A0A087XJW4_POEFO Loading...

L-dopachrome tautomerase

Plays a role in melanin biosynthesis. Catalyzes the conversion of L-dopachrome into 5,6-dihydroxyindole-2-carboxylic acid (DHICA).

AlphaFold DB , UniProt , Accession A0A087XJW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 523 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	N	43.3	Very low	36.6	Very low	219 Å²	219	170 Å²	170	100%	1.171	81%	0.806	S	S	*	*				0	110.8	0	-138.5	3.4	0	0	0	108.5
2	R	33.9	Very low	36.4	Very low	213 Å²	213	160.9 Å²	160.9	80%	0.804	79%	0.791	S	S	*	*			trans	126.6	131.8	174.2	-71.5	-166.7	-174.7	-163.8	0.4	113
3	W	31.6	Very low	36.7	Very low	185 Å²	185	157.8 Å²	157.8	70%	0.701	79%	0.787	S	S	*	*			trans	99.1	86.2	156.2	-55	104.7	0	0	0	120.1
4	K	32.9	Very low	36.9	Very low	174 Å²	174	155.4 Å²	155.4	76%	0.757	78%	0.784	S	S	*	*				69.8	98.7	122.3	-69.5	-167.7	-177.3	178.4	0	120.6
5	M	38.1	Very low	36.8	Very low	169 Å²	169	151.6 Å²	151.6	83%	0.833	78%	0.778	S	S	*	*			trans	-24.2	126.5	132.5	-155.5	157.9	77.9	0	0	115.5
6	R	32	Very low	36.6	Very low	240 Å²	240	150.4 Å²	150.4	91%	0.906	77%	0.773	S	S	*	*			trans	-145.6	114.2	144.6	-85.8	-167.5	172.6	177.4	-3.5	109.9
7	I	41	Very low	36.4	Very low	143 Å²	143	150.2 Å²	150.2	73%	0.733	77%	0.773	S	S	*	*			trans	-64.6	128.6	163.3	-69.5	163.3	0	0	0	107.5	L9	I7-L9 HydrophobicContact CG2-CD1 4.3Å
8	V	35.1	Very low	36.1	Very low	116 Å²	116	149.4 Å²	149.4	70%	0.703	77%	0.769	S	S	*	*			trans	-126.6	106.6	160.9	177.9	0	0	0	0	106.5	V10	V8-V10 HydrophobicContact CG1-CG2 4.02Å; V8-V10 PolarHBondContact O-N 3.3Å
9	L	38.7	Very low	35.6	Very low	139 Å²	139	146.5 Å²	146.5	73%	0.728	76%	0.762	S	S	*	*			trans	-60.1	116.7	161.4	-111.5	89.2	0	0	0	107.4	I7 L11	I7-L9 HydrophobicContact CG2-CD1 4.3Å; L9-L11 HydrophobicContact CD2-CD1 4.18Å
10	V	36.5	Very low	35.2	Very low	127 Å²	127	145.3 Å²	145.3	77%	0.77	76%	0.761	S	S	*	*			trans	-104.6	92.2	163.2	-178.8	0	0	0	0	107.1	V8 G12	V8-V10 HydrophobicContact CG1-CG2 4.02Å; V8-V10 PolarHBondContact O-N 3.3Å; V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3.08Å; V10-G12 VanDerWaalsContact O-N 3.07Å
11	L	39.6	Very low	34.9	Very low	145 Å²	145	147.2 Å²	147.2	76%	0.759	76%	0.764	S	S	*	*			trans	-69.4	89.4	159.2	-96.7	148.9	0	0	0	107.2	L9 T13	L9-L11 HydrophobicContact CD2-CD1 4.18Å; L11-T13 PolarHBondContact O-N 3.12Å
12	G	34.1	Very low	34.2	Very low	61 Å²	61	140.3 Å²	140.3	63%	0.629	73%	0.731	S	S	*	*			trans	-78.4	92.1	169.4	0	0	0	0	0	109.6	V10 V14	V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3.08Å; V10-G12 VanDerWaalsContact O-N 3.07Å; G12-V14 PolarHBondContact O-N 3.31Å
13	T	40.3	Very low	33.9	Very low	121 Å²	121	132.3 Å²	132.3	74%	0.742	71%	0.71	S	S	*	*			trans	-63.5	102.7	164.3	42.5	0	0	0	0	108.8	L11 S15	L11-T13 PolarHBondContact O-N 3.12Å; T13-S15 VanDerWaalsContact C-N 3.27Å; T13-S15 PolarHBondContact O-N 3.01Å
14	V	39	Very low	34.4	Very low	123 Å²	123	123.9 Å²	123.9	75%	0.745	68%	0.678	S	S	*	*			trans	-68.4	90.4	164.5	177.4	0	0	0	0	106.8	G12 L16	G12-V14 PolarHBondContact O-N 3.31Å; V14-L16 HydrophobicContact CG1-CD1 3.63Å; V14-L16 PolarHBondContact O-N 3.42Å
15	S	35.9	Very low	34.3	Very low	99 Å²	99	115.6 Å²	115.6	69%	0.692	64%	0.642	S	S	*	*			trans	-70.3	90.6	162.2	-75.5	0	0	0	0	107.2	T13 L17	T13-S15 VanDerWaalsContact C-N 3.27Å; T13-S15 PolarHBondContact O-N 3.01Å; S15-L17 PolarHBondContact O-N 3.17Å
16	L	33.5	Very low	35.8	Very low	132 Å²	132	107.6 Å²	107.6	69%	0.691	60%	0.603	S	S	*	*			trans	-64.2	87.9	158.5	-121.5	88.5	0	0	0	106.2	V14 L18	V14-L16 HydrophobicContact CG1-CD1 3.63Å; V14-L16 PolarHBondContact O-N 3.42Å; L16-L18 HydrophobicContact CD2-CD1 4.39Å; L16-L18 HydrophobicContact CD2-CG 4.29Å; L16-L18 PolarHBondContact O-N 3.5Å
17	L	33.3	Very low	38.7	Very low	148 Å²	148	96.2 Å²	96.2	78%	0.775	56%	0.56	S	S	*	*			trans	-64.3	84.2	157.8	-88.1	152.5	0	0	0	106.2	S15 C19	S15-L17 PolarHBondContact O-N 3.17Å; L17-C19 PolarHBondContact O-N 3.23Å
18	L	30.9	Very low	41.2	Very low	136 Å²	136	89.5 Å²	89.5	71%	0.712	53%	0.525	S	S	*	.			trans	-64.4	76.9	154.8	-81.4	156.3	0	0	0	106.2	L16 V20	L16-L18 HydrophobicContact CD2-CD1 4.39Å; L16-L18 HydrophobicContact CD2-CG 4.29Å; L16-L18 PolarHBondContact O-N 3.5Å; L18-V20 PolarHBondContact O-N 3.22Å
19	C	26.7	Very low	43.9	Very low	94 Å²	94	86.6 Å²	86.6	64%	0.635	50%	0.502	S	S	*	.			trans	-61.6	89.1	152.9	-81	0	0	0	0	105.2	L17 K21	L17-C19 PolarHBondContact O-N 3.23Å; C19-K21 PolarHBondContact O-N 2.99Å
20	V	28.6	Very low	46.4	Very low	122 Å²	122	82.8 Å²	82.8	74%	0.739	49%	0.49	S	S	*	.			trans	-62.9	85.6	159.4	-177.1	0	0	0	0	104.3	L18 P22	L18-V20 PolarHBondContact O-N 3.22Å; V20-P22 VanDerWaalsContact O-CD 3.27Å; V20-P22 WeakPolarHBondContact O-CD 3.33Å; V20-P22 VanDerWaalsContact O-N 3.13Å
21	K	27.1	Very low	49.1	Very low	186 Å²	186	76.9 Å²	76.9	81%	0.809	46%	0.455	S	S	*	.			trans	-58.6	116.4	169.2	-71.9	-169.1	177.5	-175.5	0	104.5	C19	C19-K21 PolarHBondContact O-N 2.99Å
22	P	29.4	Very low	51.7	Low	74 Å²	74	70.1 Å²	70.1	48%	0.481	42%	0.419	S	S	.	.			trans	-65.8	152.4	-175.5	21	-21.2	0	0	0	108.8	V20 R29	V20-P22 VanDerWaalsContact O-CD 3.27Å; V20-P22 WeakPolarHBondContact O-CD 3.33Å; V20-P22 VanDerWaalsContact O-N 3.13Å; P22-R29 HydrophobicContact CB-CG 3.71Å; P22-R29 HydrophobicContact CG-CG 3.7Å; P22-R29 WeakPolarHBondContact O-CD 3.43Å; P22-R29 PolarHBondContact O-NE 2.84Å; P22-R29 PolarHBondContact O-NH1 3.08Å
23	A	26.9	Very low	54.5	Low	45 Å²	45	69.6 Å²	69.6	37%	0.372	40%	0.404	S	S	.	.			trans	-105.3	130.4	177.9	0	0	0	0	0	107.1	M159	A23-M159 HydrophobicContact CB-CE 3.6Å
24	E	41.8	Very low	57.1	Low	7 Å²	7	65.7 Å²	65.7	3%	0.033	38%	0.38	C	S	.	.			trans	-93.3	-171.9	-179.6	-27.6	-171.2	132.8	0	0	113.9	R29 D157 Y158 M159 F178	E24-R29 HydrophobicContact CB-CB 3.88Å; E24-R29 HydrophobicContact CB-CG 4.36Å; E24-R29 VanDerWaalsContact CB-N 3.28Å; E24-R29 HydrophobicContact CG-CB 3.16Å; E24-R29 HydrophobicContact CG-CG 3.28Å; E24-R29 VanDerWaalsContact CG-NH2 3.28Å; E24-R29 WeakPolarHBondContact OE1-CB 3.4Å; E24-R29 WeakPolarHBondContact OE1-CD 3.26Å; E24-R29 WeakPolarHBondContact OE1-CG 3.31Å; E24-R29 IonicContact OE1-CZ 3.64Å; E24-R29 IonicContact OE1-NE 3.68Å; E24-R29 PolarHBondContact OE1-NE 3.39Å; E24-R29 IonicContact OE1-NH2 3.35Å; E24-R29 IonicContact OE2-CZ 3.22Å; E24-R29 VanDerWaalsContact OE2-CZ 3.28Å; E24-R29 IonicContact OE2-NE 3.2Å; E24-R29 PolarHBondContact OE2-NE 2.95Å; E24-R29 IonicContact OE2-NH2 3.75Å; E24-R29 PolarHBondContact OE2-NH2 2.93Å; E24-D157 VanDerWaalsContact OE2-CA 3.26Å; E24-D157 WeakPolarHBondContact OE2-CA 3.15Å; E24-D157 PolarHBondContact OE2-N 2.84Å; E24-Y158 PolarHBondContact OE2-N 3.2Å; E24-Y158 VanDerWaalsContact OE2-N 3.15Å; E24-M159 VanDerWaalsContact CA-SD 3.6Å; E24-M159 HydrophobicContact CB-CB 3.57Å; E24-M159 HydrophobicContact CB-CG 3.39Å; E24-M159 HydrophobicContact CB-SD 4.33Å; E24-M159 HydrophobicContact CG-CG 3.91Å; E24-M159 VanDerWaalsContact N-CG 3.34Å; E24-M159 PolarHBondContact N-SD 3.16Å; E24-M159 WeakPolarHBondContact O-CB 3.25Å; E24-M159 WeakPolarHBondContact O-CG 3.11Å; E24-F178 WeakPolarHBondContact O-CB 3.48Å
25	A	30.8	Very low	59.6	Low	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.379	C	S	.	.			trans	-144.9	-164.7	163.2	0	0	0	0	0	112.3	F27 C32 Y158 M159 F178	A25-F27 CarbonylContact C-O 3.4Å; A25-F27 WeakPolarHBondContact CA-O 3.26Å; A25-F27 HydrophobicContact CB-CB 4.28Å; A25-F27 HydrophobicContact CB-CD2 4.14Å; A25-F27 PolarHBondContact N-O 3.01Å; A25-F27 CarbonylContact O-C 3.5Å; A25-F27 VanDerWaalsContact O-C 3.3Å; A25-F27 PolarHBondContact O-N 3.27Å; A25-C32 HydrophobicContact CB-CB 3.85Å; A25-C32 WeakPolarHBondContact CB-SG 3.44Å; A25-C32 PolarHBondContact N-SG 3.43Å; A25-Y158 CarbonylContact O-C 3.57Å; A25-Y158 WeakPolarHBondContact O-CA 3.25Å; A25-M159 VanDerWaalsContact C-CA 3.48Å; A25-M159 CarbonylContact C-O 3.34Å; A25-M159 VanDerWaalsContact CA-C 3.46Å; A25-M159 CarbonylContact O-C 3.54Å; A25-M159 VanDerWaalsContact O-C 3.23Å; A25-M159 WeakPolarHBondContact O-CA 3.23Å; A25-M159 PolarHBondContact O-N 3.03Å; A25-F178 HydrophobicContact CB-CB 4.06Å; A25-F178 HydrophobicContact CB-CD1 2.89Å; A25-F178 HydrophobicContact CB-CD2 4.26Å; A25-F178 HydrophobicContact CB-CE1 3.13Å; A25-F178 HydrophobicContact CB-CE2 4.49Å; A25-F178 HydrophobicContact CB-CG 3.48Å; A25-F178 VanDerWaalsContact CB-CG 3.48Å; A25-F178 HydrophobicContact CB-CZ 3.97Å
26	Q	71.6	Confident	62.3	Low	2 Å²	2	62.8 Å²	62.8	1%	0.009	35%	0.349	C	S	.	.	S	Bend	trans	-48.4	-21.8	160.6	173.1	60.5	29.4	0	0	111.6	W88 Y158 M159 W189 P440	Q26-W88 HydrophobicContact CG-CH2 4.32Å; Q26-Y158 VanDerWaalsContact O-CD1 3.32Å; Q26-Y158 WeakPolarHBondContact O-CD1 3.48Å; Q26-M159 WeakPolarHBondContact CA-O 3.43Å; Q26-M159 PolarHBondContact N-O 3.39Å; Q26-W189 HydrophobicContact CB-CH2 3.97Å; Q26-W189 HydrophobicContact CB-CZ3 3.76Å; Q26-W189 VanDerWaalsContact CD-CZ3 3.49Å; Q26-W189 HydrophobicContact CG-CH2 4.15Å; Q26-W189 HydrophobicContact CG-CZ3 3.62Å; Q26-P440 HydrophobicContact CG-CB 4.08Å; Q26-P440 HydrophobicContact CG-CG 4.46Å; Q26-P440 PolarHBondContact NE2-O 3.39Å
27	F	92.1	Very high	65.1	Low	1 Å²	1	57.6 Å²	57.6	0%	0.004	32%	0.322	C	S	.	.	S	Bend	trans	-99.6	153.3	168.7	-47.7	-73.7	0	0	0	111.3	A25 C31 C32 W88 P89 F92 F93 F442	A25-F27 CarbonylContact C-O 3.4Å; A25-F27 WeakPolarHBondContact CA-O 3.26Å; A25-F27 HydrophobicContact CB-CB 4.28Å; A25-F27 HydrophobicContact CB-CD2 4.14Å; A25-F27 PolarHBondContact N-O 3.01Å; A25-F27 CarbonylContact O-C 3.5Å; A25-F27 VanDerWaalsContact O-C 3.3Å; A25-F27 PolarHBondContact O-N 3.27Å; F27-C31 HydrophobicContact CB-CB 4.42Å; F27-C32 PolarHBondContact O-SG 2.97Å; F27-W88 AromaticContact CE1-CH2 3.62Å; F27-W88 HydrophobicContact CE1-CH2 3.62Å; F27-W88 AromaticContact CE1-CZ2 3.66Å; F27-W88 HydrophobicContact CE1-CZ2 3.66Å; F27-W88 HydrophobicContact CE2-CH2 4.45Å; F27-W88 AromaticContact CZ-CH2 3.39Å; F27-W88 HydrophobicContact CZ-CH2 3.39Å; F27-W88 AromaticContact CZ-CZ2 3.96Å; F27-W88 HydrophobicContact CZ-CZ2 3.96Å; F27-W88 HydrophobicContact CZ-CZ3 4.11Å; F27-P89 HydrophobicContact CE1-CB 4.05Å; F27-F92 HydrophobicContact CD2-CD1 4.47Å; F27-F92 HydrophobicContact CE1-CB 4.31Å; F27-F92 HydrophobicContact CE1-CG 4.43Å; F27-F92 HydrophobicContact CE2-CB 3.86Å; F27-F92 AromaticContact CE2-CD1 3.38Å; F27-F92 HydrophobicContact CE2-CD1 3.38Å; F27-F92 HydrophobicContact CE2-CD2 4.06Å; F27-F92 AromaticContact CE2-CE1 3.85Å; F27-F92 HydrophobicContact CE2-CE1 3.85Å; F27-F92 HydrophobicContact CE2-CE2 4.47Å; F27-F92 AromaticContact CE2-CG 3.51Å; F27-F92 HydrophobicContact CE2-CG 3.51Å; F27-F92 HydrophobicContact CE2-CZ 4.38Å; F27-F92 HydrophobicContact CZ-CB 3.6Å; F27-F92 AromaticContact CZ-CD1 3.74Å; F27-F92 HydrophobicContact CZ-CD1 3.74Å; F27-F92 AromaticContact CZ-CD2 3.52Å; F27-F92 HydrophobicContact CZ-CD2 3.52Å; F27-F92 HydrophobicContact CZ-CE1 4.25Å; F27-F92 HydrophobicContact CZ-CE2 4.07Å; F27-F92 AromaticContact CZ-CG 3.34Å; F27-F92 HydrophobicContact CZ-CG 3.34Å; F27-F92 HydrophobicContact CZ-CZ 4.42Å; F27-F93 HydrophobicContact CB-CE2 3.8Å; F27-F93 HydrophobicContact CB-CZ 4.33Å; F27-F93 AromaticContact CD1-CD2 3.84Å; F27-F93 HydrophobicContact CD1-CD2 3.84Å; F27-F93 AromaticContact CD1-CE2 3.58Å; F27-F93 HydrophobicContact CD1-CE2 3.58Å; F27-F93 AromaticContact CD2-CE2 3.61Å; F27-F93 HydrophobicContact CD2-CE2 3.61Å; F27-F93 HydrophobicContact CD2-CZ 4.43Å; F27-F93 AromaticContact CE1-CD2 3.94Å; F27-F93 HydrophobicContact CE1-CD2 3.94Å; F27-F93 AromaticContact CE1-CE2 3.96Å; F27-F93 HydrophobicContact CE1-CE2 3.96Å; F27-F93 AromaticContact CE2-CE2 4Å; F27-F93 HydrophobicContact CE2-CE2 4Å; F27-F93 HydrophobicContact CG-CD2 4.12Å; F27-F93 AromaticContact CG-CE2 3.37Å; F27-F93 HydrophobicContact CG-CE2 3.37Å; F27-F93 HydrophobicContact CG-CZ 4.28Å; F27-F93 HydrophobicContact CZ-CD2 4.31Å; F27-F93 HydrophobicContact CZ-CE2 4.15Å; F27-F442 HydrophobicContact CD1-CB 4.31Å; F27-F442 AromaticContact CD1-CD2 3.61Å; F27-F442 HydrophobicContact CD1-CD2 3.61Å; F27-F442 HydrophobicContact CD1-CE2 4.08Å; F27-F442 AromaticContact CD1-CG 3.94Å; F27-F442 HydrophobicContact CD1-CG 3.94Å; F27-F442 AromaticContact CE1-CD2 3.95Å; F27-F442 HydrophobicContact CE1-CD2 3.95Å; F27-F442 HydrophobicContact CE1-CE2 4.48Å
28	P	92.6	Very high	67.9	Low	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.314	C	S	.	.			trans	-50.8	150.6	-177	-25.3	30.7	0	0	0	114.8	A30 C31 C32 Y106 D157 Y158 F442	P28-A30 PolarHBondContact O-N 2.87Å; P28-C31 WeakPolarHBondContact O-CA 3.33Å; P28-C31 WeakPolarHBondContact O-CB 3.24Å; P28-C31 PolarHBondContact O-N 3.26Å; P28-C32 PolarHBondContact O-SG 3.13Å; P28-Y106 HydrophobicContact CB-CD1 4.46Å; P28-Y106 HydrophobicContact CB-CD2 3.69Å; P28-Y106 HydrophobicContact CB-CE2 3.97Å; P28-Y106 HydrophobicContact CB-CG 3.97Å; P28-Y106 VanDerWaalsContact CG-CB 3.44Å; P28-Y106 HydrophobicContact CG-CD1 4.1Å; P28-Y106 HydrophobicContact CG-CD2 3.55Å; P28-Y106 HydrophobicContact CG-CE2 4.33Å; P28-Y106 HydrophobicContact CG-CG 3.43Å; P28-Y106 VanDerWaalsContact CG-CG 3.43Å; P28-D157 CarbonylContact C-O 3.58Å; P28-D157 WeakPolarHBondContact CA-O 3.37Å; P28-Y158 HydrophobicContact CG-CE1 4.19Å; P28-F442 VanDerWaalsContact CD-CD1 3.41Å; P28-F442 HydrophobicContact CG-CD1 3.87Å; P28-F442 HydrophobicContact CG-CE1 3.84Å
29	R	91.9	Very high	71	Confident	56 Å²	56	54.9 Å²	54.9	21%	0.211	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-34.7	-53.7	174.8	-149.7	57	66.7	-143	-25	112.2	P22 E24 C31 C32 D157 N180	P22-R29 HydrophobicContact CB-CG 3.71Å; P22-R29 HydrophobicContact CG-CG 3.7Å; P22-R29 WeakPolarHBondContact O-CD 3.43Å; P22-R29 PolarHBondContact O-NE 2.84Å; P22-R29 PolarHBondContact O-NH1 3.08Å; E24-R29 HydrophobicContact CB-CB 3.88Å; E24-R29 HydrophobicContact CB-CG 4.36Å; E24-R29 VanDerWaalsContact CB-N 3.28Å; E24-R29 HydrophobicContact CG-CB 3.16Å; E24-R29 HydrophobicContact CG-CG 3.28Å; E24-R29 VanDerWaalsContact CG-NH2 3.28Å; E24-R29 WeakPolarHBondContact OE1-CB 3.4Å; E24-R29 WeakPolarHBondContact OE1-CD 3.26Å; E24-R29 WeakPolarHBondContact OE1-CG 3.31Å; E24-R29 IonicContact OE1-CZ 3.64Å; E24-R29 IonicContact OE1-NE 3.68Å; E24-R29 PolarHBondContact OE1-NE 3.39Å; E24-R29 IonicContact OE1-NH2 3.35Å; E24-R29 IonicContact OE2-CZ 3.22Å; E24-R29 VanDerWaalsContact OE2-CZ 3.28Å; E24-R29 IonicContact OE2-NE 3.2Å; E24-R29 PolarHBondContact OE2-NE 2.95Å; E24-R29 IonicContact OE2-NH2 3.75Å; E24-R29 PolarHBondContact OE2-NH2 2.93Å; R29-C31 PolarHBondContact O-N 2.93Å; R29-C31 VanDerWaalsContact O-N 3.14Å; R29-C32 PolarHBondContact O-N 2.74Å; R29-C32 VanDerWaalsContact O-N 3.12Å; R29-D157 PolarHBondContact N-O 3.03Å; R29-N180 PolarHBondContact NH1-OD1 2.63Å; R29-N180 PolarHBondContact NH2-OD1 3.03Å
30	A	92	Very high	74.2	Confident	58 Å²	58	54 Å²	54	48%	0.479	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-67.2	-20.6	-166.9	0	0	0	0	0	111.4	P28 P44	P28-A30 PolarHBondContact O-N 2.87Å; A30-P44 HydrophobicContact CB-CB 3.66Å; A30-P44 HydrophobicContact CB-CG 4.46Å
31	C	93.5	Very high	77.4	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.02	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-95.7	-11.8	-178.9	-56.9	0	0	0	0	113.4	F27 P28 R29 T33 C42 F93	F27-C31 HydrophobicContact CB-CB 4.42Å; P28-C31 WeakPolarHBondContact O-CA 3.33Å; P28-C31 WeakPolarHBondContact O-CB 3.24Å; P28-C31 PolarHBondContact O-N 3.26Å; R29-C31 PolarHBondContact O-N 2.93Å; R29-C31 VanDerWaalsContact O-N 3.14Å; C31-T33 PolarHBondContact O-N 2.95Å; C31-T33 VanDerWaalsContact O-N 3.15Å; C31-C42 HydrophobicContact CB-CB 3.63Å; C31-C42 WeakPolarHBondContact CB-SG 3.35Å; C31-C42 WeakPolarHBondContact SG-CA 3.19Å; C31-C42 WeakPolarHBondContact SG-CB 3.29Å; C31-C42 CovalentContact SG-SG 2.02Å; C31-C42 PolarHBondContact SG-SG 3.45Å; C31-F93 HydrophobicContact CB-CE1 4.15Å; C31-F93 HydrophobicContact CB-CZ 3.85Å
32	C	93.4	Very high	80.7	Confident	3 Å²	3	43 Å²	43	2%	0.02	23%	0.231	C	C	.	.	S	Bend	trans	-98.1	41.3	-168.2	-57	0	0	0	0	110.9	A25 F27 P28 R29 P176 F178	A25-C32 HydrophobicContact CB-CB 3.85Å; A25-C32 WeakPolarHBondContact CB-SG 3.44Å; A25-C32 PolarHBondContact N-SG 3.43Å; F27-C32 PolarHBondContact O-SG 2.97Å; P28-C32 PolarHBondContact O-SG 3.13Å; R29-C32 PolarHBondContact O-N 2.74Å; R29-C32 VanDerWaalsContact O-N 3.12Å; C32-P176 WeakPolarHBondContact O-CB 3.36Å; C32-F178 HydrophobicContact CB-CD2 4.16Å; C32-F178 HydrophobicContact CB-CE2 4.36Å; C32-F178 HydrophobicContact CB-CG 4.48Å
33	T	93.1	Very high	83.9	Confident	50 Å²	50	40.3 Å²	40.3	31%	0.307	21%	0.213	S	C	.	.	S	Bend	trans	-113.3	160.5	-177.7	65.6	0	0	0	0	108.8	C31 E35 G36 I37	C31-T33 PolarHBondContact O-N 2.95Å; C31-T33 VanDerWaalsContact O-N 3.15Å; T33-E35 PolarHBondContact O-N 3.07Å; T33-G36 PolarHBondContact O-N 2.88Å; T33-G36 PolarHBondContact OG1-N 3.21Å; T33-I37 VanDerWaalsContact O-CD1 3.31Å; T33-I37 WeakPolarHBondContact O-CD1 3.47Å; T33-I37 VanDerWaalsContact O-CG1 3.32Å; T33-I37 WeakPolarHBondContact O-CG1 3.12Å; T33-I37 PolarHBondContact O-N 3.08Å
34	V	93.9	Very high	87.2	Confident	40 Å²	40	38.8 Å²	38.8	24%	0.242	20%	0.2	C	C	.	.	H	α-helix	trans	-54.4	-40.8	174.6	179.7	0	0	0	0	110.8	R38 L169 T174 P176	V34-R38 HydrophobicContact CG1-CG 4.4Å; V34-R38 VanDerWaalsContact O-CB 3.31Å; V34-R38 WeakPolarHBondContact O-CB 3.31Å; V34-R38 VanDerWaalsContact O-CG 3.24Å; V34-R38 WeakPolarHBondContact O-CG 3.22Å; V34-R38 PolarHBondContact O-N 2.81Å; V34-L169 HydrophobicContact CB-CD2 4.46Å; V34-L169 HydrophobicContact CG2-CD2 4.26Å; V34-T174 VanDerWaalsContact CG2-O 3.25Å; V34-T174 WeakPolarHBondContact CG2-O 3.39Å; V34-P176 HydrophobicContact CG2-CG 3.89Å
35	E	93.1	Very high	89.8	Confident	155 Å²	155	39.8 Å²	39.8	72%	0.724	21%	0.209	S	C	*	.	H	α-helix	trans	-66.9	-48.1	178.8	-175.3	176.6	-175.3	0	0	112.4	T33 I37 R38 S39	T33-E35 PolarHBondContact O-N 3.07Å; E35-I37 VanDerWaalsContact C-N 3.32Å; E35-I37 PolarHBondContact O-N 2.99Å; E35-R38 PolarHBondContact O-N 3.13Å; E35-S39 VanDerWaalsContact O-CB 3.24Å; E35-S39 WeakPolarHBondContact O-CB 3.47Å; E35-S39 PolarHBondContact O-N 3.17Å; E35-S39 PolarHBondContact O-OG 2.98Å
36	G	91.8	Very high	92.8	Very high	6 Å²	6	41.5 Å²	41.5	6%	0.062	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-43	179.3	0	0	0	0	0	112.4	T33 S39 K40 Q41 F93	T33-G36 PolarHBondContact O-N 2.88Å; T33-G36 PolarHBondContact OG1-N 3.21Å; G36-S39 PolarHBondContact O-OG 2.89Å; G36-S39 VanDerWaalsContact O-OG 3.11Å; G36-K40 WeakPolarHBondContact O-CA 3.38Å; G36-K40 PolarHBondContact O-N 3.41Å; G36-Q41 PolarHBondContact O-N 3.17Å; G36-F93 WeakPolarHBondContact O-CE1 3.35Å
37	I	92.4	Very high	93.7	Very high	23 Å²	23	44.4 Å²	44.4	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-72.1	-41.5	-178.7	-63	157.5	0	0	0	111.4	T33 E35 K40 L168 L169 P176 F178	T33-I37 VanDerWaalsContact O-CD1 3.31Å; T33-I37 WeakPolarHBondContact O-CD1 3.47Å; T33-I37 VanDerWaalsContact O-CG1 3.32Å; T33-I37 WeakPolarHBondContact O-CG1 3.12Å; T33-I37 PolarHBondContact O-N 3.08Å; E35-I37 VanDerWaalsContact C-N 3.32Å; E35-I37 PolarHBondContact O-N 2.99Å; I37-K40 PolarHBondContact O-N 2.83Å; I37-L168 HydrophobicContact CG2-CB 4.42Å; I37-L169 HydrophobicContact CB-CD2 4.08Å; I37-L169 HydrophobicContact CB-CG 4.47Å; I37-L169 HydrophobicContact CD1-CD2 3.59Å; I37-L169 HydrophobicContact CG1-CD2 4.46Å; I37-L169 HydrophobicContact CG2-CD1 4.1Å; I37-L169 HydrophobicContact CG2-CD2 4.05Å; I37-L169 HydrophobicContact CG2-CG 3.94Å; I37-P176 HydrophobicContact CD1-CB 4.13Å; I37-P176 HydrophobicContact CD1-CG 4.43Å; I37-F178 HydrophobicContact CD1-CE2 3.48Å; I37-F178 VanDerWaalsContact CD1-CE2 3.48Å; I37-F178 HydrophobicContact CD1-CZ 3.97Å; I37-F178 HydrophobicContact CG1-CE2 4.5Å
38	R	93.2	Very high	93.7	Very high	161 Å²	161	50.3 Å²	50.3	61%	0.608	29%	0.29	S	S	*	.	H	α-helix	trans	-69.6	-41.4	178.1	-74.6	-179.1	179.8	-176.5	-0.1	112.4	V34 E35 K40 L169 G173	V34-R38 HydrophobicContact CG1-CG 4.4Å; V34-R38 VanDerWaalsContact O-CB 3.31Å; V34-R38 WeakPolarHBondContact O-CB 3.31Å; V34-R38 VanDerWaalsContact O-CG 3.24Å; V34-R38 WeakPolarHBondContact O-CG 3.22Å; V34-R38 PolarHBondContact O-N 2.81Å; E35-R38 PolarHBondContact O-N 3.13Å; R38-K40 PolarHBondContact O-N 3.35Å; R38-L169 HydrophobicContact CG-CD1 3.84Å; R38-G173 PolarHBondContact NH2-O 2.98Å
39	S	94.5	Very high	93.7	Very high	65 Å²	65	54 Å²	54	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-72.1	-18.3	177.1	62.1	0	0	0	0	112.8	E35 G36 Q41	E35-S39 VanDerWaalsContact O-CB 3.24Å; E35-S39 WeakPolarHBondContact O-CB 3.47Å; E35-S39 PolarHBondContact O-N 3.17Å; E35-S39 PolarHBondContact O-OG 2.98Å; G36-S39 PolarHBondContact O-OG 2.89Å; G36-S39 VanDerWaalsContact O-OG 3.11Å; S39-Q41 PolarHBondContact O-N 3.46Å; S39-Q41 PolarHBondContact OG-N 2.03Å
40	K	95.1	Very high	93.7	Very high	76 Å²	76	56.4 Å²	56.4	33%	0.33	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	34.7	-170	-60.9	-164.1	166.1	-153.1	0	112	G36 I37 R38 K91 F92 F93 N94 Q95	G36-K40 WeakPolarHBondContact O-CA 3.38Å; G36-K40 PolarHBondContact O-N 3.41Å; I37-K40 PolarHBondContact O-N 2.83Å; R38-K40 PolarHBondContact O-N 3.35Å; K40-K91 PolarHBondContact NZ-O 2.02Å; K40-K91 VanDerWaalsContact NZ-O 3.08Å; K40-F92 WeakPolarHBondContact CG-O 3.29Å; K40-F93 CarbonylContact O-C 3.54Å; K40-F93 WeakPolarHBondContact O-CA 3.41Å; K40-N94 HydrophobicContact CB-CB 4.36Å; K40-N94 PolarHBondContact O-N 3.09Å; K40-Q95 PolarHBondContact O-N 2.89Å
41	Q	96	Very high	93.7	Very high	77 Å²	77	56.6 Å²	56.6	36%	0.36	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.4	178.8	-178.6	178.3	-15.5	0	0	110.1	G36 S39 C43 C63 Q95	G36-Q41 PolarHBondContact O-N 3.17Å; S39-Q41 PolarHBondContact O-N 3.46Å; S39-Q41 PolarHBondContact OG-N 2.03Å; Q41-C43 HydrophobicContact CG-CB 4.12Å; Q41-C63 PolarHBondContact NE2-SG 3.27Å; Q41-Q95 HydrophobicContact CB-CB 4.34Å; Q41-Q95 HydrophobicContact CG-CB 4.04Å
42	C	96.1	Very high	93.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	82.8	172.7	179.3	0	0	0	0	109.6	C31 F93 Q95 T96 F442	C31-C42 HydrophobicContact CB-CB 3.63Å; C31-C42 WeakPolarHBondContact CB-SG 3.35Å; C31-C42 WeakPolarHBondContact SG-CA 3.19Å; C31-C42 WeakPolarHBondContact SG-CB 3.29Å; C31-C42 CovalentContact SG-SG 2.02Å; C31-C42 PolarHBondContact SG-SG 3.45Å; C42-F93 HydrophobicContact CB-CB 4.35Å; C42-F93 HydrophobicContact CB-CD1 3.53Å; C42-F93 HydrophobicContact CB-CD2 4.05Å; C42-F93 HydrophobicContact CB-CE1 3.74Å; C42-F93 HydrophobicContact CB-CE2 4.26Å; C42-F93 HydrophobicContact CB-CG 3.69Å; C42-F93 HydrophobicContact CB-CZ 4.11Å; C42-Q95 PolarHBondContact N-O 3.37Å; C42-T96 WeakPolarHBondContact O-CA 3.37Å; C42-F442 HydrophobicContact CB-CE1 4.47Å; C42-F442 HydrophobicContact CB-CZ 3.79Å; C42-F442 WeakPolarHBondContact SG-CE1 3.48Å; C42-F442 WeakPolarHBondContact SG-CZ 3.45Å
43	C	96.6	Very high	94	Very high	17 Å²	17	59.4 Å²	59.4	12%	0.115	35%	0.35	C	S	.	.			trans	-132.4	70.4	-178.4	-68.9	0	0	0	0	110.8	Q41 V53 C63	Q41-C43 HydrophobicContact CG-CB 4.12Å; C43-V53 HydrophobicContact CB-CG1 3.8Å; C43-V53 WeakPolarHBondContact O-CG1 3.46Å; C43-C63 HydrophobicContact CB-CB 3.57Å; C43-C63 WeakPolarHBondContact CB-SG 3.01Å; C43-C63 VanDerWaalsContact SG-CA 3.55Å; C43-C63 WeakPolarHBondContact SG-CB 3.45Å; C43-C63 CovalentContact SG-SG 2.03Å; C43-C63 PolarHBondContact SG-SG 2.72Å
44	P	95.9	Very high	94.2	Very high	14 Å²	14	57 Å²	57	9%	0.091	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-65.9	152.8	-179.4	23	-29.1	0	0	0	112.5	A30 C54 Y106 N107	A30-P44 HydrophobicContact CB-CB 3.66Å; A30-P44 HydrophobicContact CB-CG 4.46Å; P44-C54 PolarHBondContact O-N 2.88Å; P44-Y106 HydrophobicContact CB-CD2 4.5Å; P44-Y106 HydrophobicContact CB-CE2 4.39Å; P44-Y106 HydrophobicContact CG-CD2 3.45Å; P44-Y106 VanDerWaalsContact CG-CD2 3.45Å; P44-Y106 HydrophobicContact CG-CE2 3.79Å; P44-N107 HydrophobicContact CB-CB 4.48Å; P44-N107 HydrophobicContact CG-CB 4.03Å
45	A	95.8	Very high	94.3	Very high	28 Å²	28	55.1 Å²	55.1	23%	0.231	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-72.2	148.9	174	0	0	0	0	0	111.7	N49 N52	A45-N49 WeakPolarHBondContact CB-O 3.43Å; A45-N52 CarbonylContact C-O 3.46Å; A45-N52 WeakPolarHBondContact CA-O 3.04Å
46	L	94.6	Very high	94.5	Very high	35 Å²	35	50.2 Å²	50.2	18%	0.183	31%	0.307	C	S	.	.	S	Bend	trans	-88.5	116.9	170.2	178.2	65.2	0	0	0	109.7	N52 G109	L46-N52 PolarHBondContact N-O 2.03Å; L46-N52 PolarHBondContact O-ND2 2.94Å; L46-G109 VanDerWaalsContact CD1-CA 3.44Å
47	G	90.9	Very high	94.7	Very high	63 Å²	63	55.4 Å²	55.4	65%	0.649	33%	0.333	S	S	*	.	S	Bend	trans	80.7	-159.8	-177.1	0	0	0	0	0	112.8
48	S	91.1	Very high	94.7	Very high	126 Å²	126	57.3 Å²	57.3	88%	0.881	35%	0.348	S	S	*	.	S	Bend	trans	-82	-15.5	-174.6	54.9	0	0	0	0	114.6	P50	S48-P50 VanDerWaalsContact O-CD 3.24Å; S48-P50 WeakPolarHBondContact O-CD 3.33Å
49	N	93.1	Very high	94.8	Very high	77 Å²	77	52 Å²	52	41%	0.412	34%	0.344	S	S	.	.			trans	-83.1	111.2	-177.9	-178.1	-6.3	0	0	0	110.6	A45 A51 N52 L57	A45-N49 WeakPolarHBondContact CB-O 3.43Å; N49-A51 PolarHBondContact O-N 3.26Å; N49-A51 VanDerWaalsContact O-N 3.13Å; N49-A51 WeakPolarHBondContact OD1-CB 3.02Å; N49-A51 PolarHBondContact OD1-N 2.05Å; N49-N52 HydrophobicContact CB-CB 4.33Å; N49-N52 WeakPolarHBondContact O-CB 3.3Å; N49-N52 PolarHBondContact O-N 2.03Å; N49-L57 WeakPolarHBondContact ND2-CD1 3Å
50	P	91.5	Very high	94.9	Very high	107 Å²	107	50.9 Å²	50.9	70%	0.695	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.6	-177.7	-22	35.1	0	0	0	114	S48 N52	S48-P50 VanDerWaalsContact O-CD 3.24Å; S48-P50 WeakPolarHBondContact O-CD 3.33Å; P50-N52 VanDerWaalsContact C-N 3.26Å; P50-N52 PolarHBondContact O-N 3.31Å
51	A	93.1	Very high	95	Very high	62 Å²	62	47.5 Å²	47.5	51%	0.512	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.5	176.9	0	0	0	0	0	112.8	N49 V53 L57	N49-A51 PolarHBondContact O-N 3.26Å; N49-A51 VanDerWaalsContact O-N 3.13Å; N49-A51 WeakPolarHBondContact OD1-CB 3.02Å; N49-A51 PolarHBondContact OD1-N 2.05Å; A51-V53 PolarHBondContact O-N 3.36Å; A51-L57 HydrophobicContact CB-CD1 4.42Å
52	N	95.5	Very high	95	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.102	31%	0.311	C	S	.	.			trans	-81.7	46.1	180	-163.1	24.1	0	0	0	112.7	A45 L46 N49 P50 C54 G55 S56 L57	A45-N52 CarbonylContact C-O 3.46Å; A45-N52 WeakPolarHBondContact CA-O 3.04Å; L46-N52 PolarHBondContact N-O 2.03Å; L46-N52 PolarHBondContact O-ND2 2.94Å; N49-N52 HydrophobicContact CB-CB 4.33Å; N49-N52 WeakPolarHBondContact O-CB 3.3Å; N49-N52 PolarHBondContact O-N 2.03Å; P50-N52 VanDerWaalsContact C-N 3.26Å; P50-N52 PolarHBondContact O-N 3.31Å; N52-C54 PolarHBondContact O-N 3.28Å; N52-G55 PolarHBondContact O-N 3.42Å; N52-G55 VanDerWaalsContact OD1-CA 3.26Å; N52-G55 WeakPolarHBondContact OD1-CA 3.32Å; N52-S56 PolarHBondContact OD1-N 3.06Å; N52-L57 HydrophobicContact CB-CD1 3.94Å; N52-L57 HydrophobicContact CB-CG 4.21Å; N52-L57 WeakPolarHBondContact OD1-CB 3.28Å; N52-L57 PolarHBondContact OD1-N 3.06Å
53	V	96.6	Very high	95.1	Very high	46 Å²	46	47.2 Å²	47.2	28%	0.279	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-55.1	124.3	179.7	172.9	0	0	0	0	109.6	C43 A51 G55 S56 C63	C43-V53 HydrophobicContact CB-CG1 3.8Å; C43-V53 WeakPolarHBondContact O-CG1 3.46Å; A51-V53 PolarHBondContact O-N 3.36Å; V53-G55 PolarHBondContact O-N 3.02Å; V53-G55 VanDerWaalsContact O-N 3.08Å; V53-S56 VanDerWaalsContact O-CB 3.23Å; V53-S56 WeakPolarHBondContact O-CB 3.06Å; V53-S56 PolarHBondContact O-N 3.36Å; V53-S56 PolarHBondContact O-OG 3Å; V53-C63 HydrophobicContact CG1-CB 3.9Å
54	C	96.6	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	26.1	-177.8	-52.3	0	0	0	0	114.6	P44 N52 S56 G61 C97 N107 C108	P44-C54 PolarHBondContact O-N 2.88Å; N52-C54 PolarHBondContact O-N 3.28Å; C54-S56 VanDerWaalsContact C-N 3.29Å; C54-S56 PolarHBondContact O-N 3.36Å; C54-G61 CarbonylContact O-C 2.95Å; C54-G61 VanDerWaalsContact O-CA 3.28Å; C54-G61 WeakPolarHBondContact O-CA 3.32Å; C54-G61 PolarHBondContact O-N 3.28Å; C54-C97 WeakPolarHBondContact CA-SG 3.44Å; C54-C97 HydrophobicContact CB-CB 3.61Å; C54-C97 WeakPolarHBondContact CB-SG 3.02Å; C54-C97 WeakPolarHBondContact SG-CA 3.47Å; C54-C97 WeakPolarHBondContact SG-CB 3.2Å; C54-C97 CovalentContact SG-SG 2.03Å; C54-C97 PolarHBondContact SG-SG 2.83Å; C54-N107 CarbonylContact C-O 3.53Å; C54-C108 WeakPolarHBondContact O-CB 3.47Å
55	G	96.4	Very high	95	Very high	0 Å²	0	56 Å²	56	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	23.6	-177.1	0	0	0	0	0	114.4	N52 V53 L57 S58 G59 R60	N52-G55 PolarHBondContact O-N 3.42Å; N52-G55 VanDerWaalsContact OD1-CA 3.26Å; N52-G55 WeakPolarHBondContact OD1-CA 3.32Å; V53-G55 PolarHBondContact O-N 3.02Å; V53-G55 VanDerWaalsContact O-N 3.08Å; G55-L57 PolarHBondContact O-N 3.44Å; G55-S58 CarbonylContact O-C 3.47Å; G55-S58 PolarHBondContact O-N 2.8Å; G55-S58 VanDerWaalsContact O-N 3.08Å; G55-S58 PolarHBondContact O-OG 2.98Å; G55-G59 PolarHBondContact O-N 2.98Å; G55-G59 VanDerWaalsContact O-N 3.16Å; G55-R60 PolarHBondContact O-N 3.42Å
56	S	97.1	Very high	94.8	Very high	52 Å²	52	56 Å²	56	36%	0.364	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-59.2	-36.4	-177.3	51.2	0	0	0	0	114.9	N52 V53 C54 S58 G59 G61	N52-S56 PolarHBondContact OD1-N 3.06Å; V53-S56 VanDerWaalsContact O-CB 3.23Å; V53-S56 WeakPolarHBondContact O-CB 3.06Å; V53-S56 PolarHBondContact O-N 3.36Å; V53-S56 PolarHBondContact O-OG 3Å; C54-S56 VanDerWaalsContact C-N 3.29Å; C54-S56 PolarHBondContact O-N 3.36Å; S56-S58 PolarHBondContact O-N 3.18Å; S56-G59 PolarHBondContact O-N 2.99Å; S56-G59 VanDerWaalsContact O-N 3.12Å; S56-G61 VanDerWaalsContact CA-O 3.26Å; S56-G61 WeakPolarHBondContact CA-O 3.03Å
57	L	95.9	Very high	94.6	Very high	116 Å²	116	60.8 Å²	60.8	61%	0.607	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-68	-23.9	177.3	-59.7	179.4	0	0	0	112.2	N49 A51 N52 G55	N49-L57 WeakPolarHBondContact ND2-CD1 3Å; A51-L57 HydrophobicContact CB-CD1 4.42Å; N52-L57 HydrophobicContact CB-CD1 3.94Å; N52-L57 HydrophobicContact CB-CG 4.21Å; N52-L57 WeakPolarHBondContact OD1-CB 3.28Å; N52-L57 PolarHBondContact OD1-N 3.06Å; G55-L57 PolarHBondContact O-N 3.44Å
58	S	93.2	Very high	94.7	Very high	62 Å²	62	60.1 Å²	60.1	43%	0.434	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-98.4	5.7	175.9	49.9	0	0	0	0	113.5	G55 S56 R60	G55-S58 CarbonylContact O-C 3.47Å; G55-S58 PolarHBondContact O-N 2.8Å; G55-S58 VanDerWaalsContact O-N 3.08Å; G55-S58 PolarHBondContact O-OG 2.98Å; S56-S58 PolarHBondContact O-N 3.18Å; S58-R60 PolarHBondContact O-N 3.08Å; S58-R60 WeakPolarHBondContact OG-CD 3.46Å
59	G	94.9	Very high	94.7	Very high	50 Å²	50	54.7 Å²	54.7	52%	0.515	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	10.1	-178.3	0	0	0	0	0	115.3	G55 S56 G61 S100	G55-G59 PolarHBondContact O-N 2.98Å; G55-G59 VanDerWaalsContact O-N 3.16Å; S56-G59 PolarHBondContact O-N 2.99Å; S56-G59 VanDerWaalsContact O-N 3.12Å; G59-G61 PolarHBondContact O-N 2.77Å; G59-S100 PolarHBondContact O-OG 2.93Å
60	R	97.1	Very high	94.7	Very high	41 Å²	41	55.4 Å²	55.4	16%	0.155	34%	0.34	C	S	.	.	S	Bend	trans	-76.3	-22.1	-174.8	-69.7	177.5	168	-116.2	2.3	113.9	G55 S58 C99 S100 F103 C108 G109 P118	G55-R60 PolarHBondContact O-N 3.42Å; S58-R60 PolarHBondContact O-N 3.08Å; S58-R60 WeakPolarHBondContact OG-CD 3.46Å; R60-C99 CarbonylContact O-C 3.33Å; R60-C99 WeakPolarHBondContact O-CA 3.3Å; R60-S100 PolarHBondContact O-N 2.89Å; R60-F103 HydrophobicContact CB-CD1 4.43Å; R60-F103 HydrophobicContact CB-CD2 4.03Å; R60-F103 HydrophobicContact CB-CE2 4.4Å; R60-F103 HydrophobicContact CB-CG 4.07Å; R60-F103 HydrophobicContact CG-CD1 3.97Å; R60-F103 HydrophobicContact CG-CD2 3.97Å; R60-F103 HydrophobicContact CG-CE1 3.89Å; R60-F103 HydrophobicContact CG-CE2 3.9Å; R60-F103 HydrophobicContact CG-CG 4.03Å; R60-F103 HydrophobicContact CG-CZ 3.86Å; R60-C108 HydrophobicContact CB-CB 4.05Å; R60-C108 WeakPolarHBondContact CD-O 3.02Å; R60-C108 PolarHBondContact NH1-O 3.09Å; R60-G109 PolarHBondContact NH1-O 3.1Å; R60-P118 PolarHBondContact NH2-O 3.32Å
61	G	96.8	Very high	94.8	Very high	6 Å²	6	52.8 Å²	52.8	6%	0.062	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-176.9	-177.7	0	0	0	0	0	113.1	C54 S56 G59 R98	C54-G61 CarbonylContact O-C 2.95Å; C54-G61 VanDerWaalsContact O-CA 3.28Å; C54-G61 WeakPolarHBondContact O-CA 3.32Å; C54-G61 PolarHBondContact O-N 3.28Å; S56-G61 VanDerWaalsContact CA-O 3.26Å; S56-G61 WeakPolarHBondContact CA-O 3.03Å; G59-G61 PolarHBondContact O-N 2.77Å; G61-R98 CarbonylContact C-O 3.59Å; G61-R98 WeakPolarHBondContact CA-O 3.48Å
62	S	96.9	Very high	94.9	Very high	36 Å²	36	52.3 Å²	52.3	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	151.1	176.8	52.7	0	0	0	0	110.1	R64 R98	S62-R64 PolarHBondContact O-N 3.11Å; S62-R64 PolarHBondContact OG-NE 3.39Å; S62-R98 PolarHBondContact N-O 3.28Å; S62-R98 PolarHBondContact O-N 2.91Å
63	C	97	Very high	94.7	Very high	35 Å²	35	52.6 Å²	52.6	24%	0.236	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.4	171.2	-171.7	0	0	0	0	109.2	Q41 C43 V53	Q41-C63 PolarHBondContact NE2-SG 3.27Å; C43-C63 HydrophobicContact CB-CB 3.57Å; C43-C63 WeakPolarHBondContact CB-SG 3.01Å; C43-C63 VanDerWaalsContact SG-CA 3.55Å; C43-C63 WeakPolarHBondContact SG-CB 3.45Å; C43-C63 CovalentContact SG-SG 2.03Å; C43-C63 PolarHBondContact SG-SG 2.72Å; V53-C63 HydrophobicContact CG1-CB 3.9Å
64	R	95.8	Very high	94.4	Very high	138 Å²	138	50.7 Å²	50.7	52%	0.521	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.1	-177.7	-65.2	-160.9	-177.1	-150.9	-1.1	111.6	S62 Q95 T96 R98	S62-R64 PolarHBondContact O-N 3.11Å; S62-R64 PolarHBondContact OG-NE 3.39Å; R64-Q95 CarbonylContact O-C 3.59Å; R64-Q95 VanDerWaalsContact O-CA 3.23Å; R64-Q95 WeakPolarHBondContact O-CA 3.49Å; R64-T96 PolarHBondContact N-O 2.88Å; R64-T96 PolarHBondContact O-N 3.4Å; R64-R98 HydrophobicContact CB-CB 4.3Å; R64-R98 HydrophobicContact CG-CB 4.34Å
65	A	95.1	Very high	93.8	Very high	76 Å²	76	51.9 Å²	51.9	63%	0.628	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	138.2	169.1	0	0	0	0	0	110.6
66	L	91.4	Very high	93.3	Very high	30 Å²	30	54.7 Å²	54.7	16%	0.157	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.8	140.2	-179.4	-179	67.8	0	0	0	111.1	V68 P89 T90 N94 T96 P444	L66-V68 HydrophobicContact CD2-CG1 3.44Å; L66-V68 VanDerWaalsContact CD2-CG1 3.44Å; L66-V68 HydrophobicContact CG-CG1 3.71Å; L66-P89 VanDerWaalsContact CD2-CD 3.47Å; L66-P89 HydrophobicContact CD2-CG 3.92Å; L66-T90 HydrophobicContact CD2-CG2 3.78Å; L66-N94 WeakPolarHBondContact CB-O 3.37Å; L66-N94 PolarHBondContact N-O 2.63Å; L66-T96 HydrophobicContact CD1-CG2 4.37Å; L66-P444 HydrophobicContact CD1-CB 4.05Å; L66-P444 HydrophobicContact CD1-CG 3.59Å
67	Q	89.8	Confident	93	Very high	135 Å²	135	52.3 Å²	52.3	63%	0.631	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-96.5	129.6	166.1	-65.8	-175.7	-42.7	0	0	108.4	N437	Q67-N437 PolarHBondContact O-ND2 2.65Å
68	V	93.1	Very high	92.7	Very high	48 Å²	48	55.4 Å²	55.4	29%	0.291	32%	0.316	S	S	.	.			trans	-133.8	148.4	178.2	-64	0	0	0	0	109.7	L66 S70 R87 T90	L66-V68 HydrophobicContact CD2-CG1 3.44Å; L66-V68 VanDerWaalsContact CD2-CG1 3.44Å; L66-V68 HydrophobicContact CG-CG1 3.71Å; V68-S70 PolarHBondContact O-N 2.96Å; V68-R87 HydrophobicContact CB-CB 4.4Å; V68-R87 HydrophobicContact CG2-CB 4.29Å; V68-T90 HydrophobicContact CG1-CG2 3.67Å; V68-T90 HydrophobicContact CG2-CG2 4.29Å
69	D	92.4	Very high	92.5	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.064	31%	0.31	C	S	.	.			trans	-61.6	128.1	169.6	-179.1	37.4	0	0	0	110.7	K71 N433 D435 Y436	D69-K71 WeakPolarHBondContact OD1-CB 3.23Å; D69-K71 WeakPolarHBondContact OD1-CD 3.46Å; D69-K71 VanDerWaalsContact OD1-CG 3.29Å; D69-K71 WeakPolarHBondContact OD1-CG 3.3Å; D69-K71 PolarHBondContact OD1-N 3.04Å; D69-N433 WeakPolarHBondContact OD2-CB 3.43Å; D69-N433 PolarHBondContact OD2-ND2 3.32Å; D69-D435 HydrophobicContact CB-CB 4.45Å; D69-Y436 HydrophobicContact CB-CD2 4.06Å
70	S	92.3	Very high	92.3	Very high	92 Å²	92	60.4 Å²	60.4	64%	0.643	31%	0.314	S	S	*	.			trans	-112.4	0	176	64.6	0	0	0	0	112.8	V68	V68-S70 PolarHBondContact O-N 2.96Å
71	K	94.5	Very high	92	Very high	53 Å²	53	64.1 Å²	64.1	23%	0.23	34%	0.337	C	S	.	.	S	Bend	trans	-68.3	156.2	-178.5	-66.8	168.3	-173.2	161.9	0	110.9	D69 D425 E426 D435	D69-K71 WeakPolarHBondContact OD1-CB 3.23Å; D69-K71 WeakPolarHBondContact OD1-CD 3.46Å; D69-K71 VanDerWaalsContact OD1-CG 3.29Å; D69-K71 WeakPolarHBondContact OD1-CG 3.3Å; D69-K71 PolarHBondContact OD1-N 3.04Å; K71-D425 WeakPolarHBondContact CD-O 3.5Å; K71-D425 WeakPolarHBondContact CE-OD2 3.45Å; K71-D425 IonicContact NZ-OD1 3.51Å; K71-D425 PolarHBondContact NZ-OD1 3.25Å; K71-D425 IonicContact NZ-OD2 2.7Å; K71-D425 PolarHBondContact NZ-OD2 2.76Å; K71-E426 HydrophobicContact CB-CB 3.87Å; K71-E426 HydrophobicContact CD-CB 4.32Å; K71-E426 HydrophobicContact CG-CB 4.47Å; K71-D435 IonicContact NZ-OD2 3.28Å; K71-D435 PolarHBondContact NZ-OD2 2.83Å
72	P	93.7	Very high	91.8	Very high	52 Å²	52	66.1 Å²	66.1	34%	0.338	35%	0.348	S	S	.	.			trans	-65.9	155.1	175.8	29.3	-35.5	0	0	0	111.4	E426 M427 N433	P72-E426 WeakPolarHBondContact CD-OE2 3.35Å; P72-E426 HydrophobicContact CG-CB 4.3Å; P72-M427 HydrophobicContact CB-SD 3.86Å; P72-M427 HydrophobicContact CG-CG 4.48Å; P72-M427 HydrophobicContact CG-SD 3.92Å; P72-M427 PolarHBondContact O-N 2.04Å; P72-N433 PolarHBondContact O-ND2 3.42Å; P72-N433 VanDerWaalsContact O-ND2 3.11Å
73	W	92.7	Very high	91.6	Very high	25 Å²	25	64.4 Å²	64.4	10%	0.095	34%	0.336	C	S	.	.			trans	-118.4	153.5	172.7	61.7	84.3	0	0	0	110.6	Y77 R80 A428 I430	W73-Y77 HydrophobicContact CZ2-CD1 4.3Å; W73-Y77 HydrophobicContact CZ2-CE1 4.22Å; W73-Y77 AromaticContact NE1-CD1 3.65Å; W73-Y77 PolarHBondContact NE1-O 2.81Å; W73-R80 HydrophobicContact CH2-CG 4.24Å; W73-R80 HydrophobicContact CZ2-CG 4.13Å; W73-A428 CarbonylContact C-O 3.4Å; W73-A428 VanDerWaalsContact CA-O 3.26Å; W73-A428 WeakPolarHBondContact CA-O 3.25Å; W73-A428 VanDerWaalsContact CB-O 3.31Å; W73-A428 WeakPolarHBondContact CB-O 3.13Å; W73-I430 HydrophobicContact CB-CB 4.21Å; W73-I430 HydrophobicContact CD2-CB 4.21Å; W73-I430 HydrophobicContact CD2-CD1 4.21Å; W73-I430 HydrophobicContact CD2-CG1 4.17Å; W73-I430 HydrophobicContact CG-CB 3.82Å; W73-I430 HydrophobicContact CG-CG1 4.27Å; W73-I430 HydrophobicContact CH2-CD1 4.39Å; W73-I430 HydrophobicContact CZ2-CD1 4.11Å
74	G	88.9	Confident	91.5	Very high	6 Å²	6	62.8 Å²	62.8	6%	0.062	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-98.4	-158.8	174.3	0	0	0	0	0	112.7	M427 A428	G74-M427 VanDerWaalsContact CA-O 3.32Å; G74-M427 WeakPolarHBondContact CA-O 3.43Å; G74-M427 PolarHBondContact N-O 3.01Å; G74-A428 PolarHBondContact N-O 3.27Å
75	G	85.3	Confident	91.6	Very high	24 Å²	24	56.2 Å²	56.2	25%	0.247	30%	0.3	C	S	.	.	S	Bend	trans	76.2	-171.8	178.2	0	0	0	0	0	115.2	Y77	G75-Y77 PolarHBondContact O-N 3.04Å
76	P	85.6	Confident	91.6	Very high	59 Å²	59	53.2 Å²	53.2	38%	0.383	27%	0.273	S	S	.	.	S	Bend	trans	-74.4	-21.2	-173	27.3	-34.3	0	0	0	114.2	R78 A208 F343	P76-R78 PolarHBondContact O-N 3.26Å; P76-A208 HydrophobicContact CB-CB 3.98Å; P76-A208 HydrophobicContact CG-CB 3.92Å; P76-A208 WeakPolarHBondContact CG-O 3.22Å; P76-F343 HydrophobicContact CG-CZ 4.2Å
77	Y	90.9	Very high	91.7	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.012	29%	0.287	C	S	.	.			trans	-76.3	105.7	-179.2	-174.2	-99.3	0	0	0	111.9	W73 G75 L79 V82 D83 E86 F206 I209 I430	W73-Y77 HydrophobicContact CZ2-CD1 4.3Å; W73-Y77 HydrophobicContact CZ2-CE1 4.22Å; W73-Y77 AromaticContact NE1-CD1 3.65Å; W73-Y77 PolarHBondContact NE1-O 2.81Å; G75-Y77 PolarHBondContact O-N 3.04Å; Y77-L79 HydrophobicContact CE1-CB 4.34Å; Y77-L79 WeakPolarHBondContact CE1-O 3.41Å; Y77-L79 HydrophobicContact CE2-CB 3.91Å; Y77-L79 HydrophobicContact CE2-CD1 4.19Å; Y77-L79 HydrophobicContact CE2-CG 4.3Å; Y77-V82 WeakPolarHBondContact OH-CG2 3.43Å; Y77-D83 WeakPolarHBondContact OH-CB 3.32Å; Y77-E86 HydrophobicContact CE1-CG 4.37Å; Y77-E86 PolarHBondContact OH-OE1 2.77Å; Y77-F206 AromaticContact CD2-CD1 3.78Å; Y77-F206 HydrophobicContact CD2-CD1 3.78Å; Y77-F206 AromaticContact CD2-CE1 3.52Å; Y77-F206 HydrophobicContact CD2-CE1 3.52Å; Y77-F206 HydrophobicContact CD2-CZ 4.26Å; Y77-F206 HydrophobicContact CE2-CD1 4.27Å; Y77-F206 HydrophobicContact CE2-CE1 4.43Å; Y77-F206 HydrophobicContact CG-CE1 4.34Å; Y77-I209 HydrophobicContact CD2-CB 4.28Å; Y77-I209 HydrophobicContact CD2-CD1 3.62Å; Y77-I209 HydrophobicContact CD2-CG1 4.22Å; Y77-I209 HydrophobicContact CE2-CD1 3.66Å; Y77-I209 HydrophobicContact CG-CD1 4.05Å; Y77-I209 HydrophobicContact CG-CG1 4.47Å; Y77-I430 HydrophobicContact CD1-CB 4.22Å; Y77-I430 HydrophobicContact CD1-CD1 3.71Å; Y77-I430 HydrophobicContact CD1-CG2 3.81Å; Y77-I430 HydrophobicContact CE1-CD1 3.58Å; Y77-I430 HydrophobicContact CG-CG2 4Å
78	R	88.6	Confident	92	Very high	181 Å²	181	51.2 Å²	51.2	68%	0.683	26%	0.257	S	S	*	.			trans	-108.2	-3.2	179.9	-60.1	-60.6	-171.7	175.9	1.4	114.3	P76	P76-R78 PolarHBondContact O-N 3.26Å
79	L	90.1	Very high	92.1	Very high	58 Å²	58	48.9 Å²	48.9	30%	0.304	24%	0.244	S	C	.	.			trans	-74.6	157.4	-178.8	-51.6	175.8	0	0	0	110.3	Y77 V82 L200 F206	Y77-L79 HydrophobicContact CE1-CB 4.34Å; Y77-L79 WeakPolarHBondContact CE1-O 3.41Å; Y77-L79 HydrophobicContact CE2-CB 3.91Å; Y77-L79 HydrophobicContact CE2-CD1 4.19Å; Y77-L79 HydrophobicContact CE2-CG 4.3Å; L79-V82 HydrophobicContact CB-CG2 3.39Å; L79-V82 HydrophobicContact CD1-CG2 3.84Å; L79-V82 HydrophobicContact CG-CG2 4.22Å; L79-L200 HydrophobicContact CD1-CD1 3.93Å; L79-L200 HydrophobicContact CD1-CD2 3.64Å; L79-L200 HydrophobicContact CD1-CG 4.38Å; L79-F206 HydrophobicContact CD1-CB 4.35Å; L79-F206 HydrophobicContact CD1-CD2 4.39Å; L79-F206 HydrophobicContact CD1-CG 4.31Å
80	R	90.2	Very high	92.2	Very high	159 Å²	159	50 Å²	50	60%	0.6	25%	0.251	S	S	*	.			trans	-139.3	138.7	178.3	-65	-170.7	-176.3	-93.7	4.9	110.4	W73 V82	W73-R80 HydrophobicContact CH2-CG 4.24Å; W73-R80 HydrophobicContact CZ2-CG 4.13Å; R80-V82 PolarHBondContact O-N 3.05Å
81	N	90.2	Very high	92.3	Very high	119 Å²	119	47.2 Å²	47.2	64%	0.636	23%	0.227	S	C	*	.	S	Bend	trans	62.4	21.5	177.9	-163	45.9	0	0	0	114.4	E86 K91	N81-E86 WeakPolarHBondContact CA-OE1 3.32Å; N81-E86 WeakPolarHBondContact CA-OE2 3.36Å; N81-E86 PolarHBondContact N-OE1 3.39Å; N81-E86 PolarHBondContact N-OE2 3.4Å; N81-K91 PolarHBondContact O-NZ 3.04Å; N81-K91 PolarHBondContact OD1-NZ 3.06Å
82	V	92.3	Very high	92.3	Very high	48 Å²	48	45.1 Å²	45.1	29%	0.291	22%	0.218	S	C	.	.			trans	-116.2	-3.1	-176.5	-56.6	0	0	0	0	114	Y77 L79 R80 E86 W165 T198 L200	Y77-V82 WeakPolarHBondContact OH-CG2 3.43Å; L79-V82 HydrophobicContact CB-CG2 3.39Å; L79-V82 HydrophobicContact CD1-CG2 3.84Å; L79-V82 HydrophobicContact CG-CG2 4.22Å; R80-V82 PolarHBondContact O-N 3.05Å; V82-E86 PolarHBondContact N-OE1 3.32Å; V82-W165 VanDerWaalsContact C-CH2 3.48Å; V82-W165 WeakPolarHBondContact O-CH2 3.45Å; V82-T198 HydrophobicContact CG2-CG2 4.22Å; V82-L200 HydrophobicContact CB-CD2 4.09Å; V82-L200 HydrophobicContact CG2-CD2 3.85Å
83	D	94.6	Very high	92.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-124	145.2	171.6	-162.8	-63.7	0	0	0	109.7	Y77 R85 E86 R196 T198	Y77-D83 WeakPolarHBondContact OH-CB 3.32Å; D83-R85 PolarHBondContact O-N 3.42Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.24Å; D83-R85 WeakPolarHBondContact OD1-CG 3.27Å; D83-R85 IonicContact OD1-CZ 3.9Å; D83-R85 PolarHBondContact OD1-N 2.89Å; D83-R85 IonicContact OD1-NE 2.67Å; D83-R85 PolarHBondContact OD1-NE 3.16Å; D83-R85 IonicContact OD1-NH2 3.27Å; D83-R85 IonicContact OD2-CZ 3.84Å; D83-R85 IonicContact OD2-NE 2.88Å; D83-R85 IonicContact OD2-NH2 3.17Å; D83-R85 PolarHBondContact OD2-NH2 3.03Å; D83-E86 HydrophobicContact CB-CG 4.12Å; D83-E86 PolarHBondContact N-OE1 3.36Å; D83-E86 PolarHBondContact O-N 2.98Å; D83-R196 IonicContact OD1-NH2 3.71Å; D83-R196 IonicContact OD2-NH2 3.07Å; D83-T198 HydrophobicContact CB-CG2 3.86Å; D83-T198 VanDerWaalsContact OD2-CA 3.27Å; D83-T198 WeakPolarHBondContact OD2-CA 3.27Å; D83-T198 WeakPolarHBondContact OD2-CB 3.39Å; D83-T198 WeakPolarHBondContact OD2-CG2 3.38Å; D83-T198 PolarHBondContact OD2-OG1 3.31Å
84	D	94.9	Very high	92.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.9	179.6	43.7	-1.4	0	0	0	114.4	E86 K91 F92 W165 Y193 R196	D84-E86 VanDerWaalsContact C-N 3.31Å; D84-K91 HydrophobicContact CB-CB 4.32Å; D84-K91 HydrophobicContact CB-CG 4.19Å; D84-F92 HydrophobicContact CB-CE2 3.73Å; D84-F92 HydrophobicContact CB-CZ 3.86Å; D84-W165 HydrophobicContact CB-CB 4.05Å; D84-W165 HydrophobicContact CB-CD2 3.71Å; D84-W165 HydrophobicContact CB-CE3 3.21Å; D84-W165 HydrophobicContact CB-CG 4.08Å; D84-W165 HydrophobicContact CB-CZ3 3.87Å; D84-W165 VanDerWaalsContact CG-CE3 3.44Å; D84-W165 VanDerWaalsContact N-CZ3 3.28Å; D84-Y193 PolarHBondContact OD1-OH 2.9Å; D84-Y193 PolarHBondContact OD2-OH 3.07Å; D84-R196 IonicContact OD1-CZ 3.96Å; D84-R196 VanDerWaalsContact OD1-CZ 3.31Å; D84-R196 IonicContact OD1-NH1 3.06Å; D84-R196 PolarHBondContact OD1-NH1 3.18Å; D84-R196 IonicContact OD1-NH2 2.65Å; D84-R196 PolarHBondContact OD1-NH2 2.82Å; D84-R196 IonicContact OD2-NH1 2.96Å; D84-R196 IonicContact OD2-NH2 3.47Å
