.33Å; F595-H733 AromaticContact CE1-CD2 3.8Å; F595-H733 AromaticContact CE1-CG 3.86Å; F595-H733 AromaticContact CZ-CD2 3.43Å; F595-H733 VanDerWaalsContact CZ-CD2 3.43Å; F595-H733 WeakPolarHBondContact CZ-CD2 3.49Å; F595-H733 AromaticContact CZ-CG 3.92Å; F595-H733 AromaticContact CZ-NE2 3.5Å; F595-H733 WeakPolarHBondContact CZ-NE2 3.48Å; D730-H733 IonicContact OD1-CG 3.77Å; D730-H733 PolarHBondContact OD1-N 3.49Å; D730-H733 IonicContact OD1-ND1 3.47Å; D730-H733 PolarHBondContact OD1-ND1 3.44Å; D730-H733 IonicContact OD2-CE1 3.45Å; D730-H733 IonicContact OD2-CG 2.69Å; D730-H733 IonicContact OD2-ND1 3.52Å; D730-H733 PolarHBondContact OD2-ND1 3.23Å; H733-M735 HydrophobicContact CB-CG 4.03Å; H733-M735 HydrophobicContact CB-SD 4.13Å
734	R	96.2	Very high	92.1	Very high	77 Å²	77	57.6 Å²	57.6	29%	0.291	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	54.5	176.5	-58.8	172.3	42.7	172.9	-6.5	113.3	F498 E499 N531 D730	F498-R734 HydrophobicContact CB-CB 4.43Å; F498-R734 HydrophobicContact CD1-CB 3.74Å; F498-R734 HydrophobicContact CD1-CG 3.83Å; F498-R734 VanDerWaalsContact CD2-C 3.49Å; F498-R734 HydrophobicContact CD2-CB 3.97Å; F498-R734 WeakPolarHBondContact CD2-O 3.39Å; F498-R734 HydrophobicContact CE1-CB 3.9Å; F498-R734 HydrophobicContact CE1-CG 3.83Å; F498-R734 HydrophobicContact CE2-CB 4.12Å; F498-R734 HydrophobicContact CG-CB 3.78Å; F498-R734 HydrophobicContact CG-CG 4.38Å; F498-R734 HydrophobicContact CZ-CB 4.09Å; F498-R734 HydrophobicContact CZ-CG 4.38Å; E499-R734 IonicContact OE1-CZ 3.51Å; E499-R734 IonicContact OE1-NH1 3.74Å; E499-R734 PolarHBondContact OE1-NH1 2.97Å; E499-R734 IonicContact OE1-NH2 2.78Å; E499-R734 PolarHBondContact OE1-NH2 3.14Å; E499-R734 IonicContact OE2-CZ 3.68Å; E499-R734 IonicContact OE2-NH2 3.72Å; E499-R734 PolarHBondContact OE2-NH2 2.82Å; N531-R734 PolarHBondContact ND2-O 3.48Å; D730-R734 CarbonylContact O-C 3.57Å; D730-R734 WeakPolarHBondContact O-CA 3.27Å; D730-R734 PolarHBondContact O-N 3.22Å
735	M	94.3	Very high	91.8	Very high	13 Å²	13	54.2 Å²	54.2	6%	0.064	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	159.9	-177.4	58.4	-176.8	-74.9	0	0	111.9	N531 F595 E596 D730 H733	N531-M735 HydrophobicContact CB-CB 4.39Å; F595-M735 HydrophobicContact CD1-SD 4.25Å; E596-M735 HydrophobicContact CG-CE 3.44Å; E596-M735 VanDerWaalsContact CG-CE 3.44Å; E596-M735 HydrophobicContact CG-SD 4.5Å; D730-M735 HydrophobicContact CB-CG 4.32Å; D730-M735 WeakPolarHBondContact CB-O 3.29Å; D730-M735 PolarHBondContact N-O 2.87Å; D730-M735 PolarHBondContact O-N 3.35Å; H733-M735 HydrophobicContact CB-CG 4.03Å; H733-M735 HydrophobicContact CB-SD 4.13Å
736	P	93.6	Very high	91.6	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	147.7	168.8	28.6	-35.8	0	0	0	111.6	N531 P533 V738 Q739	N531-P736 WeakPolarHBondContact O-CD 3.42Å; P533-P736 HydrophobicContact CB-CB 4.3Å; P533-P736 HydrophobicContact CG-CB 4.3Å; P736-V738 VanDerWaalsContact C-N 3.32Å; P736-V738 PolarHBondContact O-N 3.26Å; P736-Q739 HydrophobicContact CB-CG 4.37Å; P736-Q739 HydrophobicContact CG-CG 3.57Å
737	K	89.9	Confident	91.4	Very high	134 Å²	134	50.4 Å²	50.4	58%	0.583	26%	0.26	S	S	*	.	S	Bend	trans	-71.7	-23.6	178	-67.9	175.4	-177.4	167.7	0	114	A727 S728 T729 D730	A727-K737 PolarHBondContact O-NZ 3.4Å; S728-K737 WeakPolarHBondContact O-CG 3.17Å; S728-K737 PolarHBondContact O-N 3.28Å; T729-K737 WeakPolarHBondContact O-CE 3.4Å; D730-K737 HydrophobicContact CB-CG 4.48Å
738	V	85.8	Confident	91.4	Very high	127 Å²	127	47.2 Å²	47.2	77%	0.77	23%	0.232	S	C	*	.			trans	-132.2	133.5	-178.6	-178.8	0	0	0	0	108.6	P736	P736-V738 VanDerWaalsContact C-N 3.32Å; P736-V738 PolarHBondContact O-N 3.26Å
