A0A087YP66_POEFO Loading...

Cerebral endothelial cell adhesion molecule

AlphaFold DB , UniProt , Accession A0A087YP66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 586 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	L	36.4	Very low	45.3	Very low	219 Å²	219	140.8 Å²	140.8	100%	1.147	82%	0.819	S	S	*	*				0	72.1	0	-74.8	152.5	0	0	0	106.8
2	V	39.1	Very low	45.9	Very low	133 Å²	133	139.3 Å²	139.3	81%	0.806	82%	0.82	S	S	*	*				46.1	98.9	95.5	-171.1	0	0	0	0	112.3
3	V	41.4	Very low	46.9	Very low	146 Å²	146	144.6 Å²	144.6	89%	0.885	82%	0.82	S	S	*	*			trans	-128.1	94.1	152.6	-179.9	0	0	0	0	105.6
4	A	42.6	Very low	48.1	Very low	82 Å²	82	148 Å²	148	68%	0.678	82%	0.821	S	S	*	*			trans	-86.1	113.3	171.3	0	0	0	0	0	107.6	L6	A4-L6 PolarHBondContact O-N 3.31Å
5	A	45.9	Very low	48.9	Very low	93 Å²	93	148.4 Å²	148.4	77%	0.769	82%	0.819	S	S	*	*			trans	-77.5	108.3	168.5	0	0	0	0	0	108.3	T7	A5-T7 PolarHBondContact O-N 2.83Å
6	L	46.2	Very low	50.1	Low	173 Å²	173	150.4 Å²	150.4	91%	0.906	82%	0.821	S	S	*	*			trans	-73.4	98.1	169.9	-80.9	156.7	0	0	0	108.7	A4 S8	A4-L6 PolarHBondContact O-N 3.31Å; L6-S8 PolarHBondContact O-N 2.83Å
7	T	47.3	Very low	51.2	Low	113 Å²	113	149.8 Å²	149.8	69%	0.693	81%	0.811	S	S	*	*			trans	-82.7	97.4	159.9	49.9	0	0	0	0	107.9	A5 W9	A5-T7 PolarHBondContact O-N 2.83Å; T7-W9 PolarHBondContact O-N 2.99Å
8	S	46.3	Very low	52.1	Low	114 Å²	114	152.2 Å²	152.2	80%	0.797	81%	0.812	S	S	*	*			trans	-70.3	107.5	166.3	67.1	0	0	0	0	108	L6 A10	L6-S8 PolarHBondContact O-N 2.83Å; S8-A10 PolarHBondContact O-N 3.4Å; S8-A10 VanDerWaalsContact O-N 3.12Å
9	W	48.6	Very low	53	Low	227 Å²	227	152.9 Å²	152.9	86%	0.86	81%	0.808	S	S	*	*			trans	-70.1	103.5	162.5	-68.3	77.5	0	0	0	106.1	T7 E11	T7-W9 PolarHBondContact O-N 2.99Å; W9-E11 VanDerWaalsContact C-N 3.33Å; W9-E11 PolarHBondContact O-N 3.1Å
10	A	50.2	Low	54	Low	85 Å²	85	150.4 Å²	150.4	70%	0.702	80%	0.801	S	S	*	*			trans	-68.1	100.8	163.7	0	0	0	0	0	106.2	S8 C12	S8-A10 PolarHBondContact O-N 3.4Å; S8-A10 VanDerWaalsContact O-N 3.12Å; A10-C12 PolarHBondContact O-N 2.64Å
11	E	53.9	Low	55.2	Low	164 Å²	164	152.4 Å²	152.4	77%	0.766	81%	0.806	S	S	*	*			trans	-59.5	107.7	162.5	-74.8	179.9	159.4	0	0	106.7	W9 Y13	W9-E11 VanDerWaalsContact C-N 3.33Å; W9-E11 PolarHBondContact O-N 3.1Å; E11-Y13 PolarHBondContact O-N 2.93Å
12	C	52.4	Low	57.2	Low	123 Å²	123	150.9 Å²	150.9	83%	0.831	79%	0.793	S	S	*	*			trans	-56	109.6	170.8	-77.7	0	0	0	0	108.2	A10 F14	A10-C12 PolarHBondContact O-N 2.64Å; C12-F14 PolarHBondContact O-N 3.18Å
13	Y	59.5	Low	59	Low	208 Å²	208	149.4 Å²	149.4	82%	0.816	79%	0.788	S	S	*	*			trans	-80	9.5	-171.8	-128.3	-93.2	0	0	0	114.1	E11	E11-Y13 PolarHBondContact O-N 2.93Å
14	F	63.1	Low	60.9	Low	192 Å²	192	145.2 Å²	145.2	84%	0.842	77%	0.774	S	S	*	*			trans	-107.5	114.1	-179.4	-65.4	-73.7	0	0	0	109.5	C12 E16	C12-F14 PolarHBondContact O-N 3.18Å; F14-E16 PolarHBondContact O-N 2.82Å
15	I	61.3	Low	63.1	Low	154 Å²	154	150.5 Å²	150.5	79%	0.79	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-55.1	125.6	165.9	-63.7	163.4	0	0	0	106.7	E17	I15-E17 PolarHBondContact O-N 3.22Å
16	E	67.1	Low	65.3	Low	180 Å²	180	150.9 Å²	150.9	84%	0.841	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-49	127.6	169.4	-80.8	179.6	159.1	0	0	108.7	F14 K18	F14-E16 PolarHBondContact O-N 2.82Å; E16-K18 PolarHBondContact O-N 3.34Å
17	E	68.9	Low	67.7	Low	141 Å²	141	144.5 Å²	144.5	66%	0.659	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-53.1	119.4	-179.6	-173.7	170.2	-164.6	0	0	108.9	I15 F19	I15-E17 PolarHBondContact O-N 3.22Å; E17-F19 HydrophobicContact CB-CZ 4.49Å; E17-F19 VanDerWaalsContact O-CD2 3.28Å; E17-F19 WeakPolarHBondContact O-CD2 3.17Å; E17-F19 PolarHBondContact O-N 2.63Å
18	K	68.4	Low	70.1	Confident	192 Å²	192	140.5 Å²	140.5	84%	0.835	72%	0.718	S	S	*	*			trans	-70.5	88.1	169	-73.6	-176.2	177.9	-179.3	0	106.5	E16 P20	E16-K18 PolarHBondContact O-N 3.34Å; K18-P20 WeakPolarHBondContact O-CD 3.3Å
19	F	67.9	Low	72.6	Confident	166 Å²	166	136.8 Å²	136.8	73%	0.728	69%	0.691	S	S	*	*			trans	-53.4	113.7	178.8	-66.5	-80.5	0	0	0	109.2	E17	E17-F19 HydrophobicContact CB-CZ 4.49Å; E17-F19 VanDerWaalsContact O-CD2 3.28Å; E17-F19 WeakPolarHBondContact O-CD2 3.17Å; E17-F19 PolarHBondContact O-N 2.63Å
20	P	74.1	Confident	75	Confident	103 Å²	103	126 Å²	126	67%	0.669	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-61	145.2	158.8	27.9	-30.6	0	0	0	107.5	K18 E22	K18-P20 WeakPolarHBondContact O-CD 3.3Å; P20-E22 PolarHBondContact O-N 3.06Å
21	E	78.8	Confident	77.3	Confident	193 Å²	193	122 Å²	122	90%	0.902	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-51.9	128.1	174.6	-70.3	-178.6	167.8	0	0	109.5	S23	E21-S23 PolarHBondContact O-N 2.92Å
22	E	77.7	Confident	79.4	Confident	186 Å²	186	114.2 Å²	114.2	87%	0.869	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.6	175.6	-70.7	-173.5	169.4	0	0	108.9	P20	P20-E22 PolarHBondContact O-N 3.06Å
23	S	77.4	Confident	81.6	Confident	103 Å²	103	108.5 Å²	108.5	72%	0.72	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64.8	143.7	174.4	62.7	0	0	0	0	109.7	E21	E21-S23 PolarHBondContact O-N 2.92Å
24	G	82.3	Confident	83.4	Confident	57 Å²	57	98.6 Å²	98.6	59%	0.588	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-55.2	144.6	174	0	0	0	0	0	111.4	Q26	G24-Q26 PolarHBondContact O-N 3.43Å; G24-Q26 VanDerWaalsContact O-N 3.13Å; G24-Q26 PolarHBondContact O-NE2 2.95Å
25	M	88.2	Confident	85.1	Confident	193 Å²	193	90.9 Å²	90.9	95%	0.951	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-55.2	119.5	179.8	-171.6	176.4	-70.4	0	0	110.3
26	Q	92.2	Very high	86.8	Confident	102 Å²	102	83.6 Å²	83.6	48%	0.477	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-76.3	144.7	-179.2	-63.6	-61.3	-52.6	0	0	110.5	G24	G24-Q26 PolarHBondContact O-N 3.43Å; G24-Q26 VanDerWaalsContact O-N 3.13Å; G24-Q26 PolarHBondContact O-NE2 2.95Å
27	P	95.6	Very high	88.2	Confident	39 Å²	39	76.3 Å²	76.3	25%	0.253	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-65.8	155.8	176.1	27	-31.7	0	0	0	110.8	Y55 P56 R59	P27-Y55 HydrophobicContact CB-CE2 4.26Å; P27-P56 HydrophobicContact CG-CG 3.67Å; P27-R59 HydrophobicContact CG-CG 4.3Å; P27-R59 PolarHBondContact O-NE 3.42Å; P27-R59 PolarHBondContact O-NH2 3.47Å
28	P	97.8	Very high	89.5	Confident	29 Å²	29	69.9 Å²	69.9	19%	0.188	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-52.8	152.7	-178.6	-26.9	34.8	0	0	0	114.1	Y55 D136 Y137 I157	P28-Y55 WeakPolarHBondContact CD-OH 3.43Å; P28-Y55 WeakPolarHBondContact O-CE1 3.48Å; P28-Y55 PolarHBondContact O-OH 3.15Å; P28-D136 WeakPolarHBondContact CA-OD2 3.43Å; P28-D136 HydrophobicContact CB-CB 3.69Å; P28-Y137 HydrophobicContact CB-CD2 3.71Å; P28-Y137 HydrophobicContact CB-CE2 3.58Å; P28-Y137 HydrophobicContact CG-CD2 4.44Å; P28-Y137 HydrophobicContact CG-CE2 3.83Å; P28-I157 HydrophobicContact CG-CG2 4.42Å
29	T	98.5	Very high	90.8	Very high	36 Å²	36	60.9 Å²	60.9	22%	0.221	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-76.8	140.4	172.4	54.6	0	0	0	0	111.1	R59 A135 D136 Y137	T29-R59 WeakPolarHBondContact CA-O 3.42Å; T29-A135 WeakPolarHBondContact OG1-CA 3.36Å; T29-D136 PolarHBondContact N-OD2 3.27Å; T29-D136 WeakPolarHBondContact O-CB 3.28Å; T29-D136 PolarHBondContact O-N 3.08Å; T29-D136 VanDerWaalsContact O-N 3.12Å; T29-D136 PolarHBondContact OG1-N 3.39Å; T29-D136 PolarHBondContact OG1-OD2 2.84Å; T29-Y137 PolarHBondContact O-N 3.37Å
30	V	98.8	Very high	92.2	Very high	1 Å²	1	54 Å²	54	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.7	-176.8	-176.6	0	0	0	0	110.2	I32 Y55 R59 I60 S61 Y137 L153 I157	V30-I32 HydrophobicContact CG1-CG1 4.4Å; V30-Y55 HydrophobicContact CG2-CE1 3.72Å; V30-R59 PolarHBondContact N-O 2.67Å; V30-I60 HydrophobicContact CB-CG1 4.35Å; V30-I60 CarbonylContact O-C 3.56Å; V30-I60 VanDerWaalsContact O-CA 3.27Å; V30-I60 WeakPolarHBondContact O-CA 3.29Å; V30-S61 PolarHBondContact O-N 2.99Å; V30-Y137 CarbonylContact C-O 3.23Å; V30-Y137 WeakPolarHBondContact CA-O 3.14Å; V30-L153 HydrophobicContact CB-CD2 4.32Å; V30-L153 HydrophobicContact CG1-CD1 4.07Å; V30-L153 HydrophobicContact CG1-CD2 4.1Å; V30-L153 HydrophobicContact CG2-CD1 4.28Å; V30-L153 HydrophobicContact CG2-CD2 4.02Å; V30-L153 HydrophobicContact CG2-CG 4.48Å; V30-I157 HydrophobicContact CG2-CD1 4.22Å
31	V	98.9	Very high	93.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.1	164.8	171.1	0	0	0	0	109.1	S61 W63 F129 A130 A135 Y137 I138 L139	V31-S61 CarbonylContact C-O 3.59Å; V31-S61 VanDerWaalsContact CA-O 3.26Å; V31-S61 WeakPolarHBondContact CA-O 3.13Å; V31-W63 HydrophobicContact CG1-CB 4.22Å; V31-F129 HydrophobicContact CG1-CD1 4.17Å; V31-F129 HydrophobicContact CG1-CE1 4.36Å; V31-F129 HydrophobicContact CG2-CD1 4.38Å; V31-F129 HydrophobicContact CG2-CE1 4.22Å; V31-A130 HydrophobicContact CB-CB 3.92Å; V31-A130 HydrophobicContact CG1-CB 4.21Å; V31-A130 HydrophobicContact CG2-CB 3.78Å; V31-A135 HydrophobicContact CB-CB 4.42Å; V31-A135 HydrophobicContact CG2-CB 3.58Å; V31-Y137 PolarHBondContact N-O 3.32Å; V31-I138 HydrophobicContact CB-CB 4.27Å; V31-I138 HydrophobicContact CB-CD1 4.47Å; V31-I138 HydrophobicContact CB-CG1 4.11Å; V31-I138 HydrophobicContact CG1-CD1 4.03Å; V31-I138 HydrophobicContact CG1-CG1 4.04Å; V31-I138 CarbonylContact O-C 3.5Å; V31-I138 VanDerWaalsContact O-CA 3.25Å; V31-I138 WeakPolarHBondContact O-CA 3.35Å; V31-L139 PolarHBondContact O-N 3.46Å
32	I	98.8	Very high	94	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.9	169.3	-58.9	-178.8	0	0	0	108	V30 I34 L50 L53 I60 S61 W63 L139	V30-I32 HydrophobicContact CG1-CG1 4.4Å; I32-I34 HydrophobicContact CG2-CG1 4.18Å; I32-L50 HydrophobicContact CD1-CD2 4.25Å; I32-L50 HydrophobicContact CG2-CD1 4.1Å; I32-L50 HydrophobicContact CG2-CD2 4.39Å; I32-L53 HydrophobicContact CD1-CD1 4.23Å; I32-I60 HydrophobicContact CD1-CD1 4.34Å; I32-I60 HydrophobicContact CD1-CG2 3.73Å; I32-I60 HydrophobicContact CG1-CG2 3.85Å; I32-S61 PolarHBondContact N-O 2.9Å; I32-W63 PolarHBondContact O-N 2.99Å; I32-L139 HydrophobicContact CD1-CD2 4.44Å; I32-L139 HydrophobicContact CG1-CB 4.36Å; I32-L139 HydrophobicContact CG1-CD2 4.31Å
33	A	98.6	Very high	95	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.2	176.8	0	0	0	0	0	110.5	W63 A126 I138 L139 Y140	A33-W63 CarbonylContact C-O 3.57Å; A33-W63 WeakPolarHBondContact CA-O 3.41Å; A33-A126 HydrophobicContact CB-CB 3.78Å; A33-I138 HydrophobicContact CB-CD1 4.31Å; A33-L139 PolarHBondContact N-O 2.85Å; A33-Y140 HydrophobicContact CB-CD1 3.69Å; A33-Y140 HydrophobicContact CB-CE1 3.75Å; A33-Y140 HydrophobicContact CB-CG 4.41Å
34	I	98.3	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.3	176.9	-51.3	178.6	0	0	0	107.8	I32 Y46 L47 L50 V62 W63 A64 A65 L77 W80 T143	I32-I34 HydrophobicContact CG2-CG1 4.18Å; I34-Y46 HydrophobicContact CD1-CE1 4.13Å; I34-Y46 HydrophobicContact CG1-CE1 4.07Å; I34-Y46 HydrophobicContact CG2-CE1 3.99Å; I34-L47 HydrophobicContact CD1-CD2 4.29Å; I34-L50 HydrophobicContact CD1-CD1 3.82Å; I34-L50 HydrophobicContact CG1-CD1 4.33Å; I34-V62 HydrophobicContact CD1-CG1 3.66Å; I34-V62 HydrophobicContact CG1-CG1 4.19Å; I34-W63 PolarHBondContact N-O 2.72Å; I34-A64 HydrophobicContact CB-CB 4.23Å; I34-A64 CarbonylContact O-C 3.31Å; I34-A64 WeakPolarHBondContact O-CA 3.46Å; I34-A65 PolarHBondContact O-N 3.45Å; I34-L77 HydrophobicContact CG2-CD1 4.35Å; I34-L77 HydrophobicContact CG2-CD2 4.19Å; I34-W80 HydrophobicContact CD1-CZ3 4.15Å; I34-T143 HydrophobicContact CG2-CG2 3.96Å
35	I	97.8	Very high	96.7	Very high	31 Å²	31	25.3 Å²	25.3	16%	0.159	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108	174.4	-63.7	166.8	0	0	0	106.9	W63 A65 L122 K123	I35-W63 HydrophobicContact CD1-CZ3 4.39Å; I35-W63 HydrophobicContact CG1-CZ3 3.92Å; I35-A65 WeakPolarHBondContact CA-O 3.37Å; I35-L122 HydrophobicContact CD1-CB 3.81Å; I35-L122 HydrophobicContact CG1-CB 4.25Å; I35-L122 HydrophobicContact CG2-CD1 3.71Å; I35-K123 HydrophobicContact CD1-CB 4.44Å; I35-K123 HydrophobicContact CD1-CG 3.58Å
36	A	97.1	Very high	97.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.9	-170.3	0	0	0	0	0	111.5	A65 T66 D67 T73 L77 T143	A36-A65 PolarHBondContact N-O 3.41Å; A36-T66 VanDerWaalsContact O-CA 3.23Å; A36-T66 WeakPolarHBondContact O-CA 3.31Å; A36-T66 WeakPolarHBondContact O-CB 3.25Å; A36-T66 PolarHBondContact O-OG1 3.19Å; A36-D67 PolarHBondContact O-N 3.11Å; A36-T73 HydrophobicContact CB-CG2 3.6Å; A36-L77 HydrophobicContact CB-CD2 4.05Å; A36-T143 HydrophobicContact CB-CG2 3.85Å
37	R	95.7	Very high	97.4	Very high	28 Å²	28	11.3 Å²	11.3	11%	0.106	7%	0.066	C	C	.	.	S	Bend	trans	-136.2	123.5	169.8	176.4	178.5	-176.6	-155	0.8	109.7	A39 D67 H68 N69 E105 R115	R37-A39 PolarHBondContact O-N 3.16Å; R37-D67 WeakPolarHBondContact CG-O 3.22Å; R37-H68 HydrophobicContact CG-CB 4.34Å; R37-H68 WeakPolarHBondContact CG-O 3.45Å; R37-H68 PolarHBondContact NE-O 3.34Å; R37-N69 VanDerWaalsContact CA-OD1 3.25Å; R37-N69 WeakPolarHBondContact CA-OD1 3.04Å; R37-E105 IonicContact CZ-OE2 2.97Å; R37-E105 IonicContact NH1-OE2 2.63Å; R37-E105 PolarHBondContact NH1-OE2 3.37Å; R37-E105 VanDerWaalsContact NH2-CD 3.28Å; R37-E105 IonicContact NH2-OE1 3.74Å; R37-E105 PolarHBondContact NH2-OE1 2.82Å; R37-E105 IonicContact NH2-OE2 2.91Å; R37-E105 PolarHBondContact NH2-OE2 3.25Å; R37-R115 VanDerWaalsContact NH1-CZ 3.33Å; R37-R115 VanDerWaalsContact NH1-NH1 3.11Å
38	N	96.2	Very high	97.5	Very high	6 Å²	6	9.5 Å²	9.5	3%	0.032	5%	0.053	C	C	.	.	S	Bend	trans	50.8	42.5	176.6	-67.8	-40	0	0	0	113.8	H41 H68 N69 S70 D71 L277	N38-H41 PolarHBondContact O-CE1 3.5Å; N38-H68 PolarHBondContact ND2-O 3.03Å; N38-N69 PolarHBondContact N-OD1 3.28Å; N38-N69 VanDerWaalsContact OD1-CA 3.31Å; N38-N69 WeakPolarHBondContact OD1-CA 3.41Å; N38-S70 PolarHBondContact OD1-N 3.45Å; N38-S70 PolarHBondContact OD1-OG 2.84Å; N38-D71 WeakPolarHBondContact CA-OD1 3.43Å; N38-D71 VanDerWaalsContact CA-OD2 3.26Å; N38-D71 WeakPolarHBondContact CA-OD2 3.27Å; N38-L277 HydrophobicContact CB-CD1 4.46Å; N38-L277 HydrophobicContact CB-CD2 3.57Å
39	A	96.4	Very high	97.5	Very high	2 Å²	2	8.2 Å²	8.2	2%	0.017	5%	0.045	C	C	.	.			trans	-106.6	15.1	-173.2	0	0	0	0	0	112.9	R37 H41 S42 L43 D71 T73 T143	R37-A39 PolarHBondContact O-N 3.16Å; A39-H41 PolarHBondContact O-N 3.13Å; A39-S42 PolarHBondContact O-N 3.41Å; A39-S42 PolarHBondContact O-OG 2.9Å; A39-L43 HydrophobicContact CB-CB 4.21Å; A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 PolarHBondContact O-N 2.93Å; A39-D71 PolarHBondContact N-OD2 2.9Å; A39-T73 HydrophobicContact CB-CG2 4.26Å; A39-T73 PolarHBondContact N-OG1 3.36Å; A39-T143 VanDerWaalsContact CB-OG1 3.27Å; A39-T143 WeakPolarHBondContact CB-OG1 3.47Å
40	A	96.4	Very high	97.5	Very high	23 Å²	23	6.6 Å²	6.6	19%	0.19	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.4	-173.4	0	0	0	0	0	113.4	P44 D71 N72 T73 I76	A40-P44 WeakPolarHBondContact O-CD 3.4Å; A40-D71 HydrophobicContact CB-CB 4.05Å; A40-D71 WeakPolarHBondContact CB-OD2 3.28Å; A40-D71 PolarHBondContact N-OD2 3.34Å; A40-N72 HydrophobicContact CB-CB 4.34Å; A40-T73 PolarHBondContact N-OG1 2.96Å; A40-T73 VanDerWaalsContact N-OG1 3.1Å; A40-I76 HydrophobicContact CB-CD1 3.77Å
41	H	95.3	Very high	97.4	Very high	30 Å²	30	7.8 Å²	7.8	14%	0.139	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.8	178.7	61.5	-85.9	0	0	0	114.3	N38 A39 D280 R281 F284	N38-H41 PolarHBondContact O-CE1 3.5Å; A39-H41 PolarHBondContact O-N 3.13Å; H41-D280 IonicContact CE1-OD2 3.99Å; H41-D280 PolarHBondContact CE1-OD2 2.87Å; H41-D280 IonicContact NE2-OD2 2.61Å; H41-R281 HydrophobicContact CB-CB 3.99Å; H41-R281 HydrophobicContact CB-CG 3.8Å; H41-F284 AromaticContact CD2-CG 3.8Å
42	S	96.8	Very high	97.3	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-28.7	-174	52	0	0	0	0	113.3	A39 P44 Y45 Y46 T143	A39-S42 PolarHBondContact O-N 3.41Å; A39-S42 PolarHBondContact O-OG 2.9Å; S42-P44 VanDerWaalsContact C-CD 3.48Å; S42-Y45 WeakPolarHBondContact O-CB 3.36Å; S42-Y45 PolarHBondContact O-N 3.23Å; S42-Y46 PolarHBondContact O-N 2.85Å; S42-T143 PolarHBondContact OG-O 3.43Å
43	L	97.4	Very high	97.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55.4	-41.9	-175.2	-174.8	64.6	0	0	0	113.8	A39 Y45 Y46 L47 T73 I76 L77 T143	A39-L43 HydrophobicContact CB-CB 4.21Å; A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 PolarHBondContact O-N 2.93Å; L43-Y45 VanDerWaalsContact C-N 3.27Å; L43-Y45 PolarHBondContact O-N 2.8Å; L43-Y46 HydrophobicContact CD1-CD1 4.01Å; L43-Y46 PolarHBondContact O-N 3.21Å; L43-L47 HydrophobicContact CD1-CD1 4.02Å; L43-L47 HydrophobicContact CD1-CD2 4.14Å; L43-L47 HydrophobicContact CD1-CG 3.86Å; L43-L47 HydrophobicContact CD2-CD1 4.36Å; L43-L47 HydrophobicContact CG-CD1 3.73Å; L43-L47 HydrophobicContact CG-CG 4.05Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.27Å; L43-L47 PolarHBondContact O-N 3.01Å; L43-T73 HydrophobicContact CD2-CG2 4.11Å; L43-I76 HydrophobicContact CB-CG2 4.37Å; L43-I76 HydrophobicContact CD2-CB 4.08Å; L43-I76 HydrophobicContact CD2-CG2 3.63Å; L43-I76 HydrophobicContact CG-CG2 3.95Å; L43-L77 HydrophobicContact CD2-CB 3.94Å; L43-T143 HydrophobicContact CD1-CG2 3.94Å
44	P	97.8	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.9	-40.8	176.1	-25.8	35.5	0	0	0	113	A40 S42 G48 I76 P300 S301 V304 M306	A40-P44 WeakPolarHBondContact O-CD 3.4Å; S42-P44 VanDerWaalsContact C-CD 3.48Å; P44-G48 PolarHBondContact O-N 2.81Å; P44-I76 HydrophobicContact CG-CD1 4.47Å; P44-I76 HydrophobicContact CG-CG2 4.35Å; P44-P300 HydrophobicContact CB-CB 4.08Å; P44-P300 CarbonylContact O-C 3.53Å; P44-P300 WeakPolarHBondContact O-CA 3.36Å; P44-S301 PolarHBondContact O-N 3.18Å; P44-V304 HydrophobicContact CB-CG1 4.35Å; P44-V304 HydrophobicContact CG-CG1 4.27Å; P44-M306 HydrophobicContact CB-CE 4.46Å; P44-M306 HydrophobicContact CB-CG 4.41Å; P44-M306 HydrophobicContact CB-SD 3.49Å; P44-M306 WeakPolarHBondContact CB-SD 3.5Å; P44-M306 HydrophobicContact CG-CE 4.38Å; P44-M306 HydrophobicContact CG-SD 3.39Å; P44-M306 WeakPolarHBondContact CG-SD 3.45Å
45	Y	97.7	Very high	97.2	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-72.5	-39.9	179	-61	-89.5	0	0	0	111.9	S42 L43 G48 A49 F284 Q288 M298 P300 M306 K309 E340	S42-Y45 WeakPolarHBondContact O-CB 3.36Å; S42-Y45 PolarHBondContact O-N 3.23Å; L43-Y45 VanDerWaalsContact C-N 3.27Å; L43-Y45 PolarHBondContact O-N 2.8Å; Y45-G48 PolarHBondContact O-N 2.82Å; Y45-A49 PolarHBondContact O-N 3.09Å; Y45-F284 AromaticContact CD2-CE1 3.66Å; Y45-F284 HydrophobicContact CD2-CE1 3.66Å; Y45-F284 HydrophobicContact CD2-CZ 4.21Å; Y45-F284 HydrophobicContact CE2-CE1 4.15Å; Y45-F284 HydrophobicContact CG-CE1 4.15Å; Y45-F284 HydrophobicContact CG-CZ 4.31Å; Y45-Q288 VanDerWaalsContact CE1-OE1 3.24Å; Y45-Q288 VanDerWaalsContact CZ-OE1 3.29Å; Y45-Q288 PolarHBondContact OH-OE1 3.17Å; Y45-M298 HydrophobicContact CD1-CB 3.84Å; Y45-M298 WeakPolarHBondContact CD1-O 3.49Å; Y45-M298 VanDerWaalsContact CE1-O 3.25Å; Y45-M298 WeakPolarHBondContact CE1-O 3.36Å; Y45-P300 HydrophobicContact CD1-CB 4.36Å; Y45-P300 HydrophobicContact CE1-CB 4.4Å; Y45-P300 HydrophobicContact CE1-CG 4.49Å; Y45-M306 HydrophobicContact CE2-CE 4.37Å; Y45-K309 PolarHBondContact OH-NZ 3.5Å; Y45-E340 PolarHBondContact OH-OE1 3.3Å; Y45-E340 PolarHBondContact OH-OE2 3.05Å
46	Y	98.2	Very high	97.2	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-48.2	173.9	171.9	-90.2	0	0	0	111.5	I34 S42 L43 G48 A49 L50 A141 D142 T143 N145	I34-Y46 HydrophobicContact CD1-CE1 4.13Å; I34-Y46 HydrophobicContact CG1-CE1 4.07Å; I34-Y46 HydrophobicContact CG2-CE1 3.99Å; S42-Y46 PolarHBondContact O-N 2.85Å; L43-Y46 HydrophobicContact CD1-CD1 4.01Å; L43-Y46 PolarHBondContact O-N 3.21Å; Y46-G48 VanDerWaalsContact C-N 3.35Å; Y46-G48 PolarHBondContact O-N 3.35Å; Y46-A49 WeakPolarHBondContact O-CB 3.49Å; Y46-A49 PolarHBondContact O-N 3.32Å; Y46-A49 VanDerWaalsContact O-N 3.12Å; Y46-L50 HydrophobicContact CD1-CD1 4.15Å; Y46-L50 HydrophobicContact CD1-CG 4.41Å; Y46-L50 HydrophobicContact CE1-CD1 3.44Å; Y46-L50 VanDerWaalsContact CE1-CD1 3.44Å; Y46-L50 HydrophobicContact CE1-CG 4.03Å; Y46-L50 PolarHBondContact O-N 2.81Å; Y46-A141 HydrophobicContact CE2-CB 3.83Å; Y46-A141 WeakPolarHBondContact CE2-O 3.4Å; Y46-A141 PolarHBondContact OH-O 3.22Å; Y46-D142 WeakPolarHBondContact CE2-O 3.5Å; Y46-T143 WeakPolarHBondContact CB-O 3.31Å; Y46-T143 HydrophobicContact CD1-CG2 4.47Å; Y46-T143 HydrophobicContact CE1-CG2 4.39Å; Y46-N145 WeakPolarHBondContact CD2-O 3.34Å
47	L	98.5	Very high	97.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.5	-39.3	179.3	-66	174.4	0	0	0	111.6	I34 L43 A49 L50 E51 I76 L77 W80 V304	I34-L47 HydrophobicContact CD1-CD2 4.29Å; L43-L47 HydrophobicContact CD1-CD1 4.02Å; L43-L47 HydrophobicContact CD1-CD2 4.14Å; L43-L47 HydrophobicContact CD1-CG 3.86Å; L43-L47 HydrophobicContact CD2-CD1 4.36Å; L43-L47 HydrophobicContact CG-CD1 3.73Å; L43-L47 HydrophobicContact CG-CG 4.05Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.27Å; L43-L47 PolarHBondContact O-N 3.01Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.28Å; L47-L50 PolarHBondContact O-N 2.96Å; L47-E51 WeakPolarHBondContact O-CG 3.28Å; L47-E51 PolarHBondContact O-N 3.19Å; L47-I76 HydrophobicContact CD1-CG2 4.22Å; L47-L77 HydrophobicContact CD1-CD1 4.35Å; L47-L77 HydrophobicContact CD2-CD1 4Å; L47-W80 HydrophobicContact CB-CD2 4.3Å; L47-W80 HydrophobicContact CB-CG 4.21Å; L47-W80 HydrophobicContact CD1-CB 3.71Å; L47-W80 HydrophobicContact CD1-CD2 4.12Å; L47-W80 HydrophobicContact CD1-CG 3.7Å; L47-W80 HydrophobicContact CD2-CD2 3.66Å; L47-W80 HydrophobicContact CD2-CE3 3.73Å; L47-W80 HydrophobicContact CD2-CG 4.16Å; L47-W80 HydrophobicContact CD2-CH2 4.18Å; L47-W80 HydrophobicContact CD2-CZ2 4.14Å; L47-W80 HydrophobicContact CD2-CZ3 3.99Å; L47-W80 HydrophobicContact CG-CD2 4.23Å; L47-W80 HydrophobicContact CG-CG 4.23Å; L47-V304 HydrophobicContact CD1-CG2 4.07Å
48	G	97.8	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-39.8	171.2	0	0	0	0	0	112.6	P44 Y45 Y46 E51 R52	P44-G48 PolarHBondContact O-N 2.81Å; Y45-G48 PolarHBondContact O-N 2.82Å; Y46-G48 VanDerWaalsContact C-N 3.35Å; Y46-G48 PolarHBondContact O-N 3.35Å; G48-E51 WeakPolarHBondContact O-CB 3.46Å; G48-E51 PolarHBondContact O-N 3.14Å; G48-R52 WeakPolarHBondContact O-CG 3.48Å; G48-R52 PolarHBondContact O-N 3.38Å; G48-R52 VanDerWaalsContact O-N 3.16Å; G48-R52 PolarHBondContact O-NE 3.42Å; G48-R52 PolarHBondContact O-NH1 3.15Å
49	A	97.6	Very high	97.3	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-43.2	174.9	0	0	0	0	0	111.9	Y45 Y46 L47 E51 R52 L53 I146 L147	Y45-A49 PolarHBondContact O-N 3.09Å; Y46-A49 WeakPolarHBondContact O-CB 3.49Å; Y46-A49 PolarHBondContact O-N 3.32Å; Y46-A49 VanDerWaalsContact O-N 3.12Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.28Å; A49-E51 VanDerWaalsContact C-N 3.34Å; A49-E51 PolarHBondContact O-N 2.74Å; A49-R52 PolarHBondContact O-N 3.29Å; A49-R52 VanDerWaalsContact O-N 3.11Å; A49-L53 PolarHBondContact O-N 3.22Å; A49-L53 VanDerWaalsContact O-N 3.1Å; A49-I146 HydrophobicContact CB-CG2 4.09Å; A49-L147 HydrophobicContact CB-CB 4.49Å; A49-L147 WeakPolarHBondContact CB-O 3.28Å
50	L	97.7	Very high	97.4	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-36.9	176.3	-64.3	-170.3	0	0	0	113.3	I32 I34 Y46 L47 R52 L53 K57 W80	I32-L50 HydrophobicContact CD1-CD2 4.25Å; I32-L50 HydrophobicContact CG2-CD1 4.1Å; I32-L50 HydrophobicContact CG2-CD2 4.39Å; I34-L50 HydrophobicContact CD1-CD1 3.82Å; I34-L50 HydrophobicContact CG1-CD1 4.33Å; Y46-L50 HydrophobicContact CD1-CD1 4.15Å; Y46-L50 HydrophobicContact CD1-CG 4.41Å; Y46-L50 HydrophobicContact CE1-CD1 3.44Å; Y46-L50 VanDerWaalsContact CE1-CD1 3.44Å; Y46-L50 HydrophobicContact CE1-CG 4.03Å; Y46-L50 PolarHBondContact O-N 2.81Å; L47-L50 PolarHBondContact O-N 2.96Å; L50-R52 VanDerWaalsContact C-N 3.28Å; L50-R52 PolarHBondContact O-N 3.09Å; L50-L53 HydrophobicContact CD2-CD1 3.84Å; L50-L53 PolarHBondContact O-N 2.86Å; L50-K57 PolarHBondContact O-NZ 3.13Å; L50-W80 HydrophobicContact CB-CZ2 4.47Å; L50-W80 HydrophobicContact CD1-CH2 4.48Å
51	E	96.9	Very high	97.5	Very high	26 Å²	26	24.1 Å²	24.1	12%	0.121	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-40.5	172.4	-74.7	166.1	-150.9	0	0	111.5	L47 G48 A49 K57 W80 M84 S301 Y303	L47-E51 WeakPolarHBondContact O-CG 3.28Å; L47-E51 PolarHBondContact O-N 3.19Å; G48-E51 WeakPolarHBondContact O-CB 3.46Å; G48-E51 PolarHBondContact O-N 3.14Å; A49-E51 VanDerWaalsContact C-N 3.34Å; A49-E51 PolarHBondContact O-N 2.74Å; E51-K57 WeakPolarHBondContact O-CE 3.47Å; E51-K57 PolarHBondContact O-NZ 3.23Å; E51-W80 HydrophobicContact CG-CZ2 4.44Å; E51-W80 VanDerWaalsContact OE1-CD1 3.29Å; E51-W80 PolarHBondContact OE1-NE1 3.2Å; E51-M84 HydrophobicContact CG-CE 4.16Å; E51-M84 HydrophobicContact CG-SD 4.4Å; E51-S301 WeakPolarHBondContact OE1-CB 3.21Å; E51-S301 PolarHBondContact OE1-OG 3.23Å; E51-Y303 HydrophobicContact CG-CD2 4.43Å; E51-Y303 WeakPolarHBondContact OE1-CD2 3.35Å
52	R	96.8	Very high	97.7	Very high	78 Å²	78	22.7 Å²	22.7	29%	0.294	11%	0.111	S	C	.	.	H	α-helix	trans	-80.8	-13.9	-176.7	-70.8	-176.4	-63.5	-87.3	6.4	114.7	G48 A49 L50 N54 P150 Y299	G48-R52 WeakPolarHBondContact O-CG 3.48Å; G48-R52 PolarHBondContact O-N 3.38Å; G48-R52 VanDerWaalsContact O-N 3.16Å; G48-R52 PolarHBondContact O-NE 3.42Å; G48-R52 PolarHBondContact O-NH1 3.15Å; A49-R52 PolarHBondContact O-N 3.29Å; A49-R52 VanDerWaalsContact O-N 3.11Å; L50-R52 VanDerWaalsContact C-N 3.28Å; L50-R52 PolarHBondContact O-N 3.09Å; R52-N54 PolarHBondContact O-N 3.48Å; R52-N54 VanDerWaalsContact O-N 3.15Å; R52-P150 WeakPolarHBondContact O-CB 3.46Å; R52-Y299 VanDerWaalsContact CZ-O 3.31Å; R52-Y299 PolarHBondContact NH1-O 2.78Å; R52-Y299 PolarHBondContact NH2-O 2.7Å
53	L	97.4	Very high	97.8	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	11%	0.111	C	C	.	.			trans	-51.5	123.3	174	-71.7	176.8	0	0	0	110.6	I32 A49 L50 Y55 K57 L147 P150	I32-L53 HydrophobicContact CD1-CD1 4.23Å; A49-L53 PolarHBondContact O-N 3.22Å; A49-L53 VanDerWaalsContact O-N 3.1Å; L50-L53 HydrophobicContact CD2-CD1 3.84Å; L50-L53 PolarHBondContact O-N 2.86Å; L53-Y55 PolarHBondContact O-N 3.23Å; L53-K57 PolarHBondContact O-NZ 3.23Å; L53-L147 HydrophobicContact CD2-CD1 4.44Å; L53-P150 WeakPolarHBondContact CA-O 3.44Å
54	N	97.6	Very high	97.8	Very high	97 Å²	97	22.8 Å²	22.8	52%	0.519	11%	0.111	S	C	.	.	S	Bend	trans	-79.9	69.3	-179.8	-173.1	21.7	0	0	0	110.5	R52 P150 E151 N154	R52-N54 PolarHBondContact O-N 3.48Å; R52-N54 VanDerWaalsContact O-N 3.15Å; N54-P150 HydrophobicContact CB-CB 4.23Å; N54-P150 PolarHBondContact N-O 3.07Å; N54-E151 WeakPolarHBondContact CB-OE1 3.27Å; N54-E151 PolarHBondContact ND2-OE1 3.29Å; N54-N154 PolarHBondContact O-ND2 2.86Å
55	Y	98.1	Very high	97.8	Very high	8 Å²	8	23 Å²	23	3%	0.031	11%	0.112	C	C	.	.	S	Bend	trans	-143.1	140	179.7	-155.6	-92.7	0	0	0	108.8	P27 P28 V30 L53 K57 R59 I60 L153 N154 I157	P27-Y55 HydrophobicContact CB-CE2 4.26Å; P28-Y55 WeakPolarHBondContact CD-OH 3.43Å; P28-Y55 WeakPolarHBondContact O-CE1 3.48Å; P28-Y55 PolarHBondContact O-OH 3.15Å; V30-Y55 HydrophobicContact CG2-CE1 3.72Å; L53-Y55 PolarHBondContact O-N 3.23Å; Y55-K57 PolarHBondContact O-N 2.75Å; Y55-K57 VanDerWaalsContact O-N 3.1Å; Y55-R59 HydrophobicContact CD1-CB 4.46Å; Y55-R59 HydrophobicContact CE1-CB 4.03Å; Y55-I60 HydrophobicContact CD1-CD1 3.88Å; Y55-I60 HydrophobicContact CD1-CG1 3.79Å; Y55-I60 HydrophobicContact CE1-CG1 4.42Å; Y55-I60 HydrophobicContact CG-CD1 4.36Å; Y55-L153 HydrophobicContact CD1-CD2 3.8Å; Y55-L153 HydrophobicContact CD2-CB 4.31Å; Y55-L153 HydrophobicContact CD2-CD2 3.62Å; Y55-L153 HydrophobicContact CD2-CG 3.84Å; Y55-L153 HydrophobicContact CE1-CD2 4.2Å; Y55-L153 HydrophobicContact CE2-CD2 4.05Å; Y55-L153 HydrophobicContact CE2-CG 4.06Å; Y55-L153 HydrophobicContact CG-CD2 3.47Å; Y55-L153 VanDerWaalsContact CG-CD2 3.47Å; Y55-L153 HydrophobicContact CG-CG 4.22Å; Y55-N154 VanDerWaalsContact CD2-OD1 3.23Å; Y55-N154 WeakPolarHBondContact CD2-OD1 3.37Å; Y55-N154 WeakPolarHBondContact CE2-OD1 3.37Å; Y55-I157 HydrophobicContact CE2-CD1 3.72Å
56	P	97.5	Very high	97.7	Very high	50 Å²	50	22.7 Å²	22.7	33%	0.325	11%	0.112	S	C	.	.			trans	-58.1	119.6	-177.9	-25.9	36.3	0	0	0	111	P27 D58 R59	P27-P56 HydrophobicContact CG-CG 3.67Å; P56-D58 VanDerWaalsContact CB-OD1 3.24Å; P56-D58 WeakPolarHBondContact CB-OD1 3.37Å; P56-D58 PolarHBondContact O-N 3.44Å; P56-R59 HydrophobicContact CB-CB 4.2Å; P56-R59 HydrophobicContact CB-CG 3.76Å; P56-R59 HydrophobicContact CG-CG 4.4Å; P56-R59 WeakPolarHBondContact O-CA 3.14Å; P56-R59 WeakPolarHBondContact O-CB 3.06Å; P56-R59 PolarHBondContact O-N 3.21Å
57	K	97.3	Very high	97.4	Very high	40 Å²	40	22.7 Å²	22.7	17%	0.174	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-65.6	-32.2	-174	-55.8	-54.9	-175.7	-165.3	0	111.2	L50 E51 L53 Y55 R59 I60 F87 Y88 H89	L50-K57 PolarHBondContact O-NZ 3.13Å; E51-K57 WeakPolarHBondContact O-CE 3.47Å; E51-K57 PolarHBondContact O-NZ 3.23Å; L53-K57 PolarHBondContact O-NZ 3.23Å; Y55-K57 PolarHBondContact O-N 2.75Å; Y55-K57 VanDerWaalsContact O-N 3.1Å; K57-R59 PolarHBondContact O-N 2.8Å; K57-I60 HydrophobicContact CD-CD1 4.34Å; K57-I60 PolarHBondContact O-N 3.31Å; K57-I60 VanDerWaalsContact O-O 3.12Å; K57-F87 CarbonylContact C-O 3.56Å; K57-F87 VanDerWaalsContact C-O 3.23Å; K57-F87 HydrophobicContact CB-CB 4.21Å; K57-F87 WeakPolarHBondContact CB-O 3.12Å; K57-Y88 HydrophobicContact CB-CD1 4.12Å; K57-Y88 HydrophobicContact CB-CE1 4.22Å; K57-Y88 HydrophobicContact CD-CE1 3.83Å; K57-Y88 HydrophobicContact CG-CE1 4.49Å; K57-Y88 WeakPolarHBondContact O-CA 3.24Å; K57-Y88 WeakPolarHBondContact O-CD1 3.36Å; K57-H89 PolarHBondContact O-N 2.58Å
58	D	97	Very high	97.3	Very high	89 Å²	89	23.2 Å²	23.2	48%	0.476	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-67.6	-8.6	173.2	66.4	-63.2	0	0	0	113.8	P56 F87 H89	P56-D58 VanDerWaalsContact CB-OD1 3.24Å; P56-D58 WeakPolarHBondContact CB-OD1 3.37Å; P56-D58 PolarHBondContact O-N 3.44Å; D58-F87 PolarHBondContact N-O 3.1Å; D58-H89 VanDerWaalsContact O-CB 3.25Å; D58-H89 WeakPolarHBondContact O-CB 3.38Å; D58-H89 PolarHBondContact O-ND1 3.47Å
59	R	97.8	Very high	97.2	Very high	62 Å²	62	23.9 Å²	23.9	23%	0.234	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-101.2	-0.9	170.2	-57.2	-67.8	-67.6	174.4	-3.2	112.8	P27 T29 V30 Y55 P56 K57	P27-R59 HydrophobicContact CG-CG 4.3Å; P27-R59 PolarHBondContact O-NE 3.42Å; P27-R59 PolarHBondContact O-NH2 3.47Å; T29-R59 WeakPolarHBondContact CA-O 3.42Å; V30-R59 PolarHBondContact N-O 2.67Å; Y55-R59 HydrophobicContact CD1-CB 4.46Å; Y55-R59 HydrophobicContact CE1-CB 4.03Å; P56-R59 HydrophobicContact CB-CB 4.2Å; P56-R59 HydrophobicContact CB-CG 3.76Å; P56-R59 HydrophobicContact CG-CG 4.4Å; P56-R59 WeakPolarHBondContact O-CA 3.14Å; P56-R59 WeakPolarHBondContact O-CB 3.06Å; P56-R59 PolarHBondContact O-N 3.21Å; K57-R59 PolarHBondContact O-N 2.8Å
60	I	98.6	Very high	97	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.7	178.4	-65.7	165.7	0	0	0	110	V30 I32 Y55 K57 V62 Y88 H89 L153	V30-I60 HydrophobicContact CB-CG1 4.35Å; V30-I60 CarbonylContact O-C 3.56Å; V30-I60 VanDerWaalsContact O-CA 3.27Å; V30-I60 WeakPolarHBondContact O-CA 3.29Å; I32-I60 HydrophobicContact CD1-CD1 4.34Å; I32-I60 HydrophobicContact CD1-CG2 3.73Å; I32-I60 HydrophobicContact CG1-CG2 3.85Å; Y55-I60 HydrophobicContact CD1-CD1 3.88Å; Y55-I60 HydrophobicContact CD1-CG1 3.79Å; Y55-I60 HydrophobicContact CE1-CG1 4.42Å; Y55-I60 HydrophobicContact CG-CD1 4.36Å; K57-I60 HydrophobicContact CD-CD1 4.34Å; K57-I60 PolarHBondContact O-N 3.31Å; K57-I60 VanDerWaalsContact O-O 3.12Å; I60-V62 HydrophobicContact CG2-CG2 4.38Å; I60-Y88 HydrophobicContact CB-CD1 3.66Å; I60-Y88 HydrophobicContact CB-CE1 3.84Å; I60-Y88 HydrophobicContact CD1-CE1 4.23Å; I60-Y88 HydrophobicContact CG2-CD1 3.58Å; I60-Y88 HydrophobicContact CG2-CE1 3.56Å; I60-H89 VanDerWaalsContact O-CB 3.29Å; I60-H89 WeakPolarHBondContact O-CB 2.85Å; I60-H89 PolarHBondContact O-N 3.47Å; I60-L153 HydrophobicContact CD1-CD2 4.46Å
61	S	98.6	Very high	96.9	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.063	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139	163.1	-61.9	0	0	0	0	110	V30 V31 I32 H89 Y90	V30-S61 PolarHBondContact O-N 2.99Å; V31-S61 CarbonylContact C-O 3.59Å; V31-S61 VanDerWaalsContact CA-O 3.26Å; V31-S61 WeakPolarHBondContact CA-O 3.13Å; I32-S61 PolarHBondContact N-O 2.9Å; S61-H89 PolarHBondContact OG-CD2 2.73Å; S61-Y90 CarbonylContact C-O 3.55Å; S61-Y90 VanDerWaalsContact CA-O 3.25Å; S61-Y90 WeakPolarHBondContact CA-O 3.49Å
62	V	98.5	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.9	175.9	178.5	0	0	0	0	109.1	I34 I60 A64 W80 L81 Y88 Y90 V91 E92	I34-V62 HydrophobicContact CD1-CG1 3.66Å; I34-V62 HydrophobicContact CG1-CG1 4.19Å; I60-V62 HydrophobicContact CG2-CG2 4.38Å; V62-A64 HydrophobicContact CG1-CB 4.18Å; V62-W80 HydrophobicContact CG1-CZ3 4.47Å; V62-L81 HydrophobicContact CG1-CD2 4.06Å; V62-Y88 HydrophobicContact CG2-CD1 4.07Å; V62-Y88 HydrophobicContact CG2-CD2 3.74Å; V62-Y88 HydrophobicContact CG2-CE1 4.2Å; V62-Y88 HydrophobicContact CG2-CE2 3.89Å; V62-Y88 HydrophobicContact CG2-CG 3.84Å; V62-Y90 PolarHBondContact N-O 3.09Å; V62-V91 HydrophobicContact CB-CG2 4.28Å; V62-V91 CarbonylContact O-C 3.49Å; V62-V91 WeakPolarHBondContact O-CA 3.15Å; V62-E92 PolarHBondContact O-N 3.13Å
63	W	98.6	Very high	96.9	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.6	167.6	-173	94.4	0	0	0	107.9	V31 I32 A33 I34 I35 A65 E92 L122 A125 A126 F129	V31-W63 HydrophobicContact CG1-CB 4.22Å; I32-W63 PolarHBondContact O-N 2.99Å; A33-W63 CarbonylContact C-O 3.57Å; A33-W63 WeakPolarHBondContact CA-O 3.41Å; I34-W63 PolarHBondContact N-O 2.72Å; I35-W63 HydrophobicContact CD1-CZ3 4.39Å; I35-W63 HydrophobicContact CG1-CZ3 3.92Å; W63-A65 HydrophobicContact CE3-CB 4.39Å; W63-A65 HydrophobicContact CH2-CB 3.62Å; W63-A65 HydrophobicContact CZ2-CB 4.45Å; W63-A65 HydrophobicContact CZ3-CB 3.58Å; W63-E92 HydrophobicContact CG-CB 4.33Å; W63-E92 HydrophobicContact CG-CG 4.48Å; W63-L122 HydrophobicContact CH2-CB 4.13Å; W63-L122 HydrophobicContact CH2-CD2 4.03Å; W63-L122 WeakPolarHBondContact CH2-O 3.28Å; W63-A125 HydrophobicContact CH2-CB 4.21Å; W63-A125 HydrophobicContact CZ2-CB 3.73Å; W63-A126 HydrophobicContact CD2-CB 3.68Å; W63-A126 HydrophobicContact CE3-CB 3.52Å; W63-A126 HydrophobicContact CG-CB 4.2Å; W63-A126 HydrophobicContact CH2-CB 4.33Å; W63-A126 HydrophobicContact CZ2-CB 4.48Å; W63-A126 HydrophobicContact CZ3-CB 3.87Å; W63-F129 HydrophobicContact CB-CD1 4.07Å; W63-F129 HydrophobicContact CB-CE1 4.28Å; W63-F129 AromaticContact CD1-CD1 3.65Å; W63-F129 AromaticContact CD1-CD2 3.86Å; W63-F129 AromaticContact CD1-CG 3.45Å; W63-F129 VanDerWaalsContact CD1-CG 3.45Å; W63-F129 HydrophobicContact CG-CD1 4.18Å; W63-F129 HydrophobicContact CG-CG 4.35Å
64	A	98.3	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.5	-173.1	0	0	0	0	0	111	I34 V62 L77 L81 E92 W93 R94	I34-A64 HydrophobicContact CB-CB 4.23Å; I34-A64 CarbonylContact O-C 3.31Å; I34-A64 WeakPolarHBondContact O-CA 3.46Å; V62-A64 HydrophobicContact CG1-CB 4.18Å; A64-L77 HydrophobicContact CB-CD2 4.33Å; A64-L81 HydrophobicContact CB-CD1 3.86Å; A64-L81 HydrophobicContact CB-CD2 4.33Å; A64-E92 PolarHBondContact N-O 3.49Å; A64-W93 HydrophobicContact CB-CE3 3.77Å; A64-W93 HydrophobicContact CB-CZ3 4.02Å; A64-R94 PolarHBondContact O-N 3.3Å
65	A	97.8	Very high	96.8	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.4	174.2	0	0	0	0	0	110.2	I34 I35 A36 W63 R94 L122	I34-A65 PolarHBondContact O-N 3.45Å; I35-A65 WeakPolarHBondContact CA-O 3.37Å; A36-A65 PolarHBondContact N-O 3.41Å; W63-A65 HydrophobicContact CE3-CB 4.39Å; W63-A65 HydrophobicContact CH2-CB 3.62Å; W63-A65 HydrophobicContact CZ2-CB 4.45Å; W63-A65 HydrophobicContact CZ3-CB 3.58Å; A65-R94 WeakPolarHBondContact CA-O 3.2Å; A65-R94 HydrophobicContact CB-CB 4.25Å; A65-L122 HydrophobicContact CB-CD1 4.34Å; A65-L122 HydrophobicContact CB-CD2 4.04Å
66	T	95.8	Very high	96.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.1	175.7	-166.1	0	0	0	0	110.9	A36 N69 T74 W93 R94 P95 M96	A36-T66 VanDerWaalsContact O-CA 3.23Å; A36-T66 WeakPolarHBondContact O-CA 3.31Å; A36-T66 WeakPolarHBondContact O-CB 3.25Å; A36-T66 PolarHBondContact O-OG1 3.19Å; T66-N69 PolarHBondContact OG1-ND2 3.27Å; T66-T74 HydrophobicContact CG2-CG2 3.89Å; T66-W93 HydrophobicContact CG2-CH2 3.42Å; T66-W93 VanDerWaalsContact CG2-CH2 3.42Å; T66-W93 HydrophobicContact CG2-CZ2 4.19Å; T66-W93 HydrophobicContact CG2-CZ3 4Å; T66-R94 PolarHBondContact N-O 3.3Å; T66-P95 HydrophobicContact CG2-CB 4.32Å; T66-M96 PolarHBondContact O-N 3Å
67	D	92.1	Very high	96.8	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	14%	0.137	C	C	.	.			trans	-156.4	161.6	-171.6	69.8	-48.5	0	0	0	112.1	A36 R37 N69 M96 Y102 Y118	A36-D67 PolarHBondContact O-N 3.11Å; R37-D67 WeakPolarHBondContact CG-O 3.22Å; D67-N69 PolarHBondContact O-N 3.17Å; D67-N69 PolarHBondContact O-OD1 2.83Å; D67-M96 HydrophobicContact CB-CB 4.33Å; D67-M96 HydrophobicContact CB-CE 3.51Å; D67-Y102 PolarHBondContact OD2-OH 2.83Å; D67-Y118 HydrophobicContact CB-CE1 3.88Å; D67-Y118 VanDerWaalsContact CG-CE1 3.44Å; D67-Y118 WeakPolarHBondContact OD2-CD1 3.37Å; D67-Y118 WeakPolarHBondContact OD2-CE1 3.5Å
68	H	95.1	Very high	96.8	Very high	11 Å²	11	27.8 Å²	27.8	5%	0.051	15%	0.149	C	C	.	.	S	Bend	trans	49.5	39.4	172.3	-57.4	89.7	0	0	0	114.2	R37 N38 P99 T100 S101 Y102	R37-H68 HydrophobicContact CG-CB 4.34Å; R37-H68 WeakPolarHBondContact CG-O 3.45Å; R37-H68 PolarHBondContact NE-O 3.34Å; N38-H68 PolarHBondContact ND2-O 3.03Å; H68-P99 WeakPolarHBondContact CA-O 3.45Å; H68-P99 PolarHBondContact CD2-O 3.15Å; H68-P99 PolarHBondContact N-O 3.35Å; H68-P99 WeakPolarHBondContact NE2-CG 3.32Å; H68-T100 CarbonylContact C-O 3.52Å; H68-T100 VanDerWaalsContact C-O 3.31Å; H68-T100 VanDerWaalsContact O-O 3.04Å; H68-S101 PolarHBondContact CD2-O 3.47Å; H68-Y102 HydrophobicContact CB-CD2 4.41Å; H68-Y102 HydrophobicContact CB-CE2 3.94Å; H68-Y102 AromaticContact CD2-CD2 3.8Å; H68-Y102 AromaticContact CD2-CE2 3.72Å; H68-Y102 AromaticContact CE1-CE1 3.62Å; H68-Y102 AromaticContact CE1-CE2 3.86Å; H68-Y102 AromaticContact CE1-CZ 3.38Å; H68-Y102 AromaticContact CG-CE2 3.52Å; H68-Y102 AromaticContact CG-CZ 3.85Å; H68-Y102 AromaticContact ND1-CE2 3.61Å; H68-Y102 AromaticContact ND1-CZ 3.45Å; H68-Y102 PolarHBondContact ND1-OH 3Å; H68-Y102 AromaticContact NE2-CD1 3.92Å; H68-Y102 AromaticContact NE2-CE1 3.69Å; H68-Y102 AromaticContact NE2-CE2 3.92Å; H68-Y102 AromaticContact NE2-CZ 3.71Å
69	N	95.6	Very high	96.9	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.07	14%	0.144	C	C	.	.			trans	-87.8	133.6	176.7	-63	-51.2	0	0	0	110.7	R37 N38 T66 D67 T73 T74 T100	R37-N69 VanDerWaalsContact CA-OD1 3.25Å; R37-N69 WeakPolarHBondContact CA-OD1 3.04Å; N38-N69 PolarHBondContact N-OD1 3.28Å; N38-N69 VanDerWaalsContact OD1-CA 3.31Å; N38-N69 WeakPolarHBondContact OD1-CA 3.41Å; T66-N69 PolarHBondContact OG1-ND2 3.27Å; D67-N69 PolarHBondContact O-N 3.17Å; D67-N69 PolarHBondContact O-OD1 2.83Å; N69-T73 WeakPolarHBondContact OD1-CB 3.47Å; N69-T74 PolarHBondContact ND2-OG1 2.88Å; N69-T100 WeakPolarHBondContact O-CB 3.5Å; N69-T100 VanDerWaalsContact O-CG2 3.25Å; N69-T100 WeakPolarHBondContact O-CG2 3.32Å
70	S	95.1	Very high	96.9	Very high	80 Å²	80	24.4 Å²	24.4	56%	0.559	13%	0.133	S	C	*	.	S	Bend	trans	-109.2	0.7	163.8	59.2	0	0	0	0	112.3	N38 L277	N38-S70 PolarHBondContact OD1-N 3.45Å; N38-S70 PolarHBondContact OD1-OG 2.84Å; S70-L277 WeakPolarHBondContact OG-CD1 3.44Å
71	D	95.4	Very high	96.8	Very high	43 Å²	43	24.8 Å²	24.8	23%	0.23	14%	0.135	C	C	.	.	S	Bend	trans	-117.4	-169	177	72	3.1	0	0	0	112.1	N38 A39 A40 T73 L277	N38-D71 WeakPolarHBondContact CA-OD1 3.43Å; N38-D71 VanDerWaalsContact CA-OD2 3.26Å; N38-D71 WeakPolarHBondContact CA-OD2 3.27Å; A39-D71 PolarHBondContact N-OD2 2.9Å; A40-D71 HydrophobicContact CB-CB 4.05Å; A40-D71 WeakPolarHBondContact CB-OD2 3.28Å; A40-D71 PolarHBondContact N-OD2 3.34Å; D71-T73 VanDerWaalsContact CG-OG1 3.28Å; D71-T73 PolarHBondContact O-N 3.41Å; D71-T73 VanDerWaalsContact OD1-CB 3.22Å; D71-T73 WeakPolarHBondContact OD1-CB 3.39Å; D71-T73 PolarHBondContact OD1-N 3.46Å; D71-T73 PolarHBondContact OD1-OG1 2.93Å; D71-T73 PolarHBondContact OD2-OG1 3.39Å; D71-L277 HydrophobicContact CB-CD1 3.95Å
72	N	95.6	Very high	96.8	Very high	88 Å²	88	28.1 Å²	28.1	47%	0.471	16%	0.155	S	C	.	.	S	Bend	trans	-82.2	15.3	-175.1	-151.9	31.9	0	0	0	115	A40 T74 A75 I76	A40-N72 HydrophobicContact CB-CB 4.34Å; N72-T74 PolarHBondContact O-N 3.21Å; N72-A75 PolarHBondContact O-N 3.3Å; N72-A75 VanDerWaalsContact O-N 3.17Å; N72-A75 WeakPolarHBondContact OD1-CB 3.45Å; N72-I76 HydrophobicContact CB-CD1 4.35Å; N72-I76 WeakPolarHBondContact O-CG1 3.31Å; N72-I76 PolarHBondContact O-N 3.02Å; N72-I76 VanDerWaalsContact O-N 3.08Å
73	T	97.1	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-53.4	-48.8	-175.3	-65.4	0	0	0	0	112.9	A36 A39 A40 L43 N69 D71 A75 I76 L77	A36-T73 HydrophobicContact CB-CG2 3.6Å; A39-T73 HydrophobicContact CB-CG2 4.26Å; A39-T73 PolarHBondContact N-OG1 3.36Å; A40-T73 PolarHBondContact N-OG1 2.96Å; A40-T73 VanDerWaalsContact N-OG1 3.1Å; L43-T73 HydrophobicContact CD2-CG2 4.11Å; N69-T73 WeakPolarHBondContact OD1-CB 3.47Å; D71-T73 VanDerWaalsContact CG-OG1 3.28Å; D71-T73 PolarHBondContact O-N 3.41Å; D71-T73 VanDerWaalsContact OD1-CB 3.22Å; D71-T73 WeakPolarHBondContact OD1-CB 3.39Å; D71-T73 PolarHBondContact OD1-N 3.46Å; D71-T73 PolarHBondContact OD1-OG1 2.93Å; D71-T73 PolarHBondContact OD2-OG1 3.39Å; T73-A75 VanDerWaalsContact C-N 3.3Å; T73-A75 PolarHBondContact O-N 2.91Å; T73-I76 PolarHBondContact O-N 3.14Å; T73-L77 WeakPolarHBondContact O-CB 3.32Å; T73-L77 PolarHBondContact O-N 2.67Å
74	T	97.2	Very high	96.6	Very high	13 Å²	13	30 Å²	30	8%	0.08	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-40.6	-178.6	-55.7	0	0	0	0	111.9	T66 N69 N72 R78 W93 P95	T66-T74 HydrophobicContact CG2-CG2 3.89Å; N69-T74 PolarHBondContact ND2-OG1 2.88Å; N72-T74 PolarHBondContact O-N 3.21Å; T74-R78 VanDerWaalsContact O-CB 3.25Å; T74-R78 WeakPolarHBondContact O-CB 3.2Å; T74-R78 PolarHBondContact O-N 3.46Å; T74-W93 HydrophobicContact CG2-CH2 4.44Å; T74-W93 HydrophobicContact CG2-CZ2 4.11Å; T74-P95 HydrophobicContact CG2-CB 4.22Å
75	A	96.6	Very high	96.5	Very high	42 Å²	42	35.3 Å²	35.3	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-71.2	-44.5	-177.6	0	0	0	0	0	111.6	N72 T73 L77 R78 E79	N72-A75 PolarHBondContact O-N 3.3Å; N72-A75 VanDerWaalsContact O-N 3.17Å; N72-A75 WeakPolarHBondContact OD1-CB 3.45Å; T73-A75 VanDerWaalsContact C-N 3.3Å; T73-A75 PolarHBondContact O-N 2.91Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 3.34Å; A75-R78 PolarHBondContact O-N 3.13Å; A75-E79 WeakPolarHBondContact O-CB 3.19Å; A75-E79 PolarHBondContact O-N 3.39Å
76	I	97.7	Very high	96.5	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-48.1	176.5	-71.2	166.1	0	0	0	110.5	A40 L43 P44 L47 N72 T73 R78 E79 W80 V304	A40-I76 HydrophobicContact CB-CD1 3.77Å; L43-I76 HydrophobicContact CB-CG2 4.37Å; L43-I76 HydrophobicContact CD2-CB 4.08Å; L43-I76 HydrophobicContact CD2-CG2 3.63Å; L43-I76 HydrophobicContact CG-CG2 3.95Å; P44-I76 HydrophobicContact CG-CD1 4.47Å; P44-I76 HydrophobicContact CG-CG2 4.35Å; L47-I76 HydrophobicContact CD1-CG2 4.22Å; N72-I76 HydrophobicContact CB-CD1 4.35Å; N72-I76 WeakPolarHBondContact O-CG1 3.31Å; N72-I76 PolarHBondContact O-N 3.02Å; N72-I76 VanDerWaalsContact O-N 3.08Å; T73-I76 PolarHBondContact O-N 3.14Å; I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 3.06Å; I76-E79 PolarHBondContact O-N 3.47Å; I76-W80 PolarHBondContact O-N 3.06Å; I76-W80 VanDerWaalsContact O-N 3.15Å; I76-V304 HydrophobicContact CB-CG1 4.44Å; I76-V304 HydrophobicContact CG1-CG1 4.33Å; I76-V304 HydrophobicContact CG2-CG1 3.67Å; I76-V304 HydrophobicContact CG2-CG2 4.1Å
77	L	97.4	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-40.3	-179.8	-167.2	47.5	0	0	0	111.4	I34 A36 L43 L47 A64 T73 A75 W80 L81 W93	I34-L77 HydrophobicContact CG2-CD1 4.35Å; I34-L77 HydrophobicContact CG2-CD2 4.19Å; A36-L77 HydrophobicContact CB-CD2 4.05Å; L43-L77 HydrophobicContact CD2-CB 3.94Å; L47-L77 HydrophobicContact CD1-CD1 4.35Å; L47-L77 HydrophobicContact CD2-CD1 4Å; A64-L77 HydrophobicContact CB-CD2 4.33Å; T73-L77 WeakPolarHBondContact O-CB 3.32Å; T73-L77 PolarHBondContact O-N 2.67Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 3.34Å; L77-W80 HydrophobicContact CD1-CE3 4.4Å; L77-W80 PolarHBondContact O-N 2.83Å; L77-L81 HydrophobicContact CD1-CD1 4.23Å; L77-L81 HydrophobicContact CD1-CG 4.2Å; L77-L81 HydrophobicContact CG-CD1 3.93Å; L77-L81 HydrophobicContact CG-CG 4.38Å; L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 2.76Å; L77-W93 HydrophobicContact CB-CH2 3.96Å; L77-W93 HydrophobicContact CB-CZ3 4.31Å; L77-W93 HydrophobicContact CD2-CH2 3.86Å; L77-W93 HydrophobicContact CD2-CZ3 3.5Å; L77-W93 VanDerWaalsContact CD2-CZ3 3.5Å; L77-W93 HydrophobicContact CG-CH2 3.85Å; L77-W93 HydrophobicContact CG-CZ3 3.67Å
78	R	97.6	Very high	96.8	Very high	111 Å²	111	48.2 Å²	48.2	42%	0.419	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-43.9	176.6	-175.4	-175.5	-60.5	169.6	0.8	112.3	T74 A75 I76 W80 L81 T82 W93	T74-R78 VanDerWaalsContact O-CB 3.25Å; T74-R78 WeakPolarHBondContact O-CB 3.2Å; T74-R78 PolarHBondContact O-N 3.46Å; A75-R78 PolarHBondContact O-N 3.13Å; I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 3.06Å; R78-W80 VanDerWaalsContact C-N 3.35Å; R78-L81 PolarHBondContact O-N 3.42Å; R78-T82 WeakPolarHBondContact O-CB 3.1Å; R78-T82 PolarHBondContact O-N 2.96Å; R78-T82 PolarHBondContact O-OG1 3.46Å; R78-W93 HydrophobicContact CB-CZ2 4.2Å