85	R	96.4	Very high	92.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.9	-179.2	-60.2	173.9	-71.1	176.4	0.8	112.2	D83 R87 W88 Y193 S194 R196 F211 Y436 V439	D83-R85 PolarHBondContact O-N 3.42Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.24Å; D83-R85 WeakPolarHBondContact OD1-CG 3.27Å; D83-R85 IonicContact OD1-CZ 3.9Å; D83-R85 PolarHBondContact OD1-N 2.89Å; D83-R85 IonicContact OD1-NE 2.67Å; D83-R85 PolarHBondContact OD1-NE 3.16Å; D83-R85 IonicContact OD1-NH2 3.27Å; D83-R85 IonicContact OD2-CZ 3.84Å; D83-R85 IonicContact OD2-NE 2.88Å; D83-R85 IonicContact OD2-NH2 3.17Å; D83-R85 PolarHBondContact OD2-NH2 3.03Å; R85-R87 PolarHBondContact O-N 3.24Å; R85-W88 PolarHBondContact O-N 3.02Å; R85-Y193 WeakPolarHBondContact CD-O 3.33Å; R85-Y193 HydrophobicContact CG-CD1 4.23Å; R85-Y193 HydrophobicContact CG-CE1 3.56Å; R85-Y193 PolarHBondContact NH1-O 3.22Å; R85-S194 PolarHBondContact NH1-O 3.45Å; R85-R196 VanDerWaalsContact CZ-O 3.25Å; R85-R196 VanDerWaalsContact NH1-CG 3.31Å; R85-R196 PolarHBondContact NH1-O 2.96Å; R85-R196 PolarHBondContact NH2-O 2.9Å; R85-F211 HydrophobicContact CB-CD1 4.41Å; R85-F211 HydrophobicContact CB-CD2 4.18Å; R85-F211 HydrophobicContact CB-CE1 3.82Å; R85-F211 HydrophobicContact CB-CE2 3.53Å; R85-F211 HydrophobicContact CB-CZ 3.34Å; R85-F211 HydrophobicContact CG-CE2 4.33Å; R85-Y436 PolarHBondContact O-OH 2.92Å; R85-V439 HydrophobicContact CB-CG1 3.8Å; R85-V439 HydrophobicContact CB-CG2 4.3Å; R85-V439 HydrophobicContact CG-CG1 3.53Å
86	E	95.3	Very high	93.3	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.065	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	128.4	171.2	-63.4	-177.8	-126.9	0	0	111	Y77 N81 V82 D83 D84 W88 I430 Y436	Y77-E86 HydrophobicContact CE1-CG 4.37Å; Y77-E86 PolarHBondContact OH-OE1 2.77Å; N81-E86 WeakPolarHBondContact CA-OE1 3.32Å; N81-E86 WeakPolarHBondContact CA-OE2 3.36Å; N81-E86 PolarHBondContact N-OE1 3.39Å; N81-E86 PolarHBondContact N-OE2 3.4Å; V82-E86 PolarHBondContact N-OE1 3.32Å; D83-E86 HydrophobicContact CB-CG 4.12Å; D83-E86 PolarHBondContact N-OE1 3.36Å; D83-E86 PolarHBondContact O-N 2.98Å; D84-E86 VanDerWaalsContact C-N 3.31Å; E86-W88 PolarHBondContact O-N 3.43Å; E86-I430 HydrophobicContact CG-CD1 3.85Å; E86-Y436 WeakPolarHBondContact CA-OH 3.46Å
87	R	93.9	Very high	93.7	Very high	121 Å²	121	45.8 Å²	45.8	46%	0.457	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	48.9	-178.2	-60.2	178.7	175.3	-179.2	-3	111.3	V68 R85 T90 Y436	V68-R87 HydrophobicContact CB-CB 4.4Å; V68-R87 HydrophobicContact CG2-CB 4.29Å; R85-R87 PolarHBondContact O-N 3.24Å; R87-T90 HydrophobicContact CB-CG2 4.42Å; R87-T90 WeakPolarHBondContact O-CB 3.33Å; R87-T90 VanDerWaalsContact O-CG2 3.22Å; R87-T90 WeakPolarHBondContact O-CG2 3.38Å; R87-T90 PolarHBondContact O-N 2.75Å; R87-T90 PolarHBondContact O-OG1 2.93Å; R87-Y436 PolarHBondContact N-OH 2.82Å
88	W	96.1	Very high	94	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	139.2	-176.2	175	-103.7	0	0	0	112.4	Q26 F27 R85 E86 F92 Y193 Y436 N437 V439 P440 F441	Q26-W88 HydrophobicContact CG-CH2 4.32Å; F27-W88 AromaticContact CE1-CH2 3.62Å; F27-W88 HydrophobicContact CE1-CH2 3.62Å; F27-W88 AromaticContact CE1-CZ2 3.66Å; F27-W88 HydrophobicContact CE1-CZ2 3.66Å; F27-W88 HydrophobicContact CE2-CH2 4.45Å; F27-W88 AromaticContact CZ-CH2 3.39Å; F27-W88 HydrophobicContact CZ-CH2 3.39Å; F27-W88 AromaticContact CZ-CZ2 3.96Å; F27-W88 HydrophobicContact CZ-CZ2 3.96Å; F27-W88 HydrophobicContact CZ-CZ3 4.11Å; R85-W88 PolarHBondContact O-N 3.02Å; E86-W88 PolarHBondContact O-N 3.43Å; W88-F92 HydrophobicContact CE3-CE2 4.3Å; W88-F92 HydrophobicContact CH2-CD2 4.43Å; W88-F92 HydrophobicContact CH2-CE2 4.27Å; W88-F92 AromaticContact CZ3-CD2 3.92Å; W88-F92 HydrophobicContact CZ3-CD2 3.92Å; W88-F92 AromaticContact CZ3-CE2 3.55Å; W88-F92 HydrophobicContact CZ3-CE2 3.55Å; W88-F92 HydrophobicContact CZ3-CZ 4.45Å; W88-Y193 HydrophobicContact CH2-CE1 4.32Å; W88-Y193 AromaticContact CZ3-CE1 3.86Å; W88-Y193 HydrophobicContact CZ3-CE1 3.86Å; W88-Y436 HydrophobicContact CB-CE1 4.34Å; W88-N437 WeakPolarHBondContact O-CB 3.42Å; W88-N437 PolarHBondContact O-ND2 3Å; W88-V439 HydrophobicContact CB-CG2 3.62Å; W88-V439 HydrophobicContact CD2-CG1 4.26Å; W88-V439 HydrophobicContact CD2-CG2 4.43Å; W88-V439 HydrophobicContact CE3-CG1 4.21Å; W88-V439 HydrophobicContact CG-CB 4.46Å; W88-V439 HydrophobicContact CG-CG2 3.86Å; W88-P440 HydrophobicContact CH2-CB 3.66Å; W88-P440 VanDerWaalsContact CZ2-C 3.43Å; W88-P440 HydrophobicContact CZ2-CB 3.65Å; W88-P440 WeakPolarHBondContact CZ2-O 3.4Å; W88-P440 HydrophobicContact CZ3-CB 4.23Å; W88-F441 PolarHBondContact NE1-O 2.8Å
89	P	95.3	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.1	33.1	-9.2	35.4	-40.9	0	0	0	116.2	F27 L66 K91 F92 F93 F442 P444	F27-P89 HydrophobicContact CE1-CB 4.05Å; L66-P89 VanDerWaalsContact CD2-CD 3.47Å; L66-P89 HydrophobicContact CD2-CG 3.92Å; P89-K91 VanDerWaalsContact C-N 3.25Å; P89-K91 PolarHBondContact O-N 2.66Å; P89-F92 PolarHBondContact O-N 3.06Å; P89-F93 PolarHBondContact O-N 3.09Å; P89-F442 HydrophobicContact CG-CD2 4.35Å; P89-F442 HydrophobicContact CG-CE2 4.28Å; P89-P444 HydrophobicContact CG-CG 3.9Å
90	T	94.4	Very high	94.6	Very high	35 Å²	35	44.5 Å²	44.5	22%	0.215	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.3	-167.2	55.6	0	0	0	0	116.9	L66 V68 R87 F92 F93 N94	L66-T90 HydrophobicContact CD2-CG2 3.78Å; V68-T90 HydrophobicContact CG1-CG2 3.67Å; V68-T90 HydrophobicContact CG2-CG2 4.29Å; R87-T90 HydrophobicContact CB-CG2 4.42Å; R87-T90 WeakPolarHBondContact O-CB 3.33Å; R87-T90 VanDerWaalsContact O-CG2 3.22Å; R87-T90 WeakPolarHBondContact O-CG2 3.38Å; R87-T90 PolarHBondContact O-N 2.75Å; R87-T90 PolarHBondContact O-OG1 2.93Å; T90-F92 PolarHBondContact O-N 3.28Å; T90-F93 WeakPolarHBondContact CA-O 3.4Å; T90-N94 PolarHBondContact O-OD1 3.41Å
91	K	93.8	Very high	94.9	Very high	34 Å²	34	39.7 Å²	39.7	15%	0.148	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.7	172	-67.4	-47.4	-172.3	142.6	0	112.2	K40 N81 D84 P89 W165	K40-K91 PolarHBondContact NZ-O 2.02Å; K40-K91 VanDerWaalsContact NZ-O 3.08Å; N81-K91 PolarHBondContact O-NZ 3.04Å; N81-K91 PolarHBondContact OD1-NZ 3.06Å; D84-K91 HydrophobicContact CB-CB 4.32Å; D84-K91 HydrophobicContact CB-CG 4.19Å; P89-K91 VanDerWaalsContact C-N 3.25Å; P89-K91 PolarHBondContact O-N 2.66Å; K91-W165 HydrophobicContact CB-CB 4.43Å; K91-W165 HydrophobicContact CB-CG 4.27Å; K91-W165 HydrophobicContact CG-CG 4.49Å
92	F	94.3	Very high	95.2	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.035	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-55	-176.9	-54	-92.7	0	0	0	111.4	F27 K40 D84 W88 P89 T90 W165 L168	F27-F92 HydrophobicContact CD2-CD1 4.47Å; F27-F92 HydrophobicContact CE1-CB 4.31Å; F27-F92 HydrophobicContact CE1-CG 4.43Å; F27-F92 HydrophobicContact CE2-CB 3.86Å; F27-F92 AromaticContact CE2-CD1 3.38Å; F27-F92 HydrophobicContact CE2-CD1 3.38Å; F27-F92 HydrophobicContact CE2-CD2 4.06Å; F27-F92 AromaticContact CE2-CE1 3.85Å; F27-F92 HydrophobicContact CE2-CE1 3.85Å; F27-F92 HydrophobicContact CE2-CE2 4.47Å; F27-F92 AromaticContact CE2-CG 3.51Å; F27-F92 HydrophobicContact CE2-CG 3.51Å; F27-F92 HydrophobicContact CE2-CZ 4.38Å; F27-F92 HydrophobicContact CZ-CB 3.6Å; F27-F92 AromaticContact CZ-CD1 3.74Å; F27-F92 HydrophobicContact CZ-CD1 3.74Å; F27-F92 AromaticContact CZ-CD2 3.52Å; F27-F92 HydrophobicContact CZ-CD2 3.52Å; F27-F92 HydrophobicContact CZ-CE1 4.25Å; F27-F92 HydrophobicContact CZ-CE2 4.07Å; F27-F92 AromaticContact CZ-CG 3.34Å; F27-F92 HydrophobicContact CZ-CG 3.34Å; F27-F92 HydrophobicContact CZ-CZ 4.42Å; K40-F92 WeakPolarHBondContact CG-O 3.29Å; D84-F92 HydrophobicContact CB-CE2 3.73Å; D84-F92 HydrophobicContact CB-CZ 3.86Å; W88-F92 HydrophobicContact CE3-CE2 4.3Å; W88-F92 HydrophobicContact CH2-CD2 4.43Å; W88-F92 HydrophobicContact CH2-CE2 4.27Å; W88-F92 AromaticContact CZ3-CD2 3.92Å; W88-F92 HydrophobicContact CZ3-CD2 3.92Å; W88-F92 AromaticContact CZ3-CE2 3.55Å; W88-F92 HydrophobicContact CZ3-CE2 3.55Å; W88-F92 HydrophobicContact CZ3-CZ 4.45Å; P89-F92 PolarHBondContact O-N 3.06Å; T90-F92 PolarHBondContact O-N 3.28Å; F92-W165 HydrophobicContact CE1-CB 4.05Å; F92-W165 HydrophobicContact CZ-CB 4.01Å; F92-L168 HydrophobicContact CD1-CD1 3.37Å; F92-L168 HydrophobicContact CE1-CD1 3.47Å; F92-L168 VanDerWaalsContact CE1-CD1 3.47Å; F92-L168 HydrophobicContact CE1-CD2 4.06Å; F92-L168 HydrophobicContact CE1-CG 4.3Å
93	F	95.2	Very high	95.4	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.186	C	C	.	.			trans	-134.9	135.2	-173.3	-57	-76.3	0	0	0	111.9	F27 C31 G36 K40 C42 P89 T90 T96	F27-F93 HydrophobicContact CB-CE2 3.8Å; F27-F93 HydrophobicContact CB-CZ 4.33Å; F27-F93 AromaticContact CD1-CD2 3.84Å; F27-F93 HydrophobicContact CD1-CD2 3.84Å; F27-F93 AromaticContact CD1-CE2 3.58Å; F27-F93 HydrophobicContact CD1-CE2 3.58Å; F27-F93 AromaticContact CD2-CE2 3.61Å; F27-F93 HydrophobicContact CD2-CE2 3.61Å; F27-F93 HydrophobicContact CD2-CZ 4.43Å; F27-F93 AromaticContact CE1-CD2 3.94Å; F27-F93 HydrophobicContact CE1-CD2 3.94Å; F27-F93 AromaticContact CE1-CE2 3.96Å; F27-F93 HydrophobicContact CE1-CE2 3.96Å; F27-F93 AromaticContact CE2-CE2 4Å; F27-F93 HydrophobicContact CE2-CE2 4Å; F27-F93 HydrophobicContact CG-CD2 4.12Å; F27-F93 AromaticContact CG-CE2 3.37Å; F27-F93 HydrophobicContact CG-CE2 3.37Å; F27-F93 HydrophobicContact CG-CZ 4.28Å; F27-F93 HydrophobicContact CZ-CD2 4.31Å; F27-F93 HydrophobicContact CZ-CE2 4.15Å; C31-F93 HydrophobicContact CB-CE1 4.15Å; C31-F93 HydrophobicContact CB-CZ 3.85Å; G36-F93 WeakPolarHBondContact O-CE1 3.35Å; K40-F93 CarbonylContact O-C 3.54Å; K40-F93 WeakPolarHBondContact O-CA 3.41Å; C42-F93 HydrophobicContact CB-CB 4.35Å; C42-F93 HydrophobicContact CB-CD1 3.53Å; C42-F93 HydrophobicContact CB-CD2 4.05Å; C42-F93 HydrophobicContact CB-CE1 3.74Å; C42-F93 HydrophobicContact CB-CE2 4.26Å; C42-F93 HydrophobicContact CB-CG 3.69Å; C42-F93 HydrophobicContact CB-CZ 4.11Å; P89-F93 PolarHBondContact O-N 3.09Å; T90-F93 WeakPolarHBondContact CA-O 3.4Å; F93-T96 HydrophobicContact CB-CG2 4.47Å
94	N	94.7	Very high	95.4	Very high	81 Å²	81	36.1 Å²	36.1	43%	0.433	19%	0.193	S	C	.	.	S	Bend	trans	-101.5	-16.2	175	-68.5	-7.5	0	0	0	112.1	K40 L66 T90	K40-N94 HydrophobicContact CB-CB 4.36Å; K40-N94 PolarHBondContact O-N 3.09Å; L66-N94 WeakPolarHBondContact CB-O 3.37Å; L66-N94 PolarHBondContact N-O 2.63Å; T90-N94 PolarHBondContact O-OD1 3.41Å
95	Q	95.9	Very high	95.3	Very high	79 Å²	79	36.4 Å²	36.4	37%	0.369	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.2	178.4	-62.5	-174.7	10.1	0	0	110.8	K40 Q41 C42 R64	K40-Q95 PolarHBondContact O-N 2.89Å; Q41-Q95 HydrophobicContact CB-CB 4.34Å; Q41-Q95 HydrophobicContact CG-CB 4.04Å; C42-Q95 PolarHBondContact N-O 3.37Å; R64-Q95 CarbonylContact O-C 3.59Å; R64-Q95 VanDerWaalsContact O-CA 3.23Å; R64-Q95 WeakPolarHBondContact O-CA 3.49Å
96	T	95.8	Very high	95.2	Very high	11 Å²	11	38 Å²	38	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	167.4	179.8	64.9	0	0	0	0	110.8	C42 R64 L66 F93 R98 F442	C42-T96 WeakPolarHBondContact O-CA 3.37Å; R64-T96 PolarHBondContact N-O 2.88Å; R64-T96 PolarHBondContact O-N 3.4Å; L66-T96 HydrophobicContact CD1-CG2 4.37Å; F93-T96 HydrophobicContact CB-CG2 4.47Å; T96-R98 PolarHBondContact O-N 3.15Å; T96-F442 HydrophobicContact CG2-CE2 3.65Å; T96-F442 HydrophobicContact CG2-CZ 3.67Å
97	C	95.9	Very high	95.3	Very high	9 Å²	9	38.3 Å²	38.3	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	123.4	172.8	-68.8	0	0	0	0	111.4	C54 Y106	C54-C97 WeakPolarHBondContact CA-SG 3.44Å; C54-C97 HydrophobicContact CB-CB 3.61Å; C54-C97 WeakPolarHBondContact CB-SG 3.02Å; C54-C97 WeakPolarHBondContact SG-CA 3.47Å; C54-C97 WeakPolarHBondContact SG-CB 3.2Å; C54-C97 CovalentContact SG-SG 2.03Å; C54-C97 PolarHBondContact SG-SG 2.83Å; C97-Y106 WeakPolarHBondContact CB-O 3.49Å; C97-Y106 PolarHBondContact SG-O 3.35Å
98	R	95.4	Very high	95.4	Very high	128 Å²	128	32.6 Å²	32.6	48%	0.483	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.4	167.1	-173.9	177.9	-177.3	159.3	-0.7	109.1	G61 S62 R64 T96	G61-R98 CarbonylContact C-O 3.59Å; G61-R98 WeakPolarHBondContact CA-O 3.48Å; S62-R98 PolarHBondContact N-O 3.28Å; S62-R98 PolarHBondContact O-N 2.91Å; R64-R98 HydrophobicContact CB-CB 4.3Å; R64-R98 HydrophobicContact CG-CB 4.34Å; T96-R98 PolarHBondContact O-N 3.15Å
99	C	96	Very high	95.3	Very high	31 Å²	31	33.9 Å²	33.9	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	148.9	-177.6	-50.1	0	0	0	0	111.8	R60 F103 C108	R60-C99 CarbonylContact O-C 3.33Å; R60-C99 WeakPolarHBondContact O-CA 3.3Å; C99-F103 HydrophobicContact CB-CB 3.98Å; C99-F103 VanDerWaalsContact CB-O 3.22Å; C99-F103 WeakPolarHBondContact CB-O 3.42Å; C99-C108 WeakPolarHBondContact CA-SG 3.41Å; C99-C108 HydrophobicContact CB-CB 3.79Å; C99-C108 WeakPolarHBondContact CB-SG 3.4Å; C99-C108 WeakPolarHBondContact SG-CA 3.41Å; C99-C108 WeakPolarHBondContact SG-CB 3.18Å; C99-C108 CovalentContact SG-SG 2.05Å; C99-C108 PolarHBondContact SG-SG 2.76Å
100	S	96.3	Very high	95.3	Very high	55 Å²	55	35.6 Å²	35.6	39%	0.385	21%	0.205	S	C	.	.			trans	-89.7	142.7	-179.7	-60.4	0	0	0	0	110.6	G59 R60 N102 F103	G59-S100 PolarHBondContact O-OG 2.93Å; R60-S100 PolarHBondContact O-N 2.89Å; S100-N102 PolarHBondContact O-N 3.12Å; S100-N102 VanDerWaalsContact O-N 3.17Å; S100-F103 WeakPolarHBondContact O-CB 3.37Å; S100-F103 WeakPolarHBondContact O-CD2 3.47Å; S100-F103 PolarHBondContact O-N 3.13Å; S100-F103 VanDerWaalsContact O-N 3.08Å
101	G	95.5	Very high	95.3	Very high	58 Å²	58	34.9 Å²	34.9	60%	0.598	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	-119.4	173.6	0	0	0	0	0	113.5	K112	G101-K112 VanDerWaalsContact O-CE 3.31Å; G101-K112 WeakPolarHBondContact O-CE 3.44Å; G101-K112 PolarHBondContact O-NZ 3.06Å
102	N	96.7	Very high	95.4	Very high	47 Å²	47	37.3 Å²	37.3	25%	0.251	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	6.5	-178.3	-67.1	-27.2	0	0	0	114	S100 C111 K112 W115 C120	S100-N102 PolarHBondContact O-N 3.12Å; S100-N102 VanDerWaalsContact O-N 3.17Å; N102-C111 CarbonylContact O-C 3.44Å; N102-C111 WeakPolarHBondContact O-CA 3.34Å; N102-K112 PolarHBondContact O-N 3.38Å; N102-W115 HydrophobicContact CB-CB 4.4Å; N102-W115 HydrophobicContact CB-CD2 4.15Å; N102-W115 HydrophobicContact CB-CG 4.01Å; N102-W115 VanDerWaalsContact ND2-CE3 3.31Å; N102-W115 WeakPolarHBondContact ND2-CH2 3.18Å; N102-W115 WeakPolarHBondContact ND2-CZ2 3.04Å; N102-W115 WeakPolarHBondContact ND2-CZ3 3.26Å; N102-C120 HydrophobicContact CB-CB 3.82Å; N102-C120 WeakPolarHBondContact CB-O 3Å; N102-C120 PolarHBondContact ND2-O 3.14Å; N102-C120 VanDerWaalsContact ND2-O 3.13Å; N102-C120 WeakPolarHBondContact O-CB 3.31Å
103	F	97.1	Very high	95.4	Very high	28 Å²	28	38.7 Å²	38.7	12%	0.123	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	151.4	170.5	-62.1	-67.7	0	0	0	110.7	R60 C99 S100 Q110 N119 C120	R60-F103 HydrophobicContact CB-CD1 4.43Å; R60-F103 HydrophobicContact CB-CD2 4.03Å; R60-F103 HydrophobicContact CB-CE2 4.4Å; R60-F103 HydrophobicContact CB-CG 4.07Å; R60-F103 HydrophobicContact CG-CD1 3.97Å; R60-F103 HydrophobicContact CG-CD2 3.97Å; R60-F103 HydrophobicContact CG-CE1 3.89Å; R60-F103 HydrophobicContact CG-CE2 3.9Å; R60-F103 HydrophobicContact CG-CG 4.03Å; R60-F103 HydrophobicContact CG-CZ 3.86Å; C99-F103 HydrophobicContact CB-CB 3.98Å; C99-F103 VanDerWaalsContact CB-O 3.22Å; C99-F103 WeakPolarHBondContact CB-O 3.42Å; S100-F103 WeakPolarHBondContact O-CB 3.37Å; S100-F103 WeakPolarHBondContact O-CD2 3.47Å; S100-F103 PolarHBondContact O-N 3.13Å; S100-F103 VanDerWaalsContact O-N 3.08Å; F103-Q110 CarbonylContact C-O 3.53Å; F103-Q110 WeakPolarHBondContact CA-O 3.41Å; F103-N119 VanDerWaalsContact CZ-O 3.31Å; F103-N119 WeakPolarHBondContact CZ-O 3.05Å; F103-C120 HydrophobicContact CD1-CB 4.08Å; F103-C120 WeakPolarHBondContact CD1-SG 3.34Å; F103-C120 HydrophobicContact CE1-CB 4.09Å; F103-C120 VanDerWaalsContact CE1-SG 3.57Å
104	A	94.8	Very high	95.4	Very high	18 Å²	18	38.8 Å²	38.8	15%	0.149	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-175.3	-178.6	0	0	0	0	0	111.4	C108 G109 Q110 K112	A104-C108 CarbonylContact O-C 3.34Å; A104-C108 VanDerWaalsContact O-C 3.28Å; A104-C108 WeakPolarHBondContact O-CA 3.37Å; A104-G109 PolarHBondContact O-N 2.81Å; A104-Q110 PolarHBondContact N-O 2.9Å; A104-Q110 CarbonylContact O-C 3.35Å; A104-Q110 WeakPolarHBondContact O-CA 3.24Å; A104-Q110 WeakPolarHBondContact O-CB 3.31Å; A104-Q110 PolarHBondContact O-N 3.12Å; A104-Q110 VanDerWaalsContact O-O 3.12Å; A104-K112 HydrophobicContact CB-CG 3.93Å
105	G	93.4	Very high	95.4	Very high	6 Å²	6	38.3 Å²	38.3	6%	0.062	21%	0.211	C	C	.	.	S	Bend	trans	87.5	163.9	-177.9	0	0	0	0	0	112.4	N107 C108	G105-N107 PolarHBondContact O-N 3.15Å; G105-N107 VanDerWaalsContact O-N 3.09Å; G105-C108 PolarHBondContact O-N 3.24Å; G105-C108 VanDerWaalsContact O-N 3.08Å
106	Y	94.2	Very high	95.3	Very high	34 Å²	34	36.1 Å²	36.1	13%	0.133	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	-169.3	67.1	-101.1	0	0	0	114.6	P28 P44 C97 D157 Y158	P28-Y106 HydrophobicContact CB-CD1 4.46Å; P28-Y106 HydrophobicContact CB-CD2 3.69Å; P28-Y106 HydrophobicContact CB-CE2 3.97Å; P28-Y106 HydrophobicContact CB-CG 3.97Å; P28-Y106 VanDerWaalsContact CG-CB 3.44Å; P28-Y106 HydrophobicContact CG-CD1 4.1Å; P28-Y106 HydrophobicContact CG-CD2 3.55Å; P28-Y106 HydrophobicContact CG-CE2 4.33Å; P28-Y106 HydrophobicContact CG-CG 3.43Å; P28-Y106 VanDerWaalsContact CG-CG 3.43Å; P44-Y106 HydrophobicContact CB-CD2 4.5Å; P44-Y106 HydrophobicContact CB-CE2 4.39Å; P44-Y106 HydrophobicContact CG-CD2 3.45Å; P44-Y106 VanDerWaalsContact CG-CD2 3.45Å; P44-Y106 HydrophobicContact CG-CE2 3.79Å; C97-Y106 WeakPolarHBondContact CB-O 3.49Å; C97-Y106 PolarHBondContact SG-O 3.35Å; Y106-D157 HydrophobicContact CE1-CB 3.7Å; Y106-D157 PolarHBondContact OH-OD1 2.79Å; Y106-Y158 HydrophobicContact CD1-CE2 4.36Å
107	N	95.7	Very high	95.2	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.107	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	12.2	175.8	65.1	0.2	0	0	0	113.2	P44 C54 G105 G109	P44-N107 HydrophobicContact CB-CB 4.48Å; P44-N107 HydrophobicContact CG-CB 4.03Å; C54-N107 CarbonylContact C-O 3.53Å; G105-N107 PolarHBondContact O-N 3.15Å; G105-N107 VanDerWaalsContact O-N 3.09Å; N107-G109 PolarHBondContact O-N 3.23Å; N107-G109 WeakPolarHBondContact OD1-CA 3.31Å; N107-G109 PolarHBondContact OD1-N 3.25Å
108	C	96.9	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	63.6	20.5	-173.5	-52.4	0	0	0	0	115.7	C54 R60 C99 A104 G105	C54-C108 WeakPolarHBondContact O-CB 3.47Å; R60-C108 HydrophobicContact CB-CB 4.05Å; R60-C108 WeakPolarHBondContact CD-O 3.02Å; R60-C108 PolarHBondContact NH1-O 3.09Å; C99-C108 WeakPolarHBondContact CA-SG 3.41Å; C99-C108 HydrophobicContact CB-CB 3.79Å; C99-C108 WeakPolarHBondContact CB-SG 3.4Å; C99-C108 WeakPolarHBondContact SG-CA 3.41Å; C99-C108 WeakPolarHBondContact SG-CB 3.18Å; C99-C108 CovalentContact SG-SG 2.05Å; C99-C108 PolarHBondContact SG-SG 2.76Å; A104-C108 CarbonylContact O-C 3.34Å; A104-C108 VanDerWaalsContact O-C 3.28Å; A104-C108 WeakPolarHBondContact O-CA 3.37Å; G105-C108 PolarHBondContact O-N 3.24Å; G105-C108 VanDerWaalsContact O-N 3.08Å
109	G	94.9	Very high	95	Very high	29 Å²	29	39.2 Å²	39.2	30%	0.299	24%	0.238	S	C	.	.			trans	-80.2	-19.1	177.5	0	0	0	0	0	115.1	L46 R60 A104 N107	L46-G109 VanDerWaalsContact CD1-CA 3.44Å; R60-G109 PolarHBondContact NH1-O 3.1Å; A104-G109 PolarHBondContact O-N 2.81Å; N107-G109 PolarHBondContact O-N 3.23Å; N107-G109 WeakPolarHBondContact OD1-CA 3.31Å; N107-G109 PolarHBondContact OD1-N 3.25Å
110	Q	94.3	Very high	95	Very high	35 Å²	35	37.8 Å²	37.8	16%	0.164	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	175.1	-177	-60.2	-178.5	-3.6	0	0	111.6	F103 A104	F103-Q110 CarbonylContact C-O 3.53Å; F103-Q110 WeakPolarHBondContact CA-O 3.41Å; A104-Q110 PolarHBondContact N-O 2.9Å; A104-Q110 CarbonylContact O-C 3.35Å; A104-Q110 WeakPolarHBondContact O-CA 3.24Å; A104-Q110 WeakPolarHBondContact O-CB 3.31Å; A104-Q110 PolarHBondContact O-N 3.12Å; A104-Q110 VanDerWaalsContact O-O 3.12Å
111	C	95	Very high	95	Very high	21 Å²	21	39.7 Å²	39.7	14%	0.142	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154.3	169.3	-57.9	0	0	0	0	111.5	N102 W115 G117 C120 R231	N102-C111 CarbonylContact O-C 3.44Å; N102-C111 WeakPolarHBondContact O-CA 3.34Å; C111-W115 HydrophobicContact CB-CB 4.1Å; C111-W115 VanDerWaalsContact CB-O 3.3Å; C111-W115 WeakPolarHBondContact CB-O 3.13Å; C111-G117 PolarHBondContact SG-O 3.03Å; C111-C120 WeakPolarHBondContact CA-SG 3.18Å; C111-C120 HydrophobicContact CB-CB 3.69Å; C111-C120 WeakPolarHBondContact CB-SG 3.49Å; C111-C120 WeakPolarHBondContact SG-CA 3.5Å; C111-C120 WeakPolarHBondContact SG-CB 3.28Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 2.58Å; C111-R231 PolarHBondContact O-NH1 3.16Å; C111-R231 PolarHBondContact O-NH2 3Å
112	K	95.4	Very high	95	Very high	85 Å²	85	42 Å²	42	37%	0.37	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-58.4	152.7	166.7	-74.6	-173.8	178.3	169.2	0	109.9	G101 N102 A104 G114 W115	G101-K112 VanDerWaalsContact O-CE 3.31Å; G101-K112 WeakPolarHBondContact O-CE 3.44Å; G101-K112 PolarHBondContact O-NZ 3.06Å; N102-K112 PolarHBondContact O-N 3.38Å; A104-K112 HydrophobicContact CB-CG 3.93Å; K112-G114 PolarHBondContact O-N 2.84Å; K112-W115 PolarHBondContact O-N 3.19Å
113	F	94.7	Very high	94.9	Very high	37 Å²	37	45.1 Å²	45.1	16%	0.162	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	137.7	172.7	-70	-77.7	0	0	0	110.3	W115 Y224 L227 R231 L457	F113-W115 VanDerWaalsContact C-N 3.34Å; F113-Y224 HydrophobicContact CE2-CD2 4.16Å; F113-Y224 AromaticContact CE2-CE2 3.7Å; F113-Y224 HydrophobicContact CE2-CE2 3.7Å; F113-Y224 HydrophobicContact CZ-CE2 4.38Å; F113-L227 HydrophobicContact CD1-CB 4.2Å; F113-L227 HydrophobicContact CD1-CD1 4.49Å; F113-L227 HydrophobicContact CD1-CD2 4Å; F113-L227 HydrophobicContact CD1-CG 4.48Å; F113-L227 HydrophobicContact CE1-CB 3.65Å; F113-L227 HydrophobicContact CE1-CD2 4.17Å; F113-L227 HydrophobicContact CE1-CG 4.39Å; F113-L227 WeakPolarHBondContact CE1-O 3.37Å; F113-L227 HydrophobicContact CE2-CB 4.44Å; F113-L227 HydrophobicContact CZ-CB 3.78Å; F113-R231 HydrophobicContact CE1-CB 4.31Å; F113-R231 VanDerWaalsContact CZ-CZ 3.48Å; F113-R231 VanDerWaalsContact CZ-NH2 3.31Å; F113-L457 CarbonylContact C-O 3.58Å; F113-L457 HydrophobicContact CB-CB 4.29Å; F113-L457 HydrophobicContact CB-CD2 4.23Å; F113-L457 WeakPolarHBondContact CB-O 3.46Å
114	G	94.1	Very high	94.6	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	2.3	-173.7	0	0	0	0	0	116.1	K112 R123 K124 L457	K112-G114 PolarHBondContact O-N 2.84Å; G114-R123 WeakPolarHBondContact O-CD 2.77Å; G114-K124 PolarHBondContact O-N 2.68Å; G114-L457 PolarHBondContact N-O 2.84Å
115	W	95.2	Very high	94.4	Very high	70 Å²	70	49.4 Å²	49.4	27%	0.265	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.4	177.1	-61	89.5	0	0	0	111.7	N102 C111 K112 F113 Q122 R123	N102-W115 HydrophobicContact CB-CB 4.4Å; N102-W115 HydrophobicContact CB-CD2 4.15Å; N102-W115 HydrophobicContact CB-CG 4.01Å; N102-W115 VanDerWaalsContact ND2-CE3 3.31Å; N102-W115 WeakPolarHBondContact ND2-CH2 3.18Å; N102-W115 WeakPolarHBondContact ND2-CZ2 3.04Å; N102-W115 WeakPolarHBondContact ND2-CZ3 3.26Å; C111-W115 HydrophobicContact CB-CB 4.1Å; C111-W115 VanDerWaalsContact CB-O 3.3Å; C111-W115 WeakPolarHBondContact CB-O 3.13Å; K112-W115 PolarHBondContact O-N 3.19Å; F113-W115 VanDerWaalsContact C-N 3.34Å; W115-Q122 CarbonylContact C-O 3.58Å; W115-Q122 VanDerWaalsContact CA-O 3.29Å; W115-Q122 WeakPolarHBondContact CA-O 3.04Å; W115-R123 HydrophobicContact CH2-CG 4.47Å; W115-R123 HydrophobicContact CZ3-CG 4.31Å
116	T	94.1	Very high	94.4	Very high	33 Å²	33	52 Å²	52	20%	0.202	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	-177.2	178.6	-166.9	0	0	0	0	110.8	C120 Q122 K124	T116-C120 WeakPolarHBondContact O-CA 3.4Å; T116-Q122 HydrophobicContact CG2-CB 4.02Å; T116-Q122 PolarHBondContact N-O 3.06Å; T116-Q122 PolarHBondContact O-N 3.41Å; T116-K124 HydrophobicContact CG2-CB 4.28Å
117	G	92.9	Very high	94.4	Very high	21 Å²	21	50.5 Å²	50.5	22%	0.216	27%	0.272	C	S	.	.	S	Bend	trans	86.8	164.1	-177.8	0	0	0	0	0	113	C111 N119 C120	C111-G117 PolarHBondContact SG-O 3.03Å; G117-N119 PolarHBondContact O-N 2.7Å; G117-C120 PolarHBondContact O-N 3.33Å; G117-C120 VanDerWaalsContact O-N 3.17Å
118	P	93.1	Very high	94.5	Very high	94 Å²	94	52.6 Å²	52.6	61%	0.61	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.9	-175.7	24.6	-34	0	0	0	112.9	R60	R60-P118 PolarHBondContact NH2-O 3.32Å
119	N	95.4	Very high	94.6	Very high	99 Å²	99	52.6 Å²	52.6	53%	0.529	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	5.5	179.9	-63.4	-36.6	0	0	0	113.8	F103 G117 D121	F103-N119 VanDerWaalsContact CZ-O 3.31Å; F103-N119 WeakPolarHBondContact CZ-O 3.05Å; G117-N119 PolarHBondContact O-N 2.7Å; N119-D121 PolarHBondContact O-N 3.37Å
120	C	96.5	Very high	94.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	29%	0.286	C	S	.	.	S	Bend	trans	54.9	32.7	-177	-52.6	0	0	0	0	114.1	N102 F103 C111 T116 G117	N102-C120 HydrophobicContact CB-CB 3.82Å; N102-C120 WeakPolarHBondContact CB-O 3Å; N102-C120 PolarHBondContact ND2-O 3.14Å; N102-C120 VanDerWaalsContact ND2-O 3.13Å; N102-C120 WeakPolarHBondContact O-CB 3.31Å; F103-C120 HydrophobicContact CD1-CB 4.08Å; F103-C120 WeakPolarHBondContact CD1-SG 3.34Å; F103-C120 HydrophobicContact CE1-CB 4.09Å; F103-C120 VanDerWaalsContact CE1-SG 3.57Å; C111-C120 WeakPolarHBondContact CA-SG 3.18Å; C111-C120 HydrophobicContact CB-CB 3.69Å; C111-C120 WeakPolarHBondContact CB-SG 3.49Å; C111-C120 WeakPolarHBondContact SG-CA 3.5Å; C111-C120 WeakPolarHBondContact SG-CB 3.28Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 2.58Å; T116-C120 WeakPolarHBondContact O-CA 3.4Å; G117-C120 PolarHBondContact O-N 3.33Å; G117-C120 VanDerWaalsContact O-N 3.17Å
121	D	96.2	Very high	94.9	Very high	94 Å²	94	54.3 Å²	54.3	50%	0.503	29%	0.286	S	S	.	.			trans	-103.3	-5.8	-177.9	54.9	-9.2	0	0	0	112.9	N119	N119-D121 PolarHBondContact O-N 3.37Å
122	Q	95.4	Very high	95.1	Very high	107 Å²	107	53.4 Å²	53.4	50%	0.5	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.3	179.3	-59.3	174.1	13.5	0	0	110.1	W115 T116 K124	W115-Q122 CarbonylContact C-O 3.58Å; W115-Q122 VanDerWaalsContact CA-O 3.29Å; W115-Q122 WeakPolarHBondContact CA-O 3.04Å; T116-Q122 HydrophobicContact CG2-CB 4.02Å; T116-Q122 PolarHBondContact N-O 3.06Å; T116-Q122 PolarHBondContact O-N 3.41Å; Q122-K124 PolarHBondContact O-N 2.82Å
123	R	93.6	Very high	95.1	Very high	113 Å²	113	53.5 Å²	53.5	43%	0.426	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.5	170.2	-80.8	-61.2	-142	163.7	12.1	109.3	G114 W115 R456	G114-R123 WeakPolarHBondContact O-CD 2.77Å; W115-R123 HydrophobicContact CH2-CG 4.47Å; W115-R123 HydrophobicContact CZ3-CG 4.31Å; R123-R456 PolarHBondContact NH1-O 3.03Å
124	K	90.6	Very high	95.2	Very high	33 Å²	33	55.4 Å²	55.4	14%	0.143	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.9	135	172.8	-166.4	-173.5	177.6	-170.2	0	108.3	G114 T116 Q122 E241	G114-K124 PolarHBondContact O-N 2.68Å; T116-K124 HydrophobicContact CG2-CB 4.28Å; Q122-K124 PolarHBondContact O-N 2.82Å; K124-E241 WeakPolarHBondContact CE-O 2.68Å; K124-E241 PolarHBondContact NZ-O 2.88Å
125	T	91.3	Very high	95.4	Very high	103 Å²	103	56.5 Å²	56.5	63%	0.632	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-57.1	127.2	167.2	-56.5	0	0	0	0	108.6	V127	T125-V127 PolarHBondContact O-N 2.67Å
126	P	93.1	Very high	95.5	Very high	59 Å²	59	56.3 Å²	56.3	38%	0.383	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-58.8	129.3	-177.9	-26.5	35.1	0	0	0	112	G458	P126-G458 WeakPolarHBondContact CA-O 2.87Å
127	V	95	Very high	95.6	Very high	3 Å²	3	59 Å²	59	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	133.7	170.2	178.1	0	0	0	0	108.4	T125 E241 A244 G458 Y459 S460	T125-V127 PolarHBondContact O-N 2.67Å; V127-E241 VanDerWaalsContact CG2-O 3.3Å; V127-E241 WeakPolarHBondContact CG2-O 3.16Å; V127-A244 HydrophobicContact CG1-CB 3.32Å; V127-G458 PolarHBondContact N-O 3.46Å; V127-Y459 CarbonylContact O-C 3.52Å; V127-Y459 WeakPolarHBondContact O-CA 3.25Å; V127-Y459 WeakPolarHBondContact O-CB 3.21Å; V127-S460 PolarHBondContact O-N 3.3Å
128	V	97.1	Very high	95.8	Very high	64 Å²	64	64.5 Å²	64.5	39%	0.388	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.3	-176.6	-175.6	0	0	0	0	109.7	K130 A244 S460 A462	V128-K130 HydrophobicContact CG1-CG 4.41Å; V128-A244 WeakPolarHBondContact O-CB 3.46Å; V128-S460 WeakPolarHBondContact CA-O 3.16Å; V128-A462 HydrophobicContact CG1-CB 3.71Å
129	R	98.1	Very high	96	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.6	172.7	-63.8	-175.3	177.8	160.4	4.5	109.3	E230 A244 I245 Y247 D406 S460 Y461 A462	R129-E230 IonicContact CZ-OE1 2.83Å; R129-E230 IonicContact CZ-OE2 3.69Å; R129-E230 IonicContact NE-OE1 3.51Å; R129-E230 PolarHBondContact NE-OE1 3.4Å; R129-E230 IonicContact NE-OE2 3.82Å; R129-E230 IonicContact NH2-OE1 2.85Å; R129-E230 PolarHBondContact NH2-OE1 3.17Å; R129-E230 IonicContact NH2-OE2 2.71Å; R129-E230 PolarHBondContact NH2-OE2 2.87Å; R129-A244 HydrophobicContact CG-CB 4.2Å; R129-I245 WeakPolarHBondContact CD-O 3.32Å; R129-I245 VanDerWaalsContact CG-O 3.24Å; R129-I245 WeakPolarHBondContact CG-O 3.45Å; R129-Y247 WeakPolarHBondContact O-CE1 3.33Å; R129-D406 IonicContact NH1-OD2 3.89Å; R129-D406 PolarHBondContact NH1-OD2 3Å; R129-S460 PolarHBondContact N-O 3.22Å; R129-Y461 HydrophobicContact CB-CD1 3.65Å; R129-Y461 HydrophobicContact CB-CE1 3.65Å; R129-Y461 HydrophobicContact CG-CE1 4.24Å; R129-Y461 PolarHBondContact NH1-OH 2.85Å; R129-Y461 WeakPolarHBondContact O-CA 3.23Å; R129-A462 PolarHBondContact O-N 3.37Å
130	K	98.3	Very high	96.1	Very high	71 Å²	71	59.2 Å²	59.2	31%	0.309	32%	0.315	S	S	.	.			trans	-109.9	162.8	-177.3	-58.8	175.8	-173.9	171	0	111	V128 I132 L135 E139 P246 Y247 A462	V128-K130 HydrophobicContact CG1-CG 4.41Å; K130-I132 PolarHBondContact O-N 2.65Å; K130-L135 HydrophobicContact CB-CD2 3.83Å; K130-L135 HydrophobicContact CD-CD2 3.89Å; K130-L135 HydrophobicContact CG-CD2 4.45Å; K130-E139 IonicContact NZ-OE1 3.98Å; K130-E139 PolarHBondContact NZ-OE1 3.11Å; K130-E139 IonicContact NZ-OE2 3.33Å; K130-P246 CarbonylContact O-C 3.52Å; K130-P246 VanDerWaalsContact O-CA 3.25Å; K130-P246 WeakPolarHBondContact O-CA 3.45Å; K130-P246 VanDerWaalsContact O-CB 3.3Å; K130-P246 WeakPolarHBondContact O-CB 3.42Å; K130-Y247 VanDerWaalsContact O-CD1 3.26Å; K130-Y247 WeakPolarHBondContact O-CD1 3.05Å; K130-Y247 PolarHBondContact O-N 2.86Å; K130-A462 HydrophobicContact CG-CB 4.13Å
131	N	98.2	Very high	96.1	Very high	30 Å²	30	63.1 Å²	63.1	16%	0.16	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-64.2	132.3	170.6	-170.7	-33.2	0	0	0	108.9	H133 S134 L135 Y247	N131-H133 PolarHBondContact O-N 2.64Å; N131-H133 VanDerWaalsContact O-N 3.15Å; N131-H133 PolarHBondContact OD1-N 3.36Å; N131-S134 PolarHBondContact N-OG 3.08Å; N131-S134 WeakPolarHBondContact O-CA 3.35Å; N131-S134 WeakPolarHBondContact O-CB 3.16Å; N131-S134 PolarHBondContact O-N 2.92Å; N131-S134 PolarHBondContact O-OG 3.18Å; N131-L135 PolarHBondContact O-N 3.08Å; N131-Y247 CarbonylContact C-O 3.18Å; N131-Y247 WeakPolarHBondContact CA-O 3.44Å; N131-Y247 HydrophobicContact CB-CD2 4.31Å; N131-Y247 HydrophobicContact CB-CE1 4.32Å; N131-Y247 HydrophobicContact CB-CE2 3.59Å; N131-Y247 VanDerWaalsContact N-CZ 3.32Å
132	I	98.1	Very high	96.1	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-54.7	-32.9	177.6	-168.5	167.7	0	0	0	112.6	K130 S134 L135 F143 P246 Y247 W248 V259 L264 L265 V400	K130-I132 PolarHBondContact O-N 2.65Å; I132-S134 VanDerWaalsContact C-N 3.29Å; I132-S134 PolarHBondContact O-N 3.29Å; I132-L135 HydrophobicContact CG1-CD1 4.45Å; I132-L135 PolarHBondContact O-N 3.28Å; I132-F143 HydrophobicContact CD1-CE1 4.36Å; I132-P246 HydrophobicContact CB-CB 4.16Å; I132-P246 HydrophobicContact CB-CG 4.4Å; I132-P246 HydrophobicContact CG1-CG 4.4Å; I132-Y247 PolarHBondContact N-O 3.43Å; I132-W248 HydrophobicContact CG2-CB 4.3Å; I132-V259 HydrophobicContact CG2-CG1 3.7Å; I132-L264 HydrophobicContact CD1-CD2 4.18Å; I132-L264 HydrophobicContact CG1-CD2 4.06Å; I132-L265 HydrophobicContact CD1-CD1 4.38Å; I132-L265 HydrophobicContact CD1-CG 4.4Å; I132-V400 HydrophobicContact CD1-CG1 4.22Å
133	H	96.9	Very high	96.2	Very high	88 Å²	88	57.3 Å²	57.3	41%	0.407	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-76.2	-13.4	176.5	-65.5	-71.5	0	0	0	114.3	N131 D258 V259	N131-H133 PolarHBondContact O-N 2.64Å; N131-H133 VanDerWaalsContact O-N 3.15Å; N131-H133 PolarHBondContact OD1-N 3.36Å; H133-D258 IonicContact NE2-OD1 2.67Å; H133-D258 IonicContact NE2-OD2 2.85Å; H133-V259 WeakPolarHBondContact NE2-CG1 3.39Å
134	S	97	Very high	96.4	Very high	76 Å²	76	52.2 Å²	52.2	53%	0.531	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-96.6	-5.9	177.5	69.2	0	0	0	0	113.6	N131 I132	N131-S134 PolarHBondContact N-OG 3.08Å; N131-S134 WeakPolarHBondContact O-CA 3.35Å; N131-S134 WeakPolarHBondContact O-CB 3.16Å; N131-S134 PolarHBondContact O-N 2.92Å; N131-S134 PolarHBondContact O-OG 3.18Å; I132-S134 VanDerWaalsContact C-N 3.29Å; I132-S134 PolarHBondContact O-N 3.29Å
135	L	97.6	Very high	96.6	Very high	26 Å²	26	54 Å²	54	14%	0.136	30%	0.295	C	S	.	.	S	Bend	trans	-70.2	149	178.6	-65.8	-174.3	0	0	0	111.5	K130 N131 I132 E139 I140 P246	K130-L135 HydrophobicContact CB-CD2 3.83Å; K130-L135 HydrophobicContact CD-CD2 3.89Å; K130-L135 HydrophobicContact CG-CD2 4.45Å; N131-L135 PolarHBondContact O-N 3.08Å; I132-L135 HydrophobicContact CG1-CD1 4.45Å; I132-L135 PolarHBondContact O-N 3.28Å; L135-E139 WeakPolarHBondContact CA-OE2 3.22Å; L135-E139 HydrophobicContact CB-CB 3.95Å; L135-E139 HydrophobicContact CD1-CB 4.4Å; L135-E139 HydrophobicContact CD2-CB 4.16Å; L135-E139 HydrophobicContact CG-CB 4.39Å; L135-I140 HydrophobicContact CB-CD1 4.26Å; L135-I140 HydrophobicContact CB-CG1 3.66Å; L135-I140 HydrophobicContact CD1-CG1 4.19Å; L135-P246 HydrophobicContact CD1-CB 3.9Å; L135-P246 HydrophobicContact CD1-CG 4.05Å
136	T	97.3	Very high	96.9	Very high	67 Å²	67	49.8 Å²	49.8	41%	0.411	27%	0.269	S	S	.	.			trans	-70.1	164.9	169.2	81.2	0	0	0	0	111	E138 E139 I140	T136-E138 WeakPolarHBondContact CB-OE2 3.43Å; T136-E138 PolarHBondContact O-N 3.33Å; T136-E138 PolarHBondContact OG1-N 3.41Å; T136-E138 PolarHBondContact OG1-OE2 3.21Å; T136-E139 PolarHBondContact N-OE2 3.23Å; T136-E139 PolarHBondContact O-N 3.46Å; T136-E139 PolarHBondContact OG1-N 3.49Å; T136-I140 WeakPolarHBondContact O-CG1 3.36Å; T136-I140 PolarHBondContact O-N 3.12Å
137	S	96.6	Very high	97.2	Very high	88 Å²	88	47 Å²	47	62%	0.615	25%	0.251	S	S	*	.	H	α-helix	trans	-60	-35	176.5	-59.4	0	0	0	0	112.2	Q141	S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 3.42Å
138	E	96.3	Very high	97.2	Very high	137 Å²	137	48 Å²	48	64%	0.64	26%	0.256	S	S	*	.	H	α-helix	trans	-67.9	-45.9	175.4	-58.6	73.5	-159.6	0	0	111.7	T136 I140 Q141 E142	T136-E138 WeakPolarHBondContact CB-OE2 3.43Å; T136-E138 PolarHBondContact O-N 3.33Å; T136-E138 PolarHBondContact OG1-N 3.41Å; T136-E138 PolarHBondContact OG1-OE2 3.21Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.26Å; E138-Q141 PolarHBondContact O-N 2.96Å; E138-E142 WeakPolarHBondContact O-CB 3.49Å; E138-E142 PolarHBondContact O-N 2.76Å
139	E	96.8	Very high	97.3	Very high	56 Å²	56	48.3 Å²	48.3	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-40	176.5	-71.8	177.9	137.5	0	0	111.4	K130 L135 T136 F143	K130-E139 IonicContact NZ-OE1 3.98Å; K130-E139 PolarHBondContact NZ-OE1 3.11Å; K130-E139 IonicContact NZ-OE2 3.33Å; L135-E139 WeakPolarHBondContact CA-OE2 3.22Å; L135-E139 HydrophobicContact CB-CB 3.95Å; L135-E139 HydrophobicContact CD1-CB 4.4Å; L135-E139 HydrophobicContact CD2-CB 4.16Å; L135-E139 HydrophobicContact CG-CB 4.39Å; T136-E139 PolarHBondContact N-OE2 3.23Å; T136-E139 PolarHBondContact O-N 3.46Å; T136-E139 PolarHBondContact OG1-N 3.49Å; E139-F143 WeakPolarHBondContact O-CB 3.5Å; E139-F143 PolarHBondContact O-N 2.59Å
140	I	97.4	Very high	97.3	Very high	26 Å²	26	48.3 Å²	48.3	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-49.1	174.6	-68.8	168.3	0	0	0	110.2	L135 T136 E138 E142 F143 L144 L264	L135-I140 HydrophobicContact CB-CD1 4.26Å; L135-I140 HydrophobicContact CB-CG1 3.66Å; L135-I140 HydrophobicContact CD1-CG1 4.19Å; T136-I140 WeakPolarHBondContact O-CG1 3.36Å; T136-I140 PolarHBondContact O-N 3.12Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.26Å; I140-E142 PolarHBondContact O-N 3Å; I140-F143 PolarHBondContact O-N 2.77Å; I140-L144 HydrophobicContact CG2-CD1 3.74Å; I140-L144 HydrophobicContact CG2-CG 4.19Å; I140-L144 VanDerWaalsContact O-CG 3.22Å; I140-L144 WeakPolarHBondContact O-CG 3.35Å; I140-L144 PolarHBondContact O-N 2.82Å; I140-L264 HydrophobicContact CD1-CD2 3.92Å; I140-L264 HydrophobicContact CG1-CD2 4.31Å; I140-L264 HydrophobicContact CG2-CD2 3.98Å
141	Q	96.6	Very high	97.2	Very high	84 Å²	84	45.7 Å²	45.7	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-42.7	179.9	-71.1	-52.9	-54.6	0	0	112.1	S137 E138 F143 L144 D145	S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 3.42Å; E138-Q141 PolarHBondContact O-N 2.96Å; Q141-F143 VanDerWaalsContact C-N 3.34Å; Q141-F143 PolarHBondContact O-N 2.83Å; Q141-L144 PolarHBondContact O-N 2.97Å; Q141-D145 VanDerWaalsContact O-CB 3.26Å; Q141-D145 WeakPolarHBondContact O-CB 3.41Å; Q141-D145 VanDerWaalsContact O-CG 3.28Å; Q141-D145 PolarHBondContact O-N 2.9Å
142	E	96.6	Very high	97.1	Very high	74 Å²	74	50 Å²	50	35%	0.346	27%	0.27	S	S	.	.	H	α-helix	trans	-56.5	-48.9	174.7	-176.2	-178.7	-169.9	0	0	110.7	E138 I140 L144 D145 V146 N240 F243	E138-E142 WeakPolarHBondContact O-CB 3.49Å; E138-E142 PolarHBondContact O-N 2.76Å; I140-E142 PolarHBondContact O-N 3Å; E142-L144 PolarHBondContact O-N 3.03Å; E142-D145 PolarHBondContact O-N 3.38Å; E142-V146 HydrophobicContact CG-CG2 4.32Å; E142-V146 VanDerWaalsContact O-CB 3.28Å; E142-V146 WeakPolarHBondContact O-CB 3.41Å; E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 2.95Å; E142-N240 PolarHBondContact OE1-ND2 2.71Å; E142-F243 HydrophobicContact CG-CD2 4.37Å; E142-F243 HydrophobicContact CG-CE2 4.48Å
143	F	97.5	Very high	97.1	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-49.5	177.9	175.3	-115.1	0	0	0	112.4	I132 E139 I140 Q141 V146 L147 F243 P246 L265 V400	I132-F143 HydrophobicContact CD1-CE1 4.36Å; E139-F143 WeakPolarHBondContact O-CB 3.5Å; E139-F143 PolarHBondContact O-N 2.59Å; I140-F143 PolarHBondContact O-N 2.77Å; Q141-F143 VanDerWaalsContact C-N 3.34Å; Q141-F143 PolarHBondContact O-N 2.83Å; F143-V146 PolarHBondContact O-N 2.84Å; F143-L147 HydrophobicContact CD2-CG 4.44Å; F143-L147 HydrophobicContact CE1-CD1 3.91Å; F143-L147 HydrophobicContact CE2-CD1 3.83Å; F143-L147 HydrophobicContact CE2-CD2 4.31Å; F143-L147 HydrophobicContact CE2-CG 4.05Å; F143-L147 HydrophobicContact CZ-CD1 3.51Å; F143-L147 HydrophobicContact CZ-CG 4.24Å; F143-L147 WeakPolarHBondContact O-CG 3.14Å; F143-L147 PolarHBondContact O-N 3.43Å; F143-L147 VanDerWaalsContact O-N 3.13Å; F143-F243 AromaticContact CD2-CZ 3.99Å; F143-F243 HydrophobicContact CD2-CZ 3.99Å; F143-P246 HydrophobicContact CD1-CG 4.01Å; F143-P246 HydrophobicContact CD2-CG 4.13Å; F143-P246 HydrophobicContact CE1-CG 3.87Å; F143-P246 HydrophobicContact CE2-CG 4.03Å; F143-P246 HydrophobicContact CG-CG 4.12Å; F143-P246 HydrophobicContact CZ-CG 3.88Å; F143-L265 HydrophobicContact CE1-CD2 4.33Å; F143-V400 HydrophobicContact CE1-CG1 4.28Å; F143-V400 HydrophobicContact CZ-CG1 4.09Å
144	L	97.4	Very high	97	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-39.7	-178.2	-63.5	179.4	0	0	0	112.6	I140 Q141 E142 D148 L264 L265 F282	I140-L144 HydrophobicContact CG2-CD1 3.74Å; I140-L144 HydrophobicContact CG2-CG 4.19Å; I140-L144 VanDerWaalsContact O-CG 3.22Å; I140-L144 WeakPolarHBondContact O-CG 3.35Å; I140-L144 PolarHBondContact O-N 2.82Å; Q141-L144 PolarHBondContact O-N 2.97Å; E142-L144 PolarHBondContact O-N 3.03Å; L144-D148 PolarHBondContact O-N 3.23Å; L144-L264 WeakPolarHBondContact CD2-O 3.3Å; L144-L265 HydrophobicContact CD2-CD2 4.03Å; L144-F282 HydrophobicContact CD2-CE2 3.64Å; L144-F282 HydrophobicContact CD2-CZ 3.61Å
145	D	96.4	Very high	97	Very high	71 Å²	71	48.9 Å²	48.9	38%	0.38	26%	0.262	S	S	.	.	H	α-helix	trans	-65.3	-45.5	177.2	-77.1	-25	0	0	0	110.9	Q141 E142 L147 D148 V149 R281	Q141-D145 VanDerWaalsContact O-CB 3.26Å; Q141-D145 WeakPolarHBondContact O-CB 3.41Å; Q141-D145 VanDerWaalsContact O-CG 3.28Å; Q141-D145 PolarHBondContact O-N 2.9Å; E142-D145 PolarHBondContact O-N 3.38Å; D145-L147 VanDerWaalsContact C-N 3.33Å; D145-L147 PolarHBondContact O-N 3.47Å; D145-D148 PolarHBondContact O-N 3.47Å; D145-V149 VanDerWaalsContact O-CG2 3.27Å; D145-V149 WeakPolarHBondContact O-CG2 3.32Å; D145-V149 PolarHBondContact O-N 3.21Å; D145-R281 IonicContact OD1-CZ 2.63Å; D145-R281 IonicContact OD1-NH1 3.97Å; D145-R281 PolarHBondContact OD1-NH1 3.03Å; D145-R281 IonicContact OD1-NH2 3.65Å; D145-R281 PolarHBondContact OD1-NH2 3.08Å
146	V	97.6	Very high	96.7	Very high	14 Å²	14	50.3 Å²	50.3	9%	0.085	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-40.5	-179.9	168.4	0	0	0	0	111.5	E142 F143 V149 A150 L233 L237 T238 F243	E142-V146 HydrophobicContact CG-CG2 4.32Å; E142-V146 VanDerWaalsContact O-CB 3.28Å; E142-V146 WeakPolarHBondContact O-CB 3.41Å; E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 2.95Å; F143-V146 PolarHBondContact O-N 2.84Å; V146-V149 PolarHBondContact O-N 3.07Å; V146-A150 VanDerWaalsContact O-CB 3.3Å; V146-A150 WeakPolarHBondContact O-CB 3.43Å; V146-A150 PolarHBondContact O-N 2.83Å; V146-L233 HydrophobicContact CG1-CB 3.94Å; V146-L233 HydrophobicContact CG1-CD1 4.18Å; V146-L233 HydrophobicContact CG1-CD2 3.84Å; V146-L233 HydrophobicContact CG1-CG 4.17Å; V146-L237 HydrophobicContact CG1-CB 4.48Å; V146-L237 HydrophobicContact CG1-CD1 4.29Å; V146-T238 HydrophobicContact CB-CG2 4.33Å; V146-T238 HydrophobicContact CG1-CG2 4.02Å; V146-T238 HydrophobicContact CG2-CG2 3.32Å; V146-F243 HydrophobicContact CB-CE2 4.01Å; V146-F243 HydrophobicContact CB-CZ 4.14Å; V146-F243 HydrophobicContact CG1-CE1 4.37Å; V146-F243 HydrophobicContact CG1-CE2 3.99Å; V146-F243 HydrophobicContact CG1-CZ 3.75Å; V146-F243 HydrophobicContact CG2-CE2 4.05Å
147	L	97.8	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-43.4	175.1	-71	-171.1	0	0	0	112.4	F143 D145 V149 A150 K151 Y184 L233 F282 W285 P396 L399	F143-L147 HydrophobicContact CD2-CG 4.44Å; F143-L147 HydrophobicContact CE1-CD1 3.91Å; F143-L147 HydrophobicContact CE2-CD1 3.83Å; F143-L147 HydrophobicContact CE2-CD2 4.31Å; F143-L147 HydrophobicContact CE2-CG 4.05Å; F143-L147 HydrophobicContact CZ-CD1 3.51Å; F143-L147 HydrophobicContact CZ-CG 4.24Å; F143-L147 WeakPolarHBondContact O-CG 3.14Å; F143-L147 PolarHBondContact O-N 3.43Å; F143-L147 VanDerWaalsContact O-N 3.13Å; D145-L147 VanDerWaalsContact C-N 3.33Å; D145-L147 PolarHBondContact O-N 3.47Å; L147-V149 VanDerWaalsContact C-N 3.35Å; L147-A150 WeakPolarHBondContact O-CB 3.32Å; L147-A150 PolarHBondContact O-N 2.82Å; L147-K151 PolarHBondContact O-N 2.88Å; L147-Y184 HydrophobicContact CD2-CD2 4.27Å; L147-Y184 HydrophobicContact CD2-CE2 4.19Å; L147-L233 HydrophobicContact CD2-CD1 4.04Å; L147-F282 HydrophobicContact CB-CE1 4.46Å; L147-F282 HydrophobicContact CD1-CZ 4.47Å; L147-W285 HydrophobicContact CB-CH2 4.11Å; L147-W285 HydrophobicContact CB-CZ2 4.17Å; L147-W285 WeakPolarHBondContact O-CZ2 3.27Å; L147-P396 HydrophobicContact CD1-CB 4.13Å; L147-L399 HydrophobicContact CD1-CD1 3.94Å; L147-L399 HydrophobicContact CD2-CD1 3.58Å; L147-L399 HydrophobicContact CG-CD1 4.43Å
148	D	96.6	Very high	96.3	Very high	25 Å²	25	44.7 Å²	44.7	13%	0.134	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-38.8	179.3	-159	37.3	0	0	0	111.5	L144 D145 K151 N152 R281 R284 W285	L144-D148 PolarHBondContact O-N 3.23Å; D145-D148 PolarHBondContact O-N 3.47Å; D148-K151 PolarHBondContact O-N 2.69Å; D148-N152 PolarHBondContact O-N 3.48Å; D148-N152 PolarHBondContact O-ND2 3.07Å; D148-R281 IonicContact OD2-NH1 3.79Å; D148-R284 IonicContact OD2-NH2 3.71Å; D148-W285 PolarHBondContact OD1-NE1 2.96Å