739	Q	86.5	Confident	91.3	Very high	19 Å²	19	47.9 Å²	47.9	9%	0.089	23%	0.228	C	C	.	.			trans	-138.1	142.3	-178.6	-61	175.5	-81.3	0	0	111.1	C576 P736 W741 F742	C576-Q739 PolarHBondContact SG-NE2 3.33Å; P736-Q739 HydrophobicContact CB-CG 4.37Å; P736-Q739 HydrophobicContact CG-CG 3.57Å; Q739-W741 VanDerWaalsContact C-N 3.3Å; Q739-W741 HydrophobicContact CB-CG 4.42Å; Q739-W741 HydrophobicContact CB-CZ2 4.45Å; Q739-W741 VanDerWaalsContact CD-NE1 3.28Å; Q739-W741 PolarHBondContact O-N 3.16Å; Q739-W741 VanDerWaalsContact OE1-CZ2 3.23Å; Q739-F742 HydrophobicContact CB-CD2 3.96Å; Q739-F742 HydrophobicContact CB-CE2 3.92Å; Q739-F742 HydrophobicContact CG-CE2 4.5Å; Q739-F742 WeakPolarHBondContact O-CD2 2.96Å
740	W	86.9	Confident	91	Very high	39 Å²	39	47.7 Å²	47.7	15%	0.148	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-70.3	-26.7	-175.9	68	-95.1	0	0	0	113.4	N341 D536 F537 Y578 F742 N743	N341-W740 HydrophobicContact CB-CD2 4.22Å; N341-W740 HydrophobicContact CB-CE3 3.93Å; N341-W740 HydrophobicContact CB-CH2 4.36Å; N341-W740 HydrophobicContact CB-CZ3 4.04Å; N341-W740 WeakPolarHBondContact ND2-CB 3.19Å; D536-W740 HydrophobicContact CB-CG 4.46Å; D536-W740 VanDerWaalsContact CG-CD1 3.5Å; D536-W740 PolarHBondContact O-NE1 2.75Å; F537-W740 HydrophobicContact CD1-CZ2 4.41Å; F537-W740 HydrophobicContact CE1-CH2 4.21Å; F537-W740 AromaticContact CE1-CZ2 3.57Å; F537-W740 HydrophobicContact CE1-CZ2 3.57Å; F537-W740 HydrophobicContact CE2-CZ2 4.18Å; F537-W740 AromaticContact CZ-CH2 3.93Å; F537-W740 HydrophobicContact CZ-CH2 3.93Å; F537-W740 AromaticContact CZ-CZ2 3.42Å; F537-W740 HydrophobicContact CZ-CZ2 3.42Å; F537-W740 VanDerWaalsContact CZ-CZ2 3.42Å; Y578-W740 HydrophobicContact CE2-CH2 4.42Å; Y578-W740 AromaticContact CE2-CZ2 3.87Å; Y578-W740 HydrophobicContact CE2-CZ2 3.87Å; W740-F742 VanDerWaalsContact C-N 3.25Å; W740-F742 PolarHBondContact O-N 3.4Å; W740-N743 PolarHBondContact O-N 2.58Å
741	W	90.4	Very high	90.9	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-78.2	-6.4	-170	57.1	-100	0	0	0	113.5	G577 Y578 T581 I594 E596 Q739 N743 L744	G577-W741 VanDerWaalsContact C-CH2 3.49Å; Y578-W741 HydrophobicContact CD2-CB 3.98Å; Y578-W741 AromaticContact CD2-CD1 3.41Å; Y578-W741 VanDerWaalsContact CD2-CD1 3.41Å; Y578-W741 HydrophobicContact CD2-CD2 4.16Å; Y578-W741 AromaticContact CD2-CG 3.59Å; Y578-W741 HydrophobicContact CD2-CG 3.59Å; Y578-W741 AromaticContact CD2-NE1 3.85Å; Y578-W741 HydrophobicContact CE2-CB 4.35Å; Y578-W741 HydrophobicContact CE2-CG 4.39Å; T581-W741 HydrophobicContact CG2-CE3 4.11Å; T581-W741 HydrophobicContact CG2-CZ3 4.41Å; I594-W741 HydrophobicContact CD1-CH2 4.02Å; I594-W741 HydrophobicContact CD1-CZ3 3.87Å; E596-W741 WeakPolarHBondContact OE1-CH2 3.24Å; E596-W741 VanDerWaalsContact OE1-CZ2 3.27Å; E596-W741 WeakPolarHBondContact OE1-CZ2 3.48Å; Q739-W741 VanDerWaalsContact C-N 3.3Å; Q739-W741 HydrophobicContact CB-CG 4.42Å; Q739-W741 HydrophobicContact CB-CZ2 4.45Å; Q739-W741 VanDerWaalsContact CD-NE1 3.28Å; Q739-W741 PolarHBondContact O-N 3.16Å; Q739-W741 VanDerWaalsContact OE1-CZ2 3.23Å; W741-N743 PolarHBondContact O-N 2.67Å; W741-N743 VanDerWaalsContact O-N 3.17Å; W741-L744 HydrophobicContact CB-CD1 4.25Å; W741-L744 WeakPolarHBondContact O-CB 3.14Å; W741-L744 WeakPolarHBondContact O-CG 3.4Å; W741-L744 PolarHBondContact O-N 3.13Å