79	E	97.6	Very high	96.9	Very high	80 Å²	80	52.9 Å²	52.9	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-56.3	-51.8	177.2	-173.2	-176.3	-170.5	0	0	110.2	A75 I76 T82 V83 H305	A75-E79 WeakPolarHBondContact O-CB 3.19Å; A75-E79 PolarHBondContact O-N 3.39Å; I76-E79 PolarHBondContact O-N 3.47Å; E79-T82 PolarHBondContact O-N 2.78Å; E79-V83 PolarHBondContact O-N 3.29Å; E79-H305 PolarHBondContact OE1-N 3.33Å; E79-H305 VanDerWaalsContact OE1-N 3.16Å; E79-H305 PolarHBondContact OE2-N 3.31Å
80	W	98.4	Very high	97	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-50	178.6	-175.4	81.4	0	0	0	113.2	I34 L47 L50 E51 V62 I76 L77 R78 T82 V83 M84 Y88 S301 V304	I34-W80 HydrophobicContact CD1-CZ3 4.15Å; L47-W80 HydrophobicContact CB-CD2 4.3Å; L47-W80 HydrophobicContact CB-CG 4.21Å; L47-W80 HydrophobicContact CD1-CB 3.71Å; L47-W80 HydrophobicContact CD1-CD2 4.12Å; L47-W80 HydrophobicContact CD1-CG 3.7Å; L47-W80 HydrophobicContact CD2-CD2 3.66Å; L47-W80 HydrophobicContact CD2-CE3 3.73Å; L47-W80 HydrophobicContact CD2-CG 4.16Å; L47-W80 HydrophobicContact CD2-CH2 4.18Å; L47-W80 HydrophobicContact CD2-CZ2 4.14Å; L47-W80 HydrophobicContact CD2-CZ3 3.99Å; L47-W80 HydrophobicContact CG-CD2 4.23Å; L47-W80 HydrophobicContact CG-CG 4.23Å; L50-W80 HydrophobicContact CB-CZ2 4.47Å; L50-W80 HydrophobicContact CD1-CH2 4.48Å; E51-W80 HydrophobicContact CG-CZ2 4.44Å; E51-W80 VanDerWaalsContact OE1-CD1 3.29Å; E51-W80 PolarHBondContact OE1-NE1 3.2Å; V62-W80 HydrophobicContact CG1-CZ3 4.47Å; I76-W80 PolarHBondContact O-N 3.06Å; I76-W80 VanDerWaalsContact O-N 3.15Å; L77-W80 HydrophobicContact CD1-CE3 4.4Å; L77-W80 PolarHBondContact O-N 2.83Å; R78-W80 VanDerWaalsContact C-N 3.35Å; W80-T82 VanDerWaalsContact C-N 3.26Å; W80-T82 PolarHBondContact O-N 3.1Å; W80-V83 PolarHBondContact O-N 3.29Å; W80-V83 VanDerWaalsContact O-N 3.14Å; W80-M84 HydrophobicContact CD2-CB 4.17Å; W80-M84 HydrophobicContact CD2-CG 3.81Å; W80-M84 VanDerWaalsContact CE2-CG 3.45Å; W80-M84 HydrophobicContact CE3-CB 4.31Å; W80-M84 HydrophobicContact CE3-CG 4.44Å; W80-M84 HydrophobicContact CG-CG 4.16Å; W80-M84 HydrophobicContact CH2-CB 4.36Å; W80-M84 HydrophobicContact CH2-CG 4.45Å; W80-M84 HydrophobicContact CZ2-CB 4.2Å; W80-M84 HydrophobicContact CZ2-CE 4.34Å; W80-M84 HydrophobicContact CZ2-CG 3.81Å; W80-M84 HydrophobicContact CZ3-CB 4.4Å; W80-M84 WeakPolarHBondContact O-CB 3.41Å; W80-M84 WeakPolarHBondContact O-CG 3.47Å; W80-M84 PolarHBondContact O-N 3.46Å; W80-Y88 HydrophobicContact CH2-CD2 4.37Å; W80-Y88 AromaticContact CH2-CE2 3.39Å; W80-Y88 HydrophobicContact CH2-CE2 3.39Å; W80-Y88 AromaticContact CH2-CZ 3.94Å; W80-Y88 AromaticContact CZ2-CE2 3.79Å; W80-Y88 HydrophobicContact CZ2-CE2 3.79Å; W80-Y88 HydrophobicContact CZ3-CE2 4.21Å; W80-S301 VanDerWaalsContact CD1-OG 3.31Å; W80-V304 HydrophobicContact CB-CG2 3.81Å; W80-V304 HydrophobicContact CG-CG2 4.38Å
81	L	97.8	Very high	97.2	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-35.7	-178.7	-69.8	171.2	0	0	0	111.9	V62 A64 L77 R78 V83 M84 Q85 V91 W93	V62-L81 HydrophobicContact CG1-CD2 4.06Å; A64-L81 HydrophobicContact CB-CD1 3.86Å; A64-L81 HydrophobicContact CB-CD2 4.33Å; L77-L81 HydrophobicContact CD1-CD1 4.23Å; L77-L81 HydrophobicContact CD1-CG 4.2Å; L77-L81 HydrophobicContact CG-CD1 3.93Å; L77-L81 HydrophobicContact CG-CG 4.38Å; L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 2.76Å; R78-L81 PolarHBondContact O-N 3.42Å; L81-V83 PolarHBondContact O-N 3.39Å; L81-M84 PolarHBondContact O-N 3.19Å; L81-Q85 VanDerWaalsContact O-CB 3.31Å; L81-Q85 WeakPolarHBondContact O-CB 3.45Å; L81-Q85 WeakPolarHBondContact O-CG 3.3Å; L81-Q85 PolarHBondContact O-N 3.15Å; L81-V91 HydrophobicContact CB-CG1 4.47Å; L81-V91 HydrophobicContact CD2-CG1 3.66Å; L81-V91 HydrophobicContact CG-CG1 4.42Å; L81-W93 HydrophobicContact CD1-CB 4.41Å; L81-W93 HydrophobicContact CD1-CD2 3.63Å; L81-W93 HydrophobicContact CD1-CE3 3.26Å; L81-W93 HydrophobicContact CD1-CG 4.16Å; L81-W93 HydrophobicContact CD1-CH2 4.36Å; L81-W93 HydrophobicContact CD1-CZ3 3.7Å
82	T	97.2	Very high	97.3	Very high	79 Å²	79	54.2 Å²	54.2	49%	0.485	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-37.3	178.3	-60.8	0	0	0	0	111.7	R78 E79 W80 Q85	R78-T82 WeakPolarHBondContact O-CB 3.1Å; R78-T82 PolarHBondContact O-N 2.96Å; R78-T82 PolarHBondContact O-OG1 3.46Å; E79-T82 PolarHBondContact O-N 2.78Å; W80-T82 VanDerWaalsContact C-N 3.26Å; W80-T82 PolarHBondContact O-N 3.1Å; T82-Q85 WeakPolarHBondContact O-CG 3.47Å; T82-Q85 PolarHBondContact O-NE2 2.94Å
83	V	96.6	Very high	97.4	Very high	36 Å²	36	53.3 Å²	53.3	22%	0.218	25%	0.247	C	C	.	.	H	α-helix	trans	-80.3	-50	175.3	-176.8	0	0	0	0	110.5	E79 W80 L81 Q85 R86 F87 Y303	E79-V83 PolarHBondContact O-N 3.29Å; W80-V83 PolarHBondContact O-N 3.29Å; W80-V83 VanDerWaalsContact O-N 3.14Å; L81-V83 PolarHBondContact O-N 3.39Å; V83-Q85 PolarHBondContact O-N 3.34Å; V83-R86 VanDerWaalsContact O-CG 3.26Å; V83-R86 WeakPolarHBondContact O-CG 3.43Å; V83-R86 PolarHBondContact O-N 3.5Å; V83-R86 PolarHBondContact O-NE 3.12Å; V83-F87 HydrophobicContact CG1-CE2 4.45Å; V83-Y303 HydrophobicContact CB-CD1 4.37Å; V83-Y303 HydrophobicContact CB-CG 4.34Å; V83-Y303 HydrophobicContact CG1-CD1 3.62Å; V83-Y303 HydrophobicContact CG1-CE1 3.9Å; V83-Y303 HydrophobicContact CG1-CG 3.94Å
84	M	96.3	Very high	97.4	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-75.3	-19.3	-166.4	-71.4	-58.9	-65.9	0	0	115.3	E51 W80 L81 R86 F87 Y88 Y303	E51-M84 HydrophobicContact CG-CE 4.16Å; E51-M84 HydrophobicContact CG-SD 4.4Å; W80-M84 HydrophobicContact CD2-CB 4.17Å; W80-M84 HydrophobicContact CD2-CG 3.81Å; W80-M84 VanDerWaalsContact CE2-CG 3.45Å; W80-M84 HydrophobicContact CE3-CB 4.31Å; W80-M84 HydrophobicContact CE3-CG 4.44Å; W80-M84 HydrophobicContact CG-CG 4.16Å; W80-M84 HydrophobicContact CH2-CB 4.36Å; W80-M84 HydrophobicContact CH2-CG 4.45Å; W80-M84 HydrophobicContact CZ2-CB 4.2Å; W80-M84 HydrophobicContact CZ2-CE 4.34Å; W80-M84 HydrophobicContact CZ2-CG 3.81Å; W80-M84 HydrophobicContact CZ3-CB 4.4Å; W80-M84 WeakPolarHBondContact O-CB 3.41Å; W80-M84 WeakPolarHBondContact O-CG 3.47Å; W80-M84 PolarHBondContact O-N 3.46Å; L81-M84 PolarHBondContact O-N 3.19Å; M84-R86 PolarHBondContact O-N 2.65Å; M84-F87 HydrophobicContact CE-CB 4.31Å; M84-F87 HydrophobicContact CE-CD2 4.19Å; M84-F87 PolarHBondContact O-N 3.45Å; M84-F87 HydrophobicContact SD-CD2 3.74Å; M84-F87 HydrophobicContact SD-CE2 4.21Å; M84-Y88 HydrophobicContact CB-CD2 3.85Å; M84-Y88 HydrophobicContact CB-CE2 3.78Å; M84-Y88 HydrophobicContact CE-CD2 4.19Å; M84-Y88 HydrophobicContact CE-CE2 3.47Å; M84-Y88 VanDerWaalsContact CE-CE2 3.47Å; M84-Y88 HydrophobicContact CG-CE2 4.37Å; M84-Y88 WeakPolarHBondContact O-CD2 3.45Å; M84-Y88 PolarHBondContact O-N 3.18Å; M84-Y88 VanDerWaalsContact O-N 3.13Å; M84-Y303 HydrophobicContact CG-CD2 4.24Å; M84-Y303 HydrophobicContact SD-CD2 3.62Å; M84-Y303 HydrophobicContact SD-CE2 3.51Å; M84-Y303 VanDerWaalsContact SD-CE2 3.51Å
85	Q	96.6	Very high	97.3	Very high	113 Å²	113	61.5 Å²	61.5	53%	0.528	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.9	173.9	65.4	-178.3	-38.6	0	0	114.1	L81 T82 V83 V91	L81-Q85 VanDerWaalsContact O-CB 3.31Å; L81-Q85 WeakPolarHBondContact O-CB 3.45Å; L81-Q85 WeakPolarHBondContact O-CG 3.3Å; L81-Q85 PolarHBondContact O-N 3.15Å; T82-Q85 WeakPolarHBondContact O-CG 3.47Å; T82-Q85 PolarHBondContact O-NE2 2.94Å; V83-Q85 PolarHBondContact O-N 3.34Å; Q85-V91 HydrophobicContact CB-CB 4.25Å; Q85-V91 HydrophobicContact CB-CG2 3.87Å
86	R	97.1	Very high	97.2	Very high	176 Å²	176	62.2 Å²	62.2	66%	0.664	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-20.1	177.6	79.5	-171.7	69.3	-165.9	-2.8	113.9	V83 M84	V83-R86 VanDerWaalsContact O-CG 3.26Å; V83-R86 WeakPolarHBondContact O-CG 3.43Å; V83-R86 PolarHBondContact O-N 3.5Å; V83-R86 PolarHBondContact O-NE 3.12Å; M84-R86 PolarHBondContact O-N 2.65Å
87	F	97.3	Very high	96.7	Very high	93 Å²	93	66.1 Å²	66.1	41%	0.408	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-34.9	-177.8	-61.6	-77.2	0	0	0	111.7	K57 D58 V83 M84	K57-F87 CarbonylContact C-O 3.56Å; K57-F87 VanDerWaalsContact C-O 3.23Å; K57-F87 HydrophobicContact CB-CB 4.21Å; K57-F87 WeakPolarHBondContact CB-O 3.12Å; D58-F87 PolarHBondContact N-O 3.1Å; V83-F87 HydrophobicContact CG1-CE2 4.45Å; M84-F87 HydrophobicContact CE-CB 4.31Å; M84-F87 HydrophobicContact CE-CD2 4.19Å; M84-F87 PolarHBondContact O-N 3.45Å; M84-F87 HydrophobicContact SD-CD2 3.74Å; M84-F87 HydrophobicContact SD-CE2 4.21Å
88	Y	97.6	Very high	96.4	Very high	9 Å²	9	72.3 Å²	72.3	4%	0.035	33%	0.331	C	S	.	.	S	Bend	trans	-77.2	150.3	178.2	-72.2	-61.8	0	0	0	112.1	K57 I60 V62 W80 M84 Y90	K57-Y88 HydrophobicContact CB-CD1 4.12Å; K57-Y88 HydrophobicContact CB-CE1 4.22Å; K57-Y88 HydrophobicContact CD-CE1 3.83Å; K57-Y88 HydrophobicContact CG-CE1 4.49Å; K57-Y88 WeakPolarHBondContact O-CA 3.24Å; K57-Y88 WeakPolarHBondContact O-CD1 3.36Å; I60-Y88 HydrophobicContact CB-CD1 3.66Å; I60-Y88 HydrophobicContact CB-CE1 3.84Å; I60-Y88 HydrophobicContact CD1-CE1 4.23Å; I60-Y88 HydrophobicContact CG2-CD1 3.58Å; I60-Y88 HydrophobicContact CG2-CE1 3.56Å; V62-Y88 HydrophobicContact CG2-CD1 4.07Å; V62-Y88 HydrophobicContact CG2-CD2 3.74Å; V62-Y88 HydrophobicContact CG2-CE1 4.2Å; V62-Y88 HydrophobicContact CG2-CE2 3.89Å; V62-Y88 HydrophobicContact CG2-CG 3.84Å; W80-Y88 HydrophobicContact CH2-CD2 4.37Å; W80-Y88 AromaticContact CH2-CE2 3.39Å; W80-Y88 HydrophobicContact CH2-CE2 3.39Å; W80-Y88 AromaticContact CH2-CZ 3.94Å; W80-Y88 AromaticContact CZ2-CE2 3.79Å; W80-Y88 HydrophobicContact CZ2-CE2 3.79Å; W80-Y88 HydrophobicContact CZ3-CE2 4.21Å; M84-Y88 HydrophobicContact CB-CD2 3.85Å; M84-Y88 HydrophobicContact CB-CE2 3.78Å; M84-Y88 HydrophobicContact CE-CD2 4.19Å; M84-Y88 HydrophobicContact CE-CE2 3.47Å; M84-Y88 VanDerWaalsContact CE-CE2 3.47Å; M84-Y88 HydrophobicContact CG-CE2 4.37Å; M84-Y88 WeakPolarHBondContact O-CD2 3.45Å; M84-Y88 PolarHBondContact O-N 3.18Å; M84-Y88 VanDerWaalsContact O-N 3.13Å; Y88-Y90 PolarHBondContact O-N 2.94Å
89	H	97.5	Very high	96.2	Very high	108 Å²	108	70 Å²	70	50%	0.5	33%	0.33	S	S	.	.	S	Bend	trans	-54.3	-42.5	176.2	-174.7	62.4	0	0	0	112.3	K57 D58 I60 S61 R133	K57-H89 PolarHBondContact O-N 2.58Å; D58-H89 VanDerWaalsContact O-CB 3.25Å; D58-H89 WeakPolarHBondContact O-CB 3.38Å; D58-H89 PolarHBondContact O-ND1 3.47Å; I60-H89 VanDerWaalsContact O-CB 3.29Å; I60-H89 WeakPolarHBondContact O-CB 2.85Å; I60-H89 PolarHBondContact O-N 3.47Å; S61-H89 PolarHBondContact OG-CD2 2.73Å; H89-R133 PolarHBondContact CD2-NH2 3.23Å; H89-R133 PolarHBondContact NE2-NH2 3.03Å; H89-R133 VanDerWaalsContact NE2-NH2 3.1Å
90	Y	98.1	Very high	95.9	Very high	95 Å²	95	68.7 Å²	68.7	37%	0.373	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	149.4	179.6	-175.8	-89.7	0	0	0	110.2	S61 V62 Y88 E92 F129 R133	S61-Y90 CarbonylContact C-O 3.55Å; S61-Y90 VanDerWaalsContact CA-O 3.25Å; S61-Y90 WeakPolarHBondContact CA-O 3.49Å; V62-Y90 PolarHBondContact N-O 3.09Å; Y88-Y90 PolarHBondContact O-N 2.94Å; Y90-E92 HydrophobicContact CE1-CB 3.91Å; Y90-E92 PolarHBondContact OH-OE2 2.91Å; Y90-E92 VanDerWaalsContact OH-OE2 3.06Å; Y90-F129 HydrophobicContact CD1-CE2 4.22Å; Y90-F129 AromaticContact CD1-CZ 3.64Å; Y90-F129 HydrophobicContact CD1-CZ 3.64Å; Y90-F129 AromaticContact CE1-CE2 3.85Å; Y90-F129 HydrophobicContact CE1-CE2 3.85Å; Y90-F129 AromaticContact CE1-CZ 3.74Å; Y90-F129 HydrophobicContact CE1-CZ 3.74Å; Y90-R133 VanDerWaalsContact CB-NH2 3.3Å
91	V	98	Very high	95.7	Very high	30 Å²	30	71.4 Å²	71.4	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119	174.6	174.1	0	0	0	0	109.5	V62 L81 Q85	V62-V91 HydrophobicContact CB-CG2 4.28Å; V62-V91 CarbonylContact O-C 3.49Å; V62-V91 WeakPolarHBondContact O-CA 3.15Å; L81-V91 HydrophobicContact CB-CG1 4.47Å; L81-V91 HydrophobicContact CD2-CG1 3.66Å; L81-V91 HydrophobicContact CG-CG1 4.42Å; Q85-V91 HydrophobicContact CB-CB 4.25Å; Q85-V91 HydrophobicContact CB-CG2 3.87Å
92	E	98	Very high	95.5	Very high	40 Å²	40	71.9 Å²	71.9	19%	0.187	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.7	167	-176.2	71.2	-175.8	0	0	108.6	V62 W63 A64 Y90 R94 F129	V62-E92 PolarHBondContact O-N 3.13Å; W63-E92 HydrophobicContact CG-CB 4.33Å; W63-E92 HydrophobicContact CG-CG 4.48Å; A64-E92 PolarHBondContact N-O 3.49Å; Y90-E92 HydrophobicContact CE1-CB 3.91Å; Y90-E92 PolarHBondContact OH-OE2 2.91Å; Y90-E92 VanDerWaalsContact OH-OE2 3.06Å; E92-R94 HydrophobicContact CG-CG 4.04Å; E92-R94 IonicContact OE1-CZ 3.37Å; E92-R94 IonicContact OE1-NH1 2.82Å; E92-R94 PolarHBondContact OE1-NH1 2.83Å; E92-F129 HydrophobicContact CB-CD2 4.48Å; E92-F129 HydrophobicContact CB-CE2 3.93Å; E92-F129 HydrophobicContact CB-CZ 4.06Å; E92-F129 HydrophobicContact CG-CD2 4.46Å; E92-F129 HydrophobicContact CG-CE2 4.27Å
93	W	97.6	Very high	95.3	Very high	69 Å²	69	72.7 Å²	72.7	26%	0.261	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.9	-179.4	177	-131.7	0	0	0	111.8	A64 T66 T74 L77 R78 L81 P95	A64-W93 HydrophobicContact CB-CE3 3.77Å; A64-W93 HydrophobicContact CB-CZ3 4.02Å; T66-W93 HydrophobicContact CG2-CH2 3.42Å; T66-W93 VanDerWaalsContact CG2-CH2 3.42Å; T66-W93 HydrophobicContact CG2-CZ2 4.19Å; T66-W93 HydrophobicContact CG2-CZ3 4Å; T74-W93 HydrophobicContact CG2-CH2 4.44Å; T74-W93 HydrophobicContact CG2-CZ2 4.11Å; L77-W93 HydrophobicContact CB-CH2 3.96Å; L77-W93 HydrophobicContact CB-CZ3 4.31Å; L77-W93 HydrophobicContact CD2-CH2 3.86Å; L77-W93 HydrophobicContact CD2-CZ3 3.5Å; L77-W93 VanDerWaalsContact CD2-CZ3 3.5Å; L77-W93 HydrophobicContact CG-CH2 3.85Å; L77-W93 HydrophobicContact CG-CZ3 3.67Å; R78-W93 HydrophobicContact CB-CZ2 4.2Å; L81-W93 HydrophobicContact CD1-CB 4.41Å; L81-W93 HydrophobicContact CD1-CD2 3.63Å; L81-W93 HydrophobicContact CD1-CE3 3.26Å; L81-W93 HydrophobicContact CD1-CG 4.16Å; L81-W93 HydrophobicContact CD1-CH2 4.36Å; L81-W93 HydrophobicContact CD1-CZ3 3.7Å; W93-P95 HydrophobicContact CD2-CG 4.4Å; W93-P95 HydrophobicContact CH2-CB 4.26Å; W93-P95 HydrophobicContact CZ2-CB 3.6Å; W93-P95 HydrophobicContact CZ2-CG 4.16Å
94	R	97.1	Very high	94.8	Very high	129 Å²	129	74.1 Å²	74.1	49%	0.487	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	73.4	-174.5	-53.4	-178.1	79.5	92.5	-0.7	111.1	A64 A65 T66 E92	A64-R94 PolarHBondContact O-N 3.3Å; A65-R94 WeakPolarHBondContact CA-O 3.2Å; A65-R94 HydrophobicContact CB-CB 4.25Å; T66-R94 PolarHBondContact N-O 3.3Å; E92-R94 HydrophobicContact CG-CG 4.04Å; E92-R94 IonicContact OE1-CZ 3.37Å; E92-R94 IonicContact OE1-NH1 2.82Å; E92-R94 PolarHBondContact OE1-NH1 2.83Å
95	P	95.5	Very high	94.7	Very high	56 Å²	56	75.6 Å²	75.6	36%	0.364	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	144.3	177	31.6	-32.9	0	0	0	111.6	T66 T74 W93	T66-P95 HydrophobicContact CG2-CB 4.32Å; T74-P95 HydrophobicContact CG2-CB 4.22Å; W93-P95 HydrophobicContact CD2-CG 4.4Å; W93-P95 HydrophobicContact CH2-CB 4.26Å; W93-P95 HydrophobicContact CZ2-CB 3.6Å; W93-P95 HydrophobicContact CZ2-CG 4.16Å
96	M	93.4	Very high	94.4	Very high	56 Å²	56	78.1 Å²	78.1	28%	0.276	40%	0.401	S	S	.	.			trans	-136.9	107.7	167.9	-170.6	172.2	69.3	0	0	109.4	T66 D67 Q98 Y118	T66-M96 PolarHBondContact O-N 3Å; D67-M96 HydrophobicContact CB-CB 4.33Å; D67-M96 HydrophobicContact CB-CE 3.51Å; M96-Q98 WeakPolarHBondContact CG-O 3.38Å; M96-Y118 HydrophobicContact CE-CE1 4.13Å; M96-Y118 HydrophobicContact CE-CE2 4.38Å; M96-Y118 WeakPolarHBondContact CE-OH 3.13Å
97	D	87.1	Confident	94.1	Very high	96 Å²	96	70.4 Å²	70.4	51%	0.513	38%	0.376	S	S	.	.			trans	-79.9	-20	-176.2	-64.9	-33.1	0	0	0	113
98	Q	91.1	Very high	93.9	Very high	129 Å²	129	67.2 Å²	67.2	60%	0.603	37%	0.365	S	S	*	.			trans	-138.4	146	-178.6	-68.8	-61.8	-37.1	0	0	111.9	M96	M96-Q98 WeakPolarHBondContact CG-O 3.38Å
99	P	93.6	Very high	93.7	Very high	64 Å²	64	68.1 Å²	68.1	42%	0.416	37%	0.369	S	S	.	.			cis	-75.6	162.6	-3.8	31.1	-31.2	0	0	0	111.7	H68	H68-P99 WeakPolarHBondContact CA-O 3.45Å; H68-P99 PolarHBondContact CD2-O 3.15Å; H68-P99 PolarHBondContact N-O 3.35Å; H68-P99 WeakPolarHBondContact NE2-CG 3.32Å
100	T	92.9	Very high	93.6	Very high	51 Å²	51	64.6 Å²	64.6	31%	0.313	35%	0.353	S	S	.	.	S	Bend	trans	-87	-8.2	178.7	60.8	0	0	0	0	113.6	H68 N69	H68-T100 CarbonylContact C-O 3.52Å; H68-T100 VanDerWaalsContact C-O 3.31Å; H68-T100 VanDerWaalsContact O-O 3.04Å; N69-T100 WeakPolarHBondContact O-CB 3.5Å; N69-T100 VanDerWaalsContact O-CG2 3.25Å; N69-T100 WeakPolarHBondContact O-CG2 3.32Å
101	S	93.6	Very high	93.3	Very high	57 Å²	57	64.4 Å²	64.4	40%	0.399	35%	0.351	S	S	.	.	S	Bend	trans	-151	155.2	-176.6	54	0	0	0	0	111.6	H68 E105	H68-S101 PolarHBondContact CD2-O 3.47Å; S101-E105 WeakPolarHBondContact CA-OE1 3.36Å; S101-E105 WeakPolarHBondContact CB-OE1 3.49Å
102	Y	93.8	Very high	93.2	Very high	17 Å²	17	63.8 Å²	63.8	7%	0.067	35%	0.348	C	S	.	.			trans	-83.8	144.5	172.9	-70	-95.1	0	0	0	111	D67 H68 G104 E105 P112 R115 Y118	D67-Y102 PolarHBondContact OD2-OH 2.83Å; H68-Y102 HydrophobicContact CB-CD2 4.41Å; H68-Y102 HydrophobicContact CB-CE2 3.94Å; H68-Y102 AromaticContact CD2-CD2 3.8Å; H68-Y102 AromaticContact CD2-CE2 3.72Å; H68-Y102 AromaticContact CE1-CE1 3.62Å; H68-Y102 AromaticContact CE1-CE2 3.86Å; H68-Y102 AromaticContact CE1-CZ 3.38Å; H68-Y102 AromaticContact CG-CE2 3.52Å; H68-Y102 AromaticContact CG-CZ 3.85Å; H68-Y102 AromaticContact ND1-CE2 3.61Å; H68-Y102 AromaticContact ND1-CZ 3.45Å; H68-Y102 PolarHBondContact ND1-OH 3Å; H68-Y102 AromaticContact NE2-CD1 3.92Å; H68-Y102 AromaticContact NE2-CE1 3.69Å; H68-Y102 AromaticContact NE2-CE2 3.92Å; H68-Y102 AromaticContact NE2-CZ 3.71Å; Y102-G104 PolarHBondContact O-N 3.33Å; Y102-E105 WeakPolarHBondContact CD2-OE2 3.31Å; Y102-E105 PolarHBondContact N-OE1 2.95Å; Y102-E105 PolarHBondContact N-OE2 2.97Å; Y102-E105 WeakPolarHBondContact O-CG 3.4Å; Y102-E105 PolarHBondContact O-N 3.12Å; Y102-E105 VanDerWaalsContact O-N 3.13Å; Y102-P112 HydrophobicContact CG-CG 4.3Å; Y102-R115 HydrophobicContact CD1-CB 4.17Å; Y102-R115 HydrophobicContact CD2-CB 4.07Å; Y102-R115 HydrophobicContact CD2-CG 4.3Å; Y102-R115 VanDerWaalsContact CE1-CA 3.45Å; Y102-R115 HydrophobicContact CE1-CB 3.94Å; Y102-R115 HydrophobicContact CE2-CB 3.82Å; Y102-R115 HydrophobicContact CE2-CG 3.7Å; Y102-R115 HydrophobicContact CG-CB 4.23Å; Y102-Y118 WeakPolarHBondContact OH-CD1 3.44Å
103	A	92	Very high	93.1	Very high	96 Å²	96	67 Å²	67	79%	0.793	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	127.3	174.1	0	0	0	0	0	111	E105	A103-E105 VanDerWaalsContact C-N 3.31Å; A103-E105 PolarHBondContact O-N 2.74Å
104	G	87.8	Confident	93	Very high	67 Å²	67	66.3 Å²	66.3	69%	0.691	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	11.7	179.7	0	0	0	0	0	115	Y102	Y102-G104 PolarHBondContact O-N 3.33Å
105	E	92.8	Very high	92.9	Very high	37 Å²	37	61 Å²	61	17%	0.173	35%	0.352	C	S	.	.			trans	-75.8	139.4	173.6	83.5	-177.3	-179.7	0	0	112.5	R37 S101 Y102 A103 G107 H110 P112	R37-E105 IonicContact CZ-OE2 2.97Å; R37-E105 IonicContact NH1-OE2 2.63Å; R37-E105 PolarHBondContact NH1-OE2 3.37Å; R37-E105 VanDerWaalsContact NH2-CD 3.28Å; R37-E105 IonicContact NH2-OE1 3.74Å; R37-E105 PolarHBondContact NH2-OE1 2.82Å; R37-E105 IonicContact NH2-OE2 2.91Å; R37-E105 PolarHBondContact NH2-OE2 3.25Å; S101-E105 WeakPolarHBondContact CA-OE1 3.36Å; S101-E105 WeakPolarHBondContact CB-OE1 3.49Å; Y102-E105 WeakPolarHBondContact CD2-OE2 3.31Å; Y102-E105 PolarHBondContact N-OE1 2.95Å; Y102-E105 PolarHBondContact N-OE2 2.97Å; Y102-E105 WeakPolarHBondContact O-CG 3.4Å; Y102-E105 PolarHBondContact O-N 3.12Å; Y102-E105 VanDerWaalsContact O-N 3.13Å; A103-E105 VanDerWaalsContact C-N 3.31Å; A103-E105 PolarHBondContact O-N 2.74Å; E105-G107 VanDerWaalsContact C-N 3.34Å; E105-H110 WeakPolarHBondContact CA-ND1 3.34Å; E105-H110 HydrophobicContact CB-CB 4.37Å; E105-P112 HydrophobicContact CB-CG 4.45Å
106	F	90.4	Very high	92.9	Very high	166 Å²	166	60.2 Å²	60.2	73%	0.728	34%	0.343	S	S	*	.	S	Bend	trans	-80.3	-17.5	178	-53.8	-62.1	0	0	0	113.4	H110	F106-H110 AromaticContact CD2-CD2 3.88Å; F106-H110 AromaticContact CD2-CE1 3.44Å; F106-H110 VanDerWaalsContact CD2-CE1 3.44Å; F106-H110 WeakPolarHBondContact CD2-CE1 3.5Å; F106-H110 AromaticContact CD2-CG 3.79Å; F106-H110 AromaticContact CD2-ND1 3.53Å; F106-H110 AromaticContact CD2-NE2 3.67Å; F106-H110 AromaticContact CE2-CE1 3.46Å; F106-H110 VanDerWaalsContact CE2-CE1 3.46Å; F106-H110 WeakPolarHBondContact CE2-CE1 3.48Å; F106-H110 AromaticContact CE2-NE2 3.65Å; F106-H110 PolarHBondContact N-ND1 2.84Å
107	G	91.7	Very high	93.1	Very high	13 Å²	13	60.8 Å²	60.8	13%	0.134	34%	0.344	C	S	.	.	S	Bend	trans	175.4	171	-174.5	0	0	0	0	0	111.5	E105 K109 H110	E105-G107 VanDerWaalsContact C-N 3.34Å; G107-K109 PolarHBondContact O-N 3.09Å; G107-K109 VanDerWaalsContact O-N 3.14Å; G107-H110 WeakPolarHBondContact O-CB 3.4Å; G107-H110 PolarHBondContact O-N 3.35Å
108	P	92.9	Very high	93.5	Very high	26 Å²	26	59.3 Å²	59.3	17%	0.169	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.5	-171.9	25.7	-34.9	0	0	0	113.9	R115 L277	P108-R115 PolarHBondContact O-NH1 3.45Å; P108-L277 HydrophobicContact CB-CD2 3.5Å; P108-L277 HydrophobicContact CB-CG 4.27Å; P108-L277 HydrophobicContact CG-CD2 3.55Å; P108-L277 HydrophobicContact CG-CG 3.97Å
109	K	93.3	Very high	93.7	Very high	28 Å²	28	53.9 Å²	53.9	12%	0.122	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	1.4	177.4	-56	-59	-71.7	-163.6	0	113.5	G107 W111 F275 D280	G107-K109 PolarHBondContact O-N 3.09Å; G107-K109 VanDerWaalsContact O-N 3.14Å; K109-W111 VanDerWaalsContact O-CD1 3.29Å; K109-F275 HydrophobicContact CB-CB 4.35Å; K109-F275 HydrophobicContact CG-CB 4.07Å; K109-D280 HydrophobicContact CD-CB 4.28Å; K109-D280 WeakPolarHBondContact CE-OD1 3.47Å; K109-D280 WeakPolarHBondContact CE-OD2 3.43Å; K109-D280 IonicContact NZ-OD1 3.96Å; K109-D280 PolarHBondContact NZ-OD1 3.41Å; K109-D280 IonicContact NZ-OD2 3.56Å; K109-D280 PolarHBondContact NZ-OD2 3.33Å
110	H	94.3	Very high	94	Very high	35 Å²	35	50.9 Å²	50.9	16%	0.162	29%	0.288	C	S	.	.			trans	-73.5	141.1	171.8	-176.2	-140.2	0	0	0	111.2	E105 F106 G107 P112 R115 P273	E105-H110 WeakPolarHBondContact CA-ND1 3.34Å; E105-H110 HydrophobicContact CB-CB 4.37Å; F106-H110 AromaticContact CD2-CD2 3.88Å; F106-H110 AromaticContact CD2-CE1 3.44Å; F106-H110 VanDerWaalsContact CD2-CE1 3.44Å; F106-H110 WeakPolarHBondContact CD2-CE1 3.5Å; F106-H110 AromaticContact CD2-CG 3.79Å; F106-H110 AromaticContact CD2-ND1 3.53Å; F106-H110 AromaticContact CD2-NE2 3.67Å; F106-H110 AromaticContact CE2-CE1 3.46Å; F106-H110 VanDerWaalsContact CE2-CE1 3.46Å; F106-H110 WeakPolarHBondContact CE2-CE1 3.48Å; F106-H110 AromaticContact CE2-NE2 3.65Å; F106-H110 PolarHBondContact N-ND1 2.84Å; G107-H110 WeakPolarHBondContact O-CB 3.4Å; G107-H110 PolarHBondContact O-N 3.35Å; H110-P112 VanDerWaalsContact C-CD 3.46Å; H110-P112 VanDerWaalsContact O-CD 3.23Å; H110-P112 WeakPolarHBondContact O-CD 3.39Å; H110-R115 WeakPolarHBondContact O-CD 3.29Å; H110-R115 PolarHBondContact O-NH1 2.94Å; H110-P273 HydrophobicContact CB-CB 4.19Å
111	W	93.6	Very high	94.2	Very high	90 Å²	90	52.3 Å²	52.3	34%	0.341	29%	0.29	S	S	.	.			trans	-114.9	79.2	179.1	-74.4	82.4	0	0	0	111.8	K109 R115 Y116 V119	K109-W111 VanDerWaalsContact O-CD1 3.29Å; W111-R115 HydrophobicContact CE3-CG 3.96Å; W111-R115 HydrophobicContact CZ3-CG 4.27Å; W111-Y116 HydrophobicContact CB-CD2 4.49Å; W111-Y116 HydrophobicContact CB-CE1 4.24Å; W111-Y116 HydrophobicContact CB-CE2 3.72Å; W111-Y116 WeakPolarHBondContact CB-OH 3.43Å; W111-Y116 HydrophobicContact CD2-CE1 4.01Å; W111-Y116 AromaticContact CE3-CD1 3.54Å; W111-Y116 HydrophobicContact CE3-CD1 3.54Å; W111-Y116 AromaticContact CE3-CE1 3.36Å; W111-Y116 HydrophobicContact CE3-CE1 3.36Å; W111-Y116 HydrophobicContact CE3-CG 4.24Å; W111-Y116 AromaticContact CE3-CZ 3.93Å; W111-Y116 HydrophobicContact CG-CE1 4.41Å; W111-Y116 AromaticContact CZ3-CD1 3.95Å; W111-Y116 HydrophobicContact CZ3-CD1 3.95Å; W111-Y116 AromaticContact CZ3-CE1 3.97Å; W111-Y116 HydrophobicContact CZ3-CE1 3.97Å; W111-Y116 VanDerWaalsContact O-CE2 3.3Å; W111-Y116 WeakPolarHBondContact O-CE2 3.46Å; W111-V119 HydrophobicContact CH2-CG2 4.5Å; W111-V119 HydrophobicContact CZ3-CG2 4.16Å
112	P	94.8	Very high	94.4	Very high	18 Å²	18	50.4 Å²	50.4	12%	0.117	28%	0.275	C	S	.	.			trans	-70.1	159	171	30.3	-34.6	0	0	0	111.3	Y102 E105 H110 S114 R115 Y116	Y102-P112 HydrophobicContact CG-CG 4.3Å; E105-P112 HydrophobicContact CB-CG 4.45Å; H110-P112 VanDerWaalsContact C-CD 3.46Å; H110-P112 VanDerWaalsContact O-CD 3.23Å; H110-P112 WeakPolarHBondContact O-CD 3.39Å; P112-S114 PolarHBondContact O-N 2.76Å; P112-S114 VanDerWaalsContact O-N 3.12Å; P112-R115 HydrophobicContact CG-CB 3.95Å; P112-R115 WeakPolarHBondContact O-CA 3.43Å; P112-R115 WeakPolarHBondContact O-CB 3.31Å; P112-R115 PolarHBondContact O-N 3.38Å; P112-Y116 PolarHBondContact O-N 3.01Å
113	N	95.2	Very high	94.6	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	28%	0.275	S	S	*	.	H	α-helix	trans	-54.2	-35	178.4	-71	-5.7	0	0	0	113.2	R115 Y116 E117 Y239	N113-R115 VanDerWaalsContact C-N 3.29Å; N113-R115 PolarHBondContact O-N 2.66Å; N113-Y116 PolarHBondContact O-N 2.97Å; N113-E117 WeakPolarHBondContact O-CB 3.47Å; N113-E117 PolarHBondContact O-N 3.23Å; N113-Y239 HydrophobicContact CB-CD1 4.24Å
114	S	95.3	Very high	94.9	Very high	56 Å²	56	46.5 Å²	46.5	39%	0.392	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-34.9	175.5	51.6	0	0	0	0	112.8	P112 Y118	P112-S114 PolarHBondContact O-N 2.76Å; P112-S114 VanDerWaalsContact O-N 3.12Å; S114-Y118 WeakPolarHBondContact O-CB 3.45Å; S114-Y118 PolarHBondContact O-N 3.37Å; S114-Y118 VanDerWaalsContact O-N 3.09Å
115	R	95.3	Very high	95.4	Very high	17 Å²	17	45.1 Å²	45.1	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-69.8	-48.3	173.6	-177.2	-172.3	179	155.3	1.8	111.1	R37 Y102 P108 H110 W111 P112 N113 E117 Y118 V119	R37-R115 VanDerWaalsContact NH1-CZ 3.33Å; R37-R115 VanDerWaalsContact NH1-NH1 3.11Å; Y102-R115 HydrophobicContact CD1-CB 4.17Å; Y102-R115 HydrophobicContact CD2-CB 4.07Å; Y102-R115 HydrophobicContact CD2-CG 4.3Å; Y102-R115 VanDerWaalsContact CE1-CA 3.45Å; Y102-R115 HydrophobicContact CE1-CB 3.94Å; Y102-R115 HydrophobicContact CE2-CB 3.82Å; Y102-R115 HydrophobicContact CE2-CG 3.7Å; Y102-R115 HydrophobicContact CG-CB 4.23Å; P108-R115 PolarHBondContact O-NH1 3.45Å; H110-R115 WeakPolarHBondContact O-CD 3.29Å; H110-R115 PolarHBondContact O-NH1 2.94Å; W111-R115 HydrophobicContact CE3-CG 3.96Å; W111-R115 HydrophobicContact CZ3-CG 4.27Å; P112-R115 HydrophobicContact CG-CB 3.95Å; P112-R115 WeakPolarHBondContact O-CA 3.43Å; P112-R115 WeakPolarHBondContact O-CB 3.31Å; P112-R115 PolarHBondContact O-N 3.38Å; N113-R115 VanDerWaalsContact C-N 3.29Å; N113-R115 PolarHBondContact O-N 2.66Å; R115-E117 VanDerWaalsContact C-N 3.31Å; R115-E117 PolarHBondContact O-N 3.01Å; R115-Y118 PolarHBondContact O-N 3.28Å; R115-V119 HydrophobicContact CG-CG2 4.36Å; R115-V119 WeakPolarHBondContact O-CG2 3.01Å; R115-V119 PolarHBondContact O-N 3.34Å
116	Y	96.2	Very high	95.7	Very high	40 Å²	40	43.3 Å²	43.3	16%	0.157	22%	0.215	C	C	.	.	H	α-helix	trans	-55.6	-48.2	176.1	-75.1	-61.5	0	0	0	111.3	W111 P112 N113 Y118 V119 M120 Y239 D240 D241	W111-Y116 HydrophobicContact CB-CD2 4.49Å; W111-Y116 HydrophobicContact CB-CE1 4.24Å; W111-Y116 HydrophobicContact CB-CE2 3.72Å; W111-Y116 WeakPolarHBondContact CB-OH 3.43Å; W111-Y116 HydrophobicContact CD2-CE1 4.01Å; W111-Y116 AromaticContact CE3-CD1 3.54Å; W111-Y116 HydrophobicContact CE3-CD1 3.54Å; W111-Y116 AromaticContact CE3-CE1 3.36Å; W111-Y116 HydrophobicContact CE3-CE1 3.36Å; W111-Y116 HydrophobicContact CE3-CG 4.24Å; W111-Y116 AromaticContact CE3-CZ 3.93Å; W111-Y116 HydrophobicContact CG-CE1 4.41Å; W111-Y116 AromaticContact CZ3-CD1 3.95Å; W111-Y116 HydrophobicContact CZ3-CD1 3.95Å; W111-Y116 AromaticContact CZ3-CE1 3.97Å; W111-Y116 HydrophobicContact CZ3-CE1 3.97Å; W111-Y116 VanDerWaalsContact O-CE2 3.3Å; W111-Y116 WeakPolarHBondContact O-CE2 3.46Å; P112-Y116 PolarHBondContact O-N 3.01Å; N113-Y116 PolarHBondContact O-N 2.97Å; Y116-Y118 VanDerWaalsContact C-N 3.34Å; Y116-Y118 PolarHBondContact O-N 3.04Å; Y116-V119 PolarHBondContact O-N 3.41Å; Y116-M120 WeakPolarHBondContact O-CB 2.98Å; Y116-M120 VanDerWaalsContact O-CG 3.3Å; Y116-M120 WeakPolarHBondContact O-CG 3.28Å; Y116-M120 PolarHBondContact O-N 3.43Å; Y116-Y239 WeakPolarHBondContact CD2-O 3.41Å; Y116-D240 HydrophobicContact CE1-CB 4.23Å; Y116-D240 PolarHBondContact OH-OD2 3.3Å; Y116-D241 HydrophobicContact CD1-CB 4.27Å
117	E	97.1	Very high	96.1	Very high	67 Å²	67	35.5 Å²	35.5	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-58	-46.8	178.1	-175.5	174.9	118.6	0	0	111.9	N113 R115 M120 K121 Y229 Y239	N113-E117 WeakPolarHBondContact O-CB 3.47Å; N113-E117 PolarHBondContact O-N 3.23Å; R115-E117 VanDerWaalsContact C-N 3.31Å; R115-E117 PolarHBondContact O-N 3.01Å; E117-M120 PolarHBondContact O-N 3.47Å; E117-K121 HydrophobicContact CG-CD 4.21Å; E117-K121 WeakPolarHBondContact O-CG 3.29Å; E117-K121 PolarHBondContact O-N 3.12Å; E117-K121 WeakPolarHBondContact OE1-CE 3.38Å; E117-K121 IonicContact OE1-NZ 3.76Å; E117-K121 PolarHBondContact OE1-NZ 3.28Å; E117-Y229 HydrophobicContact CG-CD2 4.49Å; E117-Y229 HydrophobicContact CG-CE2 3.73Å; E117-Y239 HydrophobicContact CB-CE1 4.08Å; E117-Y239 WeakPolarHBondContact CB-OH 3.34Å; E117-Y239 WeakPolarHBondContact CG-OH 3.33Å; E117-Y239 PolarHBondContact OE2-OH 3.34Å
118	Y	96.1	Very high	96.4	Very high	66 Å²	66	37.9 Å²	37.9	26%	0.259	19%	0.19	S	C	.	.	H	α-helix	trans	-66	-44.9	-178.1	-168.8	-101.4	0	0	0	112.3	D67 M96 Y102 S114 R115 Y116 M120 K121 L122	D67-Y118 HydrophobicContact CB-CE1 3.88Å; D67-Y118 VanDerWaalsContact CG-CE1 3.44Å; D67-Y118 WeakPolarHBondContact OD2-CD1 3.37Å; D67-Y118 WeakPolarHBondContact OD2-CE1 3.5Å; M96-Y118 HydrophobicContact CE-CE1 4.13Å; M96-Y118 HydrophobicContact CE-CE2 4.38Å; M96-Y118 WeakPolarHBondContact CE-OH 3.13Å; Y102-Y118 WeakPolarHBondContact OH-CD1 3.44Å; S114-Y118 WeakPolarHBondContact O-CB 3.45Å; S114-Y118 PolarHBondContact O-N 3.37Å; S114-Y118 VanDerWaalsContact O-N 3.09Å; R115-Y118 PolarHBondContact O-N 3.28Å; Y116-Y118 VanDerWaalsContact C-N 3.34Å; Y116-Y118 PolarHBondContact O-N 3.04Å; Y118-M120 VanDerWaalsContact C-N 3.33Å; Y118-M120 PolarHBondContact O-N 3.47Å; Y118-K121 WeakPolarHBondContact O-CB 3.18Å; Y118-K121 PolarHBondContact O-N 3.48Å; Y118-K121 VanDerWaalsContact O-N 3.15Å; Y118-L122 HydrophobicContact CD1-CD1 3.96Å; Y118-L122 HydrophobicContact CD1-CG 4.18Å; Y118-L122 HydrophobicContact CE1-CD1 3.6Å; Y118-L122 HydrophobicContact CE1-CD2 4.11Å; Y118-L122 HydrophobicContact CE1-CG 3.85Å; Y118-L122 WeakPolarHBondContact O-CG 3.41Å; Y118-L122 PolarHBondContact O-N 3.43Å
119	V	96.3	Very high	96.7	Very high	15 Å²	15	37.9 Å²	37.9	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-42.3	175.7	171.3	0	0	0	0	110.9	W111 R115 Y116 K121 L122 K123	W111-V119 HydrophobicContact CH2-CG2 4.5Å; W111-V119 HydrophobicContact CZ3-CG2 4.16Å; R115-V119 HydrophobicContact CG-CG2 4.36Å; R115-V119 WeakPolarHBondContact O-CG2 3.01Å; R115-V119 PolarHBondContact O-N 3.34Å; Y116-V119 PolarHBondContact O-N 3.41Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 2.92Å; V119-L122 PolarHBondContact O-N 3.11Å; V119-K123 HydrophobicContact CG1-CD 4.21Å; V119-K123 HydrophobicContact CG1-CG 4.42Å; V119-K123 WeakPolarHBondContact O-CG 3.5Å; V119-K123 PolarHBondContact O-N 2.97Å
120	M	98.1	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-41.1	174.7	-75.2	-170	-70.5	0	0	112.3	Y116 E117 Y118 K123 Q124 Y229 Y239 D241 V244	Y116-M120 WeakPolarHBondContact O-CB 2.98Å; Y116-M120 VanDerWaalsContact O-CG 3.3Å; Y116-M120 WeakPolarHBondContact O-CG 3.28Å; Y116-M120 PolarHBondContact O-N 3.43Å; E117-M120 PolarHBondContact O-N 3.47Å; Y118-M120 VanDerWaalsContact C-N 3.33Å; Y118-M120 PolarHBondContact O-N 3.47Å; M120-K123 PolarHBondContact O-N 2.93Å; M120-Q124 WeakPolarHBondContact O-CB 3.19Å; M120-Q124 PolarHBondContact O-N 3.11Å; M120-Y229 HydrophobicContact CB-CD2 4.22Å; M120-Y239 HydrophobicContact CE-CD1 4.31Å; M120-Y239 HydrophobicContact CE-CE1 3.54Å; M120-Y239 HydrophobicContact CE-CE2 3.9Å; M120-Y239 VanDerWaalsContact CE-OH 3.28Å; M120-Y239 WeakPolarHBondContact CE-OH 3.07Å; M120-D241 HydrophobicContact CG-CB 3.49Å; M120-D241 VanDerWaalsContact CG-CB 3.49Å; M120-D241 HydrophobicContact SD-CB 4.25Å; M120-V244 HydrophobicContact CE-CG2 4.44Å; M120-V244 HydrophobicContact SD-CB 3.71Å; M120-V244 HydrophobicContact SD-CG1 3.72Å; M120-V244 HydrophobicContact SD-CG2 3.82Å
121	K	98.1	Very high	97.1	Very high	81 Å²	81	38.5 Å²	38.5	35%	0.352	19%	0.187	S	C	.	.	H	α-helix	trans	-62.1	-41.1	173.9	-75.5	170.8	174.5	172.7	0	112.1	E117 Y118 V119 Q124 A125 Y229	E117-K121 HydrophobicContact CG-CD 4.21Å; E117-K121 WeakPolarHBondContact O-CG 3.29Å; E117-K121 PolarHBondContact O-N 3.12Å; E117-K121 WeakPolarHBondContact OE1-CE 3.38Å; E117-K121 IonicContact OE1-NZ 3.76Å; E117-K121 PolarHBondContact OE1-NZ 3.28Å; Y118-K121 WeakPolarHBondContact O-CB 3.18Å; Y118-K121 PolarHBondContact O-N 3.48Å; Y118-K121 VanDerWaalsContact O-N 3.15Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 2.92Å; K121-Q124 PolarHBondContact O-N 3.02Å; K121-A125 WeakPolarHBondContact O-CB 3.38Å; K121-A125 PolarHBondContact O-N 3.34Å; K121-Y229 HydrophobicContact CD-CE1 4.26Å; K121-Y229 VanDerWaalsContact CE-OH 3.26Å; K121-Y229 WeakPolarHBondContact CE-OH 3.16Å; K121-Y229 HydrophobicContact CG-CD1 3.64Å; K121-Y229 HydrophobicContact CG-CD2 4.14Å; K121-Y229 HydrophobicContact CG-CE1 3.84Å; K121-Y229 HydrophobicContact CG-CE2 4.32Å; K121-Y229 HydrophobicContact CG-CG 3.79Å
122	L	97.9	Very high	97.3	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.089	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-47.4	174.6	-68.3	-179.1	0	0	0	111.7	I35 W63 A65 Y118 V119 Q124 A125 A126	I35-L122 HydrophobicContact CD1-CB 3.81Å; I35-L122 HydrophobicContact CG1-CB 4.25Å; I35-L122 HydrophobicContact CG2-CD1 3.71Å; W63-L122 HydrophobicContact CH2-CB 4.13Å; W63-L122 HydrophobicContact CH2-CD2 4.03Å; W63-L122 WeakPolarHBondContact CH2-O 3.28Å; A65-L122 HydrophobicContact CB-CD1 4.34Å; A65-L122 HydrophobicContact CB-CD2 4.04Å; Y118-L122 HydrophobicContact CD1-CD1 3.96Å; Y118-L122 HydrophobicContact CD1-CG 4.18Å; Y118-L122 HydrophobicContact CE1-CD1 3.6Å; Y118-L122 HydrophobicContact CE1-CD2 4.11Å; Y118-L122 HydrophobicContact CE1-CG 3.85Å; Y118-L122 WeakPolarHBondContact O-CG 3.41Å; Y118-L122 PolarHBondContact O-N 3.43Å; V119-L122 PolarHBondContact O-N 3.11Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.78Å; L122-A125 WeakPolarHBondContact O-CB 3.39Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-A125 VanDerWaalsContact O-N 3.11Å; L122-A126 PolarHBondContact O-N 2.95Å
123	K	98.3	Very high	97.3	Very high	14 Å²	14	46 Å²	46	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-41.9	176.4	-72.4	-178.7	175.4	179.3	0	111.3	I35 V119 M120 A126 L127 Y140 F228 D241	I35-K123 HydrophobicContact CD1-CB 4.44Å; I35-K123 HydrophobicContact CD1-CG 3.58Å; V119-K123 HydrophobicContact CG1-CD 4.21Å; V119-K123 HydrophobicContact CG1-CG 4.42Å; V119-K123 WeakPolarHBondContact O-CG 3.5Å; V119-K123 PolarHBondContact O-N 2.97Å; M120-K123 PolarHBondContact O-N 2.93Å; K123-A126 PolarHBondContact O-N 2.95Å; K123-L127 PolarHBondContact O-N 3.24Å; K123-Y140 HydrophobicContact CB-CE1 3.99Å; K123-Y140 HydrophobicContact CG-CD1 4.25Å; K123-Y140 HydrophobicContact CG-CE1 4.04Å; K123-Y140 PolarHBondContact O-OH 2.97Å; K123-F228 HydrophobicContact CB-CB 3.92Å; K123-F228 HydrophobicContact CB-CD1 3.78Å; K123-F228 HydrophobicContact CB-CD2 3.84Å; K123-F228 HydrophobicContact CB-CE1 4.22Å; K123-F228 HydrophobicContact CB-CE2 4.28Å; K123-F228 HydrophobicContact CB-CG 3.57Å; K123-F228 HydrophobicContact CB-CZ 4.45Å; K123-F228 HydrophobicContact CD-CD1 3.77Å; K123-F228 HydrophobicContact CD-CE1 3.81Å; K123-F228 HydrophobicContact CD-CG 4.46Å; K123-F228 HydrophobicContact CG-CD1 4.38Å; K123-D241 IonicContact NZ-OD2 3.77Å; K123-D241 PolarHBondContact NZ-OD2 3.1Å
124	Q	98.6	Very high	97.4	Very high	18 Å²	18	51.8 Å²	51.8	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-41.6	174.6	-174.5	62.8	48.2	0	0	112.6	M120 K121 L122 A126 L127 N128 F228 Y229	M120-Q124 WeakPolarHBondContact O-CB 3.19Å; M120-Q124 PolarHBondContact O-N 3.11Å; K121-Q124 PolarHBondContact O-N 3.02Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.78Å; Q124-A126 VanDerWaalsContact C-N 3.32Å; Q124-A126 PolarHBondContact O-N 3.25Å; Q124-L127 PolarHBondContact O-N 2.74Å; Q124-N128 PolarHBondContact NE2-OD1 2.85Å; Q124-N128 WeakPolarHBondContact O-CB 3.3Å; Q124-N128 VanDerWaalsContact O-CG 3.24Å; Q124-N128 PolarHBondContact O-N 3.03Å; Q124-N128 PolarHBondContact O-ND2 3.42Å; Q124-F228 HydrophobicContact CB-CB 4.26Å; Q124-Y229 VanDerWaalsContact CG-O 3.26Å; Q124-Y229 WeakPolarHBondContact CG-O 3.28Å; Q124-Y229 PolarHBondContact OE1-O 2.82Å
125	A	98.6	Very high	97.5	Very high	37 Å²	37	49.6 Å²	49.6	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-41.6	177.6	0	0	0	0	0	111.4	W63 K121 L122 N128 F129	W63-A125 HydrophobicContact CH2-CB 4.21Å; W63-A125 HydrophobicContact CZ2-CB 3.73Å; K121-A125 WeakPolarHBondContact O-CB 3.38Å; K121-A125 PolarHBondContact O-N 3.34Å; L122-A125 WeakPolarHBondContact O-CB 3.39Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-A125 VanDerWaalsContact O-N 3.11Å; A125-N128 PolarHBondContact O-N 2.88Å; A125-F129 WeakPolarHBondContact O-CB 3.14Å; A125-F129 PolarHBondContact O-N 3.25Å
126	A	98.6	Very high	97.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-43.4	173.4	0	0	0	0	0	112.3	A33 W63 L122 K123 Q124 N128 F129 A130 I138 Y140	A33-A126 HydrophobicContact CB-CB 3.78Å; W63-A126 HydrophobicContact CD2-CB 3.68Å; W63-A126 HydrophobicContact CE3-CB 3.52Å; W63-A126 HydrophobicContact CG-CB 4.2Å; W63-A126 HydrophobicContact CH2-CB 4.33Å; W63-A126 HydrophobicContact CZ2-CB 4.48Å; W63-A126 HydrophobicContact CZ3-CB 3.87Å; L122-A126 PolarHBondContact O-N 2.95Å; K123-A126 PolarHBondContact O-N 2.95Å; Q124-A126 VanDerWaalsContact C-N 3.32Å; Q124-A126 PolarHBondContact O-N 3.25Å; A126-N128 PolarHBondContact O-N 3.3Å; A126-F129 WeakPolarHBondContact O-CB 3.16Å; A126-F129 PolarHBondContact O-N 3.02Å; A126-A130 PolarHBondContact O-N 3.03Å; A126-I138 HydrophobicContact CB-CD1 4.15Å; A126-Y140 HydrophobicContact CB-CE1 4.13Å
127	L	98.6	Very high	97.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-45	176.4	-176.3	56.4	0	0	0	111.6	K123 Q124 F129 A130 R131 I138 Y140 L216 L218 F228	K123-L127 PolarHBondContact O-N 3.24Å; Q124-L127 PolarHBondContact O-N 2.74Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 2.69Å; L127-A130 PolarHBondContact O-N 3.49Å; L127-R131 WeakPolarHBondContact O-CG 3.26Å; L127-R131 PolarHBondContact O-N 2.77Å; L127-I138 HydrophobicContact CD1-CG2 4.13Å; L127-Y140 WeakPolarHBondContact CB-OH 3.21Å; L127-Y140 PolarHBondContact N-OH 3.06Å; L127-L216 HydrophobicContact CD1-CD2 4.39Å; L127-L218 HydrophobicContact CD1-CD2 3.68Å; L127-F228 HydrophobicContact CD2-CD2 4.23Å; L127-F228 HydrophobicContact CD2-CE2 4.4Å
128	N	98.4	Very high	97.9	Very high	64 Å²	64	46 Å²	46	34%	0.342	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-39.2	177.2	-71.6	-15.5	0	0	0	111.5	Q124 A125 A126 K132	Q124-N128 PolarHBondContact NE2-OD1 2.85Å; Q124-N128 WeakPolarHBondContact O-CB 3.3Å; Q124-N128 VanDerWaalsContact O-CG 3.24Å; Q124-N128 PolarHBondContact O-N 3.03Å; Q124-N128 PolarHBondContact O-ND2 3.42Å; A125-N128 PolarHBondContact O-N 2.88Å; A126-N128 PolarHBondContact O-N 3.3Å; N128-K132 WeakPolarHBondContact O-CB 3.09Å; N128-K132 VanDerWaalsContact O-CG 3.25Å; N128-K132 WeakPolarHBondContact O-CG 3.07Å; N128-K132 PolarHBondContact O-N 3.11Å
129	F	98.5	Very high	98	Very high	26 Å²	26	43.1 Å²	43.1	11%	0.114	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-48.5	173.9	172.8	-92.8	0	0	0	111.2	V31 W63 Y90 E92 A125 A126 L127 R131 K132 R133	V31-F129 HydrophobicContact CG1-CD1 4.17Å; V31-F129 HydrophobicContact CG1-CE1 4.36Å; V31-F129 HydrophobicContact CG2-CD1 4.38Å; V31-F129 HydrophobicContact CG2-CE1 4.22Å; W63-F129 HydrophobicContact CB-CD1 4.07Å; W63-F129 HydrophobicContact CB-CE1 4.28Å; W63-F129 AromaticContact CD1-CD1 3.65Å; W63-F129 AromaticContact CD1-CD2 3.86Å; W63-F129 AromaticContact CD1-CG 3.45Å; W63-F129 VanDerWaalsContact CD1-CG 3.45Å; W63-F129 HydrophobicContact CG-CD1 4.18Å; W63-F129 HydrophobicContact CG-CG 4.35Å; Y90-F129 HydrophobicContact CD1-CE2 4.22Å; Y90-F129 AromaticContact CD1-CZ 3.64Å; Y90-F129 HydrophobicContact CD1-CZ 3.64Å; Y90-F129 AromaticContact CE1-CE2 3.85Å; Y90-F129 HydrophobicContact CE1-CE2 3.85Å; Y90-F129 AromaticContact CE1-CZ 3.74Å; Y90-F129 HydrophobicContact CE1-CZ 3.74Å; E92-F129 HydrophobicContact CB-CD2 4.48Å; E92-F129 HydrophobicContact CB-CE2 3.93Å; E92-F129 HydrophobicContact CB-CZ 4.06Å; E92-F129 HydrophobicContact CG-CD2 4.46Å; E92-F129 HydrophobicContact CG-CE2 4.27Å; A125-F129 WeakPolarHBondContact O-CB 3.14Å; A125-F129 PolarHBondContact O-N 3.25Å; A126-F129 WeakPolarHBondContact O-CB 3.16Å; A126-F129 PolarHBondContact O-N 3.02Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 2.69Å; F129-R131 PolarHBondContact O-N 2.97Å; F129-K132 PolarHBondContact O-N 2.97Å; F129-R133 HydrophobicContact CD1-CG 4.5Å; F129-R133 HydrophobicContact CD2-CG 4.41Å; F129-R133 HydrophobicContact CE1-CG 4.11Å; F129-R133 HydrophobicContact CE2-CG 4.02Å; F129-R133 HydrophobicContact CZ-CG 3.84Å; F129-R133 WeakPolarHBondContact O-CG 3.11Å; F129-R133 PolarHBondContact O-N 2.89Å
130	A	98.5	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-44.5	178.5	0	0	0	0	0	112.8	V31 A126 L127 K132 R133 W134 A135 I138 L218	V31-A130 HydrophobicContact CB-CB 3.92Å; V31-A130 HydrophobicContact CG1-CB 4.21Å; V31-A130 HydrophobicContact CG2-CB 3.78Å; A126-A130 PolarHBondContact O-N 3.03Å; L127-A130 PolarHBondContact O-N 3.49Å; A130-K132 PolarHBondContact O-N 3.14Å; A130-R133 PolarHBondContact O-N 3.44Å; A130-W134 PolarHBondContact O-N 3.28Å; A130-A135 HydrophobicContact CB-CB 4.09Å; A130-A135 WeakPolarHBondContact O-CB 3.21Å; A130-A135 PolarHBondContact O-N 2.54Å; A130-I138 HydrophobicContact CB-CB 4.1Å; A130-I138 HydrophobicContact CB-CD1 3.93Å; A130-I138 HydrophobicContact CB-CG1 4.46Å; A130-L218 HydrophobicContact CB-CD1 3.66Å
131	R	97.7	Very high	98	Very high	75 Å²	75	42.9 Å²	42.9	28%	0.283	19%	0.191	S	C	.	.	H	α-helix	trans	-60	-44.4	174.7	-71.9	172.7	175.7	161.7	-1.2	112.3	L127 F129 R133 W134 M223 L226	L127-R131 WeakPolarHBondContact O-CG 3.26Å; L127-R131 PolarHBondContact O-N 2.77Å; F129-R131 PolarHBondContact O-N 2.97Å; R131-R133 VanDerWaalsContact C-N 3.25Å; R131-R133 PolarHBondContact O-N 2.98Å; R131-W134 PolarHBondContact O-N 3.03Å; R131-M223 PolarHBondContact NH2-O 2.69Å; R131-L226 PolarHBondContact NH2-O 3.13Å
132	K	97.3	Very high	98	Very high	171 Å²	171	41.3 Å²	41.3	74%	0.743	19%	0.187	S	C	*	.	H	α-helix	trans	-66.4	-26.4	179	-75.4	175.4	-178.9	-176.8	0	113.3	N128 F129 A130 W134	N128-K132 WeakPolarHBondContact O-CB 3.09Å; N128-K132 VanDerWaalsContact O-CG 3.25Å; N128-K132 WeakPolarHBondContact O-CG 3.07Å; N128-K132 PolarHBondContact O-N 3.11Å; F129-K132 PolarHBondContact O-N 2.97Å; A130-K132 PolarHBondContact O-N 3.14Å; K132-W134 VanDerWaalsContact C-N 3.34Å
133	R	95.8	Very high	97.9	Very high	96 Å²	96	41 Å²	41	36%	0.362	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.2	177.4	-66.7	-74.5	-81.5	137.4	-0.3	113.1	H89 Y90 F129 A130 R131 A135	H89-R133 PolarHBondContact CD2-NH2 3.23Å; H89-R133 PolarHBondContact NE2-NH2 3.03Å; H89-R133 VanDerWaalsContact NE2-NH2 3.1Å; Y90-R133 VanDerWaalsContact CB-NH2 3.3Å; F129-R133 HydrophobicContact CD1-CG 4.5Å; F129-R133 HydrophobicContact CD2-CG 4.41Å; F129-R133 HydrophobicContact CE1-CG 4.11Å; F129-R133 HydrophobicContact CE2-CG 4.02Å; F129-R133 HydrophobicContact CZ-CG 3.84Å; F129-R133 WeakPolarHBondContact O-CG 3.11Å; F129-R133 PolarHBondContact O-N 2.89Å; A130-R133 PolarHBondContact O-N 3.44Å; R131-R133 VanDerWaalsContact C-N 3.25Å; R131-R133 PolarHBondContact O-N 2.98Å; R133-A135 PolarHBondContact O-N 3.22Å
134	W	96.1	Very high	97.8	Very high	226 Å²	226	41.8 Å²	41.8	86%	0.856	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	38.4	-175.1	-53	-42.6	0	0	0	112.9	A130 R131 K132	A130-W134 PolarHBondContact O-N 3.28Å; R131-W134 PolarHBondContact O-N 3.03Å; K132-W134 VanDerWaalsContact C-N 3.34Å
135	A	98.2	Very high	97.7	Very high	11 Å²	11	41 Å²	41	9%	0.091	19%	0.187	C	C	.	.			trans	-66.7	137.1	174.1	0	0	0	0	0	110.3	T29 V31 A130 R133	T29-A135 WeakPolarHBondContact OG1-CA 3.36Å; V31-A135 HydrophobicContact CB-CB 4.42Å; V31-A135 HydrophobicContact CG2-CB 3.58Å; A130-A135 HydrophobicContact CB-CB 4.09Å; A130-A135 WeakPolarHBondContact O-CB 3.21Å; A130-A135 PolarHBondContact O-N 2.54Å; R133-A135 PolarHBondContact O-N 3.22Å
136	D	98.6	Very high	97.6	Very high	43 Å²	43	39.3 Å²	39.3	23%	0.23	17%	0.173	C	C	.	.	S	Bend	trans	-71.7	-37.7	176	-63.5	-70.1	0	0	0	111.1	P28 T29 L218 R219	P28-D136 WeakPolarHBondContact CA-OD2 3.43Å; P28-D136 HydrophobicContact CB-CB 3.69Å; T29-D136 PolarHBondContact N-OD2 3.27Å; T29-D136 WeakPolarHBondContact O-CB 3.28Å; T29-D136 PolarHBondContact O-N 3.08Å; T29-D136 VanDerWaalsContact O-N 3.12Å; T29-D136 PolarHBondContact OG1-N 3.39Å; T29-D136 PolarHBondContact OG1-OD2 2.84Å; D136-L218 PolarHBondContact O-N 3.07Å; D136-R219 HydrophobicContact CB-CG 4Å; D136-R219 VanDerWaalsContact OD1-CD 3.27Å; D136-R219 WeakPolarHBondContact OD1-CD 3.14Å