149	V	97.3	Very high	96.2	Very high	71 Å²	71	38.4 Å²	38.4	43%	0.43	20%	0.203	S	C	.	.	H	α-helix	trans	-63.6	-43.7	171.7	174.4	0	0	0	0	110.6	D145 V146 L147 K151 N152 T153 L237	D145-V149 VanDerWaalsContact O-CG2 3.27Å; D145-V149 WeakPolarHBondContact O-CG2 3.32Å; D145-V149 PolarHBondContact O-N 3.21Å; V146-V149 PolarHBondContact O-N 3.07Å; L147-V149 VanDerWaalsContact C-N 3.35Å; V149-K151 VanDerWaalsContact C-N 3.3Å; V149-K151 PolarHBondContact O-N 3.32Å; V149-N152 CarbonylContact O-C 3.3Å; V149-N152 PolarHBondContact O-N 3.42Å; V149-N152 VanDerWaalsContact O-N 3.09Å; V149-T153 VanDerWaalsContact O-CB 3.29Å; V149-T153 WeakPolarHBondContact O-CB 3.45Å; V149-T153 PolarHBondContact O-N 3.38Å; V149-T153 PolarHBondContact O-OG1 2.88Å; V149-L237 HydrophobicContact CG1-CD1 4.18Å; V149-L237 HydrophobicContact CG1-CD2 3.9Å
150	A	98	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-37.2	178.8	0	0	0	0	0	112.8	V146 L147 N152 I183 Y184 L233 L237	V146-A150 VanDerWaalsContact O-CB 3.3Å; V146-A150 WeakPolarHBondContact O-CB 3.43Å; V146-A150 PolarHBondContact O-N 2.83Å; L147-A150 WeakPolarHBondContact O-CB 3.32Å; L147-A150 PolarHBondContact O-N 2.82Å; A150-N152 PolarHBondContact O-N 3.18Å; A150-I183 HydrophobicContact CB-CB 4.3Å; A150-I183 HydrophobicContact CB-CG2 4.29Å; A150-I183 PolarHBondContact O-N 3.5Å; A150-Y184 PolarHBondContact O-N 3.39Å; A150-L233 HydrophobicContact CB-CD2 3.53Å; A150-L237 HydrophobicContact CB-CD1 3.54Å
151	K	97.6	Very high	96.1	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.065	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-27.3	175.7	-173.2	66.5	174.7	-166.6	0	113.2	L147 D148 V149 S182 Y184 D185 W285 G286	L147-K151 PolarHBondContact O-N 2.88Å; D148-K151 PolarHBondContact O-N 2.69Å; V149-K151 VanDerWaalsContact C-N 3.3Å; V149-K151 PolarHBondContact O-N 3.32Å; K151-S182 WeakPolarHBondContact O-CB 3.3Å; K151-S182 PolarHBondContact O-OG 3.24Å; K151-S182 VanDerWaalsContact O-OG 3.08Å; K151-Y184 HydrophobicContact CD-CD1 4.02Å; K151-Y184 HydrophobicContact CD-CG 4.33Å; K151-D185 WeakPolarHBondContact CE-OD1 3.13Å; K151-D185 IonicContact NZ-OD1 3.4Å; K151-D185 PolarHBondContact NZ-OD1 3.45Å; K151-D185 IonicContact NZ-OD2 3.91Å; K151-W285 HydrophobicContact CB-CD2 4.36Å; K151-W285 HydrophobicContact CB-CH2 4.2Å; K151-W285 HydrophobicContact CB-CZ2 3.7Å; K151-W285 HydrophobicContact CD-CD2 4.08Å; K151-W285 HydrophobicContact CD-CE3 4.03Å; K151-W285 HydrophobicContact CD-CZ3 4.3Å; K151-W285 HydrophobicContact CG-CD2 3.85Å; K151-W285 HydrophobicContact CG-CE3 4.3Å; K151-W285 HydrophobicContact CG-CG 4.18Å; K151-W285 HydrophobicContact CG-CZ2 4.13Å; K151-G286 VanDerWaalsContact CE-O 3.23Å; K151-G286 WeakPolarHBondContact CE-O 3.34Å; K151-G286 PolarHBondContact NZ-O 2.92Å
152	N	96.1	Very high	96	Very high	122 Å²	122	31.5 Å²	31.5	65%	0.652	17%	0.172	S	C	*	.	H	α-helix	trans	-107.4	-3.4	-176.5	-66.6	-74	0	0	0	113.7	D148 V149 A150	D148-N152 PolarHBondContact O-N 3.48Å; D148-N152 PolarHBondContact O-ND2 3.07Å; V149-N152 CarbonylContact O-C 3.3Å; V149-N152 PolarHBondContact O-N 3.42Å; V149-N152 VanDerWaalsContact O-N 3.09Å; A150-N152 PolarHBondContact O-N 3.18Å
153	T	97	Very high	95.7	Very high	48 Å²	48	30.9 Å²	30.9	29%	0.294	17%	0.168	S	C	.	.	S	Bend	trans	-100.1	119.9	-180	-58.5	0	0	0	0	110	V149 H155 S182 I183 L237	V149-T153 VanDerWaalsContact O-CB 3.29Å; V149-T153 WeakPolarHBondContact O-CB 3.45Å; V149-T153 PolarHBondContact O-N 3.38Å; V149-T153 PolarHBondContact O-OG1 2.88Å; T153-H155 PolarHBondContact O-N 2.97Å; T153-S182 CarbonylContact O-C 3.19Å; T153-S182 WeakPolarHBondContact O-CA 3.29Å; T153-S182 WeakPolarHBondContact O-CB 3.41Å; T153-I183 HydrophobicContact CG2-CD1 3.97Å; T153-I183 PolarHBondContact O-N 2.82Å; T153-L237 HydrophobicContact CG2-CD2 4.12Å
154	I	96.4	Very high	95.4	Very high	91 Å²	91	31.8 Å²	31.8	47%	0.467	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-60.6	133.4	175.1	-60.9	-59.1	0	0	0	110.1	N180	I154-N180 HydrophobicContact CD1-CB 4.43Å; I154-N180 HydrophobicContact CG2-CB 4.04Å
155	H	95.7	Very high	95	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-60.8	127.8	178.1	-163.2	-43.3	0	0	0	109.9	T153 D157 Y158 I181 I183 F186 E232	T153-H155 PolarHBondContact O-N 2.97Å; H155-D157 PolarHBondContact ND1-N 2.73Å; H155-Y158 WeakPolarHBondContact CB-O 3.33Å; H155-Y158 AromaticContact CE1-CD2 3.41Å; H155-Y158 VanDerWaalsContact CE1-CD2 3.41Å; H155-Y158 WeakPolarHBondContact CE1-CD2 3.33Å; H155-Y158 AromaticContact ND1-CD2 3.92Å; H155-Y158 PolarHBondContact ND1-N 3.21Å; H155-Y158 AromaticContact NE2-CD2 3.73Å; H155-I181 PolarHBondContact N-O 2.63Å; H155-I183 HydrophobicContact CB-CG1 4.32Å; H155-F186 AromaticContact CD2-CD1 3.45Å; H155-F186 VanDerWaalsContact CD2-CD1 3.45Å; H155-F186 WeakPolarHBondContact CD2-CD1 3.44Å; H155-F186 AromaticContact CD2-CG 3.78Å; H155-F186 AromaticContact NE2-CD1 3.77Å; H155-E232 IonicContact CE1-OE2 3.05Å
156	P	91.8	Very high	94.7	Very high	56 Å²	56	36.6 Å²	36.6	36%	0.364	20%	0.195	S	C	.	.	S	Bend	trans	-81	-24.2	-171.6	28.7	-37.3	0	0	0	115.6	R236	P156-R236 HydrophobicContact CG-CG 4.36Å
157	D	91.7	Very high	94.4	Very high	18 Å²	18	37.2 Å²	37.2	10%	0.096	20%	0.204	C	C	.	.	S	Bend	trans	-112.3	-27.4	-179.2	-59.1	-73.8	0	0	0	114.6	E24 P28 R29 Y106 H155 R236	E24-D157 VanDerWaalsContact OE2-CA 3.26Å; E24-D157 WeakPolarHBondContact OE2-CA 3.15Å; E24-D157 PolarHBondContact OE2-N 2.84Å; P28-D157 CarbonylContact C-O 3.58Å; P28-D157 WeakPolarHBondContact CA-O 3.37Å; R29-D157 PolarHBondContact N-O 3.03Å; Y106-D157 HydrophobicContact CE1-CB 3.7Å; Y106-D157 PolarHBondContact OH-OD1 2.79Å; H155-D157 PolarHBondContact ND1-N 2.73Å; D157-R236 IonicContact OD1-NH2 3.9Å; D157-R236 IonicContact OD2-CZ 2.69Å; D157-R236 IonicContact OD2-NE 2.65Å; D157-R236 IonicContact OD2-NH2 2.63Å; D157-R236 PolarHBondContact OD2-NH2 3.09Å
158	Y	94.1	Very high	94.1	Very high	20 Å²	20	37.5 Å²	37.5	8%	0.078	21%	0.206	C	C	.	.			trans	-120.9	170.6	-174.8	-58.3	-91	0	0	0	110.8	E24 A25 Q26 P28 Y106 H155 F186 F442	E24-Y158 PolarHBondContact OE2-N 3.2Å; E24-Y158 VanDerWaalsContact OE2-N 3.15Å; A25-Y158 CarbonylContact O-C 3.57Å; A25-Y158 WeakPolarHBondContact O-CA 3.25Å; Q26-Y158 VanDerWaalsContact O-CD1 3.32Å; Q26-Y158 WeakPolarHBondContact O-CD1 3.48Å; P28-Y158 HydrophobicContact CG-CE1 4.19Å; Y106-Y158 HydrophobicContact CD1-CE2 4.36Å; H155-Y158 WeakPolarHBondContact CB-O 3.33Å; H155-Y158 AromaticContact CE1-CD2 3.41Å; H155-Y158 VanDerWaalsContact CE1-CD2 3.41Å; H155-Y158 WeakPolarHBondContact CE1-CD2 3.33Å; H155-Y158 AromaticContact ND1-CD2 3.92Å; H155-Y158 PolarHBondContact ND1-N 3.21Å; H155-Y158 AromaticContact NE2-CD2 3.73Å; Y158-F186 HydrophobicContact CD1-CE1 4.47Å; Y158-F186 AromaticContact CD1-CZ 3.91Å; Y158-F186 HydrophobicContact CD1-CZ 3.91Å; Y158-F186 HydrophobicContact CD2-CE1 4.16Å; Y158-F186 HydrophobicContact CD2-CZ 4.36Å; Y158-F186 AromaticContact CG-CE1 3.95Å; Y158-F186 HydrophobicContact CG-CE1 3.95Å; Y158-F186 HydrophobicContact CG-CE2 4.42Å; Y158-F186 AromaticContact CG-CZ 3.71Å; Y158-F186 HydrophobicContact CG-CZ 3.71Å; Y158-F442 HydrophobicContact CE1-CB 4.37Å; Y158-F442 WeakPolarHBondContact CE1-O 3.48Å; Y158-F442 PolarHBondContact OH-O 2.73Å
159	M	94.3	Very high	93.9	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.025	21%	0.206	C	C	.	.			trans	-161.9	-158.1	-170.5	-94.7	-144.5	-178.2	0	0	104.1	A23 E24 A25 Q26 F178 A179 N180 F186	A23-M159 HydrophobicContact CB-CE 3.6Å; E24-M159 VanDerWaalsContact CA-SD 3.6Å; E24-M159 HydrophobicContact CB-CB 3.57Å; E24-M159 HydrophobicContact CB-CG 3.39Å; E24-M159 HydrophobicContact CB-SD 4.33Å; E24-M159 HydrophobicContact CG-CG 3.91Å; E24-M159 VanDerWaalsContact N-CG 3.34Å; E24-M159 PolarHBondContact N-SD 3.16Å; E24-M159 WeakPolarHBondContact O-CB 3.25Å; E24-M159 WeakPolarHBondContact O-CG 3.11Å; A25-M159 VanDerWaalsContact C-CA 3.48Å; A25-M159 CarbonylContact C-O 3.34Å; A25-M159 VanDerWaalsContact CA-C 3.46Å; A25-M159 CarbonylContact O-C 3.54Å; A25-M159 VanDerWaalsContact O-C 3.23Å; A25-M159 WeakPolarHBondContact O-CA 3.23Å; A25-M159 PolarHBondContact O-N 3.03Å; Q26-M159 WeakPolarHBondContact CA-O 3.43Å; Q26-M159 PolarHBondContact N-O 3.39Å; M159-F178 HydrophobicContact SD-CB 4.14Å; M159-A179 WeakPolarHBondContact CA-O 3.23Å; M159-A179 WeakPolarHBondContact CB-O 3.48Å; M159-A179 VanDerWaalsContact CG-O 3.3Å; M159-A179 WeakPolarHBondContact CG-O 3.46Å; M159-N180 HydrophobicContact CE-CB 4.18Å; M159-N180 WeakPolarHBondContact CE-OD1 3.32Å; M159-N180 HydrophobicContact CG-CB 4.45Å; M159-N180 WeakPolarHBondContact CG-OD1 2.92Å; M159-N180 PolarHBondContact SD-N 3.09Å; M159-F186 WeakPolarHBondContact O-CE2 3.21Å
160	I	96.3	Very high	93.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.3	180	50.1	160.2	0	0	0	112.6	F178 A179 I181 F186 W189	I160-F178 CarbonylContact O-C 3.42Å; I160-F178 WeakPolarHBondContact O-CA 3.3Å; I160-F178 WeakPolarHBondContact O-CB 3.49Å; I160-A179 HydrophobicContact CG1-CB 4.22Å; I160-A179 WeakPolarHBondContact CG1-O 3.38Å; I160-A179 PolarHBondContact N-O 3.44Å; I160-A179 PolarHBondContact O-N 2.84Å; I160-I181 HydrophobicContact CD1-CB 4.45Å; I160-I181 HydrophobicContact CD1-CD1 3.66Å; I160-I181 HydrophobicContact CG1-CB 4.23Å; I160-I181 HydrophobicContact CG1-CD1 4.16Å; I160-I181 HydrophobicContact CG1-CG2 4.45Å; I160-I181 HydrophobicContact CG2-CB 4.39Å; I160-I181 HydrophobicContact CG2-CD1 3.85Å; I160-I181 HydrophobicContact CG2-CG2 3.89Å; I160-F186 HydrophobicContact CG2-CD2 4.05Å; I160-F186 HydrophobicContact CG2-CE2 4.45Å; I160-W189 HydrophobicContact CB-CD2 3.87Å; I160-W189 HydrophobicContact CB-CE3 4.5Å; I160-W189 HydrophobicContact CB-CG 4.07Å; I160-W189 HydrophobicContact CB-CZ2 4.09Å; I160-W189 HydrophobicContact CD1-CG 4.32Å; I160-W189 HydrophobicContact CG2-CB 3.87Å; I160-W189 HydrophobicContact CG2-CD2 3.35Å; I160-W189 HydrophobicContact CG2-CE3 3.81Å; I160-W189 HydrophobicContact CG2-CG 3.38Å; I160-W189 HydrophobicContact CG2-CZ2 4.42Å
161	A	95	Very high	93.1	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.2	170.4	0	0	0	0	0	110	L168 F178 W189 L301	A161-L168 HydrophobicContact CB-CD2 4.2Å; A161-F178 VanDerWaalsContact CA-CD1 3.42Å; A161-F178 HydrophobicContact CB-CD1 3.82Å; A161-F178 HydrophobicContact CB-CE1 3.69Å; A161-W189 HydrophobicContact CB-CZ2 4.41Å; A161-W189 WeakPolarHBondContact O-CZ2 3.19Å; A161-L301 HydrophobicContact CB-CD1 3.92Å; A161-L301 WeakPolarHBondContact O-CB 3.15Å
162	T	93.9	Very high	92.7	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.117	27%	0.267	C	S	.	.			trans	-103	-10.7	179.4	63.5	0	0	0	0	112.7	Q177 A179 L301 N303	T162-Q177 PolarHBondContact N-O 3.03Å; T162-Q177 VanDerWaalsContact N-O 3.12Å; T162-Q177 PolarHBondContact OG1-O 2.92Å; T162-A179 HydrophobicContact CG2-CB 3.52Å; T162-L301 PolarHBondContact O-N 3.4Å; T162-N303 HydrophobicContact CG2-CB 3.82Å
163	Q	92	Very high	92.4	Very high	60 Å²	60	42.2 Å²	42.2	28%	0.28	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-127.3	156.4	-175.9	-63.6	-62.2	-27.7	0	0	111.4	Q177 L301	Q163-Q177 HydrophobicContact CB-CB 3.86Å; Q163-Q177 HydrophobicContact CB-CG 4.32Å; Q163-Q177 HydrophobicContact CG-CB 3.55Å; Q163-Q177 HydrophobicContact CG-CG 3.8Å; Q163-L301 WeakPolarHBondContact O-CD1 3.21Å
164	H	90.1	Very high	92.1	Very high	23 Å²	23	44.1 Å²	44.1	11%	0.106	26%	0.257	C	S	.	.			trans	-54.2	150.1	170.3	-173.3	-93.6	0	0	0	111.9	L166 G167 L168 V299	H164-L166 PolarHBondContact ND1-N 3.24Å; H164-L166 PolarHBondContact O-N 3.31Å; H164-G167 WeakPolarHBondContact O-CA 3.12Å; H164-G167 PolarHBondContact O-N 2.98Å; H164-L168 PolarHBondContact O-N 3.34Å; H164-V299 HydrophobicContact CB-CG1 4.39Å
165	W	89.4	Confident	91.9	Very high	36 Å²	36	45.8 Å²	45.8	14%	0.136	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58	-26	-172.4	72.1	88.3	0	0	0	114.5	V82 D84 K91 F92 G167 L168	V82-W165 VanDerWaalsContact C-CH2 3.48Å; V82-W165 WeakPolarHBondContact O-CH2 3.45Å; D84-W165 HydrophobicContact CB-CB 4.05Å; D84-W165 HydrophobicContact CB-CD2 3.71Å; D84-W165 HydrophobicContact CB-CE3 3.21Å; D84-W165 HydrophobicContact CB-CG 4.08Å; D84-W165 HydrophobicContact CB-CZ3 3.87Å; D84-W165 VanDerWaalsContact CG-CE3 3.44Å; D84-W165 VanDerWaalsContact N-CZ3 3.28Å; K91-W165 HydrophobicContact CB-CB 4.43Å; K91-W165 HydrophobicContact CB-CG 4.27Å; K91-W165 HydrophobicContact CG-CG 4.49Å; F92-W165 HydrophobicContact CE1-CB 4.05Å; F92-W165 HydrophobicContact CZ-CB 4.01Å; W165-G167 VanDerWaalsContact C-N 3.3Å; W165-L168 HydrophobicContact CB-CD1 4.27Å; W165-L168 WeakPolarHBondContact O-CD1 3.44Å; W165-L168 WeakPolarHBondContact O-CG 3.29Å
166	L	90.6	Very high	91.7	Very high	142 Å²	142	47.5 Å²	47.5	74%	0.743	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-71.5	-24.4	175.1	-63.6	175.9	0	0	0	113.2	H164	H164-L166 PolarHBondContact ND1-N 3.24Å; H164-L166 PolarHBondContact O-N 3.31Å
167	G	90.5	Very high	91.9	Very high	27 Å²	27	46.7 Å²	46.7	28%	0.278	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-104.8	10.5	-176.4	0	0	0	0	0	114.4	H164 W165 L169 G170 Q177	H164-G167 WeakPolarHBondContact O-CA 3.12Å; H164-G167 PolarHBondContact O-N 2.98Å; W165-G167 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 2.91Å; G167-G170 PolarHBondContact O-N 3.32Å; G167-Q177 VanDerWaalsContact O-CG 3.28Å; G167-Q177 WeakPolarHBondContact O-CG 2.99Å
168	L	91	Very high	92	Very high	7 Å²	7	47 Å²	47	4%	0.037	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.3	-172.4	-68.6	169.4	0	0	0	115.2	I37 F92 A161 H164 W165 P176 Q177 F178	I37-L168 HydrophobicContact CG2-CB 4.42Å; F92-L168 HydrophobicContact CD1-CD1 3.37Å; F92-L168 HydrophobicContact CE1-CD1 3.47Å; F92-L168 VanDerWaalsContact CE1-CD1 3.47Å; F92-L168 HydrophobicContact CE1-CD2 4.06Å; F92-L168 HydrophobicContact CE1-CG 4.3Å; A161-L168 HydrophobicContact CB-CD2 4.2Å; H164-L168 PolarHBondContact O-N 3.34Å; W165-L168 HydrophobicContact CB-CD1 4.27Å; W165-L168 WeakPolarHBondContact O-CD1 3.44Å; W165-L168 WeakPolarHBondContact O-CG 3.29Å; L168-P176 CarbonylContact O-C 3.53Å; L168-P176 VanDerWaalsContact O-CA 3.25Å; L168-P176 WeakPolarHBondContact O-CA 3.27Å; L168-Q177 PolarHBondContact O-N 2.71Å; L168-F178 HydrophobicContact CD2-CE1 4.03Å; L168-F178 HydrophobicContact CD2-CZ 3.82Å
169	L	92.8	Very high	92.1	Very high	27 Å²	27	47.2 Å²	47.2	14%	0.141	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	13.2	178.4	-64.3	179.6	0	0	0	113	V34 I37 R38 G167 G173 T174 E175 P176	V34-L169 HydrophobicContact CB-CD2 4.46Å; V34-L169 HydrophobicContact CG2-CD2 4.26Å; I37-L169 HydrophobicContact CB-CD2 4.08Å; I37-L169 HydrophobicContact CB-CG 4.47Å; I37-L169 HydrophobicContact CD1-CD2 3.59Å; I37-L169 HydrophobicContact CG1-CD2 4.46Å; I37-L169 HydrophobicContact CG2-CD1 4.1Å; I37-L169 HydrophobicContact CG2-CD2 4.05Å; I37-L169 HydrophobicContact CG2-CG 3.94Å; R38-L169 HydrophobicContact CG-CD1 3.84Å; G167-L169 PolarHBondContact O-N 2.91Å; L169-G173 CarbonylContact O-C 3.58Å; L169-G173 VanDerWaalsContact O-CA 3.23Å; L169-G173 WeakPolarHBondContact O-CA 3.48Å; L169-G173 PolarHBondContact O-N 2.86Å; L169-T174 PolarHBondContact O-N 2.95Å; L169-T174 VanDerWaalsContact O-N 3.09Å; L169-E175 CarbonylContact C-O 3.48Å; L169-E175 VanDerWaalsContact CA-O 3.25Å; L169-E175 WeakPolarHBondContact CA-O 3.19Å; L169-E175 PolarHBondContact O-N 2.84Å; L169-P176 HydrophobicContact CD2-CG 4.25Å
170	G	90.1	Very high	92.1	Very high	18 Å²	18	50.8 Å²	50.8	19%	0.186	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	-178.4	-175.8	0	0	0	0	0	112.9	G167 N172 G173 E175	G167-G170 PolarHBondContact O-N 3.32Å; G170-N172 VanDerWaalsContact C-N 3.27Å; G170-N172 PolarHBondContact O-N 3.4Å; G170-G173 PolarHBondContact O-N 3.31Å; G170-E175 PolarHBondContact N-O 3.47Å
171	P	89.7	Confident	92.1	Very high	129 Å²	129	51 Å²	51	84%	0.838	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.4	-176	25.1	-33.9	0	0	0	113.2
172	N	88.8	Confident	92.2	Very high	138 Å²	138	51.2 Å²	51.2	74%	0.738	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-5	-178.7	-62.9	-21.7	0	0	0	113	G170 T174	G170-N172 VanDerWaalsContact C-N 3.27Å; G170-N172 PolarHBondContact O-N 3.4Å; N172-T174 PolarHBondContact O-N 2.92Å
173	G	88.9	Confident	92.4	Very high	19 Å²	19	50.4 Å²	50.4	20%	0.196	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	16.7	179.5	0	0	0	0	0	114.7	R38 L169 G170	R38-G173 PolarHBondContact NH2-O 2.98Å; L169-G173 CarbonylContact O-C 3.58Å; L169-G173 VanDerWaalsContact O-CA 3.23Å; L169-G173 WeakPolarHBondContact O-CA 3.48Å; L169-G173 PolarHBondContact O-N 2.86Å; G170-G173 PolarHBondContact O-N 3.31Å
174	T	90.5	Very high	92.7	Very high	89 Å²	89	47.6 Å²	47.6	55%	0.546	28%	0.275	S	S	.	.			trans	-122	-4.4	-173.8	54.7	0	0	0	0	113.9	V34 L169 N172	V34-T174 VanDerWaalsContact CG2-O 3.25Å; V34-T174 WeakPolarHBondContact CG2-O 3.39Å; L169-T174 PolarHBondContact O-N 2.95Å; L169-T174 VanDerWaalsContact O-N 3.09Å; N172-T174 PolarHBondContact O-N 2.92Å
175	E	92	Very high	93.1	Very high	126 Å²	126	47.3 Å²	47.3	59%	0.589	27%	0.274	S	S	*	.	S	Bend	trans	-128.1	102.3	-171.1	-171.5	176.3	-170.4	0	0	111.2	L169 G170 Q177	L169-E175 CarbonylContact C-O 3.48Å; L169-E175 VanDerWaalsContact CA-O 3.25Å; L169-E175 WeakPolarHBondContact CA-O 3.19Å; L169-E175 PolarHBondContact O-N 2.84Å; G170-E175 PolarHBondContact N-O 3.47Å; E175-Q177 PolarHBondContact O-N 3.04Å; E175-Q177 PolarHBondContact O-NE2 3.28Å
176	P	93.2	Very high	93.5	Very high	36 Å²	36	46.1 Å²	46.1	23%	0.234	27%	0.27	C	S	.	.			trans	-56.4	125.3	176.1	-25.3	36.1	0	0	0	112.2	C32 V34 I37 L168 L169 F178	C32-P176 WeakPolarHBondContact O-CB 3.36Å; V34-P176 HydrophobicContact CG2-CG 3.89Å; I37-P176 HydrophobicContact CD1-CB 4.13Å; I37-P176 HydrophobicContact CD1-CG 4.43Å; L168-P176 CarbonylContact O-C 3.53Å; L168-P176 VanDerWaalsContact O-CA 3.25Å; L168-P176 WeakPolarHBondContact O-CA 3.27Å; L169-P176 HydrophobicContact CD2-CG 4.25Å; P176-F178 HydrophobicContact CB-CD2 3.61Å; P176-F178 HydrophobicContact CB-CE2 3.84Å; P176-F178 PolarHBondContact O-N 2.98Å
177	Q	94.8	Very high	93.9	Very high	40 Å²	40	39.5 Å²	39.5	19%	0.187	24%	0.235	C	C	.	.			trans	-93.4	73.3	-175.4	-61.8	-62	-61.6	0	0	111.5	T162 Q163 G167 L168 E175	T162-Q177 PolarHBondContact N-O 3.03Å; T162-Q177 VanDerWaalsContact N-O 3.12Å; T162-Q177 PolarHBondContact OG1-O 2.92Å; Q163-Q177 HydrophobicContact CB-CB 3.86Å; Q163-Q177 HydrophobicContact CB-CG 4.32Å; Q163-Q177 HydrophobicContact CG-CB 3.55Å; Q163-Q177 HydrophobicContact CG-CG 3.8Å; G167-Q177 VanDerWaalsContact O-CG 3.28Å; G167-Q177 WeakPolarHBondContact O-CG 2.99Å; L168-Q177 PolarHBondContact O-N 2.71Å; E175-Q177 PolarHBondContact O-N 3.04Å; E175-Q177 PolarHBondContact O-NE2 3.28Å
178	F	94.4	Very high	94.3	Very high	25 Å²	25	38.2 Å²	38.2	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.3	-178.7	-56	-81.4	0	0	0	112.2	E24 A25 C32 I37 M159 I160 A161 L168 P176	E24-F178 WeakPolarHBondContact O-CB 3.48Å; A25-F178 HydrophobicContact CB-CB 4.06Å; A25-F178 HydrophobicContact CB-CD1 2.89Å; A25-F178 HydrophobicContact CB-CD2 4.26Å; A25-F178 HydrophobicContact CB-CE1 3.13Å; A25-F178 HydrophobicContact CB-CE2 4.49Å; A25-F178 HydrophobicContact CB-CG 3.48Å; A25-F178 VanDerWaalsContact CB-CG 3.48Å; A25-F178 HydrophobicContact CB-CZ 3.97Å; C32-F178 HydrophobicContact CB-CD2 4.16Å; C32-F178 HydrophobicContact CB-CE2 4.36Å; C32-F178 HydrophobicContact CB-CG 4.48Å; I37-F178 HydrophobicContact CD1-CE2 3.48Å; I37-F178 VanDerWaalsContact CD1-CE2 3.48Å; I37-F178 HydrophobicContact CD1-CZ 3.97Å; I37-F178 HydrophobicContact CG1-CE2 4.5Å; M159-F178 HydrophobicContact SD-CB 4.14Å; I160-F178 CarbonylContact O-C 3.42Å; I160-F178 WeakPolarHBondContact O-CA 3.3Å; I160-F178 WeakPolarHBondContact O-CB 3.49Å; A161-F178 VanDerWaalsContact CA-CD1 3.42Å; A161-F178 HydrophobicContact CB-CD1 3.82Å; A161-F178 HydrophobicContact CB-CE1 3.69Å; L168-F178 HydrophobicContact CD2-CE1 4.03Å; L168-F178 HydrophobicContact CD2-CZ 3.82Å; P176-F178 HydrophobicContact CB-CD2 3.61Å; P176-F178 HydrophobicContact CB-CE2 3.84Å; P176-F178 PolarHBondContact O-N 2.98Å
179	A	94.9	Very high	94.6	Very high	23 Å²	23	38 Å²	38	19%	0.19	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.1	-177.3	0	0	0	0	0	112.4	M159 I160 T162	M159-A179 WeakPolarHBondContact CA-O 3.23Å; M159-A179 WeakPolarHBondContact CB-O 3.48Å; M159-A179 VanDerWaalsContact CG-O 3.3Å; M159-A179 WeakPolarHBondContact CG-O 3.46Å; I160-A179 HydrophobicContact CG1-CB 4.22Å; I160-A179 WeakPolarHBondContact CG1-O 3.38Å; I160-A179 PolarHBondContact N-O 3.44Å; I160-A179 PolarHBondContact O-N 2.84Å; T162-A179 HydrophobicContact CG2-CB 3.52Å
180	N	95.6	Very high	94.8	Very high	80 Å²	80	37.2 Å²	37.2	43%	0.428	22%	0.216	S	C	.	.			trans	-64.6	146.2	170.1	-68.6	-57.4	0	0	0	110.1	R29 I154 M159	R29-N180 PolarHBondContact NH1-OD1 2.63Å; R29-N180 PolarHBondContact NH2-OD1 3.03Å; I154-N180 HydrophobicContact CD1-CB 4.43Å; I154-N180 HydrophobicContact CG2-CB 4.04Å; M159-N180 HydrophobicContact CE-CB 4.18Å; M159-N180 WeakPolarHBondContact CE-OD1 3.32Å; M159-N180 HydrophobicContact CG-CB 4.45Å; M159-N180 WeakPolarHBondContact CG-OD1 2.92Å; M159-N180 PolarHBondContact SD-N 3.09Å
181	I	96.3	Very high	95.2	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	21%	0.208	C	C	.	.			trans	-142.8	155.6	177.8	-166.1	155.4	0	0	0	109.6	H155 I160 D185 F186 W189	H155-I181 PolarHBondContact N-O 2.63Å; I160-I181 HydrophobicContact CD1-CB 4.45Å; I160-I181 HydrophobicContact CD1-CD1 3.66Å; I160-I181 HydrophobicContact CG1-CB 4.23Å; I160-I181 HydrophobicContact CG1-CD1 4.16Å; I160-I181 HydrophobicContact CG1-CG2 4.45Å; I160-I181 HydrophobicContact CG2-CB 4.39Å; I160-I181 HydrophobicContact CG2-CD1 3.85Å; I160-I181 HydrophobicContact CG2-CG2 3.89Å; I181-D185 VanDerWaalsContact CD1-C 3.43Å; I181-D185 HydrophobicContact CD1-CB 3.64Å; I181-D185 VanDerWaalsContact CD1-O 3.27Å; I181-D185 WeakPolarHBondContact CD1-O 3.41Å; I181-D185 HydrophobicContact CG1-CB 3.25Å; I181-F186 HydrophobicContact CG2-CB 3.77Å; I181-F186 HydrophobicContact CG2-CD2 3.99Å; I181-F186 HydrophobicContact CG2-CG 4.32Å; I181-W189 HydrophobicContact CD1-CB 3.93Å; I181-W189 HydrophobicContact CD1-CG 4.44Å
182	S	97.6	Very high	95.6	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.049	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-71.5	163.8	173.8	76.4	0	0	0	0	111.6	K151 T153 Y184 D185 F186	K151-S182 WeakPolarHBondContact O-CB 3.3Å; K151-S182 PolarHBondContact O-OG 3.24Å; K151-S182 VanDerWaalsContact O-OG 3.08Å; T153-S182 CarbonylContact O-C 3.19Å; T153-S182 WeakPolarHBondContact O-CA 3.29Å; T153-S182 WeakPolarHBondContact O-CB 3.41Å; S182-Y184 VanDerWaalsContact C-N 3.29Å; S182-Y184 PolarHBondContact O-N 3.01Å; S182-D185 PolarHBondContact O-N 3.31Å; S182-D185 WeakPolarHBondContact OG-CB 3.34Å; S182-D185 PolarHBondContact OG-N 2.88Å; S182-D185 PolarHBondContact OG-OD2 3.11Å; S182-F186 VanDerWaalsContact O-CB 3.32Å; S182-F186 WeakPolarHBondContact O-CB 3.47Å; S182-F186 PolarHBondContact O-N 3.23Å
183	I	97.7	Very high	96	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-57.9	-45.2	176.2	-66.9	170.2	0	0	0	110.2	A150 T153 H155 F187 L229 E232 L233 R236 L237	A150-I183 HydrophobicContact CB-CB 4.3Å; A150-I183 HydrophobicContact CB-CG2 4.29Å; A150-I183 PolarHBondContact O-N 3.5Å; T153-I183 HydrophobicContact CG2-CD1 3.97Å; T153-I183 PolarHBondContact O-N 2.82Å; H155-I183 HydrophobicContact CB-CG1 4.32Å; I183-F187 PolarHBondContact O-N 3.45Å; I183-L229 HydrophobicContact CG2-CD1 4Å; I183-E232 HydrophobicContact CG2-CB 4.07Å; I183-L233 HydrophobicContact CG2-CD2 4.5Å; I183-R236 HydrophobicContact CD1-CB 4.21Å; I183-L237 HydrophobicContact CD1-CD1 4.31Å; I183-L237 HydrophobicContact CD1-CD2 3.91Å; I183-L237 HydrophobicContact CD1-CG 4.19Å
184	Y	98.4	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-71.9	-41.4	178.9	-165.8	-80.4	0	0	0	112	L147 A150 K151 S182 F186 F187 V188 W285 A393 P396 L399	L147-Y184 HydrophobicContact CD2-CD2 4.27Å; L147-Y184 HydrophobicContact CD2-CE2 4.19Å; A150-Y184 PolarHBondContact O-N 3.39Å; K151-Y184 HydrophobicContact CD-CD1 4.02Å; K151-Y184 HydrophobicContact CD-CG 4.33Å; S182-Y184 VanDerWaalsContact C-N 3.29Å; S182-Y184 PolarHBondContact O-N 3.01Å; Y184-F186 PolarHBondContact O-N 2.98Å; Y184-F187 VanDerWaalsContact O-CB 3.28Å; Y184-F187 WeakPolarHBondContact O-CB 3.42Å; Y184-F187 PolarHBondContact O-N 2.9Å; Y184-F187 VanDerWaalsContact O-N 3.11Å; Y184-V188 HydrophobicContact CD1-CG2 3.86Å; Y184-V188 HydrophobicContact CE1-CG2 3.68Å; Y184-V188 WeakPolarHBondContact O-CG2 3.34Å; Y184-V188 PolarHBondContact O-N 3.37Å; Y184-W285 HydrophobicContact CD1-CH2 4.23Å; Y184-W285 AromaticContact CD1-CZ3 3.78Å; Y184-W285 HydrophobicContact CD1-CZ3 3.78Å; Y184-W285 AromaticContact CD2-CH2 3.83Å; Y184-W285 HydrophobicContact CD2-CH2 3.83Å; Y184-W285 HydrophobicContact CD2-CZ3 4.11Å; Y184-W285 HydrophobicContact CE1-CE3 4.36Å; Y184-W285 HydrophobicContact CE1-CH2 4.22Å; Y184-W285 AromaticContact CE1-CZ3 3.51Å; Y184-W285 HydrophobicContact CE1-CZ3 3.51Å; Y184-W285 AromaticContact CE2-CH2 3.77Å; Y184-W285 HydrophobicContact CE2-CH2 3.77Å; Y184-W285 AromaticContact CE2-CZ3 3.83Å; Y184-W285 HydrophobicContact CE2-CZ3 3.83Å; Y184-W285 HydrophobicContact CG-CH2 4.06Å; Y184-W285 HydrophobicContact CG-CZ3 4.1Å; Y184-W285 AromaticContact CZ-CZ3 3.55Å; Y184-A393 WeakPolarHBondContact CE1-O 3.36Å; Y184-A393 PolarHBondContact OH-O 3.12Å; Y184-P396 WeakPolarHBondContact OH-CA 3.26Å; Y184-L399 HydrophobicContact CE2-CD1 3.86Å
185	D	98.4	Very high	96.6	Very high	17 Å²	17	19.4 Å²	19.4	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-68.3	-26.1	179.3	-69	-42.5	0	0	0	112.2	K151 I181 S182 V188 W189 V288	K151-D185 WeakPolarHBondContact CE-OD1 3.13Å; K151-D185 IonicContact NZ-OD1 3.4Å; K151-D185 PolarHBondContact NZ-OD1 3.45Å; K151-D185 IonicContact NZ-OD2 3.91Å; I181-D185 VanDerWaalsContact CD1-C 3.43Å; I181-D185 HydrophobicContact CD1-CB 3.64Å; I181-D185 VanDerWaalsContact CD1-O 3.27Å; I181-D185 WeakPolarHBondContact CD1-O 3.41Å; I181-D185 HydrophobicContact CG1-CB 3.25Å; S182-D185 PolarHBondContact O-N 3.31Å; S182-D185 WeakPolarHBondContact OG-CB 3.34Å; S182-D185 PolarHBondContact OG-N 2.88Å; S182-D185 PolarHBondContact OG-OD2 3.11Å; D185-V188 WeakPolarHBondContact O-CB 3.18Å; D185-V188 PolarHBondContact O-N 3.42Å; D185-W189 WeakPolarHBondContact O-CB 3.44Å; D185-W189 PolarHBondContact O-N 3.37Å; D185-V288 HydrophobicContact CB-CG1 4.48Å; D185-V288 HydrophobicContact CB-CG2 4.21Å
186	F	98	Very high	96.7	Very high	11 Å²	11	13.5 Å²	13.5	5%	0.048	7%	0.074	C	C	.	.	H	α-helix	trans	-63	-44.8	170.5	-177	-119.6	0	0	0	111.2	H155 Y158 M159 I160 I181 S182 Y184 V188 W189 Q190	H155-F186 AromaticContact CD2-CD1 3.45Å; H155-F186 VanDerWaalsContact CD2-CD1 3.45Å; H155-F186 WeakPolarHBondContact CD2-CD1 3.44Å; H155-F186 AromaticContact CD2-CG 3.78Å; H155-F186 AromaticContact NE2-CD1 3.77Å; Y158-F186 HydrophobicContact CD1-CE1 4.47Å; Y158-F186 AromaticContact CD1-CZ 3.91Å; Y158-F186 HydrophobicContact CD1-CZ 3.91Å; Y158-F186 HydrophobicContact CD2-CE1 4.16Å; Y158-F186 HydrophobicContact CD2-CZ 4.36Å; Y158-F186 AromaticContact CG-CE1 3.95Å; Y158-F186 HydrophobicContact CG-CE1 3.95Å; Y158-F186 HydrophobicContact CG-CE2 4.42Å; Y158-F186 AromaticContact CG-CZ 3.71Å; Y158-F186 HydrophobicContact CG-CZ 3.71Å; M159-F186 WeakPolarHBondContact O-CE2 3.21Å; I160-F186 HydrophobicContact CG2-CD2 4.05Å; I160-F186 HydrophobicContact CG2-CE2 4.45Å; I181-F186 HydrophobicContact CG2-CB 3.77Å; I181-F186 HydrophobicContact CG2-CD2 3.99Å; I181-F186 HydrophobicContact CG2-CG 4.32Å; S182-F186 VanDerWaalsContact O-CB 3.32Å; S182-F186 WeakPolarHBondContact O-CB 3.47Å; S182-F186 PolarHBondContact O-N 3.23Å; Y184-F186 PolarHBondContact O-N 2.98Å; F186-V188 VanDerWaalsContact C-N 3.3Å; F186-V188 PolarHBondContact O-N 2.75Å; F186-W189 PolarHBondContact O-N 3.45Å; F186-Q190 HydrophobicContact CE1-CG 4.36Å; F186-Q190 HydrophobicContact CE2-CG 4.34Å; F186-Q190 HydrophobicContact CZ-CG 4.21Å; F186-Q190 VanDerWaalsContact CZ-NE2 3.27Å; F186-Q190 WeakPolarHBondContact O-CG 3.39Å; F186-Q190 PolarHBondContact O-N 3.49Å
187	F	98.1	Very high	96.8	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.013	7%	0.066	C	C	.	.	H	α-helix	trans	-57.8	-42.8	172.6	168.1	-88.8	0	0	0	111.4	I183 Y184 H191 H225 L229 A393 F398 L399	I183-F187 PolarHBondContact O-N 3.45Å; Y184-F187 VanDerWaalsContact O-CB 3.28Å; Y184-F187 WeakPolarHBondContact O-CB 3.42Å; Y184-F187 PolarHBondContact O-N 2.9Å; Y184-F187 VanDerWaalsContact O-N 3.11Å; F187-H191 PolarHBondContact O-N 3.07Å; F187-H225 AromaticContact CD1-CE1 3.93Å; F187-H225 AromaticContact CD1-NE2 3.93Å; F187-H225 AromaticContact CD2-CD2 3.3Å; F187-H225 WeakPolarHBondContact CD2-CD2 3.21Å; F187-H225 AromaticContact CD2-CE1 3.45Å; F187-H225 VanDerWaalsContact CD2-CE1 3.45Å; F187-H225 WeakPolarHBondContact CD2-CE1 3.48Å; F187-H225 AromaticContact CD2-CG 3.84Å; F187-H225 AromaticContact CD2-ND1 3.93Å; F187-H225 AromaticContact CD2-NE2 3.03Å; F187-H225 WeakPolarHBondContact CD2-NE2 3.32Å; F187-H225 AromaticContact CE1-CE1 3.58Å; F187-H225 HydrophobicContact CE2-CB 4.38Å; F187-H225 AromaticContact CE2-CD2 3.38Å; F187-H225 WeakPolarHBondContact CE2-CD2 3.4Å; F187-H225 AromaticContact CE2-CE1 3.08Å; F187-H225 WeakPolarHBondContact CE2-CE1 3.46Å; F187-H225 AromaticContact CE2-CG 3.39Å; F187-H225 AromaticContact CE2-ND1 3.22Å; F187-H225 WeakPolarHBondContact CE2-ND1 3.28Å; F187-H225 AromaticContact CE2-NE2 3.18Å; F187-H225 WeakPolarHBondContact CE2-NE2 3.46Å; F187-H225 AromaticContact CG-CE1 3.87Å; F187-H225 AromaticContact CG-NE2 3.44Å; F187-H225 WeakPolarHBondContact CG-NE2 3.46Å; F187-H225 AromaticContact CZ-CE1 3.13Å; F187-H225 WeakPolarHBondContact CZ-CE1 3.18Å; F187-H225 AromaticContact CZ-ND1 3.41Å; F187-H225 WeakPolarHBondContact CZ-ND1 3.3Å; F187-H225 AromaticContact CZ-NE2 3.67Å; F187-H225 PolarHBondContact O-NE2 3.3Å; F187-L229 HydrophobicContact CB-CD1 4.25Å; F187-L229 HydrophobicContact CB-CD2 4.46Å; F187-L229 HydrophobicContact CD1-CD2 4.35Å; F187-L229 HydrophobicContact CD2-CB 3.74Å; F187-L229 HydrophobicContact CD2-CD2 3.76Å; F187-L229 HydrophobicContact CD2-CG 4.23Å; F187-L229 HydrophobicContact CE2-CB 4.18Å; F187-L229 HydrophobicContact CE2-CD2 3.98Å; F187-L229 HydrophobicContact CG-CB 4.5Å; F187-L229 HydrophobicContact CG-CD2 3.96Å; F187-L229 HydrophobicContact CZ-CD2 4.4Å; F187-A393 HydrophobicContact CD1-CB 4.32Å; F187-A393 HydrophobicContact CE1-CB 3.97Å; F187-F398 AromaticContact CE1-CD1 3.75Å; F187-F398 HydrophobicContact CE1-CD1 3.75Å; F187-F398 AromaticContact CE1-CE1 3.97Å; F187-F398 HydrophobicContact CE1-CE1 3.97Å; F187-F398 AromaticContact CZ-CD1 3.61Å; F187-F398 HydrophobicContact CZ-CD1 3.61Å; F187-F398 AromaticContact CZ-CE1 3.57Å; F187-F398 HydrophobicContact CZ-CE1 3.57Å; F187-L399 HydrophobicContact CE1-CD2 3.79Å; F187-L399 HydrophobicContact CE2-CD2 3.87Å; F187-L399 HydrophobicContact CZ-CD2 3.34Å; F187-L399 HydrophobicContact CZ-CG 4.45Å
188	V	98.4	Very high	96.7	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-62.5	-47.2	174.2	179.8	0	0	0	0	111.7	Y184 D185 F186 Q190 H191 Y192 V288 A393 N394	Y184-V188 HydrophobicContact CD1-CG2 3.86Å; Y184-V188 HydrophobicContact CE1-CG2 3.68Å; Y184-V188 WeakPolarHBondContact O-CG2 3.34Å; Y184-V188 PolarHBondContact O-N 3.37Å; D185-V188 WeakPolarHBondContact O-CB 3.18Å; D185-V188 PolarHBondContact O-N 3.42Å; F186-V188 VanDerWaalsContact C-N 3.3Å; F186-V188 PolarHBondContact O-N 2.75Å; V188-Q190 VanDerWaalsContact C-N 3.33Å; V188-Q190 PolarHBondContact O-N 3.21Å; V188-H191 PolarHBondContact O-N 3.49Å; V188-Y192 PolarHBondContact O-N 2.63Å; V188-V288 HydrophobicContact CB-CG2 3.96Å; V188-V288 HydrophobicContact CG1-CG2 3.62Å; V188-A393 HydrophobicContact CB-CB 4.38Å; V188-A393 HydrophobicContact CG1-CB 4.37Å; V188-A393 HydrophobicContact CG2-CB 4.19Å; V188-A393 WeakPolarHBondContact CG2-O 3.26Å; V188-N394 WeakPolarHBondContact CG1-ND2 3.41Å
189	W	98.2	Very high	96.7	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-64.3	-37.4	-176.1	-171.7	99.6	0	0	0	112.4	Q26 I160 A161 I181 D185 F186 H191 Y192 Y193 L301 C302 P440	Q26-W189 HydrophobicContact CB-CH2 3.97Å; Q26-W189 HydrophobicContact CB-CZ3 3.76Å; Q26-W189 VanDerWaalsContact CD-CZ3 3.49Å; Q26-W189 HydrophobicContact CG-CH2 4.15Å; Q26-W189 HydrophobicContact CG-CZ3 3.62Å; I160-W189 HydrophobicContact CB-CD2 3.87Å; I160-W189 HydrophobicContact CB-CE3 4.5Å; I160-W189 HydrophobicContact CB-CG 4.07Å; I160-W189 HydrophobicContact CB-CZ2 4.09Å; I160-W189 HydrophobicContact CD1-CG 4.32Å; I160-W189 HydrophobicContact CG2-CB 3.87Å; I160-W189 HydrophobicContact CG2-CD2 3.35Å; I160-W189 HydrophobicContact CG2-CE3 3.81Å; I160-W189 HydrophobicContact CG2-CG 3.38Å; I160-W189 HydrophobicContact CG2-CZ2 4.42Å; A161-W189 HydrophobicContact CB-CZ2 4.41Å; A161-W189 WeakPolarHBondContact O-CZ2 3.19Å; I181-W189 HydrophobicContact CD1-CB 3.93Å; I181-W189 HydrophobicContact CD1-CG 4.44Å; D185-W189 WeakPolarHBondContact O-CB 3.44Å; D185-W189 PolarHBondContact O-N 3.37Å; F186-W189 PolarHBondContact O-N 3.45Å; W189-H191 VanDerWaalsContact C-N 3.31Å; W189-H191 PolarHBondContact O-N 3.19Å; W189-Y192 HydrophobicContact CG-CD1 4.5Å; W189-Y192 PolarHBondContact O-N 3.21Å; W189-Y193 HydrophobicContact CE3-CG 4.39Å; W189-Y193 HydrophobicContact CH2-CD1 4.32Å; W189-Y193 AromaticContact CH2-CD2 3.18Å; W189-Y193 HydrophobicContact CH2-CD2 3.18Å; W189-Y193 AromaticContact CH2-CE2 3.65Å; W189-Y193 HydrophobicContact CH2-CE2 3.65Å; W189-Y193 AromaticContact CH2-CG 3.55Å; W189-Y193 HydrophobicContact CH2-CG 3.55Å; W189-Y193 AromaticContact CZ2-CD2 3.56Å; W189-Y193 HydrophobicContact CZ2-CD2 3.56Å; W189-Y193 HydrophobicContact CZ2-CE2 4.15Å; W189-Y193 HydrophobicContact CZ2-CG 4.2Å; W189-Y193 HydrophobicContact CZ3-CD1 4.25Å; W189-Y193 AromaticContact CZ3-CD2 3.8Å; W189-Y193 HydrophobicContact CZ3-CD2 3.8Å; W189-Y193 HydrophobicContact CZ3-CE2 4.49Å; W189-Y193 AromaticContact CZ3-CG 3.64Å; W189-Y193 HydrophobicContact CZ3-CG 3.64Å; W189-Y193 VanDerWaalsContact O-CB 3.28Å; W189-Y193 WeakPolarHBondContact O-CB 3.37Å; W189-Y193 PolarHBondContact O-N 2.85Å; W189-L301 HydrophobicContact CZ2-CD1 4.31Å; W189-C302 PolarHBondContact NE1-O 2.96Å; W189-P440 HydrophobicContact CZ3-CG 4.13Å
190	Q	97.8	Very high	96.5	Very high	11 Å²	11	12.7 Å²	12.7	5%	0.051	7%	0.067	C	C	.	.	H	α-helix	trans	-58.2	-44.7	175.3	-74.5	175.8	-25.6	0	0	111.7	F186 V188 Y193 S194 P440 F441	F186-Q190 HydrophobicContact CE1-CG 4.36Å; F186-Q190 HydrophobicContact CE2-CG 4.34Å; F186-Q190 HydrophobicContact CZ-CG 4.21Å; F186-Q190 VanDerWaalsContact CZ-NE2 3.27Å; F186-Q190 WeakPolarHBondContact O-CG 3.39Å; F186-Q190 PolarHBondContact O-N 3.49Å; V188-Q190 VanDerWaalsContact C-N 3.33Å; V188-Q190 PolarHBondContact O-N 3.21Å; Q190-Y193 PolarHBondContact O-N 2.67Å; Q190-S194 PolarHBondContact O-N 3.25Å; Q190-S194 VanDerWaalsContact O-N 3.09Å; Q190-P440 HydrophobicContact CB-CG 4.24Å; Q190-P440 HydrophobicContact CG-CG 4.25Å; Q190-P440 VanDerWaalsContact O-CD 3.29Å; Q190-P440 WeakPolarHBondContact O-CD 3.19Å; Q190-F441 HydrophobicContact CB-CE1 4.48Å
191	H	98	Very high	96.1	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-64.7	-52.3	176.9	-170.8	-93.8	0	0	0	111	F187 V188 W189 Y193 S194 V195 H213 W221 H222 S389 A393 F398	F187-H191 PolarHBondContact O-N 3.07Å; V188-H191 PolarHBondContact O-N 3.49Å; W189-H191 VanDerWaalsContact C-N 3.31Å; W189-H191 PolarHBondContact O-N 3.19Å; H191-Y193 VanDerWaalsContact C-N 3.28Å; H191-Y193 PolarHBondContact O-N 2.87Å; H191-S194 PolarHBondContact O-N 2.71Å; H191-S194 PolarHBondContact O-OG 3.3Å; H191-V195 PolarHBondContact O-N 2.64Å; H191-H213 AromaticContact CE1-CE1 3.64Å; H191-H213 AromaticContact CE1-NE2 3.97Å; H191-H213 AromaticContact NE2-CE1 3.17Å; H191-H213 PolarHBondContact NE2-CE1 2.87Å; H191-H213 AromaticContact NE2-NE2 3.38Å; H191-H213 PolarHBondContact NE2-NE2 2.61Å; H191-W221 HydrophobicContact CB-CH2 3.88Å; H191-W221 HydrophobicContact CB-CZ3 4.46Å; H191-W221 AromaticContact CD2-CH2 3.8Å; H191-W221 AromaticContact CD2-CZ3 3.57Å; H191-H222 AromaticContact CD2-NE2 3.57Å; H191-H222 AromaticContact NE2-NE2 3.33Å; H191-H222 PolarHBondContact NE2-NE2 2.83Å; H191-S389 PolarHBondContact CE1-O 3.44Å; H191-S389 PolarHBondContact ND1-O 3.28Å; H191-A393 HydrophobicContact CB-CB 4.11Å; H191-F398 AromaticContact CD2-CZ 3.6Å; H191-F398 AromaticContact NE2-CE2 3.68Å; H191-F398 AromaticContact NE2-CZ 3.64Å
192	Y	97.6	Very high	95.7	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-48.1	-49.3	173	156.9	-98.7	0	0	0	112.3	V188 W189 S194 V195 R196 C289 L292 Y295 C302 H390	V188-Y192 PolarHBondContact O-N 2.63Å; W189-Y192 HydrophobicContact CG-CD1 4.5Å; W189-Y192 PolarHBondContact O-N 3.21Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 2.89Å; Y192-V195 PolarHBondContact O-N 3.19Å; Y192-R196 HydrophobicContact CE2-CB 4.02Å; Y192-R196 WeakPolarHBondContact O-CB 3.47Å; Y192-R196 PolarHBondContact O-N 3.05Å; Y192-C289 HydrophobicContact CD1-CB 4.14Å; Y192-C289 HydrophobicContact CD2-CB 3.67Å; Y192-C289 HydrophobicContact CE2-CB 4.31Å; Y192-C289 HydrophobicContact CG-CB 3.58Å; Y192-L292 HydrophobicContact CE2-CD1 3.99Å; Y192-Y295 AromaticContact CE2-CD2 3.71Å; Y192-Y295 HydrophobicContact CE2-CD2 3.71Å; Y192-Y295 AromaticContact CE2-CE2 3.84Å; Y192-Y295 HydrophobicContact CE2-CE2 3.84Å; Y192-Y295 AromaticContact CZ-CD2 3.71Å; Y192-Y295 AromaticContact CZ-CE2 3.97Å; Y192-Y295 WeakPolarHBondContact OH-CD2 3.37Å; Y192-C302 HydrophobicContact CD1-CB 3.75Å; Y192-C302 HydrophobicContact CE1-CB 3.39Å; Y192-C302 HydrophobicContact CE2-CB 4.36Å; Y192-C302 HydrophobicContact CG-CB 4.38Å; Y192-C302 PolarHBondContact OH-N 3.4Å; Y192-H390 HydrophobicContact CD2-CB 4.19Å
193	Y	97.4	Very high	95.1	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-70.4	-28.3	-175.1	-173.8	-87.7	0	0	0	112.2	D84 R85 W88 W189 Q190 H191 R196 L301 V439 P440	D84-Y193 PolarHBondContact OD1-OH 2.9Å; D84-Y193 PolarHBondContact OD2-OH 3.07Å; R85-Y193 WeakPolarHBondContact CD-O 3.33Å; R85-Y193 HydrophobicContact CG-CD1 4.23Å; R85-Y193 HydrophobicContact CG-CE1 3.56Å; R85-Y193 PolarHBondContact NH1-O 3.22Å; W88-Y193 HydrophobicContact CH2-CE1 4.32Å; W88-Y193 AromaticContact CZ3-CE1 3.86Å; W88-Y193 HydrophobicContact CZ3-CE1 3.86Å; W189-Y193 HydrophobicContact CE3-CG 4.39Å; W189-Y193 HydrophobicContact CH2-CD1 4.32Å; W189-Y193 AromaticContact CH2-CD2 3.18Å; W189-Y193 HydrophobicContact CH2-CD2 3.18Å; W189-Y193 AromaticContact CH2-CE2 3.65Å; W189-Y193 HydrophobicContact CH2-CE2 3.65Å; W189-Y193 AromaticContact CH2-CG 3.55Å; W189-Y193 HydrophobicContact CH2-CG 3.55Å; W189-Y193 AromaticContact CZ2-CD2 3.56Å; W189-Y193 HydrophobicContact CZ2-CD2 3.56Å; W189-Y193 HydrophobicContact CZ2-CE2 4.15Å; W189-Y193 HydrophobicContact CZ2-CG 4.2Å; W189-Y193 HydrophobicContact CZ3-CD1 4.25Å; W189-Y193 AromaticContact CZ3-CD2 3.8Å; W189-Y193 HydrophobicContact CZ3-CD2 3.8Å; W189-Y193 HydrophobicContact CZ3-CE2 4.49Å; W189-Y193 AromaticContact CZ3-CG 3.64Å; W189-Y193 HydrophobicContact CZ3-CG 3.64Å; W189-Y193 VanDerWaalsContact O-CB 3.28Å; W189-Y193 WeakPolarHBondContact O-CB 3.37Å; W189-Y193 PolarHBondContact O-N 2.85Å; Q190-Y193 PolarHBondContact O-N 2.67Å; H191-Y193 VanDerWaalsContact C-N 3.28Å; H191-Y193 PolarHBondContact O-N 2.87Å; Y193-R196 WeakPolarHBondContact O-CG 3.19Å; Y193-L301 HydrophobicContact CD2-CD1 4.28Å; Y193-L301 HydrophobicContact CD2-CD2 4.3Å; Y193-L301 HydrophobicContact CE2-CD1 3.79Å; Y193-L301 HydrophobicContact CE2-CD2 4.18Å; Y193-V439 HydrophobicContact CD1-CG1 4.09Å; Y193-V439 HydrophobicContact CE1-CG1 4Å; Y193-P440 HydrophobicContact CD1-CB 3.44Å; Y193-P440 VanDerWaalsContact CD1-CB 3.44Å; Y193-P440 HydrophobicContact CD1-CG 3.64Å; Y193-P440 HydrophobicContact CE1-CB 3.69Å; Y193-P440 HydrophobicContact CE1-CG 4.39Å; Y193-P440 HydrophobicContact CG-CB 4.39Å; Y193-P440 HydrophobicContact CG-CG 4.24Å
194	S	97.2	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.5	-32.9	173.1	75.2	0	0	0	0	112.7	R85 Q190 H191 Y192 F211 S212 V439	R85-S194 PolarHBondContact NH1-O 3.45Å; Q190-S194 PolarHBondContact O-N 3.25Å; Q190-S194 VanDerWaalsContact O-N 3.09Å; H191-S194 PolarHBondContact O-N 2.71Å; H191-S194 PolarHBondContact O-OG 3.3Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 2.89Å; S194-F211 PolarHBondContact O-N 3.43Å; S194-S212 WeakPolarHBondContact OG-CB 3.38Å; S194-S212 PolarHBondContact OG-OG 3.43Å; S194-V439 WeakPolarHBondContact CB-O 3.32Å
195	V	95.4	Very high	94.3	Very high	14 Å²	14	27 Å²	27	9%	0.085	15%	0.151	C	C	.	.	H	α-helix	trans	-105.3	-8	-174.2	-53.6	0	0	0	0	115	H191 Y192 S212 H213 H390	H191-V195 PolarHBondContact O-N 2.64Å; Y192-V195 PolarHBondContact O-N 3.19Å; V195-S212 WeakPolarHBondContact CG1-OG 3.32Å; V195-H213 VanDerWaalsContact CG1-CE1 3.48Å; V195-H213 WeakPolarHBondContact CG1-CE1 3.46Å; V195-H213 WeakPolarHBondContact CG1-ND1 3.4Å; V195-H390 HydrophobicContact CG2-CB 4.05Å
196	R	94.1	Very high	93.9	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.157	C	C	.	.	S	Bend	trans	-60.6	156.9	-179.4	65.7	164.7	-125.6	-93.5	-5.2	112.2	D83 D84 R85 Y192 Y193 L292	D83-R196 IonicContact OD1-NH2 3.71Å; D83-R196 IonicContact OD2-NH2 3.07Å; D84-R196 IonicContact OD1-CZ 3.96Å; D84-R196 VanDerWaalsContact OD1-CZ 3.31Å; D84-R196 IonicContact OD1-NH1 3.06Å; D84-R196 PolarHBondContact OD1-NH1 3.18Å; D84-R196 IonicContact OD1-NH2 2.65Å; D84-R196 PolarHBondContact OD1-NH2 2.82Å; D84-R196 IonicContact OD2-NH1 2.96Å; D84-R196 IonicContact OD2-NH2 3.47Å; R85-R196 VanDerWaalsContact CZ-O 3.25Å; R85-R196 VanDerWaalsContact NH1-CG 3.31Å; R85-R196 PolarHBondContact NH1-O 2.96Å; R85-R196 PolarHBondContact NH2-O 2.9Å; Y192-R196 HydrophobicContact CE2-CB 4.02Å; Y192-R196 WeakPolarHBondContact O-CB 3.47Å; Y192-R196 PolarHBondContact O-N 3.05Å; Y193-R196 WeakPolarHBondContact O-CG 3.19Å; R196-L292 HydrophobicContact CB-CD1 4.32Å
197	D	94.1	Very high	93.5	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.07	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-65.1	154.5	173.9	-60.8	-28.2	0	0	0	112.2	P205 R207 N296	D197-P205 HydrophobicContact CB-CB 3.67Å; D197-R207 VanDerWaalsContact OD1-CA 3.3Å; D197-R207 WeakPolarHBondContact OD1-CA 3.24Å; D197-R207 WeakPolarHBondContact OD1-CB 3.27Å; D197-R207 WeakPolarHBondContact OD2-CG 3.03Å; D197-R207 IonicContact OD2-NE 3.31Å; D197-N296 PolarHBondContact OD2-ND2 2.87Å
198	T	94.3	Very high	93.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.8	167.6	-62.9	0	0	0	0	109.9	V82 D83 L200 P205 F206 I209	V82-T198 HydrophobicContact CG2-CG2 4.22Å; D83-T198 HydrophobicContact CB-CG2 3.86Å; D83-T198 VanDerWaalsContact OD2-CA 3.27Å; D83-T198 WeakPolarHBondContact OD2-CA 3.27Å; D83-T198 WeakPolarHBondContact OD2-CB 3.39Å; D83-T198 WeakPolarHBondContact OD2-CG2 3.38Å; D83-T198 PolarHBondContact OD2-OG1 3.31Å; T198-L200 HydrophobicContact CG2-CD2 3.65Å; T198-L200 HydrophobicContact CG2-CG 4.24Å; T198-L200 PolarHBondContact O-N 3.3Å; T198-P205 CarbonylContact O-C 3.23Å; T198-P205 VanDerWaalsContact O-CA 3.3Å; T198-P205 WeakPolarHBondContact O-CA 3.48Å; T198-F206 PolarHBondContact N-O 2.94Å; T198-F206 PolarHBondContact O-N 2.79Å; T198-I209 WeakPolarHBondContact OG1-CD1 3.3Å
199	L	93.1	Very high	92.7	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	89.2	-175.7	-55.3	176.7	0	0	0	110.8	G201 N296 V299 L301	L199-G201 VanDerWaalsContact C-N 3.34Å; L199-N296 WeakPolarHBondContact CD2-OD1 3.4Å; L199-V299 HydrophobicContact CB-CG1 3.93Å; L199-V299 HydrophobicContact CD1-CG1 4.34Å; L199-L301 HydrophobicContact CD1-CD2 4.16Å
200	L	90.1	Very high	92.4	Very high	86 Å²	86	39.1 Å²	39.1	45%	0.45	21%	0.209	S	C	.	.			trans	-83	-12.1	-179.2	-52.8	174.5	0	0	0	113.9	L79 V82 T198 R204 F206	L79-L200 HydrophobicContact CD1-CD1 3.93Å; L79-L200 HydrophobicContact CD1-CD2 3.64Å; L79-L200 HydrophobicContact CD1-CG 4.38Å; V82-L200 HydrophobicContact CB-CD2 4.09Å; V82-L200 HydrophobicContact CG2-CD2 3.85Å; T198-L200 HydrophobicContact CG2-CD2 3.65Å; T198-L200 HydrophobicContact CG2-CG 4.24Å; T198-L200 PolarHBondContact O-N 3.3Å; L200-R204 VanDerWaalsContact CB-O 3.29Å; L200-R204 WeakPolarHBondContact CB-O 3.37Å; L200-R204 PolarHBondContact N-O 2.89Å; L200-F206 HydrophobicContact CD1-CB 3.93Å; L200-F206 HydrophobicContact CG-CB 4.39Å
201	G	88.1	Confident	92.4	Very high	14 Å²	14	38.7 Å²	38.7	14%	0.144	21%	0.207	C	C	.	.	S	Bend	trans	152.7	174.4	-177.8	0	0	0	0	0	111.4	L199 G203 R204 V299	L199-G201 VanDerWaalsContact C-N 3.34Å; G201-G203 PolarHBondContact O-N 3.25Å; G201-R204 PolarHBondContact O-N 3.43Å; G201-V299 VanDerWaalsContact C-CG2 3.43Å