742	F	88.4	Confident	90.6	Very high	70 Å²	70	42.7 Å²	42.7	31%	0.307	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-56.8	-28.1	170	-82	-85.7	0	0	0	112.7	E596 Q739 W740 L744 R745 P746	E596-F742 HydrophobicContact CB-CE1 3.66Å; E596-F742 HydrophobicContact CB-CZ 3.33Å; E596-F742 HydrophobicContact CG-CZ 3.78Å; Q739-F742 HydrophobicContact CB-CD2 3.96Å; Q739-F742 HydrophobicContact CB-CE2 3.92Å; Q739-F742 HydrophobicContact CG-CE2 4.5Å; Q739-F742 WeakPolarHBondContact O-CD2 2.96Å; W740-F742 VanDerWaalsContact C-N 3.25Å; W740-F742 PolarHBondContact O-N 3.4Å; F742-L744 PolarHBondContact O-N 3.15Å; F742-R745 HydrophobicContact CD1-CG 4.3Å; F742-R745 VanDerWaalsContact O-CB 3.31Å; F742-R745 WeakPolarHBondContact O-CB 3.25Å; F742-R745 VanDerWaalsContact O-CG 3.28Å; F742-R745 WeakPolarHBondContact O-CG 3.38Å; F742-R745 PolarHBondContact O-N 2.85Å; F742-P746 WeakPolarHBondContact O-CD 3.07Å
743	N	84.9	Confident	90.2	Very high	78 Å²	78	41.4 Å²	41.4	42%	0.417	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-61	-16.6	175.3	-62.6	-12.5	0	0	0	112.7	W740 W741 M747	W740-N743 PolarHBondContact O-N 2.58Å; W741-N743 PolarHBondContact O-N 2.67Å; W741-N743 VanDerWaalsContact O-N 3.17Å; N743-M747 WeakPolarHBondContact O-CE 3.3Å
744	L	89.7	Confident	89.6	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-77.2	-22.9	173.1	-62.2	179.1	0	0	0	113.6	K315 T581 I585 W741 F742 M747 L748	K315-L744 HydrophobicContact CD-CD2 4.3Å; K315-L744 HydrophobicContact CG-CD2 4.18Å; T581-L744 HydrophobicContact CG2-CB 3.89Å; T581-L744 HydrophobicContact CG2-CD1 4.45Å; I585-L744 HydrophobicContact CG1-CB 4.29Å; W741-L744 HydrophobicContact CB-CD1 4.25Å; W741-L744 WeakPolarHBondContact O-CB 3.14Å; W741-L744 WeakPolarHBondContact O-CG 3.4Å; W741-L744 PolarHBondContact O-N 3.13Å; F742-L744 PolarHBondContact O-N 3.15Å; L744-M747 HydrophobicContact CD2-CE 3.83Å; L744-M747 WeakPolarHBondContact O-CB 3.33Å; L744-M747 PolarHBondContact O-N 3.46Å; L744-L748 PolarHBondContact O-N 2.94Å
745	R	90.7	Very high	88.3	Confident	17 Å²	17	43.8 Å²	43.8	6%	0.064	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-45.7	-172.4	-56.7	-65.6	-61.7	173.1	4.8	112.4	T581 A592 E597 F742 M747 L748 K749	T581-R745 HydrophobicContact CG2-CG 4.47Å; T581-R745 PolarHBondContact OG1-NH1 2.94Å; A592-R745 PolarHBondContact O-NH1 3.3Å; A592-R745 PolarHBondContact O-NH2 3.19Å; E597-R745 IonicContact OE2-CZ 2.84Å; E597-R745 VanDerWaalsContact OE2-CZ 3.29Å; E597-R745 IonicContact OE2-NE 3.34Å; E597-R745 PolarHBondContact OE2-NE 3.43Å; E597-R745 IonicContact OE2-NH2 3.55Å; E597-R745 PolarHBondContact OE2-NH2 3.18Å; F742-R745 HydrophobicContact CD1-CG 4.3Å; F742-R745 VanDerWaalsContact O-CB 3.31Å; F742-R745 WeakPolarHBondContact O-CB 3.25Å; F742-R745 VanDerWaalsContact O-CG 3.28Å; F742-R745 WeakPolarHBondContact O-CG 3.38Å; F742-R745 PolarHBondContact O-N 2.85Å; R745-M747 VanDerWaalsContact C-N 3.32Å; R745-M747 PolarHBondContact O-N 3.22Å; R745-L748 WeakPolarHBondContact O-CB 3.44Å; R745-L748 PolarHBondContact O-N 3.3Å; R745-K749 PolarHBondContact O-N 3.09Å
746	P	89.6	Confident	87	Confident	10 Å²	10	44 Å²	44	7%	0.065	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-40.6	174.6	-23.8	35.5	0	0	0	112.2	F742 L748 K749 M750 T756 E760	F742-P746 WeakPolarHBondContact O-CD 3.07Å; P746-L748 VanDerWaalsContact C-N 3.33Å; P746-L748 PolarHBondContact O-N 3.04Å; P746-K749 PolarHBondContact O-N 3.3Å; P746-M750 HydrophobicContact CB-CE 4.21Å; P746-M750 VanDerWaalsContact O-CG 3.31Å; P746-M750 WeakPolarHBondContact O-CG 3.31Å; P746-M750 PolarHBondContact O-N 2.77Å; P746-T756 HydrophobicContact CB-CG2 4.27Å; P746-E760 HydrophobicContact CG-CB 4.08Å