137	Y	98.8	Very high	97.6	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.1	179.2	-63.3	-96	0	0	0	112.6	P28 T29 V30 V31 I157 L215 L216 D217 R219	P28-Y137 HydrophobicContact CB-CD2 3.71Å; P28-Y137 HydrophobicContact CB-CE2 3.58Å; P28-Y137 HydrophobicContact CG-CD2 4.44Å; P28-Y137 HydrophobicContact CG-CE2 3.83Å; T29-Y137 PolarHBondContact O-N 3.37Å; V30-Y137 CarbonylContact C-O 3.23Å; V30-Y137 WeakPolarHBondContact CA-O 3.14Å; V31-Y137 PolarHBondContact N-O 3.32Å; Y137-I157 HydrophobicContact CD1-CG1 4.27Å; Y137-I157 HydrophobicContact CD2-CD1 4.19Å; Y137-I157 HydrophobicContact CD2-CG1 4.18Å; Y137-I157 HydrophobicContact CE1-CG1 4.01Å; Y137-I157 HydrophobicContact CE2-CD1 4.21Å; Y137-I157 HydrophobicContact CE2-CG1 3.95Å; Y137-I157 HydrophobicContact CE2-CG2 4.13Å; Y137-I157 HydrophobicContact CG-CG1 4.33Å; Y137-L215 HydrophobicContact CD1-CD1 4.26Å; Y137-L215 HydrophobicContact CD1-CD2 3.77Å; Y137-L215 HydrophobicContact CD1-CG 3.88Å; Y137-L215 HydrophobicContact CE1-CD2 4.13Å; Y137-L215 HydrophobicContact CG-CD1 4.44Å; Y137-L216 VanDerWaalsContact CA-O 3.23Å; Y137-L216 WeakPolarHBondContact CA-O 3.21Å; Y137-L216 WeakPolarHBondContact CD1-O 3.41Å; Y137-D217 HydrophobicContact CD1-CB 3.89Å; Y137-D217 HydrophobicContact CE1-CB 3.55Å; Y137-R219 PolarHBondContact OH-NH2 3.15Å
138	I	98.8	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.1	163.9	-178.8	170.2	0	0	0	110.3	V31 A33 A126 L127 A130 Y140 L215 L216 L218	V31-I138 HydrophobicContact CB-CB 4.27Å; V31-I138 HydrophobicContact CB-CD1 4.47Å; V31-I138 HydrophobicContact CB-CG1 4.11Å; V31-I138 HydrophobicContact CG1-CD1 4.03Å; V31-I138 HydrophobicContact CG1-CG1 4.04Å; V31-I138 CarbonylContact O-C 3.5Å; V31-I138 VanDerWaalsContact O-CA 3.25Å; V31-I138 WeakPolarHBondContact O-CA 3.35Å; A33-I138 HydrophobicContact CB-CD1 4.31Å; A126-I138 HydrophobicContact CB-CD1 4.15Å; L127-I138 HydrophobicContact CD1-CG2 4.13Å; A130-I138 HydrophobicContact CB-CB 4.1Å; A130-I138 HydrophobicContact CB-CD1 3.93Å; A130-I138 HydrophobicContact CB-CG1 4.46Å; I138-Y140 HydrophobicContact CD1-CE1 4.3Å; I138-Y140 HydrophobicContact CD1-CE2 3.73Å; I138-Y140 WeakPolarHBondContact CD1-OH 3.43Å; I138-Y140 HydrophobicContact CG1-CD2 4.3Å; I138-Y140 HydrophobicContact CG1-CE2 3.84Å; I138-Y140 HydrophobicContact CG2-CE2 3.99Å; I138-L215 WeakPolarHBondContact O-CA 3.19Å; I138-L216 HydrophobicContact CG2-CB 3.77Å; I138-L216 HydrophobicContact CG2-CD1 4.29Å; I138-L216 HydrophobicContact CG2-CD2 4.22Å; I138-L216 HydrophobicContact CG2-CG 4.32Å; I138-L216 PolarHBondContact N-O 3.43Å; I138-L216 PolarHBondContact O-N 2.76Å; I138-L218 HydrophobicContact CB-CD1 4.33Å; I138-L218 HydrophobicContact CG2-CD1 3.99Å; I138-L218 HydrophobicContact CG2-CD2 3.94Å; I138-L218 HydrophobicContact CG2-CG 4.09Å
139	L	98.8	Very high	97.4	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.2	172.6	178.2	67.8	0	0	0	109	V31 I32 A33 L147 T213 L215	V31-L139 PolarHBondContact O-N 3.46Å; I32-L139 HydrophobicContact CD1-CD2 4.44Å; I32-L139 HydrophobicContact CG1-CB 4.36Å; I32-L139 HydrophobicContact CG1-CD2 4.31Å; A33-L139 PolarHBondContact N-O 2.85Å; L139-L147 HydrophobicContact CD2-CD1 4.23Å; L139-T213 HydrophobicContact CD1-CG2 4.3Å; L139-L215 HydrophobicContact CB-CD1 3.92Å; L139-L215 HydrophobicContact CD1-CB 4.38Å; L139-L215 HydrophobicContact CD1-CD1 4.34Å
140	Y	98.5	Very high	97.3	Very high	6 Å²	6	39.8 Å²	39.8	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.5	161.7	-66.1	-90.2	0	0	0	108	A33 K123 A126 L127 I138 T213 L214 L216 F228	A33-Y140 HydrophobicContact CB-CD1 3.69Å; A33-Y140 HydrophobicContact CB-CE1 3.75Å; A33-Y140 HydrophobicContact CB-CG 4.41Å; K123-Y140 HydrophobicContact CB-CE1 3.99Å; K123-Y140 HydrophobicContact CG-CD1 4.25Å; K123-Y140 HydrophobicContact CG-CE1 4.04Å; K123-Y140 PolarHBondContact O-OH 2.97Å; A126-Y140 HydrophobicContact CB-CE1 4.13Å; L127-Y140 WeakPolarHBondContact CB-OH 3.21Å; L127-Y140 PolarHBondContact N-OH 3.06Å; I138-Y140 HydrophobicContact CD1-CE1 4.3Å; I138-Y140 HydrophobicContact CD1-CE2 3.73Å; I138-Y140 WeakPolarHBondContact CD1-OH 3.43Å; I138-Y140 HydrophobicContact CG1-CD2 4.3Å; I138-Y140 HydrophobicContact CG1-CE2 3.84Å; I138-Y140 HydrophobicContact CG2-CE2 3.99Å; Y140-T213 CarbonylContact O-C 3.56Å; Y140-T213 WeakPolarHBondContact O-CA 3.38Å; Y140-L214 PolarHBondContact N-O 2.8Å; Y140-L214 PolarHBondContact O-N 2.61Å; Y140-L216 HydrophobicContact CD2-CD1 3.61Å; Y140-L216 HydrophobicContact CE2-CD1 3.8Å; Y140-L216 HydrophobicContact CE2-CD2 4.3Å; Y140-F228 HydrophobicContact CD2-CZ 4.29Å; Y140-F228 HydrophobicContact CE1-CE2 4.31Å; Y140-F228 HydrophobicContact CE1-CZ 4.46Å; Y140-F228 AromaticContact CE2-CE2 3.75Å; Y140-F228 HydrophobicContact CE2-CE2 3.75Å; Y140-F228 AromaticContact CE2-CZ 3.91Å; Y140-F228 HydrophobicContact CE2-CZ 3.91Å; Y140-F228 AromaticContact CZ-CE2 3.59Å; Y140-F228 AromaticContact CZ-CZ 3.99Å; Y140-F228 WeakPolarHBondContact OH-CE2 3.26Å
141	A	96.5	Very high	97.3	Very high	3 Å²	3	43 Å²	43	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	114.4	171.9	0	0	0	0	0	108.7	Y46 S212 T213	Y46-A141 HydrophobicContact CE2-CB 3.83Å; Y46-A141 WeakPolarHBondContact CE2-O 3.4Å; Y46-A141 PolarHBondContact OH-O 3.22Å; A141-S212 CarbonylContact C-O 3.58Å; A141-S212 WeakPolarHBondContact CA-O 3.01Å; A141-T213 HydrophobicContact CB-CG2 4.01Å
142	D	96.4	Very high	97.3	Very high	48 Å²	48	39.5 Å²	39.5	26%	0.257	18%	0.182	S	C	.	.			trans	-57.1	146.7	174	-58.4	-20	0	0	0	110.1	Y46 D144 N145 S212	Y46-D142 WeakPolarHBondContact CE2-O 3.5Å; D142-D144 WeakPolarHBondContact CB-OD1 3.5Å; D142-D144 PolarHBondContact O-N 2.85Å; D142-D144 VanDerWaalsContact O-N 3.1Å; D142-N145 WeakPolarHBondContact CB-ND2 3.31Å; D142-N145 WeakPolarHBondContact O-CB 3.14Å; D142-N145 PolarHBondContact O-N 3.25Å; D142-S212 PolarHBondContact N-O 3.19Å; D142-S212 WeakPolarHBondContact OD2-CA 3.38Å; D142-S212 WeakPolarHBondContact OD2-CB 3.4Å; D142-S212 PolarHBondContact OD2-OG 3.44Å
143	T	96.6	Very high	97.4	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.074	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.7	-168.8	50.3	0	0	0	0	114.9	I34 A36 A39 S42 L43 Y46	I34-T143 HydrophobicContact CG2-CG2 3.96Å; A36-T143 HydrophobicContact CB-CG2 3.85Å; A39-T143 VanDerWaalsContact CB-OG1 3.27Å; A39-T143 WeakPolarHBondContact CB-OG1 3.47Å; S42-T143 PolarHBondContact OG-O 3.43Å; L43-T143 HydrophobicContact CD1-CG2 3.94Å; Y46-T143 WeakPolarHBondContact CB-O 3.31Å; Y46-T143 HydrophobicContact CD1-CG2 4.47Å; Y46-T143 HydrophobicContact CE1-CG2 4.39Å
144	D	95.5	Very high	97.5	Very high	29 Å²	29	29.6 Å²	29.6	16%	0.155	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	9.4	172.1	57.9	-9.7	0	0	0	113.1	D142 N268	D142-D144 WeakPolarHBondContact CB-OD1 3.5Å; D142-D144 PolarHBondContact O-N 2.85Å; D142-D144 VanDerWaalsContact O-N 3.1Å; D144-N268 HydrophobicContact CB-CB 3.94Å; D144-N268 PolarHBondContact O-N 3.05Å
145	N	96.9	Very high	97.6	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.8	171.7	-61.8	-21.4	0	0	0	110.7	Y46 D142 L168 S212 T213 Y266 L267	Y46-N145 WeakPolarHBondContact CD2-O 3.34Å; D142-N145 WeakPolarHBondContact CB-ND2 3.31Å; D142-N145 WeakPolarHBondContact O-CB 3.14Å; D142-N145 PolarHBondContact O-N 3.25Å; N145-L168 HydrophobicContact CB-CD1 3.72Å; N145-S212 VanDerWaalsContact ND2-C 3.26Å; N145-S212 VanDerWaalsContact ND2-CB 3.33Å; N145-S212 WeakPolarHBondContact ND2-CB 3.41Å; N145-S212 PolarHBondContact ND2-O 2.98Å; N145-S212 VanDerWaalsContact ND2-O 3.14Å; N145-T213 VanDerWaalsContact CB-OG1 3.32Å; N145-T213 WeakPolarHBondContact CB-OG1 3.29Å; N145-T213 PolarHBondContact ND2-OG1 2.73Å; N145-Y266 CarbonylContact C-O 3.6Å; N145-Y266 WeakPolarHBondContact CA-O 3.39Å; N145-L267 WeakPolarHBondContact OD1-CB 3.37Å
146	I	97.5	Very high	97.6	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.4	-172.6	-46.7	-55.8	0	0	0	109.6	A49 T148 G265 Y266 F284 M298	A49-I146 HydrophobicContact CB-CG2 4.09Å; I146-T148 VanDerWaalsContact C-N 3.33Å; I146-T148 HydrophobicContact CG2-CG2 4.03Å; I146-T148 PolarHBondContact O-N 2.99Å; I146-G265 CarbonylContact O-C 3.59Å; I146-G265 WeakPolarHBondContact O-CA 3.42Å; I146-Y266 PolarHBondContact N-O 2.83Å; I146-Y266 PolarHBondContact O-N 3.13Å; I146-F284 HydrophobicContact CD1-CE2 4Å; I146-F284 HydrophobicContact CD1-CZ 3.88Å; I146-F284 HydrophobicContact CG1-CE2 3.87Å; I146-F284 HydrophobicContact CG1-CZ 3.9Å; I146-M298 HydrophobicContact CB-CE 4.05Å; I146-M298 HydrophobicContact CB-SD 3.83Å; I146-M298 HydrophobicContact CG1-CE 4.23Å; I146-M298 HydrophobicContact CG1-SD 3.66Å; I146-M298 HydrophobicContact CG2-CB 4.37Å; I146-M298 HydrophobicContact CG2-CE 4.44Å; I146-M298 HydrophobicContact CG2-CG 3.96Å; I146-M298 HydrophobicContact CG2-SD 3.85Å
147	L	97.1	Very high	97.6	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.031	11%	0.109	C	C	.	.			trans	-74	82	174.8	-64.8	-177	0	0	0	110.6	A49 L53 L139 N149 T152 P166 L168 T213 Y264	A49-L147 HydrophobicContact CB-CB 4.49Å; A49-L147 WeakPolarHBondContact CB-O 3.28Å; L53-L147 HydrophobicContact CD2-CD1 4.44Å; L139-L147 HydrophobicContact CD2-CD1 4.23Å; L147-N149 VanDerWaalsContact C-N 3.25Å; L147-N149 PolarHBondContact O-N 3.41Å; L147-T152 HydrophobicContact CD1-CG2 4.2Å; L147-T152 HydrophobicContact CD2-CG2 4.02Å; L147-P166 HydrophobicContact CD2-CG 4.36Å; L147-L168 HydrophobicContact CD2-CD2 3.82Å; L147-T213 HydrophobicContact CD2-CG2 4.13Å; L147-Y264 CarbonylContact C-O 3.5Å
148	T	96.1	Very high	97.6	Very high	16 Å²	16	23.7 Å²	23.7	10%	0.098	14%	0.139	C	C	.	.			trans	-71.1	-20.7	-178	56.2	0	0	0	0	113.1	I146 P150 Y264 G265 Y266 M298	I146-T148 VanDerWaalsContact C-N 3.33Å; I146-T148 HydrophobicContact CG2-CG2 4.03Å; I146-T148 PolarHBondContact O-N 2.99Å; T148-P150 VanDerWaalsContact O-CD 3.31Å; T148-P150 WeakPolarHBondContact O-CD 3.41Å; T148-Y264 PolarHBondContact N-O 2.87Å; T148-G265 WeakPolarHBondContact OG1-CA 3.42Å; T148-Y266 HydrophobicContact CG2-CD2 3.87Å; T148-Y266 HydrophobicContact CG2-CE2 4.12Å; T148-M298 HydrophobicContact CG2-CE 4.49Å; T148-M298 HydrophobicContact CG2-CG 4.05Å
149	N	96.8	Very high	97.5	Very high	27 Å²	27	25.5 Å²	25.5	14%	0.144	15%	0.147	C	C	.	.			trans	-87.4	113.3	176.4	-173.2	-25.3	0	0	0	111.5	L147 E151 T152 R263 Y264	L147-N149 VanDerWaalsContact C-N 3.25Å; L147-N149 PolarHBondContact O-N 3.41Å; N149-E151 PolarHBondContact O-N 3.13Å; N149-E151 VanDerWaalsContact O-N 3.16Å; N149-E151 WeakPolarHBondContact OD1-CB 3.28Å; N149-E151 PolarHBondContact OD1-N 2.96Å; N149-T152 WeakPolarHBondContact O-CB 3.44Å; N149-T152 PolarHBondContact O-N 3.26Å; N149-T152 PolarHBondContact O-OG1 3.08Å; N149-R263 VanDerWaalsContact CB-O 3.31Å; N149-R263 WeakPolarHBondContact CB-O 3.46Å; N149-R263 PolarHBondContact ND2-O 3.19Å; N149-R263 VanDerWaalsContact ND2-O 3.16Å; N149-Y264 WeakPolarHBondContact CB-O 3.44Å; N149-Y264 PolarHBondContact N-O 3.35Å; N149-Y264 VanDerWaalsContact N-O 3.1Å
150	P	97.4	Very high	97.5	Very high	52 Å²	52	29.8 Å²	29.8	34%	0.338	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.2	179.3	-28.2	39.1	0	0	0	114.4	R52 L53 N54 T148 T152	R52-P150 WeakPolarHBondContact O-CB 3.46Å; L53-P150 WeakPolarHBondContact CA-O 3.44Å; N54-P150 HydrophobicContact CB-CB 4.23Å; N54-P150 PolarHBondContact N-O 3.07Å; T148-P150 VanDerWaalsContact O-CD 3.31Å; T148-P150 WeakPolarHBondContact O-CD 3.41Å; P150-T152 VanDerWaalsContact C-N 3.31Å; P150-T152 PolarHBondContact O-N 3.31Å
151	E	98.1	Very high	97.4	Very high	67 Å²	67	32.5 Å²	32.5	31%	0.313	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.3	-175.7	-62.5	-54.6	137.2	0	0	113.5	N54 N149 L153 N154 L155	N54-E151 WeakPolarHBondContact CB-OE1 3.27Å; N54-E151 PolarHBondContact ND2-OE1 3.29Å; N149-E151 PolarHBondContact O-N 3.13Å; N149-E151 VanDerWaalsContact O-N 3.16Å; N149-E151 WeakPolarHBondContact OD1-CB 3.28Å; N149-E151 PolarHBondContact OD1-N 2.96Å; E151-L153 PolarHBondContact O-N 2.96Å; E151-L153 VanDerWaalsContact O-N 3.09Å; E151-N154 PolarHBondContact O-N 3.31Å; E151-N154 PolarHBondContact OE2-ND2 3.37Å; E151-L155 HydrophobicContact CB-CD1 3.8Å; E151-L155 HydrophobicContact CB-CG 4.02Å; E151-L155 WeakPolarHBondContact O-CB 3.38Å; E151-L155 WeakPolarHBondContact O-CG 3.38Å; E151-L155 PolarHBondContact O-N 3.32Å
152	T	98.1	Very high	97.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-48.3	-46.5	-173.9	-63.8	0	0	0	0	112.6	L147 N149 P150 M156 P166 Y264	L147-T152 HydrophobicContact CD1-CG2 4.2Å; L147-T152 HydrophobicContact CD2-CG2 4.02Å; N149-T152 WeakPolarHBondContact O-CB 3.44Å; N149-T152 PolarHBondContact O-N 3.26Å; N149-T152 PolarHBondContact O-OG1 3.08Å; P150-T152 VanDerWaalsContact C-N 3.31Å; P150-T152 PolarHBondContact O-N 3.31Å; T152-M156 HydrophobicContact CG2-CG 4.3Å; T152-M156 WeakPolarHBondContact O-CB 3.42Å; T152-M156 VanDerWaalsContact O-CG 3.23Å; T152-M156 WeakPolarHBondContact O-CG 3.35Å; T152-M156 PolarHBondContact O-N 3.5Å; T152-P166 HydrophobicContact CG2-CB 4.08Å; T152-P166 HydrophobicContact CG2-CG 3.97Å; T152-Y264 HydrophobicContact CG2-CD1 4.06Å
153	L	98.2	Very high	97.5	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-45.5	-177.6	-174.1	56.8	0	0	0	112.1	V30 Y55 I60 E151 L155 M156 I157 L215	V30-L153 HydrophobicContact CB-CD2 4.32Å; V30-L153 HydrophobicContact CG1-CD1 4.07Å; V30-L153 HydrophobicContact CG1-CD2 4.1Å; V30-L153 HydrophobicContact CG2-CD1 4.28Å; V30-L153 HydrophobicContact CG2-CD2 4.02Å; V30-L153 HydrophobicContact CG2-CG 4.48Å; Y55-L153 HydrophobicContact CD1-CD2 3.8Å; Y55-L153 HydrophobicContact CD2-CB 4.31Å; Y55-L153 HydrophobicContact CD2-CD2 3.62Å; Y55-L153 HydrophobicContact CD2-CG 3.84Å; Y55-L153 HydrophobicContact CE1-CD2 4.2Å; Y55-L153 HydrophobicContact CE2-CD2 4.05Å; Y55-L153 HydrophobicContact CE2-CG 4.06Å; Y55-L153 HydrophobicContact CG-CD2 3.47Å; Y55-L153 VanDerWaalsContact CG-CD2 3.47Å; Y55-L153 HydrophobicContact CG-CG 4.22Å; I60-L153 HydrophobicContact CD1-CD2 4.46Å; E151-L153 PolarHBondContact O-N 2.96Å; E151-L153 VanDerWaalsContact O-N 3.09Å; L153-L155 PolarHBondContact O-N 2.97Å; L153-M156 PolarHBondContact O-N 3.47Å; L153-I157 HydrophobicContact CD1-CD1 3.9Å; L153-I157 HydrophobicContact CD1-CG1 4.29Å; L153-I157 HydrophobicContact CG-CD1 3.9Å; L153-I157 WeakPolarHBondContact O-CB 3.07Å; L153-I157 WeakPolarHBondContact O-CG1 3.47Å; L153-I157 PolarHBondContact O-N 3.36Å; L153-L215 HydrophobicContact CD1-CD1 3.75Å; L153-L215 HydrophobicContact CD1-CD2 4.26Å
154	N	98.3	Very high	97.6	Very high	52 Å²	52	30.9 Å²	30.9	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-59.9	-46.3	176.6	-67.8	-40.3	0	0	0	111.3	N54 Y55 E151 I157 A158	N54-N154 PolarHBondContact O-ND2 2.86Å; Y55-N154 VanDerWaalsContact CD2-OD1 3.23Å; Y55-N154 WeakPolarHBondContact CD2-OD1 3.37Å; Y55-N154 WeakPolarHBondContact CE2-OD1 3.37Å; E151-N154 PolarHBondContact O-N 3.31Å; E151-N154 PolarHBondContact OE2-ND2 3.37Å; N154-I157 PolarHBondContact O-N 2.77Å; N154-A158 WeakPolarHBondContact O-CB 3.48Å; N154-A158 PolarHBondContact O-N 3.2Å
155	L	98.4	Very high	97.8	Very high	53 Å²	53	29.5 Å²	29.5	28%	0.277	17%	0.167	S	C	.	.	H	α-helix	trans	-63.4	-46.8	-179.7	-67.5	169.8	0	0	0	111.4	E151 L153 I157 A158 E159 E262 Y264	E151-L155 HydrophobicContact CB-CD1 3.8Å; E151-L155 HydrophobicContact CB-CG 4.02Å; E151-L155 WeakPolarHBondContact O-CB 3.38Å; E151-L155 WeakPolarHBondContact O-CG 3.38Å; E151-L155 PolarHBondContact O-N 3.32Å; L153-L155 PolarHBondContact O-N 2.97Å; L155-I157 PolarHBondContact O-N 2.94Å; L155-A158 PolarHBondContact O-N 2.93Å; L155-E159 WeakPolarHBondContact O-CG 3.39Å; L155-E159 PolarHBondContact O-N 3.02Å; L155-E262 HydrophobicContact CD1-CB 4.49Å; L155-E262 HydrophobicContact CD1-CG 3.93Å; L155-Y264 HydrophobicContact CB-CE1 4.08Å; L155-Y264 HydrophobicContact CD1-CE1 3.79Å
156	M	98.5	Very high	97.9	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-37.2	178.4	-67.8	-55.7	91	0	0	112.7	T152 L153 E159 I164 P166 L215 C259 Y264	T152-M156 HydrophobicContact CG2-CG 4.3Å; T152-M156 WeakPolarHBondContact O-CB 3.42Å; T152-M156 VanDerWaalsContact O-CG 3.23Å; T152-M156 WeakPolarHBondContact O-CG 3.35Å; T152-M156 PolarHBondContact O-N 3.5Å; L153-M156 PolarHBondContact O-N 3.47Å; M156-E159 PolarHBondContact O-N 2.62Å; M156-I164 HydrophobicContact CB-CG2 4.15Å; M156-I164 HydrophobicContact CE-CD1 4.37Å; M156-I164 HydrophobicContact SD-CD1 3.73Å; M156-I164 HydrophobicContact SD-CG1 3.77Å; M156-I164 HydrophobicContact SD-CG2 4.31Å; M156-P166 HydrophobicContact CG-CB 4.43Å; M156-P166 HydrophobicContact SD-CB 3.99Å; M156-P166 HydrophobicContact SD-CG 4.48Å; M156-L215 HydrophobicContact CB-CB 4.45Å; M156-L215 HydrophobicContact CB-CD2 3.64Å; M156-C259 HydrophobicContact CE-CB 3.92Å; M156-C259 HydrophobicContact SD-CB 4.31Å; M156-Y264 HydrophobicContact CE-CD1 4.31Å; M156-Y264 HydrophobicContact CE-CE1 3.45Å; M156-Y264 VanDerWaalsContact CE-CE1 3.45Å; M156-Y264 HydrophobicContact CE-CE2 4.16Å; M156-Y264 VanDerWaalsContact CE-OH 3.24Å; M156-Y264 WeakPolarHBondContact CE-OH 3.34Å
157	I	98.6	Very high	97.9	Very high	25 Å²	25	29.4 Å²	29.4	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-43.3	174.5	-74.7	173	0	0	0	110.6	P28 V30 Y55 Y137 L153 N154 L155 E159 N160 L215	P28-I157 HydrophobicContact CG-CG2 4.42Å; V30-I157 HydrophobicContact CG2-CD1 4.22Å; Y55-I157 HydrophobicContact CE2-CD1 3.72Å; Y137-I157 HydrophobicContact CD1-CG1 4.27Å; Y137-I157 HydrophobicContact CD2-CD1 4.19Å; Y137-I157 HydrophobicContact CD2-CG1 4.18Å; Y137-I157 HydrophobicContact CE1-CG1 4.01Å; Y137-I157 HydrophobicContact CE2-CD1 4.21Å; Y137-I157 HydrophobicContact CE2-CG1 3.95Å; Y137-I157 HydrophobicContact CE2-CG2 4.13Å; Y137-I157 HydrophobicContact CG-CG1 4.33Å; L153-I157 HydrophobicContact CD1-CD1 3.9Å; L153-I157 HydrophobicContact CD1-CG1 4.29Å; L153-I157 HydrophobicContact CG-CD1 3.9Å; L153-I157 WeakPolarHBondContact O-CB 3.07Å; L153-I157 WeakPolarHBondContact O-CG1 3.47Å; L153-I157 PolarHBondContact O-N 3.36Å; N154-I157 PolarHBondContact O-N 2.77Å; L155-I157 PolarHBondContact O-N 2.94Å; I157-E159 VanDerWaalsContact C-N 3.26Å; I157-E159 PolarHBondContact O-N 2.88Å; I157-N160 PolarHBondContact O-N 2.94Å; I157-N160 VanDerWaalsContact O-N 3.09Å; I157-L215 HydrophobicContact CG1-CD2 3.8Å
158	A	98.1	Very high	97.9	Very high	78 Å²	78	29.1 Å²	29.1	65%	0.645	17%	0.165	S	C	*	.	H	α-helix	trans	-63.2	-28.5	-178.5	0	0	0	0	0	113.5	N154 L155 N160	N154-A158 WeakPolarHBondContact O-CB 3.48Å; N154-A158 PolarHBondContact O-N 3.2Å; L155-A158 PolarHBondContact O-N 2.93Å; A158-N160 PolarHBondContact O-N 3.49Å
159	E	98.1	Very high	97.8	Very high	39 Å²	39	28.8 Å²	28.8	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.9	176.4	-63.8	-59.9	152.9	0	0	113.7	L155 M156 I157 K161 I164 C204 K261	L155-E159 WeakPolarHBondContact O-CG 3.39Å; L155-E159 PolarHBondContact O-N 3.02Å; M156-E159 PolarHBondContact O-N 2.62Å; I157-E159 VanDerWaalsContact C-N 3.26Å; I157-E159 PolarHBondContact O-N 2.88Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 HydrophobicContact CB-CG 4.03Å; E159-K161 WeakPolarHBondContact O-CD 3.38Å; E159-K161 VanDerWaalsContact O-CE 3.32Å; E159-K161 WeakPolarHBondContact O-CE 3.22Å; E159-K161 WeakPolarHBondContact O-CG 3.39Å; E159-K161 PolarHBondContact O-N 3.31Å; E159-I164 HydrophobicContact CB-CD1 3.56Å; E159-I164 HydrophobicContact CG-CD1 3.76Å; E159-C204 WeakPolarHBondContact CG-SG 3.32Å; E159-C204 PolarHBondContact OE2-SG 3.05Å; E159-K261 WeakPolarHBondContact OE1-CE 3.18Å; E159-K261 IonicContact OE1-NZ 3.16Å; E159-K261 PolarHBondContact OE1-NZ 2.95Å; E159-K261 IonicContact OE2-NZ 3.61Å; E159-K261 PolarHBondContact OE2-NZ 3.35Å
160	N	97.4	Very high	97.6	Very high	96 Å²	96	28 Å²	28	51%	0.513	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	48	176.9	-172	12.3	0	0	0	112.7	I157 A158 K220	I157-N160 PolarHBondContact O-N 2.94Å; I157-N160 VanDerWaalsContact O-N 3.09Å; A158-N160 PolarHBondContact O-N 3.49Å; N160-K220 PolarHBondContact O-NZ 3.47Å; N160-K220 WeakPolarHBondContact OD1-CE 3.34Å; N160-K220 PolarHBondContact OD1-NZ 3.09Å
161	K	97.7	Very high	97.1	Very high	63 Å²	63	26.9 Å²	26.9	27%	0.274	15%	0.152	S	C	.	.			trans	-105.1	151.6	178.1	-58.5	-50.7	178.5	-166.6	0	111.1	E159 I164 D217 K220 Y257	E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 HydrophobicContact CB-CG 4.03Å; E159-K161 WeakPolarHBondContact O-CD 3.38Å; E159-K161 VanDerWaalsContact O-CE 3.32Å; E159-K161 WeakPolarHBondContact O-CE 3.22Å; E159-K161 WeakPolarHBondContact O-CG 3.39Å; E159-K161 PolarHBondContact O-N 3.31Å; K161-I164 HydrophobicContact CB-CB 3.94Å; K161-I164 HydrophobicContact CB-CD1 4.26Å; K161-I164 HydrophobicContact CB-CG2 4.44Å; K161-I164 HydrophobicContact CG-CD1 4Å; K161-D217 WeakPolarHBondContact O-CB 3.36Å; K161-K220 VanDerWaalsContact C-NZ 3.29Å; K161-Y257 HydrophobicContact CB-CD2 3.81Å; K161-Y257 HydrophobicContact CB-CE2 4.33Å; K161-Y257 HydrophobicContact CB-CG 4.27Å; K161-Y257 HydrophobicContact CD-CD1 4.25Å; K161-Y257 HydrophobicContact CD-CD2 4Å; K161-Y257 HydrophobicContact CD-CE1 4.23Å; K161-Y257 HydrophobicContact CD-CE2 3.97Å; K161-Y257 HydrophobicContact CD-CG 4.14Å; K161-Y257 HydrophobicContact CG-CD1 4.46Å; K161-Y257 HydrophobicContact CG-CD2 3.92Å; K161-Y257 HydrophobicContact CG-CE2 4.38Å; K161-Y257 HydrophobicContact CG-CG 3.96Å
162	S	96.5	Very high	96.5	Very high	28 Å²	28	26.7 Å²	26.7	20%	0.196	17%	0.168	C	C	.	.	S	Bend	trans	-71.1	-46.2	-176.3	-51.9	0	0	0	0	112	L216 D217 K220 M223	S162-L216 WeakPolarHBondContact O-CA 3.44Å; S162-D217 PolarHBondContact O-N 2.97Å; S162-K220 WeakPolarHBondContact OG-CD 3.21Å; S162-M223 VanDerWaalsContact O-CE 3.29Å; S162-M223 WeakPolarHBondContact O-CE 3.4Å
163	V	98.5	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.6	172.6	179.4	0	0	0	0	107.2	V210 L214 L216 M223 L226 F245 V254 M256 Y257	V163-V210 HydrophobicContact CG1-CG2 3.98Å; V163-L214 HydrophobicContact CG1-CD1 3.79Å; V163-L216 HydrophobicContact CG2-CG 4.49Å; V163-M223 HydrophobicContact CG2-CE 3.88Å; V163-M223 HydrophobicContact CG2-SD 4.29Å; V163-L226 HydrophobicContact CG2-CD1 4.17Å; V163-F245 HydrophobicContact CG1-CE1 4.4Å; V163-V254 HydrophobicContact CG2-CG1 3.91Å; V163-M256 HydrophobicContact CB-CG 4.13Å; V163-M256 HydrophobicContact CG1-CB 4.37Å; V163-M256 HydrophobicContact CG1-CG 3.88Å; V163-Y257 PolarHBondContact O-N 2.65Å
164	I	98.7	Very high	95.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.5	-178.3	-171	171.4	0	0	0	111.3	M156 E159 K161 L214 L215 Y257 C259	M156-I164 HydrophobicContact CB-CG2 4.15Å; M156-I164 HydrophobicContact CE-CD1 4.37Å; M156-I164 HydrophobicContact SD-CD1 3.73Å; M156-I164 HydrophobicContact SD-CG1 3.77Å; M156-I164 HydrophobicContact SD-CG2 4.31Å; E159-I164 HydrophobicContact CB-CD1 3.56Å; E159-I164 HydrophobicContact CG-CD1 3.76Å; K161-I164 HydrophobicContact CB-CB 3.94Å; K161-I164 HydrophobicContact CB-CD1 4.26Å; K161-I164 HydrophobicContact CB-CG2 4.44Å; K161-I164 HydrophobicContact CG-CD1 4Å; I164-L214 CarbonylContact O-C 3.58Å; I164-L214 WeakPolarHBondContact O-CA 3.47Å; I164-L215 HydrophobicContact CG2-CB 3.99Å; I164-L215 HydrophobicContact CG2-CD2 4.46Å; I164-L215 PolarHBondContact N-O 2.75Å; I164-L215 PolarHBondContact O-N 2.71Å; I164-Y257 CarbonylContact C-O 3.5Å; I164-Y257 VanDerWaalsContact CA-O 3.29Å; I164-Y257 WeakPolarHBondContact CA-O 3.4Å; I164-C259 HydrophobicContact CD1-CB 4.1Å; I164-C259 HydrophobicContact CG1-CB 4.41Å
165	A	98.8	Very high	95.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.2	171	0	0	0	0	0	110.8	M167 V210 T213 L214 Y257 V258 C259	A165-M167 PolarHBondContact O-N 3.01Å; A165-V210 HydrophobicContact CB-CB 3.52Å; A165-V210 HydrophobicContact CB-CG1 3.74Å; A165-V210 HydrophobicContact CB-CG2 3.88Å; A165-T213 WeakPolarHBondContact CB-O 3.2Å; A165-L214 HydrophobicContact CB-CB 4.36Å; A165-Y257 PolarHBondContact N-O 3.37Å; A165-V258 WeakPolarHBondContact O-CA 2.86Å; A165-C259 PolarHBondContact O-N 2.97Å
166	P	98.4	Very high	95.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130	161.3	27.8	-30.6	0	0	0	108.6	L147 T152 M156 L168 N176 T213 Y264	L147-P166 HydrophobicContact CD2-CG 4.36Å; T152-P166 HydrophobicContact CG2-CB 4.08Å; T152-P166 HydrophobicContact CG2-CG 3.97Å; M156-P166 HydrophobicContact CG-CB 4.43Å; M156-P166 HydrophobicContact SD-CB 3.99Å; M156-P166 HydrophobicContact SD-CG 4.48Å; P166-L168 HydrophobicContact CG-CD2 4.44Å; P166-L168 PolarHBondContact O-N 2.75Å; P166-N176 PolarHBondContact O-ND2 3.01Å; P166-T213 HydrophobicContact CG-CG2 3.87Å; P166-Y264 HydrophobicContact CB-CD1 3.87Å; P166-Y264 HydrophobicContact CB-CD2 3.64Å; P166-Y264 HydrophobicContact CB-CE2 4.33Å; P166-Y264 HydrophobicContact CB-CG 3.37Å
167	M	98.2	Very high	95.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-68.7	116.4	174.3	-168.2	-178.7	79.1	0	0	108.9	A165 F177 T196 R197 R199 V258 C259 N260	A165-M167 PolarHBondContact O-N 3.01Å; M167-F177 HydrophobicContact CG-CD1 4.19Å; M167-F177 HydrophobicContact CG-CE1 3.81Å; M167-F177 HydrophobicContact SD-CE1 3.73Å; M167-F177 HydrophobicContact SD-CZ 4.16Å; M167-T196 HydrophobicContact SD-CG2 4.5Å; M167-R197 WeakPolarHBondContact CE-O 3.32Å; M167-R199 HydrophobicContact CE-CG 3.67Å; M167-V258 HydrophobicContact CB-CG2 3.82Å; M167-V258 HydrophobicContact CG-CG2 4.19Å; M167-C259 VanDerWaalsContact CB-O 3.28Å; M167-C259 WeakPolarHBondContact CB-O 3.28Å; M167-C259 PolarHBondContact N-O 3.43Å; M167-N260 HydrophobicContact CB-CB 3.97Å; M167-N260 HydrophobicContact CE-CB 3.6Å; M167-N260 HydrophobicContact CG-CB 4.46Å; M167-N260 HydrophobicContact SD-CB 3.66Å
168	L	96.9	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-95.3	144.8	177.5	-57.4	-179	0	0	0	110.1	N145 L147 P166 N176 G265 L267	N145-L168 HydrophobicContact CB-CD1 3.72Å; L147-L168 HydrophobicContact CD2-CD2 3.82Å; P166-L168 HydrophobicContact CG-CD2 4.44Å; P166-L168 PolarHBondContact O-N 2.75Å; L168-N176 PolarHBondContact N-OD1 2.88Å; L168-G265 WeakPolarHBondContact CA-O 3.33Å; L168-L267 HydrophobicContact CB-CB 4.09Å; L168-L267 HydrophobicContact CB-CD2 3.51Å; L168-L267 HydrophobicContact CB-CG 4.36Å; L168-L267 HydrophobicContact CD1-CB 4.08Å; L168-L267 VanDerWaalsContact O-CD2 3.23Å; L168-L267 WeakPolarHBondContact O-CD2 3.01Å
169	D	94.4	Very high	95.4	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.053	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-86.1	137.1	177.3	-72.2	-56.7	0	0	0	111.1	R197 R199 R263 G265 Y266 L267	D169-R197 IonicContact OD1-CZ 2.75Å; D169-R197 IonicContact OD1-NH1 2.83Å; D169-R197 PolarHBondContact OD1-NH1 3.29Å; D169-R197 IonicContact OD1-NH2 3.83Å; D169-R199 IonicContact OD1-CZ 3.69Å; D169-R199 IonicContact OD1-NH1 2.88Å; D169-R199 PolarHBondContact OD1-NH1 3.26Å; D169-R199 IonicContact OD1-NH2 3.41Å; D169-R199 IonicContact OD2-CZ 3.54Å; D169-R199 IonicContact OD2-NH1 3.16Å; D169-R199 PolarHBondContact OD2-NH1 3.26Å; D169-R199 VanDerWaalsContact OD2-NH1 3.11Å; D169-R199 IonicContact OD2-NH2 3.52Å; D169-R199 PolarHBondContact OD2-NH2 3.22Å; D169-R263 WeakPolarHBondContact OD2-CG 3.47Å; D169-R263 IonicContact OD2-CZ 2.97Å; D169-R263 IonicContact OD2-NE 3.01Å; D169-R263 IonicContact OD2-NH1 3.9Å; D169-R263 PolarHBondContact OD2-NH1 3.13Å; D169-G265 PolarHBondContact N-O 2.89Å; D169-Y266 HydrophobicContact CB-CD1 3.85Å; D169-Y266 HydrophobicContact CB-CE1 3.99Å; D169-Y266 CarbonylContact O-C 3.55Å; D169-Y266 WeakPolarHBondContact O-CA 3.17Å; D169-Y266 WeakPolarHBondContact O-CB 3.5Å; D169-L267 PolarHBondContact O-N 2.87Å
170	S	92.8	Very high	95.2	Very high	10 Å²	10	22.7 Å²	22.7	7%	0.07	14%	0.138	C	C	.	.			trans	-139.4	158.2	174.2	61.5	0	0	0	0	111.6	Y174 R197 L267	S170-Y174 VanDerWaalsContact OG-C 3.29Å; S170-Y174 PolarHBondContact OG-O 3.11Å; S170-R197 VanDerWaalsContact N-NH2 3.12Å; S170-R197 PolarHBondContact O-NH2 3.28Å; S170-L267 VanDerWaalsContact CB-O 3.27Å; S170-L267 WeakPolarHBondContact CB-O 3.35Å
171	P	85.9	Confident	95.1	Very high	28 Å²	28	19.5 Å²	19.5	18%	0.182	12%	0.121	C	C	.	.	S	Bend	trans	-53.5	140.5	169	-26	34.5	0	0	0	112.4	V269 V287 E290	P171-V269 HydrophobicContact CB-CG2 4.42Å; P171-V287 HydrophobicContact CG-CG2 3.97Å; P171-E290 HydrophobicContact CG-CG 4.48Å
172	G	85.8	Confident	94.9	Very high	63 Å²	63	18.1 Å²	18.1	65%	0.649	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	-145.6	178.1	0	0	0	0	0	114.4
173	A	88.5	Confident	94.6	Very high	42 Å²	42	21.9 Å²	21.9	35%	0.347	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4.8	-172.1	0	0	0	0	0	114.4	Y193 F194	A173-Y193 PolarHBondContact O-OH 3.17Å; A173-F194 HydrophobicContact CB-CE1 4.32Å
174	Y	92.8	Very high	94.2	Very high	73 Å²	73	27.5 Å²	27.5	29%	0.286	17%	0.168	S	C	.	.			trans	-70	156.8	175.7	-171	-110.3	0	0	0	110.7	S170 R197 H211 L267 V269 P270	S170-Y174 VanDerWaalsContact OG-C 3.29Å; S170-Y174 PolarHBondContact OG-O 3.11Å; Y174-R197 PolarHBondContact O-NE 3.3Å; Y174-H211 PolarHBondContact OH-CE1 2.86Å; Y174-L267 HydrophobicContact CD1-CD1 3.82Å; Y174-L267 HydrophobicContact CD1-CG 4.4Å; Y174-L267 HydrophobicContact CE1-CD1 3.45Å; Y174-L267 VanDerWaalsContact CE1-CD1 3.45Å; Y174-L267 HydrophobicContact CE1-CG 4.41Å; Y174-V269 HydrophobicContact CD1-CG1 4.49Å; Y174-V269 HydrophobicContact CD1-CG2 4.28Å; Y174-V269 HydrophobicContact CG-CG1 4.36Å; Y174-P270 HydrophobicContact CE1-CG 3.94Å; Y174-P270 HydrophobicContact CE2-CG 4.16Å; Y174-P270 VanDerWaalsContact OH-CG 3.27Å; Y174-P270 WeakPolarHBondContact OH-CG 3.38Å
175	S	95.2	Very high	93.8	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.028	17%	0.167	C	C	.	.			trans	-165.3	169.3	174.8	65.8	0	0	0	0	110.7	F177 Y193 H211	S175-F177 VanDerWaalsContact C-N 3.29Å; S175-F177 PolarHBondContact O-N 3.38Å; S175-F177 WeakPolarHBondContact OG-CD1 3.37Å; S175-F177 WeakPolarHBondContact OG-CE1 3.18Å; S175-F177 PolarHBondContact OG-O 2.9Å; S175-Y193 WeakPolarHBondContact CB-OH 3.18Å; S175-Y193 WeakPolarHBondContact OG-CE2 3.09Å; S175-Y193 PolarHBondContact OG-OH 3.45Å; S175-H211 PolarHBondContact O-CE1 2.81Å; S175-H211 PolarHBondContact O-NE2 3.33Å
176	N	97.5	Very high	93.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-88.9	22.9	179.1	69.4	-39.1	0	0	0	114.7	P166 L168 V210 H211 L267	P166-N176 PolarHBondContact O-ND2 3.01Å; L168-N176 PolarHBondContact N-OD1 2.88Å; N176-V210 WeakPolarHBondContact O-CA 3.19Å; N176-H211 WeakPolarHBondContact CB-O 3.25Å; N176-H211 PolarHBondContact O-N 2.97Å; N176-L267 HydrophobicContact CB-CD1 4.08Å
177	F	97.6	Very high	93.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153	-180	72.2	-79.9	0	0	0	112.5	M167 S175 C179 Y193 T196 R197 V207 M209 V210 V258	M167-F177 HydrophobicContact CG-CD1 4.19Å; M167-F177 HydrophobicContact CG-CE1 3.81Å; M167-F177 HydrophobicContact SD-CE1 3.73Å; M167-F177 HydrophobicContact SD-CZ 4.16Å; S175-F177 VanDerWaalsContact C-N 3.29Å; S175-F177 PolarHBondContact O-N 3.38Å; S175-F177 WeakPolarHBondContact OG-CD1 3.37Å; S175-F177 WeakPolarHBondContact OG-CE1 3.18Å; S175-F177 PolarHBondContact OG-O 2.9Å; F177-C179 VanDerWaalsContact CE2-SG 3.51Å; F177-Y193 HydrophobicContact CE2-CD2 4.07Å; F177-Y193 HydrophobicContact CE2-CE2 4.11Å; F177-Y193 HydrophobicContact CZ-CD2 4.28Å; F177-Y193 HydrophobicContact CZ-CE2 4.03Å; F177-T196 HydrophobicContact CE2-CG2 3.85Å; F177-T196 HydrophobicContact CZ-CG2 3.84Å; F177-R197 HydrophobicContact CZ-CB 4.29Å; F177-V207 HydrophobicContact CD2-CG1 4.24Å; F177-M209 WeakPolarHBondContact CA-O 3.33Å; F177-V210 HydrophobicContact CB-CG1 4.17Å; F177-V258 HydrophobicContact CB-CB 4.02Å; F177-V258 HydrophobicContact CB-CG1 4.45Å; F177-V258 HydrophobicContact CB-CG2 3.99Å; F177-V258 HydrophobicContact CD1-CG2 3.83Å; F177-V258 HydrophobicContact CD2-CB 4.42Å; F177-V258 HydrophobicContact CD2-CG1 3.95Å; F177-V258 HydrophobicContact CD2-CG2 4.44Å; F177-V258 HydrophobicContact CE1-CG2 4.44Å; F177-V258 HydrophobicContact CE2-CG1 4.39Å; F177-V258 HydrophobicContact CG-CB 4.11Å; F177-V258 HydrophobicContact CG-CG1 4.15Å; F177-V258 HydrophobicContact CG-CG2 3.83Å
178	W	97.2	Very high	93	Very high	35 Å²	35	43.9 Å²	43.9	13%	0.133	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	173.2	-57.1	-6	0	0	0	110.4	G180 I181 Y187 V207 P208 M209 H211 I242 I243	W178-G180 VanDerWaalsContact C-N 3.29Å; W178-G180 PolarHBondContact O-N 3.44Å; W178-I181 HydrophobicContact CE3-CD1 4.31Å; W178-I181 HydrophobicContact CE3-CG1 3.82Å; W178-I181 HydrophobicContact CZ3-CG1 4.34Å; W178-Y187 HydrophobicContact CB-CD2 3.96Å; W178-Y187 HydrophobicContact CB-CE2 4.07Å; W178-Y187 AromaticContact CD1-CD2 3.61Å; W178-Y187 AromaticContact CD1-CE2 3.94Å; W178-Y187 AromaticContact CD2-CD2 3.57Å; W178-Y187 HydrophobicContact CD2-CD2 3.57Å; W178-Y187 HydrophobicContact CD2-CE2 4.48Å; W178-Y187 HydrophobicContact CD2-CG 4.38Å; W178-Y187 AromaticContact CE2-CD2 3.82Å; W178-Y187 HydrophobicContact CE3-CD2 4.15Å; W178-Y187 AromaticContact CG-CD2 3.46Å; W178-Y187 HydrophobicContact CG-CD2 3.46Å; W178-Y187 VanDerWaalsContact CG-CD2 3.46Å; W178-Y187 AromaticContact CG-CE2 3.92Å; W178-Y187 HydrophobicContact CG-CE2 3.92Å; W178-Y187 AromaticContact NE1-CD2 3.86Å; W178-V207 WeakPolarHBondContact O-CB 3.5Å; W178-P208 WeakPolarHBondContact O-CD 3.46Å; W178-P208 WeakPolarHBondContact O-CG 3.41Å; W178-M209 HydrophobicContact CB-CB 4.11Å; W178-M209 HydrophobicContact CD2-CB 4.37Å; W178-M209 HydrophobicContact CD2-CE 4.43Å; W178-M209 HydrophobicContact CD2-CG 4.41Å; W178-M209 HydrophobicContact CD2-SD 3.41Å; W178-M209 HydrophobicContact CE3-CB 4.41Å; W178-M209 HydrophobicContact CE3-CE 3.85Å; W178-M209 HydrophobicContact CE3-SD 3.45Å; W178-M209 HydrophobicContact CG-CB 4.25Å; W178-M209 HydrophobicContact CG-SD 4.07Å; W178-M209 HydrophobicContact CH2-CE 4.18Å; W178-M209 HydrophobicContact CH2-SD 3.87Å; W178-M209 HydrophobicContact CZ2-SD 3.85Å; W178-M209 HydrophobicContact CZ3-CE 3.7Å; W178-M209 HydrophobicContact CZ3-SD 3.67Å; W178-M209 PolarHBondContact N-O 2.87Å; W178-H211 AromaticContact NE1-NE2 3.78Å; W178-I242 HydrophobicContact CZ2-CD1 3.98Å; W178-I243 HydrophobicContact CH2-CD1 4.25Å; W178-I243 HydrophobicContact CH2-CG1 4.19Å
179	C	95.9	Very high	92.8	Very high	22 Å²	22	49.2 Å²	49.2	15%	0.149	25%	0.251	C	S	.	.	S	Bend	trans	-82.7	-3.5	174.1	-64.9	0	0	0	0	114	F177 T190	F177-C179 VanDerWaalsContact CE2-SG 3.51Å; C179-T190 HydrophobicContact CB-CG2 4.29Å; C179-T190 WeakPolarHBondContact CB-OG1 3.49Å; C179-T190 WeakPolarHBondContact O-CG2 3.43Å
180	G	94.9	Very high	92.8	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.021	26%	0.259	C	S	.	.			trans	-161.6	147.7	-177	0	0	0	0	0	112	W178 R188	W178-G180 VanDerWaalsContact C-N 3.29Å; W178-G180 PolarHBondContact O-N 3.44Å; G180-R188 CarbonylContact C-O 3.51Å; G180-R188 VanDerWaalsContact CA-O 3.31Å; G180-R188 WeakPolarHBondContact CA-O 3.38Å; G180-R188 PolarHBondContact N-O 3.16Å; G180-R188 PolarHBondContact O-N 2.77Å
181	I	94.4	Very high	92.9	Very high	29 Å²	29	54.1 Å²	54.1	15%	0.149	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-129.7	141.3	175.1	-69.3	179.7	0	0	0	108.8	W178 Y186 P208 M209 W237	W178-I181 HydrophobicContact CE3-CD1 4.31Å; W178-I181 HydrophobicContact CE3-CG1 3.82Å; W178-I181 HydrophobicContact CZ3-CG1 4.34Å; I181-Y186 CarbonylContact C-O 3.54Å; I181-Y186 VanDerWaalsContact CA-O 3.25Å; I181-Y186 WeakPolarHBondContact CA-O 3.4Å; I181-P208 HydrophobicContact CB-CB 4.45Å; I181-P208 HydrophobicContact CD1-CB 3.69Å; I181-P208 HydrophobicContact CD1-CG 4.25Å; I181-P208 HydrophobicContact CG1-CB 3.91Å; I181-P208 HydrophobicContact CG1-CG 3.98Å; I181-M209 HydrophobicContact CD1-CB 4.16Å; I181-M209 HydrophobicContact CD1-CE 3.96Å; I181-W237 HydrophobicContact CG2-CH2 4.17Å; I181-W237 HydrophobicContact CG2-CZ3 4.44Å
182	T	93.7	Very high	93.2	Very high	33 Å²	33	57.3 Å²	57.3	20%	0.202	30%	0.303	C	S	.	.			trans	-76.5	162.7	171.4	69.6	0	0	0	0	110.8	Q184 G185 Y186 R188	T182-Q184 PolarHBondContact O-N 2.69Å; T182-Q184 PolarHBondContact OG1-N 3.38Å; T182-G185 PolarHBondContact O-N 3.35Å; T182-Y186 PolarHBondContact N-O 2.9Å; T182-Y186 PolarHBondContact OG1-N 2.87Å; T182-Y186 VanDerWaalsContact OG1-N 3.13Å; T182-R188 HydrophobicContact CG2-CB 4.11Å
183	P	90.4	Very high	93.7	Very high	107 Å²	107	54.5 Å²	54.5	70%	0.695	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.1	175.3	-26.2	35.7	0	0	0	114.2	G185 W237	P183-G185 VanDerWaalsContact C-N 3.34Å; P183-W237 PolarHBondContact O-NE1 3.18Å
184	Q	90.3	Very high	94	Very high	118 Å²	118	56.4 Å²	56.4	55%	0.551	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	3.7	177.5	-61.5	74.8	26.4	0	0	113.8	T182 Y186 P238	T182-Q184 PolarHBondContact O-N 2.69Å; T182-Q184 PolarHBondContact OG1-N 3.38Å; Q184-Y186 HydrophobicContact CB-CD2 3.95Å; Q184-Y186 HydrophobicContact CB-CE2 4.3Å; Q184-P238 WeakPolarHBondContact O-CD 3.26Å
185	G	90.3	Very high	94	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	88.2	6.5	176.7	0	0	0	0	0	115.6	T182 P183 W237	T182-G185 PolarHBondContact O-N 3.35Å; P183-G185 VanDerWaalsContact C-N 3.34Å; G185-W237 VanDerWaalsContact CA-CD2 3.46Å
186	Y	91.6	Very high	94	Very high	134 Å²	134	54.8 Å²	54.8	53%	0.525	27%	0.271	S	S	.	.			trans	-91	160.1	-178.7	-71.8	-79.4	0	0	0	113.4	I181 T182 Q184 R188 P238	I181-Y186 CarbonylContact C-O 3.54Å; I181-Y186 VanDerWaalsContact CA-O 3.25Å; I181-Y186 WeakPolarHBondContact CA-O 3.4Å; T182-Y186 PolarHBondContact N-O 2.9Å; T182-Y186 PolarHBondContact OG1-N 2.87Å; T182-Y186 VanDerWaalsContact OG1-N 3.13Å; Q184-Y186 HydrophobicContact CB-CD2 3.95Å; Q184-Y186 HydrophobicContact CB-CE2 4.3Å; Y186-R188 PolarHBondContact O-N 2.78Å; Y186-P238 HydrophobicContact CD1-CG 4.28Å; Y186-P238 HydrophobicContact CD2-CG 4.18Å; Y186-P238 HydrophobicContact CE1-CB 4.3Å; Y186-P238 HydrophobicContact CE1-CG 3.62Å; Y186-P238 HydrophobicContact CE2-CG 3.5Å; Y186-P238 VanDerWaalsContact CE2-CG 3.5Å; Y186-P238 VanDerWaalsContact OH-CG 3.29Å; Y186-P238 WeakPolarHBondContact OH-CG 3.21Å
187	Y	92.4	Very high	93.8	Very high	75 Å²	75	55.7 Å²	55.7	29%	0.294	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-51.1	133.4	173.1	178.6	-100.8	0	0	0	112.7	W178 R189	W178-Y187 HydrophobicContact CB-CD2 3.96Å; W178-Y187 HydrophobicContact CB-CE2 4.07Å; W178-Y187 AromaticContact CD1-CD2 3.61Å; W178-Y187 AromaticContact CD1-CE2 3.94Å; W178-Y187 AromaticContact CD2-CD2 3.57Å; W178-Y187 HydrophobicContact CD2-CD2 3.57Å; W178-Y187 HydrophobicContact CD2-CE2 4.48Å; W178-Y187 HydrophobicContact CD2-CG 4.38Å; W178-Y187 AromaticContact CE2-CD2 3.82Å; W178-Y187 HydrophobicContact CE3-CD2 4.15Å; W178-Y187 AromaticContact CG-CD2 3.46Å; W178-Y187 HydrophobicContact CG-CD2 3.46Å; W178-Y187 VanDerWaalsContact CG-CD2 3.46Å; W178-Y187 AromaticContact CG-CE2 3.92Å; W178-Y187 HydrophobicContact CG-CE2 3.92Å; W178-Y187 AromaticContact NE1-CD2 3.86Å; Y187-R189 HydrophobicContact CE1-CB 3.96Å; Y187-R189 WeakPolarHBondContact OH-CA 3.27Å; Y187-R189 WeakPolarHBondContact OH-CD 3.26Å; Y187-R189 PolarHBondContact OH-NE 3.48Å; Y187-R189 PolarHBondContact OH-NH1 3.04Å
188	R	93.8	Very high	93.5	Very high	136 Å²	136	61.4 Å²	61.4	51%	0.513	30%	0.297	S	S	.	.			trans	-132.8	117.8	170	-171.9	-176.8	71	174.7	-0.1	110.6	G180 T182 Y186	G180-R188 CarbonylContact C-O 3.51Å; G180-R188 VanDerWaalsContact CA-O 3.31Å; G180-R188 WeakPolarHBondContact CA-O 3.38Å; G180-R188 PolarHBondContact N-O 3.16Å; G180-R188 PolarHBondContact O-N 2.77Å; T182-R188 HydrophobicContact CG2-CB 4.11Å; Y186-R188 PolarHBondContact O-N 2.78Å
189	R	92.9	Very high	93.3	Very high	112 Å²	112	61.7 Å²	61.7	42%	0.423	30%	0.298	S	S	.	.			trans	-64.6	137.1	172.5	-169	77.2	60.3	-158.8	-7.7	110	Y187	Y187-R189 HydrophobicContact CE1-CB 3.96Å; Y187-R189 WeakPolarHBondContact OH-CA 3.27Å; Y187-R189 WeakPolarHBondContact OH-CD 3.26Å; Y187-R189 PolarHBondContact OH-NE 3.48Å; Y187-R189 PolarHBondContact OH-NH1 3.04Å
190	T	94.8	Very high	93.2	Very high	36 Å²	36	67.1 Å²	67.1	22%	0.221	32%	0.321	C	S	.	.			trans	-127.4	166	174.4	71.5	0	0	0	0	110.2	C179 E192 Y193	C179-T190 HydrophobicContact CB-CG2 4.29Å; C179-T190 WeakPolarHBondContact CB-OG1 3.49Å; C179-T190 WeakPolarHBondContact O-CG2 3.43Å; T190-E192 PolarHBondContact O-N 2.75Å; T190-Y193 WeakPolarHBondContact O-CB 3.33Å; T190-Y193 PolarHBondContact O-N 2.84Å
191	A	94.6	Very high	92.9	Very high	88 Å²	88	74.1 Å²	74.1	73%	0.727	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.7	177.7	0	0	0	0	0	113.3	Y193 P195	A191-Y193 VanDerWaalsContact C-N 3.31Å; A191-Y193 PolarHBondContact O-N 2.92Å; A191-P195 WeakPolarHBondContact O-CD 3.34Å; A191-P195 WeakPolarHBondContact O-CG 3.49Å
192	E	93.3	Very high	93	Very high	94 Å²	94	78.9 Å²	78.9	44%	0.439	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.1	-179.6	-59.3	-55.6	135.8	0	0	113.5	T190 T196 R201	T190-E192 PolarHBondContact O-N 2.75Å; E192-T196 VanDerWaalsContact O-CB 3.31Å; E192-T196 WeakPolarHBondContact O-CB 3.15Å; E192-T196 PolarHBondContact O-N 2.85Å; E192-T196 VanDerWaalsContact O-N 3.08Å; E192-T196 PolarHBondContact O-OG1 2.88Å; E192-R201 IonicContact OE2-NH1 2.72Å; E192-R201 PolarHBondContact OE2-NH1 2.93Å
193	Y	94.9	Very high	93.1	Very high	4 Å²	4	77.8 Å²	77.8	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-58.2	-173	-177	-92	0	0	0	113	A173 S175 F177 T190 A191 T196 R197	A173-Y193 PolarHBondContact O-OH 3.17Å; S175-Y193 WeakPolarHBondContact CB-OH 3.18Å; S175-Y193 WeakPolarHBondContact OG-CE2 3.09Å; S175-Y193 PolarHBondContact OG-OH 3.45Å; F177-Y193 HydrophobicContact CE2-CD2 4.07Å; F177-Y193 HydrophobicContact CE2-CE2 4.11Å; F177-Y193 HydrophobicContact CZ-CD2 4.28Å; F177-Y193 HydrophobicContact CZ-CE2 4.03Å; T190-Y193 WeakPolarHBondContact O-CB 3.33Å; T190-Y193 PolarHBondContact O-N 2.84Å; A191-Y193 VanDerWaalsContact C-N 3.31Å; A191-Y193 PolarHBondContact O-N 2.92Å; Y193-T196 PolarHBondContact O-N 2.92Å; Y193-R197 HydrophobicContact CE1-CB 4.17Å; Y193-R197 HydrophobicContact CE1-CG 4.36Å; Y193-R197 VanDerWaalsContact O-CB 3.31Å; Y193-R197 WeakPolarHBondContact O-CB 3.37Å; Y193-R197 PolarHBondContact O-N 2.92Å
194	F	94.6	Very high	93.5	Very high	83 Å²	83	74 Å²	74	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-42.5	-177.4	-72	-63.2	0	0	0	112.9	A173 T196 R197 Y198	A173-F194 HydrophobicContact CB-CE1 4.32Å; F194-T196 VanDerWaalsContact C-N 3.26Å; F194-T196 PolarHBondContact O-N 2.94Å; F194-R197 PolarHBondContact O-N 3.15Å; F194-Y198 HydrophobicContact CB-CD2 3.91Å; F194-Y198 HydrophobicContact CB-CE2 3.83Å; F194-Y198 HydrophobicContact CD1-CD2 4.13Å; F194-Y198 AromaticContact CD1-CE2 3.32Å; F194-Y198 HydrophobicContact CD1-CE2 3.32Å; F194-Y198 AromaticContact CD1-CZ 3.58Å; F194-Y198 HydrophobicContact CE1-CE2 4.15Å; F194-Y198 HydrophobicContact CG-CD2 4.46Å; F194-Y198 AromaticContact CG-CE2 3.9Å; F194-Y198 HydrophobicContact CG-CE2 3.9Å; F194-Y198 WeakPolarHBondContact O-CB 3.34Å; F194-Y198 WeakPolarHBondContact O-CD2 3.35Å; F194-Y198 PolarHBondContact O-N 2.98Å
195	P	94.6	Very high	93.8	Very high	34 Å²	34	71.1 Å²	71.1	22%	0.221	32%	0.324	C	S	.	.	H	α-helix	trans	-56.2	-38.1	172	-27.6	35.8	0	0	0	113.8	A191 R199 H200	A191-P195 WeakPolarHBondContact O-CD 3.34Å; A191-P195 WeakPolarHBondContact O-CG 3.49Å; P195-R199 PolarHBondContact O-N 3.4Å; P195-H200 HydrophobicContact CB-CB 4.25Å; P195-H200 PolarHBondContact O-N 2.87Å
196	T	94.1	Very high	94.1	Very high	9 Å²	9	75 Å²	75	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-71.5	-49.7	176.2	-54.9	0	0	0	0	111.1	M167 F177 E192 Y193 F194 Y198 R199 Y205 V258 N260	M167-T196 HydrophobicContact SD-CG2 4.5Å; F177-T196 HydrophobicContact CE2-CG2 3.85Å; F177-T196 HydrophobicContact CZ-CG2 3.84Å; E192-T196 VanDerWaalsContact O-CB 3.31Å; E192-T196 WeakPolarHBondContact O-CB 3.15Å; E192-T196 PolarHBondContact O-N 2.85Å; E192-T196 VanDerWaalsContact O-N 3.08Å; E192-T196 PolarHBondContact O-OG1 2.88Å; Y193-T196 PolarHBondContact O-N 2.92Å; F194-T196 VanDerWaalsContact C-N 3.26Å; F194-T196 PolarHBondContact O-N 2.94Å; T196-Y198 PolarHBondContact O-N 3.34Å; T196-R199 PolarHBondContact O-N 3.21Å; T196-R199 VanDerWaalsContact O-N 3.13Å; T196-Y205 HydrophobicContact CG2-CD2 3.83Å; T196-Y205 HydrophobicContact CG2-CE2 4.16Å; T196-V258 HydrophobicContact CG2-CG1 4.25Å; T196-N260 PolarHBondContact O-ND2 3.23Å
197	R	93	Very high	94.4	Very high	18 Å²	18	68.9 Å²	68.9	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-41.3	-176.8	175.6	62.7	-175.1	89.3	-0.6	113.2	M167 D169 S170 Y174 F177 Y193 F194 R199	M167-R197 WeakPolarHBondContact CE-O 3.32Å; D169-R197 IonicContact OD1-CZ 2.75Å; D169-R197 IonicContact OD1-NH1 2.83Å; D169-R197 PolarHBondContact OD1-NH1 3.29Å; D169-R197 IonicContact OD1-NH2 3.83Å; S170-R197 VanDerWaalsContact N-NH2 3.12Å; S170-R197 PolarHBondContact O-NH2 3.28Å; Y174-R197 PolarHBondContact O-NE 3.3Å; F177-R197 HydrophobicContact CZ-CB 4.29Å; Y193-R197 HydrophobicContact CE1-CB 4.17Å; Y193-R197 HydrophobicContact CE1-CG 4.36Å; Y193-R197 VanDerWaalsContact O-CB 3.31Å; Y193-R197 WeakPolarHBondContact O-CB 3.37Å; Y193-R197 PolarHBondContact O-N 2.92Å; F194-R197 PolarHBondContact O-N 3.15Å; R197-R199 PolarHBondContact O-N 2.96Å
198	Y	92.3	Very high	94.6	Very high	121 Å²	121	67.9 Å²	67.9	48%	0.475	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8.7	178.1	-59.1	-40.9	0	0	0	112.8	F194 T196 H200	F194-Y198 HydrophobicContact CB-CD2 3.91Å; F194-Y198 HydrophobicContact CB-CE2 3.83Å; F194-Y198 HydrophobicContact CD1-CD2 4.13Å; F194-Y198 AromaticContact CD1-CE2 3.32Å; F194-Y198 HydrophobicContact CD1-CE2 3.32Å; F194-Y198 AromaticContact CD1-CZ 3.58Å; F194-Y198 HydrophobicContact CE1-CE2 4.15Å; F194-Y198 HydrophobicContact CG-CD2 4.46Å; F194-Y198 AromaticContact CG-CE2 3.9Å; F194-Y198 HydrophobicContact CG-CE2 3.9Å; F194-Y198 WeakPolarHBondContact O-CB 3.34Å; F194-Y198 WeakPolarHBondContact O-CD2 3.35Å; F194-Y198 PolarHBondContact O-N 2.98Å; T196-Y198 PolarHBondContact O-N 3.34Å; Y198-H200 WeakPolarHBondContact CB-NE2 3.48Å; Y198-H200 PolarHBondContact O-N 2.79Å; Y198-H200 VanDerWaalsContact O-N 3.13Å