202	P	88.6	Confident	92.2	Very high	105 Å²	105	38.6 Å²	38.6	68%	0.682	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	115	-173.3	-26.9	35.4	0	0	0	112.4	R204 R297 V299	P202-R204 PolarHBondContact O-N 3.22Å; P202-R297 VanDerWaalsContact CA-O 3.3Å; P202-R297 WeakPolarHBondContact CA-O 3.29Å; P202-R297 WeakPolarHBondContact CB-O 3.01Å; P202-V299 HydrophobicContact CB-CG2 4.46Å; P202-V299 HydrophobicContact CG-CG2 4.05Å
203	G	84.1	Confident	91.9	Very high	48 Å²	48	39 Å²	39	50%	0.495	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	16.5	178.7	0	0	0	0	0	114.7	G201 P205 N296	G201-G203 PolarHBondContact O-N 3.25Å; G203-P205 WeakPolarHBondContact O-CD 3.37Å; G203-N296 PolarHBondContact N-O 3.48Å
204	R	88.6	Confident	91.4	Very high	194 Å²	194	42.4 Å²	42.4	73%	0.732	22%	0.223	S	C	*	.			trans	-120.4	63.2	178.5	-62.9	-177.5	-178.6	-173.7	-0.3	111.3	L200 G201 P202	L200-R204 VanDerWaalsContact CB-O 3.29Å; L200-R204 WeakPolarHBondContact CB-O 3.37Å; L200-R204 PolarHBondContact N-O 2.89Å; G201-R204 PolarHBondContact O-N 3.43Å; P202-R204 PolarHBondContact O-N 3.22Å
205	P	90.2	Very high	90.9	Very high	34 Å²	34	42.4 Å²	42.4	22%	0.221	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.8	177.1	31.2	-34.2	0	0	0	111.5	D197 T198 G203 R207 N296	D197-P205 HydrophobicContact CB-CB 3.67Å; T198-P205 CarbonylContact O-C 3.23Å; T198-P205 VanDerWaalsContact O-CA 3.3Å; T198-P205 WeakPolarHBondContact O-CA 3.48Å; G203-P205 WeakPolarHBondContact O-CD 3.37Å; P205-R207 HydrophobicContact CB-CG 4.39Å; P205-R207 HydrophobicContact CG-CG 4.35Å; P205-N296 HydrophobicContact CB-CB 4.19Å; P205-N296 HydrophobicContact CG-CB 4.19Å
206	F	91.2	Very high	90.7	Very high	51 Å²	51	41.8 Å²	41.8	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.3	159.6	176.2	-82.7	0	0	0	109	Y77 L79 T198 L200 A208 I209	Y77-F206 AromaticContact CD2-CD1 3.78Å; Y77-F206 HydrophobicContact CD2-CD1 3.78Å; Y77-F206 AromaticContact CD2-CE1 3.52Å; Y77-F206 HydrophobicContact CD2-CE1 3.52Å; Y77-F206 HydrophobicContact CD2-CZ 4.26Å; Y77-F206 HydrophobicContact CE2-CD1 4.27Å; Y77-F206 HydrophobicContact CE2-CE1 4.43Å; Y77-F206 HydrophobicContact CG-CE1 4.34Å; L79-F206 HydrophobicContact CD1-CB 4.35Å; L79-F206 HydrophobicContact CD1-CD2 4.39Å; L79-F206 HydrophobicContact CD1-CG 4.31Å; T198-F206 PolarHBondContact N-O 2.94Å; T198-F206 PolarHBondContact O-N 2.79Å; L200-F206 HydrophobicContact CD1-CB 3.93Å; L200-F206 HydrophobicContact CG-CB 4.39Å; F206-A208 VanDerWaalsContact CE1-C 3.46Å; F206-A208 HydrophobicContact CE1-CB 3.89Å; F206-A208 WeakPolarHBondContact CE1-O 3.45Å; F206-A208 HydrophobicContact CZ-CB 3.77Å; F206-I209 HydrophobicContact CD1-CB 4.24Å; F206-I209 HydrophobicContact CD1-CG2 4.24Å; F206-I209 HydrophobicContact CE1-CB 4.16Å
207	R	89.9	Confident	90.7	Very high	157 Å²	157	41.7 Å²	41.7	59%	0.592	22%	0.219	S	C	*	.			trans	-97.6	-17.3	-167.4	-53.3	-168	164.5	169.2	-6.7	115.3	D197 P205 I209 D293	D197-R207 VanDerWaalsContact OD1-CA 3.3Å; D197-R207 WeakPolarHBondContact OD1-CA 3.24Å; D197-R207 WeakPolarHBondContact OD1-CB 3.27Å; D197-R207 WeakPolarHBondContact OD2-CG 3.03Å; D197-R207 IonicContact OD2-NE 3.31Å; P205-R207 HydrophobicContact CB-CG 4.39Å; P205-R207 HydrophobicContact CG-CG 4.35Å; R207-I209 PolarHBondContact O-N 3.25Å; R207-D293 IonicContact NH2-OD1 3.44Å; R207-D293 PolarHBondContact NH2-OD1 2.84Å
208	A	87.8	Confident	90.8	Very high	50 Å²	50	41.1 Å²	41.1	41%	0.413	22%	0.216	S	C	.	.	S	Bend	trans	-86	53.2	-175.5	0	0	0	0	0	111.1	P76 F206	P76-A208 HydrophobicContact CB-CB 3.98Å; P76-A208 HydrophobicContact CG-CB 3.92Å; P76-A208 WeakPolarHBondContact CG-O 3.22Å; F206-A208 VanDerWaalsContact CE1-C 3.46Å; F206-A208 HydrophobicContact CE1-CB 3.89Å; F206-A208 WeakPolarHBondContact CE1-O 3.45Å; F206-A208 HydrophobicContact CZ-CB 3.77Å
209	I	90.6	Very high	90.7	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.067	22%	0.217	C	C	.	.			trans	-142.2	136.1	-178.9	-171.2	173.3	0	0	0	109.4	Y77 T198 F206 R207 F211 I430	Y77-I209 HydrophobicContact CD2-CB 4.28Å; Y77-I209 HydrophobicContact CD2-CD1 3.62Å; Y77-I209 HydrophobicContact CD2-CG1 4.22Å; Y77-I209 HydrophobicContact CE2-CD1 3.66Å; Y77-I209 HydrophobicContact CG-CD1 4.05Å; Y77-I209 HydrophobicContact CG-CG1 4.47Å; T198-I209 WeakPolarHBondContact OG1-CD1 3.3Å; F206-I209 HydrophobicContact CD1-CB 4.24Å; F206-I209 HydrophobicContact CD1-CG2 4.24Å; F206-I209 HydrophobicContact CE1-CB 4.16Å; R207-I209 PolarHBondContact O-N 3.25Å; I209-F211 HydrophobicContact CD1-CD2 4.38Å; I209-F211 HydrophobicContact CD1-CE2 3.43Å; I209-F211 VanDerWaalsContact CD1-CE2 3.43Å; I209-F211 HydrophobicContact CD1-CZ 3.96Å; I209-F211 HydrophobicContact CG1-CD2 4.25Å; I209-F211 HydrophobicContact CG1-CE2 3.75Å; I209-I430 HydrophobicContact CD1-CG2 4.02Å; I209-I430 HydrophobicContact CG1-CG2 3.92Å
210	D	93.2	Very high	90.8	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.091	22%	0.215	C	C	.	.			trans	-151.3	138.3	175.3	-159.9	-48.2	0	0	0	107.3	S212 H213 H432	D210-S212 PolarHBondContact OD1-N 2.98Å; D210-S212 PolarHBondContact OD1-OG 3.03Å; D210-H213 IonicContact OD1-CG 2.74Å; D210-H213 PolarHBondContact OD1-N 2.68Å; D210-H213 IonicContact OD1-ND1 3.6Å; D210-H213 PolarHBondContact OD1-ND1 3.5Å; D210-H213 WeakPolarHBondContact OD2-CB 3.42Å; D210-H213 IonicContact OD2-CG 3.58Å; D210-H213 IonicContact OD2-ND1 3.76Å; D210-H213 PolarHBondContact OD2-ND1 3.44Å; D210-H432 PolarHBondContact O-NE2 2.97Å
211	F	95.9	Very high	91.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	19%	0.193	C	C	.	.	S	Bend	trans	-107	-4	179.6	-75.4	-98.3	0	0	0	113	R85 S194 I209 I430 Y436 V439	R85-F211 HydrophobicContact CB-CD1 4.41Å; R85-F211 HydrophobicContact CB-CD2 4.18Å; R85-F211 HydrophobicContact CB-CE1 3.82Å; R85-F211 HydrophobicContact CB-CE2 3.53Å; R85-F211 HydrophobicContact CB-CZ 3.34Å; R85-F211 HydrophobicContact CG-CE2 4.33Å; S194-F211 PolarHBondContact O-N 3.43Å; I209-F211 HydrophobicContact CD1-CD2 4.38Å; I209-F211 HydrophobicContact CD1-CE2 3.43Å; I209-F211 VanDerWaalsContact CD1-CE2 3.43Å; I209-F211 HydrophobicContact CD1-CZ 3.96Å; I209-F211 HydrophobicContact CG1-CD2 4.25Å; I209-F211 HydrophobicContact CG1-CE2 3.75Å; F211-I430 HydrophobicContact CE1-CD1 4.4Å; F211-I430 HydrophobicContact CE1-CG1 3.93Å; F211-I430 HydrophobicContact CE1-CG2 4.5Å; F211-I430 HydrophobicContact CZ-CD1 4.14Å; F211-I430 HydrophobicContact CZ-CG1 4.07Å; F211-I430 HydrophobicContact CZ-CG2 4.19Å; F211-Y436 HydrophobicContact CD1-CE1 4.27Å; F211-Y436 HydrophobicContact CE1-CE1 4.13Å; F211-V439 HydrophobicContact CB-CB 4.11Å; F211-V439 HydrophobicContact CB-CG2 4.43Å; F211-V439 HydrophobicContact CD1-CB 4.03Å; F211-V439 HydrophobicContact CD1-CG2 3.45Å; F211-V439 VanDerWaalsContact CD1-CG2 3.45Å; F211-V439 HydrophobicContact CE1-CG2 3.93Å; F211-V439 HydrophobicContact CG-CB 4.16Å; F211-V439 HydrophobicContact CG-CG2 4.1Å
212	S	94.8	Very high	91.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-137.9	-1.6	-172.2	58.9	0	0	0	0	113.8	S194 V195 D210 F218 H222	S194-S212 WeakPolarHBondContact OG-CB 3.38Å; S194-S212 PolarHBondContact OG-OG 3.43Å; V195-S212 WeakPolarHBondContact CG1-OG 3.32Å; D210-S212 PolarHBondContact OD1-N 2.98Å; D210-S212 PolarHBondContact OD1-OG 3.03Å; S212-F218 VanDerWaalsContact O-CA 3.24Å; S212-F218 WeakPolarHBondContact O-CA 3.33Å; S212-H222 PolarHBondContact O-CE1 2.97Å; S212-H222 VanDerWaalsContact O-CE1 3.28Å
213	H	91.9	Very high	92.2	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.046	16%	0.155	C	C	.	.	S	Bend	trans	-140.1	172.6	173.5	-49.5	78.3	0	0	0	110.3	H191 V195 D210 G215 F218 H222 E358 H432	H191-H213 AromaticContact CE1-CE1 3.64Å; H191-H213 AromaticContact CE1-NE2 3.97Å; H191-H213 AromaticContact NE2-CE1 3.17Å; H191-H213 PolarHBondContact NE2-CE1 2.87Å; H191-H213 AromaticContact NE2-NE2 3.38Å; H191-H213 PolarHBondContact NE2-NE2 2.61Å; V195-H213 VanDerWaalsContact CG1-CE1 3.48Å; V195-H213 WeakPolarHBondContact CG1-CE1 3.46Å; V195-H213 WeakPolarHBondContact CG1-ND1 3.4Å; D210-H213 IonicContact OD1-CG 2.74Å; D210-H213 PolarHBondContact OD1-N 2.68Å; D210-H213 IonicContact OD1-ND1 3.6Å; D210-H213 PolarHBondContact OD1-ND1 3.5Å; D210-H213 WeakPolarHBondContact OD2-CB 3.42Å; D210-H213 IonicContact OD2-CG 3.58Å; D210-H213 IonicContact OD2-ND1 3.76Å; D210-H213 PolarHBondContact OD2-ND1 3.44Å; H213-G215 PolarHBondContact O-N 2.79Å; H213-F218 AromaticContact CD2-CD2 3.91Å; H213-H222 AromaticContact CD2-CE1 3.76Å; H213-H222 AromaticContact CE1-CE1 3.66Å; H213-H222 AromaticContact CE1-NE2 3.83Å; H213-H222 AromaticContact NE2-CE1 3.25Å; H213-H222 PolarHBondContact NE2-CE1 3.32Å; H213-H222 AromaticContact NE2-NE2 3.41Å; H213-H222 PolarHBondContact NE2-NE2 3.39Å; H213-E358 WeakPolarHBondContact CA-OE1 3.37Å; H213-E358 WeakPolarHBondContact CB-OE1 3.46Å; H213-H432 PolarHBondContact O-CE1 3.24Å; H213-H432 PolarHBondContact O-NE2 2.69Å
214	K	85.6	Confident	92.9	Very high	74 Å²	74	30.4 Å²	30.4	32%	0.322	14%	0.136	S	C	.	.	S	Bend	trans	60.8	29.7	176.2	-55.5	178.8	-177.4	169.4	0	112.9	F343 T344 E358 Y360	K214-F343 HydrophobicContact CB-CD2 4.22Å; K214-F343 HydrophobicContact CB-CE2 3.78Å; K214-F343 HydrophobicContact CB-CZ 4.35Å; K214-F343 HydrophobicContact CD-CZ 4.4Å; K214-F343 WeakPolarHBondContact O-CA 3.22Å; K214-F343 WeakPolarHBondContact O-CD2 3.33Å; K214-T344 HydrophobicContact CB-CG2 3.64Å; K214-T344 HydrophobicContact CD-CG2 3.95Å; K214-T344 HydrophobicContact CG-CG2 3.54Å; K214-E358 PolarHBondContact N-OE1 2.83Å; K214-Y360 WeakPolarHBondContact CE-OH 3.39Å; K214-Y360 HydrophobicContact CG-CE2 3.82Å; K214-Y360 WeakPolarHBondContact CG-OH 3.33Å
215	G	88.5	Confident	93.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-179	177.9	176.8	0	0	0	0	0	113.3	H213 A217 F218 Y342 H432	H213-G215 PolarHBondContact O-N 2.79Å; G215-A217 VanDerWaalsContact C-N 3.27Å; G215-A217 PolarHBondContact O-N 3.48Å; G215-A217 VanDerWaalsContact O-N 3.07Å; G215-F218 VanDerWaalsContact O-CB 3.32Å; G215-F218 WeakPolarHBondContact O-CB 3.36Å; G215-F218 PolarHBondContact O-N 2.99Å; G215-Y342 WeakPolarHBondContact CA-O 3.47Å; G215-H432 VanDerWaalsContact CA-ND1 3.3Å; G215-H432 WeakPolarHBondContact CA-ND1 3.38Å; G215-H432 PolarHBondContact O-ND1 3.12Å
216	P	90.4	Very high	93.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-38.2	-171.8	-26.1	24	0	0	0	115.8	F218 F337 D338 Y342 Y423 P424 A428 H432	P216-F218 PolarHBondContact O-N 3.4Å; P216-F218 VanDerWaalsContact O-N 3.1Å; P216-F337 HydrophobicContact CB-CE1 4.21Å; P216-D338 VanDerWaalsContact CD-OD2 3.32Å; P216-D338 WeakPolarHBondContact CD-OD2 3.45Å; P216-D338 WeakPolarHBondContact CG-OD2 3.28Å; P216-Y342 WeakPolarHBondContact CD-O 3.35Å; P216-Y342 HydrophobicContact CG-CD1 4.46Å; P216-Y342 HydrophobicContact CG-CG 4.46Å; P216-Y423 HydrophobicContact CB-CD1 4.42Å; P216-Y423 HydrophobicContact CB-CE1 3.75Å; P216-Y423 HydrophobicContact CB-CE2 4Å; P216-P424 HydrophobicContact CB-CG 3.9Å; P216-P424 HydrophobicContact CG-CG 3.31Å; P216-A428 HydrophobicContact CG-CB 4.16Å; P216-H432 HydrophobicContact CG-CB 4.32Å
217	A	94.1	Very high	94	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.7	-8.8	-179	0	0	0	0	0	114.8	G215 I219 T220 W221 Y423 H432 N447	G215-A217 VanDerWaalsContact C-N 3.27Å; G215-A217 PolarHBondContact O-N 3.48Å; G215-A217 VanDerWaalsContact O-N 3.07Å; A217-I219 PolarHBondContact O-N 3.4Å; A217-T220 WeakPolarHBondContact CA-OG1 3.32Å; A217-T220 PolarHBondContact O-N 3.21Å; A217-T220 PolarHBondContact O-OG1 2.98Å; A217-W221 WeakPolarHBondContact O-CB 3.16Å; A217-W221 PolarHBondContact O-N 3.12Å; A217-Y423 WeakPolarHBondContact CA-OH 3.23Å; A217-Y423 WeakPolarHBondContact CB-OH 3.33Å; A217-Y423 PolarHBondContact N-OH 2.98Å; A217-H432 HydrophobicContact CB-CB 4.18Å; A217-H432 WeakPolarHBondContact CB-ND1 3.36Å; A217-H432 PolarHBondContact N-ND1 3.08Å; A217-H432 VanDerWaalsContact N-ND1 3.16Å; A217-N447 WeakPolarHBondContact CB-OD1 3.42Å
218	F	94.8	Very high	94.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-46.2	-51	179	165.8	-108	0	0	0	112.6	S212 H213 G215 P216 H222 E358 H375 T405	S212-F218 VanDerWaalsContact O-CA 3.24Å; S212-F218 WeakPolarHBondContact O-CA 3.33Å; H213-F218 AromaticContact CD2-CD2 3.91Å; G215-F218 VanDerWaalsContact O-CB 3.32Å; G215-F218 WeakPolarHBondContact O-CB 3.36Å; G215-F218 PolarHBondContact O-N 2.99Å; P216-F218 PolarHBondContact O-N 3.4Å; P216-F218 VanDerWaalsContact O-N 3.1Å; F218-H222 AromaticContact CD2-CE1 3.72Å; F218-H222 AromaticContact CD2-ND1 3.59Å; F218-H222 AromaticContact CE2-CE1 3.81Å; F218-H222 AromaticContact CE2-ND1 3.74Å; F218-H222 PolarHBondContact O-N 2.9Å; F218-H222 PolarHBondContact O-ND1 3.11Å; F218-E358 HydrophobicContact CD1-CB 4.01Å; F218-E358 HydrophobicContact CD1-CG 4.24Å; F218-E358 HydrophobicContact CD2-CG 4.17Å; F218-E358 HydrophobicContact CE1-CB 3.94Å; F218-E358 HydrophobicContact CE1-CG 4.25Å; F218-E358 HydrophobicContact CE2-CG 4.19Å; F218-E358 HydrophobicContact CG-CB 4.44Å; F218-E358 HydrophobicContact CG-CG 4.19Å; F218-E358 HydrophobicContact CZ-CB 4.32Å; F218-E358 HydrophobicContact CZ-CG 4.23Å; F218-H375 AromaticContact CE2-CE1 3.76Å; F218-H375 AromaticContact CE2-NE2 3.72Å; F218-H375 HydrophobicContact CZ-CB 4.37Å; F218-H375 AromaticContact CZ-CD2 3.77Å; F218-H375 AromaticContact CZ-CG 3.81Å; F218-H375 AromaticContact CZ-ND1 3.98Å; F218-H375 AromaticContact CZ-NE2 3.9Å; F218-T405 HydrophobicContact CE1-CG2 3.98Å; F218-T405 HydrophobicContact CZ-CG2 4.02Å
219	I	93.1	Very high	94.7	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.021	4%	0.042	C	C	.	.	H	α-helix	trans	-81	-39.4	-171.3	-152.6	62.2	0	0	0	112.7	A217 R223 F337 L357 T405 F409	A217-I219 PolarHBondContact O-N 3.4Å; I219-R223 WeakPolarHBondContact O-CB 3.22Å; I219-R223 PolarHBondContact O-N 3.43Å; I219-F337 HydrophobicContact CG2-CE2 4.03Å; I219-F337 HydrophobicContact CG2-CZ 3.95Å; I219-L357 HydrophobicContact CD1-CD2 3.77Å; I219-T405 HydrophobicContact CD1-CG2 3.75Å; I219-F409 HydrophobicContact CB-CD1 4.25Å; I219-F409 HydrophobicContact CB-CG 4.33Å; I219-F409 HydrophobicContact CD1-CB 3.83Å; I219-F409 HydrophobicContact CD1-CD1 4.47Å; I219-F409 HydrophobicContact CD1-CG 4.24Å; I219-F409 HydrophobicContact CG1-CB 3.45Å; I219-F409 VanDerWaalsContact CG1-CB 3.45Å; I219-F409 HydrophobicContact CG1-CD1 3.35Å; I219-F409 HydrophobicContact CG1-CD2 3.94Å; I219-F409 HydrophobicContact CG1-CE1 4.07Å; I219-F409 HydrophobicContact CG1-CG 3.3Å; I219-F409 HydrophobicContact CG2-CD1 3.89Å; I219-F409 HydrophobicContact CG2-CD2 4.07Å; I219-F409 HydrophobicContact CG2-CE1 3.7Å; I219-F409 HydrophobicContact CG2-CE2 3.89Å; I219-F409 HydrophobicContact CG2-CG 4.1Å; I219-F409 HydrophobicContact CG2-CZ 3.73Å
220	T	96.3	Very high	95.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68.9	-37.1	179	42.7	0	0	0	0	111.4	A217 Y224 Y423 M438 N447 L450 Y451	A217-T220 WeakPolarHBondContact CA-OG1 3.32Å; A217-T220 PolarHBondContact O-N 3.21Å; A217-T220 PolarHBondContact O-OG1 2.98Å; T220-Y224 PolarHBondContact O-N 2.92Å; T220-Y224 VanDerWaalsContact O-N 3.07Å; T220-Y423 HydrophobicContact CG2-CE2 4.21Å; T220-M438 VanDerWaalsContact C-SD 3.55Å; T220-N447 HydrophobicContact CG2-CB 4.45Å; T220-N447 WeakPolarHBondContact CG2-O 3.45Å; T220-N447 PolarHBondContact OG1-OD1 2.72Å; T220-L450 HydrophobicContact CG2-CB 4Å; T220-Y451 HydrophobicContact CG2-CD2 4.11Å
221	W	98.3	Very high	95.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-64.3	-52.8	176.9	-168.4	102.7	0	0	0	111.2	H191 A217 R223 Y224 H225 M438 V439 F441	H191-W221 HydrophobicContact CB-CH2 3.88Å; H191-W221 HydrophobicContact CB-CZ3 4.46Å; H191-W221 AromaticContact CD2-CH2 3.8Å; H191-W221 AromaticContact CD2-CZ3 3.57Å; A217-W221 WeakPolarHBondContact O-CB 3.16Å; A217-W221 PolarHBondContact O-N 3.12Å; W221-R223 VanDerWaalsContact C-N 3.33Å; W221-R223 PolarHBondContact O-N 3.24Å; W221-Y224 PolarHBondContact O-N 3.24Å; W221-H225 HydrophobicContact CE3-CB 4.06Å; W221-H225 HydrophobicContact CH2-CB 4.21Å; W221-H225 AromaticContact CH2-CD2 3.82Å; W221-H225 AromaticContact CH2-CE1 3.9Å; W221-H225 AromaticContact CH2-CG 3.73Å; W221-H225 AromaticContact CH2-ND1 3.81Å; W221-H225 AromaticContact CH2-NE2 3.91Å; W221-H225 HydrophobicContact CZ3-CB 3.66Å; W221-H225 AromaticContact CZ3-CE1 3.88Å; W221-H225 AromaticContact CZ3-CG 3.46Å; W221-H225 VanDerWaalsContact CZ3-CG 3.46Å; W221-H225 AromaticContact CZ3-ND1 3.36Å; W221-H225 WeakPolarHBondContact CZ3-ND1 3.28Å; W221-H225 WeakPolarHBondContact O-CB 3.39Å; W221-H225 PolarHBondContact O-N 3.01Å; W221-M438 VanDerWaalsContact CA-SD 3.55Å; W221-M438 HydrophobicContact CB-SD 4.19Å; W221-V439 PolarHBondContact NE1-O 2.76Å; W221-F441 AromaticContact CD1-CE2 3.72Å; W221-F441 AromaticContact CD2-CE2 3.9Å; W221-F441 HydrophobicContact CD2-CE2 3.9Å; W221-F441 AromaticContact CD2-CZ 3.94Å; W221-F441 HydrophobicContact CD2-CZ 3.94Å; W221-F441 AromaticContact CE2-CE2 3.58Å; W221-F441 AromaticContact CE2-CZ 3.53Å; W221-F441 HydrophobicContact CE3-CZ 4.38Å; W221-F441 AromaticContact CG-CE2 3.95Å; W221-F441 HydrophobicContact CG-CE2 3.95Å; W221-F441 HydrophobicContact CG-CZ 4.46Å; W221-F441 HydrophobicContact CH2-CZ 4.01Å; W221-F441 HydrophobicContact CZ2-CE1 4.29Å; W221-F441 HydrophobicContact CZ2-CE2 4.11Å; W221-F441 AromaticContact CZ2-CZ 3.59Å; W221-F441 HydrophobicContact CZ2-CZ 3.59Å; W221-F441 HydrophobicContact CZ3-CZ 4.39Å; W221-F441 AromaticContact NE1-CE2 3.48Å; W221-F441 AromaticContact NE1-CZ 3.91Å
222	H	98.4	Very high	95.1	Very high	5 Å²	5	9.6 Å²	9.6	2%	0.023	4%	0.044	C	C	.	.	H	α-helix	trans	-67.7	-32.8	-179.8	-71.4	91.9	0	0	0	112.3	H191 S212 H213 F218 H225 L226 F398 H402	H191-H222 AromaticContact CD2-NE2 3.57Å; H191-H222 AromaticContact NE2-NE2 3.33Å; H191-H222 PolarHBondContact NE2-NE2 2.83Å; S212-H222 PolarHBondContact O-CE1 2.97Å; S212-H222 VanDerWaalsContact O-CE1 3.28Å; H213-H222 AromaticContact CD2-CE1 3.76Å; H213-H222 AromaticContact CE1-CE1 3.66Å; H213-H222 AromaticContact CE1-NE2 3.83Å; H213-H222 AromaticContact NE2-CE1 3.25Å; H213-H222 PolarHBondContact NE2-CE1 3.32Å; H213-H222 AromaticContact NE2-NE2 3.41Å; H213-H222 PolarHBondContact NE2-NE2 3.39Å; F218-H222 AromaticContact CD2-CE1 3.72Å; F218-H222 AromaticContact CD2-ND1 3.59Å; F218-H222 AromaticContact CE2-CE1 3.81Å; F218-H222 AromaticContact CE2-ND1 3.74Å; F218-H222 PolarHBondContact O-N 2.9Å; F218-H222 PolarHBondContact O-ND1 3.11Å; H222-H225 WeakPolarHBondContact O-CB 3.35Å; H222-H225 PolarHBondContact O-N 3.47Å; H222-L226 WeakPolarHBondContact O-CG 3.33Å; H222-L226 PolarHBondContact O-N 3.28Å; H222-F398 AromaticContact CD2-CZ 3.78Å; H222-F398 AromaticContact NE2-CZ 3.94Å; H222-H402 AromaticContact CD2-CE1 3.11Å; H222-H402 PolarHBondContact CD2-CE1 3.31Å; H222-H402 AromaticContact CD2-CG 3.92Å; H222-H402 AromaticContact CD2-ND1 3.24Å; H222-H402 PolarHBondContact CD2-ND1 2.98Å; H222-H402 AromaticContact CD2-NE2 3.73Å; H222-H402 AromaticContact CE1-CE1 3.94Å; H222-H402 AromaticContact CG-CE1 3.63Å; H222-H402 AromaticContact CG-ND1 3.46Å; H222-H402 AromaticContact NE2-CE1 3.36Å; H222-H402 PolarHBondContact NE2-CE1 3.5Å; H222-H402 AromaticContact NE2-ND1 3.97Å; H222-H402 AromaticContact NE2-NE2 3.9Å
223	R	98.3	Very high	95.2	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-59.1	-49.4	171.3	173.7	174.9	-72.7	-161.9	-17.7	111.9	I219 W221 H225 L226 L227 D406 F409 D410 L450 V452 L457 Y459	I219-R223 WeakPolarHBondContact O-CB 3.22Å; I219-R223 PolarHBondContact O-N 3.43Å; W221-R223 VanDerWaalsContact C-N 3.33Å; W221-R223 PolarHBondContact O-N 3.24Å; R223-H225 VanDerWaalsContact C-N 3.33Å; R223-L226 PolarHBondContact O-N 3.3Å; R223-L227 HydrophobicContact CG-CD1 3.96Å; R223-L227 WeakPolarHBondContact O-CB 3.18Å; R223-L227 VanDerWaalsContact O-CG 3.3Å; R223-L227 WeakPolarHBondContact O-CG 3.15Å; R223-L227 PolarHBondContact O-N 2.94Å; R223-D406 IonicContact CZ-OD1 3.7Å; R223-D406 IonicContact NE-OD1 3.71Å; R223-D406 PolarHBondContact NE-OD1 3.44Å; R223-D406 IonicContact NE-OD2 3.38Å; R223-D406 IonicContact NH2-OD1 3.68Å; R223-D406 PolarHBondContact NH2-OD1 3.02Å; R223-F409 VanDerWaalsContact NH1-CE1 3.27Å; R223-D410 IonicContact NH2-OD1 2.95Å; R223-L450 HydrophobicContact CG-CD1 4.29Å; R223-L450 PolarHBondContact NH1-O 3.11Å; R223-V452 PolarHBondContact NH1-O 3.33Å; R223-L457 HydrophobicContact CG-CD1 4.41Å; R223-Y459 PolarHBondContact NE-OH 2.91Å
224	Y	98.1	Very high	95.3	Very high	26 Å²	26	9.8 Å²	9.8	10%	0.102	5%	0.045	C	C	.	.	H	α-helix	trans	-66.1	-37.6	176.2	-173.6	-97.3	0	0	0	111.9	F113 T220 W221 L226 L227 S228 M438 F441 I445 L450	F113-Y224 HydrophobicContact CE2-CD2 4.16Å; F113-Y224 AromaticContact CE2-CE2 3.7Å; F113-Y224 HydrophobicContact CE2-CE2 3.7Å; F113-Y224 HydrophobicContact CZ-CE2 4.38Å; T220-Y224 PolarHBondContact O-N 2.92Å; T220-Y224 VanDerWaalsContact O-N 3.07Å; W221-Y224 PolarHBondContact O-N 3.24Å; Y224-L226 PolarHBondContact O-N 3.49Å; Y224-L227 PolarHBondContact O-N 2.96Å; Y224-S228 VanDerWaalsContact O-CB 3.27Å; Y224-S228 WeakPolarHBondContact O-CB 3.4Å; Y224-S228 PolarHBondContact O-N 3.31Å; Y224-S228 PolarHBondContact O-OG 3.43Å; Y224-M438 HydrophobicContact CG-CE 4.16Å; Y224-F441 HydrophobicContact CD1-CB 4.04Å; Y224-F441 AromaticContact CD1-CD1 3.52Å; Y224-F441 HydrophobicContact CD1-CD1 3.52Å; Y224-F441 AromaticContact CD1-CD2 3.37Å; Y224-F441 HydrophobicContact CD1-CD2 3.37Å; Y224-F441 AromaticContact CD1-CE1 3.72Å; Y224-F441 HydrophobicContact CD1-CE1 3.72Å; Y224-F441 AromaticContact CD1-CE2 3.58Å; Y224-F441 HydrophobicContact CD1-CE2 3.58Å; Y224-F441 AromaticContact CD1-CG 3.35Å; Y224-F441 HydrophobicContact CD1-CG 3.35Å; Y224-F441 AromaticContact CD1-CZ 3.75Å; Y224-F441 HydrophobicContact CD1-CZ 3.75Å; Y224-F441 HydrophobicContact CE1-CB 3.61Å; Y224-F441 AromaticContact CE1-CD1 3.48Å; Y224-F441 HydrophobicContact CE1-CD1 3.48Å; Y224-F441 VanDerWaalsContact CE1-CD1 3.48Å; Y224-F441 AromaticContact CE1-CD2 3.88Å; Y224-F441 HydrophobicContact CE1-CD2 3.88Å; Y224-F441 HydrophobicContact CE1-CE1 4.1Å; Y224-F441 HydrophobicContact CE1-CE2 4.44Å; Y224-F441 AromaticContact CE1-CG 3.37Å; Y224-F441 HydrophobicContact CE1-CG 3.37Å; Y224-F441 HydrophobicContact CG-CD2 4.26Å; Y224-F441 HydrophobicContact CG-CE2 4.33Å; Y224-I445 HydrophobicContact CD1-CG2 4.2Å; Y224-I445 HydrophobicContact CD2-CD1 3.64Å; Y224-I445 HydrophobicContact CD2-CG2 4.15Å; Y224-I445 HydrophobicContact CE1-CG2 4.02Å; Y224-I445 HydrophobicContact CE2-CD1 3.43Å; Y224-I445 VanDerWaalsContact CE2-CD1 3.43Å; Y224-I445 HydrophobicContact CE2-CG1 4.45Å; Y224-I445 HydrophobicContact CE2-CG2 3.94Å; Y224-I445 HydrophobicContact CG-CG2 4.24Å; Y224-L450 HydrophobicContact CD2-CD1 4.21Å; Y224-L450 HydrophobicContact CD2-CD2 4.14Å; Y224-L450 HydrophobicContact CD2-CG 4.42Å
225	H	98.3	Very high	95.5	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-55.8	-49.2	177	-167.6	-145.8	0	0	0	111.4	F187 W221 H222 R223 S228 L229 F398 F441	F187-H225 AromaticContact CD1-CE1 3.93Å; F187-H225 AromaticContact CD1-NE2 3.93Å; F187-H225 AromaticContact CD2-CD2 3.3Å; F187-H225 WeakPolarHBondContact CD2-CD2 3.21Å; F187-H225 AromaticContact CD2-CE1 3.45Å; F187-H225 VanDerWaalsContact CD2-CE1 3.45Å; F187-H225 WeakPolarHBondContact CD2-CE1 3.48Å; F187-H225 AromaticContact CD2-CG 3.84Å; F187-H225 AromaticContact CD2-ND1 3.93Å; F187-H225 AromaticContact CD2-NE2 3.03Å; F187-H225 WeakPolarHBondContact CD2-NE2 3.32Å; F187-H225 AromaticContact CE1-CE1 3.58Å; F187-H225 HydrophobicContact CE2-CB 4.38Å; F187-H225 AromaticContact CE2-CD2 3.38Å; F187-H225 WeakPolarHBondContact CE2-CD2 3.4Å; F187-H225 AromaticContact CE2-CE1 3.08Å; F187-H225 WeakPolarHBondContact CE2-CE1 3.46Å; F187-H225 AromaticContact CE2-CG 3.39Å; F187-H225 AromaticContact CE2-ND1 3.22Å; F187-H225 WeakPolarHBondContact CE2-ND1 3.28Å; F187-H225 AromaticContact CE2-NE2 3.18Å; F187-H225 WeakPolarHBondContact CE2-NE2 3.46Å; F187-H225 AromaticContact CG-CE1 3.87Å; F187-H225 AromaticContact CG-NE2 3.44Å; F187-H225 WeakPolarHBondContact CG-NE2 3.46Å; F187-H225 AromaticContact CZ-CE1 3.13Å; F187-H225 WeakPolarHBondContact CZ-CE1 3.18Å; F187-H225 AromaticContact CZ-ND1 3.41Å; F187-H225 WeakPolarHBondContact CZ-ND1 3.3Å; F187-H225 AromaticContact CZ-NE2 3.67Å; F187-H225 PolarHBondContact O-NE2 3.3Å; W221-H225 HydrophobicContact CE3-CB 4.06Å; W221-H225 HydrophobicContact CH2-CB 4.21Å; W221-H225 AromaticContact CH2-CD2 3.82Å; W221-H225 AromaticContact CH2-CE1 3.9Å; W221-H225 AromaticContact CH2-CG 3.73Å; W221-H225 AromaticContact CH2-ND1 3.81Å; W221-H225 AromaticContact CH2-NE2 3.91Å; W221-H225 HydrophobicContact CZ3-CB 3.66Å; W221-H225 AromaticContact CZ3-CE1 3.88Å; W221-H225 AromaticContact CZ3-CG 3.46Å; W221-H225 VanDerWaalsContact CZ3-CG 3.46Å; W221-H225 AromaticContact CZ3-ND1 3.36Å; W221-H225 WeakPolarHBondContact CZ3-ND1 3.28Å; W221-H225 WeakPolarHBondContact O-CB 3.39Å; W221-H225 PolarHBondContact O-N 3.01Å; H222-H225 WeakPolarHBondContact O-CB 3.35Å; H222-H225 PolarHBondContact O-N 3.47Å; R223-H225 VanDerWaalsContact C-N 3.33Å; H225-S228 PolarHBondContact O-N 3.13Å; H225-S228 PolarHBondContact O-OG 2.95Å; H225-L229 PolarHBondContact O-N 3.41Å; H225-F398 AromaticContact CE1-CE1 3.78Å; H225-F398 AromaticContact ND1-CE1 3.65Å; H225-F441 HydrophobicContact CB-CE1 4.5Å; H225-F441 HydrophobicContact CB-CZ 3.95Å
226	L	98.4	Very high	95.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-47.9	174.6	-68.7	171.4	0	0	0	112.5	H222 R223 Y224 S228 L229 E230 I245 L399 H402 D406	H222-L226 WeakPolarHBondContact O-CG 3.33Å; H222-L226 PolarHBondContact O-N 3.28Å; R223-L226 PolarHBondContact O-N 3.3Å; Y224-L226 PolarHBondContact O-N 3.49Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 3.47Å; L226-E230 VanDerWaalsContact O-CB 3.27Å; L226-E230 WeakPolarHBondContact O-CB 3.34Å; L226-E230 PolarHBondContact O-N 3.48Å; L226-I245 HydrophobicContact CD2-CD1 4.39Å; L226-L399 HydrophobicContact CD2-CD2 3.99Å; L226-H402 HydrophobicContact CD1-CB 4.09Å; L226-H402 HydrophobicContact CD2-CB 4.36Å; L226-H402 HydrophobicContact CG-CB 4.45Å; L226-D406 HydrophobicContact CD1-CB 4.3Å
227	L	97.2	Very high	95.8	Very high	4 Å²	4	18 Å²	18	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-38.4	-179.4	-78.6	171.4	0	0	0	112.5	F113 R223 Y224 R231 L450 L457 Y459	F113-L227 HydrophobicContact CD1-CB 4.2Å; F113-L227 HydrophobicContact CD1-CD1 4.49Å; F113-L227 HydrophobicContact CD1-CD2 4Å; F113-L227 HydrophobicContact CD1-CG 4.48Å; F113-L227 HydrophobicContact CE1-CB 3.65Å; F113-L227 HydrophobicContact CE1-CD2 4.17Å; F113-L227 HydrophobicContact CE1-CG 4.39Å; F113-L227 WeakPolarHBondContact CE1-O 3.37Å; F113-L227 HydrophobicContact CE2-CB 4.44Å; F113-L227 HydrophobicContact CZ-CB 3.78Å; R223-L227 HydrophobicContact CG-CD1 3.96Å; R223-L227 WeakPolarHBondContact O-CB 3.18Å; R223-L227 VanDerWaalsContact O-CG 3.3Å; R223-L227 WeakPolarHBondContact O-CG 3.15Å; R223-L227 PolarHBondContact O-N 2.94Å; Y224-L227 PolarHBondContact O-N 2.96Å; L227-R231 WeakPolarHBondContact O-CB 3.26Å; L227-R231 PolarHBondContact O-N 2.94Å; L227-L450 HydrophobicContact CD1-CD1 4.05Å; L227-L457 HydrophobicContact CD1-CB 4.42Å; L227-L457 HydrophobicContact CD1-CD1 4.03Å; L227-Y459 HydrophobicContact CD1-CE1 4.08Å; L227-Y459 HydrophobicContact CD2-CD1 3.72Å; L227-Y459 HydrophobicContact CD2-CE1 3.76Å; L227-Y459 HydrophobicContact CD2-CG 4.46Å; L227-Y459 HydrophobicContact CG-CE1 4.28Å
228	S	95.6	Very high	95.7	Very high	20 Å²	20	19.9 Å²	19.9	14%	0.14	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-47.3	179	71.6	0	0	0	0	111.2	Y224 H225 L226 R231 E232	Y224-S228 VanDerWaalsContact O-CB 3.27Å; Y224-S228 WeakPolarHBondContact O-CB 3.4Å; Y224-S228 PolarHBondContact O-N 3.31Å; Y224-S228 PolarHBondContact O-OG 3.43Å; H225-S228 PolarHBondContact O-N 3.13Å; H225-S228 PolarHBondContact O-OG 2.95Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 3.43Å; S228-R231 PolarHBondContact O-N 3.36Å; S228-E232 PolarHBondContact O-N 3.46Å
229	L	97.6	Very high	95.5	Very high	5 Å²	5	23 Å²	23	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-48.5	175.4	-179.3	65.2	0	0	0	111.5	I183 F187 H225 L226 R231 E232 L233 I245 L399	I183-L229 HydrophobicContact CG2-CD1 4Å; F187-L229 HydrophobicContact CB-CD1 4.25Å; F187-L229 HydrophobicContact CB-CD2 4.46Å; F187-L229 HydrophobicContact CD1-CD2 4.35Å; F187-L229 HydrophobicContact CD2-CB 3.74Å; F187-L229 HydrophobicContact CD2-CD2 3.76Å; F187-L229 HydrophobicContact CD2-CG 4.23Å; F187-L229 HydrophobicContact CE2-CB 4.18Å; F187-L229 HydrophobicContact CE2-CD2 3.98Å; F187-L229 HydrophobicContact CG-CB 4.5Å; F187-L229 HydrophobicContact CG-CD2 3.96Å; F187-L229 HydrophobicContact CZ-CD2 4.4Å; H225-L229 PolarHBondContact O-N 3.41Å; L226-L229 PolarHBondContact O-N 3.47Å; L229-R231 PolarHBondContact O-N 3.42Å; L229-E232 PolarHBondContact O-N 2.71Å; L229-L233 HydrophobicContact CD1-CD1 4.43Å; L229-L233 HydrophobicContact CD1-CD2 4.15Å; L229-L233 HydrophobicContact CD1-CG 4.13Å; L229-L233 HydrophobicContact CD2-CD1 4.42Å; L229-L233 HydrophobicContact CG-CD1 4Å; L229-L233 HydrophobicContact CG-CG 4.11Å; L229-L233 WeakPolarHBondContact O-CG 3.04Å; L229-L233 PolarHBondContact O-N 2.86Å; L229-I245 HydrophobicContact CD2-CD1 4.45Å; L229-L399 HydrophobicContact CD2-CD1 4.04Å; L229-L399 HydrophobicContact CD2-CD2 3.46Å; L229-L399 VanDerWaalsContact CD2-CD2 3.46Å; L229-L399 HydrophobicContact CD2-CG 4.39Å
230	E	97.9	Very high	95.3	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-54.8	-41.2	-179.9	-172.9	173.3	-105.4	0	0	111.5	R129 L226 L233 Q234 A244 I245	R129-E230 IonicContact CZ-OE1 2.83Å; R129-E230 IonicContact CZ-OE2 3.69Å; R129-E230 IonicContact NE-OE1 3.51Å; R129-E230 PolarHBondContact NE-OE1 3.4Å; R129-E230 IonicContact NE-OE2 3.82Å; R129-E230 IonicContact NH2-OE1 2.85Å; R129-E230 PolarHBondContact NH2-OE1 3.17Å; R129-E230 IonicContact NH2-OE2 2.71Å; R129-E230 PolarHBondContact NH2-OE2 2.87Å; L226-E230 VanDerWaalsContact O-CB 3.27Å; L226-E230 WeakPolarHBondContact O-CB 3.34Å; L226-E230 PolarHBondContact O-N 3.48Å; E230-L233 PolarHBondContact O-N 2.85Å; E230-Q234 WeakPolarHBondContact O-CB 3.36Å; E230-Q234 WeakPolarHBondContact O-CG 3.33Å; E230-Q234 PolarHBondContact O-N 3.25Å; E230-A244 WeakPolarHBondContact OE1-CA 3.38Å; E230-I245 HydrophobicContact CB-CD1 3.76Å; E230-I245 HydrophobicContact CB-CG1 4.04Å; E230-I245 HydrophobicContact CG-CD1 4.42Å; E230-I245 HydrophobicContact CG-CG1 4.15Å; E230-I245 PolarHBondContact OE1-N 3.25Å
231	R	94.7	Very high	95	Very high	26 Å²	26	30.4 Å²	30.4	10%	0.098	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-45	173.6	-179.9	-176.1	-65.1	-150.3	-7.6	112.5	C111 F113 L227 S228 L229 Q234 Q235	C111-R231 PolarHBondContact O-NH1 3.16Å; C111-R231 PolarHBondContact O-NH2 3Å; F113-R231 HydrophobicContact CE1-CB 4.31Å; F113-R231 VanDerWaalsContact CZ-CZ 3.48Å; F113-R231 VanDerWaalsContact CZ-NH2 3.31Å; L227-R231 WeakPolarHBondContact O-CB 3.26Å; L227-R231 PolarHBondContact O-N 2.94Å; S228-R231 PolarHBondContact O-N 3.36Å; L229-R231 PolarHBondContact O-N 3.42Å; R231-Q234 PolarHBondContact O-N 2.86Å; R231-Q235 HydrophobicContact CG-CG 4.29Å; R231-Q235 WeakPolarHBondContact O-CB 3.38Å; R231-Q235 WeakPolarHBondContact O-CG 3.47Å; R231-Q235 PolarHBondContact O-N 2.88Å
232	E	94.4	Very high	94.6	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-41.6	177.9	-68	-58	140.5	0	0	111.2	H155 I183 S228 L229 Q234 Q235 R236	H155-E232 IonicContact CE1-OE2 3.05Å; I183-E232 HydrophobicContact CG2-CB 4.07Å; S228-E232 PolarHBondContact O-N 3.46Å; L229-E232 PolarHBondContact O-N 2.71Å; E232-Q234 PolarHBondContact O-N 3Å; E232-Q235 PolarHBondContact O-N 3.21Å; E232-R236 WeakPolarHBondContact O-CA 3.35Å; E232-R236 WeakPolarHBondContact O-CB 3.45Å; E232-R236 WeakPolarHBondContact O-CG 3.35Å; E232-R236 PolarHBondContact O-N 3.17Å; E232-R236 WeakPolarHBondContact OE2-CG 3.42Å; E232-R236 IonicContact OE2-NE 2.71Å; E232-R236 PolarHBondContact OE2-NE 3.08Å
233	L	96.7	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-62.8	-42.2	175.6	-59.7	-179	0	0	0	111.7	V146 L147 A150 I183 L229 E230 L237 T238 F243	V146-L233 HydrophobicContact CG1-CB 3.94Å; V146-L233 HydrophobicContact CG1-CD1 4.18Å; V146-L233 HydrophobicContact CG1-CD2 3.84Å; V146-L233 HydrophobicContact CG1-CG 4.17Å; L147-L233 HydrophobicContact CD2-CD1 4.04Å; A150-L233 HydrophobicContact CB-CD2 3.53Å; I183-L233 HydrophobicContact CG2-CD2 4.5Å; L229-L233 HydrophobicContact CD1-CD1 4.43Å; L229-L233 HydrophobicContact CD1-CD2 4.15Å; L229-L233 HydrophobicContact CD1-CG 4.13Å; L229-L233 HydrophobicContact CD2-CD1 4.42Å; L229-L233 HydrophobicContact CG-CD1 4Å; L229-L233 HydrophobicContact CG-CG 4.11Å; L229-L233 WeakPolarHBondContact O-CG 3.04Å; L229-L233 PolarHBondContact O-N 2.86Å; E230-L233 PolarHBondContact O-N 2.85Å; L233-L237 HydrophobicContact CD2-CD1 3.68Å; L233-L237 PolarHBondContact O-N 3.36Å; L233-T238 PolarHBondContact O-N 3.37Å; L233-T238 PolarHBondContact O-OG1 3.43Å; L233-F243 HydrophobicContact CB-CD1 4.08Å; L233-F243 HydrophobicContact CB-CE1 3.74Å; L233-F243 HydrophobicContact CB-CZ 4.46Å; L233-F243 HydrophobicContact CD1-CE1 3.64Å; L233-F243 HydrophobicContact CD1-CZ 4.06Å; L233-F243 HydrophobicContact CG-CE1 4.34Å
234	Q	94.4	Very high	94.4	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.065	20%	0.198	C	C	.	.	I	π-helix	trans	-61.5	-51.2	174.8	-74.5	168.5	6.3	0	0	111.9	E230 R231 E232 T238 G239 N240 F243	E230-Q234 WeakPolarHBondContact O-CB 3.36Å; E230-Q234 WeakPolarHBondContact O-CG 3.33Å; E230-Q234 PolarHBondContact O-N 3.25Å; R231-Q234 PolarHBondContact O-N 2.86Å; E232-Q234 PolarHBondContact O-N 3Å; Q234-T238 VanDerWaalsContact CA-OG1 3.31Å; Q234-T238 WeakPolarHBondContact CA-OG1 3.4Å; Q234-T238 PolarHBondContact O-OG1 2.97Å; Q234-G239 VanDerWaalsContact O-CA 3.28Å; Q234-G239 WeakPolarHBondContact O-CA 3.43Å; Q234-G239 PolarHBondContact O-N 3.22Å; Q234-N240 WeakPolarHBondContact CG-O 3.31Å; Q234-F243 HydrophobicContact CG-CB 4.02Å; Q234-F243 HydrophobicContact CG-CD1 4.36Å; Q234-F243 PolarHBondContact NE2-O 2.83Å
235	Q	90.9	Very high	94.4	Very high	95 Å²	95	35.6 Å²	35.6	44%	0.444	19%	0.193	S	C	.	.	I	π-helix	trans	-85.1	-31.6	-168.6	-67.7	-178.3	0.5	0	0	113.9	R231 E232	R231-Q235 HydrophobicContact CG-CG 4.29Å; R231-Q235 WeakPolarHBondContact O-CB 3.38Å; R231-Q235 WeakPolarHBondContact O-CG 3.47Å; R231-Q235 PolarHBondContact O-N 2.88Å; E232-Q235 PolarHBondContact O-N 3.21Å
236	R	90.9	Very high	94.4	Very high	105 Å²	105	35.7 Å²	35.7	40%	0.396	19%	0.194	S	C	.	.	I	π-helix	trans	-101.8	-30.4	-170.5	-52.8	-52.5	-172.9	179.6	5.1	113.5	P156 D157 I183 E232	P156-R236 HydrophobicContact CG-CG 4.36Å; D157-R236 IonicContact OD1-NH2 3.9Å; D157-R236 IonicContact OD2-CZ 2.69Å; D157-R236 IonicContact OD2-NE 2.65Å; D157-R236 IonicContact OD2-NH2 2.63Å; D157-R236 PolarHBondContact OD2-NH2 3.09Å; I183-R236 HydrophobicContact CD1-CB 4.21Å; E232-R236 WeakPolarHBondContact O-CA 3.35Å; E232-R236 WeakPolarHBondContact O-CB 3.45Å; E232-R236 WeakPolarHBondContact O-CG 3.35Å; E232-R236 PolarHBondContact O-N 3.17Å; E232-R236 WeakPolarHBondContact OE2-CG 3.42Å; E232-R236 IonicContact OE2-NE 2.71Å; E232-R236 PolarHBondContact OE2-NE 3.08Å
237	L	93.3	Very high	94.4	Very high	46 Å²	46	36.1 Å²	36.1	24%	0.241	20%	0.196	C	C	.	.	I	π-helix	trans	-114.6	-46.8	-169.5	-56.1	-174	0	0	0	112.9	V146 V149 A150 T153 I183 L233	V146-L237 HydrophobicContact CG1-CB 4.48Å; V146-L237 HydrophobicContact CG1-CD1 4.29Å; V149-L237 HydrophobicContact CG1-CD1 4.18Å; V149-L237 HydrophobicContact CG1-CD2 3.9Å; A150-L237 HydrophobicContact CB-CD1 3.54Å; T153-L237 HydrophobicContact CG2-CD2 4.12Å; I183-L237 HydrophobicContact CD1-CD1 4.31Å; I183-L237 HydrophobicContact CD1-CD2 3.91Å; I183-L237 HydrophobicContact CD1-CG 4.19Å; L233-L237 HydrophobicContact CD2-CD1 3.68Å; L233-L237 PolarHBondContact O-N 3.36Å
238	T	91.7	Very high	94.4	Very high	40 Å²	40	36 Å²	36	25%	0.245	20%	0.195	C	C	.	.	I	π-helix	trans	-93.6	-38	-174.1	59.7	0	0	0	0	113.2	V146 L233 Q234 N240 F243	V146-T238 HydrophobicContact CB-CG2 4.33Å; V146-T238 HydrophobicContact CG1-CG2 4.02Å; V146-T238 HydrophobicContact CG2-CG2 3.32Å; L233-T238 PolarHBondContact O-N 3.37Å; L233-T238 PolarHBondContact O-OG1 3.43Å; Q234-T238 VanDerWaalsContact CA-OG1 3.31Å; Q234-T238 WeakPolarHBondContact CA-OG1 3.4Å; Q234-T238 PolarHBondContact O-OG1 2.97Å; T238-N240 PolarHBondContact O-N 2.9Å; T238-N240 PolarHBondContact OG1-N 2.78Å; T238-N240 VanDerWaalsContact OG1-N 3.1Å; T238-F243 HydrophobicContact CG2-CB 4.48Å; T238-F243 HydrophobicContact CG2-CD2 3.94Å; T238-F243 HydrophobicContact CG2-CE2 4.41Å; T238-F243 HydrophobicContact CG2-CG 4.2Å
239	G	90.3	Very high	94.4	Very high	65 Å²	65	36.7 Å²	36.7	67%	0.67	20%	0.197	S	C	*	.			trans	65.9	8.4	-163.5	0	0	0	0	0	113.2	Q234	Q234-G239 VanDerWaalsContact O-CA 3.28Å; Q234-G239 WeakPolarHBondContact O-CA 3.43Å; Q234-G239 PolarHBondContact O-N 3.22Å
240	N	90.5	Very high	94.2	Very high	50 Å²	50	36.5 Å²	36.5	27%	0.267	20%	0.196	S	C	.	.			trans	-100.6	102.4	-178.1	179.5	4.1	0	0	0	109.1	E142 Q234 T238 N242 F243	E142-N240 PolarHBondContact OE1-ND2 2.71Å; Q234-N240 WeakPolarHBondContact CG-O 3.31Å; T238-N240 PolarHBondContact O-N 2.9Å; T238-N240 PolarHBondContact OG1-N 2.78Å; T238-N240 VanDerWaalsContact OG1-N 3.1Å; N240-N242 PolarHBondContact O-N 3.46Å; N240-N242 VanDerWaalsContact O-N 3.09Å; N240-N242 WeakPolarHBondContact OD1-CB 3.49Å; N240-N242 PolarHBondContact OD1-N 2.69Å; N240-F243 HydrophobicContact CB-CB 4.31Å; N240-F243 WeakPolarHBondContact O-CB 3.26Å; N240-F243 PolarHBondContact O-N 3.04Å; N240-F243 VanDerWaalsContact O-N 3.09Å
241	E	88.3	Confident	93.9	Very high	110 Å²	110	36.3 Å²	36.3	51%	0.514	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.1	-179.4	-65.8	-165.3	175.4	0	0	114.1	K124 V127	K124-E241 WeakPolarHBondContact CE-O 2.68Å; K124-E241 PolarHBondContact NZ-O 2.88Å; V127-E241 VanDerWaalsContact CG2-O 3.3Å; V127-E241 WeakPolarHBondContact CG2-O 3.16Å
242	N	91.1	Very high	93.7	Very high	107 Å²	107	37.3 Å²	37.3	57%	0.572	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.4	178.1	-60.3	-38.9	0	0	0	113.3	N240 A244	N240-N242 PolarHBondContact O-N 3.46Å; N240-N242 VanDerWaalsContact O-N 3.09Å; N240-N242 WeakPolarHBondContact OD1-CB 3.49Å; N240-N242 PolarHBondContact OD1-N 2.69Å; N242-A244 PolarHBondContact O-N 2.95Å
243	F	95.4	Very high	93.4	Very high	10 Å²	10	38 Å²	38	4%	0.044	22%	0.217	C	C	.	.			trans	-57.6	129.2	174.8	175.3	-87.2	0	0	0	109.9	E142 F143 V146 L233 Q234 T238 N240	E142-F243 HydrophobicContact CG-CD2 4.37Å; E142-F243 HydrophobicContact CG-CE2 4.48Å; F143-F243 AromaticContact CD2-CZ 3.99Å; F143-F243 HydrophobicContact CD2-CZ 3.99Å; V146-F243 HydrophobicContact CB-CE2 4.01Å; V146-F243 HydrophobicContact CB-CZ 4.14Å; V146-F243 HydrophobicContact CG1-CE1 4.37Å; V146-F243 HydrophobicContact CG1-CE2 3.99Å; V146-F243 HydrophobicContact CG1-CZ 3.75Å; V146-F243 HydrophobicContact CG2-CE2 4.05Å; L233-F243 HydrophobicContact CB-CD1 4.08Å; L233-F243 HydrophobicContact CB-CE1 3.74Å; L233-F243 HydrophobicContact CB-CZ 4.46Å; L233-F243 HydrophobicContact CD1-CE1 3.64Å; L233-F243 HydrophobicContact CD1-CZ 4.06Å; L233-F243 HydrophobicContact CG-CE1 4.34Å; Q234-F243 HydrophobicContact CG-CB 4.02Å; Q234-F243 HydrophobicContact CG-CD1 4.36Å; Q234-F243 PolarHBondContact NE2-O 2.83Å; T238-F243 HydrophobicContact CG2-CB 4.48Å; T238-F243 HydrophobicContact CG2-CD2 3.94Å; T238-F243 HydrophobicContact CG2-CE2 4.41Å; T238-F243 HydrophobicContact CG2-CG 4.2Å; N240-F243 HydrophobicContact CB-CB 4.31Å; N240-F243 WeakPolarHBondContact O-CB 3.26Å; N240-F243 PolarHBondContact O-N 3.04Å; N240-F243 VanDerWaalsContact O-N 3.09Å
244	A	96.5	Very high	93	Very high	23 Å²	23	42.5 Å²	42.5	19%	0.19	24%	0.238	C	C	.	.			trans	-129	138.5	-174.8	0	0	0	0	0	110.4	V127 V128 R129 E230 N242 P246	V127-A244 HydrophobicContact CG1-CB 3.32Å; V128-A244 WeakPolarHBondContact O-CB 3.46Å; R129-A244 HydrophobicContact CG-CB 4.2Å; E230-A244 WeakPolarHBondContact OE1-CA 3.38Å; N242-A244 PolarHBondContact O-N 2.95Å; A244-P246 WeakPolarHBondContact O-CD 3.3Å
245	I	98	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.262	C	S	.	.			trans	-71.5	116.9	168.4	-62	176.3	0	0	0	107.7	R129 L226 L229 E230 L399 S403	R129-I245 WeakPolarHBondContact CD-O 3.32Å; R129-I245 VanDerWaalsContact CG-O 3.24Å; R129-I245 WeakPolarHBondContact CG-O 3.45Å; L226-I245 HydrophobicContact CD2-CD1 4.39Å; L229-I245 HydrophobicContact CD2-CD1 4.45Å; E230-I245 HydrophobicContact CB-CD1 3.76Å; E230-I245 HydrophobicContact CB-CG1 4.04Å; E230-I245 HydrophobicContact CG-CD1 4.42Å; E230-I245 HydrophobicContact CG-CG1 4.15Å; E230-I245 PolarHBondContact OE1-N 3.25Å; I245-L399 HydrophobicContact CD1-CD2 4.37Å; I245-L399 HydrophobicContact CG2-CB 4.05Å; I245-S403 PolarHBondContact O-OG 2.83Å
246	P	98.4	Very high	92.3	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.019	26%	0.262	C	S	.	.			trans	-68.1	166.6	177.8	30.2	-32.9	0	0	0	110.9	K130 I132 L135 F143 A244 V400 S403	K130-P246 CarbonylContact O-C 3.52Å; K130-P246 VanDerWaalsContact O-CA 3.25Å; K130-P246 WeakPolarHBondContact O-CA 3.45Å; K130-P246 VanDerWaalsContact O-CB 3.3Å; K130-P246 WeakPolarHBondContact O-CB 3.42Å; I132-P246 HydrophobicContact CB-CB 4.16Å; I132-P246 HydrophobicContact CB-CG 4.4Å; I132-P246 HydrophobicContact CG1-CG 4.4Å; L135-P246 HydrophobicContact CD1-CB 3.9Å; L135-P246 HydrophobicContact CD1-CG 4.05Å; F143-P246 HydrophobicContact CD1-CG 4.01Å; F143-P246 HydrophobicContact CD2-CG 4.13Å; F143-P246 HydrophobicContact CE1-CG 3.87Å; F143-P246 HydrophobicContact CE2-CG 4.03Å; F143-P246 HydrophobicContact CG-CG 4.12Å; F143-P246 HydrophobicContact CZ-CG 3.88Å; A244-P246 WeakPolarHBondContact O-CD 3.3Å; P246-V400 HydrophobicContact CG-CG1 4.1Å; P246-S403 VanDerWaalsContact O-CB 3.31Å; P246-S403 WeakPolarHBondContact O-CB 3.17Å; P246-S403 PolarHBondContact O-OG 3.47Å
247	Y	98.5	Very high	92.3	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.039	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-110.8	152.5	172.3	68.2	-97.4	0	0	0	110.8	R129 K130 N131 I132 N249 F404 Y461 A462 I463	R129-Y247 WeakPolarHBondContact O-CE1 3.33Å; K130-Y247 VanDerWaalsContact O-CD1 3.26Å; K130-Y247 WeakPolarHBondContact O-CD1 3.05Å; K130-Y247 PolarHBondContact O-N 2.86Å; N131-Y247 CarbonylContact C-O 3.18Å; N131-Y247 WeakPolarHBondContact CA-O 3.44Å; N131-Y247 HydrophobicContact CB-CD2 4.31Å; N131-Y247 HydrophobicContact CB-CE1 4.32Å; N131-Y247 HydrophobicContact CB-CE2 3.59Å; N131-Y247 VanDerWaalsContact N-CZ 3.32Å; I132-Y247 PolarHBondContact N-O 3.43Å; Y247-N249 HydrophobicContact CE2-CB 4.43Å; Y247-F404 HydrophobicContact CD2-CB 4.41Å; Y247-F404 AromaticContact CD2-CD2 3.57Å; Y247-F404 HydrophobicContact CD2-CD2 3.57Å; Y247-F404 HydrophobicContact CD2-CE2 4.31Å; Y247-F404 HydrophobicContact CD2-CG 4.36Å; Y247-F404 HydrophobicContact CE2-CD2 4.07Å; Y247-F404 HydrophobicContact CE2-CE2 4.38Å; Y247-F404 HydrophobicContact CG-CD2 4.33Å; Y247-Y461 AromaticContact CD1-CD1 3.71Å; Y247-Y461 HydrophobicContact CD1-CD1 3.71Å; Y247-Y461 HydrophobicContact CD1-CE1 4.16Å; Y247-Y461 HydrophobicContact CE1-CD1 4.16Å; Y247-Y461 HydrophobicContact CG-CD1 4.48Å; Y247-A462 PolarHBondContact OH-O 3.39Å; Y247-I463 HydrophobicContact CE1-CB 4.44Å; Y247-I463 HydrophobicContact CE2-CD1 3.89Å; Y247-I463 WeakPolarHBondContact OH-CB 3.46Å
248	W	97.8	Very high	92.4	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	25%	0.249	C	C	.	.			trans	-108	112.9	170.9	167.8	40.2	0	0	0	108.5	I132 F250 D258 V259 L322 V378 I397 V400 F404	I132-W248 HydrophobicContact CG2-CB 4.3Å; W248-F250 VanDerWaalsContact C-N 3.25Å; W248-F250 HydrophobicContact CD2-CB 3.99Å; W248-F250 HydrophobicContact CE3-CB 4.12Å; W248-F250 HydrophobicContact CH2-CB 4.12Å; W248-F250 HydrophobicContact CZ2-CB 3.98Å; W248-F250 HydrophobicContact CZ3-CB 4.2Å; W248-F250 PolarHBondContact O-N 3.25Å; W248-D258 PolarHBondContact NE1-OD1 2.79Å; W248-V259 HydrophobicContact CB-CG1 4.19Å; W248-V259 HydrophobicContact CD2-CG1 4.06Å; W248-V259 HydrophobicContact CD2-CG2 3.77Å; W248-V259 HydrophobicContact CE3-CG2 4Å; W248-V259 HydrophobicContact CG-CG1 3.63Å; W248-V259 HydrophobicContact CG-CG2 4.22Å; W248-V259 HydrophobicContact CH2-CG2 4.28Å; W248-V259 HydrophobicContact CZ2-CG2 4.07Å; W248-V259 HydrophobicContact CZ3-CG2 4.24Å; W248-L322 HydrophobicContact CH2-CD2 4.19Å; W248-L322 HydrophobicContact CZ2-CD1 4Å; W248-L322 HydrophobicContact CZ2-CD2 4.38Å; W248-V378 HydrophobicContact CE3-CG1 4.46Å; W248-V378 HydrophobicContact CH2-CG1 3.81Å; W248-V378 HydrophobicContact CZ3-CG1 3.46Å; W248-V378 VanDerWaalsContact CZ3-CG1 3.46Å; W248-I397 HydrophobicContact CE3-CG2 3.84Å; W248-I397 HydrophobicContact CZ3-CG2 3.64Å; W248-V400 HydrophobicContact CB-CB 3.69Å; W248-V400 HydrophobicContact CB-CG2 3.53Å; W248-V400 HydrophobicContact CE3-CG2 4.43Å; W248-V400 HydrophobicContact CG-CG2 4.43Å; W248-V400 PolarHBondContact N-O 3.28Å; W248-F404 WeakPolarHBondContact O-CB 3.21Å; W248-F404 VanDerWaalsContact O-CG 3.29Å; W248-F404 WeakPolarHBondContact O-CG 3.47Å