747	M	89.9	Confident	85.4	Confident	12 Å²	12	45 Å²	45	6%	0.059	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-41.2	178.3	-69.4	-173.9	-110	0	0	112.3	K315 V318 I585 N743 L744 R745 K749 M750 L751 Y761	K315-M747 HydrophobicContact CG-CE 4.11Å; K315-M747 HydrophobicContact CG-SD 4.08Å; V318-M747 HydrophobicContact CG1-CG 4.42Å; I585-M747 HydrophobicContact CD1-CB 4.34Å; N743-M747 WeakPolarHBondContact O-CE 3.3Å; L744-M747 HydrophobicContact CD2-CE 3.83Å; L744-M747 WeakPolarHBondContact O-CB 3.33Å; L744-M747 PolarHBondContact O-N 3.46Å; R745-M747 VanDerWaalsContact C-N 3.32Å; R745-M747 PolarHBondContact O-N 3.22Å; M747-K749 PolarHBondContact O-N 2.53Å; M747-M750 HydrophobicContact CG-CE 4.24Å; M747-L751 VanDerWaalsContact O-CB 3.3Å; M747-L751 WeakPolarHBondContact O-CB 3.4Å; M747-L751 VanDerWaalsContact O-CG 3.24Å; M747-L751 WeakPolarHBondContact O-CG 3.31Å; M747-L751 PolarHBondContact O-N 2.64Å; M747-Y761 HydrophobicContact CE-CE2 4.1Å; M747-Y761 HydrophobicContact CG-CD2 4.26Å; M747-Y761 HydrophobicContact CG-CE2 3.96Å; M747-Y761 HydrophobicContact SD-CE2 4.18Å
748	L	92	Very high	83.9	Confident	9 Å²	9	40.4 Å²	40.4	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-50.9	176.3	-177	64.4	0	0	0	110.9	A584 I585 A592 L744 R745 P746 A752	A584-L748 HydrophobicContact CB-CD1 3.8Å; A584-L748 HydrophobicContact CB-CD2 3.89Å; I585-L748 HydrophobicContact CD1-CB 3.64Å; I585-L748 HydrophobicContact CD1-CD1 3.99Å; I585-L748 HydrophobicContact CD1-CG 4.41Å; A592-L748 HydrophobicContact CB-CD2 3.62Å; L744-L748 PolarHBondContact O-N 2.94Å; R745-L748 WeakPolarHBondContact O-CB 3.44Å; R745-L748 PolarHBondContact O-N 3.3Å; P746-L748 VanDerWaalsContact C-N 3.33Å; P746-L748 PolarHBondContact O-N 3.04Å; L748-A752 VanDerWaalsContact O-CB 3.3Å; L748-A752 WeakPolarHBondContact O-CB 3.38Å; L748-A752 PolarHBondContact O-N 2.63Å
749	K	90.4	Very high	82.4	Confident	65 Å²	65	39.2 Å²	39.2	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-47	-178.8	-69.4	-174.8	-177.8	178.3	0	111.9	E597 R745 P746 M747 A752 R753 Y754 T756	E597-K749 WeakPolarHBondContact OE1-CE 3.49Å; E597-K749 IonicContact OE1-NZ 3.59Å; E597-K749 PolarHBondContact OE1-NZ 3.13Å; R745-K749 PolarHBondContact O-N 3.09Å; P746-K749 PolarHBondContact O-N 3.3Å; M747-K749 PolarHBondContact O-N 2.53Å; K749-A752 CarbonylContact O-C 3.39Å; K749-A752 PolarHBondContact O-N 3.19Å; K749-R753 PolarHBondContact O-N 3.1Å; K749-Y754 PolarHBondContact O-N 2.93Å; K749-T756 WeakPolarHBondContact CB-OG1 3.28Å; K749-T756 WeakPolarHBondContact CD-OG1 3.37Å
750	M	90.5	Very high	81	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-48.3	178.4	-69.8	-173	-71.8	0	0	111.9	M40 Y43 P746 M747 A752 R753 F758 Y761	M40-M750 HydrophobicContact CE-SD 4.13Å; M40-M750 HydrophobicContact SD-SD 4.16Å; Y43-M750 HydrophobicContact CD1-CB 4.33Å; Y43-M750 HydrophobicContact CD1-CG 4.26Å; Y43-M750 HydrophobicContact CD1-SD 4.41Å; Y43-M750 WeakPolarHBondContact CD2-O 3.34Å; Y43-M750 HydrophobicContact CE1-CB 4.2Å; Y43-M750 HydrophobicContact CE1-CG 3.7Å; Y43-M750 HydrophobicContact CE1-SD 4Å; Y43-M750 HydrophobicContact CE2-CB 4.4Å; Y43-M750 HydrophobicContact CE2-CG 4.44Å; P746-M750 HydrophobicContact CB-CE 4.21Å; P746-M750 VanDerWaalsContact O-CG 3.31Å; P746-M750 WeakPolarHBondContact O-CG 3.31Å; P746-M750 PolarHBondContact O-N 2.77Å; M747-M750 HydrophobicContact CG-CE 4.24Å; M750-A752 PolarHBondContact O-N 2.8Å; M750-R753 PolarHBondContact O-N 3.37Å; M750-F758 HydrophobicContact CE-CE2 4.38Å; M750-F758 HydrophobicContact SD-CD2 3.63Å; M750-F758 HydrophobicContact SD-CE2 3.75Å; M750-Y761 HydrophobicContact CE-CD2 4.09Å