199	R	93.5	Very high	94.7	Very high	40 Å²	40	61.4 Å²	61.4	15%	0.151	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	31.6	177.2	-59.3	-174.6	175.9	80.5	-5.7	113.2	M167 D169 P195 T196 R197 R201 H202 N260 E262	M167-R199 HydrophobicContact CE-CG 3.67Å; D169-R199 IonicContact OD1-CZ 3.69Å; D169-R199 IonicContact OD1-NH1 2.88Å; D169-R199 PolarHBondContact OD1-NH1 3.26Å; D169-R199 IonicContact OD1-NH2 3.41Å; D169-R199 IonicContact OD2-CZ 3.54Å; D169-R199 IonicContact OD2-NH1 3.16Å; D169-R199 PolarHBondContact OD2-NH1 3.26Å; D169-R199 VanDerWaalsContact OD2-NH1 3.11Å; D169-R199 IonicContact OD2-NH2 3.52Å; D169-R199 PolarHBondContact OD2-NH2 3.22Å; P195-R199 PolarHBondContact O-N 3.4Å; T196-R199 PolarHBondContact O-N 3.21Å; T196-R199 VanDerWaalsContact O-N 3.13Å; R197-R199 PolarHBondContact O-N 2.96Å; R199-R201 PolarHBondContact O-N 2.76Å; R199-H202 PolarHBondContact O-CD2 3.1Å; R199-H202 PolarHBondContact O-NE2 3.18Å; R199-N260 HydrophobicContact CG-CB 4.23Å; R199-N260 PolarHBondContact NE-O 2.93Å; R199-E262 PolarHBondContact NH2-O 2.98Å
200	H	93.1	Very high	95	Very high	136 Å²	136	56.2 Å²	56.2	63%	0.63	28%	0.284	S	S	*	.	S	Bend	trans	-62.2	-24.9	171	-62.4	176	0	0	0	111.5	P195 Y198	P195-H200 HydrophobicContact CB-CB 4.25Å; P195-H200 PolarHBondContact O-N 2.87Å; Y198-H200 WeakPolarHBondContact CB-NE2 3.48Å; Y198-H200 PolarHBondContact O-N 2.79Å; Y198-H200 VanDerWaalsContact O-N 3.13Å
201	R	88.8	Confident	95.1	Very high	150 Å²	150	54.7 Å²	54.7	57%	0.566	28%	0.275	S	S	*	.	S	Bend	trans	-128.2	130.6	168.2	-61.1	179.1	-179.7	161.4	-1.5	108.1	E192 R199 Y205 N260	E192-R201 IonicContact OE2-NH1 2.72Å; E192-R201 PolarHBondContact OE2-NH1 2.93Å; R199-R201 PolarHBondContact O-N 2.76Å; R201-Y205 VanDerWaalsContact CB-OH 3.24Å; R201-Y205 WeakPolarHBondContact CB-OH 3.28Å; R201-Y205 PolarHBondContact O-OH 2.84Å; R201-N260 PolarHBondContact O-ND2 2.84Å; R201-N260 PolarHBondContact O-OD1 3.16Å
202	H	95.4	Very high	95.2	Very high	128 Å²	128	51.1 Å²	51.1	59%	0.593	24%	0.244	S	C	*	.			trans	-95.9	134.8	175.3	-65.9	-178.3	0	0	0	110.3	R199 Y205 N260	R199-H202 PolarHBondContact O-CD2 3.1Å; R199-H202 PolarHBondContact O-NE2 3.18Å; H202-Y205 PolarHBondContact N-OH 3.22Å; H202-Y205 PolarHBondContact O-OH 2.92Å; H202-N260 WeakPolarHBondContact CA-OD1 3.27Å
203	G	97	Very high	95.4	Very high	11 Å²	11	46.6 Å²	46.6	11%	0.113	22%	0.224	C	C	.	.	S	Bend	trans	167.3	-172.2	179.7	0	0	0	0	0	113.1	Y205 C259 N260	G203-Y205 PolarHBondContact N-OH 3.06Å; G203-C259 WeakPolarHBondContact O-CA 3.45Å; G203-C259 PolarHBondContact O-SG 3.47Å; G203-C259 VanDerWaalsContact O-SG 3.32Å; G203-N260 PolarHBondContact N-OD1 3.12Å; G203-N260 PolarHBondContact O-N 2.97Å; G203-N260 PolarHBondContact O-OD1 3.04Å
204	C	97.6	Very high	95.6	Very high	26 Å²	26	46.7 Å²	46.7	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.4	165.6	-42.4	0	0	0	0	109.4	E159 V258 C259	E159-C204 WeakPolarHBondContact CG-SG 3.32Å; E159-C204 PolarHBondContact OE2-SG 3.05Å; C204-V258 CarbonylContact C-O 3.51Å; C204-V258 WeakPolarHBondContact CA-O 3.32Å; C204-C259 HydrophobicContact CB-CB 3.69Å; C204-C259 WeakPolarHBondContact CB-SG 3.38Å; C204-C259 WeakPolarHBondContact SG-CB 3.09Å; C204-C259 CovalentContact SG-SG 2.06Å; C204-C259 PolarHBondContact SG-SG 2.97Å
205	Y	96.6	Very high	95.8	Very high	58 Å²	58	42.9 Å²	42.9	23%	0.227	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.9	-166.4	-54.7	-74.7	0	0	0	111.2	T196 R201 H202 G203 V207 Y257 V258 N260	T196-Y205 HydrophobicContact CG2-CD2 3.83Å; T196-Y205 HydrophobicContact CG2-CE2 4.16Å; R201-Y205 VanDerWaalsContact CB-OH 3.24Å; R201-Y205 WeakPolarHBondContact CB-OH 3.28Å; R201-Y205 PolarHBondContact O-OH 2.84Å; H202-Y205 PolarHBondContact N-OH 3.22Å; H202-Y205 PolarHBondContact O-OH 2.92Å; G203-Y205 PolarHBondContact N-OH 3.06Å; Y205-V207 PolarHBondContact O-N 2.78Å; Y205-Y257 VanDerWaalsContact O-CA 3.25Å; Y205-Y257 WeakPolarHBondContact O-CA 3.34Å; Y205-V258 PolarHBondContact N-O 2.85Å; Y205-V258 PolarHBondContact O-N 2.92Å; Y205-N260 WeakPolarHBondContact CE2-OD1 3.48Å
206	P	97.8	Very high	96	Very high	82 Å²	82	41.3 Å²	41.3	53%	0.532	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.9	170.3	29.3	-32.9	0	0	0	109	Q255 M256 Y257	P206-Q255 HydrophobicContact CB-CG 3.85Å; P206-M256 WeakPolarHBondContact CA-O 3.4Å; P206-Y257 HydrophobicContact CB-CD1 4.41Å; P206-Y257 HydrophobicContact CB-CE1 4.1Å
207	V	97.6	Very high	96.2	Very high	5 Å²	5	41 Å²	41	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.4	177.1	-71.3	0	0	0	0	109.7	F177 W178 Y205 M209 V210 Q255 M256 V258	F177-V207 HydrophobicContact CD2-CG1 4.24Å; W178-V207 WeakPolarHBondContact O-CB 3.5Å; Y205-V207 PolarHBondContact O-N 2.78Å; V207-M209 PolarHBondContact O-N 3.47Å; V207-V210 HydrophobicContact CG2-CG1 3.49Å; V207-V210 VanDerWaalsContact CG2-CG1 3.49Å; V207-Q255 PolarHBondContact O-NE2 2.96Å; V207-M256 PolarHBondContact N-O 2.89Å; V207-V258 HydrophobicContact CG1-CG1 3.64Å; V207-V258 HydrophobicContact CG2-CB 4.12Å; V207-V258 HydrophobicContact CG2-CG1 4.13Å
208	P	96.7	Very high	96.4	Very high	54 Å²	54	41.4 Å²	41.4	35%	0.351	20%	0.199	S	C	.	.	S	Bend	trans	-69.2	-17.7	177.8	29	-38.9	0	0	0	113.5	W178 I181	W178-P208 WeakPolarHBondContact O-CD 3.46Å; W178-P208 WeakPolarHBondContact O-CG 3.41Å; I181-P208 HydrophobicContact CB-CB 4.45Å; I181-P208 HydrophobicContact CD1-CB 3.69Å; I181-P208 HydrophobicContact CD1-CG 4.25Å; I181-P208 HydrophobicContact CG1-CB 3.91Å; I181-P208 HydrophobicContact CG1-CG 3.98Å
209	M	96.3	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	136	179	-175.5	176.6	-73.3	0	0	112.5	F177 W178 I181 V207 I242 I243 A246	F177-M209 WeakPolarHBondContact CA-O 3.33Å; W178-M209 HydrophobicContact CB-CB 4.11Å; W178-M209 HydrophobicContact CD2-CB 4.37Å; W178-M209 HydrophobicContact CD2-CE 4.43Å; W178-M209 HydrophobicContact CD2-CG 4.41Å; W178-M209 HydrophobicContact CD2-SD 3.41Å; W178-M209 HydrophobicContact CE3-CB 4.41Å; W178-M209 HydrophobicContact CE3-CE 3.85Å; W178-M209 HydrophobicContact CE3-SD 3.45Å; W178-M209 HydrophobicContact CG-CB 4.25Å; W178-M209 HydrophobicContact CG-SD 4.07Å; W178-M209 HydrophobicContact CH2-CE 4.18Å; W178-M209 HydrophobicContact CH2-SD 3.87Å; W178-M209 HydrophobicContact CZ2-SD 3.85Å; W178-M209 HydrophobicContact CZ3-CE 3.7Å; W178-M209 HydrophobicContact CZ3-SD 3.67Å; W178-M209 PolarHBondContact N-O 2.87Å; I181-M209 HydrophobicContact CD1-CB 4.16Å; I181-M209 HydrophobicContact CD1-CE 3.96Å; V207-M209 PolarHBondContact O-N 3.47Å; M209-I242 HydrophobicContact SD-CB 4.47Å; M209-I242 HydrophobicContact SD-CD1 3.76Å; M209-I242 HydrophobicContact SD-CG1 4.12Å; M209-I243 HydrophobicContact CE-CB 4.35Å; M209-I243 HydrophobicContact CE-CG1 3.99Å; M209-A246 HydrophobicContact CB-CB 4.4Å; M209-A246 HydrophobicContact CE-CB 3.44Å; M209-A246 VanDerWaalsContact CE-CB 3.44Å; M209-A246 HydrophobicContact CG-CB 4.21Å
210	V	98.1	Very high	96.7	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.1	158.9	-60.1	0	0	0	0	108.9	V163 A165 N176 F177 V207 L214 M256 Y257 V258	V163-V210 HydrophobicContact CG1-CG2 3.98Å; A165-V210 HydrophobicContact CB-CB 3.52Å; A165-V210 HydrophobicContact CB-CG1 3.74Å; A165-V210 HydrophobicContact CB-CG2 3.88Å; N176-V210 WeakPolarHBondContact O-CA 3.19Å; F177-V210 HydrophobicContact CB-CG1 4.17Å; V207-V210 HydrophobicContact CG2-CG1 3.49Å; V207-V210 VanDerWaalsContact CG2-CG1 3.49Å; V210-L214 HydrophobicContact CG2-CB 4.18Å; V210-M256 HydrophobicContact CG1-CB 4.5Å; V210-M256 HydrophobicContact CG2-CB 4.2Å; V210-M256 HydrophobicContact CG2-CG 4.41Å; V210-M256 HydrophobicContact CG2-SD 3.98Å; V210-M256 PolarHBondContact N-SD 3.22Å; V210-M256 VanDerWaalsContact N-SD 3.4Å; V210-Y257 WeakPolarHBondContact CG1-O 3.46Å; V210-V258 HydrophobicContact CG1-CB 4.17Å
211	H	97.1	Very high	96.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.019	20%	0.2	C	C	.	.			trans	-147.8	179.4	-178.7	63.2	84.4	0	0	0	111.8	Y174 S175 N176 W178 T213 I242	Y174-H211 PolarHBondContact OH-CE1 2.86Å; S175-H211 PolarHBondContact O-CE1 2.81Å; S175-H211 PolarHBondContact O-NE2 3.33Å; N176-H211 WeakPolarHBondContact CB-O 3.25Å; N176-H211 PolarHBondContact O-N 2.97Å; W178-H211 AromaticContact NE1-NE2 3.78Å; H211-T213 PolarHBondContact O-N 3.44Å; H211-I242 HydrophobicContact CB-CB 3.79Å; H211-I242 HydrophobicContact CB-CD1 4.04Å; H211-I242 HydrophobicContact CB-CG2 3.5Å
212	S	96.5	Very high	96.7	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.091	19%	0.187	C	C	.	.	S	Bend	trans	63.2	-48.3	173.5	-61.9	0	0	0	0	117	A141 D142 N145	A141-S212 CarbonylContact C-O 3.58Å; A141-S212 WeakPolarHBondContact CA-O 3.01Å; D142-S212 PolarHBondContact N-O 3.19Å; D142-S212 WeakPolarHBondContact OD2-CA 3.38Å; D142-S212 WeakPolarHBondContact OD2-CB 3.4Å; D142-S212 PolarHBondContact OD2-OG 3.44Å; N145-S212 VanDerWaalsContact ND2-C 3.26Å; N145-S212 VanDerWaalsContact ND2-CB 3.33Å; N145-S212 WeakPolarHBondContact ND2-CB 3.41Å; N145-S212 PolarHBondContact ND2-O 2.98Å; N145-S212 VanDerWaalsContact ND2-O 3.14Å
213	T	98.3	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	116.1	168.7	-60.3	0	0	0	0	110.1	L139 Y140 A141 N145 L147 A165 P166 H211	L139-T213 HydrophobicContact CD1-CG2 4.3Å; Y140-T213 CarbonylContact O-C 3.56Å; Y140-T213 WeakPolarHBondContact O-CA 3.38Å; A141-T213 HydrophobicContact CB-CG2 4.01Å; N145-T213 VanDerWaalsContact CB-OG1 3.32Å; N145-T213 WeakPolarHBondContact CB-OG1 3.29Å; N145-T213 PolarHBondContact ND2-OG1 2.73Å; L147-T213 HydrophobicContact CD2-CG2 4.13Å; A165-T213 WeakPolarHBondContact CB-O 3.2Å; P166-T213 HydrophobicContact CG-CG2 3.87Å; H211-T213 PolarHBondContact O-N 3.44Å
214	L	98.2	Very high	96.3	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	147.1	178.9	62.5	144.4	0	0	0	112.8	Y140 V163 I164 A165 V210 L216 F245	Y140-L214 PolarHBondContact N-O 2.8Å; Y140-L214 PolarHBondContact O-N 2.61Å; V163-L214 HydrophobicContact CG1-CD1 3.79Å; I164-L214 CarbonylContact O-C 3.58Å; I164-L214 WeakPolarHBondContact O-CA 3.47Å; A165-L214 HydrophobicContact CB-CB 4.36Å; V210-L214 HydrophobicContact CG2-CB 4.18Å; L214-L216 HydrophobicContact CD1-CD1 3.48Å; L214-L216 VanDerWaalsContact CD1-CD1 3.48Å; L214-L216 HydrophobicContact CD1-CG 4.35Å; L214-L216 HydrophobicContact CG-CD1 3.99Å; L214-F245 HydrophobicContact CD1-CD1 4.38Å; L214-F245 HydrophobicContact CD1-CE1 3.58Å; L214-F245 HydrophobicContact CD1-CZ 4.24Å
215	L	98.8	Very high	96.2	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.8	174.3	-172.6	74.9	0	0	0	109.7	Y137 I138 L139 L153 M156 I157 I164	Y137-L215 HydrophobicContact CD1-CD1 4.26Å; Y137-L215 HydrophobicContact CD1-CD2 3.77Å; Y137-L215 HydrophobicContact CD1-CG 3.88Å; Y137-L215 HydrophobicContact CE1-CD2 4.13Å; Y137-L215 HydrophobicContact CG-CD1 4.44Å; I138-L215 WeakPolarHBondContact O-CA 3.19Å; L139-L215 HydrophobicContact CB-CD1 3.92Å; L139-L215 HydrophobicContact CD1-CB 4.38Å; L139-L215 HydrophobicContact CD1-CD1 4.34Å; L153-L215 HydrophobicContact CD1-CD1 3.75Å; L153-L215 HydrophobicContact CD1-CD2 4.26Å; M156-L215 HydrophobicContact CB-CB 4.45Å; M156-L215 HydrophobicContact CB-CD2 3.64Å; I157-L215 HydrophobicContact CG1-CD2 3.8Å; I164-L215 HydrophobicContact CG2-CB 3.99Å; I164-L215 HydrophobicContact CG2-CD2 4.46Å; I164-L215 PolarHBondContact N-O 2.75Å; I164-L215 PolarHBondContact O-N 2.71Å
216	L	98.7	Very high	96.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.6	176	-66.1	71.6	0	0	0	109.2	L127 Y137 I138 Y140 S162 V163 L214 L218 M223 F245	L127-L216 HydrophobicContact CD1-CD2 4.39Å; Y137-L216 VanDerWaalsContact CA-O 3.23Å; Y137-L216 WeakPolarHBondContact CA-O 3.21Å; Y137-L216 WeakPolarHBondContact CD1-O 3.41Å; I138-L216 HydrophobicContact CG2-CB 3.77Å; I138-L216 HydrophobicContact CG2-CD1 4.29Å; I138-L216 HydrophobicContact CG2-CD2 4.22Å; I138-L216 HydrophobicContact CG2-CG 4.32Å; I138-L216 PolarHBondContact N-O 3.43Å; I138-L216 PolarHBondContact O-N 2.76Å; Y140-L216 HydrophobicContact CD2-CD1 3.61Å; Y140-L216 HydrophobicContact CE2-CD1 3.8Å; Y140-L216 HydrophobicContact CE2-CD2 4.3Å; S162-L216 WeakPolarHBondContact O-CA 3.44Å; V163-L216 HydrophobicContact CG2-CG 4.49Å; L214-L216 HydrophobicContact CD1-CD1 3.48Å; L214-L216 VanDerWaalsContact CD1-CD1 3.48Å; L214-L216 HydrophobicContact CD1-CG 4.35Å; L214-L216 HydrophobicContact CG-CD1 3.99Å; L216-L218 HydrophobicContact CB-CD2 4.28Å; L216-L218 PolarHBondContact O-N 3.38Å; L216-M223 HydrophobicContact CB-CE 3.65Å; L216-M223 HydrophobicContact CD2-CE 4.01Å; L216-M223 HydrophobicContact CG-CE 3.98Å; L216-F245 HydrophobicContact CD2-CE2 4.48Å; L216-F245 HydrophobicContact CD2-CZ 3.96Å
217	D	98.4	Very high	96.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	93.8	174.6	-175.8	-14.8	0	0	0	110.8	Y137 K161 S162 R219 K220 M223	Y137-D217 HydrophobicContact CD1-CB 3.89Å; Y137-D217 HydrophobicContact CE1-CB 3.55Å; K161-D217 WeakPolarHBondContact O-CB 3.36Å; S162-D217 PolarHBondContact O-N 2.97Å; D217-R219 PolarHBondContact O-N 3.2Å; D217-R219 VanDerWaalsContact O-N 3.14Å; D217-R219 WeakPolarHBondContact OD1-CB 3.49Å; D217-R219 IonicContact OD1-CZ 3.03Å; D217-R219 PolarHBondContact OD1-N 3.36Å; D217-R219 IonicContact OD1-NE 3.43Å; D217-R219 PolarHBondContact OD1-NE 3.43Å; D217-R219 IonicContact OD1-NH2 3.49Å; D217-R219 PolarHBondContact OD1-NH2 3.47Å; D217-R219 IonicContact OD2-CZ 2.54Å; D217-R219 IonicContact OD2-NE 3.8Å; D217-R219 IonicContact OD2-NH2 3.59Å; D217-R219 PolarHBondContact OD2-NH2 2.91Å; D217-K220 HydrophobicContact CB-CD 4.35Å; D217-K220 HydrophobicContact CB-CG 4.5Å; D217-K220 PolarHBondContact O-N 3.47Å; D217-K220 VanDerWaalsContact OD2-CE 3.3Å; D217-K220 WeakPolarHBondContact OD2-CE 3.37Å; D217-M223 VanDerWaalsContact O-CG 3.23Å; D217-M223 WeakPolarHBondContact O-CG 3.45Å
218	L	98.2	Very high	96.1	Very high	26 Å²	26	36.7 Å²	36.7	14%	0.136	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.3	-172.5	-59.4	-176.8	0	0	0	114.1	L127 A130 D136 I138 L216 K220	L127-L218 HydrophobicContact CD1-CD2 3.68Å; A130-L218 HydrophobicContact CB-CD1 3.66Å; D136-L218 PolarHBondContact O-N 3.07Å; I138-L218 HydrophobicContact CB-CD1 4.33Å; I138-L218 HydrophobicContact CG2-CD1 3.99Å; I138-L218 HydrophobicContact CG2-CD2 3.94Å; I138-L218 HydrophobicContact CG2-CG 4.09Å; L216-L218 HydrophobicContact CB-CD2 4.28Å; L216-L218 PolarHBondContact O-N 3.38Å; L218-K220 PolarHBondContact O-N 2.87Å
219	R	96.8	Very high	96.2	Very high	113 Å²	113	37.2 Å²	37.2	43%	0.426	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.2	179.1	-54.3	169.5	-62.8	176	14	112.4	D136 Y137 D217	D136-R219 HydrophobicContact CB-CG 4Å; D136-R219 VanDerWaalsContact OD1-CD 3.27Å; D136-R219 WeakPolarHBondContact OD1-CD 3.14Å; Y137-R219 PolarHBondContact OH-NH2 3.15Å; D217-R219 PolarHBondContact O-N 3.2Å; D217-R219 VanDerWaalsContact O-N 3.14Å; D217-R219 WeakPolarHBondContact OD1-CB 3.49Å; D217-R219 IonicContact OD1-CZ 3.03Å; D217-R219 PolarHBondContact OD1-N 3.36Å; D217-R219 IonicContact OD1-NE 3.43Å; D217-R219 PolarHBondContact OD1-NE 3.43Å; D217-R219 IonicContact OD1-NH2 3.49Å; D217-R219 PolarHBondContact OD1-NH2 3.47Å; D217-R219 IonicContact OD2-CZ 2.54Å; D217-R219 IonicContact OD2-NE 3.8Å; D217-R219 IonicContact OD2-NH2 3.59Å; D217-R219 PolarHBondContact OD2-NH2 2.91Å
220	K	95.6	Very high	96.2	Very high	56 Å²	56	41.5 Å²	41.5	24%	0.243	20%	0.204	C	C	.	.	S	Bend	trans	-82.3	133.2	-177.4	-64.3	-177	-180	-177.1	0	111.5	N160 K161 S162 D217 L218 G222 M223	N160-K220 PolarHBondContact O-NZ 3.47Å; N160-K220 WeakPolarHBondContact OD1-CE 3.34Å; N160-K220 PolarHBondContact OD1-NZ 3.09Å; K161-K220 VanDerWaalsContact C-NZ 3.29Å; S162-K220 WeakPolarHBondContact OG-CD 3.21Å; D217-K220 HydrophobicContact CB-CD 4.35Å; D217-K220 HydrophobicContact CB-CG 4.5Å; D217-K220 PolarHBondContact O-N 3.47Å; D217-K220 VanDerWaalsContact OD2-CE 3.3Å; D217-K220 WeakPolarHBondContact OD2-CE 3.37Å; L218-K220 PolarHBondContact O-N 2.87Å; K220-G222 VanDerWaalsContact C-N 3.32Å; K220-G222 PolarHBondContact O-N 2.94Å; K220-M223 HydrophobicContact CB-CG 3.91Å; K220-M223 WeakPolarHBondContact O-CB 3.32Å; K220-M223 WeakPolarHBondContact O-CG 3.35Å; K220-M223 PolarHBondContact O-N 3Å
221	E	90.9	Very high	96.1	Very high	131 Å²	131	43 Å²	43	61%	0.612	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-54.2	-41.4	-175.1	-76.7	-61.9	138	0	0	114.3	M223 K224	E221-M223 PolarHBondContact O-N 2.89Å; E221-M223 VanDerWaalsContact O-N 3.09Å; E221-K224 PolarHBondContact O-N 3.3Å; E221-K224 IonicContact OE1-NZ 2.7Å; E221-K224 PolarHBondContact OE1-NZ 3.29Å; E221-K224 WeakPolarHBondContact OE2-CE 3.49Å; E221-K224 IonicContact OE2-NZ 3.72Å; E221-K224 PolarHBondContact OE2-NZ 3.45Å
222	G	89.4	Confident	96.1	Very high	29 Å²	29	46.7 Å²	46.7	30%	0.299	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-59.2	-23.3	178	0	0	0	0	0	113.9	K220 K224 K225	K220-G222 VanDerWaalsContact C-N 3.32Å; K220-G222 PolarHBondContact O-N 2.94Å; G222-K224 VanDerWaalsContact C-N 3.25Å; G222-K224 PolarHBondContact O-N 2.82Å; G222-K225 PolarHBondContact O-N 2.97Å
223	M	93	Very high	96	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.02	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-73.8	-15.4	-176.6	-57.5	-62	-72.9	0	0	113.4	R131 S162 V163 L216 D217 K220 E221 K225 L226 V254	R131-M223 PolarHBondContact NH2-O 2.69Å; S162-M223 VanDerWaalsContact O-CE 3.29Å; S162-M223 WeakPolarHBondContact O-CE 3.4Å; V163-M223 HydrophobicContact CG2-CE 3.88Å; V163-M223 HydrophobicContact CG2-SD 4.29Å; L216-M223 HydrophobicContact CB-CE 3.65Å; L216-M223 HydrophobicContact CD2-CE 4.01Å; L216-M223 HydrophobicContact CG-CE 3.98Å; D217-M223 VanDerWaalsContact O-CG 3.23Å; D217-M223 WeakPolarHBondContact O-CG 3.45Å; K220-M223 HydrophobicContact CB-CG 3.91Å; K220-M223 WeakPolarHBondContact O-CB 3.32Å; K220-M223 WeakPolarHBondContact O-CG 3.35Å; K220-M223 PolarHBondContact O-N 3Å; E221-M223 PolarHBondContact O-N 2.89Å; E221-M223 VanDerWaalsContact O-N 3.09Å; M223-K225 PolarHBondContact O-N 2.85Å; M223-L226 HydrophobicContact CE-CD1 3.41Å; M223-L226 VanDerWaalsContact CE-CD1 3.41Å; M223-L226 PolarHBondContact O-N 3.02Å; M223-L226 HydrophobicContact SD-CD1 3.44Å; M223-L226 WeakPolarHBondContact SD-CD1 3.48Å; M223-L226 HydrophobicContact SD-CG 4.27Å; M223-V254 HydrophobicContact SD-CG1 4.02Å; M223-V254 HydrophobicContact SD-CG2 4.47Å
224	K	92.7	Very high	95.8	Very high	132 Å²	132	60.8 Å²	60.8	57%	0.574	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.4	-27.9	175.3	-66.6	176.4	-175.2	163.2	0	112.4	E221 G222	E221-K224 PolarHBondContact O-N 3.3Å; E221-K224 IonicContact OE1-NZ 2.7Å; E221-K224 PolarHBondContact OE1-NZ 3.29Å; E221-K224 WeakPolarHBondContact OE2-CE 3.49Å; E221-K224 IonicContact OE2-NZ 3.72Å; E221-K224 PolarHBondContact OE2-NZ 3.45Å; G222-K224 VanDerWaalsContact C-N 3.25Å; G222-K224 PolarHBondContact O-N 2.82Å
225	K	93.9	Very high	95.7	Very high	163 Å²	163	62.2 Å²	62.2	71%	0.709	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-84.9	-14.4	-179	-63.1	-179.7	-179.5	179	0	113.8	G222 M223 A252	G222-K225 PolarHBondContact O-N 2.97Å; M223-K225 PolarHBondContact O-N 2.85Å; K225-A252 HydrophobicContact CB-CB 3.99Å
226	L	95.7	Very high	95.4	Very high	2 Å²	2	67 Å²	67	1%	0.01	34%	0.338	C	S	.	.			trans	-72.3	139.9	-177.8	-61.4	-170.1	0	0	0	111.9	R131 V163 M223 F245 C249 A252 V254	R131-L226 PolarHBondContact NH2-O 3.13Å; V163-L226 HydrophobicContact CG2-CD1 4.17Å; M223-L226 HydrophobicContact CE-CD1 3.41Å; M223-L226 VanDerWaalsContact CE-CD1 3.41Å; M223-L226 PolarHBondContact O-N 3.02Å; M223-L226 HydrophobicContact SD-CD1 3.44Å; M223-L226 WeakPolarHBondContact SD-CD1 3.48Å; M223-L226 HydrophobicContact SD-CG 4.27Å; L226-F245 HydrophobicContact CB-CE2 4.49Å; L226-F245 HydrophobicContact CD1-CE2 4.41Å; L226-F245 HydrophobicContact CD1-CZ 4.3Å; L226-C249 HydrophobicContact CD2-CB 4.31Å; L226-A252 HydrophobicContact CD2-CB 3.66Å; L226-V254 HydrophobicContact CD1-CG1 4.49Å; L226-V254 HydrophobicContact CD2-CB 4.37Å; L226-V254 HydrophobicContact CD2-CG2 4.15Å
227	A	97	Very high	95.1	Very high	26 Å²	26	68.6 Å²	68.6	22%	0.215	34%	0.344	C	S	.	.			trans	-146.2	142.9	175.5	0	0	0	0	0	110.7	S248	A227-S248 PolarHBondContact N-OG 2.94Å; A227-S248 VanDerWaalsContact O-CB 3.28Å; A227-S248 WeakPolarHBondContact O-CB 3.35Å; A227-S248 PolarHBondContact O-OG 2.8Å
228	F	97.7	Very high	95	Very high	3 Å²	3	69.9 Å²	69.9	1%	0.013	35%	0.353	C	S	.	.	S	Bend	trans	-87	-29.6	163	-69.3	-86.6	0	0	0	110.9	K123 Q124 L127 Y140 F245	K123-F228 HydrophobicContact CB-CB 3.92Å; K123-F228 HydrophobicContact CB-CD1 3.78Å; K123-F228 HydrophobicContact CB-CD2 3.84Å; K123-F228 HydrophobicContact CB-CE1 4.22Å; K123-F228 HydrophobicContact CB-CE2 4.28Å; K123-F228 HydrophobicContact CB-CG 3.57Å; K123-F228 HydrophobicContact CB-CZ 4.45Å; K123-F228 HydrophobicContact CD-CD1 3.77Å; K123-F228 HydrophobicContact CD-CE1 3.81Å; K123-F228 HydrophobicContact CD-CG 4.46Å; K123-F228 HydrophobicContact CG-CD1 4.38Å; Q124-F228 HydrophobicContact CB-CB 4.26Å; L127-F228 HydrophobicContact CD2-CD2 4.23Å; L127-F228 HydrophobicContact CD2-CE2 4.4Å; Y140-F228 HydrophobicContact CD2-CZ 4.29Å; Y140-F228 HydrophobicContact CE1-CE2 4.31Å; Y140-F228 HydrophobicContact CE1-CZ 4.46Å; Y140-F228 AromaticContact CE2-CE2 3.75Å; Y140-F228 HydrophobicContact CE2-CE2 3.75Å; Y140-F228 AromaticContact CE2-CZ 3.91Å; Y140-F228 HydrophobicContact CE2-CZ 3.91Å; Y140-F228 AromaticContact CZ-CE2 3.59Å; Y140-F228 AromaticContact CZ-CZ 3.99Å; Y140-F228 WeakPolarHBondContact OH-CE2 3.26Å; F228-F245 HydrophobicContact CD1-CB 3.77Å; F228-F245 AromaticContact CD1-CD2 3.56Å; F228-F245 HydrophobicContact CD1-CD2 3.56Å; F228-F245 HydrophobicContact CD1-CE2 4.34Å; F228-F245 AromaticContact CD1-CG 3.74Å; F228-F245 HydrophobicContact CD1-CG 3.74Å; F228-F245 HydrophobicContact CD2-CD2 4.13Å; F228-F245 HydrophobicContact CD2-CE2 4.23Å; F228-F245 HydrophobicContact CE1-CB 3.75Å; F228-F245 AromaticContact CE1-CD1 3.83Å; F228-F245 HydrophobicContact CE1-CD1 3.83Å; F228-F245 AromaticContact CE1-CD2 3.35Å; F228-F245 HydrophobicContact CE1-CD2 3.35Å; F228-F245 HydrophobicContact CE1-CE1 4.29Å; F228-F245 AromaticContact CE1-CE2 3.86Å; F228-F245 HydrophobicContact CE1-CE2 3.86Å; F228-F245 AromaticContact CE1-CG 3.34Å; F228-F245 HydrophobicContact CE1-CG 3.34Å; F228-F245 HydrophobicContact CE1-CZ 4.3Å; F228-F245 AromaticContact CE2-CD2 3.95Å; F228-F245 HydrophobicContact CE2-CD2 3.95Å; F228-F245 AromaticContact CE2-CE2 3.74Å; F228-F245 HydrophobicContact CE2-CE2 3.74Å; F228-F245 HydrophobicContact CE2-CZ 4.33Å; F228-F245 AromaticContact CG-CD2 3.95Å; F228-F245 HydrophobicContact CG-CD2 3.95Å; F228-F245 HydrophobicContact CZ-CD1 4.15Å; F228-F245 AromaticContact CZ-CD2 3.57Å; F228-F245 HydrophobicContact CZ-CD2 3.57Å; F228-F245 HydrophobicContact CZ-CE1 4.13Å; F228-F245 AromaticContact CZ-CE2 3.54Å; F228-F245 HydrophobicContact CZ-CE2 3.54Å; F228-F245 AromaticContact CZ-CG 3.88Å; F228-F245 HydrophobicContact CZ-CG 3.88Å; F228-F245 AromaticContact CZ-CZ 3.84Å; F228-F245 HydrophobicContact CZ-CZ 3.84Å
229	Y	98.1	Very high	94.8	Very high	65 Å²	65	71.9 Å²	71.9	26%	0.255	36%	0.359	S	S	.	.	S	Bend	trans	-155.1	145.2	-179.4	-168.4	-93.1	0	0	0	111.7	E117 M120 K121 Q124	E117-Y229 HydrophobicContact CG-CD2 4.49Å; E117-Y229 HydrophobicContact CG-CE2 3.73Å; M120-Y229 HydrophobicContact CB-CD2 4.22Å; K121-Y229 HydrophobicContact CD-CE1 4.26Å; K121-Y229 VanDerWaalsContact CE-OH 3.26Å; K121-Y229 WeakPolarHBondContact CE-OH 3.16Å; K121-Y229 HydrophobicContact CG-CD1 3.64Å; K121-Y229 HydrophobicContact CG-CD2 4.14Å; K121-Y229 HydrophobicContact CG-CE1 3.84Å; K121-Y229 HydrophobicContact CG-CE2 4.32Å; K121-Y229 HydrophobicContact CG-CG 3.79Å; Q124-Y229 VanDerWaalsContact CG-O 3.26Å; Q124-Y229 WeakPolarHBondContact CG-O 3.28Å; Q124-Y229 PolarHBondContact OE1-O 2.82Å
230	P	97.4	Very high	94.7	Very high	90 Å²	90	67.9 Å²	67.9	58%	0.584	35%	0.346	S	S	*	.	S	Bend	cis	-63.5	160.1	-12	30.1	-35.6	0	0	0	111.4
231	P	96.6	Very high	94.7	Very high	35 Å²	35	65.7 Å²	65.7	23%	0.227	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-54.1	153.3	169.6	-23	33	0	0	0	111.3	Y235 Y239 V244	P231-Y235 HydrophobicContact CB-CD1 4.23Å; P231-Y235 HydrophobicContact CB-CG 4.14Å; P231-Y239 HydrophobicContact CG-CE2 3.97Å; P231-V244 HydrophobicContact CB-CG1 4.05Å; P231-V244 HydrophobicContact CG-CG1 4.18Å
232	H	95.6	Very high	95	Very high	80 Å²	80	60.8 Å²	60.8	37%	0.37	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-57.1	148.2	175.6	-168.5	-84.9	0	0	0	111.1	D234 Y235 F247	H232-D234 VanDerWaalsContact C-N 3.27Å; H232-D234 IonicContact CE1-OD2 3.32Å; H232-D234 PolarHBondContact CE1-OD2 3.1Å; H232-D234 PolarHBondContact ND1-N 2.93Å; H232-D234 VanDerWaalsContact ND1-N 3.19Å; H232-D234 IonicContact ND1-OD2 3.45Å; H232-D234 PolarHBondContact O-N 2.72Å; H232-Y235 WeakPolarHBondContact O-CB 3.42Å; H232-Y235 PolarHBondContact O-N 3.16Å; H232-F247 HydrophobicContact CB-CD1 4Å; H232-F247 HydrophobicContact CB-CE1 3.89Å
233	E	94.8	Very high	95.3	Very high	190 Å²	190	59.8 Å²	59.8	89%	0.888	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.9	-175.8	-62.7	-179.8	175.8	0	0	112.3	Y235	E233-Y235 VanDerWaalsContact C-N 3.25Å; E233-Y235 PolarHBondContact O-N 3.42Å
234	D	94.2	Very high	95.6	Very high	119 Å²	119	59.7 Å²	59.7	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	10.3	175.6	-56.2	-43.3	0	0	0	115	H232 S236	H232-D234 VanDerWaalsContact C-N 3.27Å; H232-D234 IonicContact CE1-OD2 3.32Å; H232-D234 PolarHBondContact CE1-OD2 3.1Å; H232-D234 PolarHBondContact ND1-N 2.93Å; H232-D234 VanDerWaalsContact ND1-N 3.19Å; H232-D234 IonicContact ND1-OD2 3.45Å; H232-D234 PolarHBondContact O-N 2.72Å; D234-S236 PolarHBondContact O-N 3.39Å
235	Y	95.3	Very high	95.8	Very high	37 Å²	37	53.7 Å²	53.7	15%	0.145	28%	0.276	C	S	.	.			trans	-69.3	123.2	-176.7	-171.6	-99.3	0	0	0	111.8	P231 H232 E233 W237 P238 I243 V244 F247	P231-Y235 HydrophobicContact CB-CD1 4.23Å; P231-Y235 HydrophobicContact CB-CG 4.14Å; H232-Y235 WeakPolarHBondContact O-CB 3.42Å; H232-Y235 PolarHBondContact O-N 3.16Å; E233-Y235 VanDerWaalsContact C-N 3.25Å; E233-Y235 PolarHBondContact O-N 3.42Å; Y235-W237 HydrophobicContact CE1-CB 4.19Å; Y235-W237 WeakPolarHBondContact CE1-O 3.4Å; Y235-W237 HydrophobicContact CE2-CB 3.73Å; Y235-W237 HydrophobicContact CE2-CG 4.48Å; Y235-W237 WeakPolarHBondContact OH-CB 3.31Å; Y235-P238 PolarHBondContact OH-O 2.62Å; Y235-I243 VanDerWaalsContact OH-CG2 3.26Å; Y235-I243 WeakPolarHBondContact OH-CG2 3.44Å; Y235-V244 HydrophobicContact CD1-CG2 4.42Å; Y235-V244 HydrophobicContact CE1-CG2 3.68Å; Y235-V244 HydrophobicContact CE2-CB 4.3Å; Y235-V244 HydrophobicContact CE2-CG2 3.92Å; Y235-V244 WeakPolarHBondContact OH-CG2 3.44Å; Y235-V244 PolarHBondContact OH-N 3.17Å; Y235-F247 HydrophobicContact CD2-CB 3.71Å; Y235-F247 AromaticContact CD2-CD1 3.73Å; Y235-F247 HydrophobicContact CD2-CD1 3.73Å; Y235-F247 HydrophobicContact CD2-CD2 4.04Å; Y235-F247 HydrophobicContact CD2-CE1 4.35Å; Y235-F247 AromaticContact CD2-CG 3.56Å; Y235-F247 HydrophobicContact CD2-CG 3.56Å; Y235-F247 HydrophobicContact CE2-CB 3.6Å; Y235-F247 HydrophobicContact CE2-CD1 4.49Å; Y235-F247 HydrophobicContact CE2-CD2 4.32Å; Y235-F247 AromaticContact CE2-CG 3.91Å; Y235-F247 HydrophobicContact CE2-CG 3.91Å
236	S	93	Very high	95.9	Very high	104 Å²	104	46.1 Å²	46.1	73%	0.727	24%	0.244	S	C	*	.			trans	-134.1	11	-177.7	51.2	0	0	0	0	113.6	D234	D234-S236 PolarHBondContact O-N 3.39Å
237	W	93.8	Very high	96	Very high	34 Å²	34	46.9 Å²	46.9	13%	0.129	25%	0.247	C	C	.	.	S	Bend	trans	-91.5	173.1	-178.8	-72.6	0.9	0	0	0	111.6	I181 P183 G185 Y235 I243 F247	I181-W237 HydrophobicContact CG2-CH2 4.17Å; I181-W237 HydrophobicContact CG2-CZ3 4.44Å; P183-W237 PolarHBondContact O-NE1 3.18Å; G185-W237 VanDerWaalsContact CA-CD2 3.46Å; Y235-W237 HydrophobicContact CE1-CB 4.19Å; Y235-W237 WeakPolarHBondContact CE1-O 3.4Å; Y235-W237 HydrophobicContact CE2-CB 3.73Å; Y235-W237 HydrophobicContact CE2-CG 4.48Å; Y235-W237 WeakPolarHBondContact OH-CB 3.31Å; W237-I243 HydrophobicContact CB-CG2 3.93Å; W237-I243 HydrophobicContact CD2-CG2 4.4Å; W237-I243 HydrophobicContact CE3-CG2 3.66Å; W237-F247 AromaticContact CD2-CD2 3.74Å; W237-F247 HydrophobicContact CD2-CD2 3.74Å; W237-F247 HydrophobicContact CD2-CE2 4.42Å; W237-F247 AromaticContact CE2-CD2 3.92Å; W237-F247 HydrophobicContact CE3-CB 4Å; W237-F247 AromaticContact CE3-CD2 3.73Å; W237-F247 HydrophobicContact CE3-CD2 3.73Å; W237-F247 HydrophobicContact CE3-CG 4.36Å; W237-F247 HydrophobicContact CG-CD2 4.35Å; W237-F247 HydrophobicContact CH2-CD2 4.11Å; W237-F247 HydrophobicContact CZ2-CD2 4.11Å; W237-F247 HydrophobicContact CZ3-CB 4.11Å; W237-F247 AromaticContact CZ3-CD2 3.93Å; W237-F247 HydrophobicContact CZ3-CD2 3.93Å
238	P	94.6	Very high	96	Very high	29 Å²	29	46.1 Å²	46.1	19%	0.188	24%	0.24	C	C	.	.			trans	-55.4	140.7	178.7	-26.6	34.7	0	0	0	112.5	Q184 Y186 Y235 D240 I243	Q184-P238 WeakPolarHBondContact O-CD 3.26Å; Y186-P238 HydrophobicContact CD1-CG 4.28Å; Y186-P238 HydrophobicContact CD2-CG 4.18Å; Y186-P238 HydrophobicContact CE1-CB 4.3Å; Y186-P238 HydrophobicContact CE1-CG 3.62Å; Y186-P238 HydrophobicContact CE2-CG 3.5Å; Y186-P238 VanDerWaalsContact CE2-CG 3.5Å; Y186-P238 VanDerWaalsContact OH-CG 3.29Å; Y186-P238 WeakPolarHBondContact OH-CG 3.21Å; Y235-P238 PolarHBondContact OH-O 2.62Å; P238-D240 PolarHBondContact O-N 3.16Å; P238-I243 HydrophobicContact CB-CD1 4.12Å; P238-I243 HydrophobicContact CG-CD1 4.35Å
239	Y	95	Very high	96	Very high	68 Å²	68	46 Å²	46	27%	0.267	24%	0.24	S	C	.	.	S	Bend	trans	-78.5	91.3	-177.5	-163.4	-96.7	0	0	0	111	N113 Y116 E117 M120 P231	N113-Y239 HydrophobicContact CB-CD1 4.24Å; Y116-Y239 WeakPolarHBondContact CD2-O 3.41Å; E117-Y239 HydrophobicContact CB-CE1 4.08Å; E117-Y239 WeakPolarHBondContact CB-OH 3.34Å; E117-Y239 WeakPolarHBondContact CG-OH 3.33Å; E117-Y239 PolarHBondContact OE2-OH 3.34Å; M120-Y239 HydrophobicContact CE-CD1 4.31Å; M120-Y239 HydrophobicContact CE-CE1 3.54Å; M120-Y239 HydrophobicContact CE-CE2 3.9Å; M120-Y239 VanDerWaalsContact CE-OH 3.28Å; M120-Y239 WeakPolarHBondContact CE-OH 3.07Å; P231-Y239 HydrophobicContact CG-CE2 3.97Å
240	D	95.5	Very high	95.8	Very high	29 Å²	29	50.7 Å²	50.7	16%	0.155	26%	0.257	C	S	.	.			trans	-147.6	139.3	-173.9	170.3	-68.1	0	0	0	108.2	Y116 P238 I242 I243 V244	Y116-D240 HydrophobicContact CE1-CB 4.23Å; Y116-D240 PolarHBondContact OH-OD2 3.3Å; P238-D240 PolarHBondContact O-N 3.16Å; D240-I242 VanDerWaalsContact C-N 3.33Å; D240-I242 PolarHBondContact O-N 3.37Å; D240-I242 WeakPolarHBondContact OD1-CG1 3.42Å; D240-I242 PolarHBondContact OD1-N 3.33Å; D240-I243 HydrophobicContact CB-CB 4.15Å; D240-I243 HydrophobicContact CB-CD1 3.93Å; D240-I243 HydrophobicContact CB-CG1 4.02Å; D240-I243 PolarHBondContact O-N 3.37Å; D240-I243 PolarHBondContact OD1-N 3.35Å; D240-I243 VanDerWaalsContact OD1-N 3.09Å; D240-V244 WeakPolarHBondContact O-CB 3.44Å; D240-V244 WeakPolarHBondContact O-CG2 3.43Å; D240-V244 PolarHBondContact O-N 3.32Å
241	D	95.3	Very high	95.7	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-31.4	-169.9	69.9	-58.4	0	0	0	113.7	Y116 M120 K123 F245	Y116-D241 HydrophobicContact CD1-CB 4.27Å; M120-D241 HydrophobicContact CG-CB 3.49Å; M120-D241 VanDerWaalsContact CG-CB 3.49Å; M120-D241 HydrophobicContact SD-CB 4.25Å; K123-D241 IonicContact NZ-OD2 3.77Å; K123-D241 PolarHBondContact NZ-OD2 3.1Å; D241-F245 WeakPolarHBondContact O-CB 3.23Å; D241-F245 PolarHBondContact O-N 3.29Å
242	I	96.3	Very high	95.7	Very high	29 Å²	29	47.8 Å²	47.8	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-79.4	-36.5	179	68.7	160.8	0	0	0	110.7	W178 M209 H211 D240 A246	W178-I242 HydrophobicContact CZ2-CD1 3.98Å; M209-I242 HydrophobicContact SD-CB 4.47Å; M209-I242 HydrophobicContact SD-CD1 3.76Å; M209-I242 HydrophobicContact SD-CG1 4.12Å; H211-I242 HydrophobicContact CB-CB 3.79Å; H211-I242 HydrophobicContact CB-CD1 4.04Å; H211-I242 HydrophobicContact CB-CG2 3.5Å; D240-I242 VanDerWaalsContact C-N 3.33Å; D240-I242 PolarHBondContact O-N 3.37Å; D240-I242 WeakPolarHBondContact OD1-CG1 3.42Å; D240-I242 PolarHBondContact OD1-N 3.33Å; I242-A246 WeakPolarHBondContact O-CB 3.43Å; I242-A246 PolarHBondContact O-N 2.95Å
243	I	96.9	Very high	95.7	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-70.5	-43.4	177.1	-57.8	179.8	0	0	0	110.9	W178 M209 Y235 W237 P238 D240 F245 A246 F247	W178-I243 HydrophobicContact CH2-CD1 4.25Å; W178-I243 HydrophobicContact CH2-CG1 4.19Å; M209-I243 HydrophobicContact CE-CB 4.35Å; M209-I243 HydrophobicContact CE-CG1 3.99Å; Y235-I243 VanDerWaalsContact OH-CG2 3.26Å; Y235-I243 WeakPolarHBondContact OH-CG2 3.44Å; W237-I243 HydrophobicContact CB-CG2 3.93Å; W237-I243 HydrophobicContact CD2-CG2 4.4Å; W237-I243 HydrophobicContact CE3-CG2 3.66Å; P238-I243 HydrophobicContact CB-CD1 4.12Å; P238-I243 HydrophobicContact CG-CD1 4.35Å; D240-I243 HydrophobicContact CB-CB 4.15Å; D240-I243 HydrophobicContact CB-CD1 3.93Å; D240-I243 HydrophobicContact CB-CG1 4.02Å; D240-I243 PolarHBondContact O-N 3.37Å; D240-I243 PolarHBondContact OD1-N 3.35Å; D240-I243 VanDerWaalsContact OD1-N 3.09Å; I243-F245 PolarHBondContact O-N 3.03Å; I243-A246 PolarHBondContact O-N 3.26Å; I243-F247 PolarHBondContact O-N 3.4Å
244	V	97.4	Very high	95.8	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-46.2	176.9	170.1	0	0	0	0	110.7	M120 P231 Y235 D240 F247 S248	M120-V244 HydrophobicContact CE-CG2 4.44Å; M120-V244 HydrophobicContact SD-CB 3.71Å; M120-V244 HydrophobicContact SD-CG1 3.72Å; M120-V244 HydrophobicContact SD-CG2 3.82Å; P231-V244 HydrophobicContact CB-CG1 4.05Å; P231-V244 HydrophobicContact CG-CG1 4.18Å; Y235-V244 HydrophobicContact CD1-CG2 4.42Å; Y235-V244 HydrophobicContact CE1-CG2 3.68Å; Y235-V244 HydrophobicContact CE2-CB 4.3Å; Y235-V244 HydrophobicContact CE2-CG2 3.92Å; Y235-V244 WeakPolarHBondContact OH-CG2 3.44Å; Y235-V244 PolarHBondContact OH-N 3.17Å; D240-V244 WeakPolarHBondContact O-CB 3.44Å; D240-V244 WeakPolarHBondContact O-CG2 3.43Å; D240-V244 PolarHBondContact O-N 3.32Å; V244-F247 PolarHBondContact O-N 3.24Å; V244-S248 PolarHBondContact O-N 2.98Å
245	F	97.7	Very high	96	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.022	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-38.6	179	-176.7	-112	0	0	0	112.8	V163 L214 L216 L226 F228 D241 I243 F247 S248 C249 M256	V163-F245 HydrophobicContact CG1-CE1 4.4Å; L214-F245 HydrophobicContact CD1-CD1 4.38Å; L214-F245 HydrophobicContact CD1-CE1 3.58Å; L214-F245 HydrophobicContact CD1-CZ 4.24Å; L216-F245 HydrophobicContact CD2-CE2 4.48Å; L216-F245 HydrophobicContact CD2-CZ 3.96Å; L226-F245 HydrophobicContact CB-CE2 4.49Å; L226-F245 HydrophobicContact CD1-CE2 4.41Å; L226-F245 HydrophobicContact CD1-CZ 4.3Å; F228-F245 HydrophobicContact CD1-CB 3.77Å; F228-F245 AromaticContact CD1-CD2 3.56Å; F228-F245 HydrophobicContact CD1-CD2 3.56Å; F228-F245 HydrophobicContact CD1-CE2 4.34Å; F228-F245 AromaticContact CD1-CG 3.74Å; F228-F245 HydrophobicContact CD1-CG 3.74Å; F228-F245 HydrophobicContact CD2-CD2 4.13Å; F228-F245 HydrophobicContact CD2-CE2 4.23Å; F228-F245 HydrophobicContact CE1-CB 3.75Å; F228-F245 AromaticContact CE1-CD1 3.83Å; F228-F245 HydrophobicContact CE1-CD1 3.83Å; F228-F245 AromaticContact CE1-CD2 3.35Å; F228-F245 HydrophobicContact CE1-CD2 3.35Å; F228-F245 HydrophobicContact CE1-CE1 4.29Å; F228-F245 AromaticContact CE1-CE2 3.86Å; F228-F245 HydrophobicContact CE1-CE2 3.86Å; F228-F245 AromaticContact CE1-CG 3.34Å; F228-F245 HydrophobicContact CE1-CG 3.34Å; F228-F245 HydrophobicContact CE1-CZ 4.3Å; F228-F245 AromaticContact CE2-CD2 3.95Å; F228-F245 HydrophobicContact CE2-CD2 3.95Å; F228-F245 AromaticContact CE2-CE2 3.74Å; F228-F245 HydrophobicContact CE2-CE2 3.74Å; F228-F245 HydrophobicContact CE2-CZ 4.33Å; F228-F245 AromaticContact CG-CD2 3.95Å; F228-F245 HydrophobicContact CG-CD2 3.95Å; F228-F245 HydrophobicContact CZ-CD1 4.15Å; F228-F245 AromaticContact CZ-CD2 3.57Å; F228-F245 HydrophobicContact CZ-CD2 3.57Å; F228-F245 HydrophobicContact CZ-CE1 4.13Å; F228-F245 AromaticContact CZ-CE2 3.54Å; F228-F245 HydrophobicContact CZ-CE2 3.54Å; F228-F245 AromaticContact CZ-CG 3.88Å; F228-F245 HydrophobicContact CZ-CG 3.88Å; F228-F245 AromaticContact CZ-CZ 3.84Å; F228-F245 HydrophobicContact CZ-CZ 3.84Å; D241-F245 WeakPolarHBondContact O-CB 3.23Å; D241-F245 PolarHBondContact O-N 3.29Å; I243-F245 PolarHBondContact O-N 3.03Å; F245-F247 VanDerWaalsContact C-N 3.31Å; F245-F247 PolarHBondContact O-N 3.5Å; F245-S248 WeakPolarHBondContact O-CB 3.45Å; F245-S248 PolarHBondContact O-N 2.93Å; F245-C249 PolarHBondContact O-N 2.88Å; F245-C249 PolarHBondContact O-SG 3.04Å; F245-M256 HydrophobicContact CD1-CE 3.72Å; F245-M256 HydrophobicContact CE1-CE 3.75Å
246	A	97.1	Very high	96.1	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-41.1	173.5	0	0	0	0	0	112.4	M209 I242 I243 C249 R250 M256	M209-A246 HydrophobicContact CB-CB 4.4Å; M209-A246 HydrophobicContact CE-CB 3.44Å; M209-A246 VanDerWaalsContact CE-CB 3.44Å; M209-A246 HydrophobicContact CG-CB 4.21Å; I242-A246 WeakPolarHBondContact O-CB 3.43Å; I242-A246 PolarHBondContact O-N 2.95Å; I243-A246 PolarHBondContact O-N 3.26Å; A246-C249 PolarHBondContact O-N 3.11Å; A246-R250 PolarHBondContact O-N 3.29Å; A246-M256 HydrophobicContact CB-CE 4.11Å
247	F	96.8	Very high	96.4	Very high	18 Å²	18	38.9 Å²	38.9	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-41.7	173.2	-170.8	-81.7	0	0	0	112	H232 Y235 W237 I243 V244 F245 C249 R250 A251	H232-F247 HydrophobicContact CB-CD1 4Å; H232-F247 HydrophobicContact CB-CE1 3.89Å; Y235-F247 HydrophobicContact CD2-CB 3.71Å; Y235-F247 AromaticContact CD2-CD1 3.73Å; Y235-F247 HydrophobicContact CD2-CD1 3.73Å; Y235-F247 HydrophobicContact CD2-CD2 4.04Å; Y235-F247 HydrophobicContact CD2-CE1 4.35Å; Y235-F247 AromaticContact CD2-CG 3.56Å; Y235-F247 HydrophobicContact CD2-CG 3.56Å; Y235-F247 HydrophobicContact CE2-CB 3.6Å; Y235-F247 HydrophobicContact CE2-CD1 4.49Å; Y235-F247 HydrophobicContact CE2-CD2 4.32Å; Y235-F247 AromaticContact CE2-CG 3.91Å; Y235-F247 HydrophobicContact CE2-CG 3.91Å; W237-F247 AromaticContact CD2-CD2 3.74Å; W237-F247 HydrophobicContact CD2-CD2 3.74Å; W237-F247 HydrophobicContact CD2-CE2 4.42Å; W237-F247 AromaticContact CE2-CD2 3.92Å; W237-F247 HydrophobicContact CE3-CB 4Å; W237-F247 AromaticContact CE3-CD2 3.73Å; W237-F247 HydrophobicContact CE3-CD2 3.73Å; W237-F247 HydrophobicContact CE3-CG 4.36Å; W237-F247 HydrophobicContact CG-CD2 4.35Å; W237-F247 HydrophobicContact CH2-CD2 4.11Å; W237-F247 HydrophobicContact CZ2-CD2 4.11Å; W237-F247 HydrophobicContact CZ3-CB 4.11Å; W237-F247 AromaticContact CZ3-CD2 3.93Å; W237-F247 HydrophobicContact CZ3-CD2 3.93Å; I243-F247 PolarHBondContact O-N 3.4Å; V244-F247 PolarHBondContact O-N 3.24Å; F245-F247 VanDerWaalsContact C-N 3.31Å; F245-F247 PolarHBondContact O-N 3.5Å; F247-C249 VanDerWaalsContact C-N 3.3Å; F247-C249 PolarHBondContact O-N 2.89Å; F247-R250 WeakPolarHBondContact O-CB 3.31Å; F247-R250 PolarHBondContact O-N 2.97Å; F247-R250 VanDerWaalsContact O-N 3.16Å; F247-A251 HydrophobicContact CD1-CB 4.39Å; F247-A251 HydrophobicContact CE1-CB 4.22Å; F247-A251 WeakPolarHBondContact O-CB 3.46Å; F247-A251 PolarHBondContact O-N 3.45Å
248	S	97.1	Very high	96.6	Very high	11 Å²	11	37.2 Å²	37.2	8%	0.077	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-43.8	175.6	-177.8	0	0	0	0	111.7	A227 V244 F245 A251 A252	A227-S248 PolarHBondContact N-OG 2.94Å; A227-S248 VanDerWaalsContact O-CB 3.28Å; A227-S248 WeakPolarHBondContact O-CB 3.35Å; A227-S248 PolarHBondContact O-OG 2.8Å; V244-S248 PolarHBondContact O-N 2.98Å; F245-S248 WeakPolarHBondContact O-CB 3.45Å; F245-S248 PolarHBondContact O-N 2.93Å; S248-A251 PolarHBondContact O-N 2.95Å; S248-A252 WeakPolarHBondContact O-CB 3.46Å; S248-A252 PolarHBondContact O-N 2.81Å
249	C	96.9	Very high	96.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-43.7	175.5	-65.6	0	0	0	0	112.1	L226 F245 A246 F247 A252 E253 V254 M256	L226-C249 HydrophobicContact CD2-CB 4.31Å; F245-C249 PolarHBondContact O-N 2.88Å; F245-C249 PolarHBondContact O-SG 3.04Å; A246-C249 PolarHBondContact O-N 3.11Å; F247-C249 VanDerWaalsContact C-N 3.3Å; F247-C249 PolarHBondContact O-N 2.89Å; C249-A252 CarbonylContact O-C 3.57Å; C249-A252 PolarHBondContact O-N 3Å; C249-E253 PolarHBondContact O-N 2.83Å; C249-E253 VanDerWaalsContact O-N 3.13Å; C249-V254 HydrophobicContact CB-CB 4.31Å; C249-V254 PolarHBondContact O-N 2.87Å; C249-M256 HydrophobicContact CB-CE 3.62Å; C249-M256 HydrophobicContact CB-CG 4.42Å; C249-M256 WeakPolarHBondContact SG-CE 3.34Å
250	R	95.1	Very high	97	Very high	163 Å²	163	32.6 Å²	32.6	62%	0.615	16%	0.159	S	C	*	.	H	α-helix	trans	-59.8	-47.5	176.3	-178.8	-177.1	174.9	-129.3	-3.9	112	A246 F247 A252 E253	A246-R250 PolarHBondContact O-N 3.29Å; F247-R250 WeakPolarHBondContact O-CB 3.31Å; F247-R250 PolarHBondContact O-N 2.97Å; F247-R250 VanDerWaalsContact O-N 3.16Å; R250-A252 PolarHBondContact O-N 3.41Å; R250-E253 PolarHBondContact O-N 2.75Å; R250-E253 VanDerWaalsContact O-N 3.09Å
251	A	95.3	Very high	97	Very high	47 Å²	47	35.2 Å²	35.2	39%	0.388	17%	0.169	S	C	.	.	H	α-helix	trans	-64.7	-30.5	179.5	0	0	0	0	0	112.4	F247 S248 E253	F247-A251 HydrophobicContact CD1-CB 4.39Å; F247-A251 HydrophobicContact CE1-CB 4.22Å; F247-A251 WeakPolarHBondContact O-CB 3.46Å; F247-A251 PolarHBondContact O-N 3.45Å; S248-A251 PolarHBondContact O-N 2.95Å; A251-E253 VanDerWaalsContact C-N 3.32Å
252	A	96.1	Very high	97	Very high	17 Å²	17	39.3 Å²	39.3	14%	0.14	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.1	174.8	0	0	0	0	0	114.2	K225 L226 S248 C249 R250 V254	K225-A252 HydrophobicContact CB-CB 3.99Å; L226-A252 HydrophobicContact CD2-CB 3.66Å; S248-A252 WeakPolarHBondContact O-CB 3.46Å; S248-A252 PolarHBondContact O-N 2.81Å; C249-A252 CarbonylContact O-C 3.57Å; C249-A252 PolarHBondContact O-N 3Å; R250-A252 PolarHBondContact O-N 3.41Å; A252-V254 HydrophobicContact CB-CG2 4.01Å; A252-V254 PolarHBondContact O-N 3.18Å
253	E	96.1	Very high	96.9	Very high	187 Å²	187	41.8 Å²	41.8	87%	0.874	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.7	-175.4	-56.8	179.9	170.4	0	0	113.4	C249 R250 A251	C249-E253 PolarHBondContact O-N 2.83Å; C249-E253 VanDerWaalsContact O-N 3.13Å; R250-E253 PolarHBondContact O-N 2.75Å; R250-E253 VanDerWaalsContact O-N 3.09Å; A251-E253 VanDerWaalsContact C-N 3.32Å
254	V	97.4	Very high	96.9	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.097	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-98.8	117.8	178.4	178.1	0	0	0	0	110.3	V163 M223 L226 C249 A252	V163-V254 HydrophobicContact CG2-CG1 3.91Å; M223-V254 HydrophobicContact SD-CG1 4.02Å; M223-V254 HydrophobicContact SD-CG2 4.47Å; L226-V254 HydrophobicContact CD1-CG1 4.49Å; L226-V254 HydrophobicContact CD2-CB 4.37Å; L226-V254 HydrophobicContact CD2-CG2 4.15Å; C249-V254 HydrophobicContact CB-CB 4.31Å; C249-V254 PolarHBondContact O-N 2.87Å; A252-V254 HydrophobicContact CB-CG2 4.01Å; A252-V254 PolarHBondContact O-N 3.18Å
255	Q	97.4	Very high	96.9	Very high	83 Å²	83	41.4 Å²	41.4	39%	0.388	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-77.8	131.3	176.1	-176.7	60.4	65.3	0	0	111.7	P206 V207 Y257	P206-Q255 HydrophobicContact CB-CG 3.85Å; V207-Q255 PolarHBondContact O-NE2 2.96Å; Q255-Y257 HydrophobicContact CB-CE2 3.81Å; Q255-Y257 HydrophobicContact CG-CD2 4.27Å; Q255-Y257 HydrophobicContact CG-CE1 4.18Å; Q255-Y257 HydrophobicContact CG-CE2 3.58Å; Q255-Y257 WeakPolarHBondContact O-CD2 3.31Å; Q255-Y257 WeakPolarHBondContact O-CE2 3.45Å
256	M	98.4	Very high	96.8	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	148.9	169.1	-60.4	-176.7	174	0	0	111.6	V163 P206 V207 V210 F245 A246 C249	V163-M256 HydrophobicContact CB-CG 4.13Å; V163-M256 HydrophobicContact CG1-CB 4.37Å; V163-M256 HydrophobicContact CG1-CG 3.88Å; P206-M256 WeakPolarHBondContact CA-O 3.4Å; V207-M256 PolarHBondContact N-O 2.89Å; V210-M256 HydrophobicContact CG1-CB 4.5Å; V210-M256 HydrophobicContact CG2-CB 4.2Å; V210-M256 HydrophobicContact CG2-CG 4.41Å; V210-M256 HydrophobicContact CG2-SD 3.98Å; V210-M256 PolarHBondContact N-SD 3.22Å; V210-M256 VanDerWaalsContact N-SD 3.4Å; F245-M256 HydrophobicContact CD1-CE 3.72Å; F245-M256 HydrophobicContact CE1-CE 3.75Å; A246-M256 HydrophobicContact CB-CE 4.11Å; C249-M256 HydrophobicContact CB-CE 3.62Å; C249-M256 HydrophobicContact CB-CG 4.42Å; C249-M256 WeakPolarHBondContact SG-CE 3.34Å
257	Y	98.7	Very high	96.7	Very high	53 Å²	53	41.4 Å²	41.4	21%	0.208	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.2	179.8	-64.4	-94.6	0	0	0	111.5	K161 V163 I164 A165 Y205 P206 V210 Q255	K161-Y257 HydrophobicContact CB-CD2 3.81Å; K161-Y257 HydrophobicContact CB-CE2 4.33Å; K161-Y257 HydrophobicContact CB-CG 4.27Å; K161-Y257 HydrophobicContact CD-CD1 4.25Å; K161-Y257 HydrophobicContact CD-CD2 4Å; K161-Y257 HydrophobicContact CD-CE1 4.23Å; K161-Y257 HydrophobicContact CD-CE2 3.97Å; K161-Y257 HydrophobicContact CD-CG 4.14Å; K161-Y257 HydrophobicContact CG-CD1 4.46Å; K161-Y257 HydrophobicContact CG-CD2 3.92Å; K161-Y257 HydrophobicContact CG-CE2 4.38Å; K161-Y257 HydrophobicContact CG-CG 3.96Å; V163-Y257 PolarHBondContact O-N 2.65Å; I164-Y257 CarbonylContact C-O 3.5Å; I164-Y257 VanDerWaalsContact CA-O 3.29Å; I164-Y257 WeakPolarHBondContact CA-O 3.4Å; A165-Y257 PolarHBondContact N-O 3.37Å; Y205-Y257 VanDerWaalsContact O-CA 3.25Å; Y205-Y257 WeakPolarHBondContact O-CA 3.34Å; P206-Y257 HydrophobicContact CB-CD1 4.41Å; P206-Y257 HydrophobicContact CB-CE1 4.1Å; V210-Y257 WeakPolarHBondContact CG1-O 3.46Å; Q255-Y257 HydrophobicContact CB-CE2 3.81Å; Q255-Y257 HydrophobicContact CG-CD2 4.27Å; Q255-Y257 HydrophobicContact CG-CE1 4.18Å; Q255-Y257 HydrophobicContact CG-CE2 3.58Å; Q255-Y257 WeakPolarHBondContact O-CD2 3.31Å; Q255-Y257 WeakPolarHBondContact O-CE2 3.45Å