249	N	95.7	Very high	92.6	Very high	36 Å²	36	39.6 Å²	39.6	19%	0.193	24%	0.237	C	C	.	.			trans	-70.1	88.9	170.3	-179.2	5.8	0	0	0	109.1	Y247 A251 T252 F404	Y247-N249 HydrophobicContact CE2-CB 4.43Å; N249-A251 PolarHBondContact O-N 3.2Å; N249-A251 WeakPolarHBondContact OD1-CB 3.48Å; N249-A251 PolarHBondContact OD1-N 2.65Å; N249-T252 VanDerWaalsContact O-CG2 3.31Å; N249-T252 WeakPolarHBondContact O-CG2 3.5Å; N249-F404 HydrophobicContact CB-CD2 4.41Å; N249-F404 HydrophobicContact CB-CE2 3.99Å; N249-F404 HydrophobicContact CB-CZ 4.12Å; N249-F404 WeakPolarHBondContact OD1-CE1 3.09Å; N249-F404 WeakPolarHBondContact OD1-CZ 3.35Å
250	F	93.4	Very high	92.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.			trans	-72	-9.4	177.3	57.2	-117.8	0	0	0	112.9	W248 T252 L322 P323 L374 V378 L401 F404	W248-F250 VanDerWaalsContact C-N 3.25Å; W248-F250 HydrophobicContact CD2-CB 3.99Å; W248-F250 HydrophobicContact CE3-CB 4.12Å; W248-F250 HydrophobicContact CH2-CB 4.12Å; W248-F250 HydrophobicContact CZ2-CB 3.98Å; W248-F250 HydrophobicContact CZ3-CB 4.2Å; W248-F250 PolarHBondContact O-N 3.25Å; F250-T252 PolarHBondContact O-N 2.92Å; F250-L322 HydrophobicContact CB-CD2 4.46Å; F250-L322 WeakPolarHBondContact O-CB 3.44Å; F250-P323 HydrophobicContact CD2-CB 4.29Å; F250-P323 HydrophobicContact CD2-CG 3.8Å; F250-P323 HydrophobicContact CE2-CB 4.37Å; F250-P323 HydrophobicContact CE2-CG 3.92Å; F250-L374 HydrophobicContact CE2-CD2 4.13Å; F250-V378 HydrophobicContact CB-CG2 3.8Å; F250-V378 HydrophobicContact CD1-CG2 3.96Å; F250-V378 HydrophobicContact CD2-CG2 3.73Å; F250-V378 HydrophobicContact CE1-CG2 4.42Å; F250-V378 HydrophobicContact CE2-CG2 4.27Å; F250-V378 HydrophobicContact CG-CG2 3.57Å; F250-L401 HydrophobicContact CD1-CG 4.24Å; F250-L401 HydrophobicContact CE1-CD2 4.29Å; F250-L401 HydrophobicContact CE1-CG 4.26Å; F250-F404 HydrophobicContact CD1-CB 4.45Å; F250-F404 AromaticContact CD1-CD1 3.63Å; F250-F404 HydrophobicContact CD1-CD1 3.63Å; F250-F404 HydrophobicContact CD1-CE1 4.39Å; F250-F404 HydrophobicContact CD1-CG 4.48Å; F250-F404 HydrophobicContact CD2-CD1 4.21Å; F250-F404 HydrophobicContact CD2-CE1 4.19Å; F250-F404 HydrophobicContact CE1-CB 4.32Å; F250-F404 AromaticContact CE1-CD1 3.48Å; F250-F404 HydrophobicContact CE1-CD1 3.48Å; F250-F404 VanDerWaalsContact CE1-CD1 3.48Å; F250-F404 HydrophobicContact CE1-CE1 4.3Å; F250-F404 HydrophobicContact CE1-CG 4.38Å; F250-F404 HydrophobicContact CE2-CD1 4.03Å; F250-F404 HydrophobicContact CE2-CE1 4.03Å; F250-F404 HydrophobicContact CG-CD1 4.01Å; F250-F404 HydrophobicContact CG-CE1 4.35Å; F250-F404 AromaticContact CZ-CD1 3.67Å; F250-F404 HydrophobicContact CZ-CD1 3.67Å; F250-F404 HydrophobicContact CZ-CE1 4.1Å
251	A	91.6	Very high	93	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.025	22%	0.216	C	C	.	.			trans	-81.2	50	-172.9	0	0	0	0	0	112.9	N249 P323 T324 M325 V328 F404	N249-A251 PolarHBondContact O-N 3.2Å; N249-A251 WeakPolarHBondContact OD1-CB 3.48Å; N249-A251 PolarHBondContact OD1-N 2.65Å; A251-P323 CarbonylContact C-O 3.55Å; A251-P323 WeakPolarHBondContact CA-O 3.33Å; A251-T324 CarbonylContact O-C 3.58Å; A251-M325 HydrophobicContact CB-CG 4.44Å; A251-M325 HydrophobicContact CB-SD 3.75Å; A251-M325 WeakPolarHBondContact O-CG 3.04Å; A251-M325 PolarHBondContact O-N 3.21Å; A251-M325 VanDerWaalsContact O-N 3.09Å; A251-V328 HydrophobicContact CB-CG2 3.48Å; A251-V328 VanDerWaalsContact CB-CG2 3.48Å; A251-F404 HydrophobicContact CB-CE1 4.14Å; A251-F404 HydrophobicContact CB-CZ 4.41Å
252	T	90.3	Very high	93.3	Very high	47 Å²	47	35.1 Å²	35.1	29%	0.288	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-94.7	-15.8	-172.4	64.9	0	0	0	0	114.6	N249 F250 Q254 L322 P323	N249-T252 VanDerWaalsContact O-CG2 3.31Å; N249-T252 WeakPolarHBondContact O-CG2 3.5Å; F250-T252 PolarHBondContact O-N 2.92Å; T252-Q254 PolarHBondContact O-N 3.22Å; T252-Q254 WeakPolarHBondContact OG1-CB 3.24Å; T252-Q254 WeakPolarHBondContact OG1-CG 3.41Å; T252-Q254 PolarHBondContact OG1-N 3.02Å; T252-L322 WeakPolarHBondContact OG1-CD1 3.49Å; T252-P323 PolarHBondContact N-O 2.83Å
253	G	87.4	Confident	93.5	Very high	33 Å²	33	33.8 Å²	33.8	34%	0.34	20%	0.204	S	C	.	.			trans	68.9	7.1	-171.6	0	0	0	0	0	114.6	L322 P323	G253-L322 WeakPolarHBondContact CA-O 3.38Å; G253-P323 PolarHBondContact N-O 3.28Å
254	Q	88.7	Confident	93.6	Very high	95 Å²	95	33.9 Å²	33.9	44%	0.444	21%	0.205	S	C	.	.			trans	-81.6	156.3	-177.7	-62.4	179.8	29.2	0	0	111.6	T252 L322	T252-Q254 PolarHBondContact O-N 3.22Å; T252-Q254 WeakPolarHBondContact OG1-CB 3.24Å; T252-Q254 WeakPolarHBondContact OG1-CG 3.41Å; T252-Q254 PolarHBondContact OG1-N 3.02Å; Q254-L322 WeakPolarHBondContact O-CB 3.02Å; Q254-L322 PolarHBondContact O-N 3.45Å
255	S	85.3	Confident	93.6	Very high	80 Å²	80	32.8 Å²	32.8	56%	0.559	20%	0.196	S	C	*	.	S	Bend	trans	-90.3	-2.8	176	61.3	0	0	0	0	113.9	M381	S255-M381 VanDerWaalsContact C-CE 3.46Å; S255-M381 WeakPolarHBondContact O-CE 3.41Å
256	E	86.2	Confident	93.5	Very high	98 Å²	98	32.8 Å²	32.8	46%	0.458	20%	0.196	S	C	.	.	S	Bend	trans	-124.9	156.3	-178.7	-64.5	-65.8	164.9	0	0	110.4	R268	E256-R268 IonicContact OE2-CZ 3.77Å; E256-R268 IonicContact OE2-NH1 3.72Å; E256-R268 IonicContact OE2-NH2 3.14Å; E256-R268 PolarHBondContact OE2-NH2 3.45Å; E256-R268 VanDerWaalsContact OE2-NH2 3.14Å
257	C	90.6	Very high	93.2	Very high	21 Å²	21	33.2 Å²	33.2	14%	0.142	20%	0.201	C	C	.	.			trans	-85.3	108.8	177.5	170.9	0	0	0	0	109.8	V259 C260	C257-V259 VanDerWaalsContact SG-CG2 3.56Å; C257-C260 HydrophobicContact CB-CB 3.62Å; C257-C260 WeakPolarHBondContact CB-SG 3.45Å; C257-C260 WeakPolarHBondContact O-CB 3.44Å; C257-C260 PolarHBondContact O-N 3.01Å; C257-C260 WeakPolarHBondContact SG-CB 3.31Å; C257-C260 PolarHBondContact SG-N 3.1Å; C257-C260 CovalentContact SG-SG 2.04Å; C257-C260 PolarHBondContact SG-SG 3.16Å
258	D	93.8	Very high	92.9	Very high	39 Å²	39	40.2 Å²	40.2	21%	0.209	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.1	-178.3	56.5	-2.9	0	0	0	114.1	H133 W248	H133-D258 IonicContact NE2-OD1 2.67Å; H133-D258 IonicContact NE2-OD2 2.85Å; W248-D258 PolarHBondContact NE1-OD1 2.79Å
259	V	95.9	Very high	92.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.5	169.9	-63.6	0	0	0	0	113.7	I132 H133 W248 C257 T261 L264 L265 I397	I132-V259 HydrophobicContact CG2-CG1 3.7Å; H133-V259 WeakPolarHBondContact NE2-CG1 3.39Å; W248-V259 HydrophobicContact CB-CG1 4.19Å; W248-V259 HydrophobicContact CD2-CG1 4.06Å; W248-V259 HydrophobicContact CD2-CG2 3.77Å; W248-V259 HydrophobicContact CE3-CG2 4Å; W248-V259 HydrophobicContact CG-CG1 3.63Å; W248-V259 HydrophobicContact CG-CG2 4.22Å; W248-V259 HydrophobicContact CH2-CG2 4.28Å; W248-V259 HydrophobicContact CZ2-CG2 4.07Å; W248-V259 HydrophobicContact CZ3-CG2 4.24Å; C257-V259 VanDerWaalsContact SG-CG2 3.56Å; V259-T261 PolarHBondContact O-N 3.32Å; V259-L264 HydrophobicContact CB-CD1 4.47Å; V259-L264 HydrophobicContact CG1-CD1 4.42Å; V259-L264 WeakPolarHBondContact O-CB 3.19Å; V259-L265 HydrophobicContact CB-CD1 4.21Å; V259-L265 HydrophobicContact CG2-CD1 4.22Å; V259-L265 PolarHBondContact O-N 3.23Å; V259-I397 HydrophobicContact CG2-CD1 4.47Å; V259-I397 HydrophobicContact CG2-CG1 4.4Å
260	C	94.8	Very high	92.5	Very high	28 Å²	28	44.3 Å²	44.3	19%	0.189	26%	0.255	C	S	.	.			trans	-84.7	61.7	179.7	-62.9	0	0	0	0	110.9	C257 G266 G267	C257-C260 HydrophobicContact CB-CB 3.62Å; C257-C260 WeakPolarHBondContact CB-SG 3.45Å; C257-C260 WeakPolarHBondContact O-CB 3.44Å; C257-C260 PolarHBondContact O-N 3.01Å; C257-C260 WeakPolarHBondContact SG-CB 3.31Å; C257-C260 PolarHBondContact SG-N 3.1Å; C257-C260 CovalentContact SG-SG 2.04Å; C257-C260 PolarHBondContact SG-SG 3.16Å; C260-G266 CarbonylContact C-O 3.4Å; C260-G266 VanDerWaalsContact C-O 3.31Å; C260-G266 WeakPolarHBondContact CA-O 3.35Å; C260-G267 VanDerWaalsContact O-CA 3.31Å; C260-G267 WeakPolarHBondContact O-CA 3.36Å
261	T	95.3	Very high	92.4	Very high	49 Å²	49	51.2 Å²	51.2	30%	0.301	29%	0.292	S	S	.	.	S	Bend	trans	-127.3	155.7	176.3	67.8	0	0	0	0	110.3	V259 S263 L264 L265 G266	V259-T261 PolarHBondContact O-N 3.32Å; T261-S263 PolarHBondContact O-N 3.37Å; T261-S263 PolarHBondContact OG1-OG 3.37Å; T261-L264 CarbonylContact O-C 2.95Å; T261-L264 PolarHBondContact O-N 2.87Å; T261-L264 PolarHBondContact OG1-N 2.96Å; T261-L265 PolarHBondContact O-N 2.71Å; T261-G266 CarbonylContact O-C 3.5Å; T261-G266 VanDerWaalsContact O-CA 3.25Å; T261-G266 WeakPolarHBondContact O-CA 3.49Å; T261-G266 PolarHBondContact O-N 3.38Å
262	D	95.2	Very high	92.4	Very high	54 Å²	54	54 Å²	54	29%	0.289	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.9	-179.9	-70.4	-20.3	0	0	0	113.6	L264 G267 S277 Q279	D262-L264 VanDerWaalsContact C-N 3.31Å; D262-G267 PolarHBondContact OD1-N 3.13Å; D262-S277 WeakPolarHBondContact OD1-CB 3.43Å; D262-S277 PolarHBondContact OD1-OG 3.07Å; D262-S277 WeakPolarHBondContact OD2-CB 3.31Å; D262-S277 PolarHBondContact OD2-OG 2.91Å; D262-Q279 HydrophobicContact CB-CB 4.16Å; D262-Q279 WeakPolarHBondContact OD2-CB 3.16Å
263	S	94.7	Very high	92.2	Very high	79 Å²	79	55.1 Å²	55.1	55%	0.552	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.8	170.3	57.5	0	0	0	0	113.9	T261	T261-S263 PolarHBondContact O-N 3.37Å; T261-S263 PolarHBondContact OG1-OG 3.37Å
264	L	96.6	Very high	92.4	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.068	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-113.8	-177.5	-64.6	177.4	0	0	0	109.9	I132 I140 L144 V259 T261 D262 G266	I132-L264 HydrophobicContact CD1-CD2 4.18Å; I132-L264 HydrophobicContact CG1-CD2 4.06Å; I140-L264 HydrophobicContact CD1-CD2 3.92Å; I140-L264 HydrophobicContact CG1-CD2 4.31Å; I140-L264 HydrophobicContact CG2-CD2 3.98Å; L144-L264 WeakPolarHBondContact CD2-O 3.3Å; V259-L264 HydrophobicContact CB-CD1 4.47Å; V259-L264 HydrophobicContact CG1-CD1 4.42Å; V259-L264 WeakPolarHBondContact O-CB 3.19Å; T261-L264 CarbonylContact O-C 2.95Å; T261-L264 PolarHBondContact O-N 2.87Å; T261-L264 PolarHBondContact OG1-N 2.96Å; D262-L264 VanDerWaalsContact C-N 3.31Å; L264-G266 VanDerWaalsContact C-N 3.33Å; L264-G266 PolarHBondContact O-N 2.84Å
265	L	96.6	Very high	92.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	14.3	-169.7	-60.3	176.2	0	0	0	113.8	I132 F143 L144 V259 T261 F282 R312 P396 I397 V400	I132-L265 HydrophobicContact CD1-CD1 4.38Å; I132-L265 HydrophobicContact CD1-CG 4.4Å; F143-L265 HydrophobicContact CE1-CD2 4.33Å; L144-L265 HydrophobicContact CD2-CD2 4.03Å; V259-L265 HydrophobicContact CB-CD1 4.21Å; V259-L265 HydrophobicContact CG2-CD1 4.22Å; V259-L265 PolarHBondContact O-N 3.23Å; T261-L265 PolarHBondContact O-N 2.71Å; L265-F282 HydrophobicContact CD2-CE2 3.81Å; L265-F282 HydrophobicContact CD2-CZ 4.1Å; L265-R312 VanDerWaalsContact O-CZ 3.31Å; L265-R312 PolarHBondContact O-NH1 2.92Å; L265-R312 PolarHBondContact O-NH2 3.35Å; L265-P396 HydrophobicContact CD2-CB 4.23Å; L265-P396 HydrophobicContact CD2-CG 4.31Å; L265-I397 HydrophobicContact CB-CG1 3.91Å; L265-I397 HydrophobicContact CD1-CB 4.29Å; L265-I397 HydrophobicContact CD1-CG1 3.59Å; L265-I397 HydrophobicContact CG-CG1 4.39Å; L265-V400 HydrophobicContact CD1-CG1 4.44Å; L265-V400 HydrophobicContact CD1-CG2 3.65Å
266	G	95.8	Very high	93.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.			trans	93.7	130.9	174.5	0	0	0	0	0	113.9	C260 T261 L264 S280 R312	C260-G266 CarbonylContact C-O 3.4Å; C260-G266 VanDerWaalsContact C-O 3.31Å; C260-G266 WeakPolarHBondContact CA-O 3.35Å; T261-G266 CarbonylContact O-C 3.5Å; T261-G266 VanDerWaalsContact O-CA 3.25Å; T261-G266 WeakPolarHBondContact O-CA 3.49Å; T261-G266 PolarHBondContact O-N 3.38Å; L264-G266 VanDerWaalsContact C-N 3.33Å; L264-G266 PolarHBondContact O-N 2.84Å; G266-S280 VanDerWaalsContact CA-CB 3.49Å; G266-S280 WeakPolarHBondContact CA-OG 3.4Å; G266-R312 PolarHBondContact O-NH1 3.36Å
267	G	93.1	Very high	93.6	Very high	11 Å²	11	47.2 Å²	47.2	11%	0.113	26%	0.261	C	S	.	.			trans	-80.7	178	176.2	0	0	0	0	0	113.6	C260 D262 I276 S277	C260-G267 VanDerWaalsContact O-CA 3.31Å; C260-G267 WeakPolarHBondContact O-CA 3.36Å; D262-G267 PolarHBondContact OD1-N 3.13Å; G267-I276 CarbonylContact O-C 3.23Å; G267-I276 WeakPolarHBondContact O-CA 3.26Å; G267-S277 PolarHBondContact O-N 3.36Å
268	R	91.9	Very high	93.9	Very high	158 Å²	158	51.9 Å²	51.9	60%	0.596	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-69.5	136.9	171.2	-70.6	-175.1	-175.8	142.4	10.4	110.1	E256	E256-R268 IonicContact OE2-CZ 3.77Å; E256-R268 IonicContact OE2-NH1 3.72Å; E256-R268 IonicContact OE2-NH2 3.14Å; E256-R268 PolarHBondContact OE2-NH2 3.45Å; E256-R268 VanDerWaalsContact OE2-NH2 3.14Å
269	N	93.4	Very high	93.9	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.053	31%	0.31	C	S	.	.			trans	-70.9	131.4	174.1	-173.4	-60.5	0	0	0	110.7	D271 N272 L275 I276 N278	N269-D271 VanDerWaalsContact C-N 3.3Å; N269-D271 PolarHBondContact O-N 2.96Å; N269-D271 WeakPolarHBondContact OD1-CB 3.09Å; N269-D271 PolarHBondContact OD1-N 3.04Å; N269-N272 WeakPolarHBondContact CB-O 3.26Å; N269-N272 CarbonylContact O-C 3.42Å; N269-N272 PolarHBondContact OD1-N 3.39Å; N269-L275 HydrophobicContact CB-CB 4.19Å; N269-L275 VanDerWaalsContact CB-O 3.3Å; N269-L275 WeakPolarHBondContact CB-O 3.25Å; N269-L275 PolarHBondContact N-O 2.87Å; N269-I276 PolarHBondContact ND2-O 2.92Å; N269-N278 PolarHBondContact ND2-OD1 2.76Å; N269-N278 VanDerWaalsContact ND2-OD1 3.1Å
270	P	90.9	Very high	93.9	Very high	113 Å²	113	58 Å²	58	73%	0.734	31%	0.312	S	S	*	.	S	Bend	trans	-62.8	-32.3	179.9	-24.4	34.6	0	0	0	114.6
271	D	92.1	Very high	93.9	Very high	145 Å²	145	59.3 Å²	59.3	78%	0.775	31%	0.313	S	S	*	.	S	Bend	trans	-87.7	-35.9	-175.1	-59.4	-40.5	0	0	0	112	N269	N269-D271 VanDerWaalsContact C-N 3.3Å; N269-D271 PolarHBondContact O-N 2.96Å; N269-D271 WeakPolarHBondContact OD1-CB 3.09Å; N269-D271 PolarHBondContact OD1-N 3.04Å
272	N	91	Very high	93.9	Very high	60 Å²	60	57 Å²	57	32%	0.321	30%	0.299	S	S	.	.			trans	-133.5	101.1	175.4	-175.8	-11.4	0	0	0	110.4	N269 F274 L275	N269-N272 WeakPolarHBondContact CB-O 3.26Å; N269-N272 CarbonylContact O-C 3.42Å; N269-N272 PolarHBondContact OD1-N 3.39Å; N272-F274 PolarHBondContact O-N 3.18Å; N272-F274 WeakPolarHBondContact OD1-CB 3.37Å; N272-F274 WeakPolarHBondContact OD1-CD2 3.3Å; N272-F274 PolarHBondContact OD1-N 2.75Å; N272-F274 VanDerWaalsContact OD1-N 3.11Å; N272-L275 HydrophobicContact CB-CD1 4.13Å; N272-L275 HydrophobicContact CB-CG 4.28Å; N272-L275 PolarHBondContact O-N 3.27Å
273	P	87.1	Confident	94	Very high	72 Å²	72	55.6 Å²	55.6	47%	0.468	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.8	-173.7	27.7	-35.9	0	0	0	114
274	F	91.1	Very high	94	Very high	86 Å²	86	60.1 Å²	60.1	38%	0.377	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-11.3	175.2	-52.6	-46.7	0	0	0	114.1	N272 Q311 R312 G313 M314	N272-F274 PolarHBondContact O-N 3.18Å; N272-F274 WeakPolarHBondContact OD1-CB 3.37Å; N272-F274 WeakPolarHBondContact OD1-CD2 3.3Å; N272-F274 PolarHBondContact OD1-N 2.75Å; N272-F274 VanDerWaalsContact OD1-N 3.11Å; F274-Q311 CarbonylContact O-C 3.52Å; F274-Q311 WeakPolarHBondContact O-CA 3.32Å; F274-R312 CarbonylContact C-O 2.79Å; F274-R312 VanDerWaalsContact CA-O 3.23Å; F274-R312 WeakPolarHBondContact CA-O 3.31Å; F274-R312 PolarHBondContact O-N 3.01Å; F274-G313 WeakPolarHBondContact CD1-O 3.39Å; F274-G313 WeakPolarHBondContact CE1-O 3.39Å; F274-M314 VanDerWaalsContact CD1-CA 3.5Å; F274-M314 WeakPolarHBondContact CE1-O 3.26Å
275	L	94.3	Very high	94	Very high	46 Å²	46	59.7 Å²	59.7	24%	0.241	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-109	161.9	-178.3	-62.7	179.1	0	0	0	111.5	N269 N272 F309 Q311	N269-L275 HydrophobicContact CB-CB 4.19Å; N269-L275 VanDerWaalsContact CB-O 3.3Å; N269-L275 WeakPolarHBondContact CB-O 3.25Å; N269-L275 PolarHBondContact N-O 2.87Å; N272-L275 HydrophobicContact CB-CD1 4.13Å; N272-L275 HydrophobicContact CB-CG 4.28Å; N272-L275 PolarHBondContact O-N 3.27Å; L275-F309 HydrophobicContact CD2-CB 4.28Å; L275-Q311 HydrophobicContact CD2-CG 4.2Å
276	I	95.6	Very high	94	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-74.2	141.2	171.3	-58.8	177.7	0	0	0	109.6	G267 N269 F282 I310	G267-I276 CarbonylContact O-C 3.23Å; G267-I276 WeakPolarHBondContact O-CA 3.26Å; N269-I276 PolarHBondContact ND2-O 2.92Å; I276-F282 HydrophobicContact CD1-CB 3.87Å; I276-F282 HydrophobicContact CG2-CB 4.49Å; I276-I310 HydrophobicContact CD1-CB 3.88Å; I276-I310 HydrophobicContact CD1-CD1 4.1Å; I276-I310 HydrophobicContact CD1-CG2 3.78Å; I276-I310 HydrophobicContact CG1-CG2 4.43Å
277	S	96.3	Very high	94	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.028	30%	0.302	C	S	.	.			trans	-53	136.4	175.2	168.5	0	0	0	0	112	D262 G267 Q279 S280 S283	D262-S277 WeakPolarHBondContact OD1-CB 3.43Å; D262-S277 PolarHBondContact OD1-OG 3.07Å; D262-S277 WeakPolarHBondContact OD2-CB 3.31Å; D262-S277 PolarHBondContact OD2-OG 2.91Å; G267-S277 PolarHBondContact O-N 3.36Å; S277-Q279 PolarHBondContact O-N 3.48Å; S277-Q279 PolarHBondContact OG-N 3.43Å; S277-S280 PolarHBondContact O-N 3.07Å; S277-S283 WeakPolarHBondContact O-CB 3.22Å
278	N	95.5	Very high	94.2	Very high	118 Å²	118	60 Å²	60	63%	0.631	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.8	-179.9	-66.8	-12.7	0	0	0	113.6	N269 S280	N269-N278 PolarHBondContact ND2-OD1 2.76Å; N269-N278 VanDerWaalsContact ND2-OD1 3.1Å; N278-S280 VanDerWaalsContact C-N 3.33Å
279	Q	94.4	Very high	94.4	Very high	161 Å²	161	52.4 Å²	52.4	75%	0.752	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.7	173.9	-56.3	-177.3	39.6	0	0	112	D262 S277	D262-Q279 HydrophobicContact CB-CB 4.16Å; D262-Q279 WeakPolarHBondContact OD2-CB 3.16Å; S277-Q279 PolarHBondContact O-N 3.48Å; S277-Q279 PolarHBondContact OG-N 3.43Å
280	S	95.8	Very high	94.5	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.042	28%	0.28	C	S	.	.	S	Bend	trans	-86.3	137.2	174.3	-177.7	0	0	0	0	110.9	G266 S277 N278 F282 S283	G266-S280 VanDerWaalsContact CA-CB 3.49Å; G266-S280 WeakPolarHBondContact CA-OG 3.4Å; S277-S280 PolarHBondContact O-N 3.07Å; N278-S280 VanDerWaalsContact C-N 3.33Å; S280-F282 PolarHBondContact O-N 3.06Å; S280-F282 WeakPolarHBondContact OG-CD2 3.41Å; S280-F282 PolarHBondContact OG-N 3.38Å; S280-S283 WeakPolarHBondContact O-CB 3.43Å; S280-S283 PolarHBondContact O-N 2.87Å; S280-S283 VanDerWaalsContact O-N 3.13Å; S280-S283 PolarHBondContact O-OG 3.09Å
281	R	94.5	Very high	94.6	Very high	57 Å²	57	51 Å²	51	22%	0.215	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-57.5	-29.2	173.7	61.5	-173.8	71.9	-139.3	14.6	113.3	D145 D148 S283 R284	D145-R281 IonicContact OD1-CZ 2.63Å; D145-R281 IonicContact OD1-NH1 3.97Å; D145-R281 PolarHBondContact OD1-NH1 3.03Å; D145-R281 IonicContact OD1-NH2 3.65Å; D145-R281 PolarHBondContact OD1-NH2 3.08Å; D148-R281 IonicContact OD2-NH1 3.79Å; R281-S283 PolarHBondContact O-N 3.34Å; R281-R284 PolarHBondContact O-N 3.24Å
282	F	96.6	Very high	94.5	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-70.2	-15.2	-179.7	-55.5	-58.1	0	0	0	113.6	L144 L147 L265 I276 S280 R284 W285 P396	L144-F282 HydrophobicContact CD2-CE2 3.64Å; L144-F282 HydrophobicContact CD2-CZ 3.61Å; L147-F282 HydrophobicContact CB-CE1 4.46Å; L147-F282 HydrophobicContact CD1-CZ 4.47Å; L265-F282 HydrophobicContact CD2-CE2 3.81Å; L265-F282 HydrophobicContact CD2-CZ 4.1Å; I276-F282 HydrophobicContact CD1-CB 3.87Å; I276-F282 HydrophobicContact CG2-CB 4.49Å; S280-F282 PolarHBondContact O-N 3.06Å; S280-F282 WeakPolarHBondContact OG-CD2 3.41Å; S280-F282 PolarHBondContact OG-N 3.38Å; F282-R284 PolarHBondContact O-N 3.47Å; F282-W285 AromaticContact CD1-CD2 3.77Å; F282-W285 HydrophobicContact CD1-CD2 3.77Å; F282-W285 AromaticContact CD1-CE2 3.45Å; F282-W285 VanDerWaalsContact CD1-CE2 3.45Å; F282-W285 HydrophobicContact CD1-CE3 4.2Å; F282-W285 HydrophobicContact CD1-CG 4.29Å; F282-W285 HydrophobicContact CD1-CH2 4.09Å; F282-W285 AromaticContact CD1-CZ2 3.64Å; F282-W285 HydrophobicContact CD1-CZ2 3.64Å; F282-W285 HydrophobicContact CD1-CZ3 4.33Å; F282-W285 AromaticContact CD1-NE1 3.76Å; F282-W285 HydrophobicContact CE1-CD2 4.47Å; F282-W285 AromaticContact CE1-CE2 3.82Å; F282-W285 AromaticContact CE1-CH2 3.86Å; F282-W285 HydrophobicContact CE1-CH2 3.86Å; F282-W285 AromaticContact CE1-CZ2 3.49Å; F282-W285 HydrophobicContact CE1-CZ2 3.49Å; F282-W285 VanDerWaalsContact CE1-CZ2 3.49Å; F282-W285 HydrophobicContact CE1-CZ3 4.47Å; F282-W285 WeakPolarHBondContact O-CB 3.18Å; F282-W285 PolarHBondContact O-N 3.11Å; F282-W285 VanDerWaalsContact O-N 3.14Å; F282-P396 HydrophobicContact CD1-CB 4.46Å; F282-P396 HydrophobicContact CD1-CG 3.7Å; F282-P396 HydrophobicContact CD2-CG 4.13Å; F282-P396 HydrophobicContact CE1-CB 4.11Å; F282-P396 HydrophobicContact CE1-CG 3.79Å; F282-P396 HydrophobicContact CE2-CG 4.21Å; F282-P396 HydrophobicContact CG-CG 3.87Å; F282-P396 HydrophobicContact CZ-CB 4.31Å; F282-P396 HydrophobicContact CZ-CG 4.05Å
283	S	96.1	Very high	94.5	Very high	24 Å²	24	47.8 Å²	47.8	17%	0.168	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.6	171.5	62	0	0	0	0	113.2	S277 S280 R281 F309	S277-S283 WeakPolarHBondContact O-CB 3.22Å; S280-S283 WeakPolarHBondContact O-CB 3.43Å; S280-S283 PolarHBondContact O-N 2.87Å; S280-S283 VanDerWaalsContact O-N 3.13Å; S280-S283 PolarHBondContact O-OG 3.09Å; R281-S283 PolarHBondContact O-N 3.34Å; S283-F309 WeakPolarHBondContact O-CD1 3.13Å
284	R	95.4	Very high	94.7	Very high	174 Å²	174	47.7 Å²	47.7	66%	0.657	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-88.9	-5.7	179.6	-59.3	-175.5	-64.6	-143.7	2.3	113.5	D148 R281 F282 G286	D148-R284 IonicContact OD2-NH2 3.71Å; R281-R284 PolarHBondContact O-N 3.24Å; F282-R284 PolarHBondContact O-N 3.47Å; R284-G286 PolarHBondContact O-N 3.24Å
285	W	97	Very high	94.9	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.015	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-71.7	120.4	-175.9	-79.4	28.8	0	0	0	110.7	L147 D148 K151 Y184 F282 I310 P396	L147-W285 HydrophobicContact CB-CH2 4.11Å; L147-W285 HydrophobicContact CB-CZ2 4.17Å; L147-W285 WeakPolarHBondContact O-CZ2 3.27Å; D148-W285 PolarHBondContact OD1-NE1 2.96Å; K151-W285 HydrophobicContact CB-CD2 4.36Å; K151-W285 HydrophobicContact CB-CH2 4.2Å; K151-W285 HydrophobicContact CB-CZ2 3.7Å; K151-W285 HydrophobicContact CD-CD2 4.08Å; K151-W285 HydrophobicContact CD-CE3 4.03Å; K151-W285 HydrophobicContact CD-CZ3 4.3Å; K151-W285 HydrophobicContact CG-CD2 3.85Å; K151-W285 HydrophobicContact CG-CE3 4.3Å; K151-W285 HydrophobicContact CG-CG 4.18Å; K151-W285 HydrophobicContact CG-CZ2 4.13Å; Y184-W285 HydrophobicContact CD1-CH2 4.23Å; Y184-W285 AromaticContact CD1-CZ3 3.78Å; Y184-W285 HydrophobicContact CD1-CZ3 3.78Å; Y184-W285 AromaticContact CD2-CH2 3.83Å; Y184-W285 HydrophobicContact CD2-CH2 3.83Å; Y184-W285 HydrophobicContact CD2-CZ3 4.11Å; Y184-W285 HydrophobicContact CE1-CE3 4.36Å; Y184-W285 HydrophobicContact CE1-CH2 4.22Å; Y184-W285 AromaticContact CE1-CZ3 3.51Å; Y184-W285 HydrophobicContact CE1-CZ3 3.51Å; Y184-W285 AromaticContact CE2-CH2 3.77Å; Y184-W285 HydrophobicContact CE2-CH2 3.77Å; Y184-W285 AromaticContact CE2-CZ3 3.83Å; Y184-W285 HydrophobicContact CE2-CZ3 3.83Å; Y184-W285 HydrophobicContact CG-CH2 4.06Å; Y184-W285 HydrophobicContact CG-CZ3 4.1Å; Y184-W285 AromaticContact CZ-CZ3 3.55Å; F282-W285 AromaticContact CD1-CD2 3.77Å; F282-W285 HydrophobicContact CD1-CD2 3.77Å; F282-W285 AromaticContact CD1-CE2 3.45Å; F282-W285 VanDerWaalsContact CD1-CE2 3.45Å; F282-W285 HydrophobicContact CD1-CE3 4.2Å; F282-W285 HydrophobicContact CD1-CG 4.29Å; F282-W285 HydrophobicContact CD1-CH2 4.09Å; F282-W285 AromaticContact CD1-CZ2 3.64Å; F282-W285 HydrophobicContact CD1-CZ2 3.64Å; F282-W285 HydrophobicContact CD1-CZ3 4.33Å; F282-W285 AromaticContact CD1-NE1 3.76Å; F282-W285 HydrophobicContact CE1-CD2 4.47Å; F282-W285 AromaticContact CE1-CE2 3.82Å; F282-W285 AromaticContact CE1-CH2 3.86Å; F282-W285 HydrophobicContact CE1-CH2 3.86Å; F282-W285 AromaticContact CE1-CZ2 3.49Å; F282-W285 HydrophobicContact CE1-CZ2 3.49Å; F282-W285 VanDerWaalsContact CE1-CZ2 3.49Å; F282-W285 HydrophobicContact CE1-CZ3 4.47Å; F282-W285 WeakPolarHBondContact O-CB 3.18Å; F282-W285 PolarHBondContact O-N 3.11Å; F282-W285 VanDerWaalsContact O-N 3.14Å; W285-I310 HydrophobicContact CB-CD1 3.72Å; W285-I310 HydrophobicContact CB-CG1 4.35Å; W285-I310 HydrophobicContact CE3-CD1 4.12Å; W285-I310 HydrophobicContact CG-CD1 4.43Å; W285-P396 HydrophobicContact CH2-CB 4.42Å; W285-P396 HydrophobicContact CZ3-CB 4.22Å; W285-P396 HydrophobicContact CZ3-CG 4.36Å
286	G	95.9	Very high	94.8	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-72.1	136.7	167.8	0	0	0	0	0	111.1	K151 R284 N306 G308	K151-G286 VanDerWaalsContact CE-O 3.23Å; K151-G286 WeakPolarHBondContact CE-O 3.34Å; K151-G286 PolarHBondContact NZ-O 2.92Å; R284-G286 PolarHBondContact O-N 3.24Å; G286-N306 VanDerWaalsContact CA-CG 3.43Å; G286-N306 WeakPolarHBondContact CA-ND2 3.08Å; G286-N306 WeakPolarHBondContact CA-OD1 3.44Å; G286-G308 CarbonylContact C-O 3.57Å; G286-G308 VanDerWaalsContact CA-O 3.25Å; G286-G308 WeakPolarHBondContact CA-O 3.28Å
287	V	96.8	Very high	94.7	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-85.9	145.4	171.4	-55.5	0	0	0	0	109.9	N290 N306 E307 G308 I310 T385 N394	V287-N290 HydrophobicContact CG2-CB 4.21Å; V287-N306 CarbonylContact O-C 3.42Å; V287-N306 WeakPolarHBondContact O-CA 3.34Å; V287-E307 HydrophobicContact CG2-CB 4.37Å; V287-E307 PolarHBondContact O-N 2.71Å; V287-G308 PolarHBondContact N-O 2.66Å; V287-I310 HydrophobicContact CG1-CB 4.47Å; V287-I310 HydrophobicContact CG1-CG1 3.86Å; V287-T385 HydrophobicContact CG1-CG2 4.08Å; V287-N394 VanDerWaalsContact CA-OD1 3.3Å; V287-N394 WeakPolarHBondContact CA-OD1 3.34Å; V287-N394 HydrophobicContact CB-CB 4.21Å; V287-N394 HydrophobicContact CG1-CB 4Å
288	V	97.1	Very high	94.6	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	26%	0.258	C	S	.	.			trans	-116.9	158.5	171.1	-60	0	0	0	0	109.7	D185 V188 N290 G304 N394	D185-V288 HydrophobicContact CB-CG1 4.48Å; D185-V288 HydrophobicContact CB-CG2 4.21Å; V188-V288 HydrophobicContact CB-CG2 3.96Å; V188-V288 HydrophobicContact CG1-CG2 3.62Å; V288-N290 VanDerWaalsContact C-N 3.33Å; V288-N290 PolarHBondContact O-N 3.39Å; V288-G304 WeakPolarHBondContact CG1-O 3.5Å; V288-N394 PolarHBondContact N-OD1 2.92Å; V288-N394 PolarHBondContact O-ND2 3.2Å
289	C	95.9	Very high	94.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	66.8	26.4	170.8	-46	0	0	0	0	115.7	Y192 Y295 C302 H390	Y192-C289 HydrophobicContact CD1-CB 4.14Å; Y192-C289 HydrophobicContact CD2-CB 3.67Å; Y192-C289 HydrophobicContact CE2-CB 4.31Å; Y192-C289 HydrophobicContact CG-CB 3.58Å; C289-Y295 VanDerWaalsContact CA-OH 3.31Å; C289-Y295 WeakPolarHBondContact CA-OH 3.48Å; C289-C302 WeakPolarHBondContact CA-SG 3.39Å; C289-C302 HydrophobicContact CB-CB 3.59Å; C289-C302 WeakPolarHBondContact CB-SG 3.49Å; C289-C302 PolarHBondContact N-SG 3.5Å; C289-C302 WeakPolarHBondContact SG-CB 3.5Å; C289-C302 CovalentContact SG-SG 2.03Å; C289-C302 PolarHBondContact SG-SG 3.09Å; C289-H390 PolarHBondContact O-CD2 3.04Å; C289-H390 VanDerWaalsContact O-CD2 3.29Å
290	N	94.6	Very high	94.4	Very high	55 Å²	55	42.6 Å²	42.6	29%	0.294	21%	0.208	S	C	.	.			trans	-89.6	-18.1	-177.6	-160.2	52.9	0	0	0	113	V287 V288 L292 E307 S391	V287-N290 HydrophobicContact CG2-CB 4.21Å; V288-N290 VanDerWaalsContact C-N 3.33Å; V288-N290 PolarHBondContact O-N 3.39Å; N290-L292 VanDerWaalsContact C-N 3.28Å; N290-L292 PolarHBondContact O-N 2.85Å; N290-L292 VanDerWaalsContact O-N 3.08Å; N290-E307 WeakPolarHBondContact CA-OE2 3.36Å; N290-E307 HydrophobicContact CB-CB 4.3Å; N290-E307 PolarHBondContact N-OE2 2.92Å; N290-S391 WeakPolarHBondContact OD1-CB 3.38Å; N290-S391 PolarHBondContact OD1-OG 2.81Å; N290-S391 VanDerWaalsContact OD1-OG 3.12Å
291	S	93.3	Very high	94.4	Very high	38 Å²	38	42.5 Å²	42.5	27%	0.266	21%	0.207	S	C	.	.			trans	-87.9	50.4	-174.9	-53.8	0	0	0	0	113.1	D293 D294 Y295 E307	S291-D293 VanDerWaalsContact C-N 3.31Å; S291-D293 PolarHBondContact O-N 3.39Å; S291-D294 PolarHBondContact O-N 2.71Å; S291-Y295 WeakPolarHBondContact O-CD2 3.41Å; S291-Y295 VanDerWaalsContact O-CG 3.3Å; S291-Y295 PolarHBondContact O-N 2.96Å; S291-Y295 VanDerWaalsContact O-N 3.13Å; S291-E307 WeakPolarHBondContact CB-OE2 3.39Å; S291-E307 PolarHBondContact N-OE2 2.82Å; S291-E307 PolarHBondContact OG-OE1 3.29Å; S291-E307 PolarHBondContact OG-OE2 3.33Å
292	L	90.3	Very high	94.4	Very high	28 Å²	28	39.8 Å²	39.8	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-55.4	-42.1	-173.4	-173.8	65.6	0	0	0	113.4	Y192 R196 N290 D294 Y295 N296	Y192-L292 HydrophobicContact CE2-CD1 3.99Å; R196-L292 HydrophobicContact CB-CD1 4.32Å; N290-L292 VanDerWaalsContact C-N 3.28Å; N290-L292 PolarHBondContact O-N 2.85Å; N290-L292 VanDerWaalsContact O-N 3.08Å; L292-D294 VanDerWaalsContact C-N 3.32Å; L292-D294 PolarHBondContact O-N 2.95Å; L292-Y295 PolarHBondContact O-N 3.38Å; L292-N296 WeakPolarHBondContact O-CB 3.49Å; L292-N296 PolarHBondContact O-N 2.67Å; L292-N296 PolarHBondContact O-ND2 3.44Å
293	D	89.9	Confident	94.3	Very high	109 Å²	109	42.9 Å²	42.9	58%	0.583	21%	0.214	S	C	*	.	H	α-helix	trans	-65.3	-33.9	179.5	-77.3	-32.6	0	0	0	112.8	R207 S291 R297	R207-D293 IonicContact NH2-OD1 3.44Å; R207-D293 PolarHBondContact NH2-OD1 2.84Å; S291-D293 VanDerWaalsContact C-N 3.31Å; S291-D293 PolarHBondContact O-N 3.39Å; D293-R297 VanDerWaalsContact O-CB 3.23Å; D293-R297 WeakPolarHBondContact O-CB 3.49Å; D293-R297 PolarHBondContact O-N 3.22Å
294	D	93.2	Very high	94.2	Very high	71 Å²	71	42.7 Å²	42.7	38%	0.38	22%	0.215	S	C	.	.	H	α-helix	trans	-71.3	-41.5	175.5	-85.5	-35.3	0	0	0	111.7	S291 L292 N296 R297 L298	S291-D294 PolarHBondContact O-N 2.71Å; L292-D294 VanDerWaalsContact C-N 3.32Å; L292-D294 PolarHBondContact O-N 2.95Å; D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 3.21Å; D294-R297 PolarHBondContact O-N 3.46Å; D294-R297 IonicContact OD1-CZ 2.78Å; D294-R297 IonicContact OD1-NE 3.61Å; D294-R297 PolarHBondContact OD1-NE 2.91Å; D294-R297 IonicContact OD1-NH2 3.28Å; D294-R297 PolarHBondContact OD1-NH2 3.26Å; D294-L298 VanDerWaalsContact O-CB 3.31Å; D294-L298 WeakPolarHBondContact O-CB 3.27Å; D294-L298 VanDerWaalsContact O-CG 3.31Å; D294-L298 WeakPolarHBondContact O-CG 3.36Å; D294-L298 PolarHBondContact O-N 3.44Å
295	Y	93.8	Very high	94.1	Very high	13 Å²	13	38.2 Å²	38.2	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-43.5	174	-52.9	-29.8	0	0	0	111.3	Y192 C289 S291 L292 V299 T300 C302 E307	Y192-Y295 AromaticContact CE2-CD2 3.71Å; Y192-Y295 HydrophobicContact CE2-CD2 3.71Å; Y192-Y295 AromaticContact CE2-CE2 3.84Å; Y192-Y295 HydrophobicContact CE2-CE2 3.84Å; Y192-Y295 AromaticContact CZ-CD2 3.71Å; Y192-Y295 AromaticContact CZ-CE2 3.97Å; Y192-Y295 WeakPolarHBondContact OH-CD2 3.37Å; C289-Y295 VanDerWaalsContact CA-OH 3.31Å; C289-Y295 WeakPolarHBondContact CA-OH 3.48Å; S291-Y295 WeakPolarHBondContact O-CD2 3.41Å; S291-Y295 VanDerWaalsContact O-CG 3.3Å; S291-Y295 PolarHBondContact O-N 2.96Å; S291-Y295 VanDerWaalsContact O-N 3.13Å; L292-Y295 PolarHBondContact O-N 3.38Å; Y295-V299 WeakPolarHBondContact O-CA 3.37Å; Y295-V299 PolarHBondContact O-N 2.88Å; Y295-T300 WeakPolarHBondContact CB-O 3.44Å; Y295-T300 PolarHBondContact O-N 3.24Å; Y295-T300 VanDerWaalsContact O-N 3.09Å; Y295-C302 HydrophobicContact CE2-CB 3.81Å; Y295-E307 PolarHBondContact OH-OE1 3.05Å; Y295-E307 PolarHBondContact OH-OE2 2.8Å
296	N	92.6	Very high	94.1	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-42	175.6	-74.4	-21.5	0	0	0	112.9	D197 L199 G203 P205 L292 D294	D197-N296 PolarHBondContact OD2-ND2 2.87Å; L199-N296 WeakPolarHBondContact CD2-OD1 3.4Å; G203-N296 PolarHBondContact N-O 3.48Å; P205-N296 HydrophobicContact CB-CB 4.19Å; P205-N296 HydrophobicContact CG-CB 4.19Å; L292-N296 WeakPolarHBondContact O-CB 3.49Å; L292-N296 PolarHBondContact O-N 2.67Å; L292-N296 PolarHBondContact O-ND2 3.44Å; D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 3.21Å
297	R	93.8	Very high	94.1	Very high	140 Å²	140	44.3 Å²	44.3	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-67.4	-41.1	179.5	-176.6	174.9	63.5	102.1	-1.2	111.8	P202 D293 D294	P202-R297 VanDerWaalsContact CA-O 3.3Å; P202-R297 WeakPolarHBondContact CA-O 3.29Å; P202-R297 WeakPolarHBondContact CB-O 3.01Å; D293-R297 VanDerWaalsContact O-CB 3.23Å; D293-R297 WeakPolarHBondContact O-CB 3.49Å; D293-R297 PolarHBondContact O-N 3.22Å; D294-R297 PolarHBondContact O-N 3.46Å; D294-R297 IonicContact OD1-CZ 2.78Å; D294-R297 IonicContact OD1-NE 3.61Å; D294-R297 PolarHBondContact OD1-NE 2.91Å; D294-R297 IonicContact OD1-NH2 3.28Å; D294-R297 PolarHBondContact OD1-NH2 3.26Å
298	L	93.4	Very high	94	Very high	99 Å²	99	45.6 Å²	45.6	52%	0.518	25%	0.249	S	C	.	.	H	α-helix	trans	-92.5	-9.5	-174.5	-61.3	174.9	0	0	0	113.5	D294 T300	D294-L298 VanDerWaalsContact O-CB 3.31Å; D294-L298 WeakPolarHBondContact O-CB 3.27Å; D294-L298 VanDerWaalsContact O-CG 3.31Å; D294-L298 WeakPolarHBondContact O-CG 3.36Å; D294-L298 PolarHBondContact O-N 3.44Å; L298-T300 HydrophobicContact CB-CG2 3.94Å; L298-T300 PolarHBondContact O-N 2.84Å
299	V	92.7	Very high	94	Very high	28 Å²	28	50.6 Å²	50.6	17%	0.17	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	41	-174.7	-163.3	0	0	0	0	110.6	H164 L199 G201 P202 Y295	H164-V299 HydrophobicContact CB-CG1 4.39Å; L199-V299 HydrophobicContact CB-CG1 3.93Å; L199-V299 HydrophobicContact CD1-CG1 4.34Å; G201-V299 VanDerWaalsContact C-CG2 3.43Å; P202-V299 HydrophobicContact CB-CG2 4.46Å; P202-V299 HydrophobicContact CG-CG2 4.05Å; Y295-V299 WeakPolarHBondContact O-CA 3.37Å; Y295-V299 PolarHBondContact O-N 2.88Å
300	T	93.6	Very high	94	Very high	26 Å²	26	50.8 Å²	50.8	16%	0.16	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-116.2	171.8	178.9	57.4	0	0	0	0	110.6	Y295 L298	Y295-T300 WeakPolarHBondContact CB-O 3.44Å; Y295-T300 PolarHBondContact O-N 3.24Å; Y295-T300 VanDerWaalsContact O-N 3.09Å; L298-T300 HydrophobicContact CB-CG2 3.94Å; L298-T300 PolarHBondContact O-N 2.84Å
301	L	95.4	Very high	93.9	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.274	C	S	.	.			trans	-110.7	158.2	174.1	-59.9	175.9	0	0	0	110	A161 T162 Q163 W189 Y193 L199 N303	A161-L301 HydrophobicContact CB-CD1 3.92Å; A161-L301 WeakPolarHBondContact O-CB 3.15Å; T162-L301 PolarHBondContact O-N 3.4Å; Q163-L301 WeakPolarHBondContact O-CD1 3.21Å; W189-L301 HydrophobicContact CZ2-CD1 4.31Å; Y193-L301 HydrophobicContact CD2-CD1 4.28Å; Y193-L301 HydrophobicContact CD2-CD2 4.3Å; Y193-L301 HydrophobicContact CE2-CD1 3.79Å; Y193-L301 HydrophobicContact CE2-CD2 4.18Å; L199-L301 HydrophobicContact CD1-CD2 4.16Å; L301-N303 PolarHBondContact O-N 3Å
302	C	95.7	Very high	93.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.			trans	-49.3	130.1	168	174.2	0	0	0	0	110.7	W189 Y192 C289 Y295	W189-C302 PolarHBondContact NE1-O 2.96Å; Y192-C302 HydrophobicContact CD1-CB 3.75Å; Y192-C302 HydrophobicContact CE1-CB 3.39Å; Y192-C302 HydrophobicContact CE2-CB 4.36Å; Y192-C302 HydrophobicContact CG-CB 4.38Å; Y192-C302 PolarHBondContact OH-N 3.4Å; C289-C302 WeakPolarHBondContact CA-SG 3.39Å; C289-C302 HydrophobicContact CB-CB 3.59Å; C289-C302 WeakPolarHBondContact CB-SG 3.49Å; C289-C302 PolarHBondContact N-SG 3.5Å; C289-C302 WeakPolarHBondContact SG-CB 3.5Å; C289-C302 CovalentContact SG-SG 2.03Å; C289-C302 PolarHBondContact SG-SG 3.09Å; Y295-C302 HydrophobicContact CE2-CB 3.81Å
303	N	94.2	Very high	93.4	Very high	67 Å²	67	50.5 Å²	50.5	36%	0.358	27%	0.27	S	S	.	.			trans	-104	5.8	-175.8	69.8	3	0	0	0	113.8	T162 L301 T305	T162-N303 HydrophobicContact CG2-CB 3.82Å; L301-N303 PolarHBondContact O-N 3Å; N303-T305 VanDerWaalsContact C-N 3.27Å; N303-T305 PolarHBondContact ND2-OG1 3.15Å; N303-T305 PolarHBondContact O-N 3.41Å; N303-T305 WeakPolarHBondContact OD1-CB 3.23Å; N303-T305 PolarHBondContact OD1-N 3.44Å; N303-T305 PolarHBondContact OD1-OG1 2.86Å
304	G	93.4	Very high	92.4	Very high	20 Å²	20	49.1 Å²	49.1	21%	0.206	26%	0.261	C	S	.	.			trans	74.8	10.6	-179.5	0	0	0	0	0	114.7	V288	V288-G304 WeakPolarHBondContact CG1-O 3.5Å
305	T	94.6	Very high	90.9	Very high	79 Å²	79	50 Å²	50	49%	0.485	27%	0.269	S	S	.	.			trans	-75.2	146.7	173.2	-47.3	0	0	0	0	109.8	N303 E307	N303-T305 VanDerWaalsContact C-N 3.27Å; N303-T305 PolarHBondContact ND2-OG1 3.15Å; N303-T305 PolarHBondContact O-N 3.41Å; N303-T305 WeakPolarHBondContact OD1-CB 3.23Å; N303-T305 PolarHBondContact OD1-N 3.44Å; N303-T305 PolarHBondContact OD1-OG1 2.86Å; T305-E307 PolarHBondContact O-N 2.95Å
306	N	95.8	Very high	89	Confident	89 Å²	89	60.7 Å²	60.7	48%	0.476	31%	0.309	S	S	.	.			trans	-65.6	127	176.7	-176.3	-2.9	0	0	0	111.2	G286 V287 G308	G286-N306 VanDerWaalsContact CA-CG 3.43Å; G286-N306 WeakPolarHBondContact CA-ND2 3.08Å; G286-N306 WeakPolarHBondContact CA-OD1 3.44Å; V287-N306 CarbonylContact O-C 3.42Å; V287-N306 WeakPolarHBondContact O-CA 3.34Å; N306-G308 PolarHBondContact OD1-N 3.2Å; N306-G308 PolarHBondContact OD1-O 3.2Å
307	E	95.9	Very high	87.4	Confident	54 Å²	54	67.3 Å²	67.3	25%	0.252	33%	0.334	S	S	.	.			trans	-117.7	18.2	-177.6	-65.3	-177.8	175.2	0	0	113	V287 N290 S291 Y295 T305	V287-E307 HydrophobicContact CG2-CB 4.37Å; V287-E307 PolarHBondContact O-N 2.71Å; N290-E307 WeakPolarHBondContact CA-OE2 3.36Å; N290-E307 HydrophobicContact CB-CB 4.3Å; N290-E307 PolarHBondContact N-OE2 2.92Å; S291-E307 WeakPolarHBondContact CB-OE2 3.39Å; S291-E307 PolarHBondContact N-OE2 2.82Å; S291-E307 PolarHBondContact OG-OE1 3.29Å; S291-E307 PolarHBondContact OG-OE2 3.33Å; Y295-E307 PolarHBondContact OH-OE1 3.05Å; Y295-E307 PolarHBondContact OH-OE2 2.8Å; T305-E307 PolarHBondContact O-N 2.95Å
308	G	95.1	Very high	85.6	Confident	29 Å²	29	66 Å²	66	30%	0.299	34%	0.342	S	S	.	.			trans	134.3	-166.1	176.3	0	0	0	0	0	112.8	G286 V287 N306	G286-G308 CarbonylContact C-O 3.57Å; G286-G308 VanDerWaalsContact CA-O 3.25Å; G286-G308 WeakPolarHBondContact CA-O 3.28Å; V287-G308 PolarHBondContact N-O 2.66Å; N306-G308 PolarHBondContact OD1-N 3.2Å; N306-G308 PolarHBondContact OD1-O 3.2Å
309	F	96.1	Very high	84.1	Confident	109 Å²	109	69.2 Å²	69.2	48%	0.478	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-105.6	162.3	177.2	-60.9	-76.6	0	0	0	110.9	L275 S283 Q311	L275-F309 HydrophobicContact CD2-CB 4.28Å; S283-F309 WeakPolarHBondContact O-CD1 3.13Å; F309-Q311 PolarHBondContact O-N 2.9Å
310	I	96.2	Very high	83.3	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.021	36%	0.361	C	S	.	.			trans	-61	131.4	174.5	-60.2	167.3	0	0	0	109.4	I276 W285 V287 R312 N394 D395	I276-I310 HydrophobicContact CD1-CB 3.88Å; I276-I310 HydrophobicContact CD1-CD1 4.1Å; I276-I310 HydrophobicContact CD1-CG2 3.78Å; I276-I310 HydrophobicContact CG1-CG2 4.43Å; W285-I310 HydrophobicContact CB-CD1 3.72Å; W285-I310 HydrophobicContact CB-CG1 4.35Å; W285-I310 HydrophobicContact CE3-CD1 4.12Å; W285-I310 HydrophobicContact CG-CD1 4.43Å; V287-I310 HydrophobicContact CG1-CB 4.47Å; V287-I310 HydrophobicContact CG1-CG1 3.86Å; I310-R312 HydrophobicContact CG2-CG 4.47Å; I310-N394 WeakPolarHBondContact CD1-O 3.3Å; I310-D395 HydrophobicContact CG2-CB 4.16Å
311	Q	93.9	Very high	82.8	Confident	70 Å²	70	71.7 Å²	71.7	33%	0.327	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-115.6	131.8	178.6	-66.8	179	-18.4	0	0	110.8	F274 L275 F309 M314 T385	F274-Q311 CarbonylContact O-C 3.52Å; F274-Q311 WeakPolarHBondContact O-CA 3.32Å; L275-Q311 HydrophobicContact CD2-CG 4.2Å; F309-Q311 PolarHBondContact O-N 2.9Å; Q311-M314 HydrophobicContact CB-CG 4.13Å; Q311-M314 HydrophobicContact CB-SD 3.98Å; Q311-M314 VanDerWaalsContact OE1-CE 3.22Å; Q311-M314 PolarHBondContact OE1-SD 2.63Å; Q311-T385 PolarHBondContact N-OG1 3.31Å; Q311-T385 PolarHBondContact O-N 3.25Å
312	R	91.8	Very high	82.4	Confident	18 Å²	18	71.5 Å²	71.5	7%	0.068	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-128.9	143.1	177.4	-66.1	-178	-177.7	156.5	2.4	110.4	L265 G266 F274 I310 N383 D395 I397	L265-R312 VanDerWaalsContact O-CZ 3.31Å; L265-R312 PolarHBondContact O-NH1 2.92Å; L265-R312 PolarHBondContact O-NH2 3.35Å; G266-R312 PolarHBondContact O-NH1 3.36Å; F274-R312 CarbonylContact C-O 2.79Å; F274-R312 VanDerWaalsContact CA-O 3.23Å; F274-R312 WeakPolarHBondContact CA-O 3.31Å; F274-R312 PolarHBondContact O-N 3.01Å; I310-R312 HydrophobicContact CG2-CG 4.47Å; R312-N383 CarbonylContact C-O 3.08Å; R312-N383 VanDerWaalsContact C-O 3.23Å; R312-N383 WeakPolarHBondContact CA-O 2.97Å; R312-D395 IonicContact CZ-OD1 3.67Å; R312-D395 IonicContact CZ-OD2 3.38Å; R312-D395 IonicContact NE-OD1 3.48Å; R312-D395 IonicContact NE-OD2 3.47Å; R312-D395 PolarHBondContact NE-OD2 3.38Å; R312-D395 IonicContact NH2-OD1 2.92Å; R312-D395 PolarHBondContact NH2-OD1 2.77Å; R312-D395 IonicContact NH2-OD2 2.76Å; R312-D395 PolarHBondContact NH2-OD2 3Å; R312-I397 VanDerWaalsContact CZ-CD1 3.46Å
313	G	81.7	Confident	82	Confident	26 Å²	26	71.6 Å²	71.6	27%	0.268	38%	0.375	S	S	.	.			trans	70.4	28.5	173.2	0	0	0	0	0	116	F274 V315 L382 N383	F274-G313 WeakPolarHBondContact CD1-O 3.39Å; F274-G313 WeakPolarHBondContact CE1-O 3.39Å; G313-V315 VanDerWaalsContact C-N 3.3Å; G313-V315 PolarHBondContact O-N 2.75Å; G313-L382 PolarHBondContact N-O 2.79Å; G313-N383 PolarHBondContact N-O 2.51Å
314	M	67.6	Low	81.8	Confident	81 Å²	81	70.8 Å²	70.8	40%	0.399	37%	0.372	S	S	.	.			trans	-60	-31.9	-175.4	-67.7	-169.4	82	0	0	115.3	F274 Q311	F274-M314 VanDerWaalsContact CD1-CA 3.5Å; F274-M314 WeakPolarHBondContact CE1-O 3.26Å; Q311-M314 HydrophobicContact CB-CG 4.13Å; Q311-M314 HydrophobicContact CB-SD 3.98Å; Q311-M314 VanDerWaalsContact OE1-CE 3.22Å; Q311-M314 PolarHBondContact OE1-SD 2.63Å
315	V	62.2	Low	81.7	Confident	89 Å²	89	72 Å²	72	54%	0.539	37%	0.373	S	S	.	.	S	Bend	trans	-119.6	123.9	178	-171.9	0	0	0	0	109.2	G313 R317 N383	G313-V315 VanDerWaalsContact C-N 3.3Å; G313-V315 PolarHBondContact O-N 2.75Å; V315-R317 HydrophobicContact CG1-CG 4.49Å; V315-R317 PolarHBondContact O-N 2.72Å; V315-N383 VanDerWaalsContact C-ND2 3.34Å; V315-N383 WeakPolarHBondContact CA-ND2 3.33Å; V315-N383 WeakPolarHBondContact CB-ND2 3.2Å; V315-N383 PolarHBondContact N-ND2 3.32Å; V315-N383 PolarHBondContact O-ND2 2.93Å
316	R	54	Low	81.4	Confident	238 Å²	238	71.6 Å²	71.6	90%	0.898	37%	0.373	S	S	*	.			trans	-75.8	89.8	177.8	-154	176.9	-170.1	161.9	2.6	109.3	T318	R316-T318 PolarHBondContact O-N 3.41Å
317	R	59.8	Low	80.9	Confident	143 Å²	143	69.1 Å²	69.1	54%	0.54	36%	0.36	S	S	.	.			trans	-84.3	107.7	170.7	-69.5	-168.8	176.3	-170.8	2.5	108.8	V315 M320	V315-R317 HydrophobicContact CG1-CG 4.49Å; V315-R317 PolarHBondContact O-N 2.72Å; R317-M320 HydrophobicContact CB-CG 4.49Å; R317-M320 HydrophobicContact CB-SD 3.81Å; R317-M320 WeakPolarHBondContact CD-SD 3.32Å; R317-M320 HydrophobicContact CG-SD 4.18Å
318	T	54	Low	80.5	Confident	113 Å²	113	66.6 Å²	66.6	69%	0.693	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	134.4	170.3	50.1	0	0	0	0	108.7	R316	R316-T318 PolarHBondContact O-N 3.41Å
319	N	63.5	Low	80.2	Confident	167 Å²	167	70.2 Å²	70.2	89%	0.893	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	36.3	178.7	-50.7	-17.1	0	0	0	117
320	M	74.6	Confident	79.6	Confident	41 Å²	41	67.3 Å²	67.3	20%	0.202	35%	0.346	C	S	.	.			trans	-109	127.5	162	-74.2	173.4	72.9	0	0	109.7	R317 L377 A380 M381	R317-M320 HydrophobicContact CB-CG 4.49Å; R317-M320 HydrophobicContact CB-SD 3.81Å; R317-M320 WeakPolarHBondContact CD-SD 3.32Å; R317-M320 HydrophobicContact CG-SD 4.18Å; M320-L377 HydrophobicContact CE-CD1 3.33Å; M320-A380 HydrophobicContact CE-CB 3.84Å; M320-M381 HydrophobicContact CE-CB 4.34Å
321	S	83.5	Confident	78.9	Confident	64 Å²	64	67.1 Å²	67.1	45%	0.448	35%	0.345	S	S	.	.			trans	-107.8	150.2	166.4	54.9	0	0	0	0	109	L377	S321-L377 WeakPolarHBondContact O-CD2 3.39Å
322	L	87.4	Confident	78.5	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	33%	0.33	C	S	.	.			trans	-56.6	158	165.7	-73.9	171.4	0	0	0	110.8	W248 F250 T252 G253 Q254 V378 M381	W248-L322 HydrophobicContact CH2-CD2 4.19Å; W248-L322 HydrophobicContact CZ2-CD1 4Å; W248-L322 HydrophobicContact CZ2-CD2 4.38Å; F250-L322 HydrophobicContact CB-CD2 4.46Å; F250-L322 WeakPolarHBondContact O-CB 3.44Å; T252-L322 WeakPolarHBondContact OG1-CD1 3.49Å; G253-L322 WeakPolarHBondContact CA-O 3.38Å; Q254-L322 WeakPolarHBondContact O-CB 3.02Å; Q254-L322 PolarHBondContact O-N 3.45Å; L322-V378 HydrophobicContact CD2-CG2 3.97Å; L322-M381 HydrophobicContact CD1-SD 4.37Å; L322-M381 HydrophobicContact CD2-CE 4.42Å; L322-M381 HydrophobicContact CD2-SD 3.3Å; L322-M381 WeakPolarHBondContact CD2-SD 3.18Å; L322-M381 HydrophobicContact CG-CE 4.1Å; L322-M381 HydrophobicContact CG-SD 3.46Å; L322-M381 WeakPolarHBondContact CG-SD 3.37Å