751	L	92.6	Very high	80.1	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-73.6	-10.9	-179.3	-64.2	174.8	0	0	0	113.6	R39 M40 W70 T314 V318 M747	R39-L751 HydrophobicContact CB-CD2 3.72Å; R39-L751 WeakPolarHBondContact CD-O 3.47Å; R39-L751 PolarHBondContact NH1-O 2.86Å; M40-L751 HydrophobicContact CB-CD2 4.47Å; W70-L751 WeakPolarHBondContact CH2-O 3.48Å; W70-L751 WeakPolarHBondContact CZ2-O 3.4Å; T314-L751 HydrophobicContact CG2-CD1 3.22Å; V318-L751 HydrophobicContact CG2-CD1 4.04Å; V318-L751 HydrophobicContact CG2-CD2 4.04Å; V318-L751 HydrophobicContact CG2-CG 4.27Å; M747-L751 VanDerWaalsContact O-CB 3.3Å; M747-L751 WeakPolarHBondContact O-CB 3.4Å; M747-L751 VanDerWaalsContact O-CG 3.24Å; M747-L751 WeakPolarHBondContact O-CG 3.31Å; M747-L751 PolarHBondContact O-N 2.64Å
752	A	90.4	Very high	79.1	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-99.2	-0.9	169.3	0	0	0	0	0	113.2	H610 L748 K749 M750 Y754	H610-A752 PolarHBondContact CE1-O 3.35Å; H610-A752 PolarHBondContact NE2-O 3.28Å; H610-A752 VanDerWaalsContact NE2-O 3.08Å; L748-A752 VanDerWaalsContact O-CB 3.3Å; L748-A752 WeakPolarHBondContact O-CB 3.38Å; L748-A752 PolarHBondContact O-N 2.63Å; K749-A752 CarbonylContact O-C 3.39Å; K749-A752 PolarHBondContact O-N 3.19Å; M750-A752 PolarHBondContact O-N 2.8Å; A752-Y754 HydrophobicContact CB-CD2 3.71Å; A752-Y754 HydrophobicContact CB-CE2 3.78Å
753	R	87	Confident	78.1	Confident	135 Å²	135	47.5 Å²	47.5	51%	0.509	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	26.9	178.9	-156.2	-175.8	176	167.7	2.2	114.3	W70 K749 M750	W70-R753 HydrophobicContact CH2-CB 3.81Å; W70-R753 HydrophobicContact CH2-CG 4.4Å; W70-R753 HydrophobicContact CZ2-CB 3.7Å; W70-R753 HydrophobicContact CZ3-CB 4.48Å; K749-R753 PolarHBondContact O-N 3.1Å; M750-R753 PolarHBondContact O-N 3.37Å
754	Y	82.8	Confident	77.2	Confident	24 Å²	24	44.4 Å²	44.4	9%	0.094	22%	0.224	C	C	.	.			trans	-75.7	153.7	166	-72	-87.9	0	0	0	110.7	Y43 D590 N607 H610 K749 A752 T756	Y43-Y754 WeakPolarHBondContact CE2-O 3.44Å; Y43-Y754 PolarHBondContact OH-O 3.49Å; D590-Y754 WeakPolarHBondContact O-CE2 3.43Å; N607-Y754 WeakPolarHBondContact OD1-CE1 3.24Å; N607-Y754 PolarHBondContact OD1-OH 3.45Å; H610-Y754 HydrophobicContact CB-CE1 3.75Å; H610-Y754 AromaticContact CD2-CE2 3.76Å; H610-Y754 AromaticContact CD2-CZ 3.44Å; H610-Y754 VanDerWaalsContact CD2-CZ 3.44Å; H610-Y754 PolarHBondContact CD2-OH 3.33Å; H610-Y754 VanDerWaalsContact CD2-OH 3.31Å; H610-Y754 AromaticContact CG-CE1 3.61Å; H610-Y754 AromaticContact CG-CZ 3.54Å; H610-Y754 AromaticContact ND1-CE1 3.94Å; H610-Y754 AromaticContact NE2-CE2 3.8Å; H610-Y754 AromaticContact NE2-CZ 3.96Å; K749-Y754 PolarHBondContact O-N 2.93Å; A752-Y754 HydrophobicContact CB-CD2 3.71Å; A752-Y754 HydrophobicContact CB-CE2 3.78Å; Y754-T756 PolarHBondContact O-N 2.8Å
755	Q	68.9	Low	76.4	Confident	141 Å²	141	51.9 Å²	51.9	66%	0.659	26%	0.259	S	S	*	.			trans	-78.2	113	172	-62.2	-169.4	-0	0	0	108.8
756	T	66.7	Low	75.7	Confident	17 Å²	17	54.7 Å²	54.7	10%	0.104	27%	0.274	C	S	.	.			trans	-134.8	148.3	177.5	-81.9	0	0	0	0	110	Y43 P746 K749 Y754 F758	Y43-T756 PolarHBondContact OH-N 3.08Å; Y43-T756 PolarHBondContact OH-O 2.9Å; P746-T756 HydrophobicContact CB-CG2 4.27Å; K749-T756 WeakPolarHBondContact CB-OG1 3.28Å; K749-T756 WeakPolarHBondContact CD-OG1 3.37Å; Y754-T756 PolarHBondContact O-N 2.8Å; T756-F758 PolarHBondContact O-N 2.97Å