258	V	98.5	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.8	164.2	64.8	0	0	0	0	108.6	A165 M167 F177 T196 C204 Y205 V207 V210	A165-V258 WeakPolarHBondContact O-CA 2.86Å; M167-V258 HydrophobicContact CB-CG2 3.82Å; M167-V258 HydrophobicContact CG-CG2 4.19Å; F177-V258 HydrophobicContact CB-CB 4.02Å; F177-V258 HydrophobicContact CB-CG1 4.45Å; F177-V258 HydrophobicContact CB-CG2 3.99Å; F177-V258 HydrophobicContact CD1-CG2 3.83Å; F177-V258 HydrophobicContact CD2-CB 4.42Å; F177-V258 HydrophobicContact CD2-CG1 3.95Å; F177-V258 HydrophobicContact CD2-CG2 4.44Å; F177-V258 HydrophobicContact CE1-CG2 4.44Å; F177-V258 HydrophobicContact CE2-CG1 4.39Å; F177-V258 HydrophobicContact CG-CB 4.11Å; F177-V258 HydrophobicContact CG-CG1 4.15Å; F177-V258 HydrophobicContact CG-CG2 3.83Å; T196-V258 HydrophobicContact CG2-CG1 4.25Å; C204-V258 CarbonylContact C-O 3.51Å; C204-V258 WeakPolarHBondContact CA-O 3.32Å; Y205-V258 PolarHBondContact N-O 2.85Å; Y205-V258 PolarHBondContact O-N 2.92Å; V207-V258 HydrophobicContact CG1-CG1 3.64Å; V207-V258 HydrophobicContact CG2-CB 4.12Å; V207-V258 HydrophobicContact CG2-CG1 4.13Å; V210-V258 HydrophobicContact CG1-CB 4.17Å
259	C	98.6	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.5	176.1	-155.7	0	0	0	0	112.3	M156 I164 A165 M167 G203 C204 Y264	M156-C259 HydrophobicContact CE-CB 3.92Å; M156-C259 HydrophobicContact SD-CB 4.31Å; I164-C259 HydrophobicContact CD1-CB 4.1Å; I164-C259 HydrophobicContact CG1-CB 4.41Å; A165-C259 PolarHBondContact O-N 2.97Å; M167-C259 VanDerWaalsContact CB-O 3.28Å; M167-C259 WeakPolarHBondContact CB-O 3.28Å; M167-C259 PolarHBondContact N-O 3.43Å; G203-C259 WeakPolarHBondContact O-CA 3.45Å; G203-C259 PolarHBondContact O-SG 3.47Å; G203-C259 VanDerWaalsContact O-SG 3.32Å; C204-C259 HydrophobicContact CB-CB 3.69Å; C204-C259 WeakPolarHBondContact CB-SG 3.38Å; C204-C259 WeakPolarHBondContact SG-CB 3.09Å; C204-C259 CovalentContact SG-SG 2.06Å; C204-C259 PolarHBondContact SG-SG 2.97Å; C259-Y264 WeakPolarHBondContact O-CE2 3.39Å
260	N	97.8	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.			trans	-122.6	14.4	-176.7	74.8	-11.7	0	0	0	113.4	M167 T196 R199 R201 H202 G203 Y205 E262	M167-N260 HydrophobicContact CB-CB 3.97Å; M167-N260 HydrophobicContact CE-CB 3.6Å; M167-N260 HydrophobicContact CG-CB 4.46Å; M167-N260 HydrophobicContact SD-CB 3.66Å; T196-N260 PolarHBondContact O-ND2 3.23Å; R199-N260 HydrophobicContact CG-CB 4.23Å; R199-N260 PolarHBondContact NE-O 2.93Å; R201-N260 PolarHBondContact O-ND2 2.84Å; R201-N260 PolarHBondContact O-OD1 3.16Å; H202-N260 WeakPolarHBondContact CA-OD1 3.27Å; G203-N260 PolarHBondContact N-OD1 3.12Å; G203-N260 PolarHBondContact O-N 2.97Å; G203-N260 PolarHBondContact O-OD1 3.04Å; Y205-N260 WeakPolarHBondContact CE2-OD1 3.48Å; N260-E262 PolarHBondContact O-N 2.83Å
261	K	97.3	Very high	95.7	Very high	83 Å²	83	38.9 Å²	38.9	36%	0.361	20%	0.2	S	C	.	.	S	Bend	trans	-57.2	-31.8	-179.5	-68.3	179.6	-177.8	174.6	0	113.5	E159	E159-K261 WeakPolarHBondContact OE1-CE 3.18Å; E159-K261 IonicContact OE1-NZ 3.16Å; E159-K261 PolarHBondContact OE1-NZ 2.95Å; E159-K261 IonicContact OE2-NZ 3.61Å; E159-K261 PolarHBondContact OE2-NZ 3.35Å
262	E	95.3	Very high	95.5	Very high	96 Å²	96	42.5 Å²	42.5	45%	0.449	21%	0.207	S	C	.	.	S	Bend	trans	-126.7	168.1	179.4	-63	-60.9	154.4	0	0	110.7	L155 R199 N260 Y264	L155-E262 HydrophobicContact CD1-CB 4.49Å; L155-E262 HydrophobicContact CD1-CG 3.93Å; R199-E262 PolarHBondContact NH2-O 2.98Å; N260-E262 PolarHBondContact O-N 2.83Å; E262-Y264 HydrophobicContact CB-CD1 4.34Å; E262-Y264 HydrophobicContact CB-CD2 4.49Å; E262-Y264 HydrophobicContact CB-CE1 3.91Å; E262-Y264 HydrophobicContact CB-CE2 4.06Å; E262-Y264 HydrophobicContact CG-CE1 4.48Å; E262-Y264 VanDerWaalsContact O-CD2 3.27Å; E262-Y264 WeakPolarHBondContact O-CD2 3.39Å; E262-Y264 WeakPolarHBondContact O-CE2 3.42Å
263	R	94.2	Very high	95.3	Very high	80 Å²	80	44.7 Å²	44.7	30%	0.302	22%	0.22	S	C	.	.			trans	-84.1	107.2	161.7	-169.9	172.8	-67.9	-120.4	15.6	107.9	N149 D169 Y266 D294	N149-R263 VanDerWaalsContact CB-O 3.31Å; N149-R263 WeakPolarHBondContact CB-O 3.46Å; N149-R263 PolarHBondContact ND2-O 3.19Å; N149-R263 VanDerWaalsContact ND2-O 3.16Å; D169-R263 WeakPolarHBondContact OD2-CG 3.47Å; D169-R263 IonicContact OD2-CZ 2.97Å; D169-R263 IonicContact OD2-NE 3.01Å; D169-R263 IonicContact OD2-NH1 3.9Å; D169-R263 PolarHBondContact OD2-NH1 3.13Å; R263-Y266 PolarHBondContact NH1-OH 3.37Å; R263-D294 IonicContact CZ-OD2 2.71Å; R263-D294 IonicContact NH1-OD2 3.67Å; R263-D294 VanDerWaalsContact NH2-CB 3.32Å; R263-D294 IonicContact NH2-OD2 3.56Å; R263-D294 PolarHBondContact NH2-OD2 2.93Å
264	Y	96.4	Very high	95.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	21%	0.206	C	C	.	.			trans	-91.4	-28.7	-173.8	-65.6	-76.3	0	0	0	113.6	L147 T148 N149 T152 L155 M156 P166 C259 E262	L147-Y264 CarbonylContact C-O 3.5Å; T148-Y264 PolarHBondContact N-O 2.87Å; N149-Y264 WeakPolarHBondContact CB-O 3.44Å; N149-Y264 PolarHBondContact N-O 3.35Å; N149-Y264 VanDerWaalsContact N-O 3.1Å; T152-Y264 HydrophobicContact CG2-CD1 4.06Å; L155-Y264 HydrophobicContact CB-CE1 4.08Å; L155-Y264 HydrophobicContact CD1-CE1 3.79Å; M156-Y264 HydrophobicContact CE-CD1 4.31Å; M156-Y264 HydrophobicContact CE-CE1 3.45Å; M156-Y264 VanDerWaalsContact CE-CE1 3.45Å; M156-Y264 HydrophobicContact CE-CE2 4.16Å; M156-Y264 VanDerWaalsContact CE-OH 3.24Å; M156-Y264 WeakPolarHBondContact CE-OH 3.34Å; P166-Y264 HydrophobicContact CB-CD1 3.87Å; P166-Y264 HydrophobicContact CB-CD2 3.64Å; P166-Y264 HydrophobicContact CB-CE2 4.33Å; P166-Y264 HydrophobicContact CB-CG 3.37Å; C259-Y264 WeakPolarHBondContact O-CE2 3.39Å; E262-Y264 HydrophobicContact CB-CD1 4.34Å; E262-Y264 HydrophobicContact CB-CD2 4.49Å; E262-Y264 HydrophobicContact CB-CE1 3.91Å; E262-Y264 HydrophobicContact CB-CE2 4.06Å; E262-Y264 HydrophobicContact CG-CE1 4.48Å; E262-Y264 VanDerWaalsContact O-CD2 3.27Å; E262-Y264 WeakPolarHBondContact O-CD2 3.39Å; E262-Y264 WeakPolarHBondContact O-CE2 3.42Å
265	G	96	Very high	95	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.			trans	161.8	-169.1	-172.9	0	0	0	0	0	112.5	I146 T148 L168 D169	I146-G265 CarbonylContact O-C 3.59Å; I146-G265 WeakPolarHBondContact O-CA 3.42Å; T148-G265 WeakPolarHBondContact OG1-CA 3.42Å; L168-G265 WeakPolarHBondContact CA-O 3.33Å; D169-G265 PolarHBondContact N-O 2.89Å
266	Y	96.2	Very high	94.8	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.3	-175.9	-61.5	-99.2	0	0	0	110.8	N145 I146 T148 D169 R263 S291 M298	N145-Y266 CarbonylContact C-O 3.6Å; N145-Y266 WeakPolarHBondContact CA-O 3.39Å; I146-Y266 PolarHBondContact N-O 2.83Å; I146-Y266 PolarHBondContact O-N 3.13Å; T148-Y266 HydrophobicContact CG2-CD2 3.87Å; T148-Y266 HydrophobicContact CG2-CE2 4.12Å; D169-Y266 HydrophobicContact CB-CD1 3.85Å; D169-Y266 HydrophobicContact CB-CE1 3.99Å; D169-Y266 CarbonylContact O-C 3.55Å; D169-Y266 WeakPolarHBondContact O-CA 3.17Å; D169-Y266 WeakPolarHBondContact O-CB 3.5Å; R263-Y266 PolarHBondContact NH1-OH 3.37Å; Y266-S291 VanDerWaalsContact CZ-CB 3.43Å; Y266-S291 PolarHBondContact OH-O 3.45Å; Y266-M298 HydrophobicContact CD2-CE 3.6Å; Y266-M298 HydrophobicContact CG-CE 3.63Å
267	L	95.1	Very high	94.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.8	172.1	77.7	154.5	0	0	0	111.9	N145 L168 D169 S170 Y174 N176	N145-L267 WeakPolarHBondContact OD1-CB 3.37Å; L168-L267 HydrophobicContact CB-CB 4.09Å; L168-L267 HydrophobicContact CB-CD2 3.51Å; L168-L267 HydrophobicContact CB-CG 4.36Å; L168-L267 HydrophobicContact CD1-CB 4.08Å; L168-L267 VanDerWaalsContact O-CD2 3.23Å; L168-L267 WeakPolarHBondContact O-CD2 3.01Å; D169-L267 PolarHBondContact O-N 2.87Å; S170-L267 VanDerWaalsContact CB-O 3.27Å; S170-L267 WeakPolarHBondContact CB-O 3.35Å; Y174-L267 HydrophobicContact CD1-CD1 3.82Å; Y174-L267 HydrophobicContact CD1-CG 4.4Å; Y174-L267 HydrophobicContact CE1-CD1 3.45Å; Y174-L267 VanDerWaalsContact CE1-CD1 3.45Å; Y174-L267 HydrophobicContact CE1-CG 4.41Å; N176-L267 HydrophobicContact CB-CD1 4.08Å
268	N	93.6	Very high	94.4	Very high	5 Å²	5	45 Å²	45	3%	0.027	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-75.6	149.4	172.2	-164.2	19.8	0	0	0	111.5	D144 V287	D144-N268 HydrophobicContact CB-CB 3.94Å; D144-N268 PolarHBondContact O-N 3.05Å; N268-V287 HydrophobicContact CB-CG2 4.42Å
269	V	91.1	Very high	94.2	Very high	49 Å²	49	46.7 Å²	46.7	30%	0.297	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-84.9	128.2	175.3	-178.5	0	0	0	0	108.5	P171 Y174 G271	P171-V269 HydrophobicContact CB-CG2 4.42Å; Y174-V269 HydrophobicContact CD1-CG1 4.49Å; Y174-V269 HydrophobicContact CD1-CG2 4.28Å; Y174-V269 HydrophobicContact CG-CG1 4.36Å; V269-G271 PolarHBondContact O-N 3.4Å
270	P	89.9	Confident	94	Very high	71 Å²	71	46.9 Å²	46.9	46%	0.461	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-56.1	128.4	179.9	-26.9	33.1	0	0	0	112.7	Y174	Y174-P270 HydrophobicContact CE1-CG 3.94Å; Y174-P270 HydrophobicContact CE2-CG 4.16Å; Y174-P270 VanDerWaalsContact OH-CG 3.27Å; Y174-P270 WeakPolarHBondContact OH-CG 3.38Å
271	G	89.6	Confident	93.8	Very high	14 Å²	14	49.6 Å²	49.6	14%	0.144	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.7	162	174.8	0	0	0	0	0	113.5	V269	V269-G271 PolarHBondContact O-N 3.4Å
272	K	91.9	Very high	93.7	Very high	124 Å²	124	46.9 Å²	46.9	54%	0.539	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-71.2	159.3	173.4	-59.4	-178.7	-176.1	173.5	0	110.5	H274 F275	K272-H274 VanDerWaalsContact CD-CE1 3.49Å; K272-H274 WeakPolarHBondContact CD-CE1 3.14Å; K272-H274 PolarHBondContact O-N 3.03Å; K272-F275 HydrophobicContact CB-CD1 3.68Å; K272-F275 HydrophobicContact CB-CE1 3.64Å; K272-F275 HydrophobicContact CB-CG 4.26Å; K272-F275 HydrophobicContact CB-CZ 4.18Å; K272-F275 HydrophobicContact CD-CE1 3.79Å; K272-F275 HydrophobicContact CD-CZ 4.14Å; K272-F275 HydrophobicContact CG-CD1 4.27Å; K272-F275 HydrophobicContact CG-CE1 3.71Å; K272-F275 HydrophobicContact CG-CZ 3.87Å; K272-F275 WeakPolarHBondContact O-CB 3.44Å; K272-F275 PolarHBondContact O-N 3.19Å
273	P	92.3	Very high	93.6	Very high	62 Å²	62	43.7 Å²	43.7	40%	0.403	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.9	-178.1	-30.5	36.9	0	0	0	116	H110	H110-P273 HydrophobicContact CB-CB 4.19Å
274	H	92.5	Very high	93.6	Very high	127 Å²	127	40 Å²	40	59%	0.588	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1.3	179.9	58	-91.2	0	0	0	113.8	K272 T276	K272-H274 VanDerWaalsContact CD-CE1 3.49Å; K272-H274 WeakPolarHBondContact CD-CE1 3.14Å; K272-H274 PolarHBondContact O-N 3.03Å; H274-T276 PolarHBondContact O-N 3.06Å
275	F	93.7	Very high	93.6	Very high	44 Å²	44	40.3 Å²	40.3	19%	0.193	21%	0.211	C	C	.	.			trans	-66.4	136.1	178.7	-80	15	0	0	0	110.4	K109 K272 D279 N283	K109-F275 HydrophobicContact CB-CB 4.35Å; K109-F275 HydrophobicContact CG-CB 4.07Å; K272-F275 HydrophobicContact CB-CD1 3.68Å; K272-F275 HydrophobicContact CB-CE1 3.64Å; K272-F275 HydrophobicContact CB-CG 4.26Å; K272-F275 HydrophobicContact CB-CZ 4.18Å; K272-F275 HydrophobicContact CD-CE1 3.79Å; K272-F275 HydrophobicContact CD-CZ 4.14Å; K272-F275 HydrophobicContact CG-CD1 4.27Å; K272-F275 HydrophobicContact CG-CE1 3.71Å; K272-F275 HydrophobicContact CG-CZ 3.87Å; K272-F275 WeakPolarHBondContact O-CB 3.44Å; K272-F275 PolarHBondContact O-N 3.19Å; F275-D279 HydrophobicContact CB-CB 4.1Å; F275-D279 HydrophobicContact CD2-CB 4.18Å; F275-D279 HydrophobicContact CG-CB 4.13Å; F275-N283 WeakPolarHBondContact CE2-ND2 3.48Å
276	T	95	Very high	93.4	Very high	67 Å²	67	41.6 Å²	41.6	41%	0.411	22%	0.217	S	C	.	.			trans	-79.1	169.9	173.7	67.1	0	0	0	0	110.7	H274 E278 D279 D280	H274-T276 PolarHBondContact O-N 3.06Å; T276-E278 PolarHBondContact O-N 3.23Å; T276-E278 PolarHBondContact OG1-N 3.32Å; T276-D279 WeakPolarHBondContact CB-OD2 3.24Å; T276-D279 PolarHBondContact N-OD2 3Å; T276-D279 PolarHBondContact O-N 3.22Å; T276-D279 PolarHBondContact OG1-N 3.07Å; T276-D279 VanDerWaalsContact OG1-N 3.17Å; T276-D279 PolarHBondContact OG1-OD2 3.03Å; T276-D280 PolarHBondContact O-N 3.44Å; T276-D280 VanDerWaalsContact O-N 3.14Å
277	L	94.6	Very high	93.3	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-31.9	172	-64	-170.1	0	0	0	112.7	N38 S70 D71 P108 D280 R281	N38-L277 HydrophobicContact CB-CD1 4.46Å; N38-L277 HydrophobicContact CB-CD2 3.57Å; S70-L277 WeakPolarHBondContact OG-CD1 3.44Å; D71-L277 HydrophobicContact CB-CD1 3.95Å; P108-L277 HydrophobicContact CB-CD2 3.5Å; P108-L277 HydrophobicContact CB-CG 4.27Å; P108-L277 HydrophobicContact CG-CD2 3.55Å; P108-L277 HydrophobicContact CG-CG 3.97Å; L277-D280 WeakPolarHBondContact O-CB 3.17Å; L277-D280 PolarHBondContact O-N 3.2Å; L277-R281 PolarHBondContact O-N 3.07Å
278	E	94.1	Very high	93.3	Very high	71 Å²	71	41.4 Å²	41.4	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-71.2	-37.2	177.6	179.8	61	-169.4	0	0	111.5	T276 D280 R281 L282	T276-E278 PolarHBondContact O-N 3.23Å; T276-E278 PolarHBondContact OG1-N 3.32Å; E278-D280 VanDerWaalsContact C-N 3.28Å; E278-D280 PolarHBondContact O-N 3.1Å; E278-R281 VanDerWaalsContact CD-NE 3.29Å; E278-R281 PolarHBondContact O-N 3.13Å; E278-R281 IonicContact OE1-CZ 2.77Å; E278-R281 IonicContact OE1-NE 3.58Å; E278-R281 PolarHBondContact OE1-NE 2.89Å; E278-R281 VanDerWaalsContact OE1-NE 3.16Å; E278-R281 IonicContact OE1-NH2 3.13Å; E278-R281 PolarHBondContact OE1-NH2 2.85Å; E278-R281 WeakPolarHBondContact OE2-CD 3.1Å; E278-R281 IonicContact OE2-CZ 3.14Å; E278-R281 IonicContact OE2-NE 2.78Å; E278-R281 PolarHBondContact OE2-NE 2.88Å; E278-R281 IonicContact OE2-NH2 2.69Å; E278-L282 HydrophobicContact CG-CD1 4.35Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.46Å; E278-L282 PolarHBondContact O-N 3.47Å
279	D	94.3	Very high	93.3	Very high	35 Å²	35	41.6 Å²	41.6	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-38.1	173	-56.4	-45	0	0	0	111.1	F275 T276 L282 N283 R422	F275-D279 HydrophobicContact CB-CB 4.1Å; F275-D279 HydrophobicContact CD2-CB 4.18Å; F275-D279 HydrophobicContact CG-CB 4.13Å; T276-D279 WeakPolarHBondContact CB-OD2 3.24Å; T276-D279 PolarHBondContact N-OD2 3Å; T276-D279 PolarHBondContact O-N 3.22Å; T276-D279 PolarHBondContact OG1-N 3.07Å; T276-D279 VanDerWaalsContact OG1-N 3.17Å; T276-D279 PolarHBondContact OG1-OD2 3.03Å; D279-L282 PolarHBondContact O-N 3.1Å; D279-N283 PolarHBondContact O-N 3.11Å; D279-N283 PolarHBondContact O-ND2 3.16Å; D279-N283 VanDerWaalsContact O-ND2 3.08Å; D279-R422 IonicContact OD1-CZ 2.76Å; D279-R422 IonicContact OD1-NH1 3.16Å; D279-R422 PolarHBondContact OD1-NH1 2.98Å
280	D	93.8	Very high	93.2	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-43.7	175.6	-155.5	43.1	0	0	0	112	H41 K109 T276 L277 E278 L282 N283 F284	H41-D280 IonicContact CE1-OD2 3.99Å; H41-D280 PolarHBondContact CE1-OD2 2.87Å; H41-D280 IonicContact NE2-OD2 2.61Å; K109-D280 HydrophobicContact CD-CB 4.28Å; K109-D280 WeakPolarHBondContact CE-OD1 3.47Å; K109-D280 WeakPolarHBondContact CE-OD2 3.43Å; K109-D280 IonicContact NZ-OD1 3.96Å; K109-D280 PolarHBondContact NZ-OD1 3.41Å; K109-D280 IonicContact NZ-OD2 3.56Å; K109-D280 PolarHBondContact NZ-OD2 3.33Å; T276-D280 PolarHBondContact O-N 3.44Å; T276-D280 VanDerWaalsContact O-N 3.14Å; L277-D280 WeakPolarHBondContact O-CB 3.17Å; L277-D280 PolarHBondContact O-N 3.2Å; E278-D280 VanDerWaalsContact C-N 3.28Å; E278-D280 PolarHBondContact O-N 3.1Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 PolarHBondContact O-N 3.46Å; D280-N283 PolarHBondContact O-N 2.79Å; D280-F284 PolarHBondContact O-N 2.79Å
281	R	94.2	Very high	93.3	Very high	57 Å²	57	38.1 Å²	38.1	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-56.2	-47.6	173.1	-175.8	-170.9	78.9	92.1	-9.7	111.3	H41 L277 E278 F284 V285 E342	H41-R281 HydrophobicContact CB-CB 3.99Å; H41-R281 HydrophobicContact CB-CG 3.8Å; L277-R281 PolarHBondContact O-N 3.07Å; E278-R281 VanDerWaalsContact CD-NE 3.29Å; E278-R281 PolarHBondContact O-N 3.13Å; E278-R281 IonicContact OE1-CZ 2.77Å; E278-R281 IonicContact OE1-NE 3.58Å; E278-R281 PolarHBondContact OE1-NE 2.89Å; E278-R281 VanDerWaalsContact OE1-NE 3.16Å; E278-R281 IonicContact OE1-NH2 3.13Å; E278-R281 PolarHBondContact OE1-NH2 2.85Å; E278-R281 WeakPolarHBondContact OE2-CD 3.1Å; E278-R281 IonicContact OE2-CZ 3.14Å; E278-R281 IonicContact OE2-NE 2.78Å; E278-R281 PolarHBondContact OE2-NE 2.88Å; E278-R281 IonicContact OE2-NH2 2.69Å; R281-F284 PolarHBondContact O-N 2.71Å; R281-V285 WeakPolarHBondContact O-CG2 3.25Å; R281-V285 PolarHBondContact O-N 2.83Å; R281-E342 IonicContact CZ-OE2 2.66Å; R281-E342 IonicContact NH1-OE2 2.82Å; R281-E342 IonicContact NH2-OE2 2.78Å; R281-E342 PolarHBondContact NH2-OE2 2.72Å
282	L	93.7	Very high	93.4	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-36.5	-179.2	-69.6	170	0	0	0	112.7	E278 D279 D280 F284 V285 H286 R422	E278-L282 HydrophobicContact CG-CD1 4.35Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.46Å; E278-L282 PolarHBondContact O-N 3.47Å; D279-L282 PolarHBondContact O-N 3.1Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 PolarHBondContact O-N 3.46Å; L282-F284 VanDerWaalsContact C-N 3.33Å; L282-V285 PolarHBondContact O-N 3.01Å; L282-H286 PolarHBondContact O-N 2.97Å; L282-R422 HydrophobicContact CD1-CG 4.35Å; L282-R422 VanDerWaalsContact CD1-NH1 3.32Å
283	N	93.3	Very high	93.1	Very high	30 Å²	30	33.5 Å²	33.5	16%	0.16	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-42.3	171.9	-68.3	-30.2	0	0	0	111	F275 D279 D280 H286 V287	F275-N283 WeakPolarHBondContact CE2-ND2 3.48Å; D279-N283 PolarHBondContact O-N 3.11Å; D279-N283 PolarHBondContact O-ND2 3.16Å; D279-N283 VanDerWaalsContact O-ND2 3.08Å; D280-N283 PolarHBondContact O-N 2.79Å; N283-H286 WeakPolarHBondContact O-CB 3.3Å; N283-H286 PolarHBondContact O-N 3.31Å; N283-V287 WeakPolarHBondContact O-CG2 3.23Å; N283-V287 PolarHBondContact O-N 3.17Å; N283-V287 VanDerWaalsContact O-N 3.1Å
284	F	95.2	Very high	92.6	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-40	176.9	-174.5	-104.8	0	0	0	112.5	H41 Y45 I146 D280 R281 L282 H286 V287 Q288 M298	H41-F284 AromaticContact CD2-CG 3.8Å; Y45-F284 AromaticContact CD2-CE1 3.66Å; Y45-F284 HydrophobicContact CD2-CE1 3.66Å; Y45-F284 HydrophobicContact CD2-CZ 4.21Å; Y45-F284 HydrophobicContact CE2-CE1 4.15Å; Y45-F284 HydrophobicContact CG-CE1 4.15Å; Y45-F284 HydrophobicContact CG-CZ 4.31Å; I146-F284 HydrophobicContact CD1-CE2 4Å; I146-F284 HydrophobicContact CD1-CZ 3.88Å; I146-F284 HydrophobicContact CG1-CE2 3.87Å; I146-F284 HydrophobicContact CG1-CZ 3.9Å; D280-F284 PolarHBondContact O-N 2.79Å; R281-F284 PolarHBondContact O-N 2.71Å; L282-F284 VanDerWaalsContact C-N 3.33Å; F284-H286 VanDerWaalsContact C-N 3.29Å; F284-H286 PolarHBondContact O-N 3.43Å; F284-V287 WeakPolarHBondContact O-CB 3.17Å; F284-V287 PolarHBondContact O-N 2.99Å; F284-V287 VanDerWaalsContact O-N 3.17Å; F284-Q288 HydrophobicContact CD1-CG 4.3Å; F284-Q288 VanDerWaalsContact CD1-NE2 3.34Å; F284-Q288 HydrophobicContact CE1-CG 3.92Å; F284-Q288 HydrophobicContact CZ-CG 4.29Å; F284-Q288 PolarHBondContact O-N 3.41Å; F284-M298 HydrophobicContact CZ-SD 4.5Å
285	V	94.8	Very high	92	Very high	10 Å²	10	29 Å²	29	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-56.5	-46.2	171.6	168.2	0	0	0	0	110.1	R281 L282 V287 Q288 L289 E340 L341	R281-V285 WeakPolarHBondContact O-CG2 3.25Å; R281-V285 PolarHBondContact O-N 2.83Å; L282-V285 PolarHBondContact O-N 3.01Å; V285-V287 VanDerWaalsContact C-N 3.31Å; V285-V287 PolarHBondContact O-N 2.89Å; V285-Q288 WeakPolarHBondContact O-CA 3.48Å; V285-Q288 WeakPolarHBondContact O-CB 3.44Å; V285-Q288 PolarHBondContact O-N 3.42Å; V285-L289 HydrophobicContact CG1-CD1 4.33Å; V285-L289 HydrophobicContact CG1-CG 4.31Å; V285-L289 WeakPolarHBondContact O-CG 3.48Å; V285-L289 PolarHBondContact O-N 3.12Å; V285-E340 HydrophobicContact CG1-CB 4.21Å; V285-L341 HydrophobicContact CG1-CD2 4.17Å
286	H	93.6	Very high	91.4	Very high	26 Å²	26	30.5 Å²	30.5	12%	0.12	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-40.9	177.2	177.9	58.4	0	0	0	112.6	L282 N283 F284 Q288 L289 E290 F416 A418	L282-H286 PolarHBondContact O-N 2.97Å; N283-H286 WeakPolarHBondContact O-CB 3.3Å; N283-H286 PolarHBondContact O-N 3.31Å; F284-H286 VanDerWaalsContact C-N 3.29Å; F284-H286 PolarHBondContact O-N 3.43Å; H286-Q288 VanDerWaalsContact C-N 3.33Å; H286-Q288 PolarHBondContact O-N 3.28Å; H286-L289 PolarHBondContact O-N 2.62Å; H286-E290 IonicContact CE1-OE1 3.43Å; H286-E290 WeakPolarHBondContact O-CG 3.47Å; H286-E290 PolarHBondContact O-N 3.49Å; H286-F416 PolarHBondContact ND1-O 3.34Å; H286-A418 HydrophobicContact CB-CB 4.37Å
287	V	93.6	Very high	91	Very high	3 Å²	3	28 Å²	28	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-39.8	174.3	177	0	0	0	0	111.7	P171 N268 N283 F284 V285 E290 S291 M298	P171-V287 HydrophobicContact CG-CG2 3.97Å; N268-V287 HydrophobicContact CB-CG2 4.42Å; N283-V287 WeakPolarHBondContact O-CG2 3.23Å; N283-V287 PolarHBondContact O-N 3.17Å; N283-V287 VanDerWaalsContact O-N 3.1Å; F284-V287 WeakPolarHBondContact O-CB 3.17Å; F284-V287 PolarHBondContact O-N 2.99Å; F284-V287 VanDerWaalsContact O-N 3.17Å; V285-V287 VanDerWaalsContact C-N 3.31Å; V285-V287 PolarHBondContact O-N 2.89Å; V287-E290 PolarHBondContact O-N 3.27Å; V287-S291 PolarHBondContact O-N 3.46Å; V287-M298 HydrophobicContact CG1-CE 4.22Å
288	Q	94	Very high	90.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-45.6	173.7	-68.5	-174.7	56	0	0	111.2	Y45 F284 V285 H286 S291 L292 M298 E340	Y45-Q288 VanDerWaalsContact CE1-OE1 3.24Å; Y45-Q288 VanDerWaalsContact CZ-OE1 3.29Å; Y45-Q288 PolarHBondContact OH-OE1 3.17Å; F284-Q288 HydrophobicContact CD1-CG 4.3Å; F284-Q288 VanDerWaalsContact CD1-NE2 3.34Å; F284-Q288 HydrophobicContact CE1-CG 3.92Å; F284-Q288 HydrophobicContact CZ-CG 4.29Å; F284-Q288 PolarHBondContact O-N 3.41Å; V285-Q288 WeakPolarHBondContact O-CA 3.48Å; V285-Q288 WeakPolarHBondContact O-CB 3.44Å; V285-Q288 PolarHBondContact O-N 3.42Å; H286-Q288 VanDerWaalsContact C-N 3.33Å; H286-Q288 PolarHBondContact O-N 3.28Å; Q288-S291 WeakPolarHBondContact O-CB 2.84Å; Q288-S291 PolarHBondContact O-N 3.34Å; Q288-S291 PolarHBondContact O-OG 2.59Å; Q288-L292 WeakPolarHBondContact O-CG 3.41Å; Q288-L292 PolarHBondContact O-N 3.09Å; Q288-M298 HydrophobicContact CG-SD 3.82Å; Q288-E340 PolarHBondContact OE1-OE2 3.5Å; Q288-E340 VanDerWaalsContact OE1-OE2 3.09Å
289	L	93.9	Very high	90.7	Very high	8 Å²	8	29 Å²	29	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-44.1	179.6	-60.3	-173.6	0	0	0	112.2	V285 H286 S291 L292 S337 E340 L341 F416	V285-L289 HydrophobicContact CG1-CD1 4.33Å; V285-L289 HydrophobicContact CG1-CG 4.31Å; V285-L289 WeakPolarHBondContact O-CG 3.48Å; V285-L289 PolarHBondContact O-N 3.12Å; H286-L289 PolarHBondContact O-N 2.62Å; L289-S291 PolarHBondContact O-N 3.12Å; L289-L292 HydrophobicContact CD2-CD1 4.29Å; L289-L292 WeakPolarHBondContact O-CB 3.23Å; L289-L292 PolarHBondContact O-N 2.78Å; L289-L292 VanDerWaalsContact O-N 3.17Å; L289-S337 VanDerWaalsContact CD2-CA 3.48Å; L289-E340 HydrophobicContact CD2-CB 3.99Å; L289-E340 HydrophobicContact CD2-CG 4.46Å; L289-L341 HydrophobicContact CD1-CD1 3.9Å; L289-L341 HydrophobicContact CD1-CD2 3.77Å; L289-L341 HydrophobicContact CD1-CG 3.77Å; L289-F416 HydrophobicContact CD1-CB 4Å; L289-F416 HydrophobicContact CD1-CD2 4.26Å
290	E	89.8	Confident	90.8	Very high	47 Å²	47	29.5 Å²	29.5	22%	0.22	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-32.1	176.1	-72.2	-64.5	116.8	0	0	112	P171 H286 V287 L292 I293	P171-E290 HydrophobicContact CG-CG 4.48Å; H286-E290 IonicContact CE1-OE1 3.43Å; H286-E290 WeakPolarHBondContact O-CG 3.47Å; H286-E290 PolarHBondContact O-N 3.49Å; V287-E290 PolarHBondContact O-N 3.27Å; E290-L292 VanDerWaalsContact C-N 3.25Å; E290-L292 PolarHBondContact O-N 2.74Å; E290-I293 PolarHBondContact O-N 3.02Å
291	S	91.8	Very high	90.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-27.1	177.8	78.3	0	0	0	0	114	Y266 V287 Q288 L289 I293 G295	Y266-S291 VanDerWaalsContact CZ-CB 3.43Å; Y266-S291 PolarHBondContact OH-O 3.45Å; V287-S291 PolarHBondContact O-N 3.46Å; Q288-S291 WeakPolarHBondContact O-CB 2.84Å; Q288-S291 PolarHBondContact O-N 3.34Å; Q288-S291 PolarHBondContact O-OG 2.59Å; L289-S291 PolarHBondContact O-N 3.12Å; S291-I293 PolarHBondContact O-N 2.97Å; S291-G295 CarbonylContact O-C 3.51Å; S291-G295 VanDerWaalsContact O-C 3.23Å; S291-G295 WeakPolarHBondContact O-CA 3.34Å; S291-G295 PolarHBondContact O-N 3.48Å; S291-G295 VanDerWaalsContact O-O 3.08Å
292	L	91.1	Very high	91	Very high	19 Å²	19	36.3 Å²	36.3	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-76.5	-9.1	-178.5	-64.2	165.6	0	0	0	113.7	Q288 L289 E290 A297 R333 Y336	Q288-L292 WeakPolarHBondContact O-CG 3.41Å; Q288-L292 PolarHBondContact O-N 3.09Å; L289-L292 HydrophobicContact CD2-CD1 4.29Å; L289-L292 WeakPolarHBondContact O-CB 3.23Å; L289-L292 PolarHBondContact O-N 2.78Å; L289-L292 VanDerWaalsContact O-N 3.17Å; E290-L292 VanDerWaalsContact C-N 3.25Å; E290-L292 PolarHBondContact O-N 2.74Å; L292-A297 HydrophobicContact CD2-CB 3.47Å; L292-A297 VanDerWaalsContact CD2-CB 3.47Å; L292-R333 HydrophobicContact CB-CG 4.03Å; L292-R333 WeakPolarHBondContact O-CD 3.44Å; L292-Y336 HydrophobicContact CD1-CD1 3.37Å; L292-Y336 HydrophobicContact CD1-CE1 3.88Å; L292-Y336 HydrophobicContact CD1-CG 4.27Å; L292-Y336 HydrophobicContact CD2-CD1 4.08Å; L292-Y336 HydrophobicContact CD2-CE1 4.28Å; L292-Y336 HydrophobicContact CG-CD1 4.33Å
293	I	86.8	Confident	91.2	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.118	19%	0.189	C	C	.	.	H	α-helix	trans	-75.2	-61.3	-179.8	-57	169.5	0	0	0	109.2	E290 S291 R415 C534	E290-I293 PolarHBondContact O-N 3.02Å; S291-I293 PolarHBondContact O-N 2.97Å; I293-R415 HydrophobicContact CD1-CB 4.02Å; I293-R415 HydrophobicContact CD1-CG 4.34Å; I293-C534 HydrophobicContact CG2-CB 4.18Å
294	D	80.4	Confident	91.3	Very high	75 Å²	75	37.8 Å²	37.8	40%	0.401	19%	0.185	S	C	.	.	H	α-helix	trans	-106.8	1.6	-176	-49.9	-29.3	0	0	0	113.3	R263 H535	R263-D294 IonicContact CZ-OD2 2.71Å; R263-D294 IonicContact NH1-OD2 3.67Å; R263-D294 VanDerWaalsContact NH2-CB 3.32Å; R263-D294 IonicContact NH2-OD2 3.56Å; R263-D294 PolarHBondContact NH2-OD2 2.93Å; D294-H535 IonicContact OD1-CE1 3.99Å
295	G	80.9	Confident	91.2	Very high	19 Å²	19	43 Å²	43	20%	0.196	21%	0.21	C	C	.	.	S	Bend	trans	-140.2	166.5	-164.3	0	0	0	0	0	114.4	S291	S291-G295 CarbonylContact O-C 3.51Å; S291-G295 VanDerWaalsContact O-C 3.23Å; S291-G295 WeakPolarHBondContact O-CA 3.34Å; S291-G295 PolarHBondContact O-N 3.48Å; S291-G295 VanDerWaalsContact O-O 3.08Å
296	P	81.3	Confident	91	Very high	75 Å²	75	45.9 Å²	45.9	49%	0.487	22%	0.223	S	C	.	.			trans	-69.3	148.3	176.2	30.6	-35	0	0	0	110.5
297	A	85.2	Confident	90.7	Very high	16 Å²	16	52 Å²	52	13%	0.132	25%	0.25	C	C	.	.			trans	-56.4	143.1	172.9	0	0	0	0	0	112	L292 Y299 Y336	L292-A297 HydrophobicContact CD2-CB 3.47Å; L292-A297 VanDerWaalsContact CD2-CB 3.47Å; A297-Y299 HydrophobicContact CB-CE1 4.17Å; A297-Y299 HydrophobicContact CB-CE2 4.09Å; A297-Y299 WeakPolarHBondContact O-CD2 3.47Å; A297-Y299 VanDerWaalsContact O-CE2 3.31Å; A297-Y299 WeakPolarHBondContact O-CE2 3.4Å; A297-Y299 PolarHBondContact O-N 2.74Å; A297-Y336 HydrophobicContact CB-CE2 4.29Å
298	M	91.8	Very high	90.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.28	C	S	.	.			trans	-78.6	108.4	172	-61.8	-175.7	-175	0	0	109.1	Y45 I146 T148 Y266 F284 V287 Q288 Y336	Y45-M298 HydrophobicContact CD1-CB 3.84Å; Y45-M298 WeakPolarHBondContact CD1-O 3.49Å; Y45-M298 VanDerWaalsContact CE1-O 3.25Å; Y45-M298 WeakPolarHBondContact CE1-O 3.36Å; I146-M298 HydrophobicContact CB-CE 4.05Å; I146-M298 HydrophobicContact CB-SD 3.83Å; I146-M298 HydrophobicContact CG1-CE 4.23Å; I146-M298 HydrophobicContact CG1-SD 3.66Å; I146-M298 HydrophobicContact CG2-CB 4.37Å; I146-M298 HydrophobicContact CG2-CE 4.44Å; I146-M298 HydrophobicContact CG2-CG 3.96Å; I146-M298 HydrophobicContact CG2-SD 3.85Å; T148-M298 HydrophobicContact CG2-CE 4.49Å; T148-M298 HydrophobicContact CG2-CG 4.05Å; Y266-M298 HydrophobicContact CD2-CE 3.6Å; Y266-M298 HydrophobicContact CG-CE 3.63Å; F284-M298 HydrophobicContact CZ-SD 4.5Å; V287-M298 HydrophobicContact CG1-CE 4.22Å; Q288-M298 HydrophobicContact CG-SD 3.82Å; M298-Y336 PolarHBondContact O-OH 2.06Å
299	Y	91.5	Very high	90.4	Very high	130 Å²	130	58.7 Å²	58.7	51%	0.51	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-90.9	132.1	177.8	-59.2	-78.9	0	0	0	111.5	R52 A297	R52-Y299 VanDerWaalsContact CZ-O 3.31Å; R52-Y299 PolarHBondContact NH1-O 2.78Å; R52-Y299 PolarHBondContact NH2-O 2.7Å; A297-Y299 HydrophobicContact CB-CE1 4.17Å; A297-Y299 HydrophobicContact CB-CE2 4.09Å; A297-Y299 WeakPolarHBondContact O-CD2 3.47Å; A297-Y299 VanDerWaalsContact O-CE2 3.31Å; A297-Y299 WeakPolarHBondContact O-CE2 3.4Å; A297-Y299 PolarHBondContact O-N 2.74Å
300	P	95.8	Very high	90.4	Very high	47 Å²	47	65.4 Å²	65.4	31%	0.305	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-65.2	163.3	173.3	29.6	-34.7	0	0	0	111.5	P44 Y45 M306	P44-P300 HydrophobicContact CB-CB 4.08Å; P44-P300 CarbonylContact O-C 3.53Å; P44-P300 WeakPolarHBondContact O-CA 3.36Å; Y45-P300 HydrophobicContact CD1-CB 4.36Å; Y45-P300 HydrophobicContact CE1-CB 4.4Å; Y45-P300 HydrophobicContact CE1-CG 4.49Å; P300-M306 HydrophobicContact CB-CG 4.33Å
301	S	97.4	Very high	90.7	Very high	6 Å²	6	69.5 Å²	69.5	4%	0.042	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-56.6	139.2	170.1	170.2	0	0	0	0	110.8	P44 E51 W80 Y303	P44-S301 PolarHBondContact O-N 3.18Å; E51-S301 WeakPolarHBondContact OE1-CB 3.21Å; E51-S301 PolarHBondContact OE1-OG 3.23Å; W80-S301 VanDerWaalsContact CD1-OG 3.31Å; S301-Y303 PolarHBondContact O-N 2.97Å; S301-Y303 PolarHBondContact OG-N 2.94Å
302	R	95.9	Very high	90.9	Very high	198 Å²	198	73 Å²	73	75%	0.747	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-8	172.2	71.2	-179	70.9	-171.2	-1.8	113.4
303	Y	96.3	Very high	91.3	Very high	72 Å²	72	74.3 Å²	74.3	28%	0.282	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	12.4	-174.9	-55	-62.6	0	0	0	112.6	E51 V83 M84 S301	E51-Y303 HydrophobicContact CG-CD2 4.43Å; E51-Y303 WeakPolarHBondContact OE1-CD2 3.35Å; V83-Y303 HydrophobicContact CB-CD1 4.37Å; V83-Y303 HydrophobicContact CB-CG 4.34Å; V83-Y303 HydrophobicContact CG1-CD1 3.62Å; V83-Y303 HydrophobicContact CG1-CE1 3.9Å; V83-Y303 HydrophobicContact CG1-CG 3.94Å; M84-Y303 HydrophobicContact CG-CD2 4.24Å; M84-Y303 HydrophobicContact SD-CD2 3.62Å; M84-Y303 HydrophobicContact SD-CE2 3.51Å; M84-Y303 VanDerWaalsContact SD-CE2 3.51Å; S301-Y303 PolarHBondContact O-N 2.97Å; S301-Y303 PolarHBondContact OG-N 2.94Å
304	V	96.3	Very high	91.7	Very high	13 Å²	13	73.5 Å²	73.5	8%	0.079	36%	0.355	C	S	.	.	S	Bend	trans	-122.5	134.2	174.5	171.4	0	0	0	0	108.2	P44 L47 I76 W80 M306	P44-V304 HydrophobicContact CB-CG1 4.35Å; P44-V304 HydrophobicContact CG-CG1 4.27Å; L47-V304 HydrophobicContact CD1-CG2 4.07Å; I76-V304 HydrophobicContact CB-CG1 4.44Å; I76-V304 HydrophobicContact CG1-CG1 4.33Å; I76-V304 HydrophobicContact CG2-CG1 3.67Å; I76-V304 HydrophobicContact CG2-CG2 4.1Å; W80-V304 HydrophobicContact CB-CG2 3.81Å; W80-V304 HydrophobicContact CG-CG2 4.38Å; V304-M306 PolarHBondContact O-N 3.05Å
305	H	93.5	Very high	92.4	Very high	112 Å²	112	72.6 Å²	72.6	52%	0.519	36%	0.364	S	S	.	.			trans	-73.5	126.4	173.3	-174.8	68.3	0	0	0	111.2	E79 F307	E79-H305 PolarHBondContact OE1-N 3.33Å; E79-H305 VanDerWaalsContact OE1-N 3.16Å; E79-H305 PolarHBondContact OE2-N 3.31Å; H305-F307 AromaticContact NE2-CD1 3.94Å; H305-F307 AromaticContact NE2-CE1 3.98Å
306	M	91	Very high	93.2	Very high	70 Å²	70	72.2 Å²	72.2	35%	0.345	36%	0.357	S	S	.	.			trans	-110	128.1	171.8	-70.7	-66.5	-68.7	0	0	109.4	P44 Y45 P300 V304	P44-M306 HydrophobicContact CB-CE 4.46Å; P44-M306 HydrophobicContact CB-CG 4.41Å; P44-M306 HydrophobicContact CB-SD 3.49Å; P44-M306 WeakPolarHBondContact CB-SD 3.5Å; P44-M306 HydrophobicContact CG-CE 4.38Å; P44-M306 HydrophobicContact CG-SD 3.39Å; P44-M306 WeakPolarHBondContact CG-SD 3.45Å; Y45-M306 HydrophobicContact CE2-CE 4.37Å; P300-M306 HydrophobicContact CB-CG 4.33Å; V304-M306 PolarHBondContact O-N 3.05Å
307	F	87.1	Confident	94	Very high	154 Å²	154	72.2 Å²	72.2	68%	0.675	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-67.1	138.6	172.2	-68.3	-75.9	0	0	0	110.2	H305 K309	H305-F307 AromaticContact NE2-CD1 3.94Å; H305-F307 AromaticContact NE2-CE1 3.98Å; F307-K309 PolarHBondContact O-N 2.97Å
308	P	89.5	Confident	94.7	Very high	102 Å²	102	73.3 Å²	73.3	66%	0.662	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-57.2	134.3	170.7	-23.7	33.7	0	0	0	110.9
309	K	91.4	Very high	95	Very high	46 Å²	46	73.2 Å²	73.2	20%	0.2	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69.8	139.1	176.1	-72.6	179.8	-173.7	160.3	0	110.7	Y45 F307 N339 E340 E342	Y45-K309 PolarHBondContact OH-NZ 3.5Å; F307-K309 PolarHBondContact O-N 2.97Å; K309-N339 WeakPolarHBondContact CD-O 3.5Å; K309-E340 IonicContact NZ-OE1 2.79Å; K309-E340 PolarHBondContact NZ-OE1 3.5Å; K309-E340 IonicContact NZ-OE2 2.79Å; K309-E340 PolarHBondContact NZ-OE2 3.35Å; K309-E342 HydrophobicContact CB-CG 4.12Å; K309-E342 HydrophobicContact CD-CG 4.28Å; K309-E342 HydrophobicContact CG-CG 4.31Å
310	Q	93.2	Very high	95.4	Very high	148 Å²	148	67 Å²	67	69%	0.692	33%	0.33	S	S	*	.			trans	-94.1	101.6	-179.7	-64	-62.2	-34.8	0	0	108.6	E342	Q310-E342 WeakPolarHBondContact O-CB 3.23Å
311	R	96.3	Very high	95.5	Very high	134 Å²	134	64.8 Å²	64.8	51%	0.506	32%	0.316	S	S	.	.			trans	-85.7	142.1	-179.2	-70.3	176.1	-83.3	156.1	-7	110.4	D344	R311-D344 HydrophobicContact CB-CB 3.86Å; R311-D344 IonicContact NH1-OD1 3.89Å; R311-D344 PolarHBondContact NH1-OD1 2.94Å
312	D	97.3	Very high	95.5	Very high	72 Å²	72	65.1 Å²	65.1	39%	0.385	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-139.6	169.3	174.4	62.7	47.8	0	0	0	110.9	V314 E342 D344 K421	D312-V314 VanDerWaalsContact C-N 3.27Å; D312-V314 PolarHBondContact O-N 3.39Å; D312-V314 WeakPolarHBondContact OD1-CA 3.43Å; D312-V314 WeakPolarHBondContact OD1-CG2 3.43Å; D312-V314 PolarHBondContact OD1-N 2.99Å; D312-E342 PolarHBondContact N-O 3.27Å; D312-D344 PolarHBondContact O-N 2.86Å; D312-K421 VanDerWaalsContact OD1-CE 3.23Å; D312-K421 WeakPolarHBondContact OD1-CE 3.47Å; D312-K421 IonicContact OD1-NZ 2.97Å; D312-K421 PolarHBondContact OD1-NZ 3.1Å; D312-K421 WeakPolarHBondContact OD2-CE 3.27Å; D312-K421 IonicContact OD2-NZ 2.88Å; D312-K421 PolarHBondContact OD2-NZ 2.79Å
313	L	97.9	Very high	95.6	Very high	48 Å²	48	55.8 Å²	55.8	25%	0.251	28%	0.282	S	S	.	.			trans	-88.9	15.5	179.4	-63.4	169.3	0	0	0	112.9	G315 F316 D317 I319 D344	L313-G315 PolarHBondContact O-N 3.46Å; L313-F316 VanDerWaalsContact CB-O 3.23Å; L313-F316 WeakPolarHBondContact CB-O 3.46Å; L313-F316 WeakPolarHBondContact O-CB 3.05Å; L313-F316 WeakPolarHBondContact O-CD2 3.48Å; L313-F316 PolarHBondContact O-N 3.48Å; L313-D317 WeakPolarHBondContact CD1-O 3.46Å; L313-I319 HydrophobicContact CB-CG1 4.46Å; L313-I319 HydrophobicContact CD2-CB 4.24Å; L313-I319 HydrophobicContact CD2-CD1 4.47Å; L313-I319 HydrophobicContact CD2-CG1 4.01Å; L313-I319 WeakPolarHBondContact O-CD1 3.27Å; L313-D344 HydrophobicContact CD2-CB 4.07Å
314	V	95.5	Very high	95.6	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.03	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	31.6	172	-155.4	0	0	0	0	113.9	D312 F316 I319 V343 K421 V424 L425	D312-V314 VanDerWaalsContact C-N 3.27Å; D312-V314 PolarHBondContact O-N 3.39Å; D312-V314 WeakPolarHBondContact OD1-CA 3.43Å; D312-V314 WeakPolarHBondContact OD1-CG2 3.43Å; D312-V314 PolarHBondContact OD1-N 2.99Å; V314-F316 HydrophobicContact CB-CD2 4.37Å; V314-I319 HydrophobicContact CB-CD1 4.38Å; V314-I319 HydrophobicContact CG2-CD1 3.98Å; V314-V343 HydrophobicContact CG2-CB 4.39Å; V314-V343 HydrophobicContact CG2-CG1 4.03Å; V314-V343 HydrophobicContact CG2-CG2 3.78Å; V314-K421 HydrophobicContact CG1-CG 3.87Å; V314-K421 HydrophobicContact CG2-CD 4.4Å; V314-K421 HydrophobicContact CG2-CG 4.25Å; V314-V424 HydrophobicContact CG1-CB 4.45Å; V314-V424 HydrophobicContact CG1-CG1 4.19Å; V314-L425 HydrophobicContact CB-CD2 4.41Å; V314-L425 HydrophobicContact CG1-CD1 4.23Å; V314-L425 HydrophobicContact CG1-CD2 3.53Å; V314-L425 HydrophobicContact CG1-CG 3.49Å; V314-L425 VanDerWaalsContact CG1-CG 3.49Å; V314-L425 WeakPolarHBondContact O-CD2 3.11Å
315	G	95.4	Very high	95.4	Very high	57 Å²	57	61.8 Å²	61.8	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	8.3	-178.3	0	0	0	0	0	115.6	L313 K406	L313-G315 PolarHBondContact O-N 3.46Å; G315-K406 WeakPolarHBondContact O-CE 3.41Å
316	F	98.4	Very high	95.4	Very high	11 Å²	11	62 Å²	62	5%	0.048	30%	0.3	C	S	.	.	S	Bend	trans	-95.4	159.6	169	-61.9	-89.7	0	0	0	110.9	L313 V314 I319 K406 L408 V424 M428 A475	L313-F316 VanDerWaalsContact CB-O 3.23Å; L313-F316 WeakPolarHBondContact CB-O 3.46Å; L313-F316 WeakPolarHBondContact O-CB 3.05Å; L313-F316 WeakPolarHBondContact O-CD2 3.48Å; L313-F316 PolarHBondContact O-N 3.48Å; V314-F316 HydrophobicContact CB-CD2 4.37Å; F316-I319 HydrophobicContact CB-CG1 4.21Å; F316-I319 HydrophobicContact CD2-CD1 4.42Å; F316-K406 HydrophobicContact CD1-CB 4.21Å; F316-K406 HydrophobicContact CD1-CD 4.36Å; F316-K406 HydrophobicContact CD1-CG 3.84Å; F316-K406 HydrophobicContact CE1-CG 4.42Å; F316-L408 HydrophobicContact CD1-CB 3.98Å; F316-L408 HydrophobicContact CD2-CB 4.1Å; F316-L408 HydrophobicContact CD2-CD2 4.37Å; F316-L408 HydrophobicContact CE1-CB 4.06Å; F316-L408 HydrophobicContact CE2-CB 4.17Å; F316-L408 HydrophobicContact CE2-CD2 4.01Å; F316-L408 HydrophobicContact CG-CB 4.02Å; F316-L408 HydrophobicContact CZ-CB 4.15Å; F316-L408 HydrophobicContact CZ-CD2 4.39Å; F316-V424 HydrophobicContact CE2-CG1 3.65Å; F316-V424 HydrophobicContact CZ-CG1 4.05Å; F316-M428 HydrophobicContact CE1-CE 4.37Å; F316-M428 HydrophobicContact CE1-SD 4.48Å; F316-M428 HydrophobicContact CE2-CG 4.33Å; F316-M428 HydrophobicContact CZ-CE 4.46Å; F316-M428 HydrophobicContact CZ-CG 3.85Å; F316-M428 HydrophobicContact CZ-SD 4.05Å; F316-A475 HydrophobicContact CE1-CB 3.76Å; F316-A475 HydrophobicContact CZ-CB 4.2Å
317	D	98.5	Very high	95.5	Very high	74 Å²	74	60.6 Å²	60.6	40%	0.396	29%	0.291	S	S	.	.	S	Bend	trans	-75.8	-31.7	174.9	-61.7	-72.6	0	0	0	112.2	L313 M404 D405 K406	L313-D317 WeakPolarHBondContact CD1-O 3.46Å; D317-M404 HydrophobicContact CB-CB 3.97Å; D317-M404 HydrophobicContact CB-CG 4.06Å; D317-D405 WeakPolarHBondContact OD2-CA 3.07Å; D317-D405 WeakPolarHBondContact OD2-CB 3.49Å; D317-D405 PolarHBondContact OD2-N 2.99Å; D317-K406 PolarHBondContact N-O 2.94Å; D317-K406 PolarHBondContact OD2-N 2.91Å
318	E	98.6	Very high	95.9	Very high	39 Å²	39	56.8 Å²	56.8	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	146.5	174.5	-170.2	60.4	-82.1	0	0	110.1	Y320 K346 M404 A407 L408	E318-Y320 HydrophobicContact CB-CD2 4.48Å; E318-Y320 HydrophobicContact CB-CE2 3.76Å; E318-Y320 HydrophobicContact CG-CD1 4.19Å; E318-Y320 HydrophobicContact CG-CD2 4.13Å; E318-Y320 HydrophobicContact CG-CE1 3.72Å; E318-Y320 HydrophobicContact CG-CE2 3.6Å; E318-Y320 HydrophobicContact CG-CG 4.42Å; E318-K346 HydrophobicContact CG-CB 4.13Å; E318-K346 HydrophobicContact CG-CD 4.27Å; E318-M404 HydrophobicContact CB-CE 3.94Å; E318-M404 HydrophobicContact CB-SD 3.91Å; E318-M404 HydrophobicContact CG-CE 4.43Å; E318-A407 WeakPolarHBondContact O-CA 3.48Å; E318-L408 PolarHBondContact O-N 3.06Å; E318-L408 VanDerWaalsContact O-N 3.16Å
319	I	98.8	Very high	95.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.6	173	-58.3	-174.8	0	0	0	107.5	L313 V314 F316 V343 D344 V345 K346 L408 F410	L313-I319 HydrophobicContact CB-CG1 4.46Å; L313-I319 HydrophobicContact CD2-CB 4.24Å; L313-I319 HydrophobicContact CD2-CD1 4.47Å; L313-I319 HydrophobicContact CD2-CG1 4.01Å; L313-I319 WeakPolarHBondContact O-CD1 3.27Å; V314-I319 HydrophobicContact CB-CD1 4.38Å; V314-I319 HydrophobicContact CG2-CD1 3.98Å; F316-I319 HydrophobicContact CB-CG1 4.21Å; F316-I319 HydrophobicContact CD2-CD1 4.42Å; I319-V343 HydrophobicContact CD1-CG1 3.57Å; I319-V343 HydrophobicContact CG2-CG1 4.46Å; I319-D344 WeakPolarHBondContact CB-O 3.44Å; I319-V345 HydrophobicContact CG2-CG2 4.1Å; I319-V345 CarbonylContact O-C 3.51Å; I319-V345 WeakPolarHBondContact O-CA 3.44Å; I319-V345 VanDerWaalsContact O-CG2 3.26Å; I319-V345 WeakPolarHBondContact O-CG2 3.26Å; I319-K346 PolarHBondContact O-N 3.3Å; I319-L408 CarbonylContact C-O 3.51Å; I319-L408 WeakPolarHBondContact CA-O 3.28Å; I319-L408 HydrophobicContact CD1-CD2 4.33Å; I319-L408 HydrophobicContact CG1-CB 4.17Å; I319-L408 HydrophobicContact CG2-CB 4.3Å; I319-L408 HydrophobicContact CG2-CD2 4.41Å; I319-L408 HydrophobicContact CG2-CG 4.37Å; I319-F410 HydrophobicContact CG2-CD2 3.82Å; I319-F410 HydrophobicContact CG2-CE2 3.47Å; I319-F410 VanDerWaalsContact CG2-CE2 3.47Å
320	Y	98.8	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.7	-176.4	-61.5	-85.6	0	0	0	111.8	E318 K346 V348 I395 E398 V399 M404 A407 L408 I409 F410	E318-Y320 HydrophobicContact CB-CD2 4.48Å; E318-Y320 HydrophobicContact CB-CE2 3.76Å; E318-Y320 HydrophobicContact CG-CD1 4.19Å; E318-Y320 HydrophobicContact CG-CD2 4.13Å; E318-Y320 HydrophobicContact CG-CE1 3.72Å; E318-Y320 HydrophobicContact CG-CE2 3.6Å; E318-Y320 HydrophobicContact CG-CG 4.42Å; Y320-K346 WeakPolarHBondContact CA-O 3.38Å; Y320-K346 HydrophobicContact CD1-CB 4.27Å; Y320-K346 HydrophobicContact CD1-CD 4.2Å; Y320-K346 HydrophobicContact CD1-CG 4.29Å; Y320-K346 HydrophobicContact CE1-CD 3.79Å; Y320-K346 HydrophobicContact CE1-CG 4.39Å; Y320-V348 HydrophobicContact CD1-CG2 3.5Å; Y320-V348 HydrophobicContact CE1-CG2 4.3Å; Y320-V348 HydrophobicContact CG-CG2 4.32Å; Y320-I395 HydrophobicContact CD1-CD1 4.48Å; Y320-I395 HydrophobicContact CD1-CG1 4.28Å; Y320-I395 HydrophobicContact CD2-CG2 3.72Å; Y320-I395 HydrophobicContact CE2-CG2 3.81Å; Y320-I395 HydrophobicContact CG-CD1 4.24Å; Y320-I395 HydrophobicContact CG-CG1 4.35Å; Y320-I395 HydrophobicContact CG-CG2 4.08Å; Y320-E398 PolarHBondContact OH-OE1 2.58Å; Y320-E398 VanDerWaalsContact OH-OE1 3.08Å; Y320-V399 HydrophobicContact CE2-CG2 4.39Å; Y320-M404 HydrophobicContact CE2-SD 4.46Å; Y320-M404 VanDerWaalsContact OH-CE 3.28Å; Y320-M404 WeakPolarHBondContact OH-CE 3.44Å; Y320-M404 PolarHBondContact OH-SD 2.96Å; Y320-M404 VanDerWaalsContact OH-SD 3.35Å; Y320-A407 HydrophobicContact CD2-CB 4.15Å; Y320-A407 HydrophobicContact CE2-CB 3.81Å; Y320-L408 PolarHBondContact N-O 3.44Å; Y320-I409 HydrophobicContact CD2-CG1 4.34Å; Y320-F410 PolarHBondContact O-N 3.15Å
321	L	98.6	Very high	96.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.4	165.8	171.7	63.4	0	0	0	109	M334 L335 L338 V345 K346 V347 V348 F410 D412	L321-M334 HydrophobicContact CD1-CB 4.05Å; L321-M334 HydrophobicContact CD1-CE 3.79Å; L321-M334 HydrophobicContact CD1-CG 4.07Å; L321-M334 HydrophobicContact CD2-CB 3.65Å; L321-L335 HydrophobicContact CD2-CD2 4.34Å; L321-L338 HydrophobicContact CD2-CD1 4.42Å; L321-V345 HydrophobicContact CB-CG2 3.56Å; L321-K346 PolarHBondContact N-O 2.85Å; L321-V347 HydrophobicContact CD2-CG2 4.33Å; L321-V348 PolarHBondContact O-N 3.08Å; L321-F410 HydrophobicContact CD1-CB 4.22Å; L321-D412 HydrophobicContact CD1-CB 4.35Å
322	I	98.3	Very high	96	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.2	174.2	-61	173.8	0	0	0	108	A350 H392 I395 I409 F410 D412	I322-A350 HydrophobicContact CG2-CB 3.6Å; I322-H392 WeakPolarHBondContact CD1-CE1 3.47Å; I322-H392 WeakPolarHBondContact CD1-ND1 3.49Å; I322-I395 HydrophobicContact CD1-CD1 3.63Å; I322-I395 HydrophobicContact CG1-CD1 3.54Å; I322-I409 HydrophobicContact CD1-CG2 3.63Å; I322-I409 HydrophobicContact CG1-CG2 4.11Å; I322-F410 PolarHBondContact N-O 3.37Å; I322-D412 WeakPolarHBondContact O-CB 3.4Å; I322-D412 PolarHBondContact O-N 3.09Å
323	N	97.5	Very high	95.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.4	178.8	167.8	-107.5	0	0	0	111	R325 R327 R331 V348 A350 D412	N323-R325 PolarHBondContact O-N 2.9Å; N323-R327 PolarHBondContact ND2-O 3.13Å; N323-R327 VanDerWaalsContact ND2-O 3.12Å; N323-R331 WeakPolarHBondContact OD1-CB 3.24Å; N323-R331 WeakPolarHBondContact OD1-CD 3.19Å; N323-V348 PolarHBondContact N-O 3.39Å; N323-V348 VanDerWaalsContact N-O 3.09Å; N323-A350 WeakPolarHBondContact O-CB 3.49Å; N323-A350 PolarHBondContact O-N 2.95Å; N323-D412 HydrophobicContact CB-CB 3.96Å; N323-D412 PolarHBondContact ND2-OD2 3.46Å
324	L	94.8	Very high	95.8	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.115	23%	0.227	C	C	.	.			trans	-69.5	129.2	170.4	-72.7	170.1	0	0	0	109.9	R326 R327 A350 D352 D545	L324-R326 HydrophobicContact CB-CG 4.25Å; L324-R326 PolarHBondContact O-N 3.1Å; L324-R327 HydrophobicContact CB-CB 4.39Å; L324-R327 HydrophobicContact CB-CG 4.07Å; L324-R327 HydrophobicContact CD1-CG 4.5Å; L324-R327 PolarHBondContact O-N 3.44Å; L324-A350 HydrophobicContact CD2-CB 3.95Å; L324-A350 HydrophobicContact CG-CB 4.23Å; L324-D352 HydrophobicContact CD2-CB 3.87Å; L324-D545 HydrophobicContact CD1-CB 3.82Å
325	R	94.1	Very high	95.9	Very high	190 Å²	190	49 Å²	49	72%	0.717	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.2	176.5	-77	-175.8	173.8	164.9	7.1	113.9	N323 R327 D349	N323-R325 PolarHBondContact O-N 2.9Å; R325-R327 VanDerWaalsContact C-N 3.26Å; R325-R327 PolarHBondContact O-N 3.21Å; R325-D349 HydrophobicContact CG-CB 3.82Å; R325-D349 WeakPolarHBondContact CG-OD1 3.23Å; R325-D349 IonicContact CZ-OD2 3.55Å; R325-D349 IonicContact NE-OD1 2.7Å; R325-D349 IonicContact NE-OD2 2.92Å; R325-D349 PolarHBondContact NE-OD2 2.94Å; R325-D349 IonicContact NH2-OD2 3.46Å; R325-D349 PolarHBondContact NH2-OD2 3.45Å
326	R	93.1	Very high	95.8	Very high	115 Å²	115	48.7 Å²	48.7	43%	0.434	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1	178.3	67.6	175.9	174.5	105.9	14.9	114.6	L324 P328 D352 N354 D545	L324-R326 HydrophobicContact CB-CG 4.25Å; L324-R326 PolarHBondContact O-N 3.1Å; R326-P328 WeakPolarHBondContact O-CD 3.49Å; R326-D352 WeakPolarHBondContact CD-OD2 3.38Å; R326-D352 IonicContact CZ-OD2 2.89Å; R326-D352 IonicContact NE-OD1 3.22Å; R326-D352 IonicContact NE-OD2 3Å; R326-D352 PolarHBondContact NE-OD2 2.95Å; R326-D352 IonicContact NH2-OD1 2.65Å; R326-N354 PolarHBondContact NH2-ND2 3.13Å; R326-D545 IonicContact CZ-OD1 2.59Å; R326-D545 IonicContact NH1-OD1 2.74Å; R326-D545 PolarHBondContact NH1-OD1 3.43Å; R326-D545 IonicContact NH2-OD1 2.62Å; R326-D545 PolarHBondContact NH2-OD1 2.93Å