323	P	87.9	Confident	78.1	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.013	35%	0.354	C	S	.	.			trans	-54.9	161.9	171.7	-20.4	30	0	0	0	112.1	F250 A251 T252 G253 L374 L377 V378	F250-P323 HydrophobicContact CD2-CB 4.29Å; F250-P323 HydrophobicContact CD2-CG 3.8Å; F250-P323 HydrophobicContact CE2-CB 4.37Å; F250-P323 HydrophobicContact CE2-CG 3.92Å; A251-P323 CarbonylContact C-O 3.55Å; A251-P323 WeakPolarHBondContact CA-O 3.33Å; T252-P323 PolarHBondContact N-O 2.83Å; G253-P323 PolarHBondContact N-O 3.28Å; P323-L374 HydrophobicContact CB-CD2 3.85Å; P323-L374 HydrophobicContact CG-CD2 4.26Å; P323-L377 HydrophobicContact CG-CD2 4.05Å; P323-V378 HydrophobicContact CG-CG2 4.32Å
324	T	90	Very high	78	Confident	50 Å²	50	64.7 Å²	64.7	31%	0.307	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-107.4	160.2	175	70.3	0	0	0	0	111.3	A251 S326 D327 V328	A251-T324 CarbonylContact O-C 3.58Å; T324-S326 PolarHBondContact O-N 3.3Å; T324-S326 WeakPolarHBondContact OG1-CB 3.46Å; T324-S326 PolarHBondContact OG1-N 3.42Å; T324-D327 WeakPolarHBondContact CB-OD2 3.1Å; T324-D327 PolarHBondContact N-OD2 2.75Å; T324-D327 VanDerWaalsContact O-CB 3.31Å; T324-D327 WeakPolarHBondContact O-CB 3.28Å; T324-D327 PolarHBondContact O-N 2.9Å; T324-D327 PolarHBondContact OG1-N 2.78Å; T324-D327 PolarHBondContact OG1-OD2 3.04Å; T324-V328 PolarHBondContact O-N 3.1Å
325	M	90.9	Very high	78.7	Confident	46 Å²	46	69.4 Å²	69.4	23%	0.227	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-23.9	170	-73.6	-56	-53.4	0	0	113	A251 D327 V328 R329 L465	A251-M325 HydrophobicContact CB-CG 4.44Å; A251-M325 HydrophobicContact CB-SD 3.75Å; A251-M325 WeakPolarHBondContact O-CG 3.04Å; A251-M325 PolarHBondContact O-N 3.21Å; A251-M325 VanDerWaalsContact O-N 3.09Å; M325-D327 VanDerWaalsContact C-N 3.32Å; M325-V328 HydrophobicContact CE-CB 4.45Å; M325-V328 HydrophobicContact CE-CG1 4.47Å; M325-R329 VanDerWaalsContact O-CG 3.3Å; M325-R329 WeakPolarHBondContact O-CG 3.42Å; M325-R329 PolarHBondContact O-N 2.86Å; M325-L465 HydrophobicContact CE-CD2 3.72Å
326	S	87.9	Confident	79.6	Confident	69 Å²	69	69.2 Å²	69.2	48%	0.483	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-39.8	171.8	-166.7	0	0	0	0	111.1	T324 R329 S330	T324-S326 PolarHBondContact O-N 3.3Å; T324-S326 WeakPolarHBondContact OG1-CB 3.46Å; T324-S326 PolarHBondContact OG1-N 3.42Å; S326-R329 PolarHBondContact O-N 3Å; S326-S330 PolarHBondContact O-N 2.82Å; S326-S330 PolarHBondContact O-OG 2.98Å; S326-S330 VanDerWaalsContact O-OG 3.07Å
327	D	85.3	Confident	80.7	Confident	38 Å²	38	58 Å²	58	20%	0.203	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-43.3	178.6	-56.9	-37.7	0	0	0	111	T324 M325 R329 S330 C331 P363 L374	T324-D327 WeakPolarHBondContact CB-OD2 3.1Å; T324-D327 PolarHBondContact N-OD2 2.75Å; T324-D327 VanDerWaalsContact O-CB 3.31Å; T324-D327 WeakPolarHBondContact O-CB 3.28Å; T324-D327 PolarHBondContact O-N 2.9Å; T324-D327 PolarHBondContact OG1-N 2.78Å; T324-D327 PolarHBondContact OG1-OD2 3.04Å; M325-D327 VanDerWaalsContact C-N 3.32Å; D327-R329 PolarHBondContact O-N 3.02Å; D327-S330 PolarHBondContact O-N 2.83Å; D327-C331 WeakPolarHBondContact O-CB 3.32Å; D327-C331 PolarHBondContact O-N 3.21Å; D327-P363 HydrophobicContact CB-CB 3.58Å; D327-P363 HydrophobicContact CB-CG 3.54Å; D327-P363 WeakPolarHBondContact O-CB 3.37Å; D327-P363 WeakPolarHBondContact OD1-CG 3.15Å; D327-L374 HydrophobicContact CB-CD2 4.25Å
328	V	87.9	Confident	81.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-45.4	174.6	176	0	0	0	0	111.3	A251 T324 M325 C331 L332 L374 F404 I408 L465	A251-V328 HydrophobicContact CB-CG2 3.48Å; A251-V328 VanDerWaalsContact CB-CG2 3.48Å; T324-V328 PolarHBondContact O-N 3.1Å; M325-V328 HydrophobicContact CE-CB 4.45Å; M325-V328 HydrophobicContact CE-CG1 4.47Å; V328-C331 PolarHBondContact O-N 3.24Å; V328-L332 HydrophobicContact CG1-CD1 4.01Å; V328-L332 HydrophobicContact CG1-CG 4.49Å; V328-L332 WeakPolarHBondContact O-CG 3.32Å; V328-L332 PolarHBondContact O-N 3.13Å; V328-L374 HydrophobicContact CG2-CD2 3.95Å; V328-F404 HydrophobicContact CG2-CE1 4.41Å; V328-I408 HydrophobicContact CG1-CD1 3.99Å; V328-I408 HydrophobicContact CG1-CG1 3.95Å; V328-I408 HydrophobicContact CG1-CG2 4.45Å; V328-I408 HydrophobicContact CG2-CD1 4.07Å; V328-L465 HydrophobicContact CG1-CD2 4.31Å
329	R	87.1	Confident	82.2	Confident	105 Å²	105	47 Å²	47	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-40.7	178.4	-72.3	177.8	-171.4	125.4	-7	112.4	M325 S326 D327 C331 L332 G333 D467	M325-R329 VanDerWaalsContact O-CG 3.3Å; M325-R329 WeakPolarHBondContact O-CG 3.42Å; M325-R329 PolarHBondContact O-N 2.86Å; S326-R329 PolarHBondContact O-N 3Å; D327-R329 PolarHBondContact O-N 3.02Å; R329-C331 VanDerWaalsContact C-N 3.31Å; R329-C331 PolarHBondContact O-N 2.79Å; R329-L332 PolarHBondContact O-N 3.49Å; R329-G333 PolarHBondContact O-N 3.24Å; R329-D467 PolarHBondContact NE-O 3.36Å; R329-D467 PolarHBondContact NH2-O 2.98Å
330	S	83.8	Confident	82.4	Confident	48 Å²	48	42.5 Å²	42.5	34%	0.336	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-44.7	174.5	-66.7	0	0	0	0	111.1	S326 D327 G333 P363	S326-S330 PolarHBondContact O-N 2.82Å; S326-S330 PolarHBondContact O-OG 2.98Å; S326-S330 VanDerWaalsContact O-OG 3.07Å; D327-S330 PolarHBondContact O-N 2.83Å; S330-G333 PolarHBondContact O-N 3.36Å; S330-G333 VanDerWaalsContact O-N 3.1Å; S330-P363 CarbonylContact C-O 3.31Å; S330-P363 WeakPolarHBondContact CB-O 3.18Å
331	C	82.3	Confident	82.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-43.4	178.3	177.9	0	0	0	0	111.7	D327 V328 R329 G333 I334 N353 P363 L374	D327-C331 WeakPolarHBondContact O-CB 3.32Å; D327-C331 PolarHBondContact O-N 3.21Å; V328-C331 PolarHBondContact O-N 3.24Å; R329-C331 VanDerWaalsContact C-N 3.31Å; R329-C331 PolarHBondContact O-N 2.79Å; C331-G333 PolarHBondContact O-N 2.69Å; C331-I334 WeakPolarHBondContact O-CB 3.09Å; C331-I334 PolarHBondContact O-N 2.97Å; C331-I334 VanDerWaalsContact O-N 3.13Å; C331-N353 PolarHBondContact O-ND2 3.06Å; C331-N353 PolarHBondContact SG-ND2 3.05Å; C331-N353 VanDerWaalsContact SG-ND2 3.41Å; C331-P363 VanDerWaalsContact CA-O 3.24Å; C331-P363 WeakPolarHBondContact CA-O 3.24Å; C331-P363 PolarHBondContact N-O 2.91Å; C331-L374 HydrophobicContact CB-CD1 3.83Å
332	L	86	Confident	81.6	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-16.5	175	-71.7	171.2	0	0	0	113.9	V328 R329 I334 I408 E411 W412 F416 L465	V328-L332 HydrophobicContact CG1-CD1 4.01Å; V328-L332 HydrophobicContact CG1-CG 4.49Å; V328-L332 WeakPolarHBondContact O-CG 3.32Å; V328-L332 PolarHBondContact O-N 3.13Å; R329-L332 PolarHBondContact O-N 3.49Å; L332-I334 VanDerWaalsContact C-N 3.26Å; L332-I408 HydrophobicContact CD2-CG2 3.8Å; L332-I408 VanDerWaalsContact CD2-O 3.32Å; L332-I408 WeakPolarHBondContact CD2-O 3.49Å; L332-I408 HydrophobicContact CG-CG2 4.09Å; L332-E411 HydrophobicContact CD1-CG 4.1Å; L332-E411 HydrophobicContact CD2-CB 4.07Å; L332-E411 HydrophobicContact CD2-CG 3.99Å; L332-W412 HydrophobicContact CD2-CB 4.02Å; L332-F416 WeakPolarHBondContact O-CE2 3.36Å; L332-L465 HydrophobicContact CD1-CB 3.89Å; L332-L465 HydrophobicContact CD1-CD1 4.12Å
333	G	83.3	Confident	80.4	Confident	57 Å²	57	44.8 Å²	44.8	59%	0.588	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.1	173.8	0	0	0	0	0	113.8	R329 S330 C331	R329-G333 PolarHBondContact O-N 3.24Å; S330-G333 PolarHBondContact O-N 3.36Å; S330-G333 VanDerWaalsContact O-N 3.1Å; C331-G333 PolarHBondContact O-N 2.69Å
334	I	79.9	Confident	78.9	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.251	C	S	.	.			trans	-84.4	119.2	-177.9	-57.1	172.1	0	0	0	110	C331 L332 R351 N353 A356 W412 F416	C331-I334 WeakPolarHBondContact O-CB 3.09Å; C331-I334 PolarHBondContact O-N 2.97Å; C331-I334 VanDerWaalsContact O-N 3.13Å; L332-I334 VanDerWaalsContact C-N 3.26Å; I334-R351 HydrophobicContact CD1-CB 4.21Å; I334-R351 HydrophobicContact CG1-CB 4.09Å; I334-R351 HydrophobicContact CG2-CB 3.84Å; I334-R351 WeakPolarHBondContact CG2-O 3.36Å; I334-N353 HydrophobicContact CB-CB 4.14Å; I334-N353 HydrophobicContact CG2-CB 4.19Å; I334-N353 VanDerWaalsContact CG2-N 3.35Å; I334-A356 HydrophobicContact CD1-CB 3.77Å; I334-W412 PolarHBondContact O-NE1 2.88Å; I334-F416 WeakPolarHBondContact O-CE2 3.43Å
335	R	81.3	Confident	77.5	Confident	180 Å²	180	47.8 Å²	47.8	68%	0.679	26%	0.257	S	S	*	.			trans	-81.1	-35.7	-176.2	-176.2	175	-174.6	-171.6	1.8	112.8	W412 F416	R335-W412 WeakPolarHBondContact O-CZ2 3.13Å; R335-F416 HydrophobicContact CB-CD1 4.22Å; R335-F416 HydrophobicContact CB-CE1 3.85Å; R335-F416 HydrophobicContact CB-CZ 4.23Å; R335-F416 HydrophobicContact CG-CD1 3.75Å; R335-F416 HydrophobicContact CG-CE1 3.86Å; R335-F416 HydrophobicContact CG-CG 4.44Å
336	E	80.1	Confident	75.9	Confident	85 Å²	85	45.6 Å²	45.6	40%	0.397	25%	0.246	S	C	.	.			trans	-77.5	126.5	-178.6	-66.4	70.1	-156.5	0	0	110.4	M352 N353	E336-M352 HydrophobicContact CB-CE 3.69Å; E336-M352 HydrophobicContact CB-SD 3.74Å; E336-M352 HydrophobicContact CG-CE 4.26Å; E336-N353 PolarHBondContact O-N 3.5Å
337	F	78.3	Confident	74.1	Confident	3 Å²	3	44.2 Å²	44.2	1%	0.013	24%	0.236	C	C	.	.	S	Bend	trans	-67.1	-54.1	179.3	178.8	-115.3	0	0	0	111.7	P216 I219 R354 F409 W412 Y423 Y451	P216-F337 HydrophobicContact CB-CE1 4.21Å; I219-F337 HydrophobicContact CG2-CE2 4.03Å; I219-F337 HydrophobicContact CG2-CZ 3.95Å; F337-R354 HydrophobicContact CE2-CB 4.31Å; F337-R354 HydrophobicContact CZ-CB 4.45Å; F337-R354 HydrophobicContact CZ-CG 4.5Å; F337-R354 VanDerWaalsContact O-CB 3.26Å; F337-R354 WeakPolarHBondContact O-CB 3.48Å; F337-R354 PolarHBondContact O-N 2.98Å; F337-F409 HydrophobicContact CD2-CE2 4.37Å; F337-F409 HydrophobicContact CE2-CD2 4.45Å; F337-F409 AromaticContact CE2-CE2 3.86Å; F337-F409 HydrophobicContact CE2-CE2 3.86Å; F337-W412 HydrophobicContact CB-CH2 3.59Å; F337-W412 HydrophobicContact CB-CZ2 3.85Å; F337-W412 HydrophobicContact CB-CZ3 4.43Å; F337-W412 HydrophobicContact CD2-CE3 4.45Å; F337-W412 AromaticContact CD2-CH2 3.82Å; F337-W412 HydrophobicContact CD2-CH2 3.82Å; F337-W412 HydrophobicContact CD2-CZ2 4.35Å; F337-W412 AromaticContact CD2-CZ3 3.81Å; F337-W412 HydrophobicContact CD2-CZ3 3.81Å; F337-W412 HydrophobicContact CG-CH2 4.05Å; F337-W412 HydrophobicContact CG-CZ3 4.42Å; F337-Y423 HydrophobicContact CD1-CD2 4.25Å; F337-Y423 AromaticContact CE1-CD2 3.5Å; F337-Y423 HydrophobicContact CE1-CD2 3.5Å; F337-Y423 VanDerWaalsContact CE1-CD2 3.5Å; F337-Y423 AromaticContact CE1-CE2 3.77Å; F337-Y423 HydrophobicContact CE1-CE2 3.77Å; F337-Y423 HydrophobicContact CE1-CG 4.26Å; F337-Y423 HydrophobicContact CZ-CD2 4.13Å; F337-Y423 HydrophobicContact CZ-CE2 4.14Å; F337-Y451 WeakPolarHBondContact CB-OH 3.47Å; F337-Y451 HydrophobicContact CD1-CE2 4.08Å; F337-Y451 AromaticContact CD2-CE2 3.89Å; F337-Y451 HydrophobicContact CD2-CE2 3.89Å; F337-Y451 WeakPolarHBondContact CD2-OH 3.4Å; F337-Y451 AromaticContact CE1-CE2 3.83Å; F337-Y451 HydrophobicContact CE1-CE2 3.83Å; F337-Y451 AromaticContact CE2-CE2 3.64Å; F337-Y451 HydrophobicContact CE2-CE2 3.64Å; F337-Y451 HydrophobicContact CG-CE2 4.12Å; F337-Y451 WeakPolarHBondContact CG-OH 3.47Å; F337-Y451 HydrophobicContact CZ-CD2 4.36Å; F337-Y451 AromaticContact CZ-CE2 3.61Å; F337-Y451 HydrophobicContact CZ-CE2 3.61Å
338	D	73.7	Confident	72	Confident	14 Å²	14	51.9 Å²	51.9	8%	0.075	27%	0.268	C	S	.	.			trans	-154.9	167.5	177.5	-151.4	-23.3	0	0	0	109.7	P216 Y342 S346 M352 R354	P216-D338 VanDerWaalsContact CD-OD2 3.32Å; P216-D338 WeakPolarHBondContact CD-OD2 3.45Å; P216-D338 WeakPolarHBondContact CG-OD2 3.28Å; D338-Y342 HydrophobicContact CB-CD1 4.07Å; D338-S346 PolarHBondContact OD1-OG 3.3Å; D338-M352 WeakPolarHBondContact CA-SD 3.27Å; D338-R354 VanDerWaalsContact CG-NH2 3.32Å; D338-R354 IonicContact OD1-CZ 3.64Å; D338-R354 IonicContact OD1-NH2 3.74Å; D338-R354 PolarHBondContact OD1-NH2 2.96Å; D338-R354 IonicContact OD2-CZ 3.76Å; D338-R354 VanDerWaalsContact OD2-CZ 3.23Å; D338-R354 IonicContact OD2-NE 3.58Å; D338-R354 PolarHBondContact OD2-NE 3.41Å; D338-R354 IonicContact OD2-NH2 2.8Å; D338-R354 PolarHBondContact OD2-NH2 3.33Å
339	S	71.3	Confident	69.4	Low	10 Å²	10	56.1 Å²	56.1	7%	0.07	30%	0.298	C	S	.	.			trans	-146	156.5	178	64.5	0	0	0	0	111.5	Y342 S346 M352	S339-Y342 VanDerWaalsContact O-CA 3.31Å; S339-Y342 WeakPolarHBondContact O-CA 3.34Å; S339-Y342 WeakPolarHBondContact O-CD1 3.36Å; S339-Y342 PolarHBondContact O-N 2.85Å; S339-S346 WeakPolarHBondContact O-CB 3.47Å; S339-S346 PolarHBondContact O-OG 3.43Å; S339-M352 VanDerWaalsContact CB-SD 3.53Å; S339-M352 PolarHBondContact N-SD 3.19Å; S339-M352 WeakPolarHBondContact OG-CE 3.26Å; S339-M352 WeakPolarHBondContact OG-CG 3.48Å; S339-M352 PolarHBondContact OG-SD 3.32Å; S339-M352 VanDerWaalsContact OG-SD 3.42Å
340	P	68.9	Low	67.2	Low	73 Å²	73	56.9 Å²	56.9	47%	0.474	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	141.8	173.9	-25.1	32.7	0	0	0	112.1	Y342 S347	P340-Y342 VanDerWaalsContact C-N 3.31Å; P340-Y342 HydrophobicContact CB-CE2 4.18Å; P340-Y342 HydrophobicContact CG-CE1 4.23Å; P340-Y342 HydrophobicContact CG-CE2 3.81Å; P340-S347 VanDerWaalsContact O-CB 3.29Å; P340-S347 WeakPolarHBondContact O-CB 3.11Å; P340-S347 PolarHBondContact O-N 2.82Å; P340-S347 PolarHBondContact O-OG 3.2Å
341	P	69.9	Low	65.6	Low	59 Å²	59	61.1 Å²	61.1	38%	0.383	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	cis	-79.7	13.6	2.8	33.1	-41.1	0	0	0	116.3	F343 N345	P341-F343 VanDerWaalsContact C-N 3.25Å; P341-F343 HydrophobicContact CG-CB 4.37Å; P341-F343 PolarHBondContact O-N 2.87Å; P341-N345 WeakPolarHBondContact CG-OD1 3.36Å
342	Y	69.4	Low	64.3	Low	48 Å²	48	61.2 Å²	61.2	19%	0.188	31%	0.314	C	S	.	.			trans	59.2	35.9	-179.4	-48.1	-70.2	0	0	0	112.7	G215 P216 D338 S339 P340 S346 P424 P429	G215-Y342 WeakPolarHBondContact CA-O 3.47Å; P216-Y342 WeakPolarHBondContact CD-O 3.35Å; P216-Y342 HydrophobicContact CG-CD1 4.46Å; P216-Y342 HydrophobicContact CG-CG 4.46Å; D338-Y342 HydrophobicContact CB-CD1 4.07Å; S339-Y342 VanDerWaalsContact O-CA 3.31Å; S339-Y342 WeakPolarHBondContact O-CA 3.34Å; S339-Y342 WeakPolarHBondContact O-CD1 3.36Å; S339-Y342 PolarHBondContact O-N 2.85Å; P340-Y342 VanDerWaalsContact C-N 3.31Å; P340-Y342 HydrophobicContact CB-CE2 4.18Å; P340-Y342 HydrophobicContact CG-CE1 4.23Å; P340-Y342 HydrophobicContact CG-CE2 3.81Å; Y342-S346 WeakPolarHBondContact CA-OG 3.08Å; Y342-S346 PolarHBondContact N-OG 2.99Å; Y342-P424 HydrophobicContact CD1-CB 4.01Å; Y342-P424 HydrophobicContact CD1-CG 3.81Å; Y342-P424 HydrophobicContact CD2-CB 3.97Å; Y342-P424 HydrophobicContact CD2-CG 4.34Å; Y342-P424 HydrophobicContact CE1-CB 3.8Å; Y342-P424 HydrophobicContact CE1-CG 4.01Å; Y342-P424 HydrophobicContact CE2-CB 3.74Å; Y342-P424 HydrophobicContact CG-CB 4.09Å; Y342-P424 HydrophobicContact CG-CG 3.98Å; Y342-P429 WeakPolarHBondContact O-CD 3.14Å; Y342-P429 VanDerWaalsContact O-CG 3.28Å; Y342-P429 WeakPolarHBondContact O-CG 3.29Å
343	F	63.2	Low	63.2	Low	47 Å²	47	61.2 Å²	61.2	21%	0.206	31%	0.314	C	S	.	.	S	Bend	trans	-128.2	-168.7	-176.6	-162.3	-118.8	0	0	0	110.1	P76 K214 P341 N345 S346 R354 P429	P76-F343 HydrophobicContact CG-CZ 4.2Å; K214-F343 HydrophobicContact CB-CD2 4.22Å; K214-F343 HydrophobicContact CB-CE2 3.78Å; K214-F343 HydrophobicContact CB-CZ 4.35Å; K214-F343 HydrophobicContact CD-CZ 4.4Å; K214-F343 WeakPolarHBondContact O-CA 3.22Å; K214-F343 WeakPolarHBondContact O-CD2 3.33Å; P341-F343 VanDerWaalsContact C-N 3.25Å; P341-F343 HydrophobicContact CG-CB 4.37Å; P341-F343 PolarHBondContact O-N 2.87Å; F343-N345 PolarHBondContact O-N 3.26Å; F343-N345 VanDerWaalsContact O-N 3.13Å; F343-S346 PolarHBondContact N-OG 2.69Å; F343-S346 PolarHBondContact O-N 3.21Å; F343-S346 PolarHBondContact O-OG 2.98Å; F343-S346 VanDerWaalsContact O-OG 3.05Å; F343-R354 PolarHBondContact O-NH2 2.93Å; F343-P429 HydrophobicContact CB-CG 4.43Å; F343-P429 HydrophobicContact CD2-CB 4.38Å; F343-P429 HydrophobicContact CD2-CG 3.59Å; F343-P429 HydrophobicContact CE2-CG 4.36Å; F343-P429 HydrophobicContact CG-CG 4.46Å
344	T	56.9	Low	62.6	Low	34 Å²	34	58.7 Å²	58.7	21%	0.209	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.2	177.5	61.3	0	0	0	0	113.4	K214 N355 Y360	K214-T344 HydrophobicContact CB-CG2 3.64Å; K214-T344 HydrophobicContact CD-CG2 3.95Å; K214-T344 HydrophobicContact CG-CG2 3.54Å; T344-N355 PolarHBondContact O-ND2 3.38Å; T344-Y360 HydrophobicContact CG2-CD1 4.11Å; T344-Y360 HydrophobicContact CG2-CD2 3.78Å; T344-Y360 HydrophobicContact CG2-CE1 4.1Å; T344-Y360 HydrophobicContact CG2-CE2 3.73Å; T344-Y360 HydrophobicContact CG2-CG 3.97Å
345	N	59.8	Low	62.1	Low	82 Å²	82	58.4 Å²	58.4	44%	0.439	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	36.7	178.2	68.1	-17.5	0	0	0	112.5	P341 F343 S347	P341-N345 WeakPolarHBondContact CG-OD1 3.36Å; F343-N345 PolarHBondContact O-N 3.26Å; F343-N345 VanDerWaalsContact O-N 3.13Å; N345-S347 PolarHBondContact O-N 3.28Å
346	S	57.1	Low	61.3	Low	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.			trans	-44.6	133	169.4	-72.2	0	0	0	0	110.2	D338 S339 Y342 F343 R354	D338-S346 PolarHBondContact OD1-OG 3.3Å; S339-S346 WeakPolarHBondContact O-CB 3.47Å; S339-S346 PolarHBondContact O-OG 3.43Å; Y342-S346 WeakPolarHBondContact CA-OG 3.08Å; Y342-S346 PolarHBondContact N-OG 2.99Å; F343-S346 PolarHBondContact N-OG 2.69Å; F343-S346 PolarHBondContact O-N 3.21Å; F343-S346 PolarHBondContact O-OG 2.98Å; F343-S346 VanDerWaalsContact O-OG 3.05Å; S346-R354 PolarHBondContact OG-NH2 3.23Å
347	S	50	Low	60.7	Low	40 Å²	40	45.9 Å²	45.9	28%	0.28	23%	0.234	S	C	.	.			trans	-53.5	145.5	-150.2	63.7	0	0	0	0	117.9	P340 N345 S349 F350	P340-S347 VanDerWaalsContact O-CB 3.29Å; P340-S347 WeakPolarHBondContact O-CB 3.11Å; P340-S347 PolarHBondContact O-N 2.82Å; P340-S347 PolarHBondContact O-OG 3.2Å; N345-S347 PolarHBondContact O-N 3.28Å; S347-S349 PolarHBondContact O-N 3.06Å; S347-F350 PolarHBondContact O-N 3.27Å
348	F	41.1	Very low	60.7	Low	198 Å²	198	45.8 Å²	45.8	87%	0.868	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-9.4	174.3	-73.4	-87	0	0	0	118.2	L367	F348-L367 HydrophobicContact CD1-CD1 4.06Å; F348-L367 HydrophobicContact CD2-CD1 4.49Å; F348-L367 HydrophobicContact CE1-CD1 4.33Å; F348-L367 HydrophobicContact CG-CD1 4.14Å
349	S	33.7	Very low	60.5	Low	90 Å²	90	45.1 Å²	45.1	63%	0.629	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-11.2	-171.7	-167.1	0	0	0	0	114.2	S347	S347-S349 PolarHBondContact O-N 3.06Å
350	F	41.1	Very low	60.1	Low	121 Å²	121	47.2 Å²	47.2	53%	0.531	24%	0.237	S	C	.	.	S	Bend	trans	-144.4	138.2	-173.3	-60.9	-85.2	0	0	0	111.5	S347 M352	S347-F350 PolarHBondContact O-N 3.27Å; F350-M352 HydrophobicContact CB-CE 3.04Å; F350-M352 HydrophobicContact CG-CE 4.24Å; F350-M352 WeakPolarHBondContact O-CE 3.48Å
351	R	49.8	Very low	59.6	Low	137 Å²	137	43.7 Å²	43.7	52%	0.517	21%	0.214	S	C	.	.			trans	-78.9	134	-179.9	-62.5	169.5	-179.3	-142.2	0.1	110.3	I334 D364	I334-R351 HydrophobicContact CD1-CB 4.21Å; I334-R351 HydrophobicContact CG1-CB 4.09Å; I334-R351 HydrophobicContact CG2-CB 3.84Å; I334-R351 WeakPolarHBondContact CG2-O 3.36Å; R351-D364 WeakPolarHBondContact CD-O 3.35Å; R351-D364 WeakPolarHBondContact CG-O 3.34Å; R351-D364 PolarHBondContact NH1-O 3.35Å
352	M	56.6	Low	59.2	Low	2 Å²	2	44 Å²	44	1%	0.01	21%	0.209	C	C	.	.			trans	-121.3	120.7	-173.8	-62.7	-57.9	134.6	0	0	113.6	E336 D338 S339 F350 R354 N355 A356 E361	E336-M352 HydrophobicContact CB-CE 3.69Å; E336-M352 HydrophobicContact CB-SD 3.74Å; E336-M352 HydrophobicContact CG-CE 4.26Å; D338-M352 WeakPolarHBondContact CA-SD 3.27Å; S339-M352 VanDerWaalsContact CB-SD 3.53Å; S339-M352 PolarHBondContact N-SD 3.19Å; S339-M352 WeakPolarHBondContact OG-CE 3.26Å; S339-M352 WeakPolarHBondContact OG-CG 3.48Å; S339-M352 PolarHBondContact OG-SD 3.32Å; S339-M352 VanDerWaalsContact OG-SD 3.42Å; F350-M352 HydrophobicContact CB-CE 3.04Å; F350-M352 HydrophobicContact CG-CE 4.24Å; F350-M352 WeakPolarHBondContact O-CE 3.48Å; M352-R354 VanDerWaalsContact C-N 3.31Å; M352-R354 PolarHBondContact O-N 2.61Å; M352-N355 HydrophobicContact CB-CB 4.05Å; M352-N355 PolarHBondContact O-N 3.02Å; M352-A356 VanDerWaalsContact O-CB 3.31Å; M352-A356 WeakPolarHBondContact O-CB 3.19Å; M352-A356 PolarHBondContact O-N 2.99Å; M352-E361 PolarHBondContact N-OE2 2.8Å
353	N	61.3	Low	58.6	Low	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-41.7	-178.7	-179.8	-93.2	0	0	0	111.3	C331 I334 E336 L357 W412	C331-N353 PolarHBondContact O-ND2 3.06Å; C331-N353 PolarHBondContact SG-ND2 3.05Å; C331-N353 VanDerWaalsContact SG-ND2 3.41Å; I334-N353 HydrophobicContact CB-CB 4.14Å; I334-N353 HydrophobicContact CG2-CB 4.19Å; I334-N353 VanDerWaalsContact CG2-N 3.35Å; E336-N353 PolarHBondContact O-N 3.5Å; N353-L357 WeakPolarHBondContact O-CB 3.29Å; N353-L357 PolarHBondContact O-N 3.4Å; N353-W412 VanDerWaalsContact CG-CD1 3.46Å; N353-W412 VanDerWaalsContact ND2-CD1 3.35Å
354	R	70.9	Confident	58.3	Low	3 Å²	3	42.3 Å²	42.3	1%	0.011	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-50.1	177.8	-173.7	-83.9	-62.6	163.1	10.1	111.8	F337 D338 F343 S346 M352 L357 E358	F337-R354 HydrophobicContact CE2-CB 4.31Å; F337-R354 HydrophobicContact CZ-CB 4.45Å; F337-R354 HydrophobicContact CZ-CG 4.5Å; F337-R354 VanDerWaalsContact O-CB 3.26Å; F337-R354 WeakPolarHBondContact O-CB 3.48Å; F337-R354 PolarHBondContact O-N 2.98Å; D338-R354 VanDerWaalsContact CG-NH2 3.32Å; D338-R354 IonicContact OD1-CZ 3.64Å; D338-R354 IonicContact OD1-NH2 3.74Å; D338-R354 PolarHBondContact OD1-NH2 2.96Å; D338-R354 IonicContact OD2-CZ 3.76Å; D338-R354 VanDerWaalsContact OD2-CZ 3.23Å; D338-R354 IonicContact OD2-NE 3.58Å; D338-R354 PolarHBondContact OD2-NE 3.41Å; D338-R354 IonicContact OD2-NH2 2.8Å; D338-R354 PolarHBondContact OD2-NH2 3.33Å; F343-R354 PolarHBondContact O-NH2 2.93Å; S346-R354 PolarHBondContact OG-NH2 3.23Å; M352-R354 VanDerWaalsContact C-N 3.31Å; M352-R354 PolarHBondContact O-N 2.61Å; R354-L357 PolarHBondContact O-N 3.36Å; R354-E358 WeakPolarHBondContact CD-OE2 3.41Å; R354-E358 IonicContact CZ-OE2 2.69Å; R354-E358 IonicContact NH1-OE2 3.93Å; R354-E358 PolarHBondContact NH1-OE2 3.4Å; R354-E358 WeakPolarHBondContact O-CB 3.42Å; R354-E358 PolarHBondContact O-N 3.27Å
355	N	69.1	Low	58.2	Low	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.6	-35.9	-173.3	-150	42.9	0	0	0	111.6	T344 M352 G359 Y360 E361	T344-N355 PolarHBondContact O-ND2 3.38Å; M352-N355 HydrophobicContact CB-CB 4.05Å; M352-N355 PolarHBondContact O-N 3.02Å; N355-G359 PolarHBondContact O-N 3.33Å; N355-Y360 PolarHBondContact O-N 3.41Å; N355-E361 HydrophobicContact CB-CG 4.31Å; N355-E361 WeakPolarHBondContact CB-OE1 3Å; N355-E361 VanDerWaalsContact ND2-CD 3.34Å; N355-E361 WeakPolarHBondContact ND2-CG 3.27Å; N355-E361 PolarHBondContact ND2-OE1 2.84Å; N355-E361 PolarHBondContact O-N 3.25Å
356	A	64.3	Low	58.2	Low	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-47.9	170.7	0	0	0	0	0	111.8	I334 M352 G359 E361 L374	I334-A356 HydrophobicContact CD1-CB 3.77Å; M352-A356 VanDerWaalsContact O-CB 3.31Å; M352-A356 WeakPolarHBondContact O-CB 3.19Å; M352-A356 PolarHBondContact O-N 2.99Å; A356-G359 WeakPolarHBondContact O-CA 3.43Å; A356-G359 PolarHBondContact O-N 3.17Å; A356-G359 VanDerWaalsContact O-N 3.16Å; A356-E361 HydrophobicContact CB-CB 4.42Å; A356-L374 WeakPolarHBondContact O-CD1 3.35Å
357	L	68.4	Low	58.1	Low	2 Å²	2	43.9 Å²	43.9	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-43.6	179.2	-179.5	57.9	0	0	0	112.6	I219 N353 R354 G359 L374 H375 T405 I408 F409	I219-L357 HydrophobicContact CD1-CD2 3.77Å; N353-L357 WeakPolarHBondContact O-CB 3.29Å; N353-L357 PolarHBondContact O-N 3.4Å; R354-L357 PolarHBondContact O-N 3.36Å; L357-G359 PolarHBondContact O-N 2.79Å; L357-L374 HydrophobicContact CD1-CD1 4.43Å; L357-L374 WeakPolarHBondContact O-CB 3.35Å; L357-H375 WeakPolarHBondContact O-CB 3.47Å; L357-H375 PolarHBondContact O-N 3.4Å; L357-T405 HydrophobicContact CD1-CG2 3.99Å; L357-T405 HydrophobicContact CD2-CG2 3.99Å; L357-T405 HydrophobicContact CG-CG2 3.86Å; L357-I408 HydrophobicContact CD1-CB 4Å; L357-I408 HydrophobicContact CD1-CD1 3.83Å; L357-I408 HydrophobicContact CD1-CG2 3.81Å; L357-I408 HydrophobicContact CD2-CG2 4.42Å; L357-F409 HydrophobicContact CD2-CB 4.29Å
358	E	78.4	Confident	58.5	Low	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-34.4	174.7	-172.8	168.7	-163.5	0	0	111.1	H213 K214 F218 R354 Y360 H375 N376	H213-E358 WeakPolarHBondContact CA-OE1 3.37Å; H213-E358 WeakPolarHBondContact CB-OE1 3.46Å; K214-E358 PolarHBondContact N-OE1 2.83Å; F218-E358 HydrophobicContact CD1-CB 4.01Å; F218-E358 HydrophobicContact CD1-CG 4.24Å; F218-E358 HydrophobicContact CD2-CG 4.17Å; F218-E358 HydrophobicContact CE1-CB 3.94Å; F218-E358 HydrophobicContact CE1-CG 4.25Å; F218-E358 HydrophobicContact CE2-CG 4.19Å; F218-E358 HydrophobicContact CG-CB 4.44Å; F218-E358 HydrophobicContact CG-CG 4.19Å; F218-E358 HydrophobicContact CZ-CB 4.32Å; F218-E358 HydrophobicContact CZ-CG 4.23Å; R354-E358 WeakPolarHBondContact CD-OE2 3.41Å; R354-E358 IonicContact CZ-OE2 2.69Å; R354-E358 IonicContact NH1-OE2 3.93Å; R354-E358 PolarHBondContact NH1-OE2 3.4Å; R354-E358 WeakPolarHBondContact O-CB 3.42Å; R354-E358 PolarHBondContact O-N 3.27Å; E358-Y360 HydrophobicContact CB-CD2 4.33Å; E358-Y360 VanDerWaalsContact CD-CE2 3.43Å; E358-Y360 HydrophobicContact CG-CD2 3.76Å; E358-Y360 HydrophobicContact CG-CE2 3.67Å; E358-Y360 WeakPolarHBondContact OE1-CE2 3.12Å; E358-H375 WeakPolarHBondContact O-CB 3.28Å; E358-H375 PolarHBondContact O-ND1 3.2Å; E358-N376 PolarHBondContact O-N 3.2Å; E358-N376 VanDerWaalsContact O-N 3.1Å; E358-N376 PolarHBondContact O-ND2 3.09Å; E358-N376 PolarHBondContact O-OD1 3.29Å; E358-N376 VanDerWaalsContact O-OD1 3.07Å
359	G	68.9	Low	59.2	Low	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	27.8	171.6	0	0	0	0	0	114.8	N355 A356 L357 N373 N376	N355-G359 PolarHBondContact O-N 3.33Å; A356-G359 WeakPolarHBondContact O-CA 3.43Å; A356-G359 PolarHBondContact O-N 3.17Å; A356-G359 VanDerWaalsContact O-N 3.16Å; L357-G359 PolarHBondContact O-N 2.79Å; G359-N373 WeakPolarHBondContact CA-O 3.06Å; G359-N373 PolarHBondContact O-N 3.4Å; G359-N373 VanDerWaalsContact O-N 3.07Å; G359-N376 PolarHBondContact O-ND2 2.85Å
360	Y	62.6	Low	60.1	Low	54 Å²	54	44 Å²	44	21%	0.212	22%	0.216	C	C	.	.	S	Bend	trans	-95.7	-10.4	171	-69.4	-63.6	0	0	0	112.9	K214 T344 N355 E358 N376	K214-Y360 WeakPolarHBondContact CE-OH 3.39Å; K214-Y360 HydrophobicContact CG-CE2 3.82Å; K214-Y360 WeakPolarHBondContact CG-OH 3.33Å; T344-Y360 HydrophobicContact CG2-CD1 4.11Å; T344-Y360 HydrophobicContact CG2-CD2 3.78Å; T344-Y360 HydrophobicContact CG2-CE1 4.1Å; T344-Y360 HydrophobicContact CG2-CE2 3.73Å; T344-Y360 HydrophobicContact CG2-CG 3.97Å; N355-Y360 PolarHBondContact O-N 3.41Å; E358-Y360 HydrophobicContact CB-CD2 4.33Å; E358-Y360 VanDerWaalsContact CD-CE2 3.43Å; E358-Y360 HydrophobicContact CG-CD2 3.76Å; E358-Y360 HydrophobicContact CG-CE2 3.67Å; E358-Y360 WeakPolarHBondContact OE1-CE2 3.12Å; Y360-N376 WeakPolarHBondContact CE1-ND2 3.25Å
361	E	58.6	Low	61.1	Low	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-115.2	161.8	170.1	-81.2	165.9	-154.7	0	0	109.5	M352 N355 A356 G365 L367	M352-E361 PolarHBondContact N-OE2 2.8Å; N355-E361 HydrophobicContact CB-CG 4.31Å; N355-E361 WeakPolarHBondContact CB-OE1 3Å; N355-E361 VanDerWaalsContact ND2-CD 3.34Å; N355-E361 WeakPolarHBondContact ND2-CG 3.27Å; N355-E361 PolarHBondContact ND2-OE1 2.84Å; N355-E361 PolarHBondContact O-N 3.25Å; A356-E361 HydrophobicContact CB-CB 4.42Å; E361-G365 WeakPolarHBondContact OE2-CA 3.31Å; E361-L367 HydrophobicContact CG-CD2 3.61Å; E361-L367 HydrophobicContact CG-CG 4.08Å; E361-L367 WeakPolarHBondContact OE1-CD2 3.05Å
362	K	62.2	Low	61.7	Low	65 Å²	65	36.8 Å²	36.8	28%	0.283	19%	0.194	S	C	.	.			trans	-58.5	160.4	162.3	-65.5	-172.8	-156.4	158.4	0	110	D364 G365 E366 D368 V371	K362-D364 WeakPolarHBondContact CB-OD1 3.38Å; K362-D364 PolarHBondContact O-N 3.49Å; K362-G365 WeakPolarHBondContact O-CA 3.44Å; K362-G365 PolarHBondContact O-N 2.99Å; K362-E366 HydrophobicContact CB-CB 4.26Å; K362-E366 WeakPolarHBondContact CB-O 3.3Å; K362-E366 HydrophobicContact CD-CB 4.09Å; K362-E366 HydrophobicContact CG-CB 4.43Å; K362-E366 PolarHBondContact N-O 2.9Å; K362-E366 IonicContact NZ-OE2 2.88Å; K362-E366 PolarHBondContact NZ-OE2 2.93Å; K362-D368 HydrophobicContact CG-CB 4.38Å; K362-V371 HydrophobicContact CG-CG1 4.35Å; K362-V371 HydrophobicContact CG-CG2 4.35Å
363	P	56.2	Low	62.4	Low	13 Å²	13	37.6 Å²	37.6	8%	0.084	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.1	-173.9	-22.5	37.1	0	0	0	114.1	D327 S330 C331 G365 N373	D327-P363 HydrophobicContact CB-CB 3.58Å; D327-P363 HydrophobicContact CB-CG 3.54Å; D327-P363 WeakPolarHBondContact O-CB 3.37Å; D327-P363 WeakPolarHBondContact OD1-CG 3.15Å; S330-P363 CarbonylContact C-O 3.31Å; S330-P363 WeakPolarHBondContact CB-O 3.18Å; C331-P363 VanDerWaalsContact CA-O 3.24Å; C331-P363 WeakPolarHBondContact CA-O 3.24Å; C331-P363 PolarHBondContact N-O 2.91Å; P363-G365 VanDerWaalsContact C-N 3.34Å; P363-N373 WeakPolarHBondContact CD-ND2 3.46Å; P363-N373 HydrophobicContact CG-CB 4.48Å; P363-N373 VanDerWaalsContact CG-CG 3.48Å; P363-N373 WeakPolarHBondContact CG-ND2 3.33Å
364	D	58.1	Low	63.4	Low	47 Å²	47	37.6 Å²	37.6	25%	0.251	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.2	174.4	61	-2.4	0	0	0	113.8	R351 K362 E366	R351-D364 WeakPolarHBondContact CD-O 3.35Å; R351-D364 WeakPolarHBondContact CG-O 3.34Å; R351-D364 PolarHBondContact NH1-O 3.35Å; K362-D364 WeakPolarHBondContact CB-OD1 3.38Å; K362-D364 PolarHBondContact O-N 3.49Å; D364-E366 PolarHBondContact OD1-N 3.32Å; D364-E366 VanDerWaalsContact OD1-N 3.16Å
365	G	54.1	Low	64.1	Low	7 Å²	7	37.6 Å²	37.6	7%	0.072	20%	0.199	C	C	.	.	S	Bend	trans	86.6	11.5	-179.6	0	0	0	0	0	114.6	E361 K362 P363	E361-G365 WeakPolarHBondContact OE2-CA 3.31Å; K362-G365 WeakPolarHBondContact O-CA 3.44Å; K362-G365 PolarHBondContact O-N 2.99Å; P363-G365 VanDerWaalsContact C-N 3.34Å
366	E	59.6	Low	64.7	Low	97 Å²	97	38.6 Å²	38.6	45%	0.453	20%	0.204	S	C	.	.			trans	-75.4	128	170.8	-71.5	-168.9	165.7	0	0	111.2	K362 D364 D368	K362-E366 HydrophobicContact CB-CB 4.26Å; K362-E366 WeakPolarHBondContact CB-O 3.3Å; K362-E366 HydrophobicContact CD-CB 4.09Å; K362-E366 HydrophobicContact CG-CB 4.43Å; K362-E366 PolarHBondContact N-O 2.9Å; K362-E366 IonicContact NZ-OE2 2.88Å; K362-E366 PolarHBondContact NZ-OE2 2.93Å; D364-E366 PolarHBondContact OD1-N 3.32Å; D364-E366 VanDerWaalsContact OD1-N 3.16Å; E366-D368 PolarHBondContact O-N 2.86Å
367	L	54.5	Low	65.5	Low	45 Å²	45	39.6 Å²	39.6	24%	0.236	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-67.1	128	174.3	-71.9	164	0	0	0	111.2	F348 E361	F348-L367 HydrophobicContact CD1-CD1 4.06Å; F348-L367 HydrophobicContact CD2-CD1 4.49Å; F348-L367 HydrophobicContact CE1-CD1 4.33Å; F348-L367 HydrophobicContact CG-CD1 4.14Å; E361-L367 HydrophobicContact CG-CD2 3.61Å; E361-L367 HydrophobicContact CG-CG 4.08Å; E361-L367 WeakPolarHBondContact OE1-CD2 3.05Å
368	D	58.4	Low	66.2	Low	50 Å²	50	39.5 Å²	39.5	27%	0.267	21%	0.209	S	C	.	.			trans	-148.5	106.3	169.4	-173.1	-23.2	0	0	0	108.4	K362 E366 T370 V371	K362-D368 HydrophobicContact CG-CB 4.38Å; E366-D368 PolarHBondContact O-N 2.86Å; D368-T370 PolarHBondContact O-N 2.93Å; D368-T370 WeakPolarHBondContact OD1-CB 3.45Å; D368-T370 PolarHBondContact OD1-N 2.99Å; D368-T370 PolarHBondContact OD1-OG1 3.28Å; D368-V371 HydrophobicContact CB-CB 4.07Å; D368-V371 HydrophobicContact CB-CG2 3.62Å; D368-V371 VanDerWaalsContact CG-CG2 3.41Å; D368-V371 PolarHBondContact O-N 2.95Å; D368-V371 WeakPolarHBondContact OD2-CG2 3.35Å
369	D	55.8	Low	66.6	Low	156 Å²	156	40.5 Å²	40.5	83%	0.834	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-6.4	-177.4	-66.4	-29.4	0	0	0	113.4
370	T	54.2	Low	67.3	Low	123 Å²	123	41.2 Å²	41.2	76%	0.755	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	-4.3	177.8	71.2	0	0	0	0	114	D368	D368-T370 PolarHBondContact O-N 2.93Å; D368-T370 WeakPolarHBondContact OD1-CB 3.45Å; D368-T370 PolarHBondContact OD1-N 2.99Å; D368-T370 PolarHBondContact OD1-OG1 3.28Å
371	V	61.9	Low	68.3	Low	35 Å²	35	40.6 Å²	40.6	21%	0.212	22%	0.219	C	C	.	.			trans	-102.4	119.4	-173.9	175	0	0	0	0	111	K362 D368 N373	K362-V371 HydrophobicContact CG-CG1 4.35Å; K362-V371 HydrophobicContact CG-CG2 4.35Å; D368-V371 HydrophobicContact CB-CB 4.07Å; D368-V371 HydrophobicContact CB-CG2 3.62Å; D368-V371 VanDerWaalsContact CG-CG2 3.41Å; D368-V371 PolarHBondContact O-N 2.95Å; D368-V371 WeakPolarHBondContact OD2-CG2 3.35Å; V371-N373 HydrophobicContact CG1-CB 4.15Å
372	D	61.3	Low	69.6	Low	72 Å²	72	41.1 Å²	41.1	39%	0.385	22%	0.222	S	C	.	.			trans	-92	126.9	156.3	-66.8	-46.4	0	0	0	107.8	N376	D372-N376 HydrophobicContact CB-CB 4.26Å
373	N	71.9	Confident	70.6	Confident	20 Å²	20	38.9 Å²	38.9	11%	0.107	21%	0.213	C	C	.	.			trans	-129.9	174.9	174.7	-139.8	-50.4	0	0	0	113.1	G359 P363 V371 H375 N376 L377	G359-N373 WeakPolarHBondContact CA-O 3.06Å; G359-N373 PolarHBondContact O-N 3.4Å; G359-N373 VanDerWaalsContact O-N 3.07Å; P363-N373 WeakPolarHBondContact CD-ND2 3.46Å; P363-N373 HydrophobicContact CG-CB 4.48Å; P363-N373 VanDerWaalsContact CG-CG 3.48Å; P363-N373 WeakPolarHBondContact CG-ND2 3.33Å; V371-N373 HydrophobicContact CG1-CB 4.15Å; N373-H375 PolarHBondContact O-N 3.25Å; N373-N376 PolarHBondContact O-N 2.94Å; N373-L377 PolarHBondContact O-N 2.99Å
374	L	82.1	Confident	72.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	38.7	-110.7	174.4	-68.5	173.8	0	0	0	112.4	F250 P323 D327 V328 C331 A356 L357 L377 V378	F250-L374 HydrophobicContact CE2-CD2 4.13Å; P323-L374 HydrophobicContact CB-CD2 3.85Å; P323-L374 HydrophobicContact CG-CD2 4.26Å; D327-L374 HydrophobicContact CB-CD2 4.25Å; V328-L374 HydrophobicContact CG2-CD2 3.95Å; C331-L374 HydrophobicContact CB-CD1 3.83Å; A356-L374 WeakPolarHBondContact O-CD1 3.35Å; L357-L374 HydrophobicContact CD1-CD1 4.43Å; L357-L374 WeakPolarHBondContact O-CB 3.35Å; L374-L377 PolarHBondContact O-N 3.04Å; L374-V378 WeakPolarHBondContact O-CG2 3.4Å; L374-V378 PolarHBondContact O-N 3.4Å
375	H	85.3	Confident	73.7	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.019	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-54.5	-179.4	161.8	-87.3	0	0	0	113.2	F218 L357 E358 N373 L377 V378 H379 H402	F218-H375 AromaticContact CE2-CE1 3.76Å; F218-H375 AromaticContact CE2-NE2 3.72Å; F218-H375 HydrophobicContact CZ-CB 4.37Å; F218-H375 AromaticContact CZ-CD2 3.77Å; F218-H375 AromaticContact CZ-CG 3.81Å; F218-H375 AromaticContact CZ-ND1 3.98Å; F218-H375 AromaticContact CZ-NE2 3.9Å; L357-H375 WeakPolarHBondContact O-CB 3.47Å; L357-H375 PolarHBondContact O-N 3.4Å; E358-H375 WeakPolarHBondContact O-CB 3.28Å; E358-H375 PolarHBondContact O-ND1 3.2Å; N373-H375 PolarHBondContact O-N 3.25Å; H375-L377 VanDerWaalsContact C-N 3.27Å; H375-L377 PolarHBondContact O-N 3.17Å; H375-V378 PolarHBondContact O-N 3.11Å; H375-H379 AromaticContact CD2-CD2 3.74Å; H375-H379 AromaticContact CD2-NE2 3.73Å; H375-H379 AromaticContact CE1-CD2 3.59Å; H375-H379 AromaticContact CE1-NE2 3.89Å; H375-H379 AromaticContact NE2-CD2 3.4Å; H375-H379 PolarHBondContact NE2-CD2 3.19Å; H375-H379 AromaticContact NE2-NE2 3.27Å; H375-H379 PolarHBondContact NE2-NE2 2.03Å; H375-H379 PolarHBondContact O-CD2 2.89Å; H375-H379 PolarHBondContact O-N 2.91Å; H375-H402 AromaticContact CD2-CE1 3.5Å; H375-H402 PolarHBondContact CD2-CE1 3.01Å; H375-H402 VanDerWaalsContact CD2-CE1 3.5Å; H375-H402 AromaticContact CD2-NE2 3.93Å; H375-H402 AromaticContact NE2-CE1 3.05Å; H375-H402 PolarHBondContact NE2-CE1 3.35Å; H375-H402 AromaticContact NE2-NE2 3.4Å; H375-H402 PolarHBondContact NE2-NE2 2.9Å
376	N	82.9	Confident	75.3	Confident	21 Å²	21	36.2 Å²	36.2	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-36.6	-178.4	-73.1	-14.8	0	0	0	112.3	E358 G359 Y360 D372 N373 V378 H379 A380	E358-N376 PolarHBondContact O-N 3.2Å; E358-N376 VanDerWaalsContact O-N 3.1Å; E358-N376 PolarHBondContact O-ND2 3.09Å; E358-N376 PolarHBondContact O-OD1 3.29Å; E358-N376 VanDerWaalsContact O-OD1 3.07Å; G359-N376 PolarHBondContact O-ND2 2.85Å; Y360-N376 WeakPolarHBondContact CE1-ND2 3.25Å; D372-N376 HydrophobicContact CB-CB 4.26Å; N373-N376 PolarHBondContact O-N 2.94Å; N376-V378 VanDerWaalsContact C-N 3.35Å; N376-V378 PolarHBondContact O-N 3.05Å; N376-H379 PolarHBondContact O-N 3.29Å; N376-A380 WeakPolarHBondContact O-CB 3.41Å; N376-A380 PolarHBondContact O-N 3.33Å
377	L	81.1	Confident	76.5	Confident	21 Å²	21	33.9 Å²	33.9	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-41.4	178.8	-179.6	56	0	0	0	112.2	M320 S321 P323 N373 L374 H375 A380 M381	M320-L377 HydrophobicContact CE-CD1 3.33Å; S321-L377 WeakPolarHBondContact O-CD2 3.39Å; P323-L377 HydrophobicContact CG-CD2 4.05Å; N373-L377 PolarHBondContact O-N 2.99Å; L374-L377 PolarHBondContact O-N 3.04Å; H375-L377 VanDerWaalsContact C-N 3.27Å; H375-L377 PolarHBondContact O-N 3.17Å; L377-A380 PolarHBondContact O-N 3.47Å; L377-M381 WeakPolarHBondContact O-CB 3.37Å; L377-M381 PolarHBondContact O-N 2.8Å
378	V	81.4	Confident	78.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-44.7	178.5	-179.8	0	0	0	0	110.6	W248 F250 L322 P323 L374 H375 N376 A380 M381 L382 L401	W248-V378 HydrophobicContact CE3-CG1 4.46Å; W248-V378 HydrophobicContact CH2-CG1 3.81Å; W248-V378 HydrophobicContact CZ3-CG1 3.46Å; W248-V378 VanDerWaalsContact CZ3-CG1 3.46Å; F250-V378 HydrophobicContact CB-CG2 3.8Å; F250-V378 HydrophobicContact CD1-CG2 3.96Å; F250-V378 HydrophobicContact CD2-CG2 3.73Å; F250-V378 HydrophobicContact CE1-CG2 4.42Å; F250-V378 HydrophobicContact CE2-CG2 4.27Å; F250-V378 HydrophobicContact CG-CG2 3.57Å; L322-V378 HydrophobicContact CD2-CG2 3.97Å; P323-V378 HydrophobicContact CG-CG2 4.32Å; L374-V378 WeakPolarHBondContact O-CG2 3.4Å; L374-V378 PolarHBondContact O-N 3.4Å; H375-V378 PolarHBondContact O-N 3.11Å; N376-V378 VanDerWaalsContact C-N 3.35Å; N376-V378 PolarHBondContact O-N 3.05Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 3.36Å; V378-M381 PolarHBondContact O-N 2.85Å; V378-L382 HydrophobicContact CG1-CD1 4.33Å; V378-L382 WeakPolarHBondContact O-CG 3.2Å; V378-L382 PolarHBondContact O-N 2.74Å; V378-L401 HydrophobicContact CB-CD1 3.85Å; V378-L401 HydrophobicContact CB-CG 4.4Å; V378-L401 HydrophobicContact CG1-CD1 3.39Å; V378-L401 HydrophobicContact CG1-CG 4.02Å
379	H	87.4	Confident	79.5	Confident	20 Å²	20	35.8 Å²	35.8	9%	0.093	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-44.2	174.1	-81.2	-73.4	0	0	0	112.1	H375 N376 N383 S386 S387 F398 H402	H375-H379 AromaticContact CD2-CD2 3.74Å; H375-H379 AromaticContact CD2-NE2 3.73Å; H375-H379 AromaticContact CE1-CD2 3.59Å; H375-H379 AromaticContact CE1-NE2 3.89Å; H375-H379 AromaticContact NE2-CD2 3.4Å; H375-H379 PolarHBondContact NE2-CD2 3.19Å; H375-H379 AromaticContact NE2-NE2 3.27Å; H375-H379 PolarHBondContact NE2-NE2 2.03Å; H375-H379 PolarHBondContact O-CD2 2.89Å; H375-H379 PolarHBondContact O-N 2.91Å; N376-H379 PolarHBondContact O-N 3.29Å; H379-N383 PolarHBondContact O-N 2.89Å; H379-S386 PolarHBondContact ND1-O 3.22Å; H379-S387 WeakPolarHBondContact O-CA 3.5Å; H379-S387 WeakPolarHBondContact O-CB 3.29Å; H379-F398 AromaticContact CE1-CD2 3.87Å; H379-H402 AromaticContact NE2-NE2 3.56Å
380	A	83.4	Confident	81.1	Confident	16 Å²	16	29.7 Å²	29.7	13%	0.132	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-36.4	177.5	0	0	0	0	0	112.7	M320 N376 L377 V378	M320-A380 HydrophobicContact CE-CB 3.84Å; N376-A380 WeakPolarHBondContact O-CB 3.41Å; N376-A380 PolarHBondContact O-N 3.33Å; L377-A380 PolarHBondContact O-N 3.47Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 3.36Å
381	M	84.2	Confident	83	Confident	40 Å²	40	23.8 Å²	23.8	20%	0.197	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-43.1	178.8	-178.1	-171.9	169.3	0	0	112.2	S255 M320 L322 L377 V378 N383	S255-M381 VanDerWaalsContact C-CE 3.46Å; S255-M381 WeakPolarHBondContact O-CE 3.41Å; M320-M381 HydrophobicContact CE-CB 4.34Å; L322-M381 HydrophobicContact CD1-SD 4.37Å; L322-M381 HydrophobicContact CD2-CE 4.42Å; L322-M381 HydrophobicContact CD2-SD 3.3Å; L322-M381 WeakPolarHBondContact CD2-SD 3.18Å; L322-M381 HydrophobicContact CG-CE 4.1Å; L322-M381 HydrophobicContact CG-SD 3.46Å; L322-M381 WeakPolarHBondContact CG-SD 3.37Å; L377-M381 WeakPolarHBondContact O-CB 3.37Å; L377-M381 PolarHBondContact O-N 2.8Å; V378-M381 PolarHBondContact O-N 2.85Å; M381-N383 PolarHBondContact O-N 3.36Å
382	L	84.6	Confident	84.6	Confident	12 Å²	12	22.3 Å²	22.3	6%	0.063	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-40.4	179.4	-72.1	171.8	0	0	0	111.3	G313 V378 I397	G313-L382 PolarHBondContact N-O 2.79Å; V378-L382 HydrophobicContact CG1-CD1 4.33Å; V378-L382 WeakPolarHBondContact O-CG 3.2Å; V378-L382 PolarHBondContact O-N 2.74Å; L382-I397 HydrophobicContact CD1-CB 4.16Å; L382-I397 HydrophobicContact CD1-CD1 4.38Å; L382-I397 HydrophobicContact CD1-CG2 3.59Å; L382-I397 HydrophobicContact CD2-CD1 3.67Å; L382-I397 HydrophobicContact CD2-CG2 4.38Å
383	N	83.6	Confident	86.3	Confident	17 Å²	17	18.9 Å²	18.9	9%	0.091	11%	0.11	C	C	.	.			trans	57.8	128.4	168.5	-167.9	-1	0	0	0	115.6	R312 G313 V315 H379 M381	R312-N383 CarbonylContact C-O 3.08Å; R312-N383 VanDerWaalsContact C-O 3.23Å; R312-N383 WeakPolarHBondContact CA-O 2.97Å; G313-N383 PolarHBondContact N-O 2.51Å; V315-N383 VanDerWaalsContact C-ND2 3.34Å; V315-N383 WeakPolarHBondContact CA-ND2 3.33Å; V315-N383 WeakPolarHBondContact CB-ND2 3.2Å; V315-N383 PolarHBondContact N-ND2 3.32Å; V315-N383 PolarHBondContact O-ND2 2.93Å; H379-N383 PolarHBondContact O-N 2.89Å; M381-N383 PolarHBondContact O-N 3.36Å
384	G	87.9	Confident	87.5	Confident	5 Å²	5	17.9 Å²	17.9	5%	0.052	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	106.3	-131.2	-170.6	0	0	0	0	0	110	S386 S387	G384-S386 VanDerWaalsContact C-N 3.29Å; G384-S386 PolarHBondContact O-N 2.95Å; G384-S387 PolarHBondContact N-OG 3.27Å; G384-S387 PolarHBondContact O-N 3.46Å; G384-S387 PolarHBondContact O-OG 3.13Å
385	T	91.8	Very high	88.3	Confident	5 Å²	5	17.9 Å²	17.9	3%	0.031	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-55	-44.9	-175.6	-54.7	0	0	0	0	111.8	V287 Q311 S387 L388 S391 A392 N394	V287-T385 HydrophobicContact CG1-CG2 4.08Å; Q311-T385 PolarHBondContact N-OG1 3.31Å; Q311-T385 PolarHBondContact O-N 3.25Å; T385-S387 VanDerWaalsContact C-N 3.26Å; T385-S387 PolarHBondContact O-N 2.81Å; T385-L388 PolarHBondContact O-N 3.2Å; T385-S391 WeakPolarHBondContact CG2-O 3.32Å; T385-S391 CarbonylContact O-C 3.49Å; T385-S391 PolarHBondContact O-OG 2.97Å; T385-A392 WeakPolarHBondContact O-CA 3.48Å; T385-A392 PolarHBondContact O-N 3.22Å; T385-N394 HydrophobicContact CG2-CB 3.77Å
386	S	88.5	Confident	88.8	Confident	2 Å²	2	17.7 Å²	17.7	1%	0.014	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-67.9	-18.8	179.9	-58.1	0	0	0	0	114.7	H379 G384 A392 D395	H379-S386 PolarHBondContact ND1-O 3.22Å; G384-S386 VanDerWaalsContact C-N 3.29Å; G384-S386 PolarHBondContact O-N 2.95Å; S386-A392 WeakPolarHBondContact O-CB 3.45Å; S386-D395 WeakPolarHBondContact OG-CB 3.42Å; S386-D395 VanDerWaalsContact OG-CG 3.27Å; S386-D395 PolarHBondContact OG-OD2 3.41Å
387	S	85.2	Confident	89.5	Confident	47 Å²	47	16.7 Å²	16.7	33%	0.329	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-88.9	-10.1	-176.6	63.3	0	0	0	0	114.2	H379 G384 T385	H379-S387 WeakPolarHBondContact O-CA 3.5Å; H379-S387 WeakPolarHBondContact O-CB 3.29Å; G384-S387 PolarHBondContact N-OG 3.27Å; G384-S387 PolarHBondContact O-N 3.46Å; G384-S387 PolarHBondContact O-OG 3.13Å; T385-S387 VanDerWaalsContact C-N 3.26Å; T385-S387 PolarHBondContact O-N 2.81Å
388	L	87.4	Confident	90.3	Very high	74 Å²	74	15.9 Å²	15.9	39%	0.387	9%	0.094	S	C	.	.	S	Bend	trans	-101.5	119.6	179.7	-61.6	175.4	0	0	0	108.9	T385 H390 S391 A392	T385-L388 PolarHBondContact O-N 3.2Å; L388-H390 PolarHBondContact O-N 3.14Å; L388-H390 VanDerWaalsContact O-N 3.08Å; L388-S391 WeakPolarHBondContact CB-OG 3.15Å; L388-S391 PolarHBondContact O-N 3.23Å; L388-A392 WeakPolarHBondContact O-CB 3.49Å; L388-A392 PolarHBondContact O-N 2.81Å
389	S	87.6	Confident	91.1	Very high	61 Å²	61	15.9 Å²	15.9	43%	0.427	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.7	-176.9	-51.4	0	0	0	0	112.6	H191 S391	H191-S389 PolarHBondContact CE1-O 3.44Å; H191-S389 PolarHBondContact ND1-O 3.28Å; S389-S391 VanDerWaalsContact C-N 3.34Å; S389-S391 PolarHBondContact O-N 2.94Å