757	N	58.6	Low	75.3	Confident	34 Å²	34	58.5 Å²	58.5	18%	0.182	29%	0.291	C	S	.	.			trans	-73	123.9	176.3	-168.7	-6.7	0	0	0	110.6	M1 V759 E760	M1-N757 PolarHBondContact SD-ND2 3.19Å; N757-V759 PolarHBondContact O-N 3.27Å; N757-V759 WeakPolarHBondContact OD1-CB 3.42Å; N757-V759 VanDerWaalsContact OD1-CG2 3.3Å; N757-V759 WeakPolarHBondContact OD1-CG2 3.45Å; N757-V759 PolarHBondContact OD1-N 3.15Å; N757-V759 VanDerWaalsContact OD1-N 3.07Å; N757-E760 PolarHBondContact O-N 3.41Å
758	F	59.9	Low	74.8	Confident	38 Å²	38	63.7 Å²	63.7	17%	0.167	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-70.5	-19.2	179.2	-160.9	-105.3	0	0	0	113.2	L9 M40 I322 M750 T756 E760 Y761	L9-F758 HydrophobicContact CD1-CB 3.93Å; L9-F758 HydrophobicContact CD2-CB 3.49Å; L9-F758 VanDerWaalsContact CD2-CB 3.49Å; L9-F758 HydrophobicContact CD2-CD1 3.76Å; L9-F758 HydrophobicContact CD2-CG 3.86Å; L9-F758 HydrophobicContact CG-CB 4.25Å; M40-F758 HydrophobicContact CE-CD2 4.23Å; M40-F758 HydrophobicContact CE-CE2 3.31Å; M40-F758 HydrophobicContact CE-CZ 3.91Å; I322-F758 HydrophobicContact CD1-CE2 4.19Å; I322-F758 HydrophobicContact CD1-CZ 3.57Å; I322-F758 HydrophobicContact CG1-CZ 3.79Å; I322-F758 HydrophobicContact CG2-CZ 4.47Å; M750-F758 HydrophobicContact CE-CE2 4.38Å; M750-F758 HydrophobicContact SD-CD2 3.63Å; M750-F758 HydrophobicContact SD-CE2 3.75Å; T756-F758 PolarHBondContact O-N 2.97Å; F758-E760 PolarHBondContact O-N 3.09Å; F758-Y761 HydrophobicContact CZ-CD1 4.16Å; F758-Y761 WeakPolarHBondContact O-CB 3.38Å; F758-Y761 PolarHBondContact O-N 3.35Å
759	V	53.2	Low	73.9	Confident	102 Å²	102	63.8 Å²	63.8	62%	0.618	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.7	-22	177.2	178.7	0	0	0	0	112.3	N757 Y761	N757-V759 PolarHBondContact O-N 3.27Å; N757-V759 WeakPolarHBondContact OD1-CB 3.42Å; N757-V759 VanDerWaalsContact OD1-CG2 3.3Å; N757-V759 WeakPolarHBondContact OD1-CG2 3.45Å; N757-V759 PolarHBondContact OD1-N 3.15Å; N757-V759 VanDerWaalsContact OD1-N 3.07Å; V759-Y761 VanDerWaalsContact C-N 3.27Å
760	E	58.5	Low	73	Confident	117 Å²	117	63.8 Å²	63.8	55%	0.547	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-76.7	-14.4	175.2	-65.1	173.7	-167.7	0	0	112.8	P746 N757 F758	P746-E760 HydrophobicContact CG-CB 4.08Å; N757-E760 PolarHBondContact O-N 3.41Å; F758-E760 PolarHBondContact O-N 3.09Å
761	Y	67.4	Low	71.6	Confident	23 Å²	23	70.3 Å²	70.3	9%	0.09	35%	0.346	C	S	.	.			trans	-87.3	125.5	173.8	-174	-90	0	0	0	109.9	V318 E319 I322 M747 M750 F758 V759 P763	V318-Y761 HydrophobicContact CG1-CE2 4.05Å; E319-Y761 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y761 WeakPolarHBondContact OE2-CE1 3.16Å; E319-Y761 VanDerWaalsContact OE2-CZ 3.32Å; E319-Y761 PolarHBondContact OE2-OH 2.77Å; I322-Y761 HydrophobicContact CD1-CD1 3.52Å; I322-Y761 HydrophobicContact CD1-CE1 3.04Å; I322-Y761 HydrophobicContact CD1-CE2 4.37Å; I322-Y761 HydrophobicContact CD1-CG 4.36Å; I322-Y761 HydrophobicContact CG1-CE1 4.49Å; M747-Y761 HydrophobicContact CE-CE2 4.1Å; M747-Y761 HydrophobicContact CG-CD2 4.26Å; M747-Y761 HydrophobicContact CG-CE2 3.96Å; M747-Y761 HydrophobicContact SD-CE2 4.18Å; M750-Y761 HydrophobicContact CE-CD2 4.09Å; F758-Y761 HydrophobicContact CZ-CD1 4.16Å; F758-Y761 WeakPolarHBondContact O-CB 3.38Å; F758-Y761 PolarHBondContact O-N 3.35Å; V759-Y761 VanDerWaalsContact C-N 3.27Å; Y761-P763 HydrophobicContact CD1-CG 4.38Å; Y761-P763 WeakPolarHBondContact O-CD 3.22Å
762	V	68.1	Low	69.8	Low	115 Å²	115	79.2 Å²	79.2	70%	0.697	38%	0.379	S	S	*	.			trans	-97.8	110.8	176.5	-177.1	0	0	0	0	108.6
763	P	68.8	Low	68.2	Low	49 Å²	49	81.3 Å²	81.3	32%	0.318	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-65.1	153	177	-18.2	31.9	0	0	0	112.3	I322 Y761	I322-P763 HydrophobicContact CG2-CB 4.32Å; I322-P763 HydrophobicContact CG2-CG 4.44Å; Y761-P763 HydrophobicContact CD1-CG 4.38Å; Y761-P763 WeakPolarHBondContact O-CD 3.22Å