327	R	92.8	Very high	95.7	Very high	42 Å²	42	48.2 Å²	48.2	16%	0.158	22%	0.22	C	C	.	.			trans	-114	64.1	178.1	-63.6	-58.1	-59	-101.9	6.4	112	N323 L324 R325 D329 R330 R331 D545	N323-R327 PolarHBondContact ND2-O 3.13Å; N323-R327 VanDerWaalsContact ND2-O 3.12Å; L324-R327 HydrophobicContact CB-CB 4.39Å; L324-R327 HydrophobicContact CB-CG 4.07Å; L324-R327 HydrophobicContact CD1-CG 4.5Å; L324-R327 PolarHBondContact O-N 3.44Å; R325-R327 VanDerWaalsContact C-N 3.26Å; R325-R327 PolarHBondContact O-N 3.21Å; R327-D329 VanDerWaalsContact C-OD1 3.28Å; R327-D329 VanDerWaalsContact CA-OD1 3.28Å; R327-D329 WeakPolarHBondContact CA-OD1 3.28Å; R327-D329 IonicContact CZ-OD1 3.11Å; R327-D329 IonicContact CZ-OD2 2.74Å; R327-D329 IonicContact NE-OD1 3.56Å; R327-D329 PolarHBondContact NE-OD1 3.26Å; R327-D329 IonicContact NE-OD2 3.69Å; R327-D329 PolarHBondContact NE-OD2 2.9Å; R327-D329 IonicContact NH2-OD1 3.45Å; R327-D329 IonicContact NH2-OD2 3.71Å; R327-D329 PolarHBondContact NH2-OD2 3.02Å; R327-D329 PolarHBondContact O-N 3.14Å; R327-R330 HydrophobicContact CB-CB 4.28Å; R327-R330 HydrophobicContact CB-CG 4.31Å; R327-R330 PolarHBondContact O-N 3.34Å; R327-R331 PolarHBondContact O-N 3.45Å; R327-R331 VanDerWaalsContact O-N 3.15Å; R327-D545 IonicContact CZ-OD2 3.46Å; R327-D545 IonicContact NH1-OD2 3.88Å; R327-D545 PolarHBondContact NH1-OD2 2.89Å
328	P	94.5	Very high	95.6	Very high	73 Å²	73	44.8 Å²	44.8	47%	0.474	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-29.1	176.7	28.6	-34.9	0	0	0	111.9	R326 R330 R331 D332	R326-P328 WeakPolarHBondContact O-CD 3.49Å; P328-R330 PolarHBondContact O-N 3.04Å; P328-R331 PolarHBondContact O-N 2.94Å; P328-D332 WeakPolarHBondContact O-CB 3.28Å; P328-D332 PolarHBondContact O-N 3.37Å
329	D	91.3	Very high	95.5	Very high	87 Å²	87	45.4 Å²	45.4	47%	0.465	21%	0.207	S	C	.	.	H	α-helix	trans	-55.9	-48.7	174.7	60.8	-51	0	0	0	112.2	R327 R333	R327-D329 VanDerWaalsContact C-OD1 3.28Å; R327-D329 VanDerWaalsContact CA-OD1 3.28Å; R327-D329 WeakPolarHBondContact CA-OD1 3.28Å; R327-D329 IonicContact CZ-OD1 3.11Å; R327-D329 IonicContact CZ-OD2 2.74Å; R327-D329 IonicContact NE-OD1 3.56Å; R327-D329 PolarHBondContact NE-OD1 3.26Å; R327-D329 IonicContact NE-OD2 3.69Å; R327-D329 PolarHBondContact NE-OD2 2.9Å; R327-D329 IonicContact NH2-OD1 3.45Å; R327-D329 IonicContact NH2-OD2 3.71Å; R327-D329 PolarHBondContact NH2-OD2 3.02Å; R327-D329 PolarHBondContact O-N 3.14Å; D329-R333 WeakPolarHBondContact O-CB 3.35Å; D329-R333 PolarHBondContact O-N 2.92Å
330	R	92.8	Very high	95.3	Very high	26 Å²	26	45.8 Å²	45.8	10%	0.098	21%	0.208	C	C	.	.	H	α-helix	trans	-71.6	-40	178.2	-63.6	-170.2	178.9	-169.9	-4	111.9	R327 P328 R333 M334 D412 D413 V543 D545	R327-R330 HydrophobicContact CB-CB 4.28Å; R327-R330 HydrophobicContact CB-CG 4.31Å; R327-R330 PolarHBondContact O-N 3.34Å; P328-R330 PolarHBondContact O-N 3.04Å; R330-R333 PolarHBondContact O-N 3.36Å; R330-M334 WeakPolarHBondContact O-CB 3.08Å; R330-M334 WeakPolarHBondContact O-CG 3.47Å; R330-M334 PolarHBondContact O-N 3.36Å; R330-D412 HydrophobicContact CB-CB 3.94Å; R330-D412 VanDerWaalsContact CD-CG 3.42Å; R330-D412 WeakPolarHBondContact CD-OD1 3.21Å; R330-D412 IonicContact CZ-OD1 3.11Å; R330-D412 IonicContact NE-OD1 2.83Å; R330-D412 IonicContact NH1-OD1 3.66Å; R330-D412 PolarHBondContact NH1-OD1 3.09Å; R330-D413 IonicContact CZ-OD2 2.67Å; R330-D413 IonicContact NH1-OD2 3.45Å; R330-D413 PolarHBondContact NH1-OD2 3.26Å; R330-D413 IonicContact NH2-OD2 3.58Å; R330-V543 PolarHBondContact NH2-O 3.23Å; R330-D545 IonicContact CZ-OD2 2.83Å
331	R	95.3	Very high	95.1	Very high	76 Å²	76	46.5 Å²	46.5	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-59.7	-51.7	178.1	-168.4	176.7	175.5	144.6	-0	111.5	N323 R327 P328 R333 M334 L335 D349	N323-R331 WeakPolarHBondContact OD1-CB 3.24Å; N323-R331 WeakPolarHBondContact OD1-CD 3.19Å; R327-R331 PolarHBondContact O-N 3.45Å; R327-R331 VanDerWaalsContact O-N 3.15Å; P328-R331 PolarHBondContact O-N 2.94Å; R331-R333 VanDerWaalsContact C-N 3.32Å; R331-R333 PolarHBondContact O-N 3.23Å; R331-M334 PolarHBondContact O-N 3.09Å; R331-L335 HydrophobicContact CG-CD1 3.95Å; R331-L335 HydrophobicContact CG-CG 4.36Å; R331-L335 WeakPolarHBondContact O-CB 3.44Å; R331-L335 VanDerWaalsContact O-CG 3.31Å; R331-L335 WeakPolarHBondContact O-CG 3.41Å; R331-L335 PolarHBondContact O-N 3.29Å; R331-D349 IonicContact NH1-OD1 3.6Å; R331-D349 PolarHBondContact NH1-OD1 3.47Å
332	D	94.4	Very high	95	Very high	104 Å²	104	48.6 Å²	48.6	56%	0.556	22%	0.222	S	C	*	.	H	α-helix	trans	-63.5	-41.4	-177.3	-69.6	-15.7	0	0	0	110.7	P328 Y336	P328-D332 WeakPolarHBondContact O-CB 3.28Å; P328-D332 PolarHBondContact O-N 3.37Å; D332-Y336 VanDerWaalsContact O-CB 3.27Å; D332-Y336 WeakPolarHBondContact O-CB 3.33Å; D332-Y336 PolarHBondContact O-N 2.74Å
333	R	94.8	Very high	95	Very high	37 Å²	37	48 Å²	48	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-47.1	174.4	-172.6	-167.9	65.9	82.8	2.8	112.2	L292 D329 R330 R331 S337 D412 V414 C534	L292-R333 HydrophobicContact CB-CG 4.03Å; L292-R333 WeakPolarHBondContact O-CD 3.44Å; D329-R333 WeakPolarHBondContact O-CB 3.35Å; D329-R333 PolarHBondContact O-N 2.92Å; R330-R333 PolarHBondContact O-N 3.36Å; R331-R333 VanDerWaalsContact C-N 3.32Å; R331-R333 PolarHBondContact O-N 3.23Å; R333-S337 WeakPolarHBondContact O-CB 3.13Å; R333-S337 PolarHBondContact O-N 2.67Å; R333-S337 PolarHBondContact O-OG 3.3Å; R333-D412 PolarHBondContact NH2-O 3.14Å; R333-V414 VanDerWaalsContact CZ-O 3.29Å; R333-V414 PolarHBondContact NH1-O 2.83Å; R333-V414 PolarHBondContact NH2-O 2.83Å; R333-C534 PolarHBondContact NH1-SG 3.46Å; R333-C534 PolarHBondContact NH2-SG 2.88Å; R333-C534 VanDerWaalsContact NH2-SG 3.4Å
334	M	96.3	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.6	-42.9	179.9	-78.2	-62	-68.9	0	0	112.3	L321 R330 R331 Y336 S337 L338 F410 D412 V414 F416	L321-M334 HydrophobicContact CD1-CB 4.05Å; L321-M334 HydrophobicContact CD1-CE 3.79Å; L321-M334 HydrophobicContact CD1-CG 4.07Å; L321-M334 HydrophobicContact CD2-CB 3.65Å; R330-M334 WeakPolarHBondContact O-CB 3.08Å; R330-M334 WeakPolarHBondContact O-CG 3.47Å; R330-M334 PolarHBondContact O-N 3.36Å; R331-M334 PolarHBondContact O-N 3.09Å; M334-Y336 VanDerWaalsContact C-N 3.34Å; M334-Y336 PolarHBondContact O-N 2.83Å; M334-S337 WeakPolarHBondContact O-CB 3.2Å; M334-S337 PolarHBondContact O-N 3.5Å; M334-S337 VanDerWaalsContact O-N 3.17Å; M334-L338 HydrophobicContact CE-CD1 4.44Å; M334-L338 WeakPolarHBondContact O-CB 3.35Å; M334-L338 WeakPolarHBondContact O-CG 3.25Å; M334-L338 PolarHBondContact O-N 2.92Å; M334-F410 HydrophobicContact CE-CB 4.16Å; M334-D412 VanDerWaalsContact CG-O 3.32Å; M334-D412 WeakPolarHBondContact CG-O 3.15Å; M334-V414 HydrophobicContact CE-CG2 3.51Å; M334-V414 HydrophobicContact SD-CG2 3.84Å; M334-F416 HydrophobicContact CE-CE2 3.93Å; M334-F416 HydrophobicContact CE-CZ 3.74Å; M334-F416 HydrophobicContact SD-CE2 4.17Å
335	L	96.1	Very high	95.2	Very high	61 Å²	61	51 Å²	51	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-40.2	176.1	-71.4	178.9	0	0	0	111.9	L321 R331 N339 V345 V347	L321-L335 HydrophobicContact CD2-CD2 4.34Å; R331-L335 HydrophobicContact CG-CD1 3.95Å; R331-L335 HydrophobicContact CG-CG 4.36Å; R331-L335 WeakPolarHBondContact O-CB 3.44Å; R331-L335 VanDerWaalsContact O-CG 3.31Å; R331-L335 WeakPolarHBondContact O-CG 3.41Å; R331-L335 PolarHBondContact O-N 3.29Å; L335-N339 VanDerWaalsContact O-CB 3.26Å; L335-N339 WeakPolarHBondContact O-CB 3.31Å; L335-N339 PolarHBondContact O-N 3.11Å; L335-V345 HydrophobicContact CD2-CG1 3.88Å; L335-V347 HydrophobicContact CD2-CG2 3.81Å
336	Y	94.8	Very high	95.4	Very high	51 Å²	51	45.4 Å²	45.4	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-48.2	171.7	-171.4	-76.1	0	0	0	110.4	L292 A297 M298 D332 M334 L338 N339 E340	L292-Y336 HydrophobicContact CD1-CD1 3.37Å; L292-Y336 HydrophobicContact CD1-CE1 3.88Å; L292-Y336 HydrophobicContact CD1-CG 4.27Å; L292-Y336 HydrophobicContact CD2-CD1 4.08Å; L292-Y336 HydrophobicContact CD2-CE1 4.28Å; L292-Y336 HydrophobicContact CG-CD1 4.33Å; A297-Y336 HydrophobicContact CB-CE2 4.29Å; M298-Y336 PolarHBondContact O-OH 2.06Å; D332-Y336 VanDerWaalsContact O-CB 3.27Å; D332-Y336 WeakPolarHBondContact O-CB 3.33Å; D332-Y336 PolarHBondContact O-N 2.74Å; M334-Y336 VanDerWaalsContact C-N 3.34Å; M334-Y336 PolarHBondContact O-N 2.83Å; Y336-L338 PolarHBondContact O-N 2.84Å; Y336-N339 PolarHBondContact O-N 2.98Å; Y336-E340 HydrophobicContact CD1-CG 3.74Å; Y336-E340 HydrophobicContact CE1-CG 3.39Å; Y336-E340 WeakPolarHBondContact O-CG 3.24Å; Y336-E340 PolarHBondContact O-N 3.18Å
337	S	95.8	Very high	95.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-46	-178.6	-60.4	0	0	0	0	112.8	L289 R333 M334 E340 L341	L289-S337 VanDerWaalsContact CD2-CA 3.48Å; R333-S337 WeakPolarHBondContact O-CB 3.13Å; R333-S337 PolarHBondContact O-N 2.67Å; R333-S337 PolarHBondContact O-OG 3.3Å; M334-S337 WeakPolarHBondContact O-CB 3.2Å; M334-S337 PolarHBondContact O-N 3.5Å; M334-S337 VanDerWaalsContact O-N 3.17Å; S337-E340 PolarHBondContact O-N 3.42Å; S337-L341 WeakPolarHBondContact O-CG 3.31Å; S337-L341 PolarHBondContact O-N 2.78Å
338	L	96.8	Very high	95.9	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-68.2	-35.6	179	-70.1	166.6	0	0	0	111.7	L321 M334 Y336 L341 E342 V343 V345 F410 F416	L321-L338 HydrophobicContact CD2-CD1 4.42Å; M334-L338 HydrophobicContact CE-CD1 4.44Å; M334-L338 WeakPolarHBondContact O-CB 3.35Å; M334-L338 WeakPolarHBondContact O-CG 3.25Å; M334-L338 PolarHBondContact O-N 2.92Å; Y336-L338 PolarHBondContact O-N 2.84Å; L338-L341 CarbonylContact O-C 3.54Å; L338-L341 PolarHBondContact O-N 3.32Å; L338-E342 PolarHBondContact O-N 2.92Å; L338-V343 HydrophobicContact CD2-CB 3.97Å; L338-V343 HydrophobicContact CD2-CG1 3.9Å; L338-V343 PolarHBondContact O-N 2.96Å; L338-V345 HydrophobicContact CD1-CB 3.97Å; L338-V345 HydrophobicContact CD1-CG1 3.75Å; L338-V345 HydrophobicContact CD1-CG2 4.03Å; L338-F410 HydrophobicContact CD2-CD2 4.35Å; L338-F410 HydrophobicContact CD2-CE2 3.98Å; L338-F416 HydrophobicContact CD2-CE1 4.36Å; L338-F416 HydrophobicContact CD2-CE2 4.4Å; L338-F416 HydrophobicContact CD2-CZ 3.72Å; L338-F416 HydrophobicContact CG-CZ 4.31Å
339	N	95.4	Very high	96	Very high	53 Å²	53	40.3 Å²	40.3	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-63.9	-42.8	171.3	179.2	76.7	0	0	0	112.1	K309 L335 Y336 L341 E342	K309-N339 WeakPolarHBondContact CD-O 3.5Å; L335-N339 VanDerWaalsContact O-CB 3.26Å; L335-N339 WeakPolarHBondContact O-CB 3.31Å; L335-N339 PolarHBondContact O-N 3.11Å; Y336-N339 PolarHBondContact O-N 2.98Å; N339-L341 VanDerWaalsContact C-N 3.29Å; N339-L341 PolarHBondContact O-N 3Å; N339-E342 PolarHBondContact O-N 2.86Å; N339-E342 VanDerWaalsContact O-N 3.12Å
340	E	94.4	Very high	96.2	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-34.2	174.2	-69.4	-55.4	124.3	0	0	113	Y45 V285 Q288 L289 K309 Y336 S337 E342	Y45-E340 PolarHBondContact OH-OE1 3.3Å; Y45-E340 PolarHBondContact OH-OE2 3.05Å; V285-E340 HydrophobicContact CG1-CB 4.21Å; Q288-E340 PolarHBondContact OE1-OE2 3.5Å; Q288-E340 VanDerWaalsContact OE1-OE2 3.09Å; L289-E340 HydrophobicContact CD2-CB 3.99Å; L289-E340 HydrophobicContact CD2-CG 4.46Å; K309-E340 IonicContact NZ-OE1 2.79Å; K309-E340 PolarHBondContact NZ-OE1 3.5Å; K309-E340 IonicContact NZ-OE2 2.79Å; K309-E340 PolarHBondContact NZ-OE2 3.35Å; Y336-E340 HydrophobicContact CD1-CG 3.74Å; Y336-E340 HydrophobicContact CE1-CG 3.39Å; Y336-E340 WeakPolarHBondContact O-CG 3.24Å; Y336-E340 PolarHBondContact O-N 3.18Å; S337-E340 PolarHBondContact O-N 3.42Å; E340-E342 VanDerWaalsContact C-N 3.25Å; E340-E342 PolarHBondContact O-N 2.85Å
341	L	95.9	Very high	96.3	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.084	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.7	174.7	-71	170.3	0	0	0	113.8	V285 L289 S337 L338 N339 V343 F416 F420 K421	V285-L341 HydrophobicContact CG1-CD2 4.17Å; L289-L341 HydrophobicContact CD1-CD1 3.9Å; L289-L341 HydrophobicContact CD1-CD2 3.77Å; L289-L341 HydrophobicContact CD1-CG 3.77Å; S337-L341 WeakPolarHBondContact O-CG 3.31Å; S337-L341 PolarHBondContact O-N 2.78Å; L338-L341 CarbonylContact O-C 3.54Å; L338-L341 PolarHBondContact O-N 3.32Å; N339-L341 VanDerWaalsContact C-N 3.29Å; N339-L341 PolarHBondContact O-N 3Å; L341-V343 VanDerWaalsContact C-N 3.28Å; L341-V343 HydrophobicContact CB-CB 4.49Å; L341-V343 HydrophobicContact CB-CG2 3.86Å; L341-V343 PolarHBondContact O-N 3.48Å; L341-F416 HydrophobicContact CD1-CB 4Å; L341-F416 HydrophobicContact CD1-CD1 3.81Å; L341-F416 HydrophobicContact CD1-CD2 3.57Å; L341-F416 HydrophobicContact CD1-CE1 4.12Å; L341-F416 HydrophobicContact CD1-CE2 3.91Å; L341-F416 HydrophobicContact CD1-CG 3.51Å; L341-F416 HydrophobicContact CD1-CZ 4.16Å; L341-F420 HydrophobicContact CD1-CD1 4.1Å; L341-F420 HydrophobicContact CD2-CB 4.27Å; L341-K421 VanDerWaalsContact O-CD 3.3Å; L341-K421 WeakPolarHBondContact O-CD 3.14Å
342	E	96.6	Very high	96.1	Very high	44 Å²	44	35.9 Å²	35.9	21%	0.206	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	40	-175.3	-53.2	-173.2	118.1	0	0	112.3	R281 K309 Q310 D312 L338 N339 E340 K421	R281-E342 IonicContact CZ-OE2 2.66Å; R281-E342 IonicContact NH1-OE2 2.82Å; R281-E342 IonicContact NH2-OE2 2.78Å; R281-E342 PolarHBondContact NH2-OE2 2.72Å; K309-E342 HydrophobicContact CB-CG 4.12Å; K309-E342 HydrophobicContact CD-CG 4.28Å; K309-E342 HydrophobicContact CG-CG 4.31Å; Q310-E342 WeakPolarHBondContact O-CB 3.23Å; D312-E342 PolarHBondContact N-O 3.27Å; L338-E342 PolarHBondContact O-N 2.92Å; N339-E342 PolarHBondContact O-N 2.86Å; N339-E342 VanDerWaalsContact O-N 3.12Å; E340-E342 VanDerWaalsContact C-N 3.25Å; E340-E342 PolarHBondContact O-N 2.85Å; E342-K421 PolarHBondContact O-NZ 3.16Å
343	V	97.9	Very high	95.8	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-110.5	125.8	179	178.2	0	0	0	0	108.6	V314 I319 L338 L341 K421	V314-V343 HydrophobicContact CG2-CB 4.39Å; V314-V343 HydrophobicContact CG2-CG1 4.03Å; V314-V343 HydrophobicContact CG2-CG2 3.78Å; I319-V343 HydrophobicContact CD1-CG1 3.57Å; I319-V343 HydrophobicContact CG2-CG1 4.46Å; L338-V343 HydrophobicContact CD2-CB 3.97Å; L338-V343 HydrophobicContact CD2-CG1 3.9Å; L338-V343 PolarHBondContact O-N 2.96Å; L341-V343 VanDerWaalsContact C-N 3.28Å; L341-V343 HydrophobicContact CB-CB 4.49Å; L341-V343 HydrophobicContact CB-CG2 3.86Å; L341-V343 PolarHBondContact O-N 3.48Å; V343-K421 HydrophobicContact CG2-CD 4.21Å
344	D	98.1	Very high	95.3	Very high	61 Å²	61	32.6 Å²	32.6	33%	0.326	17%	0.17	S	C	.	.			trans	-82.4	153.9	172.5	-153.9	23.3	0	0	0	110.9	R311 D312 L313 I319	R311-D344 HydrophobicContact CB-CB 3.86Å; R311-D344 IonicContact NH1-OD1 3.89Å; R311-D344 PolarHBondContact NH1-OD1 2.94Å; D312-D344 PolarHBondContact O-N 2.86Å; L313-D344 HydrophobicContact CD2-CB 4.07Å; I319-D344 WeakPolarHBondContact CB-O 3.44Å
345	V	98	Very high	94.8	Very high	24 Å²	24	36.1 Å²	36.1	15%	0.145	20%	0.2	C	C	.	.			trans	-154.2	140.6	-173.9	71.9	0	0	0	0	112.4	I319 L321 L335 L338	I319-V345 HydrophobicContact CG2-CG2 4.1Å; I319-V345 CarbonylContact O-C 3.51Å; I319-V345 WeakPolarHBondContact O-CA 3.44Å; I319-V345 VanDerWaalsContact O-CG2 3.26Å; I319-V345 WeakPolarHBondContact O-CG2 3.26Å; L321-V345 HydrophobicContact CB-CG2 3.56Å; L335-V345 HydrophobicContact CD2-CG1 3.88Å; L338-V345 HydrophobicContact CD1-CB 3.97Å; L338-V345 HydrophobicContact CD1-CG1 3.75Å; L338-V345 HydrophobicContact CD1-CG2 4.03Å
346	K	98.4	Very high	94.3	Very high	73 Å²	73	34.5 Å²	34.5	32%	0.317	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.8	164.1	179.4	172.4	167.3	-177.1	0	110	E318 I319 Y320 L321 V348 E398	E318-K346 HydrophobicContact CG-CB 4.13Å; E318-K346 HydrophobicContact CG-CD 4.27Å; I319-K346 PolarHBondContact O-N 3.3Å; Y320-K346 WeakPolarHBondContact CA-O 3.38Å; Y320-K346 HydrophobicContact CD1-CB 4.27Å; Y320-K346 HydrophobicContact CD1-CD 4.2Å; Y320-K346 HydrophobicContact CD1-CG 4.29Å; Y320-K346 HydrophobicContact CE1-CD 3.79Å; Y320-K346 HydrophobicContact CE1-CG 4.39Å; L321-K346 PolarHBondContact N-O 2.85Å; K346-V348 PolarHBondContact O-N 3.01Å; K346-E398 IonicContact NZ-OE1 3.38Å; K346-E398 PolarHBondContact NZ-OE1 3.3Å; K346-E398 IonicContact NZ-OE2 3.51Å; K346-E398 PolarHBondContact NZ-OE2 3.27Å
347	V	98.3	Very high	93.6	Very high	36 Å²	36	34.9 Å²	34.9	22%	0.218	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.3	174	-173.3	0	0	0	0	109.7	L321 L335	L321-V347 HydrophobicContact CD2-CG2 4.33Å; L335-V347 HydrophobicContact CD2-CG2 3.81Å
348	V	97.8	Very high	92.8	Very high	29 Å²	29	36 Å²	36	18%	0.176	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.2	173.1	-177.8	0	0	0	0	107.9	Y320 L321 N323 K346 A350 I395	Y320-V348 HydrophobicContact CD1-CG2 3.5Å; Y320-V348 HydrophobicContact CE1-CG2 4.3Å; Y320-V348 HydrophobicContact CG-CG2 4.32Å; L321-V348 PolarHBondContact O-N 3.08Å; N323-V348 PolarHBondContact N-O 3.39Å; N323-V348 VanDerWaalsContact N-O 3.09Å; K346-V348 PolarHBondContact O-N 3.01Å; V348-A350 PolarHBondContact O-N 3.46Å; V348-I395 HydrophobicContact CG1-CD1 4.5Å; V348-I395 HydrophobicContact CG2-CD1 4.11Å; V348-I395 HydrophobicContact CG2-CG1 4.24Å
349	D	97.1	Very high	92.2	Very high	58 Å²	58	40.1 Å²	40.1	31%	0.31	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	104.1	171.3	-67.4	-39.3	0	0	0	108.4	R325 R331	R325-D349 HydrophobicContact CG-CB 3.82Å; R325-D349 WeakPolarHBondContact CG-OD1 3.23Å; R325-D349 IonicContact CZ-OD2 3.55Å; R325-D349 IonicContact NE-OD1 2.7Å; R325-D349 IonicContact NE-OD2 2.92Å; R325-D349 PolarHBondContact NE-OD2 2.94Å; R325-D349 IonicContact NH2-OD2 3.46Å; R325-D349 PolarHBondContact NH2-OD2 3.45Å; R331-D349 IonicContact NH1-OD1 3.6Å; R331-D349 PolarHBondContact NH1-OD1 3.47Å
350	A	95.1	Very high	91.6	Very high	15 Å²	15	40.4 Å²	40.4	12%	0.124	24%	0.235	C	C	.	.			trans	-61.2	146.7	-178.2	0	0	0	0	0	110.8	I322 N323 L324 V348 D352 S391	I322-A350 HydrophobicContact CG2-CB 3.6Å; N323-A350 WeakPolarHBondContact O-CB 3.49Å; N323-A350 PolarHBondContact O-N 2.95Å; L324-A350 HydrophobicContact CD2-CB 3.95Å; L324-A350 HydrophobicContact CG-CB 4.23Å; V348-A350 PolarHBondContact O-N 3.46Å; A350-D352 PolarHBondContact O-N 3.12Å; A350-S391 WeakPolarHBondContact CA-OG 3.27Å
351	I	94.2	Very high	91.1	Very high	43 Å²	43	40.1 Å²	40.1	22%	0.221	23%	0.234	C	C	.	.			trans	-70.8	113.9	175.8	-67.6	166.7	0	0	0	108.2	G353 L356 G387 L390 S391 Y394	I351-G353 PolarHBondContact O-N 3.39Å; I351-G353 VanDerWaalsContact O-N 3.11Å; I351-L356 HydrophobicContact CG2-CD1 3.86Å; I351-L356 HydrophobicContact CG2-CD2 4.46Å; I351-L356 HydrophobicContact CG2-CG 4.35Å; I351-G387 CarbonylContact O-C 3.52Å; I351-G387 VanDerWaalsContact O-CA 3.27Å; I351-G387 WeakPolarHBondContact O-CA 3.45Å; I351-L390 HydrophobicContact CD1-CB 3.46Å; I351-L390 VanDerWaalsContact CD1-CB 3.46Å; I351-L390 HydrophobicContact CD1-CD1 4.37Å; I351-L390 HydrophobicContact CG2-CD1 4.32Å; I351-S391 PolarHBondContact N-OG 3.47Å; I351-Y394 HydrophobicContact CD1-CD2 3.54Å; I351-Y394 HydrophobicContact CD1-CE2 3.46Å; I351-Y394 VanDerWaalsContact CD1-CE2 3.46Å
352	D	91.8	Very high	90.5	Very high	38 Å²	38	46.8 Å²	46.8	20%	0.203	26%	0.262	C	S	.	.			trans	-75.5	102.8	176.6	-165.7	-17.5	0	0	0	109.8	L324 R326 A350 N354 A355	L324-D352 HydrophobicContact CD2-CB 3.87Å; R326-D352 WeakPolarHBondContact CD-OD2 3.38Å; R326-D352 IonicContact CZ-OD2 2.89Å; R326-D352 IonicContact NE-OD1 3.22Å; R326-D352 IonicContact NE-OD2 3Å; R326-D352 PolarHBondContact NE-OD2 2.95Å; R326-D352 IonicContact NH2-OD1 2.65Å; A350-D352 PolarHBondContact O-N 3.12Å; D352-N354 PolarHBondContact O-N 2.97Å; D352-N354 WeakPolarHBondContact OD1-CB 3.34Å; D352-N354 PolarHBondContact OD1-N 3.02Å; D352-A355 HydrophobicContact CB-CB 4.11Å; D352-A355 WeakPolarHBondContact O-CB 3.35Å; D352-A355 PolarHBondContact O-N 3.34Å
353	G	87.6	Confident	90.1	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.021	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-51.8	-36.7	175.9	0	0	0	0	0	113.4	I351 A355 L356 K383	I351-G353 PolarHBondContact O-N 3.39Å; I351-G353 VanDerWaalsContact O-N 3.11Å; G353-A355 PolarHBondContact O-N 2.86Å; G353-L356 WeakPolarHBondContact O-CB 3.16Å; G353-L356 PolarHBondContact O-N 3.48Å; G353-K383 WeakPolarHBondContact CA-O 3.46Å; G353-K383 VanDerWaalsContact O-CB 3.29Å; G353-K383 WeakPolarHBondContact O-CB 3.25Å; G353-K383 WeakPolarHBondContact O-CD 3.42Å
354	N	84.6	Confident	89.6	Confident	69 Å²	69	55.9 Å²	55.9	37%	0.369	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-69.1	-18.3	179.8	-68.3	-51.6	0	0	0	113.2	R326 D352 S549	R326-N354 PolarHBondContact NH2-ND2 3.13Å; D352-N354 PolarHBondContact O-N 2.97Å; D352-N354 WeakPolarHBondContact OD1-CB 3.34Å; D352-N354 PolarHBondContact OD1-N 3.02Å; N354-S549 WeakPolarHBondContact OD1-CB 3.5Å
355	A	85.7	Confident	89.1	Confident	75 Å²	75	54.7 Å²	54.7	62%	0.62	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-85.5	-12.4	174.8	0	0	0	0	0	112.7	D352 G353	D352-A355 HydrophobicContact CB-CB 4.11Å; D352-A355 WeakPolarHBondContact O-CB 3.35Å; D352-A355 PolarHBondContact O-N 3.34Å; G353-A355 PolarHBondContact O-N 2.86Å
356	L	85.3	Confident	88.6	Confident	26 Å²	26	53.6 Å²	53.6	14%	0.136	30%	0.299	C	S	.	.			trans	-85.2	136	177.9	-59.7	177.4	0	0	0	110.9	I351 G353 D360 I361 L364 K383 V386 L390	I351-L356 HydrophobicContact CG2-CD1 3.86Å; I351-L356 HydrophobicContact CG2-CD2 4.46Å; I351-L356 HydrophobicContact CG2-CG 4.35Å; G353-L356 WeakPolarHBondContact O-CB 3.16Å; G353-L356 PolarHBondContact O-N 3.48Å; L356-D360 HydrophobicContact CD2-CB 4.09Å; L356-I361 HydrophobicContact CB-CD1 4.43Å; L356-I361 HydrophobicContact CB-CG1 4.14Å; L356-I361 HydrophobicContact CD1-CG1 4.3Å; L356-L364 HydrophobicContact CD2-CD1 4.5Å; L356-K383 VanDerWaalsContact O-CD 3.31Å; L356-K383 WeakPolarHBondContact O-CD 3.31Å; L356-K383 WeakPolarHBondContact O-CE 3.39Å; L356-K383 PolarHBondContact O-NZ 2.71Å; L356-V386 HydrophobicContact CD1-CG1 4.45Å; L356-L390 HydrophobicContact CD1-CD1 4.23Å
357	N	81.8	Confident	88.1	Confident	60 Å²	60	54.2 Å²	54.2	32%	0.321	31%	0.306	S	S	.	.			trans	-98.4	168.4	163.5	68.9	61.9	0	0	0	110.7	S359 D360 I361	N357-S359 PolarHBondContact O-N 3.42Å; N357-S359 VanDerWaalsContact OD1-CA 3.3Å; N357-S359 WeakPolarHBondContact OD1-CA 3.4Å; N357-S359 WeakPolarHBondContact OD1-CB 3.39Å; N357-S359 PolarHBondContact OD1-N 3.04Å; N357-D360 PolarHBondContact N-OD2 2.75Å; N357-D360 VanDerWaalsContact ND2-CG 3.29Å; N357-D360 PolarHBondContact ND2-OD1 2.49Å; N357-D360 PolarHBondContact ND2-OD2 3.16Å; N357-D360 WeakPolarHBondContact O-CB 3.27Å; N357-D360 PolarHBondContact O-N 2.97Å; N357-D360 VanDerWaalsContact O-N 3.1Å; N357-D360 PolarHBondContact OD1-N 3.47Å; N357-I361 PolarHBondContact O-N 3.38Å; N357-I361 VanDerWaalsContact O-N 3.16Å
358	S	78.8	Confident	87.6	Confident	24 Å²	24	54 Å²	54	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-23.8	-177.9	-49.3	0	0	0	0	114	K362	S358-K362 WeakPolarHBondContact O-CG 3.49Å; S358-K362 PolarHBondContact O-N 3.35Å
359	S	82.6	Confident	87.1	Confident	88 Å²	88	52.6 Å²	52.6	62%	0.615	30%	0.295	S	S	*	.	H	α-helix	trans	-74.3	-38.6	174.8	-53.3	0	0	0	0	111.5	N357 I361 K362 F363	N357-S359 PolarHBondContact O-N 3.42Å; N357-S359 VanDerWaalsContact OD1-CA 3.3Å; N357-S359 WeakPolarHBondContact OD1-CA 3.4Å; N357-S359 WeakPolarHBondContact OD1-CB 3.39Å; N357-S359 PolarHBondContact OD1-N 3.04Å; S359-I361 VanDerWaalsContact C-N 3.35Å; S359-K362 PolarHBondContact O-N 3.28Å; S359-F363 WeakPolarHBondContact O-CB 3.39Å; S359-F363 PolarHBondContact O-N 3.18Å
360	D	84.6	Confident	86.5	Confident	59 Å²	59	53.8 Å²	53.8	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-45.5	174.8	-54.6	-33.4	0	0	0	110.4	L356 N357 K362 F363 L364	L356-D360 HydrophobicContact CD2-CB 4.09Å; N357-D360 PolarHBondContact N-OD2 2.75Å; N357-D360 VanDerWaalsContact ND2-CG 3.29Å; N357-D360 PolarHBondContact ND2-OD1 2.49Å; N357-D360 PolarHBondContact ND2-OD2 3.16Å; N357-D360 WeakPolarHBondContact O-CB 3.27Å; N357-D360 PolarHBondContact O-N 2.97Å; N357-D360 VanDerWaalsContact O-N 3.1Å; N357-D360 PolarHBondContact OD1-N 3.47Å; D360-K362 PolarHBondContact O-N 3.35Å; D360-F363 WeakPolarHBondContact O-CB 3.45Å; D360-F363 PolarHBondContact O-N 3.32Å; D360-F363 VanDerWaalsContact O-N 3.15Å; D360-L364 VanDerWaalsContact O-CG 3.29Å; D360-L364 WeakPolarHBondContact O-CG 3.49Å; D360-L364 PolarHBondContact O-N 2.93Å
361	I	83.9	Confident	85.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-46.4	178.5	-67.6	173.3	0	0	0	110.8	L356 N357 S359 F363 L364 G365 V366 K383 V386 W552	L356-I361 HydrophobicContact CB-CD1 4.43Å; L356-I361 HydrophobicContact CB-CG1 4.14Å; L356-I361 HydrophobicContact CD1-CG1 4.3Å; N357-I361 PolarHBondContact O-N 3.38Å; N357-I361 VanDerWaalsContact O-N 3.16Å; S359-I361 VanDerWaalsContact C-N 3.35Å; I361-F363 PolarHBondContact O-N 2.73Å; I361-L364 PolarHBondContact O-N 2.81Å; I361-G365 PolarHBondContact O-N 3.04Å; I361-V366 HydrophobicContact CG2-CB 3.65Å; I361-V366 HydrophobicContact CG2-CG1 3.79Å; I361-V366 WeakPolarHBondContact O-CB 3.35Å; I361-V366 PolarHBondContact O-N 3.03Å; I361-V366 VanDerWaalsContact O-N 3.13Å; I361-K383 HydrophobicContact CD1-CG 4.29Å; I361-V386 HydrophobicContact CG1-CG1 4.48Å; I361-W552 VanDerWaalsContact CD1-O 3.27Å; I361-W552 WeakPolarHBondContact CD1-O 3.37Å; I361-W552 HydrophobicContact CG2-CE3 4.12Å; I361-W552 HydrophobicContact CG2-CZ3 4.45Å
362	K	83.1	Confident	85.2	Confident	155 Å²	155	53.7 Å²	53.7	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-64.2	-39.7	175.3	-75	-179.2	-180	-179.6	0	112.9	S358 S359 D360 L364 G365	S358-K362 WeakPolarHBondContact O-CG 3.49Å; S358-K362 PolarHBondContact O-N 3.35Å; S359-K362 PolarHBondContact O-N 3.28Å; D360-K362 PolarHBondContact O-N 3.35Å; K362-L364 VanDerWaalsContact C-N 3.26Å; K362-L364 PolarHBondContact O-N 2.96Å; K362-G365 PolarHBondContact O-N 3.47Å
363	F	86.7	Confident	84.6	Confident	187 Å²	187	58.2 Å²	58.2	82%	0.82	33%	0.331	S	S	*	.	H	α-helix	trans	-64.4	-33	177.5	-177.9	-95.5	0	0	0	112.2	S359 D360 I361 G365	S359-F363 WeakPolarHBondContact O-CB 3.39Å; S359-F363 PolarHBondContact O-N 3.18Å; D360-F363 WeakPolarHBondContact O-CB 3.45Å; D360-F363 PolarHBondContact O-N 3.32Å; D360-F363 VanDerWaalsContact O-N 3.15Å; I361-F363 PolarHBondContact O-N 2.73Å; F363-G365 PolarHBondContact O-N 3.39Å
364	L	87.8	Confident	83.6	Confident	50 Å²	50	58.3 Å²	58.3	26%	0.262	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-2	172.9	-66.6	169.8	0	0	0	113.3	L356 D360 I361 K362 V366 L390	L356-L364 HydrophobicContact CD2-CD1 4.5Å; D360-L364 VanDerWaalsContact O-CG 3.29Å; D360-L364 WeakPolarHBondContact O-CG 3.49Å; D360-L364 PolarHBondContact O-N 2.93Å; I361-L364 PolarHBondContact O-N 2.81Å; K362-L364 VanDerWaalsContact C-N 3.26Å; K362-L364 PolarHBondContact O-N 2.96Å; L364-V366 VanDerWaalsContact C-N 3.28Å; L364-V366 HydrophobicContact CB-CG2 4.06Å; L364-V366 PolarHBondContact O-N 3.22Å; L364-L390 HydrophobicContact CD1-CD1 3.82Å
365	G	87.7	Confident	82.4	Confident	36 Å²	36	57.5 Å²	57.5	37%	0.371	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	25.2	-179	0	0	0	0	0	113.1	I361 K362 F363 L490	I361-G365 PolarHBondContact O-N 3.04Å; K362-G365 PolarHBondContact O-N 3.47Å; F363-G365 PolarHBondContact O-N 3.39Å; G365-L490 CarbonylContact O-C 3.56Å
366	V	88.5	Confident	81.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	31%	0.308	C	S	.	.			trans	-85.6	115.4	178.9	176.5	0	0	0	0	109.6	I361 L364 V386 L390 L490 M493	I361-V366 HydrophobicContact CG2-CB 3.65Å; I361-V366 HydrophobicContact CG2-CG1 3.79Å; I361-V366 WeakPolarHBondContact O-CB 3.35Å; I361-V366 PolarHBondContact O-N 3.03Å; I361-V366 VanDerWaalsContact O-N 3.13Å; L364-V366 VanDerWaalsContact C-N 3.28Å; L364-V366 HydrophobicContact CB-CG2 4.06Å; L364-V366 PolarHBondContact O-N 3.22Å; V366-V386 HydrophobicContact CG1-CG1 4.26Å; V366-L390 HydrophobicContact CG2-CD2 4.04Å; V366-L490 CarbonylContact C-O 3.46Å; V366-L490 VanDerWaalsContact CA-O 3.28Å; V366-L490 WeakPolarHBondContact CA-O 3.46Å; V366-L490 HydrophobicContact CG2-CD2 4.45Å; V366-M493 HydrophobicContact CB-CE 4.22Å; V366-M493 HydrophobicContact CG1-CB 4.15Å; V366-M493 HydrophobicContact CG1-CE 3.61Å; V366-M493 HydrophobicContact CG1-SD 3.59Å; V366-M493 VanDerWaalsContact CG1-SD 3.59Å; V366-M493 HydrophobicContact CG2-CE 3.61Å
367	D	87.8	Confident	79.8	Confident	86 Å²	86	56 Å²	56	46%	0.46	31%	0.312	S	S	.	.			trans	-120.2	139.3	170.9	-72.7	-46	0	0	0	109.5	L490 S491 K492 M493	D367-L490 PolarHBondContact N-O 2.87Å; D367-S491 WeakPolarHBondContact CB-O 3.33Å; D367-S491 CarbonylContact O-C 3.34Å; D367-K492 CarbonylContact O-C 3.52Å; D367-K492 WeakPolarHBondContact O-CA 3.37Å; D367-K492 PolarHBondContact O-N 3.24Å; D367-M493 PolarHBondContact O-N 3.37Å
368	L	86.5	Confident	78.9	Confident	31 Å²	31	55.6 Å²	55.6	16%	0.162	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-68	139.2	176.6	-178.8	67.4	0	0	0	110.7	P370 Y372 T380 L381 W552	L368-P370 WeakPolarHBondContact O-CD 3.36Å; L368-Y372 HydrophobicContact CD1-CD1 3.88Å; L368-Y372 HydrophobicContact CD1-CG 4.4Å; L368-T380 HydrophobicContact CD2-CG2 4.04Å; L368-L381 HydrophobicContact CD1-CB 4.06Å; L368-L381 HydrophobicContact CD1-CD1 3.34Å; L368-L381 HydrophobicContact CD1-CG 3.88Å; L368-W552 HydrophobicContact CB-CD2 4.48Å; L368-W552 HydrophobicContact CB-CH2 3.67Å; L368-W552 HydrophobicContact CB-CZ2 3.43Å; L368-W552 VanDerWaalsContact CB-CZ2 3.43Å; L368-W552 HydrophobicContact CB-CZ3 4.29Å; L368-W552 HydrophobicContact CD2-CZ2 3.91Å; L368-W552 HydrophobicContact CG-CZ2 4.25Å
369	L	88.8	Confident	78.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-54.9	122.8	168	-177.3	80	0	0	0	109.8	G371 Y372 K492 M493 L494 Y512 H515 F516	L369-G371 PolarHBondContact O-N 3.03Å; L369-Y372 WeakPolarHBondContact O-CB 3.48Å; L369-Y372 PolarHBondContact O-N 3.29Å; L369-K492 HydrophobicContact CD1-CB 3.79Å; L369-M493 WeakPolarHBondContact CB-O 3.44Å; L369-M493 PolarHBondContact N-O 3.02Å; L369-L494 HydrophobicContact CB-CD2 4.02Å; L369-L494 HydrophobicContact CD1-CD2 4.37Å; L369-L494 HydrophobicContact CD2-CD2 3.54Å; L369-L494 HydrophobicContact CG-CD2 4.16Å; L369-Y512 HydrophobicContact CD2-CD1 3.84Å; L369-Y512 HydrophobicContact CD2-CG 3.95Å; L369-H515 HydrophobicContact CD1-CB 3.51Å; L369-H515 VanDerWaalsContact CD1-CG 3.45Å; L369-F516 HydrophobicContact CD1-CE2 3.99Å; L369-F516 HydrophobicContact CD1-CZ 4.45Å
370	P	84.3	Confident	78.6	Confident	83 Å²	83	52.8 Å²	52.8	54%	0.539	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	127.2	179.1	-27.2	35.5	0	0	0	112.2	L368 Y372	L368-P370 WeakPolarHBondContact O-CD 3.36Å; P370-Y372 VanDerWaalsContact C-N 3.31Å; P370-Y372 PolarHBondContact O-N 3.04Å
371	G	79.6	Confident	78.5	Confident	54 Å²	54	50 Å²	50	56%	0.557	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	7.1	178.9	0	0	0	0	0	115.3	L369 Y373	L369-G371 PolarHBondContact O-N 3.03Å; G371-Y373 WeakPolarHBondContact O-CD2 3.38Å; G371-Y373 PolarHBondContact O-N 3.38Å
372	Y	82.3	Confident	78.6	Confident	1 Å²	1	50 Å²	50	0%	0.004	28%	0.282	C	S	.	.			trans	-69.3	127	172.7	177.1	-94.6	0	0	0	112	L368 L369 P370 L381 L494 P495 Y512	L368-Y372 HydrophobicContact CD1-CD1 3.88Å; L368-Y372 HydrophobicContact CD1-CG 4.4Å; L369-Y372 WeakPolarHBondContact O-CB 3.48Å; L369-Y372 PolarHBondContact O-N 3.29Å; P370-Y372 VanDerWaalsContact C-N 3.31Å; P370-Y372 PolarHBondContact O-N 3.04Å; Y372-L381 HydrophobicContact CE1-CG 4.31Å; Y372-L494 HydrophobicContact CD2-CB 3.81Å; Y372-L494 HydrophobicContact CE2-CB 3.98Å; Y372-L494 HydrophobicContact CG-CB 4.21Å; Y372-P495 HydrophobicContact CE1-CG 4.39Å; Y372-P495 WeakPolarHBondContact OH-CD 3.1Å; Y372-P495 WeakPolarHBondContact OH-CG 3.37Å; Y372-Y512 HydrophobicContact CD2-CD2 4.38Å; Y372-Y512 AromaticContact CD2-CE2 3.84Å; Y372-Y512 HydrophobicContact CD2-CE2 3.84Å; Y372-Y512 HydrophobicContact CE2-CE2 4.22Å
373	Y	78.4	Confident	78.7	Confident	134 Å²	134	43 Å²	43	53%	0.525	25%	0.252	S	S	.	.			trans	-139.7	134.6	166	-65.8	-88.3	0	0	0	107.5	G371 P375 R379 T380 Y512	G371-Y373 WeakPolarHBondContact O-CD2 3.38Å; G371-Y373 PolarHBondContact O-N 3.38Å; Y373-P375 WeakPolarHBondContact O-CD 3.48Å; Y373-R379 CarbonylContact C-O 3.31Å; Y373-R379 WeakPolarHBondContact CA-O 3.39Å; Y373-T380 HydrophobicContact CD1-CG2 4.14Å; Y373-T380 HydrophobicContact CE1-CG2 3.96Å; Y373-Y512 PolarHBondContact N-OH 2.71Å; Y373-Y512 PolarHBondContact O-OH 2.74Å; Y373-Y512 VanDerWaalsContact O-OH 3.13Å
374	D	65.9	Low	78.7	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.016	22%	0.216	C	C	.	.			trans	-60.2	122.6	174.5	173.5	-93.7	0	0	0	109.2	F376 S377 G378 R379	D374-F376 PolarHBondContact O-N 2.98Å; D374-F376 VanDerWaalsContact O-N 3.1Å; D374-F376 PolarHBondContact OD1-N 2.54Å; D374-F376 VanDerWaalsContact OD1-N 3.1Å; D374-S377 VanDerWaalsContact CB-OG 3.27Å; D374-S377 WeakPolarHBondContact CB-OG 3.3Å; D374-S377 PolarHBondContact O-N 3.17Å; D374-S377 VanDerWaalsContact OD1-CB 3.31Å; D374-S377 WeakPolarHBondContact OD1-CB 3.43Å; D374-S377 PolarHBondContact OD1-N 2.82Å; D374-S377 PolarHBondContact OD1-OG 3.42Å; D374-G378 VanDerWaalsContact O-CA 3.31Å; D374-G378 WeakPolarHBondContact O-CA 3.42Å; D374-G378 PolarHBondContact O-N 2.9Å; D374-R379 PolarHBondContact N-O 3.23Å
375	P	60.5	Low	78.8	Confident	52 Å²	52	32.6 Å²	32.6	34%	0.338	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.2	-169.4	24.1	-31.6	0	0	0	114.1	Y373 M577	Y373-P375 WeakPolarHBondContact O-CD 3.48Å; P375-M577 HydrophobicContact CB-CE 3.96Å; P375-M577 HydrophobicContact CB-SD 4.35Å; P375-M577 HydrophobicContact CG-CE 3.9Å; P375-M577 HydrophobicContact CG-SD 4.42Å
376	F	58.3	Low	79	Confident	36 Å²	36	30.9 Å²	30.9	16%	0.158	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-27.3	-177.7	-59.8	-89.3	0	0	0	113.3	D374 Y469 S564 H565 K566 P574	D374-F376 PolarHBondContact O-N 2.98Å; D374-F376 VanDerWaalsContact O-N 3.1Å; D374-F376 PolarHBondContact OD1-N 2.54Å; D374-F376 VanDerWaalsContact OD1-N 3.1Å; F376-Y469 HydrophobicContact CE2-CE1 4.27Å; F376-Y469 HydrophobicContact CE2-CE2 4.1Å; F376-Y469 AromaticContact CE2-CZ 3.6Å; F376-Y469 WeakPolarHBondContact CE2-OH 3.27Å; F376-Y469 AromaticContact CZ-CE2 3.95Å; F376-Y469 HydrophobicContact CZ-CE2 3.95Å; F376-Y469 AromaticContact CZ-CZ 3.82Å; F376-Y469 VanDerWaalsContact CZ-OH 3.28Å; F376-Y469 WeakPolarHBondContact CZ-OH 3.38Å; F376-S564 WeakPolarHBondContact CB-OG 3.44Å; F376-H565 HydrophobicContact CD1-CB 3.58Å; F376-H565 HydrophobicContact CE1-CB 4.19Å; F376-H565 HydrophobicContact CG-CB 4.42Å; F376-K566 HydrophobicContact CD2-CB 3.56Å; F376-K566 HydrophobicContact CD2-CD 4.19Å; F376-K566 HydrophobicContact CD2-CG 4.21Å; F376-K566 HydrophobicContact CE2-CB 3.68Å; F376-K566 HydrophobicContact CE2-CD 4.15Å; F376-K566 HydrophobicContact CE2-CG 3.98Å; F376-K566 HydrophobicContact CG-CB 3.99Å; F376-K566 HydrophobicContact CZ-CB 4.19Å; F376-P574 HydrophobicContact CD1-CG 3.97Å; F376-P574 HydrophobicContact CE1-CG 3.99Å
377	S	58	Low	79.2	Confident	33 Å²	33	30.9 Å²	30.9	23%	0.231	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-18.1	-178.1	61.2	0	0	0	0	113.2	D374 R379 W561	D374-S377 VanDerWaalsContact CB-OG 3.27Å; D374-S377 WeakPolarHBondContact CB-OG 3.3Å; D374-S377 PolarHBondContact O-N 3.17Å; D374-S377 VanDerWaalsContact OD1-CB 3.31Å; D374-S377 WeakPolarHBondContact OD1-CB 3.43Å; D374-S377 PolarHBondContact OD1-N 2.82Å; D374-S377 PolarHBondContact OD1-OG 3.42Å; S377-R379 PolarHBondContact O-N 3.42Å; S377-R379 WeakPolarHBondContact OG-CG 3.41Å; S377-W561 VanDerWaalsContact CB-CH2 3.48Å
378	G	63.7	Low	79.6	Confident	52 Å²	52	28 Å²	28	54%	0.536	18%	0.175	S	C	.	.			trans	70.6	8.5	-177.6	0	0	0	0	0	114.4	D374	D374-G378 VanDerWaalsContact O-CA 3.31Å; D374-G378 WeakPolarHBondContact O-CA 3.42Å; D374-G378 PolarHBondContact O-N 2.9Å
379	R	72.9	Confident	80	Confident	30 Å²	30	26.6 Å²	26.6	11%	0.113	17%	0.167	C	C	.	.			trans	-95	164.7	178.4	56.7	154	-175.8	89.7	-3.1	112.5	Y373 D374 S377 T382 E385 L551	Y373-R379 CarbonylContact C-O 3.31Å; Y373-R379 WeakPolarHBondContact CA-O 3.39Å; D374-R379 PolarHBondContact N-O 3.23Å; S377-R379 PolarHBondContact O-N 3.42Å; S377-R379 WeakPolarHBondContact OG-CG 3.41Å; R379-T382 VanDerWaalsContact CZ-CG2 3.41Å; R379-E385 IonicContact CZ-OE1 2.8Å; R379-E385 IonicContact CZ-OE2 2.64Å; R379-E385 VanDerWaalsContact NH1-CD 3.34Å; R379-E385 IonicContact NH1-OE1 3.94Å; R379-E385 PolarHBondContact NH1-OE1 3.2Å; R379-E385 IonicContact NH1-OE2 3.88Å; R379-E385 PolarHBondContact NH1-OE2 3.32Å; R379-E385 IonicContact NH2-OE1 2.67Å; R379-E385 PolarHBondContact NH2-OE1 2.79Å; R379-E385 IonicContact NH2-OE2 3.02Å; R379-L551 HydrophobicContact CB-CD2 4.28Å
380	T	81.9	Confident	80.4	Confident	24 Å²	24	26.6 Å²	26.6	15%	0.147	17%	0.167	C	C	.	.			trans	-78.8	-172.2	167.8	60.5	0	0	0	0	110.8	L368 Y373	L368-T380 HydrophobicContact CD2-CG2 4.04Å; Y373-T380 HydrophobicContact CD1-CG2 4.14Å; Y373-T380 HydrophobicContact CE1-CG2 3.96Å
381	L	82.8	Confident	81.1	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.143	C	C	.	.			trans	-55.7	140.1	174	-91.7	160.7	0	0	0	112.1	L368 Y372 E385 V386 M493 P495 W552	L368-L381 HydrophobicContact CD1-CB 4.06Å; L368-L381 HydrophobicContact CD1-CD1 3.34Å; L368-L381 HydrophobicContact CD1-CG 3.88Å; Y372-L381 HydrophobicContact CE1-CG 4.31Å; L381-E385 HydrophobicContact CD2-CB 3.44Å; L381-E385 VanDerWaalsContact CD2-CB 3.44Å; L381-E385 HydrophobicContact CD2-CG 4.42Å; L381-V386 HydrophobicContact CB-CG2 4.42Å; L381-V386 HydrophobicContact CD2-CG2 4.43Å; L381-M493 HydrophobicContact CD1-CB 4.18Å; L381-M493 HydrophobicContact CD1-CG 3.99Å; L381-M493 WeakPolarHBondContact CD1-O 3.32Å; L381-M493 HydrophobicContact CD1-SD 4.49Å; L381-P495 HydrophobicContact CD2-CG 3.81Å; L381-W552 HydrophobicContact CB-CB 4.08Å; L381-W552 HydrophobicContact CB-CG 4.03Å; L381-W552 WeakPolarHBondContact O-CB 3.28Å; L381-W552 PolarHBondContact O-N 3.21Å
382	T	84.4	Confident	82	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-90.6	157.4	165.1	57.2	0	0	0	0	110	R379 G384 E385 V386 T546 S549 T550 T559	R379-T382 VanDerWaalsContact CZ-CG2 3.41Å; T382-G384 PolarHBondContact O-N 3.43Å; T382-E385 PolarHBondContact N-OE2 3.43Å; T382-E385 PolarHBondContact O-N 3.38Å; T382-E385 VanDerWaalsContact OG1-CG 3.22Å; T382-E385 WeakPolarHBondContact OG1-CG 3.4Å; T382-E385 PolarHBondContact OG1-N 2.95Å; T382-E385 PolarHBondContact OG1-OE2 3.44Å; T382-V386 PolarHBondContact O-N 3.41Å; T382-V386 VanDerWaalsContact O-N 3.09Å; T382-T546 PolarHBondContact OG1-O 3.45Å; T382-S549 VanDerWaalsContact CB-OG 3.31Å; T382-S549 WeakPolarHBondContact CB-OG 3.3Å; T382-T550 WeakPolarHBondContact CA-O 3.23Å; T382-T559 HydrophobicContact CG2-CG2 4.28Å
383	K	85.6	Confident	82.7	Confident	10 Å²	10	22.2 Å²	22.2	4%	0.043	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-34.5	175.7	-65.9	-172.4	-179.5	176.7	0	112.6	G353 L356 I361 V386 G387 T550 D555	G353-K383 WeakPolarHBondContact CA-O 3.46Å; G353-K383 VanDerWaalsContact O-CB 3.29Å; G353-K383 WeakPolarHBondContact O-CB 3.25Å; G353-K383 WeakPolarHBondContact O-CD 3.42Å; L356-K383 VanDerWaalsContact O-CD 3.31Å; L356-K383 WeakPolarHBondContact O-CD 3.31Å; L356-K383 WeakPolarHBondContact O-CE 3.39Å; L356-K383 PolarHBondContact O-NZ 2.71Å; I361-K383 HydrophobicContact CD1-CG 4.29Å; K383-V386 WeakPolarHBondContact O-CB 3.44Å; K383-V386 PolarHBondContact O-N 3.44Å; K383-G387 PolarHBondContact O-N 3.34Å; K383-T550 VanDerWaalsContact CD-OG1 3.27Å; K383-T550 WeakPolarHBondContact CD-OG1 3.39Å; K383-T550 WeakPolarHBondContact CE-OG1 3.43Å; K383-T550 PolarHBondContact N-O 3.32Å; K383-D555 WeakPolarHBondContact CE-OD1 3.3Å; K383-D555 IonicContact NZ-OD1 3.75Å; K383-D555 PolarHBondContact NZ-OD1 2.94Å
384	G	86.6	Confident	83.7	Confident	6 Å²	6	20.4 Å²	20.4	6%	0.062	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-41.6	175.4	0	0	0	0	0	112.3	T382 G387 C388 S549	T382-G384 PolarHBondContact O-N 3.43Å; G384-G387 PolarHBondContact O-N 2.88Å; G384-C388 WeakPolarHBondContact O-CB 3.46Å; G384-C388 PolarHBondContact O-N 3.21Å; G384-S549 WeakPolarHBondContact CA-OG 3.5Å; G384-S549 PolarHBondContact N-OG 2.82Å
385	E	90.1	Very high	85.2	Confident	12 Å²	12	20.3 Å²	20.3	6%	0.056	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-37.7	172.3	-72.3	161.2	155.7	0	0	112.4	R379 L381 T382 C388 F389 P495	R379-E385 IonicContact CZ-OE1 2.8Å; R379-E385 IonicContact CZ-OE2 2.64Å; R379-E385 VanDerWaalsContact NH1-CD 3.34Å; R379-E385 IonicContact NH1-OE1 3.94Å; R379-E385 PolarHBondContact NH1-OE1 3.2Å; R379-E385 IonicContact NH1-OE2 3.88Å; R379-E385 PolarHBondContact NH1-OE2 3.32Å; R379-E385 IonicContact NH2-OE1 2.67Å; R379-E385 PolarHBondContact NH2-OE1 2.79Å; R379-E385 IonicContact NH2-OE2 3.02Å; L381-E385 HydrophobicContact CD2-CB 3.44Å; L381-E385 VanDerWaalsContact CD2-CB 3.44Å; L381-E385 HydrophobicContact CD2-CG 4.42Å; T382-E385 PolarHBondContact N-OE2 3.43Å; T382-E385 PolarHBondContact O-N 3.38Å; T382-E385 VanDerWaalsContact OG1-CG 3.22Å; T382-E385 WeakPolarHBondContact OG1-CG 3.4Å; T382-E385 PolarHBondContact OG1-N 2.95Å; T382-E385 PolarHBondContact OG1-OE2 3.44Å; E385-C388 PolarHBondContact O-N 3.06Å; E385-F389 WeakPolarHBondContact O-CB 3.24Å; E385-F389 PolarHBondContact O-N 2.93Å; E385-P495 HydrophobicContact CG-CG 4.36Å
386	V	91.5	Very high	87.1	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-47.9	172.4	173.9	0	0	0	0	110.7	L356 I361 V366 L381 T382 K383 C388 F389 L390 M493 W552	L356-V386 HydrophobicContact CD1-CG1 4.45Å; I361-V386 HydrophobicContact CG1-CG1 4.48Å; V366-V386 HydrophobicContact CG1-CG1 4.26Å; L381-V386 HydrophobicContact CB-CG2 4.42Å; L381-V386 HydrophobicContact CD2-CG2 4.43Å; T382-V386 PolarHBondContact O-N 3.41Å; T382-V386 VanDerWaalsContact O-N 3.09Å; K383-V386 WeakPolarHBondContact O-CB 3.44Å; K383-V386 PolarHBondContact O-N 3.44Å; V386-C388 PolarHBondContact O-N 2.98Å; V386-F389 PolarHBondContact O-N 3.09Å; V386-L390 HydrophobicContact CG1-CD1 3.81Å; V386-L390 HydrophobicContact CG1-CG 4.34Å; V386-L390 WeakPolarHBondContact O-CB 3.29Å; V386-L390 VanDerWaalsContact O-CG 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.49Å; V386-L390 PolarHBondContact O-N 3.4Å; V386-M493 HydrophobicContact CB-SD 4.26Å; V386-M493 HydrophobicContact CG1-SD 4.07Å; V386-M493 HydrophobicContact CG2-SD 4.05Å; V386-W552 HydrophobicContact CG2-CB 4.07Å
387	G	94.2	Very high	89	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-41.1	177.3	0	0	0	0	0	113	I351 K383 G384 S391	I351-G387 CarbonylContact O-C 3.52Å; I351-G387 VanDerWaalsContact O-CA 3.27Å; I351-G387 WeakPolarHBondContact O-CA 3.45Å; K383-G387 PolarHBondContact O-N 3.34Å; G384-G387 PolarHBondContact O-N 2.88Å; G387-S391 WeakPolarHBondContact O-CB 3.13Å; G387-S391 PolarHBondContact O-N 3.42Å; G387-S391 PolarHBondContact O-OG 2.8Å
388	C	94.6	Very high	90.9	Very high	26 Å²	26	20.8 Å²	20.8	18%	0.176	11%	0.11	C	C	.	.	H	α-helix	trans	-60.4	-51.6	173.4	-177.9	0	0	0	0	111.2	G384 E385 V386 L390 S391 H392 T546	G384-C388 WeakPolarHBondContact O-CB 3.46Å; G384-C388 PolarHBondContact O-N 3.21Å; E385-C388 PolarHBondContact O-N 3.06Å; V386-C388 PolarHBondContact O-N 2.98Å; C388-L390 PolarHBondContact O-N 2.92Å; C388-S391 WeakPolarHBondContact O-CB 3.23Å; C388-S391 PolarHBondContact O-N 3.25Å; C388-S391 VanDerWaalsContact O-N 3.17Å; C388-H392 PolarHBondContact O-CD2 3.19Å; C388-H392 VanDerWaalsContact O-CD2 3.3Å; C388-H392 PolarHBondContact O-N 2.85Å; C388-T546 HydrophobicContact CB-CG2 3.84Å
389	F	96.6	Very high	92.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.6	-49.7	178.6	-165.6	-71.4	0	0	0	111.8	E385 V386 S391 H392 Y393 W396 P489 L490 M493 L494 V496 F499	E385-F389 WeakPolarHBondContact O-CB 3.24Å; E385-F389 PolarHBondContact O-N 2.93Å; V386-F389 PolarHBondContact O-N 3.09Å; F389-S391 VanDerWaalsContact C-N 3.27Å; F389-S391 PolarHBondContact O-N 2.84Å; F389-H392 PolarHBondContact O-N 3.02Å; F389-Y393 WeakPolarHBondContact O-CB 3.45Å; F389-Y393 PolarHBondContact O-N 2.96Å; F389-W396 HydrophobicContact CE1-CH2 4.42Å; F389-W396 HydrophobicContact CE1-CZ3 4.09Å; F389-W396 HydrophobicContact CZ-CH2 4.16Å; F389-W396 HydrophobicContact CZ-CZ3 4.07Å; F389-P489 HydrophobicContact CE1-CB 3.82Å; F389-P489 HydrophobicContact CE1-CG 4.04Å; F389-P489 HydrophobicContact CZ-CB 3.51Å; F389-P489 HydrophobicContact CZ-CG 4.1Å; F389-L490 HydrophobicContact CE1-CD2 4.49Å; F389-M493 HydrophobicContact CB-CE 4.26Å; F389-M493 HydrophobicContact CB-SD 4Å; F389-M493 HydrophobicContact CD1-CE 3.7Å; F389-M493 HydrophobicContact CD1-CG 4.43Å; F389-M493 HydrophobicContact CD1-SD 4.36Å; F389-M493 HydrophobicContact CD2-CG 4.13Å; F389-M493 HydrophobicContact CE1-CE 4.38Å; F389-M493 HydrophobicContact CG-CE 4.04Å; F389-M493 HydrophobicContact CG-CG 4.09Å; F389-M493 HydrophobicContact CG-SD 4.09Å; F389-L494 WeakPolarHBondContact CD2-O 3.48Å; F389-L494 WeakPolarHBondContact CE2-O 3.44Å; F389-V496 HydrophobicContact CD2-CB 3.76Å; F389-V496 HydrophobicContact CD2-CG2 4.37Å; F389-V496 HydrophobicContact CE2-CB 4.24Å; F389-V496 HydrophobicContact CE2-CG2 4.48Å; F389-V496 HydrophobicContact CG-CB 4.4Å; F389-F499 HydrophobicContact CE2-CB 3.75Å; F389-F499 AromaticContact CE2-CD1 3.74Å; F389-F499 HydrophobicContact CE2-CD1 3.74Å; F389-F499 AromaticContact CE2-CG 3.8Å; F389-F499 HydrophobicContact CE2-CG 3.8Å; F389-F499 HydrophobicContact CZ-CB 4.44Å; F389-F499 AromaticContact CZ-CD1 3.65Å; F389-F499 HydrophobicContact CZ-CD1 3.65Å; F389-F499 HydrophobicContact CZ-CE1 4.01Å; F389-F499 AromaticContact CZ-CG 3.99Å; F389-F499 HydrophobicContact CZ-CG 3.99Å