390	H	89.4	Confident	91.6	Very high	28 Å²	28	14.9 Å²	14.9	13%	0.13	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.7	-177.5	65.7	-96.4	0	0	0	115	Y192 V195 C289 L388	Y192-H390 HydrophobicContact CD2-CB 4.19Å; V195-H390 HydrophobicContact CG2-CB 4.05Å; C289-H390 PolarHBondContact O-CD2 3.04Å; C289-H390 VanDerWaalsContact O-CD2 3.29Å; L388-H390 PolarHBondContact O-N 3.14Å; L388-H390 VanDerWaalsContact O-N 3.08Å
391	S	94.2	Very high	92.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-3	-177.1	60.7	0	0	0	0	114.2	N290 T385 L388 S389 A393 N394	N290-S391 WeakPolarHBondContact OD1-CB 3.38Å; N290-S391 PolarHBondContact OD1-OG 2.81Å; N290-S391 VanDerWaalsContact OD1-OG 3.12Å; T385-S391 WeakPolarHBondContact CG2-O 3.32Å; T385-S391 CarbonylContact O-C 3.49Å; T385-S391 PolarHBondContact O-OG 2.97Å; L388-S391 WeakPolarHBondContact CB-OG 3.15Å; L388-S391 PolarHBondContact O-N 3.23Å; S389-S391 VanDerWaalsContact C-N 3.34Å; S389-S391 PolarHBondContact O-N 2.94Å; S391-A393 VanDerWaalsContact C-N 3.29Å; S391-A393 PolarHBondContact O-N 2.62Å; S391-N394 VanDerWaalsContact O-CB 3.27Å; S391-N394 WeakPolarHBondContact O-CB 3.31Å; S391-N394 PolarHBondContact O-N 3.37Å; S391-N394 PolarHBondContact O-ND2 3.26Å
392	A	95.3	Very high	92.9	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.025	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-56	-39	-174.2	0	0	0	0	0	114.2	T385 S386 L388 N394 D395 F398	T385-A392 WeakPolarHBondContact O-CA 3.48Å; T385-A392 PolarHBondContact O-N 3.22Å; S386-A392 WeakPolarHBondContact O-CB 3.45Å; L388-A392 WeakPolarHBondContact O-CB 3.49Å; L388-A392 PolarHBondContact O-N 2.81Å; A392-N394 PolarHBondContact O-N 2.69Å; A392-N394 VanDerWaalsContact O-N 3.11Å; A392-D395 PolarHBondContact O-N 3.3Å; A392-D395 VanDerWaalsContact O-N 3.17Å; A392-F398 HydrophobicContact CB-CD2 4.07Å; A392-F398 HydrophobicContact CB-CE2 4.33Å
393	A	97.1	Very high	93.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-63.7	-15.5	179.8	0	0	0	0	0	114.3	Y184 F187 V188 H191 S391 D395 F398	Y184-A393 WeakPolarHBondContact CE1-O 3.36Å; Y184-A393 PolarHBondContact OH-O 3.12Å; F187-A393 HydrophobicContact CD1-CB 4.32Å; F187-A393 HydrophobicContact CE1-CB 3.97Å; V188-A393 HydrophobicContact CB-CB 4.38Å; V188-A393 HydrophobicContact CG1-CB 4.37Å; V188-A393 HydrophobicContact CG2-CB 4.19Å; V188-A393 WeakPolarHBondContact CG2-O 3.26Å; H191-A393 HydrophobicContact CB-CB 4.11Å; S391-A393 VanDerWaalsContact C-N 3.29Å; S391-A393 PolarHBondContact O-N 2.62Å; A393-D395 PolarHBondContact O-N 3.41Å; A393-F398 HydrophobicContact CB-CD1 4.24Å; A393-F398 HydrophobicContact CB-CD2 4.13Å; A393-F398 HydrophobicContact CB-CE1 4.3Å; A393-F398 HydrophobicContact CB-CE2 4.19Å; A393-F398 HydrophobicContact CB-CG 4.17Å; A393-F398 HydrophobicContact CB-CZ 4.28Å
394	N	98.1	Very high	94.3	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-64.7	-29.3	174.8	-75.8	-79	0	0	0	112.7	V188 V287 V288 I310 T385 S391 A392	V188-N394 WeakPolarHBondContact CG1-ND2 3.41Å; V287-N394 VanDerWaalsContact CA-OD1 3.3Å; V287-N394 WeakPolarHBondContact CA-OD1 3.34Å; V287-N394 HydrophobicContact CB-CB 4.21Å; V287-N394 HydrophobicContact CG1-CB 4Å; V288-N394 PolarHBondContact N-OD1 2.92Å; V288-N394 PolarHBondContact O-ND2 3.2Å; I310-N394 WeakPolarHBondContact CD1-O 3.3Å; T385-N394 HydrophobicContact CG2-CB 3.77Å; S391-N394 VanDerWaalsContact O-CB 3.27Å; S391-N394 WeakPolarHBondContact O-CB 3.31Å; S391-N394 PolarHBondContact O-N 3.37Å; S391-N394 PolarHBondContact O-ND2 3.26Å; A392-N394 PolarHBondContact O-N 2.69Å; A392-N394 VanDerWaalsContact O-N 3.11Å
395	D	97.5	Very high	94.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-84.1	123.2	175.6	-169.9	-30.4	0	0	0	109.5	I310 R312 S386 A392 A393 I397 F398	I310-D395 HydrophobicContact CG2-CB 4.16Å; R312-D395 IonicContact CZ-OD1 3.67Å; R312-D395 IonicContact CZ-OD2 3.38Å; R312-D395 IonicContact NE-OD1 3.48Å; R312-D395 IonicContact NE-OD2 3.47Å; R312-D395 PolarHBondContact NE-OD2 3.38Å; R312-D395 IonicContact NH2-OD1 2.92Å; R312-D395 PolarHBondContact NH2-OD1 2.77Å; R312-D395 IonicContact NH2-OD2 2.76Å; R312-D395 PolarHBondContact NH2-OD2 3Å; S386-D395 WeakPolarHBondContact OG-CB 3.42Å; S386-D395 VanDerWaalsContact OG-CG 3.27Å; S386-D395 PolarHBondContact OG-OD2 3.41Å; A392-D395 PolarHBondContact O-N 3.3Å; A392-D395 VanDerWaalsContact O-N 3.17Å; A393-D395 PolarHBondContact O-N 3.41Å; D395-I397 PolarHBondContact O-N 3.23Å; D395-I397 WeakPolarHBondContact OD1-CB 3.47Å; D395-I397 WeakPolarHBondContact OD1-CG1 3.24Å; D395-I397 PolarHBondContact OD1-N 3.48Å; D395-F398 WeakPolarHBondContact O-CB 3.45Å; D395-F398 PolarHBondContact O-N 3.44Å
396	P	97.1	Very high	94.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.6	-179.7	27.9	-38.2	0	0	0	114.3	L147 Y184 L265 F282 W285 F398 L399	L147-P396 HydrophobicContact CD1-CB 4.13Å; Y184-P396 WeakPolarHBondContact OH-CA 3.26Å; L265-P396 HydrophobicContact CD2-CB 4.23Å; L265-P396 HydrophobicContact CD2-CG 4.31Å; F282-P396 HydrophobicContact CD1-CB 4.46Å; F282-P396 HydrophobicContact CD1-CG 3.7Å; F282-P396 HydrophobicContact CD2-CG 4.13Å; F282-P396 HydrophobicContact CE1-CB 4.11Å; F282-P396 HydrophobicContact CE1-CG 3.79Å; F282-P396 HydrophobicContact CE2-CG 4.21Å; F282-P396 HydrophobicContact CG-CG 3.87Å; F282-P396 HydrophobicContact CZ-CB 4.31Å; F282-P396 HydrophobicContact CZ-CG 4.05Å; W285-P396 HydrophobicContact CH2-CB 4.42Å; W285-P396 HydrophobicContact CZ3-CB 4.22Å; W285-P396 HydrophobicContact CZ3-CG 4.36Å; P396-F398 PolarHBondContact O-N 2.96Å; P396-L399 PolarHBondContact O-N 3.28Å
397	I	97.5	Very high	95.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.5	-29.7	169.9	-64.3	171.6	0	0	0	111.3	W248 V259 L265 R312 L382 D395 L399 V400 L401	W248-I397 HydrophobicContact CE3-CG2 3.84Å; W248-I397 HydrophobicContact CZ3-CG2 3.64Å; V259-I397 HydrophobicContact CG2-CD1 4.47Å; V259-I397 HydrophobicContact CG2-CG1 4.4Å; L265-I397 HydrophobicContact CB-CG1 3.91Å; L265-I397 HydrophobicContact CD1-CB 4.29Å; L265-I397 HydrophobicContact CD1-CG1 3.59Å; L265-I397 HydrophobicContact CG-CG1 4.39Å; R312-I397 VanDerWaalsContact CZ-CD1 3.46Å; L382-I397 HydrophobicContact CD1-CB 4.16Å; L382-I397 HydrophobicContact CD1-CD1 4.38Å; L382-I397 HydrophobicContact CD1-CG2 3.59Å; L382-I397 HydrophobicContact CD2-CD1 3.67Å; L382-I397 HydrophobicContact CD2-CG2 4.38Å; D395-I397 PolarHBondContact O-N 3.23Å; D395-I397 WeakPolarHBondContact OD1-CB 3.47Å; D395-I397 WeakPolarHBondContact OD1-CG1 3.24Å; D395-I397 PolarHBondContact OD1-N 3.48Å; I397-L399 PolarHBondContact O-N 2.76Å; I397-V400 HydrophobicContact CG2-CG2 4.42Å; I397-V400 VanDerWaalsContact O-CG2 3.28Å; I397-V400 WeakPolarHBondContact O-CG2 3.35Å; I397-V400 PolarHBondContact O-N 3.05Å; I397-L401 VanDerWaalsContact O-CB 3.26Å; I397-L401 WeakPolarHBondContact O-CB 3.31Å; I397-L401 PolarHBondContact O-N 3.26Å
398	F	97.9	Very high	95.7	Very high	3 Å²	3	8.4 Å²	8.4	1%	0.013	5%	0.049	C	C	.	.	H	α-helix	trans	-50	-43.4	175.1	-175.3	-83.5	0	0	0	112.3	F187 H191 H222 H225 H379 A392 A393 D395 P396 H402	F187-F398 AromaticContact CE1-CD1 3.75Å; F187-F398 HydrophobicContact CE1-CD1 3.75Å; F187-F398 AromaticContact CE1-CE1 3.97Å; F187-F398 HydrophobicContact CE1-CE1 3.97Å; F187-F398 AromaticContact CZ-CD1 3.61Å; F187-F398 HydrophobicContact CZ-CD1 3.61Å; F187-F398 AromaticContact CZ-CE1 3.57Å; F187-F398 HydrophobicContact CZ-CE1 3.57Å; H191-F398 AromaticContact CD2-CZ 3.6Å; H191-F398 AromaticContact NE2-CE2 3.68Å; H191-F398 AromaticContact NE2-CZ 3.64Å; H222-F398 AromaticContact CD2-CZ 3.78Å; H222-F398 AromaticContact NE2-CZ 3.94Å; H225-F398 AromaticContact CE1-CE1 3.78Å; H225-F398 AromaticContact ND1-CE1 3.65Å; H379-F398 AromaticContact CE1-CD2 3.87Å; A392-F398 HydrophobicContact CB-CD2 4.07Å; A392-F398 HydrophobicContact CB-CE2 4.33Å; A393-F398 HydrophobicContact CB-CD1 4.24Å; A393-F398 HydrophobicContact CB-CD2 4.13Å; A393-F398 HydrophobicContact CB-CE1 4.3Å; A393-F398 HydrophobicContact CB-CE2 4.19Å; A393-F398 HydrophobicContact CB-CG 4.17Å; A393-F398 HydrophobicContact CB-CZ 4.28Å; D395-F398 WeakPolarHBondContact O-CB 3.45Å; D395-F398 PolarHBondContact O-N 3.44Å; P396-F398 PolarHBondContact O-N 2.96Å; F398-H402 AromaticContact CD1-CD2 3.62Å; F398-H402 AromaticContact CD2-CD2 3.63Å; F398-H402 AromaticContact CD2-NE2 3.68Å; F398-H402 AromaticContact CE1-CD2 3.4Å; F398-H402 WeakPolarHBondContact CE1-CD2 3.43Å; F398-H402 AromaticContact CE1-NE2 3.87Å; F398-H402 AromaticContact CE2-CD2 3.42Å; F398-H402 VanDerWaalsContact CE2-CD2 3.42Å; F398-H402 WeakPolarHBondContact CE2-CD2 3.18Å; F398-H402 AromaticContact CE2-NE2 3.11Å; F398-H402 WeakPolarHBondContact CE2-NE2 3.42Å; F398-H402 AromaticContact CG-CD2 3.72Å; F398-H402 AromaticContact CZ-CD2 3.29Å; F398-H402 WeakPolarHBondContact CZ-CD2 3.33Å; F398-H402 AromaticContact CZ-NE2 3.22Å; F398-H402 WeakPolarHBondContact CZ-NE2 3.42Å; F398-H402 WeakPolarHBondContact O-CB 3.48Å; F398-H402 PolarHBondContact O-CD2 3.34Å; F398-H402 VanDerWaalsContact O-CD2 3.28Å; F398-H402 PolarHBondContact O-N 3.13Å
399	L	97.8	Very high	96	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.5	-50.5	-177.9	-68.8	176.8	0	0	0	112.3	L147 Y184 F187 L226 L229 I245 P396 I397 L401 S403	L147-L399 HydrophobicContact CD1-CD1 3.94Å; L147-L399 HydrophobicContact CD2-CD1 3.58Å; L147-L399 HydrophobicContact CG-CD1 4.43Å; Y184-L399 HydrophobicContact CE2-CD1 3.86Å; F187-L399 HydrophobicContact CE1-CD2 3.79Å; F187-L399 HydrophobicContact CE2-CD2 3.87Å; F187-L399 HydrophobicContact CZ-CD2 3.34Å; F187-L399 HydrophobicContact CZ-CG 4.45Å; L226-L399 HydrophobicContact CD2-CD2 3.99Å; L229-L399 HydrophobicContact CD2-CD1 4.04Å; L229-L399 HydrophobicContact CD2-CD2 3.46Å; L229-L399 VanDerWaalsContact CD2-CD2 3.46Å; L229-L399 HydrophobicContact CD2-CG 4.39Å; I245-L399 HydrophobicContact CD1-CD2 4.37Å; I245-L399 HydrophobicContact CG2-CB 4.05Å; P396-L399 PolarHBondContact O-N 3.28Å; I397-L399 PolarHBondContact O-N 2.76Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L399-S403 WeakPolarHBondContact O-CB 3.49Å; L399-S403 PolarHBondContact O-N 3.48Å
400	V	98.2	Very high	96.4	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-75	-29.6	-175.1	-60.2	0	0	0	0	111.6	I132 F143 P246 W248 L265 I397 F404	I132-V400 HydrophobicContact CD1-CG1 4.22Å; F143-V400 HydrophobicContact CE1-CG1 4.28Å; F143-V400 HydrophobicContact CZ-CG1 4.09Å; P246-V400 HydrophobicContact CG-CG1 4.1Å; W248-V400 HydrophobicContact CB-CB 3.69Å; W248-V400 HydrophobicContact CB-CG2 3.53Å; W248-V400 HydrophobicContact CE3-CG2 4.43Å; W248-V400 HydrophobicContact CG-CG2 4.43Å; W248-V400 PolarHBondContact N-O 3.28Å; L265-V400 HydrophobicContact CD1-CG1 4.44Å; L265-V400 HydrophobicContact CD1-CG2 3.65Å; I397-V400 HydrophobicContact CG2-CG2 4.42Å; I397-V400 VanDerWaalsContact O-CG2 3.28Å; I397-V400 WeakPolarHBondContact O-CG2 3.35Å; I397-V400 PolarHBondContact O-N 3.05Å; V400-F404 PolarHBondContact O-N 3.32Å
401	L	97.2	Very high	96.5	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.6	-58.1	171.3	-174.3	171.6	0	0	0	110.1	F250 V378 I397 L399 S403 F404 T405	F250-L401 HydrophobicContact CD1-CG 4.24Å; F250-L401 HydrophobicContact CE1-CD2 4.29Å; F250-L401 HydrophobicContact CE1-CG 4.26Å; V378-L401 HydrophobicContact CB-CD1 3.85Å; V378-L401 HydrophobicContact CB-CG 4.4Å; V378-L401 HydrophobicContact CG1-CD1 3.39Å; V378-L401 HydrophobicContact CG1-CG 4.02Å; I397-L401 VanDerWaalsContact O-CB 3.26Å; I397-L401 WeakPolarHBondContact O-CB 3.31Å; I397-L401 PolarHBondContact O-N 3.26Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L401-S403 VanDerWaalsContact C-N 3.26Å; L401-S403 PolarHBondContact O-N 3.23Å; L401-F404 PolarHBondContact O-N 3.06Å; L401-T405 PolarHBondContact O-N 2.97Å; L401-T405 PolarHBondContact O-OG1 3.16Å
402	H	98.1	Very high	96.3	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.009	1%	0.012	C	C	.	.	H	α-helix	trans	-66.9	-28.7	-178.7	-80.3	-82	0	0	0	112.6	H222 L226 H375 H379 F398 F404 T405 D406	H222-H402 AromaticContact CD2-CE1 3.11Å; H222-H402 PolarHBondContact CD2-CE1 3.31Å; H222-H402 AromaticContact CD2-CG 3.92Å; H222-H402 AromaticContact CD2-ND1 3.24Å; H222-H402 PolarHBondContact CD2-ND1 2.98Å; H222-H402 AromaticContact CD2-NE2 3.73Å; H222-H402 AromaticContact CE1-CE1 3.94Å; H222-H402 AromaticContact CG-CE1 3.63Å; H222-H402 AromaticContact CG-ND1 3.46Å; H222-H402 AromaticContact NE2-CE1 3.36Å; H222-H402 PolarHBondContact NE2-CE1 3.5Å; H222-H402 AromaticContact NE2-ND1 3.97Å; H222-H402 AromaticContact NE2-NE2 3.9Å; L226-H402 HydrophobicContact CD1-CB 4.09Å; L226-H402 HydrophobicContact CD2-CB 4.36Å; L226-H402 HydrophobicContact CG-CB 4.45Å; H375-H402 AromaticContact CD2-CE1 3.5Å; H375-H402 PolarHBondContact CD2-CE1 3.01Å; H375-H402 VanDerWaalsContact CD2-CE1 3.5Å; H375-H402 AromaticContact CD2-NE2 3.93Å; H375-H402 AromaticContact NE2-CE1 3.05Å; H375-H402 PolarHBondContact NE2-CE1 3.35Å; H375-H402 AromaticContact NE2-NE2 3.4Å; H375-H402 PolarHBondContact NE2-NE2 2.9Å; H379-H402 AromaticContact NE2-NE2 3.56Å; F398-H402 AromaticContact CD1-CD2 3.62Å; F398-H402 AromaticContact CD2-CD2 3.63Å; F398-H402 AromaticContact CD2-NE2 3.68Å; F398-H402 AromaticContact CE1-CD2 3.4Å; F398-H402 WeakPolarHBondContact CE1-CD2 3.43Å; F398-H402 AromaticContact CE1-NE2 3.87Å; F398-H402 AromaticContact CE2-CD2 3.42Å; F398-H402 VanDerWaalsContact CE2-CD2 3.42Å; F398-H402 WeakPolarHBondContact CE2-CD2 3.18Å; F398-H402 AromaticContact CE2-NE2 3.11Å; F398-H402 WeakPolarHBondContact CE2-NE2 3.42Å; F398-H402 AromaticContact CG-CD2 3.72Å; F398-H402 AromaticContact CZ-CD2 3.29Å; F398-H402 WeakPolarHBondContact CZ-CD2 3.33Å; F398-H402 AromaticContact CZ-NE2 3.22Å; F398-H402 WeakPolarHBondContact CZ-NE2 3.42Å; F398-H402 WeakPolarHBondContact O-CB 3.48Å; F398-H402 PolarHBondContact O-CD2 3.34Å; F398-H402 VanDerWaalsContact O-CD2 3.28Å; F398-H402 PolarHBondContact O-N 3.13Å; H402-F404 VanDerWaalsContact C-N 3.3Å; H402-F404 PolarHBondContact O-N 3Å; H402-T405 PolarHBondContact O-N 2.97Å; H402-D406 WeakPolarHBondContact O-CB 3.34Å; H402-D406 PolarHBondContact O-N 2.95Å
403	S	98.4	Very high	96.1	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-63.2	-36.6	172.4	-174.6	0	0	0	0	111.6	I245 P246 L399 L401 A407 Y461	I245-S403 PolarHBondContact O-OG 2.83Å; P246-S403 VanDerWaalsContact O-CB 3.31Å; P246-S403 WeakPolarHBondContact O-CB 3.17Å; P246-S403 PolarHBondContact O-OG 3.47Å; L399-S403 WeakPolarHBondContact O-CB 3.49Å; L399-S403 PolarHBondContact O-N 3.48Å; L401-S403 VanDerWaalsContact C-N 3.26Å; L401-S403 PolarHBondContact O-N 3.23Å; S403-A407 PolarHBondContact O-N 2.92Å; S403-A407 VanDerWaalsContact O-N 3.09Å; S403-Y461 WeakPolarHBondContact O-CE1 3.2Å; S403-Y461 VanDerWaalsContact O-CZ 3.24Å; S403-Y461 PolarHBondContact O-OH 3Å
404	F	97.9	Very high	95.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-74.8	-38.5	173.5	-171.7	-118.9	0	0	0	112.6	Y247 W248 N249 F250 A251 V328 V400 L401 H402 D406 A407 I408 I463	Y247-F404 HydrophobicContact CD2-CB 4.41Å; Y247-F404 AromaticContact CD2-CD2 3.57Å; Y247-F404 HydrophobicContact CD2-CD2 3.57Å; Y247-F404 HydrophobicContact CD2-CE2 4.31Å; Y247-F404 HydrophobicContact CD2-CG 4.36Å; Y247-F404 HydrophobicContact CE2-CD2 4.07Å; Y247-F404 HydrophobicContact CE2-CE2 4.38Å; Y247-F404 HydrophobicContact CG-CD2 4.33Å; W248-F404 WeakPolarHBondContact O-CB 3.21Å; W248-F404 VanDerWaalsContact O-CG 3.29Å; W248-F404 WeakPolarHBondContact O-CG 3.47Å; N249-F404 HydrophobicContact CB-CD2 4.41Å; N249-F404 HydrophobicContact CB-CE2 3.99Å; N249-F404 HydrophobicContact CB-CZ 4.12Å; N249-F404 WeakPolarHBondContact OD1-CE1 3.09Å; N249-F404 WeakPolarHBondContact OD1-CZ 3.35Å; F250-F404 HydrophobicContact CD1-CB 4.45Å; F250-F404 AromaticContact CD1-CD1 3.63Å; F250-F404 HydrophobicContact CD1-CD1 3.63Å; F250-F404 HydrophobicContact CD1-CE1 4.39Å; F250-F404 HydrophobicContact CD1-CG 4.48Å; F250-F404 HydrophobicContact CD2-CD1 4.21Å; F250-F404 HydrophobicContact CD2-CE1 4.19Å; F250-F404 HydrophobicContact CE1-CB 4.32Å; F250-F404 AromaticContact CE1-CD1 3.48Å; F250-F404 HydrophobicContact CE1-CD1 3.48Å; F250-F404 VanDerWaalsContact CE1-CD1 3.48Å; F250-F404 HydrophobicContact CE1-CE1 4.3Å; F250-F404 HydrophobicContact CE1-CG 4.38Å; F250-F404 HydrophobicContact CE2-CD1 4.03Å; F250-F404 HydrophobicContact CE2-CE1 4.03Å; F250-F404 HydrophobicContact CG-CD1 4.01Å; F250-F404 HydrophobicContact CG-CE1 4.35Å; F250-F404 AromaticContact CZ-CD1 3.67Å; F250-F404 HydrophobicContact CZ-CD1 3.67Å; F250-F404 HydrophobicContact CZ-CE1 4.1Å; A251-F404 HydrophobicContact CB-CE1 4.14Å; A251-F404 HydrophobicContact CB-CZ 4.41Å; V328-F404 HydrophobicContact CG2-CE1 4.41Å; V400-F404 PolarHBondContact O-N 3.32Å; L401-F404 PolarHBondContact O-N 3.06Å; H402-F404 VanDerWaalsContact C-N 3.3Å; H402-F404 PolarHBondContact O-N 3Å; F404-D406 VanDerWaalsContact C-N 3.27Å; F404-D406 PolarHBondContact O-N 3.07Å; F404-A407 HydrophobicContact CD2-CB 4.44Å; F404-A407 VanDerWaalsContact O-CB 3.31Å; F404-A407 WeakPolarHBondContact O-CB 3.3Å; F404-A407 PolarHBondContact O-N 3.31Å; F404-I408 HydrophobicContact CD1-CD1 4.11Å; F404-I408 HydrophobicContact CE1-CD1 3.86Å; F404-I408 HydrophobicContact CE1-CG1 4.42Å; F404-I408 HydrophobicContact CZ-CD1 4.34Å; F404-I408 HydrophobicContact CZ-CG1 4.47Å; F404-I408 WeakPolarHBondContact O-CG1 3.3Å; F404-I408 PolarHBondContact O-N 3.17Å; F404-I463 HydrophobicContact CD2-CD1 4.19Å; F404-I463 HydrophobicContact CE2-CD1 3.54Å
405	T	96	Very high	95.3	Very high	1 Å²	1	15 Å²	15	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-56.9	-42.8	171.7	-53.8	0	0	0	0	111.3	F218 I219 L357 L401 H402 A407 I408 F409	F218-T405 HydrophobicContact CE1-CG2 3.98Å; F218-T405 HydrophobicContact CZ-CG2 4.02Å; I219-T405 HydrophobicContact CD1-CG2 3.75Å; L357-T405 HydrophobicContact CD1-CG2 3.99Å; L357-T405 HydrophobicContact CD2-CG2 3.99Å; L357-T405 HydrophobicContact CG-CG2 3.86Å; L401-T405 PolarHBondContact O-N 2.97Å; L401-T405 PolarHBondContact O-OG1 3.16Å; H402-T405 PolarHBondContact O-N 2.97Å; T405-A407 VanDerWaalsContact C-N 3.35Å; T405-I408 PolarHBondContact O-N 3.23Å; T405-F409 PolarHBondContact O-N 3.09Å; T405-F409 VanDerWaalsContact O-N 3.13Å
406	D	97.1	Very high	94.7	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-67.5	-32.2	175	-176.3	48.8	0	0	0	112.8	R129 R223 L226 H402 F404 F409 D410 Y459 Y461	R129-D406 IonicContact NH1-OD2 3.89Å; R129-D406 PolarHBondContact NH1-OD2 3Å; R223-D406 IonicContact CZ-OD1 3.7Å; R223-D406 IonicContact NE-OD1 3.71Å; R223-D406 PolarHBondContact NE-OD1 3.44Å; R223-D406 IonicContact NE-OD2 3.38Å; R223-D406 IonicContact NH2-OD1 3.68Å; R223-D406 PolarHBondContact NH2-OD1 3.02Å; L226-D406 HydrophobicContact CD1-CB 4.3Å; H402-D406 WeakPolarHBondContact O-CB 3.34Å; H402-D406 PolarHBondContact O-N 2.95Å; F404-D406 VanDerWaalsContact C-N 3.27Å; F404-D406 PolarHBondContact O-N 3.07Å; D406-F409 PolarHBondContact O-N 2.96Å; D406-D410 WeakPolarHBondContact O-CB 3.29Å; D406-D410 PolarHBondContact O-N 3.44Å; D406-Y459 PolarHBondContact OD1-OH 3.37Å; D406-Y459 VanDerWaalsContact OD2-CE2 3.27Å; D406-Y459 WeakPolarHBondContact OD2-CE2 3Å; D406-Y459 PolarHBondContact OD2-OH 2.81Å; D406-Y461 WeakPolarHBondContact CB-OH 3.3Å; D406-Y461 PolarHBondContact OD2-OH 3.41Å
407	A	96.7	Very high	94.1	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-42.1	173.4	0	0	0	0	0	112.1	S403 F404 T405 F409 D410 E411 Y461	S403-A407 PolarHBondContact O-N 2.92Å; S403-A407 VanDerWaalsContact O-N 3.09Å; F404-A407 HydrophobicContact CD2-CB 4.44Å; F404-A407 VanDerWaalsContact O-CB 3.31Å; F404-A407 WeakPolarHBondContact O-CB 3.3Å; F404-A407 PolarHBondContact O-N 3.31Å; T405-A407 VanDerWaalsContact C-N 3.35Å; A407-F409 VanDerWaalsContact C-N 3.33Å; A407-D410 PolarHBondContact O-N 3.42Å; A407-E411 WeakPolarHBondContact O-CB 3.31Å; A407-E411 PolarHBondContact O-N 3.18Å; A407-Y461 HydrophobicContact CB-CD1 3.56Å; A407-Y461 HydrophobicContact CB-CD2 3.86Å; A407-Y461 HydrophobicContact CB-CE1 3.64Å; A407-Y461 HydrophobicContact CB-CE2 3.93Å; A407-Y461 HydrophobicContact CB-CG 3.67Å
408	I	94	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-42.7	175.8	-62	167.7	0	0	0	110.1	V328 L332 L357 F404 T405 E411 W412 L465	V328-I408 HydrophobicContact CG1-CD1 3.99Å; V328-I408 HydrophobicContact CG1-CG1 3.95Å; V328-I408 HydrophobicContact CG1-CG2 4.45Å; V328-I408 HydrophobicContact CG2-CD1 4.07Å; L332-I408 HydrophobicContact CD2-CG2 3.8Å; L332-I408 VanDerWaalsContact CD2-O 3.32Å; L332-I408 WeakPolarHBondContact CD2-O 3.49Å; L332-I408 HydrophobicContact CG-CG2 4.09Å; L357-I408 HydrophobicContact CD1-CB 4Å; L357-I408 HydrophobicContact CD1-CD1 3.83Å; L357-I408 HydrophobicContact CD1-CG2 3.81Å; L357-I408 HydrophobicContact CD2-CG2 4.42Å; F404-I408 HydrophobicContact CD1-CD1 4.11Å; F404-I408 HydrophobicContact CE1-CD1 3.86Å; F404-I408 HydrophobicContact CE1-CG1 4.42Å; F404-I408 HydrophobicContact CZ-CD1 4.34Å; F404-I408 HydrophobicContact CZ-CG1 4.47Å; F404-I408 WeakPolarHBondContact O-CG1 3.3Å; F404-I408 PolarHBondContact O-N 3.17Å; T405-I408 PolarHBondContact O-N 3.23Å; I408-E411 PolarHBondContact O-N 3.34Å; I408-W412 PolarHBondContact O-N 3.23Å; I408-L465 HydrophobicContact CG1-CD1 4.32Å
409	F	93.7	Very high	92.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-41.5	176.5	174	-127.6	0	0	0	112.9	I219 R223 F337 L357 T405 D406 A407 E411 W412 M413 Y451	I219-F409 HydrophobicContact CB-CD1 4.25Å; I219-F409 HydrophobicContact CB-CG 4.33Å; I219-F409 HydrophobicContact CD1-CB 3.83Å; I219-F409 HydrophobicContact CD1-CD1 4.47Å; I219-F409 HydrophobicContact CD1-CG 4.24Å; I219-F409 HydrophobicContact CG1-CB 3.45Å; I219-F409 VanDerWaalsContact CG1-CB 3.45Å; I219-F409 HydrophobicContact CG1-CD1 3.35Å; I219-F409 HydrophobicContact CG1-CD2 3.94Å; I219-F409 HydrophobicContact CG1-CE1 4.07Å; I219-F409 HydrophobicContact CG1-CG 3.3Å; I219-F409 HydrophobicContact CG2-CD1 3.89Å; I219-F409 HydrophobicContact CG2-CD2 4.07Å; I219-F409 HydrophobicContact CG2-CE1 3.7Å; I219-F409 HydrophobicContact CG2-CE2 3.89Å; I219-F409 HydrophobicContact CG2-CG 4.1Å; I219-F409 HydrophobicContact CG2-CZ 3.73Å; R223-F409 VanDerWaalsContact NH1-CE1 3.27Å; F337-F409 HydrophobicContact CD2-CE2 4.37Å; F337-F409 HydrophobicContact CE2-CD2 4.45Å; F337-F409 AromaticContact CE2-CE2 3.86Å; F337-F409 HydrophobicContact CE2-CE2 3.86Å; L357-F409 HydrophobicContact CD2-CB 4.29Å; T405-F409 PolarHBondContact O-N 3.09Å; T405-F409 VanDerWaalsContact O-N 3.13Å; D406-F409 PolarHBondContact O-N 2.96Å; A407-F409 VanDerWaalsContact C-N 3.33Å; F409-E411 VanDerWaalsContact C-N 3.31Å; F409-E411 PolarHBondContact O-N 3.07Å; F409-W412 AromaticContact CD2-CE3 3.94Å; F409-W412 HydrophobicContact CD2-CE3 3.94Å; F409-W412 AromaticContact CE2-CE3 3.75Å; F409-W412 HydrophobicContact CE2-CE3 3.75Å; F409-W412 AromaticContact CE2-CZ3 3.91Å; F409-W412 HydrophobicContact CE2-CZ3 3.91Å; F409-W412 WeakPolarHBondContact O-CB 3.41Å; F409-W412 PolarHBondContact O-N 3.1Å; F409-M413 HydrophobicContact CD2-CG 4.06Å; F409-M413 HydrophobicContact CE1-CG 4.14Å; F409-M413 HydrophobicContact CE2-CG 3.59Å; F409-M413 HydrophobicContact CE2-SD 3.7Å; F409-M413 HydrophobicContact CG-CG 4.5Å; F409-M413 HydrophobicContact CZ-CG 3.61Å; F409-M413 HydrophobicContact CZ-SD 3.64Å; F409-M413 VanDerWaalsContact O-CG 3.32Å; F409-M413 WeakPolarHBondContact O-CG 3.46Å; F409-M413 PolarHBondContact O-N 3Å; F409-Y451 HydrophobicContact CE2-CD2 4.33Å; F409-Y451 AromaticContact CE2-CE2 3.87Å; F409-Y451 HydrophobicContact CE2-CE2 3.87Å; F409-Y451 AromaticContact CZ-CD2 3.68Å; F409-Y451 HydrophobicContact CZ-CD2 3.68Å; F409-Y451 AromaticContact CZ-CE2 3.69Å; F409-Y451 HydrophobicContact CZ-CE2 3.69Å
410	D	94.6	Very high	91.7	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.064	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-38.8	177.6	-167.5	54.5	0	0	0	112.3	R223 D406 A407 M413 R414 S454 Y461	R223-D410 IonicContact NH2-OD1 2.95Å; D406-D410 WeakPolarHBondContact O-CB 3.29Å; D406-D410 PolarHBondContact O-N 3.44Å; A407-D410 PolarHBondContact O-N 3.42Å; D410-M413 WeakPolarHBondContact O-CB 3.37Å; D410-M413 PolarHBondContact O-N 3.31Å; D410-R414 PolarHBondContact O-N 3.31Å; D410-S454 VanDerWaalsContact CG-CB 3.43Å; D410-S454 WeakPolarHBondContact OD1-CB 3.3Å; D410-S454 PolarHBondContact OD1-N 2.86Å; D410-S454 PolarHBondContact OD1-OG 3.46Å; D410-S454 VanDerWaalsContact OD1-OG 3.11Å; D410-S454 WeakPolarHBondContact OD2-CB 3.46Å; D410-S454 PolarHBondContact OD2-OG 3.07Å; D410-Y461 HydrophobicContact CB-CD2 4.35Å; D410-Y461 HydrophobicContact CB-CE2 4.37Å
411	E	93	Very high	90.8	Very high	20 Å²	20	35 Å²	35	9%	0.093	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-46	172.6	-178.7	56.2	-141.7	0	0	111.4	L332 A407 I408 F409 M413 R414 R415 L465	L332-E411 HydrophobicContact CD1-CG 4.1Å; L332-E411 HydrophobicContact CD2-CB 4.07Å; L332-E411 HydrophobicContact CD2-CG 3.99Å; A407-E411 WeakPolarHBondContact O-CB 3.31Å; A407-E411 PolarHBondContact O-N 3.18Å; I408-E411 PolarHBondContact O-N 3.34Å; F409-E411 VanDerWaalsContact C-N 3.31Å; F409-E411 PolarHBondContact O-N 3.07Å; E411-M413 VanDerWaalsContact C-N 3.31Å; E411-M413 PolarHBondContact O-N 3.22Å; E411-R414 WeakPolarHBondContact O-CB 3.43Å; E411-R414 PolarHBondContact O-N 3.24Å; E411-R414 VanDerWaalsContact O-N 3.12Å; E411-R415 WeakPolarHBondContact O-CG 3.3Å; E411-R415 PolarHBondContact O-N 3.36Å; E411-R415 WeakPolarHBondContact OE1-CG 3.48Å; E411-R415 IonicContact OE1-CZ 3.39Å; E411-R415 IonicContact OE1-NE 2.68Å; E411-R415 PolarHBondContact OE1-NE 3.47Å; E411-R415 IonicContact OE1-NH2 2.58Å; E411-L465 HydrophobicContact CB-CD1 3.94Å; E411-L465 HydrophobicContact CG-CB 4.06Å; E411-L465 HydrophobicContact CG-CD1 4.16Å
412	W	90.3	Very high	90.1	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-43	174.5	179.1	91.8	0	0	0	112.1	L332 I334 R335 F337 N353 I408 F409 R414 R415 F416 P418 Y451	L332-W412 HydrophobicContact CD2-CB 4.02Å; I334-W412 PolarHBondContact O-NE1 2.88Å; R335-W412 WeakPolarHBondContact O-CZ2 3.13Å; F337-W412 HydrophobicContact CB-CH2 3.59Å; F337-W412 HydrophobicContact CB-CZ2 3.85Å; F337-W412 HydrophobicContact CB-CZ3 4.43Å; F337-W412 HydrophobicContact CD2-CE3 4.45Å; F337-W412 AromaticContact CD2-CH2 3.82Å; F337-W412 HydrophobicContact CD2-CH2 3.82Å; F337-W412 HydrophobicContact CD2-CZ2 4.35Å; F337-W412 AromaticContact CD2-CZ3 3.81Å; F337-W412 HydrophobicContact CD2-CZ3 3.81Å; F337-W412 HydrophobicContact CG-CH2 4.05Å; F337-W412 HydrophobicContact CG-CZ3 4.42Å; N353-W412 VanDerWaalsContact CG-CD1 3.46Å; N353-W412 VanDerWaalsContact ND2-CD1 3.35Å; I408-W412 PolarHBondContact O-N 3.23Å; F409-W412 AromaticContact CD2-CE3 3.94Å; F409-W412 HydrophobicContact CD2-CE3 3.94Å; F409-W412 AromaticContact CE2-CE3 3.75Å; F409-W412 HydrophobicContact CE2-CE3 3.75Å; F409-W412 AromaticContact CE2-CZ3 3.91Å; F409-W412 HydrophobicContact CE2-CZ3 3.91Å; F409-W412 WeakPolarHBondContact O-CB 3.41Å; F409-W412 PolarHBondContact O-N 3.1Å; W412-R414 VanDerWaalsContact C-N 3.33Å; W412-R414 PolarHBondContact O-N 2.99Å; W412-R415 PolarHBondContact O-N 3.29Å; W412-F416 AromaticContact CD1-CD2 3.37Å; W412-F416 AromaticContact CD1-CE2 3.42Å; W412-F416 VanDerWaalsContact CD1-CE2 3.42Å; W412-F416 HydrophobicContact CD2-CD2 4.15Å; W412-F416 AromaticContact CE2-CD2 3.74Å; W412-F416 AromaticContact CG-CD2 3.89Å; W412-F416 HydrophobicContact CG-CD2 3.89Å; W412-F416 HydrophobicContact CG-CE2 4.29Å; W412-F416 HydrophobicContact CZ2-CD2 4.46Å; W412-F416 AromaticContact NE1-CD2 3.25Å; W412-F416 VanDerWaalsContact NE1-CD2 3.25Å; W412-F416 AromaticContact NE1-CE2 3.49Å; W412-F416 WeakPolarHBondContact O-CD2 3.06Å; W412-F416 PolarHBondContact O-N 2.68Å; W412-P418 HydrophobicContact CH2-CB 3.69Å; W412-P418 HydrophobicContact CH2-CG 3.61Å; W412-P418 HydrophobicContact CZ3-CB 4.16Å; W412-P418 HydrophobicContact CZ3-CG 3.53Å; W412-Y451 VanDerWaalsContact CH2-OH 3.26Å; W412-Y451 WeakPolarHBondContact CH2-OH 3.45Å; W412-Y451 HydrophobicContact CZ3-CE2 4.41Å; W412-Y451 WeakPolarHBondContact CZ3-OH 3.19Å
413	M	90.3	Very high	89.6	Confident	13 Å²	13	37.4 Å²	37.4	6%	0.064	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-40.5	175.6	-72.4	-70.1	-74.3	0	0	112	F409 D410 E411 V417 P418 Y451	F409-M413 HydrophobicContact CD2-CG 4.06Å; F409-M413 HydrophobicContact CE1-CG 4.14Å; F409-M413 HydrophobicContact CE2-CG 3.59Å; F409-M413 HydrophobicContact CE2-SD 3.7Å; F409-M413 HydrophobicContact CG-CG 4.5Å; F409-M413 HydrophobicContact CZ-CG 3.61Å; F409-M413 HydrophobicContact CZ-SD 3.64Å; F409-M413 VanDerWaalsContact O-CG 3.32Å; F409-M413 WeakPolarHBondContact O-CG 3.46Å; F409-M413 PolarHBondContact O-N 3Å; D410-M413 WeakPolarHBondContact O-CB 3.37Å; D410-M413 PolarHBondContact O-N 3.31Å; E411-M413 VanDerWaalsContact C-N 3.31Å; E411-M413 PolarHBondContact O-N 3.22Å; M413-V417 VanDerWaalsContact O-CA 3.3Å; M413-V417 WeakPolarHBondContact O-CA 3.36Å; M413-V417 PolarHBondContact O-N 2.75Å; M413-P418 HydrophobicContact CE-CG 4.14Å; M413-P418 HydrophobicContact SD-CG 3.47Å; M413-P418 WeakPolarHBondContact SD-CG 3.31Å; M413-Y451 HydrophobicContact CE-CD1 4.49Å; M413-Y451 WeakPolarHBondContact CE-O 3.49Å; M413-Y451 HydrophobicContact SD-CE1 4.47Å; M413-Y451 HydrophobicContact SD-CE2 4.23Å
414	R	89.8	Confident	89.2	Confident	170 Å²	170	37.7 Å²	37.7	64%	0.642	20%	0.203	S	C	*	.	H	α-helix	trans	-67.6	-40.5	175.9	-94.2	-173.8	57.6	78.5	4.7	113	D410 E411 W412	D410-R414 PolarHBondContact O-N 3.31Å; E411-R414 WeakPolarHBondContact O-CB 3.43Å; E411-R414 PolarHBondContact O-N 3.24Å; E411-R414 VanDerWaalsContact O-N 3.12Å; W412-R414 VanDerWaalsContact C-N 3.33Å; W412-R414 PolarHBondContact O-N 2.99Å
415	R	87.9	Confident	88.9	Confident	88 Å²	88	40.2 Å²	40.2	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-68.6	-46.1	-178.4	-72.4	179.6	-176.2	-166.2	5.8	112.6	E411 W412 L465 D466	E411-R415 WeakPolarHBondContact O-CG 3.3Å; E411-R415 PolarHBondContact O-N 3.36Å; E411-R415 WeakPolarHBondContact OE1-CG 3.48Å; E411-R415 IonicContact OE1-CZ 3.39Å; E411-R415 IonicContact OE1-NE 2.68Å; E411-R415 PolarHBondContact OE1-NE 3.47Å; E411-R415 IonicContact OE1-NH2 2.58Å; W412-R415 PolarHBondContact O-N 3.29Å; R415-L465 VanDerWaalsContact NH2-C 3.32Å; R415-L465 PolarHBondContact NH2-O 2.91Å; R415-D466 IonicContact CZ-OD1 2.79Å; R415-D466 VanDerWaalsContact CZ-OD1 3.22Å; R415-D466 IonicContact NE-OD1 2.82Å; R415-D466 PolarHBondContact NE-OD1 3.27Å; R415-D466 IonicContact NH2-OD1 3.23Å; R415-D466 PolarHBondContact NH2-OD1 2.85Å
416	F	85.8	Confident	88.8	Confident	66 Å²	66	44.6 Å²	44.6	29%	0.289	24%	0.237	S	C	.	.	H	α-helix	trans	-101.9	-19.1	-169.9	-64.4	-67.9	0	0	0	114.3	L332 I334 R335 W412 P418	L332-F416 WeakPolarHBondContact O-CE2 3.36Å; I334-F416 WeakPolarHBondContact O-CE2 3.43Å; R335-F416 HydrophobicContact CB-CD1 4.22Å; R335-F416 HydrophobicContact CB-CE1 3.85Å; R335-F416 HydrophobicContact CB-CZ 4.23Å; R335-F416 HydrophobicContact CG-CD1 3.75Å; R335-F416 HydrophobicContact CG-CE1 3.86Å; R335-F416 HydrophobicContact CG-CG 4.44Å; W412-F416 AromaticContact CD1-CD2 3.37Å; W412-F416 AromaticContact CD1-CE2 3.42Å; W412-F416 VanDerWaalsContact CD1-CE2 3.42Å; W412-F416 HydrophobicContact CD2-CD2 4.15Å; W412-F416 AromaticContact CE2-CD2 3.74Å; W412-F416 AromaticContact CG-CD2 3.89Å; W412-F416 HydrophobicContact CG-CD2 3.89Å; W412-F416 HydrophobicContact CG-CE2 4.29Å; W412-F416 HydrophobicContact CZ2-CD2 4.46Å; W412-F416 AromaticContact NE1-CD2 3.25Å; W412-F416 VanDerWaalsContact NE1-CD2 3.25Å; W412-F416 AromaticContact NE1-CE2 3.49Å; W412-F416 WeakPolarHBondContact O-CD2 3.06Å; W412-F416 PolarHBondContact O-N 2.68Å; F416-P418 VanDerWaalsContact C-N 3.35Å
417	V	84.8	Confident	88.6	Confident	116 Å²	116	48.7 Å²	48.7	70%	0.703	26%	0.257	S	S	*	.			trans	43.2	59.5	-177.1	-166.9	0	0	0	0	110.7	M413	M413-V417 VanDerWaalsContact O-CA 3.3Å; M413-V417 WeakPolarHBondContact O-CA 3.36Å; M413-V417 PolarHBondContact O-N 2.75Å
418	P	81.1	Confident	88.3	Confident	23 Å²	23	48.6 Å²	48.6	15%	0.149	26%	0.256	C	S	.	.			trans	-65.2	143.7	-171.6	31.8	-40	0	0	0	110.9	W412 M413 F416 T422 Y451	W412-P418 HydrophobicContact CH2-CB 3.69Å; W412-P418 HydrophobicContact CH2-CG 3.61Å; W412-P418 HydrophobicContact CZ3-CB 4.16Å; W412-P418 HydrophobicContact CZ3-CG 3.53Å; M413-P418 HydrophobicContact CE-CG 4.14Å; M413-P418 HydrophobicContact SD-CG 3.47Å; M413-P418 WeakPolarHBondContact SD-CG 3.31Å; F416-P418 VanDerWaalsContact C-N 3.35Å; P418-T422 HydrophobicContact CB-CG2 4.04Å; P418-Y451 HydrophobicContact CB-CE1 4.38Å; P418-Y451 HydrophobicContact CG-CE1 4.03Å
419	S	82.3	Confident	88.3	Confident	74 Å²	74	48.9 Å²	48.9	52%	0.517	26%	0.258	S	S	.	.			trans	-73.1	151.7	166.8	68.7	0	0	0	0	110.3	A421 T422	S419-A421 PolarHBondContact O-N 2.86Å; S419-T422 PolarHBondContact O-N 3.01Å; S419-T422 PolarHBondContact O-OG1 3.08Å
420	N	79.6	Confident	88.3	Confident	63 Å²	63	49 Å²	49	34%	0.337	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-54.4	-15.7	174.3	-66.4	10.5	0	0	0	114.5	T422 Y423 R434 E448	N420-T422 VanDerWaalsContact C-N 3.27Å; N420-T422 PolarHBondContact O-N 3.22Å; N420-Y423 PolarHBondContact O-N 3.47Å; N420-R434 PolarHBondContact O-NH1 2.73Å; N420-E448 PolarHBondContact ND2-OE1 3.34Å
421	A	79.4	Confident	88.4	Confident	81 Å²	81	48.6 Å²	48.6	67%	0.669	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-72	-14.2	175.5	0	0	0	0	0	114.2	S419	S419-A421 PolarHBondContact O-N 2.86Å
422	T	82.7	Confident	88.5	Confident	51 Å²	51	47.7 Å²	47.7	31%	0.313	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-74	-20	173.1	56.8	0	0	0	0	112.4	P418 S419 N420 Y451	P418-T422 HydrophobicContact CB-CG2 4.04Å; S419-T422 PolarHBondContact O-N 3.01Å; S419-T422 PolarHBondContact O-OG1 3.08Å; N420-T422 VanDerWaalsContact C-N 3.27Å; N420-T422 PolarHBondContact O-N 3.22Å; T422-Y451 PolarHBondContact OG1-OH 2.78Å
423	Y	87.5	Confident	88.7	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.008	25%	0.253	C	S	.	.	S	Bend	trans	-90.1	130.4	175.1	-159.4	-66.4	0	0	0	109.2	P216 A217 T220 F337 N420 D425 H432 R434 N447 Y451	P216-Y423 HydrophobicContact CB-CD1 4.42Å; P216-Y423 HydrophobicContact CB-CE1 3.75Å; P216-Y423 HydrophobicContact CB-CE2 4Å; A217-Y423 WeakPolarHBondContact CA-OH 3.23Å; A217-Y423 WeakPolarHBondContact CB-OH 3.33Å; A217-Y423 PolarHBondContact N-OH 2.98Å; T220-Y423 HydrophobicContact CG2-CE2 4.21Å; F337-Y423 HydrophobicContact CD1-CD2 4.25Å; F337-Y423 AromaticContact CE1-CD2 3.5Å; F337-Y423 HydrophobicContact CE1-CD2 3.5Å; F337-Y423 VanDerWaalsContact CE1-CD2 3.5Å; F337-Y423 AromaticContact CE1-CE2 3.77Å; F337-Y423 HydrophobicContact CE1-CE2 3.77Å; F337-Y423 HydrophobicContact CE1-CG 4.26Å; F337-Y423 HydrophobicContact CZ-CD2 4.13Å; F337-Y423 HydrophobicContact CZ-CE2 4.14Å; N420-Y423 PolarHBondContact O-N 3.47Å; Y423-D425 PolarHBondContact O-N 3.28Å; Y423-H432 WeakPolarHBondContact CE1-O 3.31Å; Y423-H432 PolarHBondContact OH-O 3.4Å; Y423-R434 HydrophobicContact CD1-CB 3.6Å; Y423-R434 HydrophobicContact CD1-CG 4.04Å; Y423-R434 HydrophobicContact CE1-CB 4.1Å; Y423-R434 HydrophobicContact CG-CB 4.43Å; Y423-R434 HydrophobicContact CG-CG 4.42Å; Y423-N447 HydrophobicContact CE1-CB 4.14Å; Y423-N447 HydrophobicContact CE2-CB 4.18Å; Y423-N447 WeakPolarHBondContact OH-CB 3.46Å; Y423-N447 PolarHBondContact OH-ND2 3.3Å; Y423-N447 PolarHBondContact OH-OD1 3.1Å; Y423-Y451 HydrophobicContact CD2-CD1 4.44Å; Y423-Y451 AromaticContact CD2-CD2 3.64Å; Y423-Y451 HydrophobicContact CD2-CD2 3.64Å; Y423-Y451 AromaticContact CD2-CE2 3.84Å; Y423-Y451 HydrophobicContact CD2-CE2 3.84Å; Y423-Y451 AromaticContact CD2-CG 3.95Å; Y423-Y451 HydrophobicContact CD2-CG 3.95Å; Y423-Y451 HydrophobicContact CE2-CD2 4.18Å
424	P	89.3	Confident	88.9	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.032	26%	0.258	C	S	.	.			trans	-64.6	126.3	-175.6	23.4	-32.8	0	0	0	112.8	P216 Y342 A428 R434	P216-P424 HydrophobicContact CB-CG 3.9Å; P216-P424 HydrophobicContact CG-CG 3.31Å; Y342-P424 HydrophobicContact CD1-CB 4.01Å; Y342-P424 HydrophobicContact CD1-CG 3.81Å; Y342-P424 HydrophobicContact CD2-CB 3.97Å; Y342-P424 HydrophobicContact CD2-CG 4.34Å; Y342-P424 HydrophobicContact CE1-CB 3.8Å; Y342-P424 HydrophobicContact CE1-CG 4.01Å; Y342-P424 HydrophobicContact CE2-CB 3.74Å; Y342-P424 HydrophobicContact CG-CB 4.09Å; Y342-P424 HydrophobicContact CG-CG 3.98Å; P424-A428 HydrophobicContact CB-CB 4.22Å; P424-A428 HydrophobicContact CG-CB 3.88Å; P424-R434 WeakPolarHBondContact O-CB 3.29Å; P424-R434 PolarHBondContact O-N 3.06Å
425	D	91.6	Very high	89.2	Confident	53 Å²	53	43.3 Å²	43.3	28%	0.283	24%	0.239	S	C	.	.	S	Bend	trans	-73.4	-35.1	177.4	-165.4	53.1	0	0	0	112.4	K71 Y423 R434	K71-D425 WeakPolarHBondContact CD-O 3.5Å; K71-D425 WeakPolarHBondContact CE-OD2 3.45Å; K71-D425 IonicContact NZ-OD1 3.51Å; K71-D425 PolarHBondContact NZ-OD1 3.25Å; K71-D425 IonicContact NZ-OD2 2.7Å; K71-D425 PolarHBondContact NZ-OD2 2.76Å; Y423-D425 PolarHBondContact O-N 3.28Å; D425-R434 IonicContact OD1-CZ 3.52Å; D425-R434 IonicContact OD1-NE 3.31Å; D425-R434 IonicContact OD1-NH2 3.88Å; D425-R434 PolarHBondContact OD1-NH2 2.89Å
426	E	93.4	Very high	89.7	Confident	93 Å²	93	39.4 Å²	39.4	44%	0.435	22%	0.224	S	C	.	.	S	Bend	trans	-149.2	173.3	-180	64.3	174	-156.9	0	0	111.3	K71 P72 A428 N433	K71-E426 HydrophobicContact CB-CB 3.87Å; K71-E426 HydrophobicContact CD-CB 4.32Å; K71-E426 HydrophobicContact CG-CB 4.47Å; P72-E426 WeakPolarHBondContact CD-OE2 3.35Å; P72-E426 HydrophobicContact CG-CB 4.3Å; E426-A428 PolarHBondContact O-N 3.06Å; E426-N433 WeakPolarHBondContact CA-OD1 3.31Å
427	M	92.3	Very high	90.2	Very high	89 Å²	89	36.8 Å²	36.8	44%	0.438	21%	0.213	S	C	.	.	S	Bend	trans	63.6	4.7	176.6	-61.8	-62.1	-63.1	0	0	115.6	P72 G74 N433	P72-M427 HydrophobicContact CB-SD 3.86Å; P72-M427 HydrophobicContact CG-CG 4.48Å; P72-M427 HydrophobicContact CG-SD 3.92Å; P72-M427 PolarHBondContact O-N 2.04Å; G74-M427 VanDerWaalsContact CA-O 3.32Å; G74-M427 WeakPolarHBondContact CA-O 3.43Å; G74-M427 PolarHBondContact N-O 3.01Å; M427-N433 PolarHBondContact N-OD1 3.27Å
428	A	91.9	Very high	90.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-67.2	160.8	162.1	0	0	0	0	0	109.8	W73 G74 P216 P424 E426 H432 N433	W73-A428 CarbonylContact C-O 3.4Å; W73-A428 VanDerWaalsContact CA-O 3.26Å; W73-A428 WeakPolarHBondContact CA-O 3.25Å; W73-A428 VanDerWaalsContact CB-O 3.31Å; W73-A428 WeakPolarHBondContact CB-O 3.13Å; G74-A428 PolarHBondContact N-O 3.27Å; P216-A428 HydrophobicContact CG-CB 4.16Å; P424-A428 HydrophobicContact CB-CB 4.22Å; P424-A428 HydrophobicContact CG-CB 3.88Å; E426-A428 PolarHBondContact O-N 3.06Å; A428-H432 HydrophobicContact CB-CB 3.82Å; A428-N433 WeakPolarHBondContact CB-OD1 3.31Å; A428-N433 PolarHBondContact N-OD1 3.13Å
429	P	93.1	Very high	91.6	Very high	7 Å²	7	30.3 Å²	30.3	5%	0.045	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-49.3	151.6	170.9	-24.5	32.4	0	0	0	111.6	Y342 F343 G431 H432	Y342-P429 WeakPolarHBondContact O-CD 3.14Å; Y342-P429 VanDerWaalsContact O-CG 3.28Å; Y342-P429 WeakPolarHBondContact O-CG 3.29Å; F343-P429 HydrophobicContact CB-CG 4.43Å; F343-P429 HydrophobicContact CD2-CB 4.38Å; F343-P429 HydrophobicContact CD2-CG 3.59Å; F343-P429 HydrophobicContact CE2-CG 4.36Å; F343-P429 HydrophobicContact CG-CG 4.46Å; P429-G431 PolarHBondContact O-N 2.95Å; P429-H432 WeakPolarHBondContact O-CB 3.46Å; P429-H432 PolarHBondContact O-N 3.26Å
430	I	94.8	Very high	92.3	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	129	-178.8	-172.4	170.9	0	0	0	110.8	W73 Y77 E86 I209 F211 H432 Y436	W73-I430 HydrophobicContact CB-CB 4.21Å; W73-I430 HydrophobicContact CD2-CB 4.21Å; W73-I430 HydrophobicContact CD2-CD1 4.21Å; W73-I430 HydrophobicContact CD2-CG1 4.17Å; W73-I430 HydrophobicContact CG-CB 3.82Å; W73-I430 HydrophobicContact CG-CG1 4.27Å; W73-I430 HydrophobicContact CH2-CD1 4.39Å; W73-I430 HydrophobicContact CZ2-CD1 4.11Å; Y77-I430 HydrophobicContact CD1-CB 4.22Å; Y77-I430 HydrophobicContact CD1-CD1 3.71Å; Y77-I430 HydrophobicContact CD1-CG2 3.81Å; Y77-I430 HydrophobicContact CE1-CD1 3.58Å; Y77-I430 HydrophobicContact CG-CG2 4Å; E86-I430 HydrophobicContact CG-CD1 3.85Å; I209-I430 HydrophobicContact CD1-CG2 4.02Å; I209-I430 HydrophobicContact CG1-CG2 3.92Å; F211-I430 HydrophobicContact CE1-CD1 4.4Å; F211-I430 HydrophobicContact CE1-CG1 3.93Å; F211-I430 HydrophobicContact CE1-CG2 4.5Å; F211-I430 HydrophobicContact CZ-CD1 4.14Å; F211-I430 HydrophobicContact CZ-CG1 4.07Å; F211-I430 HydrophobicContact CZ-CG2 4.19Å; I430-H432 PolarHBondContact O-CD2 3.36Å; I430-Y436 HydrophobicContact CG1-CE2 4.38Å
431	G	94.9	Very high	93.1	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-19.4	-173.7	0	0	0	0	0	115.1	P429 N447	P429-G431 PolarHBondContact O-N 2.95Å; G431-N447 PolarHBondContact O-ND2 3.34Å
432	H	95.6	Very high	93.9	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.102	C	C	.	.			trans	-102.1	-1.3	-170.7	-62.6	-104	0	0	0	114.8	D210 H213 G215 P216 A217 Y423 A428 P429 I430	D210-H432 PolarHBondContact O-NE2 2.97Å; H213-H432 PolarHBondContact O-CE1 3.24Å; H213-H432 PolarHBondContact O-NE2 2.69Å; G215-H432 VanDerWaalsContact CA-ND1 3.3Å; G215-H432 WeakPolarHBondContact CA-ND1 3.38Å; G215-H432 PolarHBondContact O-ND1 3.12Å; P216-H432 HydrophobicContact CG-CB 4.32Å; A217-H432 HydrophobicContact CB-CB 4.18Å; A217-H432 WeakPolarHBondContact CB-ND1 3.36Å; A217-H432 PolarHBondContact N-ND1 3.08Å; A217-H432 VanDerWaalsContact N-ND1 3.16Å; Y423-H432 WeakPolarHBondContact CE1-O 3.31Å; Y423-H432 PolarHBondContact OH-O 3.4Å; A428-H432 HydrophobicContact CB-CB 3.82Å; P429-H432 WeakPolarHBondContact O-CB 3.46Å; P429-H432 PolarHBondContact O-N 3.26Å; I430-H432 PolarHBondContact O-CD2 3.36Å
433	N	95.3	Very high	94.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	-62.9	149.6	171.8	-72.5	-11.6	0	0	0	110.4	D69 P72 E426 M427 A428 D435 Y436 N447	D69-N433 WeakPolarHBondContact OD2-CB 3.43Å; D69-N433 PolarHBondContact OD2-ND2 3.32Å; P72-N433 PolarHBondContact O-ND2 3.42Å; P72-N433 VanDerWaalsContact O-ND2 3.11Å; E426-N433 WeakPolarHBondContact CA-OD1 3.31Å; M427-N433 PolarHBondContact N-OD1 3.27Å; A428-N433 WeakPolarHBondContact CB-OD1 3.31Å; A428-N433 PolarHBondContact N-OD1 3.13Å; N433-D435 VanDerWaalsContact C-N 3.29Å; N433-D435 PolarHBondContact O-N 3.41Å; N433-Y436 VanDerWaalsContact O-CB 3.26Å; N433-Y436 WeakPolarHBondContact O-CB 3.26Å; N433-Y436 PolarHBondContact O-N 2.86Å; N433-N447 PolarHBondContact O-ND2 3.05Å
434	R	95	Very high	94.6	Very high	47 Å²	47	20.1 Å²	20.1	18%	0.177	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-44.4	-178.1	-174.2	172.7	61.6	-160.4	-3	113.8	N420 Y423 P424 D425 Y436 N447 E448	N420-R434 PolarHBondContact O-NH1 2.73Å; Y423-R434 HydrophobicContact CD1-CB 3.6Å; Y423-R434 HydrophobicContact CD1-CG 4.04Å; Y423-R434 HydrophobicContact CE1-CB 4.1Å; Y423-R434 HydrophobicContact CG-CB 4.43Å; Y423-R434 HydrophobicContact CG-CG 4.42Å; P424-R434 WeakPolarHBondContact O-CB 3.29Å; P424-R434 PolarHBondContact O-N 3.06Å; D425-R434 IonicContact OD1-CZ 3.52Å; D425-R434 IonicContact OD1-NE 3.31Å; D425-R434 IonicContact OD1-NH2 3.88Å; D425-R434 PolarHBondContact OD1-NH2 2.89Å; R434-Y436 VanDerWaalsContact C-N 3.31Å; R434-Y436 PolarHBondContact O-N 3.23Å; R434-N447 WeakPolarHBondContact O-CB 3.47Å; R434-N447 PolarHBondContact O-N 2.81Å; R434-E448 HydrophobicContact CG-CB 3.88Å; R434-E448 HydrophobicContact CG-CG 4.27Å; R434-E448 PolarHBondContact O-N 2.94Å; R434-E448 VanDerWaalsContact O-N 3.12Å
435	D	95.9	Very high	94.9	Very high	45 Å²	45	20.8 Å²	20.8	24%	0.241	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.5	-174.7	-55.5	-17.5	0	0	0	112.5	D69 K71 N433 T446	D69-D435 HydrophobicContact CB-CB 4.45Å; K71-D435 IonicContact NZ-OD2 3.28Å; K71-D435 PolarHBondContact NZ-OD2 2.83Å; N433-D435 VanDerWaalsContact C-N 3.29Å; N433-D435 PolarHBondContact O-N 3.41Å; D435-T446 WeakPolarHBondContact O-CG2 3.11Å
436	Y	96.9	Very high	95.1	Very high	6 Å²	6	19.2 Å²	19.2	2%	0.024	10%	0.098	C	C	.	.			trans	-71.5	132.4	-179.7	-152.5	-79.1	0	0	0	110.3	D69 R85 E86 R87 W88 F211 I430 N433 R434 M438 V439 T446 N447	D69-Y436 HydrophobicContact CB-CD2 4.06Å; R85-Y436 PolarHBondContact O-OH 2.92Å; E86-Y436 WeakPolarHBondContact CA-OH 3.46Å; R87-Y436 PolarHBondContact N-OH 2.82Å; W88-Y436 HydrophobicContact CB-CE1 4.34Å; F211-Y436 HydrophobicContact CD1-CE1 4.27Å; F211-Y436 HydrophobicContact CE1-CE1 4.13Å; I430-Y436 HydrophobicContact CG1-CE2 4.38Å; N433-Y436 VanDerWaalsContact O-CB 3.26Å; N433-Y436 WeakPolarHBondContact O-CB 3.26Å; N433-Y436 PolarHBondContact O-N 2.86Å; R434-Y436 VanDerWaalsContact C-N 3.31Å; R434-Y436 PolarHBondContact O-N 3.23Å; Y436-M438 PolarHBondContact O-N 3.46Å; Y436-V439 HydrophobicContact CE1-CG2 3.82Å; Y436-T446 WeakPolarHBondContact O-CA 3.16Å; Y436-N447 PolarHBondContact O-N 2.82Å