764	G	64.5	Low	66.8	Low	13 Å²	13	75.7 Å²	75.7	13%	0.134	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.2	137.9	172.2	0	0	0	0	0	111.3	E319 R345	E319-G764 PolarHBondContact OE1-N 2.87Å; R345-G764 VanDerWaalsContact CD-O 3.31Å; R345-G764 WeakPolarHBondContact CD-O 3.38Å; R345-G764 PolarHBondContact NE-O 2.82Å; R345-G764 VanDerWaalsContact NE-O 3.14Å
765	E	73.6	Confident	65.1	Low	159 Å²	159	78 Å²	78	74%	0.743	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-78.6	159.7	171.2	-65.8	-173.1	174.8	0	0	111.1	R345 E767	R345-E765 PolarHBondContact N-O 2.78Å; E765-E767 PolarHBondContact O-N 2.91Å
766	M	76.4	Confident	63.8	Low	76 Å²	76	77.2 Å²	77.2	37%	0.374	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-80.5	116.9	174.5	-172.4	170.2	-75.8	0	0	109.7	T331 P332 C334 R345 P347	T331-M766 HydrophobicContact CG2-CE 4.36Å; P332-M766 HydrophobicContact CG-CE 3.92Å; P332-M766 HydrophobicContact CG-SD 3.86Å; C334-M766 HydrophobicContact CB-CE 4.18Å; R345-M766 CarbonylContact O-C 3.58Å; R345-M766 VanDerWaalsContact O-CA 3.32Å; R345-M766 WeakPolarHBondContact O-CA 3.39Å; P347-M766 HydrophobicContact CG-CG 4.31Å; P347-M766 HydrophobicContact CG-SD 4.28Å
767	E	81.9	Confident	62.8	Low	89 Å²	89	78.5 Å²	78.5	42%	0.416	40%	0.398	S	S	.	.			trans	-110.6	131.9	179.6	-64.7	-177.3	-174.3	0	0	110.1	R345 L346 P347 E765	R345-E767 PolarHBondContact O-N 3.05Å; L346-E767 HydrophobicContact CD2-CB 3.98Å; L346-E767 WeakPolarHBondContact CD2-O 3.42Å; P347-E767 WeakPolarHBondContact CD-O 3.47Å; E765-E767 PolarHBondContact O-N 2.91Å
768	H	79.1	Confident	61.4	Low	121 Å²	121	81.4 Å²	81.4	56%	0.56	43%	0.427	S	S	*	.			trans	-79	139.3	177.9	-74.3	-75.8	0	0	0	111.8	E350 S773	E350-H768 IonicContact OE1-CE1 2.93Å; E350-H768 IonicContact OE1-CG 3.73Å; E350-H768 IonicContact OE1-ND1 2.75Å; E350-H768 PolarHBondContact OE1-ND1 3.49Å; E350-H768 WeakPolarHBondContact OE2-CA 3.28Å; E350-H768 IonicContact OE2-CG 2.75Å; E350-H768 IonicContact OE2-ND1 2.85Å; E350-H768 PolarHBondContact OE2-ND1 3.05Å; H768-S773 PolarHBondContact O-OG 3.03Å
769	V	72.9	Confident	60	Low	11 Å²	11	83 Å²	83	7%	0.067	45%	0.454	C	S	.	.			trans	-99.8	108.2	178.6	-173.3	0	0	0	0	109.1	L346 E350 M354 I774	L346-V769 HydrophobicContact CB-CG2 4.03Å; L346-V769 HydrophobicContact CD1-CG2 4.23Å; L346-V769 HydrophobicContact CD2-CG2 3.78Å; L346-V769 HydrophobicContact CG-CG2 4.23Å; E350-V769 HydrophobicContact CB-CB 4.16Å; E350-V769 PolarHBondContact OE2-N 3.02Å; M354-V769 HydrophobicContact CG-CG1 4.05Å; V769-I774 HydrophobicContact CG1-CD1 3.87Å; V769-I774 HydrophobicContact CG1-CG1 4.32Å
770	T	71.3	Confident	60.4	Low	65 Å²	65	82.1 Å²	82.1	40%	0.399	45%	0.446	S	S	.	.			trans	-127.1	164.4	-179.7	66.6	0	0	0	0	110.3	R772 S773 I774	T770-R772 PolarHBondContact O-N 3.38Å; T770-R772 VanDerWaalsContact O-N 3.17Å; T770-R772 PolarHBondContact OG1-N 3.41Å; T770-S773 PolarHBondContact N-OG 2.93Å; T770-S773 PolarHBondContact O-N 3.41Å; T770-S773 VanDerWaalsContact O-N 3.11Å; T770-S773 PolarHBondContact O-OG 2.86Å; T770-S773 VanDerWaalsContact O-OG 3.08Å; T770-S773 PolarHBondContact OG1-N 3.32Å; T770-I774 PolarHBondContact O-N 3.38Å; T770-I774 VanDerWaalsContact O-N 3.09Å
771	R	60.7	Low	60.5	Low	138 Å²	138	80.2 Å²	80.2	52%	0.521	44%	0.441	S	S	.	.	H	α-helix	trans	-52.4	-37.1	170.4	-71.4	-178	177.3	-157.8	-8.7	112.3	M354 E369 L373 S775	M354-R771 HydrophobicContact CE-CG 3.76Å; M354-R771 HydrophobicContact SD-CG 4.4Å; E369-R771 IonicContact OE1-CZ 3.97Å; E369-R771 IonicContact OE1-NH2 3.74Å; L373-R771 HydrophobicContact CD2-CG 4.45Å; R771-S775 WeakPolarHBondContact O-CB 3.48Å; R771-S775 PolarHBondContact O-N 3.43Å; R771-S775 PolarHBondContact O-OG 3.43Å