390	L	96.9	Very high	93.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-37.1	-179.1	-70.2	170.1	0	0	0	111.8	I351 L356 L364 V366 V386 C388 H392 Y393 Y394 L490 M493	I351-L390 HydrophobicContact CD1-CB 3.46Å; I351-L390 VanDerWaalsContact CD1-CB 3.46Å; I351-L390 HydrophobicContact CD1-CD1 4.37Å; I351-L390 HydrophobicContact CG2-CD1 4.32Å; L356-L390 HydrophobicContact CD1-CD1 4.23Å; L364-L390 HydrophobicContact CD1-CD1 3.82Å; V366-L390 HydrophobicContact CG2-CD2 4.04Å; V386-L390 HydrophobicContact CG1-CD1 3.81Å; V386-L390 HydrophobicContact CG1-CG 4.34Å; V386-L390 WeakPolarHBondContact O-CB 3.29Å; V386-L390 VanDerWaalsContact O-CG 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.49Å; V386-L390 PolarHBondContact O-N 3.4Å; C388-L390 PolarHBondContact O-N 2.92Å; L390-H392 VanDerWaalsContact C-N 3.35Å; L390-H392 PolarHBondContact O-N 3.21Å; L390-Y393 PolarHBondContact O-N 3.04Å; L390-Y394 HydrophobicContact CB-CE2 4.38Å; L390-Y394 WeakPolarHBondContact O-CD2 3.32Å; L390-Y394 PolarHBondContact O-N 3.29Å; L390-L490 HydrophobicContact CD2-CD2 3.73Å; L390-M493 HydrophobicContact CD2-CE 4.13Å; L390-M493 HydrophobicContact CG-CE 4.31Å
391	S	97.6	Very high	94.6	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-42.8	177.3	-57.2	0	0	0	0	111.8	A350 I351 G387 C388 F389	A350-S391 WeakPolarHBondContact CA-OG 3.27Å; I351-S391 PolarHBondContact N-OG 3.47Å; G387-S391 WeakPolarHBondContact O-CB 3.13Å; G387-S391 PolarHBondContact O-N 3.42Å; G387-S391 PolarHBondContact O-OG 2.8Å; C388-S391 WeakPolarHBondContact O-CB 3.23Å; C388-S391 PolarHBondContact O-N 3.25Å; C388-S391 VanDerWaalsContact O-N 3.17Å; F389-S391 VanDerWaalsContact C-N 3.27Å; F389-S391 PolarHBondContact O-N 2.84Å
392	H	98.4	Very high	95.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.7	-42.2	173.2	-72.5	-78.3	0	0	0	112.5	I322 C388 F389 L390 Y394 I395 W396 E411 Y474 V496	I322-H392 WeakPolarHBondContact CD1-CE1 3.47Å; I322-H392 WeakPolarHBondContact CD1-ND1 3.49Å; C388-H392 PolarHBondContact O-CD2 3.19Å; C388-H392 VanDerWaalsContact O-CD2 3.3Å; C388-H392 PolarHBondContact O-N 2.85Å; F389-H392 PolarHBondContact O-N 3.02Å; L390-H392 VanDerWaalsContact C-N 3.35Å; L390-H392 PolarHBondContact O-N 3.21Å; H392-Y394 VanDerWaalsContact C-N 3.32Å; H392-Y394 PolarHBondContact O-N 2.88Å; H392-I395 WeakPolarHBondContact O-CB 3.39Å; H392-I395 PolarHBondContact O-N 2.83Å; H392-I395 VanDerWaalsContact O-N 3.09Å; H392-W396 HydrophobicContact CB-CH2 4.35Å; H392-W396 HydrophobicContact CB-CZ2 3.77Å; H392-W396 PolarHBondContact O-N 2.8Å; H392-E411 IonicContact NE2-OE1 3.45Å; H392-Y474 AromaticContact CE1-CE1 3.71Å; H392-Y474 AromaticContact ND1-CE1 3.7Å; H392-Y474 AromaticContact ND1-CZ 3.68Å; H392-Y474 PolarHBondContact ND1-OH 3.17Å; H392-V496 HydrophobicContact CB-CG2 4.33Å
393	Y	98.4	Very high	96	Very high	42 Å²	42	34.8 Å²	34.8	17%	0.165	17%	0.168	C	C	.	.	H	α-helix	trans	-55.8	-45.1	179.2	173	-90.9	0	0	0	112.4	F389 L390 I395 W396 K397 L485 P489 L490	F389-Y393 WeakPolarHBondContact O-CB 3.45Å; F389-Y393 PolarHBondContact O-N 2.96Å; L390-Y393 PolarHBondContact O-N 3.04Å; Y393-I395 VanDerWaalsContact C-N 3.31Å; Y393-I395 PolarHBondContact O-N 3.2Å; Y393-W396 HydrophobicContact CD2-CE3 4.37Å; Y393-W396 PolarHBondContact O-N 2.97Å; Y393-K397 PolarHBondContact O-N 2.81Å; Y393-L485 HydrophobicContact CD2-CD2 3.7Å; Y393-L485 HydrophobicContact CE2-CD2 3.32Å; Y393-P489 HydrophobicContact CD2-CG 4.04Å; Y393-P489 HydrophobicContact CE2-CG 4.18Å; Y393-L490 HydrophobicContact CD1-CD1 4.41Å; Y393-L490 HydrophobicContact CD1-CD2 4.39Å; Y393-L490 HydrophobicContact CD2-CD2 4.05Å; Y393-L490 HydrophobicContact CD2-CG 4.27Å; Y393-L490 HydrophobicContact CE1-CD1 3.88Å; Y393-L490 HydrophobicContact CE1-CG 4.49Å; Y393-L490 HydrophobicContact CE2-CD1 4.13Å; Y393-L490 HydrophobicContact CE2-CD2 4.26Å; Y393-L490 HydrophobicContact CE2-CG 3.97Å; Y393-L490 HydrophobicContact CG-CD2 4.12Å
394	Y	98.3	Very high	96.6	Very high	96 Å²	96	35.2 Å²	35.2	38%	0.376	17%	0.17	S	C	.	.	H	α-helix	trans	-68.4	-30.1	178.7	-75.1	-61.9	0	0	0	113	I351 L390 H392 K397 E398	I351-Y394 HydrophobicContact CD1-CD2 3.54Å; I351-Y394 HydrophobicContact CD1-CE2 3.46Å; I351-Y394 VanDerWaalsContact CD1-CE2 3.46Å; L390-Y394 HydrophobicContact CB-CE2 4.38Å; L390-Y394 WeakPolarHBondContact O-CD2 3.32Å; L390-Y394 PolarHBondContact O-N 3.29Å; H392-Y394 VanDerWaalsContact C-N 3.32Å; H392-Y394 PolarHBondContact O-N 2.88Å; Y394-K397 PolarHBondContact O-N 3.22Å; Y394-E398 WeakPolarHBondContact O-CB 3.46Å; Y394-E398 PolarHBondContact O-N 2.73Å
395	I	98.6	Very high	97.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-67.3	-44.7	171.2	-68.7	165.2	0	0	0	110.5	Y320 I322 V348 H392 Y393 K397 E398 V399 I409	Y320-I395 HydrophobicContact CD1-CD1 4.48Å; Y320-I395 HydrophobicContact CD1-CG1 4.28Å; Y320-I395 HydrophobicContact CD2-CG2 3.72Å; Y320-I395 HydrophobicContact CE2-CG2 3.81Å; Y320-I395 HydrophobicContact CG-CD1 4.24Å; Y320-I395 HydrophobicContact CG-CG1 4.35Å; Y320-I395 HydrophobicContact CG-CG2 4.08Å; I322-I395 HydrophobicContact CD1-CD1 3.63Å; I322-I395 HydrophobicContact CG1-CD1 3.54Å; V348-I395 HydrophobicContact CG1-CD1 4.5Å; V348-I395 HydrophobicContact CG2-CD1 4.11Å; V348-I395 HydrophobicContact CG2-CG1 4.24Å; H392-I395 WeakPolarHBondContact O-CB 3.39Å; H392-I395 PolarHBondContact O-N 2.83Å; H392-I395 VanDerWaalsContact O-N 3.09Å; Y393-I395 VanDerWaalsContact C-N 3.31Å; Y393-I395 PolarHBondContact O-N 3.2Å; I395-K397 VanDerWaalsContact C-N 3.27Å; I395-K397 PolarHBondContact O-N 3.01Å; I395-E398 PolarHBondContact O-N 3.36Å; I395-E398 VanDerWaalsContact O-N 3.13Å; I395-V399 HydrophobicContact CG2-CG2 4.39Å; I395-V399 WeakPolarHBondContact O-CG2 3.46Å; I395-V399 PolarHBondContact O-N 2.8Å; I395-I409 HydrophobicContact CD1-CG2 4.46Å; I395-I409 HydrophobicContact CG2-CD1 4.46Å; I395-I409 HydrophobicContact CG2-CG1 4.01Å
396	W	98.8	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-41.7	176.2	-54	-25.9	0	0	0	111.6	F389 H392 Y393 V399 V400 Y474 I476 A481 L484 L485 V496 F499 L500	F389-W396 HydrophobicContact CE1-CH2 4.42Å; F389-W396 HydrophobicContact CE1-CZ3 4.09Å; F389-W396 HydrophobicContact CZ-CH2 4.16Å; F389-W396 HydrophobicContact CZ-CZ3 4.07Å; H392-W396 HydrophobicContact CB-CH2 4.35Å; H392-W396 HydrophobicContact CB-CZ2 3.77Å; H392-W396 PolarHBondContact O-N 2.8Å; Y393-W396 HydrophobicContact CD2-CE3 4.37Å; Y393-W396 PolarHBondContact O-N 2.97Å; W396-V399 PolarHBondContact O-N 3.18Å; W396-V400 PolarHBondContact O-N 2.92Å; W396-V400 VanDerWaalsContact O-N 3.13Å; W396-Y474 AromaticContact NE1-CZ 3.93Å; W396-Y474 PolarHBondContact NE1-OH 2.85Å; W396-I476 HydrophobicContact CG-CD1 4.33Å; W396-A481 HydrophobicContact CB-CB 4.08Å; W396-L484 HydrophobicContact CD2-CB 4.29Å; W396-L484 HydrophobicContact CD2-CD1 3.82Å; W396-L484 HydrophobicContact CE3-CB 3.92Å; W396-L484 HydrophobicContact CE3-CD1 4.13Å; W396-L484 HydrophobicContact CG-CD1 4.4Å; W396-L484 HydrophobicContact CH2-CD1 4.09Å; W396-L484 HydrophobicContact CZ2-CD1 3.75Å; W396-L484 HydrophobicContact CZ3-CB 4.17Å; W396-L484 HydrophobicContact CZ3-CD1 4.27Å; W396-L485 HydrophobicContact CB-CD2 4.2Å; W396-L485 HydrophobicContact CB-CG 4.25Å; W396-V496 HydrophobicContact CH2-CG2 3.94Å; W396-V496 HydrophobicContact CZ2-CG2 3.99Å; W396-F499 AromaticContact CH2-CD1 4Å; W396-F499 HydrophobicContact CH2-CD1 4Å; W396-F499 AromaticContact CH2-CE1 3.86Å; W396-F499 HydrophobicContact CH2-CE1 3.86Å; W396-F499 HydrophobicContact CZ3-CD1 4.37Å; W396-F499 AromaticContact CZ3-CE1 3.85Å; W396-F499 HydrophobicContact CZ3-CE1 3.85Å; W396-L500 HydrophobicContact CH2-CD2 4.43Å; W396-L500 HydrophobicContact CZ2-CD2 4.16Å
397	K	98.6	Very high	97.9	Very high	86 Å²	86	42 Å²	42	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-46.2	174	-179	171.3	-179.6	168.6	0	111.4	Y393 Y394 I395 V400 D401 L485	Y393-K397 PolarHBondContact O-N 2.81Å; Y394-K397 PolarHBondContact O-N 3.22Å; I395-K397 VanDerWaalsContact C-N 3.27Å; I395-K397 PolarHBondContact O-N 3.01Å; K397-V400 PolarHBondContact O-N 3.16Å; K397-D401 WeakPolarHBondContact CE-OD2 3.41Å; K397-D401 VanDerWaalsContact CG-OD2 3.31Å; K397-D401 WeakPolarHBondContact CG-OD2 3.35Å; K397-D401 VanDerWaalsContact O-CB 3.29Å; K397-D401 WeakPolarHBondContact O-CB 3.25Å; K397-D401 VanDerWaalsContact O-CG 3.23Å; K397-D401 PolarHBondContact O-N 3.28Å; K397-L485 HydrophobicContact CB-CD1 4.45Å; K397-L485 HydrophobicContact CB-CD2 4.43Å
398	E	98.6	Very high	98.1	Very high	45 Å²	45	42 Å²	42	21%	0.21	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-44.7	177.7	-169.2	178.5	145.2	0	0	112.2	Y320 K346 Y394 I395 V400 D401 M402	Y320-E398 PolarHBondContact OH-OE1 2.58Å; Y320-E398 VanDerWaalsContact OH-OE1 3.08Å; K346-E398 IonicContact NZ-OE1 3.38Å; K346-E398 PolarHBondContact NZ-OE1 3.3Å; K346-E398 IonicContact NZ-OE2 3.51Å; K346-E398 PolarHBondContact NZ-OE2 3.27Å; Y394-E398 WeakPolarHBondContact O-CB 3.46Å; Y394-E398 PolarHBondContact O-N 2.73Å; I395-E398 PolarHBondContact O-N 3.36Å; I395-E398 VanDerWaalsContact O-N 3.13Å; E398-V400 VanDerWaalsContact C-N 3.27Å; E398-V400 PolarHBondContact O-N 2.7Å; E398-D401 PolarHBondContact O-N 2.96Å; E398-M402 HydrophobicContact CG-CG 3.95Å; E398-M402 HydrophobicContact CG-SD 3.63Å; E398-M402 VanDerWaalsContact O-CB 3.29Å; E398-M402 WeakPolarHBondContact O-CB 3.35Å; E398-M402 WeakPolarHBondContact O-CG 3.41Å; E398-M402 PolarHBondContact O-N 3.31Å
399	V	98.8	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.6	-44.3	175.9	165.7	0	0	0	0	111.2	Y320 I395 W396 Q403 M404 A407 A481	Y320-V399 HydrophobicContact CE2-CG2 4.39Å; I395-V399 HydrophobicContact CG2-CG2 4.39Å; I395-V399 WeakPolarHBondContact O-CG2 3.46Å; I395-V399 PolarHBondContact O-N 2.8Å; W396-V399 PolarHBondContact O-N 3.18Å; V399-Q403 PolarHBondContact O-N 3.31Å; V399-M404 HydrophobicContact CG1-CB 4.22Å; V399-M404 HydrophobicContact CG2-SD 4.09Å; V399-M404 PolarHBondContact O-N 3.22Å; V399-A407 HydrophobicContact CG2-CB 3.71Å; V399-A481 HydrophobicContact CB-CB 4.2Å; V399-A481 HydrophobicContact CG1-CB 3.82Å
400	V	98.8	Very high	98.4	Very high	22 Å²	22	40.7 Å²	40.7	13%	0.133	19%	0.194	C	C	.	.	H	α-helix	trans	-71	-50.6	177.6	170	0	0	0	0	111.7	W396 K397 E398 M402 Q403 A481 Q482 L485	W396-V400 PolarHBondContact O-N 2.92Å; W396-V400 VanDerWaalsContact O-N 3.13Å; K397-V400 PolarHBondContact O-N 3.16Å; E398-V400 VanDerWaalsContact C-N 3.27Å; E398-V400 PolarHBondContact O-N 2.7Å; V400-M402 VanDerWaalsContact C-N 3.3Å; V400-M402 PolarHBondContact O-N 3.14Å; V400-Q403 PolarHBondContact O-N 3.37Å; V400-Q403 VanDerWaalsContact O-N 3.08Å; V400-A481 HydrophobicContact CG2-CB 3.88Å; V400-Q482 HydrophobicContact CG2-CB 4.09Å; V400-L485 HydrophobicContact CB-CD1 4.16Å; V400-L485 HydrophobicContact CG2-CD1 3.83Å
401	D	98.5	Very high	98.4	Very high	107 Å²	107	42.1 Å²	42.1	57%	0.572	20%	0.201	S	C	*	.	H	α-helix	trans	-63.1	-36	-175.3	-74.2	-12	0	0	0	111.8	K397 E398	K397-D401 WeakPolarHBondContact CE-OD2 3.41Å; K397-D401 VanDerWaalsContact CG-OD2 3.31Å; K397-D401 WeakPolarHBondContact CG-OD2 3.35Å; K397-D401 VanDerWaalsContact O-CB 3.29Å; K397-D401 WeakPolarHBondContact O-CB 3.25Å; K397-D401 VanDerWaalsContact O-CG 3.23Å; K397-D401 PolarHBondContact O-N 3.28Å; E398-D401 PolarHBondContact O-N 2.96Å
402	M	98.3	Very high	98.2	Very high	119 Å²	119	42.4 Å²	42.4	59%	0.586	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	0.3	177.9	-60.6	-165.3	77.1	0	0	113.6	E398 V400 M404	E398-M402 HydrophobicContact CG-CG 3.95Å; E398-M402 HydrophobicContact CG-SD 3.63Å; E398-M402 VanDerWaalsContact O-CB 3.29Å; E398-M402 WeakPolarHBondContact O-CB 3.35Å; E398-M402 WeakPolarHBondContact O-CG 3.41Å; E398-M402 PolarHBondContact O-N 3.31Å; V400-M402 VanDerWaalsContact C-N 3.3Å; V400-M402 PolarHBondContact O-N 3.14Å; M402-M404 VanDerWaalsContact C-N 3.32Å; M402-M404 HydrophobicContact CB-CE 3.92Å; M402-M404 HydrophobicContact CB-CG 4.18Å; M402-M404 HydrophobicContact CG-CE 4.33Å; M402-M404 PolarHBondContact O-N 3.49Å; M402-M404 HydrophobicContact SD-CE 3.69Å
403	Q	98	Very high	97.8	Very high	153 Å²	153	44.4 Å²	44.4	72%	0.715	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	42.8	-179.2	-50	-172.9	-68	0	0	114.1	V399 V400 Q478	V399-Q403 PolarHBondContact O-N 3.31Å; V400-Q403 PolarHBondContact O-N 3.37Å; V400-Q403 VanDerWaalsContact O-N 3.08Å; Q403-Q478 VanDerWaalsContact CA-NE2 3.34Å
404	M	98.4	Very high	97.7	Very high	18 Å²	18	42.4 Å²	42.4	9%	0.089	21%	0.205	C	C	.	.			trans	-74.5	132.9	175.8	-63.6	174	178.5	0	0	109.9	D317 E318 Y320 V399 M402 Q478	D317-M404 HydrophobicContact CB-CB 3.97Å; D317-M404 HydrophobicContact CB-CG 4.06Å; E318-M404 HydrophobicContact CB-CE 3.94Å; E318-M404 HydrophobicContact CB-SD 3.91Å; E318-M404 HydrophobicContact CG-CE 4.43Å; Y320-M404 HydrophobicContact CE2-SD 4.46Å; Y320-M404 VanDerWaalsContact OH-CE 3.28Å; Y320-M404 WeakPolarHBondContact OH-CE 3.44Å; Y320-M404 PolarHBondContact OH-SD 2.96Å; Y320-M404 VanDerWaalsContact OH-SD 3.35Å; V399-M404 HydrophobicContact CG1-CB 4.22Å; V399-M404 HydrophobicContact CG2-SD 4.09Å; V399-M404 PolarHBondContact O-N 3.22Å; M402-M404 VanDerWaalsContact C-N 3.32Å; M402-M404 HydrophobicContact CB-CE 3.92Å; M402-M404 HydrophobicContact CB-CG 4.18Å; M402-M404 HydrophobicContact CG-CE 4.33Å; M402-M404 PolarHBondContact O-N 3.49Å; M402-M404 HydrophobicContact SD-CE 3.69Å; M404-Q478 WeakPolarHBondContact O-CB 3.33Å; M404-Q478 WeakPolarHBondContact O-CG 3.45Å
405	D	98	Very high	97.4	Very high	116 Å²	116	40.3 Å²	40.3	62%	0.62	20%	0.196	S	C	*	.	S	Bend	trans	-67.5	-45.2	178.1	-71.7	-21.1	0	0	0	110.4	D317 S477 Q478	D317-D405 WeakPolarHBondContact OD2-CA 3.07Å; D317-D405 WeakPolarHBondContact OD2-CB 3.49Å; D317-D405 PolarHBondContact OD2-N 2.99Å; D405-S477 CarbonylContact O-C 3.23Å; D405-S477 WeakPolarHBondContact O-CA 3.4Å; D405-Q478 PolarHBondContact O-N 2.86Å
406	K	98.1	Very high	97.3	Very high	44 Å²	44	40.2 Å²	40.2	19%	0.191	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	142.3	179	60.7	-164.6	-178.6	-161	0	113.2	G315 F316 D317 M428 W438 I476	G315-K406 WeakPolarHBondContact O-CE 3.41Å; F316-K406 HydrophobicContact CD1-CB 4.21Å; F316-K406 HydrophobicContact CD1-CD 4.36Å; F316-K406 HydrophobicContact CD1-CG 3.84Å; F316-K406 HydrophobicContact CE1-CG 4.42Å; D317-K406 PolarHBondContact N-O 2.94Å; D317-K406 PolarHBondContact OD2-N 2.91Å; K406-M428 HydrophobicContact CD-CE 4.14Å; K406-W438 HydrophobicContact CB-CH2 4.03Å; K406-W438 HydrophobicContact CB-CZ2 4.14Å; K406-W438 HydrophobicContact CD-CZ2 4.25Å; K406-I476 VanDerWaalsContact CA-O 3.32Å; K406-I476 WeakPolarHBondContact CA-O 3.25Å
407	A	98.8	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.5	175.6	0	0	0	0	0	111.7	E318 Y320 V399 I409 A475 I476	E318-A407 WeakPolarHBondContact O-CA 3.48Å; Y320-A407 HydrophobicContact CD2-CB 4.15Å; Y320-A407 HydrophobicContact CE2-CB 3.81Å; V399-A407 HydrophobicContact CG2-CB 3.71Å; A407-I409 HydrophobicContact CB-CD1 4.4Å; A407-A475 CarbonylContact O-C 3.54Å; A407-A475 VanDerWaalsContact O-CA 3.28Å; A407-A475 WeakPolarHBondContact O-CA 3.39Å; A407-I476 HydrophobicContact CB-CG2 4.27Å; A407-I476 PolarHBondContact N-O 3.21Å; A407-I476 PolarHBondContact O-N 3.47Å
408	L	98.8	Very high	96.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.9	172.8	177.5	60.8	0	0	0	110.1	F316 E318 I319 Y320 F410 L443 A475	F316-L408 HydrophobicContact CD1-CB 3.98Å; F316-L408 HydrophobicContact CD2-CB 4.1Å; F316-L408 HydrophobicContact CD2-CD2 4.37Å; F316-L408 HydrophobicContact CE1-CB 4.06Å; F316-L408 HydrophobicContact CE2-CB 4.17Å; F316-L408 HydrophobicContact CE2-CD2 4.01Å; F316-L408 HydrophobicContact CG-CB 4.02Å; F316-L408 HydrophobicContact CZ-CB 4.15Å; F316-L408 HydrophobicContact CZ-CD2 4.39Å; E318-L408 PolarHBondContact O-N 3.06Å; E318-L408 VanDerWaalsContact O-N 3.16Å; I319-L408 CarbonylContact C-O 3.51Å; I319-L408 WeakPolarHBondContact CA-O 3.28Å; I319-L408 HydrophobicContact CD1-CD2 4.33Å; I319-L408 HydrophobicContact CG1-CB 4.17Å; I319-L408 HydrophobicContact CG2-CB 4.3Å; I319-L408 HydrophobicContact CG2-CD2 4.41Å; I319-L408 HydrophobicContact CG2-CG 4.37Å; Y320-L408 PolarHBondContact N-O 3.44Å; L408-F410 HydrophobicContact CD1-CZ 4.46Å; L408-F410 HydrophobicContact CD2-CE1 4.21Å; L408-F410 HydrophobicContact CD2-CE2 3.88Å; L408-F410 HydrophobicContact CD2-CZ 3.44Å; L408-F410 VanDerWaalsContact CD2-CZ 3.44Å; L408-F410 HydrophobicContact CG-CE1 4.34Å; L408-F410 HydrophobicContact CG-CE2 4.1Å; L408-F410 HydrophobicContact CG-CZ 3.86Å; L408-L443 HydrophobicContact CD1-CD1 4.03Å; L408-L443 HydrophobicContact CD1-CD2 3.85Å; L408-A475 HydrophobicContact CD1-CB 4.3Å
409	I	98.8	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.2	-176.5	-58.6	87.1	0	0	0	109.6	Y320 I322 I395 A407 S473 Y474 I476	Y320-I409 HydrophobicContact CD2-CG1 4.34Å; I322-I409 HydrophobicContact CD1-CG2 3.63Å; I322-I409 HydrophobicContact CG1-CG2 4.11Å; I395-I409 HydrophobicContact CD1-CG2 4.46Å; I395-I409 HydrophobicContact CG2-CD1 4.46Å; I395-I409 HydrophobicContact CG2-CG1 4.01Å; A407-I409 HydrophobicContact CB-CD1 4.4Å; I409-S473 WeakPolarHBondContact O-CA 3.33Å; I409-S473 WeakPolarHBondContact O-CB 3.15Å; I409-S473 PolarHBondContact O-OG 3.45Å; I409-Y474 HydrophobicContact CB-CE1 4.43Å; I409-Y474 HydrophobicContact CD1-CD2 4.15Å; I409-Y474 HydrophobicContact CD1-CE2 3.77Å; I409-Y474 HydrophobicContact CG1-CE2 4.42Å; I409-Y474 PolarHBondContact N-O 3.46Å; I409-Y474 PolarHBondContact O-N 3.35Å; I409-I476 HydrophobicContact CD1-CB 4.41Å; I409-I476 HydrophobicContact CD1-CG2 3.6Å
410	F	98.5	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.2	170	-59.6	-66.1	0	0	0	111.1	I319 Y320 L321 I322 M334 L338 L408 F416 F420 S473 V531	I319-F410 HydrophobicContact CG2-CD2 3.82Å; I319-F410 HydrophobicContact CG2-CE2 3.47Å; I319-F410 VanDerWaalsContact CG2-CE2 3.47Å; Y320-F410 PolarHBondContact O-N 3.15Å; L321-F410 HydrophobicContact CD1-CB 4.22Å; I322-F410 PolarHBondContact N-O 3.37Å; M334-F410 HydrophobicContact CE-CB 4.16Å; L338-F410 HydrophobicContact CD2-CD2 4.35Å; L338-F410 HydrophobicContact CD2-CE2 3.98Å; L408-F410 HydrophobicContact CD1-CZ 4.46Å; L408-F410 HydrophobicContact CD2-CE1 4.21Å; L408-F410 HydrophobicContact CD2-CE2 3.88Å; L408-F410 HydrophobicContact CD2-CZ 3.44Å; L408-F410 VanDerWaalsContact CD2-CZ 3.44Å; L408-F410 HydrophobicContact CG-CE1 4.34Å; L408-F410 HydrophobicContact CG-CE2 4.1Å; L408-F410 HydrophobicContact CG-CZ 3.86Å; F410-F416 HydrophobicContact CD1-CE1 4.03Å; F410-F416 HydrophobicContact CD1-CZ 4.36Å; F410-F416 AromaticContact CE1-CE1 3.56Å; F410-F416 HydrophobicContact CE1-CE1 3.56Å; F410-F416 HydrophobicContact CE1-CZ 4.26Å; F410-F416 HydrophobicContact CE2-CE1 4.47Å; F410-F416 AromaticContact CZ-CE1 3.8Å; F410-F416 HydrophobicContact CZ-CE1 3.8Å; F410-F416 HydrophobicContact CZ-CZ 4.41Å; F410-F420 HydrophobicContact CE1-CE1 4.49Å; F410-F420 HydrophobicContact CE1-CE2 4.42Å; F410-F420 AromaticContact CE1-CZ 3.76Å; F410-F420 HydrophobicContact CE1-CZ 3.76Å; F410-F420 AromaticContact CZ-CE1 3.96Å; F410-F420 HydrophobicContact CZ-CE1 3.96Å; F410-F420 AromaticContact CZ-CZ 3.59Å; F410-F420 HydrophobicContact CZ-CZ 3.59Å; F410-S473 WeakPolarHBondContact CD1-OG 3.48Å; F410-S473 VanDerWaalsContact CE1-OG 3.25Å; F410-S473 WeakPolarHBondContact CE1-OG 3.34Å; F410-V531 HydrophobicContact CE1-CG2 4.11Å
411	E	97.1	Very high	96.1	Very high	29 Å²	29	41.4 Å²	41.4	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	165	158.9	-67.8	178.9	179.2	0	0	110.8	H392 V414 T471 L472	H392-E411 IonicContact NE2-OE1 3.45Å; E411-V414 HydrophobicContact CB-CG1 4.28Å; E411-V414 WeakPolarHBondContact O-CG2 3.4Å; E411-T471 WeakPolarHBondContact OE1-CB 3.31Å; E411-T471 PolarHBondContact OE1-OG1 3.1Å; E411-L472 PolarHBondContact N-O 2.88Å
412	D	93.8	Very high	95.9	Very high	11 Å²	11	41 Å²	41	6%	0.059	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.3	-170.6	67.9	10.1	0	0	0	115.9	L321 I322 N323 R330 R333 M334	L321-D412 HydrophobicContact CD1-CB 4.35Å; I322-D412 WeakPolarHBondContact O-CB 3.4Å; I322-D412 PolarHBondContact O-N 3.09Å; N323-D412 HydrophobicContact CB-CB 3.96Å; N323-D412 PolarHBondContact ND2-OD2 3.46Å; R330-D412 HydrophobicContact CB-CB 3.94Å; R330-D412 VanDerWaalsContact CD-CG 3.42Å; R330-D412 WeakPolarHBondContact CD-OD1 3.21Å; R330-D412 IonicContact CZ-OD1 3.11Å; R330-D412 IonicContact NE-OD1 2.83Å; R330-D412 IonicContact NH1-OD1 3.66Å; R330-D412 PolarHBondContact NH1-OD1 3.09Å; R333-D412 PolarHBondContact NH2-O 3.14Å; M334-D412 VanDerWaalsContact CG-O 3.32Å; M334-D412 WeakPolarHBondContact CG-O 3.15Å
413	D	90.9	Very high	95.8	Very high	41 Å²	41	38.4 Å²	38.4	22%	0.219	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	29.4	-177.5	56.5	9.2	0	0	0	113.7	R330 C534	R330-D413 IonicContact CZ-OD2 2.67Å; R330-D413 IonicContact NH1-OD2 3.45Å; R330-D413 PolarHBondContact NH1-OD2 3.26Å; R330-D413 IonicContact NH2-OD2 3.58Å; D413-C534 VanDerWaalsContact C-SG 3.59Å; D413-C534 PolarHBondContact O-N 3.04Å; D413-C534 PolarHBondContact O-SG 3.09Å
414	V	94.6	Very high	95.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	158.7	179.3	-51.7	0	0	0	0	114.2	R333 M334 E411 F416 L472 V531 Q532 C534	R333-V414 VanDerWaalsContact CZ-O 3.29Å; R333-V414 PolarHBondContact NH1-O 2.83Å; R333-V414 PolarHBondContact NH2-O 2.83Å; M334-V414 HydrophobicContact CE-CG2 3.51Å; M334-V414 HydrophobicContact SD-CG2 3.84Å; E411-V414 HydrophobicContact CB-CG1 4.28Å; E411-V414 WeakPolarHBondContact O-CG2 3.4Å; V414-F416 HydrophobicContact CG2-CZ 4.41Å; V414-L472 HydrophobicContact CG1-CB 3.75Å; V414-L472 HydrophobicContact CG1-CD2 4.23Å; V414-L472 HydrophobicContact CG1-CG 4.5Å; V414-L472 WeakPolarHBondContact CG1-O 3.29Å; V414-V531 HydrophobicContact CB-CG1 3.42Å; V414-V531 VanDerWaalsContact CB-CG1 3.42Å; V414-V531 HydrophobicContact CG1-CG1 3.81Å; V414-V531 HydrophobicContact CG2-CG1 3.76Å; V414-Q532 CarbonylContact C-O 3.47Å; V414-Q532 WeakPolarHBondContact CA-O 3.49Å; V414-C534 VanDerWaalsContact C-SG 3.5Å; V414-C534 PolarHBondContact O-SG 3.35Å; V414-C534 VanDerWaalsContact O-SG 3.34Å
415	R	93.9	Very high	95.7	Very high	52 Å²	52	33.9 Å²	33.9	20%	0.196	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.8	168.5	70.9	177.7	-179	-145.6	-5.2	110.6	I293 V531 Q532 C534	I293-R415 HydrophobicContact CD1-CB 4.02Å; I293-R415 HydrophobicContact CD1-CG 4.34Å; R415-V531 WeakPolarHBondContact O-CA 3.25Å; R415-Q532 HydrophobicContact CG-CB 3.84Å; R415-Q532 PolarHBondContact N-O 3.04Å; R415-Q532 PolarHBondContact O-N 3.31Å; R415-C534 PolarHBondContact NH1-O 3.46Å
416	F	95.8	Very high	95.6	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135	-172.9	-59.2	-86.5	0	0	0	112.3	H286 L289 M334 L338 L341 F410 V414 F420 V531	H286-F416 PolarHBondContact ND1-O 3.34Å; L289-F416 HydrophobicContact CD1-CB 4Å; L289-F416 HydrophobicContact CD1-CD2 4.26Å; M334-F416 HydrophobicContact CE-CE2 3.93Å; M334-F416 HydrophobicContact CE-CZ 3.74Å; M334-F416 HydrophobicContact SD-CE2 4.17Å; L338-F416 HydrophobicContact CD2-CE1 4.36Å; L338-F416 HydrophobicContact CD2-CE2 4.4Å; L338-F416 HydrophobicContact CD2-CZ 3.72Å; L338-F416 HydrophobicContact CG-CZ 4.31Å; L341-F416 HydrophobicContact CD1-CB 4Å; L341-F416 HydrophobicContact CD1-CD1 3.81Å; L341-F416 HydrophobicContact CD1-CD2 3.57Å; L341-F416 HydrophobicContact CD1-CE1 4.12Å; L341-F416 HydrophobicContact CD1-CE2 3.91Å; L341-F416 HydrophobicContact CD1-CG 3.51Å; L341-F416 HydrophobicContact CD1-CZ 4.16Å; F410-F416 HydrophobicContact CD1-CE1 4.03Å; F410-F416 HydrophobicContact CD1-CZ 4.36Å; F410-F416 AromaticContact CE1-CE1 3.56Å; F410-F416 HydrophobicContact CE1-CE1 3.56Å; F410-F416 HydrophobicContact CE1-CZ 4.26Å; F410-F416 HydrophobicContact CE2-CE1 4.47Å; F410-F416 AromaticContact CZ-CE1 3.8Å; F410-F416 HydrophobicContact CZ-CE1 3.8Å; F410-F416 HydrophobicContact CZ-CZ 4.41Å; V414-F416 HydrophobicContact CG2-CZ 4.41Å; F416-F420 HydrophobicContact CB-CB 4.19Å; F416-F420 HydrophobicContact CB-CD2 4.47Å; F416-F420 HydrophobicContact CB-CG 4.28Å; F416-F420 AromaticContact CD1-CD1 3.84Å; F416-F420 HydrophobicContact CD1-CD1 3.84Å; F416-F420 AromaticContact CD1-CD2 3.7Å; F416-F420 HydrophobicContact CD1-CD2 3.7Å; F416-F420 AromaticContact CD1-CE1 3.96Å; F416-F420 HydrophobicContact CD1-CE1 3.96Å; F416-F420 AromaticContact CD1-CE2 3.83Å; F416-F420 HydrophobicContact CD1-CE2 3.83Å; F416-F420 AromaticContact CD1-CG 3.73Å; F416-F420 HydrophobicContact CD1-CG 3.73Å; F416-F420 AromaticContact CD1-CZ 3.96Å; F416-F420 HydrophobicContact CD1-CZ 3.96Å; F416-F420 HydrophobicContact CE1-CD1 4.29Å; F416-F420 AromaticContact CE1-CE1 4Å; F416-F420 HydrophobicContact CE1-CE1 4Å; F416-F420 HydrophobicContact CE1-CE2 4.25Å; F416-F420 AromaticContact CE1-CZ 3.99Å; F416-F420 HydrophobicContact CE1-CZ 3.99Å; F416-F420 HydrophobicContact CG-CG 4.42Å; F416-V531 HydrophobicContact CD1-CG2 4.18Å; F416-V531 HydrophobicContact CE1-CG2 4.4Å
417	E	93.4	Very high	95.6	Very high	59 Å²	59	34.3 Å²	34.3	28%	0.276	15%	0.154	S	C	.	.			trans	-72.1	158.8	174.7	-70	-66.2	154.7	0	0	112.3	N419 F420 L529 L530 Q532	E417-N419 PolarHBondContact O-N 2.84Å; E417-F420 WeakPolarHBondContact O-CB 3.17Å; E417-F420 PolarHBondContact O-N 2.85Å; E417-F420 VanDerWaalsContact O-N 3.13Å; E417-L529 WeakPolarHBondContact CG-O 3.18Å; E417-L530 WeakPolarHBondContact CB-O 3.05Å; E417-L530 PolarHBondContact N-O 3.32Å; E417-Q532 HydrophobicContact CG-CG 4.47Å; E417-Q532 VanDerWaalsContact OE1-CG 3.23Å; E417-Q532 WeakPolarHBondContact OE1-CG 3.18Å
418	A	90.9	Very high	95.5	Very high	27 Å²	27	35 Å²	35	22%	0.223	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	140.2	177.6	0	0	0	0	0	112	H286 F420 R423	H286-A418 HydrophobicContact CB-CB 4.37Å; A418-F420 PolarHBondContact O-N 2.85Å; A418-R423 WeakPolarHBondContact O-CD 3.49Å
419	N	91.4	Very high	95.4	Very high	55 Å²	55	40.2 Å²	40.2	29%	0.294	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	25.7	-176.6	-61.2	-71.5	0	0	0	114.8	E417 K421 R422 R423	E417-N419 PolarHBondContact O-N 2.84Å; N419-K421 PolarHBondContact O-N 3.04Å; N419-R422 PolarHBondContact O-N 3.02Å; N419-R423 HydrophobicContact CB-CG 4.17Å; N419-R423 VanDerWaalsContact O-CG 3.31Å; N419-R423 WeakPolarHBondContact O-CG 3.38Å; N419-R423 PolarHBondContact O-N 3.12Å
420	F	95.7	Very high	95.3	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-39.6	-64.2	-178.8	176.9	-101	0	0	0	114	L341 F410 F416 E417 A418 R422 R423 V424 L443 L530 V531	L341-F420 HydrophobicContact CD1-CD1 4.1Å; L341-F420 HydrophobicContact CD2-CB 4.27Å; F410-F420 HydrophobicContact CE1-CE1 4.49Å; F410-F420 HydrophobicContact CE1-CE2 4.42Å; F410-F420 AromaticContact CE1-CZ 3.76Å; F410-F420 HydrophobicContact CE1-CZ 3.76Å; F410-F420 AromaticContact CZ-CE1 3.96Å; F410-F420 HydrophobicContact CZ-CE1 3.96Å; F410-F420 AromaticContact CZ-CZ 3.59Å; F410-F420 HydrophobicContact CZ-CZ 3.59Å; F416-F420 HydrophobicContact CB-CB 4.19Å; F416-F420 HydrophobicContact CB-CD2 4.47Å; F416-F420 HydrophobicContact CB-CG 4.28Å; F416-F420 AromaticContact CD1-CD1 3.84Å; F416-F420 HydrophobicContact CD1-CD1 3.84Å; F416-F420 AromaticContact CD1-CD2 3.7Å; F416-F420 HydrophobicContact CD1-CD2 3.7Å; F416-F420 AromaticContact CD1-CE1 3.96Å; F416-F420 HydrophobicContact CD1-CE1 3.96Å; F416-F420 AromaticContact CD1-CE2 3.83Å; F416-F420 HydrophobicContact CD1-CE2 3.83Å; F416-F420 AromaticContact CD1-CG 3.73Å; F416-F420 HydrophobicContact CD1-CG 3.73Å; F416-F420 AromaticContact CD1-CZ 3.96Å; F416-F420 HydrophobicContact CD1-CZ 3.96Å; F416-F420 HydrophobicContact CE1-CD1 4.29Å; F416-F420 AromaticContact CE1-CE1 4Å; F416-F420 HydrophobicContact CE1-CE1 4Å; F416-F420 HydrophobicContact CE1-CE2 4.25Å; F416-F420 AromaticContact CE1-CZ 3.99Å; F416-F420 HydrophobicContact CE1-CZ 3.99Å; F416-F420 HydrophobicContact CG-CG 4.42Å; E417-F420 WeakPolarHBondContact O-CB 3.17Å; E417-F420 PolarHBondContact O-N 2.85Å; E417-F420 VanDerWaalsContact O-N 3.13Å; A418-F420 PolarHBondContact O-N 2.85Å; F420-R422 PolarHBondContact O-N 2.82Å; F420-R423 PolarHBondContact O-N 2.82Å; F420-V424 HydrophobicContact CD2-CG2 4.24Å; F420-V424 HydrophobicContact CE1-CG2 4.08Å; F420-V424 HydrophobicContact CE2-CG2 3.75Å; F420-V424 HydrophobicContact CZ-CG2 3.65Å; F420-V424 WeakPolarHBondContact O-CG2 3.26Å; F420-V424 PolarHBondContact O-N 3.41Å; F420-L443 HydrophobicContact CE2-CD2 3.87Å; F420-L443 HydrophobicContact CZ-CD2 4Å; F420-L530 HydrophobicContact CD2-CB 3.85Å; F420-L530 HydrophobicContact CE2-CB 3.88Å; F420-V531 HydrophobicContact CD2-CG2 4.29Å; F420-V531 HydrophobicContact CE2-CG2 3.62Å; F420-V531 HydrophobicContact CZ-CG2 4.39Å
421	K	95.7	Very high	95.2	Very high	33 Å²	33	41.7 Å²	41.7	14%	0.143	19%	0.189	C	C	.	.	H	α-helix	trans	-56.3	-46.2	-176.2	-176.1	171.1	177.4	174.1	0	112.6	D312 V314 L341 E342 V343 N419 R423 V424 L425	D312-K421 VanDerWaalsContact OD1-CE 3.23Å; D312-K421 WeakPolarHBondContact OD1-CE 3.47Å; D312-K421 IonicContact OD1-NZ 2.97Å; D312-K421 PolarHBondContact OD1-NZ 3.1Å; D312-K421 WeakPolarHBondContact OD2-CE 3.27Å; D312-K421 IonicContact OD2-NZ 2.88Å; D312-K421 PolarHBondContact OD2-NZ 2.79Å; V314-K421 HydrophobicContact CG1-CG 3.87Å; V314-K421 HydrophobicContact CG2-CD 4.4Å; V314-K421 HydrophobicContact CG2-CG 4.25Å; L341-K421 VanDerWaalsContact O-CD 3.3Å; L341-K421 WeakPolarHBondContact O-CD 3.14Å; E342-K421 PolarHBondContact O-NZ 3.16Å; V343-K421 HydrophobicContact CG2-CD 4.21Å; N419-K421 PolarHBondContact O-N 3.04Å; K421-R423 VanDerWaalsContact C-N 3.34Å; K421-R423 PolarHBondContact O-N 3Å; K421-V424 PolarHBondContact O-N 2.97Å; K421-L425 HydrophobicContact CG-CD1 4.23Å; K421-L425 WeakPolarHBondContact O-CG 3.06Å; K421-L425 PolarHBondContact O-N 3.1Å
422	R	94.6	Very high	95.2	Very high	100 Å²	100	46.7 Å²	46.7	38%	0.377	21%	0.213	S	C	.	.	H	α-helix	trans	-63.2	-37.8	177	-75.9	-176.8	170	-179.4	-8.4	112.8	D279 L282 N419 F420 R426	D279-R422 IonicContact OD1-CZ 2.76Å; D279-R422 IonicContact OD1-NH1 3.16Å; D279-R422 PolarHBondContact OD1-NH1 2.98Å; L282-R422 HydrophobicContact CD1-CG 4.35Å; L282-R422 VanDerWaalsContact CD1-NH1 3.32Å; N419-R422 PolarHBondContact O-N 3.02Å; F420-R422 PolarHBondContact O-N 2.82Å; R422-R426 WeakPolarHBondContact O-CB 3.25Å; R422-R426 PolarHBondContact O-N 3.44Å; R422-R426 VanDerWaalsContact O-N 3.09Å
423	R	96.1	Very high	95.3	Very high	63 Å²	63	52.5 Å²	52.5	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-71.1	-38.5	179.8	-69.4	176.9	71.2	-160.9	-8	111.2	A418 N419 F420 K421 L427 P528 L530	A418-R423 WeakPolarHBondContact O-CD 3.49Å; N419-R423 HydrophobicContact CB-CG 4.17Å; N419-R423 VanDerWaalsContact O-CG 3.31Å; N419-R423 WeakPolarHBondContact O-CG 3.38Å; N419-R423 PolarHBondContact O-N 3.12Å; F420-R423 PolarHBondContact O-N 2.82Å; K421-R423 VanDerWaalsContact C-N 3.34Å; K421-R423 PolarHBondContact O-N 3Å; R423-L427 VanDerWaalsContact O-CB 3.27Å; R423-L427 WeakPolarHBondContact O-CB 3.43Å; R423-L427 PolarHBondContact O-N 2.86Å; R423-P528 PolarHBondContact NH2-O 2.89Å; R423-L530 HydrophobicContact CB-CD1 4.25Å; R423-L530 HydrophobicContact CB-CD2 3.83Å; R423-L530 HydrophobicContact CG-CD2 4.47Å; R423-L530 VanDerWaalsContact NE-CD2 3.28Å
424	V	97.6	Very high	95.6	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-51.2	173.5	175.7	0	0	0	0	110.9	V314 F316 F420 K421 R426 L427 M428 L443 L530	V314-V424 HydrophobicContact CG1-CB 4.45Å; V314-V424 HydrophobicContact CG1-CG1 4.19Å; F316-V424 HydrophobicContact CE2-CG1 3.65Å; F316-V424 HydrophobicContact CZ-CG1 4.05Å; F420-V424 HydrophobicContact CD2-CG2 4.24Å; F420-V424 HydrophobicContact CE1-CG2 4.08Å; F420-V424 HydrophobicContact CE2-CG2 3.75Å; F420-V424 HydrophobicContact CZ-CG2 3.65Å; F420-V424 WeakPolarHBondContact O-CG2 3.26Å; F420-V424 PolarHBondContact O-N 3.41Å; K421-V424 PolarHBondContact O-N 2.97Å; V424-R426 PolarHBondContact O-N 2.78Å; V424-L427 WeakPolarHBondContact O-CB 3.36Å; V424-L427 PolarHBondContact O-N 2.89Å; V424-L427 VanDerWaalsContact O-N 3.14Å; V424-M428 HydrophobicContact CG1-CG 4.29Å; V424-M428 WeakPolarHBondContact O-CG 3.36Å; V424-M428 PolarHBondContact O-N 2.96Å; V424-L443 HydrophobicContact CG2-CD2 3.71Å; V424-L530 HydrophobicContact CG2-CD1 3.56Å
425	L	96.6	Very high	95.7	Very high	74 Å²	74	61.7 Å²	61.7	39%	0.387	29%	0.285	S	S	.	.	H	α-helix	trans	-55.4	-49.5	178.9	-74.8	169.8	0	0	0	112	V314 K421 L427 M428 E429	V314-L425 HydrophobicContact CB-CD2 4.41Å; V314-L425 HydrophobicContact CG1-CD1 4.23Å; V314-L425 HydrophobicContact CG1-CD2 3.53Å; V314-L425 HydrophobicContact CG1-CG 3.49Å; V314-L425 VanDerWaalsContact CG1-CG 3.49Å; V314-L425 WeakPolarHBondContact O-CD2 3.11Å; K421-L425 HydrophobicContact CG-CD1 4.23Å; K421-L425 WeakPolarHBondContact O-CG 3.06Å; K421-L425 PolarHBondContact O-N 3.1Å; L425-L427 VanDerWaalsContact C-N 3.33Å; L425-L427 PolarHBondContact O-N 3.32Å; L425-M428 PolarHBondContact O-N 3.16Å; L425-E429 WeakPolarHBondContact O-CB 3.5Å; L425-E429 PolarHBondContact O-N 2.91Å
426	R	96.6	Very high	95.9	Very high	157 Å²	157	61.1 Å²	61.1	59%	0.592	29%	0.285	S	S	*	.	H	α-helix	trans	-61.7	-42.3	178.1	-178.6	179.2	-65	171.9	-0.6	112	R422 V424 E429 E430	R422-R426 WeakPolarHBondContact O-CB 3.25Å; R422-R426 PolarHBondContact O-N 3.44Å; R422-R426 VanDerWaalsContact O-N 3.09Å; V424-R426 PolarHBondContact O-N 2.78Å; R426-E429 PolarHBondContact O-N 3.35Å; R426-E430 HydrophobicContact CG-CG 4.44Å; R426-E430 WeakPolarHBondContact O-CG 3.23Å; R426-E430 PolarHBondContact O-N 3.36Å
427	L	97.5	Very high	96	Very high	11 Å²	11	65.3 Å²	65.3	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-48.8	178.5	173.7	67.2	0	0	0	110.9	R423 V424 L425 E429 E430 V431 I441 V459 L462 T526	R423-L427 VanDerWaalsContact O-CB 3.27Å; R423-L427 WeakPolarHBondContact O-CB 3.43Å; R423-L427 PolarHBondContact O-N 2.86Å; V424-L427 WeakPolarHBondContact O-CB 3.36Å; V424-L427 PolarHBondContact O-N 2.89Å; V424-L427 VanDerWaalsContact O-N 3.14Å; L425-L427 VanDerWaalsContact C-N 3.33Å; L425-L427 PolarHBondContact O-N 3.32Å; L427-E429 VanDerWaalsContact C-N 3.31Å; L427-E429 PolarHBondContact O-N 2.93Å; L427-E430 PolarHBondContact O-N 3.43Å; L427-V431 HydrophobicContact CD1-CG2 4.21Å; L427-V431 HydrophobicContact CG-CG2 4.41Å; L427-V431 WeakPolarHBondContact O-CB 3.34Å; L427-V431 VanDerWaalsContact O-CG2 3.28Å; L427-V431 WeakPolarHBondContact O-CG2 3.34Å; L427-V431 PolarHBondContact O-N 2.98Å; L427-I441 HydrophobicContact CD2-CG2 4.27Å; L427-V459 HydrophobicContact CD1-CG1 3.88Å; L427-L462 HydrophobicContact CD1-CB 4.16Å; L427-L462 HydrophobicContact CD1-CD1 4.06Å; L427-L462 HydrophobicContact CD1-CD2 4.43Å; L427-L462 HydrophobicContact CD1-CG 4.45Å; L427-T526 HydrophobicContact CD2-CG2 3.44Å; L427-T526 VanDerWaalsContact CD2-CG2 3.44Å
428	M	97.4	Very high	96.2	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.069	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-34.6	-178.2	-62.2	-46.1	-61.1	0	0	111.9	F316 K406 V424 L425 E432 W438 I441	F316-M428 HydrophobicContact CE1-CE 4.37Å; F316-M428 HydrophobicContact CE1-SD 4.48Å; F316-M428 HydrophobicContact CE2-CG 4.33Å; F316-M428 HydrophobicContact CZ-CE 4.46Å; F316-M428 HydrophobicContact CZ-CG 3.85Å; F316-M428 HydrophobicContact CZ-SD 4.05Å; K406-M428 HydrophobicContact CD-CE 4.14Å; V424-M428 HydrophobicContact CG1-CG 4.29Å; V424-M428 WeakPolarHBondContact O-CG 3.36Å; V424-M428 PolarHBondContact O-N 2.96Å; L425-M428 PolarHBondContact O-N 3.16Å; M428-E432 WeakPolarHBondContact O-CB 3.44Å; M428-E432 PolarHBondContact O-N 3.17Å; M428-W438 HydrophobicContact CE-CH2 4.14Å; M428-W438 HydrophobicContact CE-CZ2 3.55Å; M428-I441 HydrophobicContact SD-CD1 4.31Å
429	E	96.6	Very high	96.6	Very high	112 Å²	112	62.6 Å²	62.6	52%	0.523	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-47	171.6	-175.3	-174.8	-176.8	0	0	111.7	L425 R426 L427 E432 Q433	L425-E429 WeakPolarHBondContact O-CB 3.5Å; L425-E429 PolarHBondContact O-N 2.91Å; R426-E429 PolarHBondContact O-N 3.35Å; L427-E429 VanDerWaalsContact C-N 3.31Å; L427-E429 PolarHBondContact O-N 2.93Å; E429-E432 PolarHBondContact O-N 3.28Å; E429-Q433 WeakPolarHBondContact O-CB 3.49Å; E429-Q433 VanDerWaalsContact O-CG 3.24Å; E429-Q433 WeakPolarHBondContact O-CG 3.35Å; E429-Q433 PolarHBondContact O-N 3.29Å; E429-Q433 PolarHBondContact OE1-NE2 3.3Å
430	E	96.9	Very high	96.9	Very high	26 Å²	26	60 Å²	60	12%	0.121	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-39.6	177.7	-72.2	178.9	-167.1	0	0	111.8	R426 L427 E432 Q433 V434 V459 R460	R426-E430 HydrophobicContact CG-CG 4.44Å; R426-E430 WeakPolarHBondContact O-CG 3.23Å; R426-E430 PolarHBondContact O-N 3.36Å; L427-E430 PolarHBondContact O-N 3.43Å; E430-E432 VanDerWaalsContact C-N 3.35Å; E430-Q433 PolarHBondContact O-N 2.83Å; E430-V434 WeakPolarHBondContact O-CG2 3.49Å; E430-V434 PolarHBondContact O-N 3.14Å; E430-V459 HydrophobicContact CB-CG1 4.08Å; E430-R460 WeakPolarHBondContact OE2-CB 3.48Å; E430-R460 PolarHBondContact OE2-N 3.27Å
431	V	97.1	Very high	97.1	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-43.2	175.5	162.2	0	0	0	0	111.5	L427 E435 L436 W438 I441 V459 L462	L427-V431 HydrophobicContact CD1-CG2 4.21Å; L427-V431 HydrophobicContact CG-CG2 4.41Å; L427-V431 WeakPolarHBondContact O-CB 3.34Å; L427-V431 VanDerWaalsContact O-CG2 3.28Å; L427-V431 WeakPolarHBondContact O-CG2 3.34Å; L427-V431 PolarHBondContact O-N 2.98Å; V431-E435 PolarHBondContact O-N 3.45Å; V431-L436 HydrophobicContact CG1-CB 4.23Å; V431-L436 HydrophobicContact CG2-CD2 4.27Å; V431-L436 PolarHBondContact O-N 2.75Å; V431-L436 VanDerWaalsContact O-N 3.09Å; V431-W438 HydrophobicContact CG1-CG 4.29Å; V431-W438 VanDerWaalsContact CG1-NE1 3.33Å; V431-I441 HydrophobicContact CG2-CD1 4.24Å; V431-V459 HydrophobicContact CG2-CG1 4.16Å; V431-L462 HydrophobicContact CG2-CD2 4.13Å
432	E	96.1	Very high	97.2	Very high	135 Å²	135	58.4 Å²	58.4	63%	0.631	27%	0.269	S	S	*	.	H	α-helix	trans	-69.7	-42.4	177.4	-173.4	173.3	176.1	0	0	111.8	M428 E429 E430 V434 E435	M428-E432 WeakPolarHBondContact O-CB 3.44Å; M428-E432 PolarHBondContact O-N 3.17Å; E429-E432 PolarHBondContact O-N 3.28Å; E430-E432 VanDerWaalsContact C-N 3.35Å; E432-V434 VanDerWaalsContact C-N 3.28Å; E432-V434 PolarHBondContact O-N 3.19Å; E432-E435 PolarHBondContact O-N 3.14Å
433	Q	96.8	Very high	97.4	Very high	132 Å²	132	53.8 Å²	53.8	62%	0.617	25%	0.251	S	S	*	.	H	α-helix	trans	-60.7	-33.6	179.7	-79	175.3	7.4	0	0	113.9	E429 E430	E429-Q433 WeakPolarHBondContact O-CB 3.49Å; E429-Q433 VanDerWaalsContact O-CG 3.24Å; E429-Q433 WeakPolarHBondContact O-CG 3.35Å; E429-Q433 PolarHBondContact O-N 3.29Å; E429-Q433 PolarHBondContact OE1-NE2 3.3Å; E430-Q433 PolarHBondContact O-N 2.83Å
434	V	97.1	Very high	97.4	Very high	59 Å²	59	50.8 Å²	50.8	36%	0.358	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.7	178.1	-53.1	0	0	0	0	112.9	E430 E432 L436 N458 V459	E430-V434 WeakPolarHBondContact O-CG2 3.49Å; E430-V434 PolarHBondContact O-N 3.14Å; E432-V434 VanDerWaalsContact C-N 3.28Å; E432-V434 PolarHBondContact O-N 3.19Å; V434-L436 HydrophobicContact CG2-CB 3.83Å; V434-L436 PolarHBondContact O-N 3.48Å; V434-N458 HydrophobicContact CG1-CB 3.94Å; V434-V459 HydrophobicContact CG1-CG2 4.29Å; V434-V459 HydrophobicContact CG2-CG2 3.51Å
435	E	96.8	Very high	97.3	Very high	176 Å²	176	50.8 Å²	50.8	82%	0.822	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	43.8	-175.5	-58.7	-179.4	163.1	0	0	111.8	V431 E432 D437	V431-E435 PolarHBondContact O-N 3.45Å; E432-E435 PolarHBondContact O-N 3.14Å; E435-D437 PolarHBondContact O-N 2.83Å
436	L	97.6	Very high	97	Very high	39 Å²	39	48.6 Å²	48.6	20%	0.204	23%	0.227	C	C	.	.			trans	-62.9	125	-178.5	-176.7	67.3	0	0	0	109.2	V431 V434 W438 V456 L462 F524	V431-L436 HydrophobicContact CG1-CB 4.23Å; V431-L436 HydrophobicContact CG2-CD2 4.27Å; V431-L436 PolarHBondContact O-N 2.75Å; V431-L436 VanDerWaalsContact O-N 3.09Å; V434-L436 HydrophobicContact CG2-CB 3.83Å; V434-L436 PolarHBondContact O-N 3.48Å; L436-W438 HydrophobicContact CD2-CB 4.44Å; L436-W438 HydrophobicContact CG-CB 4.44Å; L436-W438 VanDerWaalsContact O-CD1 3.28Å; L436-W438 PolarHBondContact O-N 2.88Å; L436-V456 HydrophobicContact CD1-CG1 4.04Å; L436-V456 HydrophobicContact CD2-CG1 4.25Å; L436-L462 HydrophobicContact CD2-CD2 3.62Å; L436-F524 HydrophobicContact CD1-CE1 4.33Å; L436-F524 HydrophobicContact CD1-CZ 3.87Å; L436-F524 HydrophobicContact CD2-CD2 4.32Å; L436-F524 HydrophobicContact CD2-CE1 4.23Å; L436-F524 HydrophobicContact CD2-CE2 4.03Å; L436-F524 HydrophobicContact CD2-CZ 3.97Å; L436-F524 HydrophobicContact CG-CE2 4.24Å; L436-F524 HydrophobicContact CG-CZ 4.09Å
437	D	96.9	Very high	96.6	Very high	90 Å²	90	44 Å²	44	48%	0.481	21%	0.213	S	C	.	.			trans	-73.1	110.3	168.4	-164.6	24.4	0	0	0	107.8	E435 Q522 F524	E435-D437 PolarHBondContact O-N 2.83Å; D437-Q522 VanDerWaalsContact CB-OE1 3.31Å; D437-Q522 PolarHBondContact O-OE1 3.39Å; D437-Q522 PolarHBondContact OD1-OE1 3.06Å; D437-Q522 PolarHBondContact OD2-NE2 3.04Å; D437-Q522 PolarHBondContact OD2-OE1 3.13Å; D437-F524 WeakPolarHBondContact O-CE2 3.16Å
438	W	98.3	Very high	96	Very high	28 Å²	28	44.9 Å²	44.9	11%	0.106	22%	0.218	C	C	.	.			trans	-139.2	142.2	-178.5	73.3	-85.2	0	0	0	112.1	K406 M428 V431 L436 I441 A475 S477 F524	K406-W438 HydrophobicContact CB-CH2 4.03Å; K406-W438 HydrophobicContact CB-CZ2 4.14Å; K406-W438 HydrophobicContact CD-CZ2 4.25Å; M428-W438 HydrophobicContact CE-CH2 4.14Å; M428-W438 HydrophobicContact CE-CZ2 3.55Å; V431-W438 HydrophobicContact CG1-CG 4.29Å; V431-W438 VanDerWaalsContact CG1-NE1 3.33Å; L436-W438 HydrophobicContact CD2-CB 4.44Å; L436-W438 HydrophobicContact CG-CB 4.44Å; L436-W438 VanDerWaalsContact O-CD1 3.28Å; L436-W438 PolarHBondContact O-N 2.88Å; W438-I441 HydrophobicContact CD2-CD1 3.72Å; W438-I441 HydrophobicContact CD2-CG1 3.99Å; W438-I441 HydrophobicContact CE3-CD1 3.75Å; W438-I441 HydrophobicContact CE3-CG1 3.58Å; W438-I441 HydrophobicContact CG-CD1 4.11Å; W438-I441 HydrophobicContact CG-CG1 4.41Å; W438-I441 HydrophobicContact CZ3-CD1 4.2Å; W438-I441 HydrophobicContact CZ3-CG1 4.1Å; W438-A475 HydrophobicContact CH2-CB 4.06Å; W438-A475 HydrophobicContact CZ3-CB 4.05Å; W438-S477 PolarHBondContact O-OG 2.8Å; W438-S477 VanDerWaalsContact O-OG 3.06Å; W438-F524 HydrophobicContact CB-CD2 3.74Å; W438-F524 HydrophobicContact CB-CE2 3.62Å
439	D	98.8	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-107.1	-40.2	175.6	-70.6	-53.2	0	0	0	112.2	I476 S477 Q479 G480 K483 L521 Q522	D439-I476 WeakPolarHBondContact O-CA 3.31Å; D439-I476 WeakPolarHBondContact O-CG1 3.14Å; D439-S477 WeakPolarHBondContact CA-OG 3.48Å; D439-S477 PolarHBondContact O-N 3.04Å; D439-Q479 PolarHBondContact OD1-OE1 2.53Å; D439-Q479 VanDerWaalsContact OD1-OE1 3.04Å; D439-G480 WeakPolarHBondContact OD1-CA 3.4Å; D439-G480 PolarHBondContact OD1-N 2.76Å; D439-K483 WeakPolarHBondContact OD1-CD 3.22Å; D439-K483 IonicContact OD1-NZ 3.79Å; D439-K483 PolarHBondContact OD1-NZ 2.77Å; D439-K483 WeakPolarHBondContact OD2-CD 3.39Å; D439-K483 IonicContact OD2-NZ 3.72Å; D439-K483 PolarHBondContact OD2-NZ 2.71Å; D439-L521 HydrophobicContact CB-CD1 3.49Å; D439-L521 VanDerWaalsContact CB-CD1 3.49Å; D439-L521 HydrophobicContact CB-CG 3.78Å; D439-L521 WeakPolarHBondContact OD2-CA 3.19Å; D439-Q522 HydrophobicContact CB-CB 4.45Å; D439-Q522 PolarHBondContact N-O 3.3Å; D439-Q522 PolarHBondContact OD2-N 2.88Å
440	L	98.7	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.4	-175.3	-174.9	147.3	0	0	0	110.6	Y442 Y474 A475 L500 L521 Q522 A523 F524	L440-Y442 HydrophobicContact CD2-CD1 4.08Å; L440-Y442 HydrophobicContact CD2-CD2 3.48Å; L440-Y442 VanDerWaalsContact CD2-CD2 3.48Å; L440-Y442 HydrophobicContact CD2-CE1 3.98Å; L440-Y442 HydrophobicContact CD2-CE2 3.39Å; L440-Y442 HydrophobicContact CD2-CG 3.85Å; L440-Y474 HydrophobicContact CD1-CD2 3.79Å; L440-Y474 HydrophobicContact CD1-CE2 4.16Å; L440-Y474 HydrophobicContact CD1-CG 4.27Å; L440-Y474 HydrophobicContact CG-CD2 4.05Å; L440-Y474 HydrophobicContact CG-CG 4.42Å; L440-A475 WeakPolarHBondContact CA-O 3.42Å; L440-L500 HydrophobicContact CD1-CD1 4.1Å; L440-L500 HydrophobicContact CD1-CD2 4.02Å; L440-L521 HydrophobicContact CB-CD2 4.27Å; L440-L521 HydrophobicContact CD1-CD2 4.45Å; L440-Q522 PolarHBondContact N-O 3.27Å; L440-A523 HydrophobicContact CD2-CB 4.38Å; L440-A523 CarbonylContact O-C 3.51Å; L440-A523 WeakPolarHBondContact O-CA 3.43Å; L440-F524 PolarHBondContact O-N 2.88Å
441	I	98.7	Very high	93.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.7	172.7	-58.1	171.3	0	0	0	108.7	L427 M428 V431 W438 L443 L462 Y474 A475 F524 T526	L427-I441 HydrophobicContact CD2-CG2 4.27Å; M428-I441 HydrophobicContact SD-CD1 4.31Å; V431-I441 HydrophobicContact CG2-CD1 4.24Å; W438-I441 HydrophobicContact CD2-CD1 3.72Å; W438-I441 HydrophobicContact CD2-CG1 3.99Å; W438-I441 HydrophobicContact CE3-CD1 3.75Å; W438-I441 HydrophobicContact CE3-CG1 3.58Å; W438-I441 HydrophobicContact CG-CD1 4.11Å; W438-I441 HydrophobicContact CG-CG1 4.41Å; W438-I441 HydrophobicContact CZ3-CD1 4.2Å; W438-I441 HydrophobicContact CZ3-CG1 4.1Å; I441-L443 HydrophobicContact CG2-CD1 4.39Å; I441-L443 VanDerWaalsContact O-CD1 3.28Å; I441-L443 WeakPolarHBondContact O-CD1 3.48Å; I441-L462 HydrophobicContact CG2-CD1 3.85Å; I441-Y474 CarbonylContact O-C 3.52Å; I441-Y474 WeakPolarHBondContact O-CA 3.35Å; I441-Y474 WeakPolarHBondContact O-CB 3.13Å; I441-A475 HydrophobicContact CB-CB 4.37Å; I441-A475 PolarHBondContact N-O 3.33Å; I441-A475 PolarHBondContact O-N 2.83Å; I441-F524 CarbonylContact C-O 2.93Å; I441-F524 WeakPolarHBondContact CA-O 2.93Å; I441-F524 HydrophobicContact CG1-CB 4.22Å; I441-T526 HydrophobicContact CG2-CG2 4.32Å