437	N	97.1	Very high	95.1	Very high	11 Å²	11	14.8 Å²	14.8	6%	0.059	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-69.2	112.8	172.4	-65.3	-41.4	0	0	0	109.3	Q67 W88 V439 P444 I445	Q67-N437 PolarHBondContact O-ND2 2.65Å; W88-N437 WeakPolarHBondContact O-CB 3.42Å; W88-N437 PolarHBondContact O-ND2 3Å; N437-V439 PolarHBondContact O-N 3.38Å; N437-P444 HydrophobicContact CB-CB 4.08Å; N437-I445 CarbonylContact C-O 3.28Å; N437-I445 WeakPolarHBondContact CA-O 3.44Å
438	M	97.6	Very high	95.3	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.072	C	C	.	.			trans	-57.9	124	-175.8	-69.3	-175.5	-61.6	0	0	111	T220 W221 Y224 Y436 F441 I445 N447 L450	T220-M438 VanDerWaalsContact C-SD 3.55Å; W221-M438 VanDerWaalsContact CA-SD 3.55Å; W221-M438 HydrophobicContact CB-SD 4.19Å; Y224-M438 HydrophobicContact CG-CE 4.16Å; Y436-M438 PolarHBondContact O-N 3.46Å; M438-F441 HydrophobicContact CB-CD2 3.64Å; M438-F441 HydrophobicContact CB-CE2 4.1Å; M438-F441 HydrophobicContact CE-CD2 4.41Å; M438-F441 PolarHBondContact O-N 2.91Å; M438-I445 HydrophobicContact CE-CG1 4.32Å; M438-I445 HydrophobicContact CE-CG2 3.74Å; M438-I445 PolarHBondContact N-O 3.28Å; M438-N447 WeakPolarHBondContact CG-OD1 3.34Å; M438-N447 PolarHBondContact SD-OD1 3.43Å; M438-L450 HydrophobicContact CE-CD2 3.39Å; M438-L450 HydrophobicContact CE-CG 3.9Å
439	V	97.7	Very high	95.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	133	-171.2	-179.4	0	0	0	0	110.7	R85 W88 Y193 S194 F211 W221 Y436 N437	R85-V439 HydrophobicContact CB-CG1 3.8Å; R85-V439 HydrophobicContact CB-CG2 4.3Å; R85-V439 HydrophobicContact CG-CG1 3.53Å; W88-V439 HydrophobicContact CB-CG2 3.62Å; W88-V439 HydrophobicContact CD2-CG1 4.26Å; W88-V439 HydrophobicContact CD2-CG2 4.43Å; W88-V439 HydrophobicContact CE3-CG1 4.21Å; W88-V439 HydrophobicContact CG-CB 4.46Å; W88-V439 HydrophobicContact CG-CG2 3.86Å; Y193-V439 HydrophobicContact CD1-CG1 4.09Å; Y193-V439 HydrophobicContact CE1-CG1 4Å; S194-V439 WeakPolarHBondContact CB-O 3.32Å; F211-V439 HydrophobicContact CB-CB 4.11Å; F211-V439 HydrophobicContact CB-CG2 4.43Å; F211-V439 HydrophobicContact CD1-CB 4.03Å; F211-V439 HydrophobicContact CD1-CG2 3.45Å; F211-V439 VanDerWaalsContact CD1-CG2 3.45Å; F211-V439 HydrophobicContact CE1-CG2 3.93Å; F211-V439 HydrophobicContact CG-CB 4.16Å; F211-V439 HydrophobicContact CG-CG2 4.1Å; W221-V439 PolarHBondContact NE1-O 2.76Å; Y436-V439 HydrophobicContact CE1-CG2 3.82Å; N437-V439 PolarHBondContact O-N 3.38Å
440	P	97	Very high	95.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.7	31.6	0.5	36.2	-32.6	0	0	0	113.9	Q26 W88 W189 Q190 Y193 F442	Q26-P440 HydrophobicContact CG-CB 4.08Å; Q26-P440 HydrophobicContact CG-CG 4.46Å; Q26-P440 PolarHBondContact NE2-O 3.39Å; W88-P440 HydrophobicContact CH2-CB 3.66Å; W88-P440 VanDerWaalsContact CZ2-C 3.43Å; W88-P440 HydrophobicContact CZ2-CB 3.65Å; W88-P440 WeakPolarHBondContact CZ2-O 3.4Å; W88-P440 HydrophobicContact CZ3-CB 4.23Å; W189-P440 HydrophobicContact CZ3-CG 4.13Å; Q190-P440 HydrophobicContact CB-CG 4.24Å; Q190-P440 HydrophobicContact CG-CG 4.25Å; Q190-P440 VanDerWaalsContact O-CD 3.29Å; Q190-P440 WeakPolarHBondContact O-CD 3.19Å; Y193-P440 HydrophobicContact CD1-CB 3.44Å; Y193-P440 VanDerWaalsContact CD1-CB 3.44Å; Y193-P440 HydrophobicContact CD1-CG 3.64Å; Y193-P440 HydrophobicContact CE1-CB 3.69Å; Y193-P440 HydrophobicContact CE1-CG 4.39Å; Y193-P440 HydrophobicContact CG-CB 4.39Å; Y193-P440 HydrophobicContact CG-CG 4.24Å; P440-F442 PolarHBondContact O-N 2.75Å
441	F	97	Very high	95.4	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	9%	0.091	C	C	.	.			trans	-60.3	141.4	-171.3	-59.3	-55.8	0	0	0	112.8	W88 Q190 W221 Y224 H225 M438 I445	W88-F441 PolarHBondContact NE1-O 2.8Å; Q190-F441 HydrophobicContact CB-CE1 4.48Å; W221-F441 AromaticContact CD1-CE2 3.72Å; W221-F441 AromaticContact CD2-CE2 3.9Å; W221-F441 HydrophobicContact CD2-CE2 3.9Å; W221-F441 AromaticContact CD2-CZ 3.94Å; W221-F441 HydrophobicContact CD2-CZ 3.94Å; W221-F441 AromaticContact CE2-CE2 3.58Å; W221-F441 AromaticContact CE2-CZ 3.53Å; W221-F441 HydrophobicContact CE3-CZ 4.38Å; W221-F441 AromaticContact CG-CE2 3.95Å; W221-F441 HydrophobicContact CG-CE2 3.95Å; W221-F441 HydrophobicContact CG-CZ 4.46Å; W221-F441 HydrophobicContact CH2-CZ 4.01Å; W221-F441 HydrophobicContact CZ2-CE1 4.29Å; W221-F441 HydrophobicContact CZ2-CE2 4.11Å; W221-F441 AromaticContact CZ2-CZ 3.59Å; W221-F441 HydrophobicContact CZ2-CZ 3.59Å; W221-F441 HydrophobicContact CZ3-CZ 4.39Å; W221-F441 AromaticContact NE1-CE2 3.48Å; W221-F441 AromaticContact NE1-CZ 3.91Å; Y224-F441 HydrophobicContact CD1-CB 4.04Å; Y224-F441 AromaticContact CD1-CD1 3.52Å; Y224-F441 HydrophobicContact CD1-CD1 3.52Å; Y224-F441 AromaticContact CD1-CD2 3.37Å; Y224-F441 HydrophobicContact CD1-CD2 3.37Å; Y224-F441 AromaticContact CD1-CE1 3.72Å; Y224-F441 HydrophobicContact CD1-CE1 3.72Å; Y224-F441 AromaticContact CD1-CE2 3.58Å; Y224-F441 HydrophobicContact CD1-CE2 3.58Å; Y224-F441 AromaticContact CD1-CG 3.35Å; Y224-F441 HydrophobicContact CD1-CG 3.35Å; Y224-F441 AromaticContact CD1-CZ 3.75Å; Y224-F441 HydrophobicContact CD1-CZ 3.75Å; Y224-F441 HydrophobicContact CE1-CB 3.61Å; Y224-F441 AromaticContact CE1-CD1 3.48Å; Y224-F441 HydrophobicContact CE1-CD1 3.48Å; Y224-F441 VanDerWaalsContact CE1-CD1 3.48Å; Y224-F441 AromaticContact CE1-CD2 3.88Å; Y224-F441 HydrophobicContact CE1-CD2 3.88Å; Y224-F441 HydrophobicContact CE1-CE1 4.1Å; Y224-F441 HydrophobicContact CE1-CE2 4.44Å; Y224-F441 AromaticContact CE1-CG 3.37Å; Y224-F441 HydrophobicContact CE1-CG 3.37Å; Y224-F441 HydrophobicContact CG-CD2 4.26Å; Y224-F441 HydrophobicContact CG-CE2 4.33Å; H225-F441 HydrophobicContact CB-CE1 4.5Å; H225-F441 HydrophobicContact CB-CZ 3.95Å; M438-F441 HydrophobicContact CB-CD2 3.64Å; M438-F441 HydrophobicContact CB-CE2 4.1Å; M438-F441 HydrophobicContact CE-CD2 4.41Å; M438-F441 PolarHBondContact O-N 2.91Å; F441-I445 HydrophobicContact CB-CG2 3.95Å; F441-I445 HydrophobicContact CD2-CG2 4.41Å
442	F	94.6	Very high	95.4	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.031	10%	0.103	C	C	.	.	S	Bend	trans	-139.1	131.6	177.9	-163.6	-84.1	0	0	0	110.4	F27 P28 C42 P89 T96 Y158 P440 P444	F27-F442 HydrophobicContact CD1-CB 4.31Å; F27-F442 AromaticContact CD1-CD2 3.61Å; F27-F442 HydrophobicContact CD1-CD2 3.61Å; F27-F442 HydrophobicContact CD1-CE2 4.08Å; F27-F442 AromaticContact CD1-CG 3.94Å; F27-F442 HydrophobicContact CD1-CG 3.94Å; F27-F442 AromaticContact CE1-CD2 3.95Å; F27-F442 HydrophobicContact CE1-CD2 3.95Å; F27-F442 HydrophobicContact CE1-CE2 4.48Å; P28-F442 VanDerWaalsContact CD-CD1 3.41Å; P28-F442 HydrophobicContact CG-CD1 3.87Å; P28-F442 HydrophobicContact CG-CE1 3.84Å; C42-F442 HydrophobicContact CB-CE1 4.47Å; C42-F442 HydrophobicContact CB-CZ 3.79Å; C42-F442 WeakPolarHBondContact SG-CE1 3.48Å; C42-F442 WeakPolarHBondContact SG-CZ 3.45Å; P89-F442 HydrophobicContact CG-CD2 4.35Å; P89-F442 HydrophobicContact CG-CE2 4.28Å; T96-F442 HydrophobicContact CG2-CE2 3.65Å; T96-F442 HydrophobicContact CG2-CZ 3.67Å; Y158-F442 HydrophobicContact CE1-CB 4.37Å; Y158-F442 WeakPolarHBondContact CE1-O 3.48Å; Y158-F442 PolarHBondContact OH-O 2.73Å; P440-F442 PolarHBondContact O-N 2.75Å; F442-P444 HydrophobicContact CD2-CG 4.42Å; F442-P444 HydrophobicContact CE2-CG 4.44Å
443	P	92.3	Very high	95.2	Very high	24 Å²	24	21.2 Å²	21.2	16%	0.156	11%	0.112	C	C	.	.	S	Bend	cis	-60.8	158.1	-1.1	29.6	-36.7	0	0	0	112	I445	P443-I445 PolarHBondContact O-N 2.78Å
444	P	93.8	Very high	95.2	Very high	25 Å²	25	21.5 Å²	21.5	16%	0.162	11%	0.113	C	C	.	.			trans	-59.1	134.7	-177	-26.4	38.4	0	0	0	111.5	L66 P89 N437 F442	L66-P444 HydrophobicContact CD1-CB 4.05Å; L66-P444 HydrophobicContact CD1-CG 3.59Å; P89-P444 HydrophobicContact CG-CG 3.9Å; N437-P444 HydrophobicContact CB-CB 4.08Å; F442-P444 HydrophobicContact CD2-CG 4.42Å; F442-P444 HydrophobicContact CE2-CG 4.44Å
445	I	94.3	Very high	95	Very high	19 Å²	19	23.7 Å²	23.7	10%	0.097	13%	0.129	C	C	.	.			trans	-137.9	136.2	179.2	-174.1	158.7	0	0	0	109.4	Y224 N437 M438 F441 P443 E449 L450	Y224-I445 HydrophobicContact CD1-CG2 4.2Å; Y224-I445 HydrophobicContact CD2-CD1 3.64Å; Y224-I445 HydrophobicContact CD2-CG2 4.15Å; Y224-I445 HydrophobicContact CE1-CG2 4.02Å; Y224-I445 HydrophobicContact CE2-CD1 3.43Å; Y224-I445 VanDerWaalsContact CE2-CD1 3.43Å; Y224-I445 HydrophobicContact CE2-CG1 4.45Å; Y224-I445 HydrophobicContact CE2-CG2 3.94Å; Y224-I445 HydrophobicContact CG-CG2 4.24Å; N437-I445 CarbonylContact C-O 3.28Å; N437-I445 WeakPolarHBondContact CA-O 3.44Å; M438-I445 HydrophobicContact CE-CG1 4.32Å; M438-I445 HydrophobicContact CE-CG2 3.74Å; M438-I445 PolarHBondContact N-O 3.28Å; F441-I445 HydrophobicContact CB-CG2 3.95Å; F441-I445 HydrophobicContact CD2-CG2 4.41Å; P443-I445 PolarHBondContact O-N 2.78Å; I445-E449 HydrophobicContact CD1-CB 4.23Å; I445-E449 HydrophobicContact CG1-CB 3.92Å; I445-E449 HydrophobicContact CG1-CG 4.43Å; I445-L450 HydrophobicContact CD1-CD2 3.38Å; I445-L450 HydrophobicContact CG1-CD2 3.56Å
446	T	95.9	Very high	94.9	Very high	21 Å²	21	28.7 Å²	28.7	13%	0.129	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-91.8	163.3	-175.5	69.4	0	0	0	0	112.8	D435 Y436 E448 E449	D435-T446 WeakPolarHBondContact O-CG2 3.11Å; Y436-T446 WeakPolarHBondContact O-CA 3.16Å; T446-E448 PolarHBondContact O-N 3Å; T446-E449 PolarHBondContact N-OE1 2.93Å; T446-E449 PolarHBondContact O-N 3.33Å; T446-E449 PolarHBondContact OG1-N 3.47Å
447	N	95.3	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-38.4	171.6	-66	-62.1	0	0	0	111.7	A217 T220 Y423 G431 N433 R434 Y436 M438 E449 L450 Y451	A217-N447 WeakPolarHBondContact CB-OD1 3.42Å; T220-N447 HydrophobicContact CG2-CB 4.45Å; T220-N447 WeakPolarHBondContact CG2-O 3.45Å; T220-N447 PolarHBondContact OG1-OD1 2.72Å; Y423-N447 HydrophobicContact CE1-CB 4.14Å; Y423-N447 HydrophobicContact CE2-CB 4.18Å; Y423-N447 WeakPolarHBondContact OH-CB 3.46Å; Y423-N447 PolarHBondContact OH-ND2 3.3Å; Y423-N447 PolarHBondContact OH-OD1 3.1Å; G431-N447 PolarHBondContact O-ND2 3.34Å; N433-N447 PolarHBondContact O-ND2 3.05Å; R434-N447 WeakPolarHBondContact O-CB 3.47Å; R434-N447 PolarHBondContact O-N 2.81Å; Y436-N447 PolarHBondContact O-N 2.82Å; M438-N447 WeakPolarHBondContact CG-OD1 3.34Å; M438-N447 PolarHBondContact SD-OD1 3.43Å; N447-E449 VanDerWaalsContact C-N 3.27Å; N447-E449 PolarHBondContact O-N 2.99Å; N447-L450 PolarHBondContact O-N 3.04Å; N447-L450 VanDerWaalsContact O-N 3.08Å; N447-Y451 PolarHBondContact O-N 2.99Å; N447-Y451 VanDerWaalsContact O-N 3.08Å
448	E	94.8	Very high	94.8	Very high	72 Å²	72	28.9 Å²	28.9	34%	0.336	15%	0.147	S	C	.	.	H	α-helix	trans	-55.1	-40.3	178	-167.6	179.2	-150.9	0	0	112.9	N420 R434 T446 L450 Y451	N420-E448 PolarHBondContact ND2-OE1 3.34Å; R434-E448 HydrophobicContact CG-CB 3.88Å; R434-E448 HydrophobicContact CG-CG 4.27Å; R434-E448 PolarHBondContact O-N 2.94Å; R434-E448 VanDerWaalsContact O-N 3.12Å; T446-E448 PolarHBondContact O-N 3Å; E448-L450 PolarHBondContact O-N 3.09Å; E448-Y451 PolarHBondContact O-N 3.04Å
449	E	93.4	Very high	94.8	Very high	92 Å²	92	28.9 Å²	28.9	43%	0.43	15%	0.147	S	C	.	.	H	α-helix	trans	-64.5	-21.8	-178.6	-70.8	-177.8	-101.8	0	0	113.1	I445 T446 N447	I445-E449 HydrophobicContact CD1-CB 4.23Å; I445-E449 HydrophobicContact CG1-CB 3.92Å; I445-E449 HydrophobicContact CG1-CG 4.43Å; T446-E449 PolarHBondContact N-OE1 2.93Å; T446-E449 PolarHBondContact O-N 3.33Å; T446-E449 PolarHBondContact OG1-N 3.47Å; N447-E449 VanDerWaalsContact C-N 3.27Å; N447-E449 PolarHBondContact O-N 2.99Å
450	L	94.9	Very high	94.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-106.2	-11.1	-179	-76.2	-55.5	0	0	0	113.6	T220 R223 Y224 L227 M438 I445 N447 E448 V452 L457	T220-L450 HydrophobicContact CG2-CB 4Å; R223-L450 HydrophobicContact CG-CD1 4.29Å; R223-L450 PolarHBondContact NH1-O 3.11Å; Y224-L450 HydrophobicContact CD2-CD1 4.21Å; Y224-L450 HydrophobicContact CD2-CD2 4.14Å; Y224-L450 HydrophobicContact CD2-CG 4.42Å; L227-L450 HydrophobicContact CD1-CD1 4.05Å; M438-L450 HydrophobicContact CE-CD2 3.39Å; M438-L450 HydrophobicContact CE-CG 3.9Å; I445-L450 HydrophobicContact CD1-CD2 3.38Å; I445-L450 HydrophobicContact CG1-CD2 3.56Å; N447-L450 PolarHBondContact O-N 3.04Å; N447-L450 VanDerWaalsContact O-N 3.08Å; E448-L450 PolarHBondContact O-N 3.09Å; L450-V452 PolarHBondContact O-N 3.07Å; L450-L457 HydrophobicContact CD1-CD1 4.14Å; L450-L457 HydrophobicContact CD1-CD2 4.27Å
451	Y	94.6	Very high	94.7	Very high	5 Å²	5	32 Å²	32	2%	0.02	17%	0.165	C	C	.	.	S	Bend	trans	-80.5	55	176.7	-160.7	-107.8	0	0	0	111.4	T220 F337 F409 W412 M413 P418 T422 Y423 N447 E448	T220-Y451 HydrophobicContact CG2-CD2 4.11Å; F337-Y451 WeakPolarHBondContact CB-OH 3.47Å; F337-Y451 HydrophobicContact CD1-CE2 4.08Å; F337-Y451 AromaticContact CD2-CE2 3.89Å; F337-Y451 HydrophobicContact CD2-CE2 3.89Å; F337-Y451 WeakPolarHBondContact CD2-OH 3.4Å; F337-Y451 AromaticContact CE1-CE2 3.83Å; F337-Y451 HydrophobicContact CE1-CE2 3.83Å; F337-Y451 AromaticContact CE2-CE2 3.64Å; F337-Y451 HydrophobicContact CE2-CE2 3.64Å; F337-Y451 HydrophobicContact CG-CE2 4.12Å; F337-Y451 WeakPolarHBondContact CG-OH 3.47Å; F337-Y451 HydrophobicContact CZ-CD2 4.36Å; F337-Y451 AromaticContact CZ-CE2 3.61Å; F337-Y451 HydrophobicContact CZ-CE2 3.61Å; F409-Y451 HydrophobicContact CE2-CD2 4.33Å; F409-Y451 AromaticContact CE2-CE2 3.87Å; F409-Y451 HydrophobicContact CE2-CE2 3.87Å; F409-Y451 AromaticContact CZ-CD2 3.68Å; F409-Y451 HydrophobicContact CZ-CD2 3.68Å; F409-Y451 AromaticContact CZ-CE2 3.69Å; F409-Y451 HydrophobicContact CZ-CE2 3.69Å; W412-Y451 VanDerWaalsContact CH2-OH 3.26Å; W412-Y451 WeakPolarHBondContact CH2-OH 3.45Å; W412-Y451 HydrophobicContact CZ3-CE2 4.41Å; W412-Y451 WeakPolarHBondContact CZ3-OH 3.19Å; M413-Y451 HydrophobicContact CE-CD1 4.49Å; M413-Y451 WeakPolarHBondContact CE-O 3.49Å; M413-Y451 HydrophobicContact SD-CE1 4.47Å; M413-Y451 HydrophobicContact SD-CE2 4.23Å; P418-Y451 HydrophobicContact CB-CE1 4.38Å; P418-Y451 HydrophobicContact CG-CE1 4.03Å; T422-Y451 PolarHBondContact OG1-OH 2.78Å; Y423-Y451 HydrophobicContact CD2-CD1 4.44Å; Y423-Y451 AromaticContact CD2-CD2 3.64Å; Y423-Y451 HydrophobicContact CD2-CD2 3.64Å; Y423-Y451 AromaticContact CD2-CE2 3.84Å; Y423-Y451 HydrophobicContact CD2-CE2 3.84Å; Y423-Y451 AromaticContact CD2-CG 3.95Å; Y423-Y451 HydrophobicContact CD2-CG 3.95Å; Y423-Y451 HydrophobicContact CE2-CD2 4.18Å; N447-Y451 PolarHBondContact O-N 2.99Å; N447-Y451 VanDerWaalsContact O-N 3.08Å; E448-Y451 PolarHBondContact O-N 3.04Å
452	V	93.4	Very high	94.7	Very high	44 Å²	44	34.5 Å²	34.5	27%	0.267	19%	0.186	S	C	.	.	S	Bend	trans	-136.7	160.6	-179.5	-63.9	0	0	0	0	109.8	R223 L450 R456 L457	R223-V452 PolarHBondContact NH1-O 3.33Å; L450-V452 PolarHBondContact O-N 3.07Å; V452-R456 HydrophobicContact CB-CB 4.27Å; V452-R456 HydrophobicContact CB-CG 4.43Å; V452-R456 HydrophobicContact CG2-CB 4.02Å; V452-L457 HydrophobicContact CG2-CD1 3.96Å; V452-L457 HydrophobicContact CG2-CD2 3.83Å; V452-L457 HydrophobicContact CG2-CG 3.76Å
453	A	93.1	Very high	94.6	Very high	23 Å²	23	36.3 Å²	36.3	19%	0.19	20%	0.195	C	C	.	.			trans	-64.4	150.9	174.4	0	0	0	0	0	112.1	D455 R456	A453-D455 WeakPolarHBondContact CB-OD1 3.43Å; A453-D455 PolarHBondContact O-N 2.75Å; A453-R456 WeakPolarHBondContact O-CB 3.47Å; A453-R456 PolarHBondContact O-N 3.06Å
454	S	94.8	Very high	94.4	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-30.6	-174.5	63	0	0	0	0	113.7	D410 R456 L457 G458 Y459	D410-S454 VanDerWaalsContact CG-CB 3.43Å; D410-S454 WeakPolarHBondContact OD1-CB 3.3Å; D410-S454 PolarHBondContact OD1-N 2.86Å; D410-S454 PolarHBondContact OD1-OG 3.46Å; D410-S454 VanDerWaalsContact OD1-OG 3.11Å; D410-S454 WeakPolarHBondContact OD2-CB 3.46Å; D410-S454 PolarHBondContact OD2-OG 3.07Å; S454-R456 PolarHBondContact O-N 3.07Å; S454-L457 CarbonylContact O-C 3.56Å; S454-L457 WeakPolarHBondContact O-CA 3.37Å; S454-L457 WeakPolarHBondContact O-CB 3.4Å; S454-L457 PolarHBondContact O-N 3.28Å; S454-G458 PolarHBondContact O-N 3.16Å; S454-Y459 CarbonylContact C-O 3.55Å; S454-Y459 WeakPolarHBondContact CB-O 3.32Å; S454-Y459 PolarHBondContact O-N 2.86Å; S454-Y459 VanDerWaalsContact O-O 3.11Å; S454-Y459 PolarHBondContact OG-O 2.8Å
455	D	91.2	Very high	94	Very high	93 Å²	93	37.6 Å²	37.6	50%	0.497	21%	0.205	S	C	.	.	H	α-helix	trans	-59.9	-33.1	176.6	74.9	-53.8	0	0	0	112.2	A453 L457 G458 Y459	A453-D455 WeakPolarHBondContact CB-OD1 3.43Å; A453-D455 PolarHBondContact O-N 2.75Å; D455-L457 PolarHBondContact O-N 3.06Å; D455-G458 PolarHBondContact O-N 3.01Å; D455-Y459 PolarHBondContact N-O 3.25Å
456	R	93.2	Very high	92.5	Very high	150 Å²	150	40.9 Å²	40.9	57%	0.566	22%	0.223	S	C	*	.	H	α-helix	trans	-68.4	-27.9	175	-61	-68.8	-66	-172.7	-4.9	111.8	R123 V452 A453 S454	R123-R456 PolarHBondContact NH1-O 3.03Å; V452-R456 HydrophobicContact CB-CB 4.27Å; V452-R456 HydrophobicContact CB-CG 4.43Å; V452-R456 HydrophobicContact CG2-CB 4.02Å; A453-R456 WeakPolarHBondContact O-CB 3.47Å; A453-R456 PolarHBondContact O-N 3.06Å; S454-R456 PolarHBondContact O-N 3.07Å
457	L	95.8	Very high	90.5	Very high	16 Å²	16	45 Å²	45	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-95.4	-3.8	-178.6	-57.7	172.8	0	0	0	112.6	F113 G114 R223 L227 L450 V452 S454 D455 Y459	F113-L457 CarbonylContact C-O 3.58Å; F113-L457 HydrophobicContact CB-CB 4.29Å; F113-L457 HydrophobicContact CB-CD2 4.23Å; F113-L457 WeakPolarHBondContact CB-O 3.46Å; G114-L457 PolarHBondContact N-O 2.84Å; R223-L457 HydrophobicContact CG-CD1 4.41Å; L227-L457 HydrophobicContact CD1-CB 4.42Å; L227-L457 HydrophobicContact CD1-CD1 4.03Å; L450-L457 HydrophobicContact CD1-CD1 4.14Å; L450-L457 HydrophobicContact CD1-CD2 4.27Å; V452-L457 HydrophobicContact CG2-CD1 3.96Å; V452-L457 HydrophobicContact CG2-CD2 3.83Å; V452-L457 HydrophobicContact CG2-CG 3.76Å; S454-L457 CarbonylContact O-C 3.56Å; S454-L457 WeakPolarHBondContact O-CA 3.37Å; S454-L457 WeakPolarHBondContact O-CB 3.4Å; S454-L457 PolarHBondContact O-N 3.28Å; D455-L457 PolarHBondContact O-N 3.06Å; L457-Y459 HydrophobicContact CB-CD1 3.79Å; L457-Y459 HydrophobicContact CB-CE1 3.58Å; L457-Y459 HydrophobicContact CD1-CE1 3.88Å; L457-Y459 HydrophobicContact CG-CE1 4.35Å
458	G	95.4	Very high	88.3	Confident	6 Å²	6	48 Å²	48	6%	0.062	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	30.2	173.9	0	0	0	0	0	114.8	P126 V127 S454 D455	P126-G458 WeakPolarHBondContact CA-O 2.87Å; V127-G458 PolarHBondContact N-O 3.46Å; S454-G458 PolarHBondContact O-N 3.16Å; D455-G458 PolarHBondContact O-N 3.01Å
459	Y	97.4	Very high	85.8	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	170.7	169.4	72	-76.2	0	0	0	110.6	V127 R223 L227 D406 S454 D455 L457 Y461	V127-Y459 CarbonylContact O-C 3.52Å; V127-Y459 WeakPolarHBondContact O-CA 3.25Å; V127-Y459 WeakPolarHBondContact O-CB 3.21Å; R223-Y459 PolarHBondContact NE-OH 2.91Å; L227-Y459 HydrophobicContact CD1-CE1 4.08Å; L227-Y459 HydrophobicContact CD2-CD1 3.72Å; L227-Y459 HydrophobicContact CD2-CE1 3.76Å; L227-Y459 HydrophobicContact CD2-CG 4.46Å; L227-Y459 HydrophobicContact CG-CE1 4.28Å; D406-Y459 PolarHBondContact OD1-OH 3.37Å; D406-Y459 VanDerWaalsContact OD2-CE2 3.27Å; D406-Y459 WeakPolarHBondContact OD2-CE2 3Å; D406-Y459 PolarHBondContact OD2-OH 2.81Å; S454-Y459 CarbonylContact C-O 3.55Å; S454-Y459 WeakPolarHBondContact CB-O 3.32Å; S454-Y459 PolarHBondContact O-N 2.86Å; S454-Y459 VanDerWaalsContact O-O 3.11Å; S454-Y459 PolarHBondContact OG-O 2.8Å; D455-Y459 PolarHBondContact N-O 3.25Å; L457-Y459 HydrophobicContact CB-CD1 3.79Å; L457-Y459 HydrophobicContact CB-CE1 3.58Å; L457-Y459 HydrophobicContact CD1-CE1 3.88Å; L457-Y459 HydrophobicContact CG-CE1 4.35Å; Y459-Y461 HydrophobicContact CD2-CE2 4.1Å; Y459-Y461 HydrophobicContact CE2-CD2 4.44Å; Y459-Y461 AromaticContact CE2-CE2 3.57Å; Y459-Y461 HydrophobicContact CE2-CE2 3.57Å
460	S	96.9	Very high	83.3	Confident	39 Å²	39	53.6 Å²	53.6	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	168.3	176.9	58.9	0	0	0	0	110.1	V127 V128 R129	V127-S460 PolarHBondContact O-N 3.3Å; V128-S460 WeakPolarHBondContact CA-O 3.16Å; R129-S460 PolarHBondContact N-O 3.22Å
461	Y	97.1	Very high	80.6	Confident	26 Å²	26	55.6 Å²	55.6	10%	0.102	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.4	177.2	-71.4	-83.8	0	0	0	111.7	R129 Y247 S403 D406 A407 D410 Y459 I463	R129-Y461 HydrophobicContact CB-CD1 3.65Å; R129-Y461 HydrophobicContact CB-CE1 3.65Å; R129-Y461 HydrophobicContact CG-CE1 4.24Å; R129-Y461 PolarHBondContact NH1-OH 2.85Å; R129-Y461 WeakPolarHBondContact O-CA 3.23Å; Y247-Y461 AromaticContact CD1-CD1 3.71Å; Y247-Y461 HydrophobicContact CD1-CD1 3.71Å; Y247-Y461 HydrophobicContact CD1-CE1 4.16Å; Y247-Y461 HydrophobicContact CE1-CD1 4.16Å; Y247-Y461 HydrophobicContact CG-CD1 4.48Å; S403-Y461 WeakPolarHBondContact O-CE1 3.2Å; S403-Y461 VanDerWaalsContact O-CZ 3.24Å; S403-Y461 PolarHBondContact O-OH 3Å; D406-Y461 WeakPolarHBondContact CB-OH 3.3Å; D406-Y461 PolarHBondContact OD2-OH 3.41Å; A407-Y461 HydrophobicContact CB-CD1 3.56Å; A407-Y461 HydrophobicContact CB-CD2 3.86Å; A407-Y461 HydrophobicContact CB-CE1 3.64Å; A407-Y461 HydrophobicContact CB-CE2 3.93Å; A407-Y461 HydrophobicContact CB-CG 3.67Å; D410-Y461 HydrophobicContact CB-CD2 4.35Å; D410-Y461 HydrophobicContact CB-CE2 4.37Å; Y459-Y461 HydrophobicContact CD2-CE2 4.1Å; Y459-Y461 HydrophobicContact CE2-CD2 4.44Å; Y459-Y461 AromaticContact CE2-CE2 3.57Å; Y459-Y461 HydrophobicContact CE2-CE2 3.57Å; Y461-I463 PolarHBondContact O-N 3.44Å
462	A	96.3	Very high	78.1	Confident	54 Å²	54	57.2 Å²	57.2	45%	0.446	34%	0.335	S	S	.	.			trans	-82.1	66.7	169.2	0	0	0	0	0	110.4	V128 R129 K130 Y247	V128-A462 HydrophobicContact CG1-CB 3.71Å; R129-A462 PolarHBondContact O-N 3.37Å; K130-A462 HydrophobicContact CG-CB 4.13Å; Y247-A462 PolarHBondContact OH-O 3.39Å
463	I	93.4	Very high	75.8	Confident	45 Å²	45	60.4 Å²	60.4	23%	0.231	35%	0.354	C	S	.	.			trans	-139.7	148.6	-176.8	-164	168.8	0	0	0	111.6	Y247 F404 Y461 L465	Y247-I463 HydrophobicContact CE1-CB 4.44Å; Y247-I463 HydrophobicContact CE2-CD1 3.89Å; Y247-I463 WeakPolarHBondContact OH-CB 3.46Å; F404-I463 HydrophobicContact CD2-CD1 4.19Å; F404-I463 HydrophobicContact CE2-CD1 3.54Å; Y461-I463 PolarHBondContact O-N 3.44Å; I463-L465 HydrophobicContact CD1-CD1 4.28Å; I463-L465 HydrophobicContact CD1-CD2 3.54Å; I463-L465 HydrophobicContact CD1-CG 3.86Å; I463-L465 HydrophobicContact CG1-CD2 4.01Å; I463-L465 HydrophobicContact CG1-CG 4.05Å; I463-L465 HydrophobicContact CG2-CG 4.4Å
464	S	87.9	Confident	73.6	Confident	73 Å²	73	67.1 Å²	67.1	51%	0.51	38%	0.379	S	S	.	.			trans	-116.6	117.1	164.3	-176.8	0	0	0	0	108.8
465	L	84.1	Confident	71.4	Confident	4 Å²	4	71 Å²	71	2%	0.021	40%	0.403	C	S	.	.			trans	-108.2	2.8	174.5	-64.1	177.7	0	0	0	111.7	M325 V328 L332 I408 E411 R415 I463	M325-L465 HydrophobicContact CE-CD2 3.72Å; V328-L465 HydrophobicContact CG1-CD2 4.31Å; L332-L465 HydrophobicContact CD1-CB 3.89Å; L332-L465 HydrophobicContact CD1-CD1 4.12Å; I408-L465 HydrophobicContact CG1-CD1 4.32Å; E411-L465 HydrophobicContact CB-CD1 3.94Å; E411-L465 HydrophobicContact CG-CB 4.06Å; E411-L465 HydrophobicContact CG-CD1 4.16Å; R415-L465 VanDerWaalsContact NH2-C 3.32Å; R415-L465 PolarHBondContact NH2-O 2.91Å; I463-L465 HydrophobicContact CD1-CD1 4.28Å; I463-L465 HydrophobicContact CD1-CD2 3.54Å; I463-L465 HydrophobicContact CD1-CG 3.86Å; I463-L465 HydrophobicContact CG1-CD2 4.01Å; I463-L465 HydrophobicContact CG1-CG 4.05Å; I463-L465 HydrophobicContact CG2-CG 4.4Å
466	D	63.4	Low	69.4	Low	88 Å²	88	71.7 Å²	71.7	47%	0.471	41%	0.406	S	S	.	.			trans	-86.6	-5.5	-170.1	-81.3	-17.1	0	0	0	114.9	R415 A468	R415-D466 IonicContact CZ-OD1 2.79Å; R415-D466 VanDerWaalsContact CZ-OD1 3.22Å; R415-D466 IonicContact NE-OD1 2.82Å; R415-D466 PolarHBondContact NE-OD1 3.27Å; R415-D466 IonicContact NH2-OD1 3.23Å; R415-D466 PolarHBondContact NH2-OD1 2.85Å; D466-A468 PolarHBondContact O-N 2.7Å
467	D	54.7	Low	67.5	Low	106 Å²	106	66.7 Å²	66.7	57%	0.567	40%	0.401	S	S	*	.			trans	-73.7	74	-177.2	-65.9	-27.4	0	0	0	111.2	R329	R329-D467 PolarHBondContact NE-O 3.36Å; R329-D467 PolarHBondContact NH2-O 2.98Å
468	A	47.4	Very low	65.7	Low	65 Å²	65	68.9 Å²	68.9	54%	0.537	42%	0.418	S	S	.	.			trans	-71.4	120.4	141.8	0	0	0	0	0	106.5	D466 E470	D466-A468 PolarHBondContact O-N 2.7Å; A468-E470 HydrophobicContact CB-CG 4Å; A468-E470 PolarHBondContact O-N 2.9Å
469	D	43.2	Very low	64.1	Low	121 Å²	121	72.4 Å²	72.4	65%	0.647	44%	0.438	S	S	*	.			trans	-68	66.8	164.4	-161.4	0.1	0	0	0	108.3	G471 A472	D469-G471 PolarHBondContact O-N 2.78Å; D469-A472 HydrophobicContact CB-CB 4.39Å; D469-A472 PolarHBondContact O-N 2.89Å; D469-A472 PolarHBondContact OD1-N 3.12Å
470	E	41.9	Very low	62.5	Low	159 Å²	159	77.9 Å²	77.9	74%	0.743	47%	0.467	S	S	*	.	H	α-helix	trans	-61	-22.1	175.8	-74.6	-159.2	156.7	0	0	110.8	A468 F474	A468-E470 HydrophobicContact CB-CG 4Å; A468-E470 PolarHBondContact O-N 2.9Å; E470-F474 WeakPolarHBondContact O-CB 3.29Å; E470-F474 PolarHBondContact O-N 2.94Å
471	G	37.8	Very low	61	Low	44 Å²	44	77.7 Å²	77.7	45%	0.454	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-43.1	174.8	0	0	0	0	0	113.1	D469 V475	D469-G471 PolarHBondContact O-N 2.78Å; G471-V475 WeakPolarHBondContact O-CB 3.46Å; G471-V475 WeakPolarHBondContact O-CG2 3.36Å; G471-V475 PolarHBondContact O-N 3.23Å
472	A	42.3	Very low	59.7	Low	38 Å²	38	78.6 Å²	78.6	31%	0.314	49%	0.488	S	S	.	.	H	α-helix	trans	-69.9	-41.6	-176.7	0	0	0	0	0	112.7	D469 L476	D469-A472 HydrophobicContact CB-CB 4.39Å; D469-A472 PolarHBondContact O-N 2.89Å; D469-A472 PolarHBondContact OD1-N 3.12Å; A472-L476 WeakPolarHBondContact O-CB 3.49Å; A472-L476 PolarHBondContact O-N 2.86Å; A472-L476 VanDerWaalsContact O-N 3.07Å
473	V	45.4	Very low	58.8	Low	112 Å²	112	80.4 Å²	80.4	68%	0.679	49%	0.493	S	S	*	.	H	α-helix	trans	-72.8	-38.5	-177.8	-177.1	0	0	0	0	111.5	G477	V473-G477 PolarHBondContact O-N 2.93Å
474	F	45.1	Very low	58.1	Low	163 Å²	163	85.1 Å²	85.1	72%	0.715	51%	0.513	S	S	*	.	H	α-helix	trans	-68.1	-39.1	177.5	-168.5	-96.5	0	0	0	112.1	E470 S478	E470-F474 WeakPolarHBondContact O-CB 3.29Å; E470-F474 PolarHBondContact O-N 2.94Å; F474-S478 WeakPolarHBondContact O-CB 3.49Å; F474-S478 PolarHBondContact O-N 3.3Å; F474-S478 PolarHBondContact O-OG 3.44Å
475	V	50.1	Low	57.6	Low	88 Å²	88	86 Å²	86	53%	0.533	52%	0.515	S	S	.	.	H	α-helix	trans	-70.7	-39.8	178.7	173.8	0	0	0	0	111.8	G471 S478 T479	G471-V475 WeakPolarHBondContact O-CB 3.46Å; G471-V475 WeakPolarHBondContact O-CG2 3.36Å; G471-V475 PolarHBondContact O-N 3.23Å; V475-S478 PolarHBondContact O-OG 2.88Å; V475-T479 WeakPolarHBondContact O-CB 3.37Å; V475-T479 VanDerWaalsContact O-CG2 3.26Å; V475-T479 WeakPolarHBondContact O-CG2 3.44Å; V475-T479 PolarHBondContact O-N 3.02Å; V475-T479 VanDerWaalsContact O-N 3.11Å; V475-T479 PolarHBondContact O-OG1 3.42Å
476	L	49.5	Very low	57.3	Low	107 Å²	107	87.4 Å²	87.4	56%	0.56	53%	0.53	S	S	*	.	H	α-helix	trans	-68.9	-40.3	174.3	-86.8	153.8	0	0	0	112.3	A472 T479 L480	A472-L476 WeakPolarHBondContact O-CB 3.49Å; A472-L476 PolarHBondContact O-N 2.86Å; A472-L476 VanDerWaalsContact O-N 3.07Å; L476-T479 WeakPolarHBondContact CA-OG1 3.27Å; L476-T479 PolarHBondContact O-OG1 2.99Å; L476-T479 VanDerWaalsContact O-OG1 3.04Å; L476-L480 WeakPolarHBondContact O-CB 3.23Å; L476-L480 WeakPolarHBondContact O-CG 3.46Å; L476-L480 PolarHBondContact O-N 3.49Å
477	G	52.5	Low	58.4	Low	45 Å²	45	88.1 Å²	88.1	46%	0.464	53%	0.533	S	S	.	.	H	α-helix	trans	-66.5	-40.5	177.8	0	0	0	0	0	113.3	V473 G481	V473-G477 PolarHBondContact O-N 2.93Å; G477-G481 PolarHBondContact O-N 3.37Å
478	S	58	Low	59.8	Low	63 Å²	63	87.4 Å²	87.4	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-75	-32.6	179.3	48.9	0	0	0	0	113.1	F474 V475 G482	F474-S478 WeakPolarHBondContact O-CB 3.49Å; F474-S478 PolarHBondContact O-N 3.3Å; F474-S478 PolarHBondContact O-OG 3.44Å; V475-S478 PolarHBondContact O-OG 2.88Å; S478-G482 PolarHBondContact O-N 3.46Å
479	T	61.6	Low	61.5	Low	79 Å²	79	87.9 Å²	87.9	49%	0.485	53%	0.525	S	S	.	.	H	α-helix	trans	-71	-44.6	173.4	50.7	0	0	0	0	112.3	V475 L476 G482 V483	V475-T479 WeakPolarHBondContact O-CB 3.37Å; V475-T479 VanDerWaalsContact O-CG2 3.26Å; V475-T479 WeakPolarHBondContact O-CG2 3.44Å; V475-T479 PolarHBondContact O-N 3.02Å; V475-T479 VanDerWaalsContact O-N 3.11Å; V475-T479 PolarHBondContact O-OG1 3.42Å; L476-T479 WeakPolarHBondContact CA-OG1 3.27Å; L476-T479 PolarHBondContact O-OG1 2.99Å; L476-T479 VanDerWaalsContact O-OG1 3.04Å; T479-G482 PolarHBondContact O-N 2.93Å; T479-V483 VanDerWaalsContact O-CG2 3.29Å; T479-V483 WeakPolarHBondContact O-CG2 3.39Å; T479-V483 PolarHBondContact O-N 3.32Å; T479-V483 VanDerWaalsContact O-N 3.09Å
480	L	64	Low	63.5	Low	117 Å²	117	87.5 Å²	87.5	61%	0.613	52%	0.522	S	S	*	.	H	α-helix	trans	-68.4	-40.8	177.1	-70.4	168.9	0	0	0	112.2	L476 V483 F484	L476-L480 WeakPolarHBondContact O-CB 3.23Å; L476-L480 WeakPolarHBondContact O-CG 3.46Å; L476-L480 PolarHBondContact O-N 3.49Å; L480-V483 PolarHBondContact O-N 3.36Å; L480-F484 PolarHBondContact O-N 3.05Å
481	G	66.2	Low	65.7	Low	35 Å²	35	85.2 Å²	85.2	36%	0.361	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-41.9	174.8	0	0	0	0	0	112.7	G477 F484 V485	G477-G481 PolarHBondContact O-N 3.37Å; G481-F484 PolarHBondContact O-N 3.28Å; G481-V485 VanDerWaalsContact O-CG2 3.31Å; G481-V485 WeakPolarHBondContact O-CG2 3.36Å; G481-V485 PolarHBondContact O-N 3.01Å
482	G	69.6	Low	68	Low	45 Å²	45	88 Å²	88	46%	0.464	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-41.2	176.1	0	0	0	0	0	113.3	S478 T479 G486	S478-G482 PolarHBondContact O-N 3.46Å; T479-G482 PolarHBondContact O-N 2.93Å; G482-G486 PolarHBondContact O-N 3.43Å
483	V	77.3	Confident	70.1	Confident	91 Å²	91	91 Å²	91	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-65.1	-41.4	175.7	172.1	0	0	0	0	111.3	T479 L480 G486 L487	T479-V483 VanDerWaalsContact O-CG2 3.29Å; T479-V483 WeakPolarHBondContact O-CG2 3.39Å; T479-V483 PolarHBondContact O-N 3.32Å; T479-V483 VanDerWaalsContact O-N 3.09Å; L480-V483 PolarHBondContact O-N 3.36Å; V483-G486 PolarHBondContact O-N 2.88Å; V483-L487 HydrophobicContact CG1-CD1 4.02Å; V483-L487 WeakPolarHBondContact O-CB 3.23Å; V483-L487 WeakPolarHBondContact O-CG 3.41Å; V483-L487 PolarHBondContact O-N 3.01Å
484	F	77.4	Confident	71.9	Confident	145 Å²	145	91.3 Å²	91.3	64%	0.636	52%	0.521	S	S	*	.	H	α-helix	trans	-67.5	-41.6	-179.6	-151.9	-92.8	0	0	0	112.3	L480 G481 L487 L488	L480-F484 PolarHBondContact O-N 3.05Å; G481-F484 PolarHBondContact O-N 3.28Å; F484-L487 PolarHBondContact O-N 2.91Å; F484-L488 HydrophobicContact CD1-CD1 3.89Å; F484-L488 HydrophobicContact CE1-CD1 3.96Å; F484-L488 PolarHBondContact O-N 2.62Å
485	V	78.7	Confident	73.8	Confident	91 Å²	91	87 Å²	87	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-65	-42.6	174.1	174.1	0	0	0	0	110.8	G481 L487 L488 V489	G481-V485 VanDerWaalsContact O-CG2 3.31Å; G481-V485 WeakPolarHBondContact O-CG2 3.36Å; G481-V485 PolarHBondContact O-N 3.01Å; V485-L487 PolarHBondContact O-N 3.43Å; V485-L488 PolarHBondContact O-N 2.99Å; V485-V489 WeakPolarHBondContact O-CG2 3.37Å; V485-V489 PolarHBondContact O-N 2.93Å
486	G	78.4	Confident	75.3	Confident	33 Å²	33	87.8 Å²	87.8	34%	0.34	51%	0.508	S	S	.	.	H	α-helix	trans	-59.7	-43.4	175.7	0	0	0	0	0	113	G482 V483 V489 L490	G482-G486 PolarHBondContact O-N 3.43Å; V483-G486 PolarHBondContact O-N 2.88Å; G486-V489 PolarHBondContact O-N 2.72Å; G486-L490 WeakPolarHBondContact O-CG 3.36Å; G486-L490 PolarHBondContact O-N 3.39Å
487	L	84.9	Confident	76.9	Confident	104 Å²	104	89 Å²	89	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-42.1	175.7	-79.3	166.5	0	0	0	112.2	V483 F484 V485 V489 L490 L491	V483-L487 HydrophobicContact CG1-CD1 4.02Å; V483-L487 WeakPolarHBondContact O-CB 3.23Å; V483-L487 WeakPolarHBondContact O-CG 3.41Å; V483-L487 PolarHBondContact O-N 3.01Å; F484-L487 PolarHBondContact O-N 2.91Å; V485-L487 PolarHBondContact O-N 3.43Å; L487-V489 PolarHBondContact O-N 2.82Å; L487-L490 PolarHBondContact O-N 3.33Å; L487-L491 WeakPolarHBondContact O-CB 3.39Å; L487-L491 PolarHBondContact O-N 2.8Å
488	L	83.7	Confident	78.1	Confident	91 Å²	91	90.6 Å²	90.6	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176	-99.4	159.3	0	0	0	112.5	F484 V485 L491 L492	F484-L488 HydrophobicContact CD1-CD1 3.89Å; F484-L488 HydrophobicContact CE1-CD1 3.96Å; F484-L488 PolarHBondContact O-N 2.62Å; V485-L488 PolarHBondContact O-N 2.99Å; L488-L491 PolarHBondContact O-N 3.14Å; L488-L492 WeakPolarHBondContact O-CB 3.38Å; L488-L492 PolarHBondContact O-N 3.28Å
489	V	84.4	Confident	78.9	Confident	74 Å²	74	95 Å²	95	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-43.5	176.5	172.5	0	0	0	0	110.9	V485 G486 L487 L491 L492 I493	V485-V489 WeakPolarHBondContact O-CG2 3.37Å; V485-V489 PolarHBondContact O-N 2.93Å; G486-V489 PolarHBondContact O-N 2.72Å; L487-V489 PolarHBondContact O-N 2.82Å; V489-L491 VanDerWaalsContact C-N 3.32Å; V489-L491 PolarHBondContact O-N 3.28Å; V489-L492 PolarHBondContact O-N 2.91Å; V489-I493 HydrophobicContact CG1-CD1 3.85Å; V489-I493 HydrophobicContact CG1-CG1 4.44Å; V489-I493 VanDerWaalsContact O-CG1 3.29Å; V489-I493 WeakPolarHBondContact O-CG1 3.26Å; V489-I493 PolarHBondContact O-N 3.11Å
490	L	85.6	Confident	79.5	Confident	113 Å²	113	96.7 Å²	96.7	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-62	-40	175.6	-79.7	166	0	0	0	112.1	G486 L487 I493 F494	G486-L490 WeakPolarHBondContact O-CG 3.36Å; G486-L490 PolarHBondContact O-N 3.39Å; L487-L490 PolarHBondContact O-N 3.33Å; L490-I493 PolarHBondContact O-N 3.32Å; L490-F494 WeakPolarHBondContact O-CB 3.42Å; L490-F494 PolarHBondContact O-N 2.87Å
491	L	87.6	Confident	79.8	Confident	111 Å²	111	99.2 Å²	99.2	58%	0.581	52%	0.515	S	S	*	.	H	α-helix	trans	-66.2	-41.5	177.2	-137	156.2	0	0	0	111.1	L487 L488 V489 F494 V495	L487-L491 WeakPolarHBondContact O-CB 3.39Å; L487-L491 PolarHBondContact O-N 2.8Å; L488-L491 PolarHBondContact O-N 3.14Å; V489-L491 VanDerWaalsContact C-N 3.32Å; V489-L491 PolarHBondContact O-N 3.28Å; L491-F494 PolarHBondContact O-N 3.32Å; L491-V495 HydrophobicContact CD2-CG2 4.19Å; L491-V495 WeakPolarHBondContact O-CB 3.49Å; L491-V495 VanDerWaalsContact O-CG2 3.28Å; L491-V495 WeakPolarHBondContact O-CG2 3.41Å; L491-V495 PolarHBondContact O-N 2.87Å
492	L	85.6	Confident	79.7	Confident	104 Å²	104	106.4 Å²	106.4	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-61.9	-45.9	172.9	-85.9	162.4	0	0	0	112.1	L488 V489 F494 V495 L496	L488-L492 WeakPolarHBondContact O-CB 3.38Å; L488-L492 PolarHBondContact O-N 3.28Å; V489-L492 PolarHBondContact O-N 2.91Å; L492-F494 VanDerWaalsContact C-N 3.31Å; L492-F494 PolarHBondContact O-N 2.88Å; L492-V495 PolarHBondContact O-N 3.45Å; L492-L496 VanDerWaalsContact O-CG 3.26Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 PolarHBondContact O-N 3.33Å; L492-L496 WeakPolarHBondContact O-CG 3.28Å
493	I	85.8	Confident	79.2	Confident	99 Å²	99	109.5 Å²	109.5	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.1	-68.8	167.9	0	0	0	110.3	V489 L490 L496 Y497	V489-I493 HydrophobicContact CG1-CD1 3.85Å; V489-I493 HydrophobicContact CG1-CG1 4.44Å; V489-I493 VanDerWaalsContact O-CG1 3.29Å; V489-I493 WeakPolarHBondContact O-CG1 3.26Å; V489-I493 PolarHBondContact O-N 3.11Å; L490-I493 PolarHBondContact O-N 3.32Å; I493-L496 PolarHBondContact O-N 3.38Å; I493-Y497 VanDerWaalsContact O-CB 3.31Å; I493-Y497 WeakPolarHBondContact O-CB 3.39Å; I493-Y497 PolarHBondContact O-N 2.91Å
494	F	84.5	Confident	78.2	Confident	120 Å²	120	115 Å²	115	53%	0.526	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-42.6	177.8	-174.6	-107.4	0	0	0	112.1	L490 L491 L492 Y497 L498	L490-F494 WeakPolarHBondContact O-CB 3.42Å; L490-F494 PolarHBondContact O-N 2.87Å; L491-F494 PolarHBondContact O-N 3.32Å; L492-F494 VanDerWaalsContact C-N 3.31Å; L492-F494 PolarHBondContact O-N 2.88Å; F494-Y497 PolarHBondContact O-N 3.48Å; F494-L498 HydrophobicContact CZ-CD1 3.9Å; F494-L498 PolarHBondContact O-N 3.42Å; F494-L498 WeakPolarHBondContact O-CG 3.43Å; F494-L498 HydrophobicContact CZ-CG 4.22Å; F494-L498 HydrophobicContact CZ-CD2 4.4Å; F494-L498 HydrophobicContact CE1-CG 4.14Å; F494-L498 VanDerWaalsContact CE1-CD1 3.43Å; F494-L498 HydrophobicContact CE1-CD1 3.43Å; F494-L498 HydrophobicContact CD1-CG 4.43Å; F494-L498 HydrophobicContact CD1-CD1 3.86Å
495	V	84.3	Confident	77	Confident	73 Å²	73	110.8 Å²	110.8	44%	0.442	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-43.3	174.2	169.7	0	0	0	0	111	L491 L492 L498 R499	L491-V495 HydrophobicContact CD2-CG2 4.19Å; L491-V495 WeakPolarHBondContact O-CB 3.49Å; L491-V495 VanDerWaalsContact O-CG2 3.28Å; L491-V495 WeakPolarHBondContact O-CG2 3.41Å; L491-V495 PolarHBondContact O-N 2.87Å; L492-V495 PolarHBondContact O-N 3.45Å; V495-L498 PolarHBondContact O-N 3Å; V495-R499 VanDerWaalsContact O-CB 3.31Å; V495-R499 WeakPolarHBondContact O-CB 3.47Å; V495-R499 PolarHBondContact O-N 3.41Å
496	L	82.7	Confident	75.8	Confident	103 Å²	103	115.6 Å²	115.6	54%	0.539	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-40.3	176.1	-71.8	173.2	0	0	0	111.8	L492 I493 R499 Q500	L492-L496 VanDerWaalsContact O-CG 3.26Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 PolarHBondContact O-N 3.33Å; L492-L496 WeakPolarHBondContact O-CG 3.28Å; I493-L496 PolarHBondContact O-N 3.38Å; L496-R499 PolarHBondContact O-N 2.92Å; L496-Q500 WeakPolarHBondContact O-CB 3.31Å; L496-Q500 PolarHBondContact O-N 2.88Å
497	Y	81.3	Confident	74.2	Confident	133 Å²	133	122.9 Å²	122.9	52%	0.522	58%	0.584	S	S	.	*	H	α-helix	trans	-63.1	-45.7	174.8	176.3	-103.4	0	0	0	111.9	I493 F494 R499 Q500 R501	I493-Y497 VanDerWaalsContact O-CB 3.31Å; I493-Y497 WeakPolarHBondContact O-CB 3.39Å; I493-Y497 PolarHBondContact O-N 2.91Å; F494-Y497 PolarHBondContact O-N 3.48Å; Y497-R499 VanDerWaalsContact C-N 3.32Å; Y497-R499 PolarHBondContact O-N 2.92Å; Y497-Q500 PolarHBondContact O-N 3.41Å; Y497-R501 WeakPolarHBondContact O-CB 3.42Å; Y497-R501 PolarHBondContact O-N 2.92Å
498	L	79	Confident	72.3	Confident	79 Å²	79	123.1 Å²	123.1	41%	0.414	59%	0.592	S	S	.	*	H	α-helix	trans	-62.4	-39.1	174.1	-72.9	177.6	0	0	0	111.8	F494 V495 R501 R502	F494-L498 HydrophobicContact CZ-CD1 3.9Å; F494-L498 PolarHBondContact O-N 3.42Å; F494-L498 WeakPolarHBondContact O-CG 3.43Å; F494-L498 HydrophobicContact CZ-CG 4.22Å; F494-L498 HydrophobicContact CZ-CD2 4.4Å; F494-L498 HydrophobicContact CE1-CG 4.14Å; F494-L498 VanDerWaalsContact CE1-CD1 3.43Å; F494-L498 HydrophobicContact CE1-CD1 3.43Å; F494-L498 HydrophobicContact CD1-CG 4.43Å; F494-L498 HydrophobicContact CD1-CD1 3.86Å; V495-L498 PolarHBondContact O-N 3Å; L498-R501 PolarHBondContact O-N 3.35Å; L498-R502 WeakPolarHBondContact O-CB 3.37Å; L498-R502 PolarHBondContact O-N 2.9Å
499	R	75.3	Confident	70.6	Confident	154 Å²	154	127.6 Å²	127.6	58%	0.581	62%	0.615	S	S	*	*	H	α-helix	trans	-67.3	-40	177	-158.4	176.9	-173.8	-176	2	111.6	V495 L496 Y497 R502 N503	V495-R499 VanDerWaalsContact O-CB 3.31Å; V495-R499 WeakPolarHBondContact O-CB 3.47Å; V495-R499 PolarHBondContact O-N 3.41Å; L496-R499 PolarHBondContact O-N 2.92Å; Y497-R499 VanDerWaalsContact C-N 3.32Å; Y497-R499 PolarHBondContact O-N 2.92Å; R499-R502 PolarHBondContact O-N 2.82Å; R499-N503 WeakPolarHBondContact O-CB 3.32Å; R499-N503 PolarHBondContact O-N 3.45Å
500	Q	73.3	Confident	68.7	Low	115 Å²	115	131 Å²	131	54%	0.537	63%	0.629	S	S	.	*	H	α-helix	trans	-67.6	-39.3	175.4	-163.2	178.8	16.6	0	0	111.4	L496 Y497 N503 R504	L496-Q500 WeakPolarHBondContact O-CB 3.31Å; L496-Q500 PolarHBondContact O-N 2.88Å; Y497-Q500 PolarHBondContact O-N 3.41Å; Q500-N503 PolarHBondContact O-N 3.32Å; Q500-R504 WeakPolarHBondContact O-CG 3.41Å; Q500-R504 PolarHBondContact O-N 3.39Å
501	R	71.3	Confident	66.3	Low	171 Å²	171	136.3 Å²	136.3	65%	0.645	64%	0.641	S	S	*	*	H	α-helix	trans	-64.9	-38.3	173.6	-168.2	178.5	179.6	-175.8	0.9	111.9	Y497 L498 R504	Y497-R501 WeakPolarHBondContact O-CB 3.42Å; Y497-R501 PolarHBondContact O-N 2.92Å; L498-R501 PolarHBondContact O-N 3.35Å; R501-R504 PolarHBondContact O-N 2.89Å
502	R	64.1	Low	64	Low	185 Å²	185	135.4 Å²	135.4	70%	0.698	65%	0.65	S	S	*	*	H	α-helix	trans	-67.4	-37.9	174.4	-161.6	177.9	79.1	173.3	7.6	112.1	L498 R499 R504 G505	L498-R502 WeakPolarHBondContact O-CB 3.37Å; L498-R502 PolarHBondContact O-N 2.9Å; R499-R502 PolarHBondContact O-N 2.82Å; R502-R504 VanDerWaalsContact C-N 3.32Å; R502-R504 PolarHBondContact O-N 3.32Å; R502-G505 PolarHBondContact O-N 3.38Å
503	N	58.4	Low	61.5	Low	110 Å²	110	137.7 Å²	137.7	59%	0.588	66%	0.663	S	S	*	*	H	α-helix	trans	-76	-16.1	177.4	-74.7	4.2	0	0	0	113.7	R499 Q500 G505	R499-N503 WeakPolarHBondContact O-CB 3.32Å; R499-N503 PolarHBondContact O-N 3.45Å; Q500-N503 PolarHBondContact O-N 3.32Å; N503-G505 PolarHBondContact O-N 2.87Å
504	R	56.9	Low	59.3	Low	206 Å²	206	142.5 Å²	142.5	78%	0.777	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-4.3	167.9	-77.3	-176.3	179.7	-179.1	1.4	113.7	Q500 R501 R502	Q500-R504 WeakPolarHBondContact O-CG 3.41Å; Q500-R504 PolarHBondContact O-N 3.39Å; R501-R504 PolarHBondContact O-N 2.89Å; R502-R504 VanDerWaalsContact C-N 3.32Å; R502-R504 PolarHBondContact O-N 3.32Å
505	G	52.1	Low	56.9	Low	57 Å²	57	143.6 Å²	143.6	59%	0.588	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-1.5	178.6	0	0	0	0	0	115.5	R502 N503	R502-G505 PolarHBondContact O-N 3.38Å; N503-G505 PolarHBondContact O-N 2.87Å
506	F	51.7	Low	54.5	Low	192 Å²	192	148.3 Å²	148.3	84%	0.842	72%	0.72	S	S	*	*			trans	-138.9	88.5	178.6	-84.4	-86.2	0	0	0	110.4
507	E	45	Very low	52.1	Low	187 Å²	187	155 Å²	155	87%	0.874	74%	0.738	S	S	*	*			trans	-99.3	120.7	163.7	-150.6	164.4	-154.4	0	0	107.2	L509	E507-L509 PolarHBondContact O-N 3.45Å
508	P	46.2	Very low	49.8	Very low	109 Å²	109	158.6 Å²	158.6	71%	0.708	76%	0.756	S	S	*	*			trans	-71.2	126.7	-178.8	25.9	-29.6	0	0	0	110.5	I510	P508-I510 PolarHBondContact O-N 3.43Å
509	L	47.4	Very low	47.6	Very low	184 Å²	184	165.1 Å²	165.1	96%	0.963	78%	0.777	S	S	*	*			trans	-53.2	96.1	174.1	-79.6	155.5	0	0	0	111.5	E507	E507-L509 PolarHBondContact O-N 3.45Å
510	I	45.5	Very low	45.7	Very low	145 Å²	145	163.9 Å²	163.9	74%	0.744	79%	0.786	S	S	*	*			trans	-134.9	107.6	164.6	-57.4	-176.8	0	0	0	108.7	P508	P508-I510 PolarHBondContact O-N 3.43Å
511	R	34.7	Very low	43.8	Very low	225 Å²	225	166.3 Å²	166.3	85%	0.849	80%	0.798	S	S	*	*			trans	133.5	79.8	156.6	-75.2	-180	-169.9	-176.1	2.6	112.4
512	A	38	Very low	42.1	Very low	92 Å²	92	165.8 Å²	165.8	76%	0.76	80%	0.803	S	S	*	*			trans	-86.2	111.5	147.6	0	0	0	0	0	106.8
513	D	34.3	Very low	40.7	Very low	153 Å²	153	165.3 Å²	165.3	82%	0.818	84%	0.839	S	S	*	*			trans	-76.5	126.8	174	-92.3	-32.4	0	0	0	110
514	F	38.6	Very low	39.8	Very low	200 Å²	200	168.1 Å²	168.1	88%	0.877	85%	0.851	S	S	*	*			trans	-79.6	125.1	173.6	-79.3	-93.3	0	0	0	110.2	N516	F514-N516 PolarHBondContact O-N 3.24Å
515	T	34	Very low	38.9	Very low	143 Å²	143	166.1 Å²	166.1	88%	0.877	86%	0.855	S	S	*	*			trans	-79.5	112.6	171.6	37.2	0	0	0	0	110.7	R517	T515-R517 PolarHBondContact O-N 3.5Å
516	N	35.2	Very low	38.2	Very low	171 Å²	171	172.2 Å²	172.2	91%	0.914	87%	0.87	S	S	*	*			trans	-71.8	113.5	169.2	-96.6	-37.6	0	0	0	110.3	F514	F514-N516 PolarHBondContact O-N 3.24Å
517	R	32.5	Very low	37.4	Very low	245 Å²	245	171 Å²	171	93%	0.925	87%	0.871	S	S	*	*			trans	-106.4	120.5	161.4	-123.6	-179.9	178.4	179.5	-1.8	109	T515	T515-R517 PolarHBondContact O-N 3.5Å
518	K	31.8	Very low	36.9	Very low	208 Å²	208	170 Å²	170	90%	0.904	87%	0.871	S	S	*	*			trans	-70.9	152.3	176.9	-105	179.1	175.5	-179.8	0	111.7
519	Y	33.8	Very low	36.3	Very low	216 Å²	216	174.1 Å²	174.1	85%	0.847	88%	0.882	S	S	*	*			trans	-56	171.4	179	-90.8	-99.9	0	0	0	117.9
520	T	34.8	Very low	35.5	Very low	127 Å²	127	173.4 Å²	173.4	78%	0.779	88%	0.876	S	S	*	*			trans	82.1	122.5	165.4	70.6	0	0	0	0	114.9
521	E	33.9	Very low	34.8	Very low	166 Å²	166	175.5 Å²	175.5	78%	0.776	89%	0.887	S	S	*	*			cis	-147.4	167.1	44.1	-79.3	168.4	171.8	0	0	109.7
522	E	34.9	Very low	34.8	Very low	161 Å²	161	171.4 Å²	171.4	75%	0.752	89%	0.89	S	S	*	*			cis	-168.5	142.1	3.8	-110.9	170.3	177.1	0	0	104.6
523	A	35.5	Very low	34.5	Very low	175 Å²	175	178.6 Å²	178.6	100%	1.446	90%	0.902	S	S	*	*				59.2	0	117.6	0	0	0	0	0	116.6

Retrieved 523 of 523 residues in 1217.2 ms (Link to these results)

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