772	R	54.8	Low	60.1	Low	192 Å²	192	83.4 Å²	83.4	73%	0.725	46%	0.46	S	S	*	.	H	α-helix	trans	-70.3	-44.5	177.9	-70	-176.6	-179.2	175.8	0.4	111.5	T770 I774 S775 I776	T770-R772 PolarHBondContact O-N 3.38Å; T770-R772 VanDerWaalsContact O-N 3.17Å; T770-R772 PolarHBondContact OG1-N 3.41Å; R772-I774 PolarHBondContact O-N 2.76Å; R772-S775 PolarHBondContact O-N 3.11Å; R772-S775 VanDerWaalsContact O-N 3.09Å; R772-S775 PolarHBondContact O-OG 3.47Å; R772-I776 HydrophobicContact CB-CD1 4.04Å; R772-I776 WeakPolarHBondContact O-CB 3.44Å; R772-I776 VanDerWaalsContact O-CD1 3.31Å; R772-I776 WeakPolarHBondContact O-CD1 3.41Å; R772-I776 WeakPolarHBondContact O-CG1 3.16Å; R772-I776 PolarHBondContact O-N 3.11Å
773	S	57.8	Low	59.6	Low	48 Å²	48	81.5 Å²	81.5	34%	0.336	45%	0.446	S	S	.	.	H	α-helix	trans	-66	-27.1	179.5	65.2	0	0	0	0	112.9	H768 T770	H768-S773 PolarHBondContact O-OG 3.03Å; T770-S773 PolarHBondContact N-OG 2.93Å; T770-S773 PolarHBondContact O-N 3.41Å; T770-S773 VanDerWaalsContact O-N 3.11Å; T770-S773 PolarHBondContact O-OG 2.86Å; T770-S773 VanDerWaalsContact O-OG 3.08Å; T770-S773 PolarHBondContact OG1-N 3.32Å
774	I	57.3	Low	59	Low	18 Å²	18	83.6 Å²	83.6	9%	0.092	45%	0.454	C	S	.	.	H	α-helix	trans	-77.9	-31.2	172.4	-67.4	163.6	0	0	0	112.1	C170 M354 K372 V769 T770 R772	C170-I774 HydrophobicContact CB-CD1 4.47Å; M354-I774 HydrophobicContact CB-CD1 4.34Å; M354-I774 HydrophobicContact CE-CD1 3.52Å; M354-I774 HydrophobicContact CG-CD1 4.17Å; K372-I774 WeakPolarHBondContact O-CG2 3.32Å; V769-I774 HydrophobicContact CG1-CD1 3.87Å; V769-I774 HydrophobicContact CG1-CG1 4.32Å; T770-I774 PolarHBondContact O-N 3.38Å; T770-I774 VanDerWaalsContact O-N 3.09Å; R772-I774 PolarHBondContact O-N 2.76Å
775	S	46.4	Very low	58.7	Low	73 Å²	73	88.3 Å²	88.3	51%	0.51	48%	0.476	S	S	.	.	H	α-helix	trans	-90.7	-18.6	-178.5	80.4	0	0	0	0	115.1	R771 R772 D777	R771-S775 WeakPolarHBondContact O-CB 3.48Å; R771-S775 PolarHBondContact O-N 3.43Å; R771-S775 PolarHBondContact O-OG 3.43Å; R772-S775 PolarHBondContact O-N 3.11Å; R772-S775 VanDerWaalsContact O-N 3.09Å; R772-S775 PolarHBondContact O-OG 3.47Å; S775-D777 PolarHBondContact O-N 3.03Å
776	I	42.2	Very low	57.6	Low	123 Å²	123	83.2 Å²	83.2	63%	0.631	46%	0.456	S	S	*	.			trans	-71.8	-7.1	-179.2	-73.5	162.4	0	0	0	111.8	R772 A778	R772-I776 HydrophobicContact CB-CD1 4.04Å; R772-I776 WeakPolarHBondContact O-CB 3.44Å; R772-I776 VanDerWaalsContact O-CD1 3.31Å; R772-I776 WeakPolarHBondContact O-CD1 3.41Å; R772-I776 WeakPolarHBondContact O-CG1 3.16Å; R772-I776 PolarHBondContact O-N 3.11Å; I776-A778 PolarHBondContact O-N 3.44Å
777	D	44.3	Very low	56.2	Low	45 Å²	45	83.8 Å²	83.8	24%	0.241	46%	0.463	C	S	.	.			trans	-69.2	24.4	167.6	-75.1	-18.1	0	0	0	113.6	K715 S775 G779	K715-D777 IonicContact NZ-OD2 3.33Å; S775-D777 PolarHBondContact O-N 3.03Å; D777-G779 PolarHBondContact O-N 3.11Å
778	A	30.1	Very low	54	Low	94 Å²	94	83.3 Å²	83.3	78%	0.777	47%	0.467	S	S	*	.			trans	-72.3	73.9	163.7	0	0	0	0	0	108.6	I776	I776-A778 PolarHBondContact O-N 3.44Å
779	G	31.4	Very low	51.7	Low	72 Å²	72	79.9 Å²	79.9	74%	0.742	46%	0.458	S	S	*	.			trans	-82.7	0	175.8	0	0	0	0	0	113.8	K681 D777	K681-G779 PolarHBondContact NZ-O 3.42Å; D777-G779 PolarHBondContact O-N 3.11Å

Retrieved 779 of 779 residues in 257.5 ms (Link to these results)

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