442	Y	98.7	Very high	93	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.4	173.1	-72.6	-73	0	0	0	112	L440 R445 A465 L500 Y504 F524 S525 T526	L440-Y442 HydrophobicContact CD2-CD1 4.08Å; L440-Y442 HydrophobicContact CD2-CD2 3.48Å; L440-Y442 VanDerWaalsContact CD2-CD2 3.48Å; L440-Y442 HydrophobicContact CD2-CE1 3.98Å; L440-Y442 HydrophobicContact CD2-CE2 3.39Å; L440-Y442 HydrophobicContact CD2-CG 3.85Å; Y442-R445 HydrophobicContact CD1-CB 4.05Å; Y442-R445 HydrophobicContact CD1-CG 4.44Å; Y442-R445 HydrophobicContact CG-CB 4.33Å; Y442-R445 HydrophobicContact CG-CG 4.21Å; Y442-A465 HydrophobicContact CD2-CB 4.18Å; Y442-A465 HydrophobicContact CE2-CB 4.44Å; Y442-L500 HydrophobicContact CE1-CD1 4.37Å; Y442-L500 WeakPolarHBondContact OH-CB 3.25Å; Y442-L500 WeakPolarHBondContact OH-CD1 3.43Å; Y442-Y504 HydrophobicContact CE2-CE1 4.09Å; Y442-F524 PolarHBondContact N-O 3.46Å; Y442-S525 WeakPolarHBondContact O-CA 3.16Å; Y442-T526 PolarHBondContact O-N 3.18Å; Y442-T526 PolarHBondContact O-OG1 2.96Å; Y442-T526 VanDerWaalsContact O-OG1 3.11Å
443	L	98.4	Very high	92.8	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-28.9	170.1	-78	75.7	0	0	0	111.3	L408 F420 V424 I441 S473 A475 T526 L530 V531	L408-L443 HydrophobicContact CD1-CD1 4.03Å; L408-L443 HydrophobicContact CD1-CD2 3.85Å; F420-L443 HydrophobicContact CE2-CD2 3.87Å; F420-L443 HydrophobicContact CZ-CD2 4Å; V424-L443 HydrophobicContact CG2-CD2 3.71Å; I441-L443 HydrophobicContact CG2-CD1 4.39Å; I441-L443 VanDerWaalsContact O-CD1 3.28Å; I441-L443 WeakPolarHBondContact O-CD1 3.48Å; L443-S473 PolarHBondContact N-O 3.08Å; L443-A475 HydrophobicContact CD1-CB 4.27Å; L443-T526 HydrophobicContact CG-CG2 4.41Å; L443-L530 HydrophobicContact CB-CB 4.34Å; L443-L530 HydrophobicContact CD2-CB 4.49Å; L443-L530 HydrophobicContact CD2-CD1 4.12Å; L443-L530 HydrophobicContact CG-CB 4.49Å; L443-L530 HydrophobicContact CG-CD1 4.26Å; L443-L530 PolarHBondContact O-N 3.45Å; L443-V531 HydrophobicContact CB-CG2 4.07Å; L443-V531 PolarHBondContact O-N 2.94Å
444	G	96.9	Very high	92.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	129.5	173.6	0	0	0	0	0	110.9	S473 V531	G444-S473 PolarHBondContact N-O 2.89Å; G444-S473 PolarHBondContact O-N 3.42Å; G444-V531 WeakPolarHBondContact CA-O 3.33Å
445	R	94.5	Very high	92.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	168	177.7	60.2	171.8	172.1	131.3	13	110.3	Y442 Q447 E453 D466 S468 S525 L529	Y442-R445 HydrophobicContact CD1-CB 4.05Å; Y442-R445 HydrophobicContact CD1-CG 4.44Å; Y442-R445 HydrophobicContact CG-CB 4.33Å; Y442-R445 HydrophobicContact CG-CG 4.21Å; R445-Q447 HydrophobicContact CG-CG 4.39Å; R445-E453 IonicContact CZ-OE1 3.86Å; R445-E453 IonicContact CZ-OE2 2.66Å; R445-E453 IonicContact NH1-OE1 3.71Å; R445-E453 PolarHBondContact NH1-OE1 2.86Å; R445-E453 IonicContact NH2-OE1 2.78Å; R445-E453 PolarHBondContact NH2-OE1 2.87Å; R445-E453 IonicContact NH2-OE2 3.11Å; R445-E453 PolarHBondContact NH2-OE2 2.88Å; R445-D466 PolarHBondContact NH1-O 3.14Å; R445-S468 WeakPolarHBondContact CD-OG 3.37Å; R445-S468 PolarHBondContact NH1-OG 3.5Å; R445-S525 PolarHBondContact NE-OG 2.71Å; R445-S525 PolarHBondContact NH2-OG 3Å; R445-L529 HydrophobicContact CG-CD2 4.11Å; R445-L529 VanDerWaalsContact O-CD1 3.32Å; R445-L529 WeakPolarHBondContact O-CD1 3.48Å
446	K	90.9	Very high	92.7	Very high	28 Å²	28	38 Å²	38	12%	0.122	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.8	163.7	-177.7	171.9	176.1	173.7	0	110	S468 Y469 W470 H565 K566 L568	K446-S468 WeakPolarHBondContact O-CA 3.29Å; K446-Y469 HydrophobicContact CD-CD2 4.37Å; K446-Y469 PolarHBondContact N-O 3.45Å; K446-Y469 PolarHBondContact O-N 3.42Å; K446-W470 HydrophobicContact CB-CD2 3.64Å; K446-W470 HydrophobicContact CB-CE3 3.54Å; K446-W470 HydrophobicContact CB-CG 4.07Å; K446-W470 HydrophobicContact CB-CZ3 4.01Å; K446-W470 HydrophobicContact CD-CD2 4.42Å; K446-W470 HydrophobicContact CD-CH2 4.25Å; K446-W470 HydrophobicContact CD-CZ2 4.1Å; K446-W470 HydrophobicContact CD-CZ3 4.47Å; K446-W470 HydrophobicContact CG-CE3 4.48Å; K446-H565 PolarHBondContact NZ-O 3.08Å; K446-K566 WeakPolarHBondContact CD-O 3.29Å; K446-K566 WeakPolarHBondContact CE-O 3.26Å; K446-K566 VanDerWaalsContact NZ-C 3.31Å; K446-K566 PolarHBondContact NZ-O 2.75Å; K446-L568 PolarHBondContact NZ-O 3.18Å
447	Q	88.1	Confident	92.4	Very high	61 Å²	61	43.9 Å²	43.9	29%	0.285	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.5	173.1	-63.1	172.8	-67.5	0	0	110.2	R445 P450 E453	R445-Q447 HydrophobicContact CG-CG 4.39Å; Q447-P450 HydrophobicContact CB-CB 4.26Å; Q447-E453 PolarHBondContact NE2-OE2 2.96Å
448	V	85.6	Confident	92.2	Very high	28 Å²	28	46.2 Å²	46.2	17%	0.17	27%	0.271	C	S	.	.	S	Bend	trans	-88.4	-47.7	176.2	-177	0	0	0	0	111.1	P450 Y467 Y469 P573	V448-P450 WeakPolarHBondContact O-CD 3.21Å; V448-Y467 HydrophobicContact CB-CD1 4.25Å; V448-Y467 HydrophobicContact CG1-CD1 4.33Å; V448-Y467 HydrophobicContact CG2-CD1 3.92Å; V448-Y467 HydrophobicContact CG2-CE1 4.37Å; V448-Y467 PolarHBondContact N-O 2.97Å; V448-Y469 HydrophobicContact CG2-CD2 3.66Å; V448-Y469 HydrophobicContact CG2-CE2 3.56Å; V448-P573 HydrophobicContact CG1-CG 4.22Å
449	N	82.7	Confident	92.1	Very high	60 Å²	60	45.2 Å²	45.2	32%	0.321	27%	0.267	S	S	.	.			trans	-126.4	66.4	-176.8	-66.1	-53.5	0	0	0	112.1	G451 K452	N449-G451 PolarHBondContact O-N 2.99Å; N449-K452 HydrophobicContact CB-CB 4.45Å; N449-K452 HydrophobicContact CB-CD 4.1Å; N449-K452 HydrophobicContact CB-CG 4.26Å; N449-K452 PolarHBondContact O-N 3.36Å
450	P	77.9	Confident	91.8	Very high	65 Å²	65	53.7 Å²	53.7	42%	0.422	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-60.9	-23.6	-173	24.9	-34.8	0	0	0	114.1	Q447 V448 K452	Q447-P450 HydrophobicContact CB-CB 4.26Å; V448-P450 WeakPolarHBondContact O-CD 3.21Å; P450-K452 VanDerWaalsContact C-N 3.27Å; P450-K452 PolarHBondContact O-N 3Å
451	G	80.1	Confident	91.6	Very high	82 Å²	82	58.4 Å²	58.4	85%	0.845	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-72.1	-13.7	177.3	0	0	0	0	0	115.1	N449	N449-G451 PolarHBondContact O-N 2.99Å
452	K	83.7	Confident	91.6	Very high	152 Å²	152	58.4 Å²	58.4	66%	0.661	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-92.6	-7.1	179	-67.9	-173	178.1	-179.9	0	113.5	N449 P450 A454 D466	N449-K452 HydrophobicContact CB-CB 4.45Å; N449-K452 HydrophobicContact CB-CD 4.1Å; N449-K452 HydrophobicContact CB-CG 4.26Å; N449-K452 PolarHBondContact O-N 3.36Å; P450-K452 VanDerWaalsContact C-N 3.27Å; P450-K452 PolarHBondContact O-N 3Å; K452-A454 PolarHBondContact O-N 3.38Å; K452-D466 WeakPolarHBondContact CB-OD2 3.48Å
453	E	91.9	Very high	91.5	Very high	10 Å²	10	58.3 Å²	58.3	5%	0.047	32%	0.324	C	S	.	.			trans	-83	114	-172.1	-55.8	-166.9	137.7	0	0	111.9	R445 Q447 V463 D466 R527	R445-E453 IonicContact CZ-OE1 3.86Å; R445-E453 IonicContact CZ-OE2 2.66Å; R445-E453 IonicContact NH1-OE1 3.71Å; R445-E453 PolarHBondContact NH1-OE1 2.86Å; R445-E453 IonicContact NH2-OE1 2.78Å; R445-E453 PolarHBondContact NH2-OE1 2.87Å; R445-E453 IonicContact NH2-OE2 3.11Å; R445-E453 PolarHBondContact NH2-OE2 2.88Å; Q447-E453 PolarHBondContact NE2-OE2 2.96Å; E453-V463 HydrophobicContact CB-CB 4Å; E453-V463 HydrophobicContact CB-CG1 4.39Å; E453-V463 HydrophobicContact CB-CG2 3.96Å; E453-D466 HydrophobicContact CG-CB 3.97Å; E453-D466 PolarHBondContact OE1-N 2.99Å; E453-D466 VanDerWaalsContact OE1-N 3.07Å; E453-R527 PolarHBondContact O-NH1 2.98Å
454	A	94.6	Very high	91.5	Very high	62 Å²	62	61.1 Å²	61.1	51%	0.512	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-73.6	137.5	177.6	0	0	0	0	0	110.9	K452 V463 V464	K452-A454 PolarHBondContact O-N 3.38Å; A454-V463 CarbonylContact O-C 3.49Å; A454-V463 WeakPolarHBondContact O-CA 3.3Å; A454-V463 VanDerWaalsContact O-CB 3.25Å; A454-V463 WeakPolarHBondContact O-CB 3.2Å; A454-V464 PolarHBondContact O-N 2.95Å
455	A	96.4	Very high	91.5	Very high	65 Å²	65	61.1 Å²	61.1	54%	0.537	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-66.7	144.9	172.1	0	0	0	0	0	110.6
456	V	96.4	Very high	91.5	Very high	17 Å²	17	62.2 Å²	62.2	10%	0.103	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-78.8	129.5	169.8	-177.3	0	0	0	0	108.3	L436 V459 L462 V464 F524	L436-V456 HydrophobicContact CD1-CG1 4.04Å; L436-V456 HydrophobicContact CD2-CG1 4.25Å; V456-V459 HydrophobicContact CB-CB 4.35Å; V456-V459 HydrophobicContact CG1-CB 4.15Å; V456-V459 HydrophobicContact CG1-CG2 4.07Å; V456-L462 HydrophobicContact CB-CB 4.27Å; V456-L462 HydrophobicContact CB-CD2 4.21Å; V456-L462 HydrophobicContact CB-CG 4.34Å; V456-L462 HydrophobicContact CG1-CD2 4.37Å; V456-L462 HydrophobicContact CG2-CB 4.18Å; V456-L462 HydrophobicContact CG2-CD2 3.89Å; V456-L462 HydrophobicContact CG2-CG 3.82Å; V456-L462 PolarHBondContact N-O 3.4Å; V456-V464 HydrophobicContact CG2-CG2 4.46Å; V456-F524 HydrophobicContact CG2-CD1 3.42Å; V456-F524 VanDerWaalsContact CG2-CD1 3.42Å; V456-F524 HydrophobicContact CG2-CE1 3.59Å
457	E	92.6	Very high	91.6	Very high	163 Å²	163	61.4 Å²	61.4	76%	0.762	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	139.7	177.4	-67.2	-172.2	176.1	0	0	110.5	V459	E457-V459 PolarHBondContact O-N 3.35Å
458	N	92.1	Very high	91.7	Very high	140 Å²	140	58.5 Å²	58.5	75%	0.749	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	-0.6	177.5	-51.9	-48.9	0	0	0	116.9	V434	V434-N458 HydrophobicContact CG1-CB 3.94Å
459	V	95.6	Very high	91.9	Very high	6 Å²	6	57.4 Å²	57.4	4%	0.036	32%	0.324	C	S	.	.	S	Bend	trans	-114.5	118.6	171.1	-171.8	0	0	0	0	109.8	L427 E430 V431 V434 V456 E457 L462	L427-V459 HydrophobicContact CD1-CG1 3.88Å; E430-V459 HydrophobicContact CB-CG1 4.08Å; V431-V459 HydrophobicContact CG2-CG1 4.16Å; V434-V459 HydrophobicContact CG1-CG2 4.29Å; V434-V459 HydrophobicContact CG2-CG2 3.51Å; V456-V459 HydrophobicContact CB-CB 4.35Å; V456-V459 HydrophobicContact CG1-CB 4.15Å; V456-V459 HydrophobicContact CG1-CG2 4.07Å; E457-V459 PolarHBondContact O-N 3.35Å; V459-L462 HydrophobicContact CB-CB 4.2Å; V459-L462 HydrophobicContact CB-CD2 4.16Å; V459-L462 HydrophobicContact CG1-CB 3.75Å; V459-L462 HydrophobicContact CG1-CD2 3.73Å; V459-L462 HydrophobicContact CG1-CG 4.38Å
460	R	93.6	Very high	92.2	Very high	178 Å²	178	56.3 Å²	56.3	67%	0.672	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	144.9	-176.3	-63.8	177.2	178.2	176.4	2.3	110	E430 L462	E430-R460 WeakPolarHBondContact OE2-CB 3.48Å; E430-R460 PolarHBondContact OE2-N 3.27Å; R460-L462 PolarHBondContact O-N 2.92Å
461	N	95.1	Very high	92.9	Very high	99 Å²	99	53.4 Å²	53.4	53%	0.529	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	27.9	175.4	-53.5	-47.7	0	0	0	113.8	T526 R527	N461-T526 CarbonylContact O-C 3.49Å; N461-T526 WeakPolarHBondContact O-CA 3.5Å; N461-R527 WeakPolarHBondContact CA-O 2.88Å; N461-R527 WeakPolarHBondContact CB-O 3.41Å; N461-R527 PolarHBondContact O-N 3.16Å; N461-R527 PolarHBondContact OD1-O 2.83Å
462	L	97.8	Very high	93.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.5	175	-167.4	69.1	0	0	0	109.7	L427 V431 L436 I441 V456 V459 R460 F524	L427-L462 HydrophobicContact CD1-CB 4.16Å; L427-L462 HydrophobicContact CD1-CD1 4.06Å; L427-L462 HydrophobicContact CD1-CD2 4.43Å; L427-L462 HydrophobicContact CD1-CG 4.45Å; V431-L462 HydrophobicContact CG2-CD2 4.13Å; L436-L462 HydrophobicContact CD2-CD2 3.62Å; I441-L462 HydrophobicContact CG2-CD1 3.85Å; V456-L462 HydrophobicContact CB-CB 4.27Å; V456-L462 HydrophobicContact CB-CD2 4.21Å; V456-L462 HydrophobicContact CB-CG 4.34Å; V456-L462 HydrophobicContact CG1-CD2 4.37Å; V456-L462 HydrophobicContact CG2-CB 4.18Å; V456-L462 HydrophobicContact CG2-CD2 3.89Å; V456-L462 HydrophobicContact CG2-CG 3.82Å; V456-L462 PolarHBondContact N-O 3.4Å; V459-L462 HydrophobicContact CB-CB 4.2Å; V459-L462 HydrophobicContact CB-CD2 4.16Å; V459-L462 HydrophobicContact CG1-CB 3.75Å; V459-L462 HydrophobicContact CG1-CD2 3.73Å; V459-L462 HydrophobicContact CG1-CG 4.38Å; R460-L462 PolarHBondContact O-N 2.92Å; L462-F524 HydrophobicContact CD1-CB 3.8Å; L462-F524 HydrophobicContact CD2-CB 4.28Å; L462-F524 HydrophobicContact CD2-CD1 4.34Å; L462-F524 HydrophobicContact CD2-CG 4.34Å; L462-F524 HydrophobicContact CG-CB 4.07Å; L462-F524 HydrophobicContact CG-CD1 4.47Å
463	V	97.6	Very high	94.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.8	176	-61.8	0	0	0	0	110.9	E453 A454 A465 F524 S525 R527	E453-V463 HydrophobicContact CB-CB 4Å; E453-V463 HydrophobicContact CB-CG1 4.39Å; E453-V463 HydrophobicContact CB-CG2 3.96Å; A454-V463 CarbonylContact O-C 3.49Å; A454-V463 WeakPolarHBondContact O-CA 3.3Å; A454-V463 VanDerWaalsContact O-CB 3.25Å; A454-V463 WeakPolarHBondContact O-CB 3.2Å; V463-A465 PolarHBondContact O-N 3.25Å; V463-F524 CarbonylContact O-C 3.45Å; V463-F524 WeakPolarHBondContact O-CA 3.19Å; V463-F524 WeakPolarHBondContact O-CB 3.42Å; V463-S525 WeakPolarHBondContact CG2-O 3.37Å; V463-S525 PolarHBondContact N-O 3.37Å; V463-S525 PolarHBondContact O-N 3.39Å; V463-R527 HydrophobicContact CG1-CB 3.95Å; V463-R527 VanDerWaalsContact CG1-NE 3.31Å; V463-R527 HydrophobicContact CG2-CB 4.44Å
464	V	97.6	Very high	94.6	Very high	61 Å²	61	42 Å²	42	37%	0.37	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.2	164.7	-176.6	0	0	0	0	108.2	A454 V456 F524	A454-V464 PolarHBondContact O-N 2.95Å; V456-V464 HydrophobicContact CG2-CG2 4.46Å; V464-F524 HydrophobicContact CG2-CD1 4.27Å; V464-F524 HydrophobicContact CG2-CE1 4.06Å
465	A	96.1	Very high	94.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	20%	0.199	C	C	.	.			trans	-71.2	136.2	-176.8	0	0	0	0	0	111.2	Y442 V463 Y504 A523	Y442-A465 HydrophobicContact CD2-CB 4.18Å; Y442-A465 HydrophobicContact CE2-CB 4.44Å; V463-A465 PolarHBondContact O-N 3.25Å; A465-Y504 HydrophobicContact CB-CE2 4.37Å; A465-A523 HydrophobicContact CB-CB 4.04Å; A465-A523 WeakPolarHBondContact CB-O 3.23Å; A465-A523 PolarHBondContact N-O 3.4Å
466	D	94.8	Very high	94.9	Very high	27 Å²	27	36.1 Å²	36.1	14%	0.144	17%	0.174	C	C	.	.			trans	-102	-172.1	168.6	-154.6	-18.8	0	0	0	110.8	R445 K452 E453 S468 Y504	R445-D466 PolarHBondContact NH1-O 3.14Å; K452-D466 WeakPolarHBondContact CB-OD2 3.48Å; E453-D466 HydrophobicContact CG-CB 3.97Å; E453-D466 PolarHBondContact OE1-N 2.99Å; E453-D466 VanDerWaalsContact OE1-N 3.07Å; D466-S468 PolarHBondContact O-N 3.33Å; D466-S468 PolarHBondContact O-OG 3.01Å; D466-Y504 PolarHBondContact O-OH 3.48Å
467	Y	93.8	Very high	95	Very high	10 Å²	10	35.9 Å²	35.9	4%	0.039	17%	0.173	C	C	.	.	S	Bend	trans	-52.8	133.4	177.7	-173.2	-131.2	0	0	0	112	V448 Y469 E498 P501 K506 H507 P508	V448-Y467 HydrophobicContact CB-CD1 4.25Å; V448-Y467 HydrophobicContact CG1-CD1 4.33Å; V448-Y467 HydrophobicContact CG2-CD1 3.92Å; V448-Y467 HydrophobicContact CG2-CE1 4.37Å; V448-Y467 PolarHBondContact N-O 2.97Å; Y467-Y469 AromaticContact CE1-CE1 3.99Å; Y467-Y469 HydrophobicContact CE1-CE1 3.99Å; Y467-Y469 HydrophobicContact CE1-CE2 4.19Å; Y467-Y469 AromaticContact CE1-CZ 3.56Å; Y467-Y469 WeakPolarHBondContact CE1-OH 3.46Å; Y467-Y469 HydrophobicContact CE2-CE1 4.32Å; Y467-Y469 AromaticContact CZ-CE1 3.55Å; Y467-Y469 AromaticContact CZ-CZ 3.62Å; Y467-Y469 WeakPolarHBondContact OH-CE1 3.42Å; Y467-Y469 PolarHBondContact OH-OH 3.24Å; Y467-E498 PolarHBondContact OH-OE2 3Å; Y467-P501 HydrophobicContact CD2-CB 3.66Å; Y467-P501 HydrophobicContact CD2-CG 3.97Å; Y467-P501 HydrophobicContact CE2-CB 4.03Å; Y467-P501 HydrophobicContact CE2-CG 4.11Å; Y467-K506 WeakPolarHBondContact CB-O 3.31Å; Y467-H507 AromaticContact CE2-CD2 3.59Å; Y467-H507 AromaticContact CE2-NE2 3.99Å; Y467-P508 HydrophobicContact CD1-CG 3.96Å; Y467-P508 VanDerWaalsContact CD2-CD 3.48Å; Y467-P508 HydrophobicContact CE1-CG 3.59Å; Y467-P508 VanDerWaalsContact CE2-CD 3.4Å; Y467-P508 HydrophobicContact CE2-CG 4.25Å; Y467-P508 HydrophobicContact CG-CG 4.39Å; Y467-P508 VanDerWaalsContact CZ-CD 3.43Å
468	S	90.8	Very high	95.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.9	-166.3	-56.5	0	0	0	0	111	R445 K446 D466 Y504	R445-S468 WeakPolarHBondContact CD-OG 3.37Å; R445-S468 PolarHBondContact NH1-OG 3.5Å; K446-S468 WeakPolarHBondContact O-CA 3.29Å; D466-S468 PolarHBondContact O-N 3.33Å; D466-S468 PolarHBondContact O-OG 3.01Å; S468-Y504 PolarHBondContact OG-OH 3.43Å
469	Y	88.7	Confident	95.6	Very high	5 Å²	5	29 Å²	29	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	170.5	162.8	-56.8	-63.4	0	0	0	110	F376 K446 V448 Y467 E498 K566	F376-Y469 HydrophobicContact CE2-CE1 4.27Å; F376-Y469 HydrophobicContact CE2-CE2 4.1Å; F376-Y469 AromaticContact CE2-CZ 3.6Å; F376-Y469 WeakPolarHBondContact CE2-OH 3.27Å; F376-Y469 AromaticContact CZ-CE2 3.95Å; F376-Y469 HydrophobicContact CZ-CE2 3.95Å; F376-Y469 AromaticContact CZ-CZ 3.82Å; F376-Y469 VanDerWaalsContact CZ-OH 3.28Å; F376-Y469 WeakPolarHBondContact CZ-OH 3.38Å; K446-Y469 HydrophobicContact CD-CD2 4.37Å; K446-Y469 PolarHBondContact N-O 3.45Å; K446-Y469 PolarHBondContact O-N 3.42Å; V448-Y469 HydrophobicContact CG2-CD2 3.66Å; V448-Y469 HydrophobicContact CG2-CE2 3.56Å; Y467-Y469 AromaticContact CE1-CE1 3.99Å; Y467-Y469 HydrophobicContact CE1-CE1 3.99Å; Y467-Y469 HydrophobicContact CE1-CE2 4.19Å; Y467-Y469 AromaticContact CE1-CZ 3.56Å; Y467-Y469 WeakPolarHBondContact CE1-OH 3.46Å; Y467-Y469 HydrophobicContact CE2-CE1 4.32Å; Y467-Y469 AromaticContact CZ-CE1 3.55Å; Y467-Y469 AromaticContact CZ-CZ 3.62Å; Y467-Y469 WeakPolarHBondContact OH-CE1 3.42Å; Y467-Y469 PolarHBondContact OH-OH 3.24Å; Y469-E498 WeakPolarHBondContact CE1-OE1 3.27Å; Y469-K566 HydrophobicContact CD1-CD 3.74Å; Y469-K566 HydrophobicContact CD1-CG 3.86Å; Y469-K566 HydrophobicContact CD2-CG 3.88Å; Y469-K566 HydrophobicContact CE1-CD 3.88Å; Y469-K566 HydrophobicContact CE1-CG 4.09Å; Y469-K566 HydrophobicContact CE2-CG 4.14Å; Y469-K566 HydrophobicContact CG-CD 4.11Å; Y469-K566 HydrophobicContact CG-CG 3.71Å
470	W	90	Very high	95.8	Very high	36 Å²	36	28.8 Å²	28.8	14%	0.136	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.6	138.5	-179.3	-50.9	-20.4	0	0	0	115.2	K446 L472 D497 P533 Y536 T567	K446-W470 HydrophobicContact CB-CD2 3.64Å; K446-W470 HydrophobicContact CB-CE3 3.54Å; K446-W470 HydrophobicContact CB-CG 4.07Å; K446-W470 HydrophobicContact CB-CZ3 4.01Å; K446-W470 HydrophobicContact CD-CD2 4.42Å; K446-W470 HydrophobicContact CD-CH2 4.25Å; K446-W470 HydrophobicContact CD-CZ2 4.1Å; K446-W470 HydrophobicContact CD-CZ3 4.47Å; K446-W470 HydrophobicContact CG-CE3 4.48Å; W470-L472 HydrophobicContact CB-CD2 4.24Å; W470-L472 HydrophobicContact CB-CG 3.98Å; W470-L472 HydrophobicContact CE3-CD1 4.02Å; W470-L472 HydrophobicContact CE3-CG 4.42Å; W470-D497 VanDerWaalsContact N-CB 3.34Å; W470-D497 PolarHBondContact N-OD2 2.78Å; W470-P533 HydrophobicContact CH2-CG 4.43Å; W470-P533 HydrophobicContact CZ3-CG 3.82Å; W470-Y536 AromaticContact CH2-CD1 3.97Å; W470-Y536 HydrophobicContact CH2-CD1 3.97Å; W470-Y536 HydrophobicContact CZ3-CD1 4.09Å; W470-Y536 HydrophobicContact CZ3-CE1 4.26Å; W470-T567 HydrophobicContact CZ2-CG2 4.32Å; W470-T567 WeakPolarHBondContact CZ2-O 3.43Å
471	T	90.8	Very high	96	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.025	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	30	179.6	38	0	0	0	0	112.9	E411 S473 Y474 V496 D497 L500	E411-T471 WeakPolarHBondContact OE1-CB 3.31Å; E411-T471 PolarHBondContact OE1-OG1 3.1Å; T471-S473 PolarHBondContact O-N 3.03Å; T471-Y474 HydrophobicContact CG2-CE1 4.4Å; T471-V496 HydrophobicContact CG2-CG1 3.91Å; T471-V496 HydrophobicContact CG2-CG2 4.24Å; T471-V496 WeakPolarHBondContact OG1-CG1 3.32Å; T471-D497 HydrophobicContact CG2-CB 4.24Å; T471-L500 HydrophobicContact CG2-CD1 3.62Å
472	L	95.3	Very high	96.2	Very high	6 Å²	6	19 Å²	19	3%	0.031	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-41.1	-49.9	-174.6	-55.8	178.5	0	0	0	113.2	E411 V414 W470 P533	E411-L472 PolarHBondContact N-O 2.88Å; V414-L472 HydrophobicContact CG1-CB 3.75Å; V414-L472 HydrophobicContact CG1-CD2 4.23Å; V414-L472 HydrophobicContact CG1-CG 4.5Å; V414-L472 WeakPolarHBondContact CG1-O 3.29Å; W470-L472 HydrophobicContact CB-CD2 4.24Å; W470-L472 HydrophobicContact CB-CG 3.98Å; W470-L472 HydrophobicContact CE3-CD1 4.02Å; W470-L472 HydrophobicContact CE3-CG 4.42Å; L472-P533 HydrophobicContact CD1-CB 4.16Å; L472-P533 HydrophobicContact CD1-CG 4.31Å; L472-P533 HydrophobicContact CD2-CB 4.3Å
473	S	98.3	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	138.8	172.4	-179	0	0	0	0	112.9	I409 F410 L443 G444 T471	I409-S473 WeakPolarHBondContact O-CA 3.33Å; I409-S473 WeakPolarHBondContact O-CB 3.15Å; I409-S473 PolarHBondContact O-OG 3.45Å; F410-S473 WeakPolarHBondContact CD1-OG 3.48Å; F410-S473 VanDerWaalsContact CE1-OG 3.25Å; F410-S473 WeakPolarHBondContact CE1-OG 3.34Å; L443-S473 PolarHBondContact N-O 3.08Å; G444-S473 PolarHBondContact N-O 2.89Å; G444-S473 PolarHBondContact O-N 3.42Å; T471-S473 PolarHBondContact O-N 3.03Å
474	Y	98.8	Very high	96.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	149.5	173.5	61.5	-87.5	0	0	0	111.8	H392 W396 I409 L440 I441 T471 I476	H392-Y474 AromaticContact CE1-CE1 3.71Å; H392-Y474 AromaticContact ND1-CE1 3.7Å; H392-Y474 AromaticContact ND1-CZ 3.68Å; H392-Y474 PolarHBondContact ND1-OH 3.17Å; W396-Y474 AromaticContact NE1-CZ 3.93Å; W396-Y474 PolarHBondContact NE1-OH 2.85Å; I409-Y474 HydrophobicContact CB-CE1 4.43Å; I409-Y474 HydrophobicContact CD1-CD2 4.15Å; I409-Y474 HydrophobicContact CD1-CE2 3.77Å; I409-Y474 HydrophobicContact CG1-CE2 4.42Å; I409-Y474 PolarHBondContact N-O 3.46Å; I409-Y474 PolarHBondContact O-N 3.35Å; L440-Y474 HydrophobicContact CD1-CD2 3.79Å; L440-Y474 HydrophobicContact CD1-CE2 4.16Å; L440-Y474 HydrophobicContact CD1-CG 4.27Å; L440-Y474 HydrophobicContact CG-CD2 4.05Å; L440-Y474 HydrophobicContact CG-CG 4.42Å; I441-Y474 CarbonylContact O-C 3.52Å; I441-Y474 WeakPolarHBondContact O-CA 3.35Å; I441-Y474 WeakPolarHBondContact O-CB 3.13Å; T471-Y474 HydrophobicContact CG2-CE1 4.4Å; Y474-I476 HydrophobicContact CD2-CB 4.17Å; Y474-I476 HydrophobicContact CE2-CB 4.1Å; Y474-I476 HydrophobicContact CE2-CD1 4.32Å; Y474-I476 HydrophobicContact CE2-CG2 4.47Å
475	A	98.8	Very high	96.3	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	146	163.1	0	0	0	0	0	109.6	F316 A407 L408 W438 L440 I441 L443	F316-A475 HydrophobicContact CE1-CB 3.76Å; F316-A475 HydrophobicContact CZ-CB 4.2Å; A407-A475 CarbonylContact O-C 3.54Å; A407-A475 VanDerWaalsContact O-CA 3.28Å; A407-A475 WeakPolarHBondContact O-CA 3.39Å; L408-A475 HydrophobicContact CD1-CB 4.3Å; W438-A475 HydrophobicContact CH2-CB 4.06Å; W438-A475 HydrophobicContact CZ3-CB 4.05Å; L440-A475 WeakPolarHBondContact CA-O 3.42Å; I441-A475 HydrophobicContact CB-CB 4.37Å; I441-A475 PolarHBondContact N-O 3.33Å; I441-A475 PolarHBondContact O-N 2.83Å; L443-A475 HydrophobicContact CD1-CB 4.27Å
476	I	98.8	Very high	96.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.2	176.9	-164.8	170	0	0	0	110.1	W396 K406 A407 I409 D439 Y474 A481 L484	W396-I476 HydrophobicContact CG-CD1 4.33Å; K406-I476 VanDerWaalsContact CA-O 3.32Å; K406-I476 WeakPolarHBondContact CA-O 3.25Å; A407-I476 HydrophobicContact CB-CG2 4.27Å; A407-I476 PolarHBondContact N-O 3.21Å; A407-I476 PolarHBondContact O-N 3.47Å; I409-I476 HydrophobicContact CD1-CB 4.41Å; I409-I476 HydrophobicContact CD1-CG2 3.6Å; D439-I476 WeakPolarHBondContact O-CA 3.31Å; D439-I476 WeakPolarHBondContact O-CG1 3.14Å; Y474-I476 HydrophobicContact CD2-CB 4.17Å; Y474-I476 HydrophobicContact CE2-CB 4.1Å; Y474-I476 HydrophobicContact CE2-CD1 4.32Å; Y474-I476 HydrophobicContact CE2-CG2 4.47Å; I476-A481 HydrophobicContact CD1-CB 3.93Å; I476-A481 HydrophobicContact CG1-CB 4.35Å; I476-L484 HydrophobicContact CD1-CD1 3.72Å
477	S	98.8	Very high	96.5	Very high	13 Å²	13	23.4 Å²	23.4	9%	0.091	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	162	171.5	73.6	0	0	0	0	110.9	D405 W438 D439 Q479 G480 A481	D405-S477 CarbonylContact O-C 3.23Å; D405-S477 WeakPolarHBondContact O-CA 3.4Å; W438-S477 PolarHBondContact O-OG 2.8Å; W438-S477 VanDerWaalsContact O-OG 3.06Å; D439-S477 WeakPolarHBondContact CA-OG 3.48Å; D439-S477 PolarHBondContact O-N 3.04Å; S477-Q479 PolarHBondContact O-N 3.19Å; S477-G480 PolarHBondContact O-N 3.23Å; S477-G480 VanDerWaalsContact O-N 3.15Å; S477-G480 PolarHBondContact OG-N 3.36Å; S477-G480 VanDerWaalsContact OG-N 3.1Å; S477-A481 PolarHBondContact O-N 3.28Å
478	Q	98.6	Very high	96.6	Very high	65 Å²	65	29.3 Å²	29.3	30%	0.304	14%	0.143	S	C	.	.	H	α-helix	trans	-52.7	-44.6	172.4	-157.7	-169.8	21.1	0	0	112	Q403 M404 D405 G480 A481 Q482	Q403-Q478 VanDerWaalsContact CA-NE2 3.34Å; M404-Q478 WeakPolarHBondContact O-CB 3.33Å; M404-Q478 WeakPolarHBondContact O-CG 3.45Å; D405-Q478 PolarHBondContact O-N 2.86Å; Q478-G480 VanDerWaalsContact C-N 3.34Å; Q478-G480 PolarHBondContact O-N 2.96Å; Q478-A481 PolarHBondContact O-N 3.3Å; Q478-Q482 PolarHBondContact O-N 2.78Å
479	Q	98.4	Very high	96.8	Very high	94 Å²	94	29.3 Å²	29.3	44%	0.439	14%	0.143	S	C	.	.	H	α-helix	trans	-63.4	-42.8	-179.8	-169.7	-169.1	65.5	0	0	110.9	D439 S477 Q482 K483	D439-Q479 PolarHBondContact OD1-OE1 2.53Å; D439-Q479 VanDerWaalsContact OD1-OE1 3.04Å; S477-Q479 PolarHBondContact O-N 3.19Å; Q479-Q482 PolarHBondContact O-N 3.01Å; Q479-K483 VanDerWaalsContact CD-NZ 3.34Å; Q479-K483 HydrophobicContact CG-CD 4.39Å; Q479-K483 WeakPolarHBondContact O-CG 3.34Å; Q479-K483 PolarHBondContact O-N 3.45Å
480	G	98.6	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-49.7	175.5	0	0	0	0	0	111.9	D439 S477 Q478 Q482 K483 L484	D439-G480 WeakPolarHBondContact OD1-CA 3.4Å; D439-G480 PolarHBondContact OD1-N 2.76Å; S477-G480 PolarHBondContact O-N 3.23Å; S477-G480 VanDerWaalsContact O-N 3.15Å; S477-G480 PolarHBondContact OG-N 3.36Å; S477-G480 VanDerWaalsContact OG-N 3.1Å; Q478-G480 VanDerWaalsContact C-N 3.34Å; Q478-G480 PolarHBondContact O-N 2.96Å; G480-Q482 VanDerWaalsContact C-N 3.32Å; G480-Q482 PolarHBondContact O-N 3.47Å; G480-K483 PolarHBondContact O-N 3.26Å; G480-L484 WeakPolarHBondContact O-CG 3.22Å; G480-L484 PolarHBondContact O-N 3.42Å
481	A	98.8	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-44.8	176.8	0	0	0	0	0	111.7	W396 V399 V400 I476 S477 Q478 K483 L484 L485	W396-A481 HydrophobicContact CB-CB 4.08Å; V399-A481 HydrophobicContact CB-CB 4.2Å; V399-A481 HydrophobicContact CG1-CB 3.82Å; V400-A481 HydrophobicContact CG2-CB 3.88Å; I476-A481 HydrophobicContact CD1-CB 3.93Å; I476-A481 HydrophobicContact CG1-CB 4.35Å; S477-A481 PolarHBondContact O-N 3.28Å; Q478-A481 PolarHBondContact O-N 3.3Å; A481-K483 PolarHBondContact O-N 3.44Å; A481-L484 PolarHBondContact O-N 2.99Å; A481-L485 WeakPolarHBondContact O-CG 3.27Å; A481-L485 PolarHBondContact O-N 3.49Å
482	Q	98.7	Very high	97.3	Very high	72 Å²	72	33 Å²	33	34%	0.336	17%	0.168	S	C	.	.	H	α-helix	trans	-62.6	-42.5	177.2	-172.4	66.6	72.8	0	0	112.7	V400 Q478 Q479 G480 L484 L485 N486	V400-Q482 HydrophobicContact CG2-CB 4.09Å; Q478-Q482 PolarHBondContact O-N 2.78Å; Q479-Q482 PolarHBondContact O-N 3.01Å; G480-Q482 VanDerWaalsContact C-N 3.32Å; G480-Q482 PolarHBondContact O-N 3.47Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; Q482-L484 PolarHBondContact O-N 2.66Å; Q482-L485 PolarHBondContact O-N 2.78Å; Q482-N486 PolarHBondContact NE2-OD1 3.38Å; Q482-N486 WeakPolarHBondContact O-CB 3.26Å; Q482-N486 PolarHBondContact O-N 3.09Å; Q482-N486 PolarHBondContact O-ND2 2.72Å; Q482-N486 PolarHBondContact O-OD1 3.2Å
483	K	98.6	Very high	97.2	Very high	34 Å²	34	32.7 Å²	32.7	15%	0.148	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-42.8	175.9	-75.5	168.3	179.2	161.3	0	111.3	D439 Q479 G480 A481 A487 L521	D439-K483 WeakPolarHBondContact OD1-CD 3.22Å; D439-K483 IonicContact OD1-NZ 3.79Å; D439-K483 PolarHBondContact OD1-NZ 2.77Å; D439-K483 WeakPolarHBondContact OD2-CD 3.39Å; D439-K483 IonicContact OD2-NZ 3.72Å; D439-K483 PolarHBondContact OD2-NZ 2.71Å; Q479-K483 VanDerWaalsContact CD-NZ 3.34Å; Q479-K483 HydrophobicContact CG-CD 4.39Å; Q479-K483 WeakPolarHBondContact O-CG 3.34Å; Q479-K483 PolarHBondContact O-N 3.45Å; G480-K483 PolarHBondContact O-N 3.26Å; A481-K483 PolarHBondContact O-N 3.44Å; K483-A487 PolarHBondContact O-N 3.43Å; K483-L521 HydrophobicContact CB-CD1 4.12Å; K483-L521 HydrophobicContact CD-CD1 4.29Å
484	L	98.5	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-41.9	177.4	-63.7	-179.1	0	0	0	112.3	W396 I476 G480 A481 Q482 A487 P489 F499 L500 M503 L521	W396-L484 HydrophobicContact CD2-CB 4.29Å; W396-L484 HydrophobicContact CD2-CD1 3.82Å; W396-L484 HydrophobicContact CE3-CB 3.92Å; W396-L484 HydrophobicContact CE3-CD1 4.13Å; W396-L484 HydrophobicContact CG-CD1 4.4Å; W396-L484 HydrophobicContact CH2-CD1 4.09Å; W396-L484 HydrophobicContact CZ2-CD1 3.75Å; W396-L484 HydrophobicContact CZ3-CB 4.17Å; W396-L484 HydrophobicContact CZ3-CD1 4.27Å; I476-L484 HydrophobicContact CD1-CD1 3.72Å; G480-L484 WeakPolarHBondContact O-CG 3.22Å; G480-L484 PolarHBondContact O-N 3.42Å; A481-L484 PolarHBondContact O-N 2.99Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; Q482-L484 PolarHBondContact O-N 2.66Å; L484-A487 VanDerWaalsContact O-CB 3.29Å; L484-A487 WeakPolarHBondContact O-CB 3.38Å; L484-A487 PolarHBondContact O-N 2.88Å; L484-P489 WeakPolarHBondContact O-CD 3.49Å; L484-F499 HydrophobicContact CB-CE1 4.25Å; L484-F499 HydrophobicContact CD2-CE1 3.78Å; L484-F499 HydrophobicContact CD2-CZ 4.14Å; L484-F499 HydrophobicContact CG-CE1 4.48Å; L484-L500 HydrophobicContact CD1-CD2 3.63Å; L484-L500 HydrophobicContact CD2-CD2 3.8Å; L484-L500 HydrophobicContact CG-CD2 4.39Å; L484-M503 HydrophobicContact CD2-CB 3.88Å; L484-M503 HydrophobicContact CD2-CG 3.76Å; L484-L521 HydrophobicContact CD2-CD1 4.01Å; L484-L521 HydrophobicContact CD2-CD2 3.93Å; L484-L521 HydrophobicContact CG-CD1 4.19Å
485	L	98.3	Very high	96.7	Very high	27 Å²	27	33 Å²	33	14%	0.141	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-41.6	177.6	-66.7	172.6	0	0	0	112.2	Y393 W396 K397 V400 A481 Q482 A487 E488	Y393-L485 HydrophobicContact CD2-CD2 3.7Å; Y393-L485 HydrophobicContact CE2-CD2 3.32Å; W396-L485 HydrophobicContact CB-CD2 4.2Å; W396-L485 HydrophobicContact CB-CG 4.25Å; K397-L485 HydrophobicContact CB-CD1 4.45Å; K397-L485 HydrophobicContact CB-CD2 4.43Å; V400-L485 HydrophobicContact CB-CD1 4.16Å; V400-L485 HydrophobicContact CG2-CD1 3.83Å; A481-L485 WeakPolarHBondContact O-CG 3.27Å; A481-L485 PolarHBondContact O-N 3.49Å; Q482-L485 PolarHBondContact O-N 2.78Å; L485-A487 PolarHBondContact O-N 2.94Å; L485-A487 VanDerWaalsContact O-N 3.14Å; L485-E488 PolarHBondContact O-N 3.46Å
486	N	97.9	Very high	96.6	Very high	110 Å²	110	33.1 Å²	33.1	59%	0.588	17%	0.169	S	C	*	.	H	α-helix	trans	-64.5	-15.2	178.2	-72.1	-7.6	0	0	0	113.3	Q482 E488	Q482-N486 PolarHBondContact NE2-OD1 3.38Å; Q482-N486 WeakPolarHBondContact O-CB 3.26Å; Q482-N486 PolarHBondContact O-N 3.09Å; Q482-N486 PolarHBondContact O-ND2 2.72Å; Q482-N486 PolarHBondContact O-OD1 3.2Å; N486-E488 PolarHBondContact O-N 2.95Å
487	A	96.9	Very high	96.2	Very high	12 Å²	12	34 Å²	34	10%	0.099	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.5	173.5	0	0	0	0	0	112.9	K483 L484 L485 K492 F499 M503 F516	K483-A487 PolarHBondContact O-N 3.43Å; L484-A487 VanDerWaalsContact O-CB 3.29Å; L484-A487 WeakPolarHBondContact O-CB 3.38Å; L484-A487 PolarHBondContact O-N 2.88Å; L485-A487 PolarHBondContact O-N 2.94Å; L485-A487 VanDerWaalsContact O-N 3.14Å; A487-K492 WeakPolarHBondContact O-CE 3.42Å; A487-K492 PolarHBondContact O-NZ 2.96Å; A487-F499 HydrophobicContact CB-CE2 4.1Å; A487-F499 HydrophobicContact CB-CZ 3.98Å; A487-M503 HydrophobicContact CB-CE 3.59Å; A487-M503 HydrophobicContact CB-SD 3.75Å; A487-F516 HydrophobicContact CB-CD1 4.13Å; A487-F516 HydrophobicContact CB-CE1 4.44Å
488	E	95.8	Very high	96	Very high	134 Å²	134	33.4 Å²	33.4	63%	0.626	17%	0.17	S	C	*	.			trans	50.8	56.7	-173.6	-61.1	-177.9	162.7	0	0	111.9	L485 N486 L490 S491	L485-E488 PolarHBondContact O-N 3.46Å; N486-E488 PolarHBondContact O-N 2.95Å; E488-L490 PolarHBondContact O-N 3.06Å; E488-S491 PolarHBondContact O-N 2.86Å; E488-S491 PolarHBondContact O-OG 3.29Å; E488-S491 VanDerWaalsContact O-OG 3.09Å
489	P	95.1	Very high	95.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.013	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.7	-21.4	-168.9	26.3	-34.6	0	0	0	114.2	F389 Y393 L484 K492 M493 F499	F389-P489 HydrophobicContact CE1-CB 3.82Å; F389-P489 HydrophobicContact CE1-CG 4.04Å; F389-P489 HydrophobicContact CZ-CB 3.51Å; F389-P489 HydrophobicContact CZ-CG 4.1Å; Y393-P489 HydrophobicContact CD2-CG 4.04Å; Y393-P489 HydrophobicContact CE2-CG 4.18Å; L484-P489 WeakPolarHBondContact O-CD 3.49Å; P489-K492 CarbonylContact O-C 3.52Å; P489-K492 VanDerWaalsContact O-C 3.31Å; P489-K492 PolarHBondContact O-N 2.83Å; P489-M493 VanDerWaalsContact O-CA 3.32Å; P489-M493 WeakPolarHBondContact O-CA 3.49Å; P489-M493 PolarHBondContact O-N 3.24Å; P489-M493 VanDerWaalsContact O-N 3.14Å; P489-F499 HydrophobicContact CB-CD2 4.44Å; P489-F499 HydrophobicContact CB-CE1 4.21Å; P489-F499 HydrophobicContact CB-CE2 3.88Å; P489-F499 HydrophobicContact CB-CZ 3.75Å; P489-F499 HydrophobicContact CG-CZ 4.21Å
490	L	94.8	Very high	95.9	Very high	26 Å²	26	25.9 Å²	25.9	14%	0.136	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-67.2	-37.2	-177.9	-59.1	-174.2	0	0	0	112.1	G365 V366 D367 F389 L390 Y393 E488 K492 M493	G365-L490 CarbonylContact O-C 3.56Å; V366-L490 CarbonylContact C-O 3.46Å; V366-L490 VanDerWaalsContact CA-O 3.28Å; V366-L490 WeakPolarHBondContact CA-O 3.46Å; V366-L490 HydrophobicContact CG2-CD2 4.45Å; D367-L490 PolarHBondContact N-O 2.87Å; F389-L490 HydrophobicContact CE1-CD2 4.49Å; L390-L490 HydrophobicContact CD2-CD2 3.73Å; Y393-L490 HydrophobicContact CD1-CD1 4.41Å; Y393-L490 HydrophobicContact CD1-CD2 4.39Å; Y393-L490 HydrophobicContact CD2-CD2 4.05Å; Y393-L490 HydrophobicContact CD2-CG 4.27Å; Y393-L490 HydrophobicContact CE1-CD1 3.88Å; Y393-L490 HydrophobicContact CE1-CG 4.49Å; Y393-L490 HydrophobicContact CE2-CD1 4.13Å; Y393-L490 HydrophobicContact CE2-CD2 4.26Å; Y393-L490 HydrophobicContact CE2-CG 3.97Å; Y393-L490 HydrophobicContact CG-CD2 4.12Å; E488-L490 PolarHBondContact O-N 3.06Å; L490-K492 PolarHBondContact O-N 2.82Å; L490-M493 HydrophobicContact CD2-CE 3.61Å
491	S	92.9	Very high	95.8	Very high	56 Å²	56	25.9 Å²	25.9	39%	0.392	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-78.1	0.1	-179	60.4	0	0	0	0	114.2	D367 E488	D367-S491 WeakPolarHBondContact CB-O 3.33Å; D367-S491 CarbonylContact O-C 3.34Å; E488-S491 PolarHBondContact O-N 2.86Å; E488-S491 PolarHBondContact O-OG 3.29Å; E488-S491 VanDerWaalsContact O-OG 3.09Å
492	K	92.5	Very high	95.7	Very high	39 Å²	39	25.9 Å²	25.9	17%	0.17	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-157.9	51.6	-176.7	51.4	-179.8	171.4	-175.1	0	110.5	D367 L369 A487 P489 L490 H515 F516	D367-K492 CarbonylContact O-C 3.52Å; D367-K492 WeakPolarHBondContact O-CA 3.37Å; D367-K492 PolarHBondContact O-N 3.24Å; L369-K492 HydrophobicContact CD1-CB 3.79Å; A487-K492 WeakPolarHBondContact O-CE 3.42Å; A487-K492 PolarHBondContact O-NZ 2.96Å; P489-K492 CarbonylContact O-C 3.52Å; P489-K492 VanDerWaalsContact O-C 3.31Å; P489-K492 PolarHBondContact O-N 2.83Å; L490-K492 PolarHBondContact O-N 2.82Å; K492-H515 HydrophobicContact CD-CB 4.4Å; K492-H515 PolarHBondContact NZ-O 2.75Å; K492-F516 HydrophobicContact CB-CZ 4.49Å; K492-F516 HydrophobicContact CD-CD1 4.17Å; K492-F516 HydrophobicContact CD-CE1 3.62Å; K492-F516 HydrophobicContact CD-CE2 4.34Å; K492-F516 HydrophobicContact CD-CZ 3.73Å; K492-F516 HydrophobicContact CG-CE1 3.89Å; K492-F516 HydrophobicContact CG-CZ 3.79Å
493	M	93.9	Very high	95.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-71.3	145.2	-173.4	-168.2	179	-74.8	0	0	111.6	V366 D367 L369 L381 V386 F389 L390 P489 L490	V366-M493 HydrophobicContact CB-CE 4.22Å; V366-M493 HydrophobicContact CG1-CB 4.15Å; V366-M493 HydrophobicContact CG1-CE 3.61Å; V366-M493 HydrophobicContact CG1-SD 3.59Å; V366-M493 VanDerWaalsContact CG1-SD 3.59Å; V366-M493 HydrophobicContact CG2-CE 3.61Å; D367-M493 PolarHBondContact O-N 3.37Å; L369-M493 WeakPolarHBondContact CB-O 3.44Å; L369-M493 PolarHBondContact N-O 3.02Å; L381-M493 HydrophobicContact CD1-CB 4.18Å; L381-M493 HydrophobicContact CD1-CG 3.99Å; L381-M493 WeakPolarHBondContact CD1-O 3.32Å; L381-M493 HydrophobicContact CD1-SD 4.49Å; V386-M493 HydrophobicContact CB-SD 4.26Å; V386-M493 HydrophobicContact CG1-SD 4.07Å; V386-M493 HydrophobicContact CG2-SD 4.05Å; F389-M493 HydrophobicContact CB-CE 4.26Å; F389-M493 HydrophobicContact CB-SD 4Å; F389-M493 HydrophobicContact CD1-CE 3.7Å; F389-M493 HydrophobicContact CD1-CG 4.43Å; F389-M493 HydrophobicContact CD1-SD 4.36Å; F389-M493 HydrophobicContact CD2-CG 4.13Å; F389-M493 HydrophobicContact CE1-CE 4.38Å; F389-M493 HydrophobicContact CG-CE 4.04Å; F389-M493 HydrophobicContact CG-CG 4.09Å; F389-M493 HydrophobicContact CG-SD 4.09Å; L390-M493 HydrophobicContact CD2-CE 4.13Å; L390-M493 HydrophobicContact CG-CE 4.31Å; P489-M493 VanDerWaalsContact O-CA 3.32Å; P489-M493 WeakPolarHBondContact O-CA 3.49Å; P489-M493 PolarHBondContact O-N 3.24Å; P489-M493 VanDerWaalsContact O-N 3.14Å; L490-M493 HydrophobicContact CD2-CE 3.61Å
494	L	93.9	Very high	95.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.115	C	C	.	.			trans	-149.1	168.2	168.2	55	112.1	0	0	0	106.4	L369 Y372 F389 V496 E498 F499 I502 F516	L369-L494 HydrophobicContact CB-CD2 4.02Å; L369-L494 HydrophobicContact CD1-CD2 4.37Å; L369-L494 HydrophobicContact CD2-CD2 3.54Å; L369-L494 HydrophobicContact CG-CD2 4.16Å; Y372-L494 HydrophobicContact CD2-CB 3.81Å; Y372-L494 HydrophobicContact CE2-CB 3.98Å; Y372-L494 HydrophobicContact CG-CB 4.21Å; F389-L494 WeakPolarHBondContact CD2-O 3.48Å; F389-L494 WeakPolarHBondContact CE2-O 3.44Å; L494-V496 PolarHBondContact O-N 3.43Å; L494-E498 VanDerWaalsContact CD1-C 3.41Å; L494-E498 HydrophobicContact CD1-CB 3.21Å; L494-E498 HydrophobicContact CD1-CG 4.39Å; L494-F499 HydrophobicContact CD1-CB 3.87Å; L494-F499 HydrophobicContact CG-CB 4.27Å; L494-I502 HydrophobicContact CD1-CD1 3.92Å; L494-I502 HydrophobicContact CD2-CD1 3.85Å; L494-F516 HydrophobicContact CD2-CE2 3.88Å; L494-F516 HydrophobicContact CD2-CZ 4.09Å
495	P	92.9	Very high	95.5	Very high	4 Å²	4	25 Å²	25	3%	0.026	13%	0.133	C	C	.	.			trans	-53.2	143.1	-177.8	-28.9	37.4	0	0	0	112.4	Y372 L381 E385 D497 E498 F499	Y372-P495 HydrophobicContact CE1-CG 4.39Å; Y372-P495 WeakPolarHBondContact OH-CD 3.1Å; Y372-P495 WeakPolarHBondContact OH-CG 3.37Å; L381-P495 HydrophobicContact CD2-CG 3.81Å; E385-P495 HydrophobicContact CG-CG 4.36Å; P495-D497 WeakPolarHBondContact CB-OD1 3.43Å; P495-D497 PolarHBondContact O-N 2.68Å; P495-D497 VanDerWaalsContact O-N 3.12Å; P495-E498 HydrophobicContact CB-CG 4.22Å; P495-E498 HydrophobicContact CG-CG 4.45Å; P495-E498 PolarHBondContact O-N 3.27Å; P495-F499 PolarHBondContact O-N 3.21Å
496	V	95.3	Very high	95.4	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-57.6	-34.3	-173.5	63.4	0	0	0	0	112	F389 H392 W396 T471 L494 E498 F499 L500	F389-V496 HydrophobicContact CD2-CB 3.76Å; F389-V496 HydrophobicContact CD2-CG2 4.37Å; F389-V496 HydrophobicContact CE2-CB 4.24Å; F389-V496 HydrophobicContact CE2-CG2 4.48Å; F389-V496 HydrophobicContact CG-CB 4.4Å; H392-V496 HydrophobicContact CB-CG2 4.33Å; W396-V496 HydrophobicContact CH2-CG2 3.94Å; W396-V496 HydrophobicContact CZ2-CG2 3.99Å; T471-V496 HydrophobicContact CG2-CG1 3.91Å; T471-V496 HydrophobicContact CG2-CG2 4.24Å; T471-V496 WeakPolarHBondContact OG1-CG1 3.32Å; L494-V496 PolarHBondContact O-N 3.43Å; V496-E498 VanDerWaalsContact C-N 3.3Å; V496-E498 PolarHBondContact O-N 3.48Å; V496-F499 PolarHBondContact O-N 3.06Å; V496-L500 HydrophobicContact CG2-CD1 4.3Å; V496-L500 HydrophobicContact CG2-CG 4.33Å; V496-L500 WeakPolarHBondContact O-CG 3.13Å; V496-L500 PolarHBondContact O-N 3.44Å
497	D	91.6	Very high	95.2	Very high	18 Å²	18	23 Å²	23	10%	0.096	12%	0.118	C	C	.	.	H	α-helix	trans	-77	-12.3	179.8	71.6	-18.4	0	0	0	114.4	W470 T471 P495 P501 K566	W470-D497 VanDerWaalsContact N-CB 3.34Å; W470-D497 PolarHBondContact N-OD2 2.78Å; T471-D497 HydrophobicContact CG2-CB 4.24Å; P495-D497 WeakPolarHBondContact CB-OD1 3.43Å; P495-D497 PolarHBondContact O-N 2.68Å; P495-D497 VanDerWaalsContact O-N 3.12Å; D497-P501 WeakPolarHBondContact O-CD 3.22Å; D497-P501 WeakPolarHBondContact O-CG 3.4Å; D497-K566 VanDerWaalsContact CG-NZ 3.32Å; D497-K566 IonicContact OD1-NZ 2.73Å; D497-K566 PolarHBondContact OD1-NZ 3.32Å; D497-K566 WeakPolarHBondContact OD2-CE 3.44Å; D497-K566 IonicContact OD2-NZ 3.54Å; D497-K566 PolarHBondContact OD2-NZ 2.88Å; D497-K566 VanDerWaalsContact OD2-NZ 3.11Å
498	E	93.9	Very high	95	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-93	-34.1	166.6	-59.4	-66.5	172.1	0	0	110.9	Y467 Y469 L494 P495 V496 P501 I502 H507 K566	Y467-E498 PolarHBondContact OH-OE2 3Å; Y469-E498 WeakPolarHBondContact CE1-OE1 3.27Å; L494-E498 VanDerWaalsContact CD1-C 3.41Å; L494-E498 HydrophobicContact CD1-CB 3.21Å; L494-E498 HydrophobicContact CD1-CG 4.39Å; P495-E498 HydrophobicContact CB-CG 4.22Å; P495-E498 HydrophobicContact CG-CG 4.45Å; P495-E498 PolarHBondContact O-N 3.27Å; V496-E498 VanDerWaalsContact C-N 3.3Å; V496-E498 PolarHBondContact O-N 3.48Å; E498-P501 WeakPolarHBondContact O-CD 3.44Å; E498-I502 WeakPolarHBondContact O-CG1 3.49Å; E498-I502 PolarHBondContact O-N 2.99Å; E498-H507 PolarHBondContact O-CD2 3.32Å; E498-H507 IonicContact OE2-CD2 3.58Å; E498-H507 IonicContact OE2-NE2 3.38Å; E498-H507 PolarHBondContact OE2-NE2 3.01Å; E498-K566 IonicContact OE1-NZ 2.76Å; E498-K566 PolarHBondContact OE1-NZ 3.41Å
499	F	96.9	Very high	94.8	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-67.1	-45.7	-178.8	169.3	-111.3	0	0	0	111.9	F389 W396 L484 A487 P489 L494 P495 V496 I502 M503 F516	F389-F499 HydrophobicContact CE2-CB 3.75Å; F389-F499 AromaticContact CE2-CD1 3.74Å; F389-F499 HydrophobicContact CE2-CD1 3.74Å; F389-F499 AromaticContact CE2-CG 3.8Å; F389-F499 HydrophobicContact CE2-CG 3.8Å; F389-F499 HydrophobicContact CZ-CB 4.44Å; F389-F499 AromaticContact CZ-CD1 3.65Å; F389-F499 HydrophobicContact CZ-CD1 3.65Å; F389-F499 HydrophobicContact CZ-CE1 4.01Å; F389-F499 AromaticContact CZ-CG 3.99Å; F389-F499 HydrophobicContact CZ-CG 3.99Å; W396-F499 AromaticContact CH2-CD1 4Å; W396-F499 HydrophobicContact CH2-CD1 4Å; W396-F499 AromaticContact CH2-CE1 3.86Å; W396-F499 HydrophobicContact CH2-CE1 3.86Å; W396-F499 HydrophobicContact CZ3-CD1 4.37Å; W396-F499 AromaticContact CZ3-CE1 3.85Å; W396-F499 HydrophobicContact CZ3-CE1 3.85Å; L484-F499 HydrophobicContact CB-CE1 4.25Å; L484-F499 HydrophobicContact CD2-CE1 3.78Å; L484-F499 HydrophobicContact CD2-CZ 4.14Å; L484-F499 HydrophobicContact CG-CE1 4.48Å; A487-F499 HydrophobicContact CB-CE2 4.1Å; A487-F499 HydrophobicContact CB-CZ 3.98Å; P489-F499 HydrophobicContact CB-CD2 4.44Å; P489-F499 HydrophobicContact CB-CE1 4.21Å; P489-F499 HydrophobicContact CB-CE2 3.88Å; P489-F499 HydrophobicContact CB-CZ 3.75Å; P489-F499 HydrophobicContact CG-CZ 4.21Å; L494-F499 HydrophobicContact CD1-CB 3.87Å; L494-F499 HydrophobicContact CG-CB 4.27Å; P495-F499 PolarHBondContact O-N 3.21Å; V496-F499 PolarHBondContact O-N 3.06Å; F499-I502 WeakPolarHBondContact O-CB 2.94Å; F499-I502 PolarHBondContact O-N 3.32Å; F499-I502 VanDerWaalsContact O-N 3.11Å; F499-M503 HydrophobicContact CD2-CG 4.05Å; F499-M503 HydrophobicContact CD2-SD 4.4Å; F499-M503 HydrophobicContact CE1-CG 4.06Å; F499-M503 HydrophobicContact CE2-CG 3.52Å; F499-M503 HydrophobicContact CE2-SD 3.59Å; F499-M503 VanDerWaalsContact CE2-SD 3.59Å; F499-M503 HydrophobicContact CZ-CG 3.53Å; F499-M503 HydrophobicContact CZ-SD 3.92Å; F499-M503 WeakPolarHBondContact O-CG 3.34Å; F499-M503 PolarHBondContact O-N 2.92Å; F499-M503 VanDerWaalsContact O-N 3.1Å; F499-F516 AromaticContact CD2-CE1 3.93Å; F499-F516 HydrophobicContact CD2-CE1 3.93Å; F499-F516 AromaticContact CD2-CZ 3.97Å; F499-F516 HydrophobicContact CD2-CZ 3.97Å; F499-F516 HydrophobicContact CE2-CD1 4.07Å; F499-F516 AromaticContact CE2-CE1 3.56Å; F499-F516 HydrophobicContact CE2-CE1 3.56Å; F499-F516 HydrophobicContact CE2-CZ 4.09Å
500	L	97.6	Very high	94.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-50.9	179.5	-65.6	174.9	0	0	0	111.5	W396 L440 Y442 T471 L484 V496 I502 M503 Y504	W396-L500 HydrophobicContact CH2-CD2 4.43Å; W396-L500 HydrophobicContact CZ2-CD2 4.16Å; L440-L500 HydrophobicContact CD1-CD1 4.1Å; L440-L500 HydrophobicContact CD1-CD2 4.02Å; Y442-L500 HydrophobicContact CE1-CD1 4.37Å; Y442-L500 WeakPolarHBondContact OH-CB 3.25Å; Y442-L500 WeakPolarHBondContact OH-CD1 3.43Å; T471-L500 HydrophobicContact CG2-CD1 3.62Å; L484-L500 HydrophobicContact CD1-CD2 3.63Å; L484-L500 HydrophobicContact CD2-CD2 3.8Å; L484-L500 HydrophobicContact CG-CD2 4.39Å; V496-L500 HydrophobicContact CG2-CD1 4.3Å; V496-L500 HydrophobicContact CG2-CG 4.33Å; V496-L500 WeakPolarHBondContact O-CG 3.13Å; V496-L500 PolarHBondContact O-N 3.44Å; L500-I502 VanDerWaalsContact C-N 3.26Å; L500-I502 PolarHBondContact O-N 2.88Å; L500-M503 WeakPolarHBondContact O-CB 3.42Å; L500-M503 PolarHBondContact O-N 2.89Å; L500-Y504 VanDerWaalsContact C-CD1 3.46Å; L500-Y504 HydrophobicContact CB-CE1 4.22Å; L500-Y504 WeakPolarHBondContact O-CD1 3.47Å; L500-Y504 WeakPolarHBondContact O-CE1 3.25Å; L500-Y504 PolarHBondContact O-N 3.04Å
501	P	96.8	Very high	94.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-29.8	173.6	-21	26.6	0	0	0	116.6	Y467 D497 E498 Y504 D505 K506 H507	Y467-P501 HydrophobicContact CD2-CB 3.66Å; Y467-P501 HydrophobicContact CD2-CG 3.97Å; Y467-P501 HydrophobicContact CE2-CB 4.03Å; Y467-P501 HydrophobicContact CE2-CG 4.11Å; D497-P501 WeakPolarHBondContact O-CD 3.22Å; D497-P501 WeakPolarHBondContact O-CG 3.4Å; E498-P501 WeakPolarHBondContact O-CD 3.44Å; P501-Y504 HydrophobicContact CB-CE1 4.18Å; P501-Y504 HydrophobicContact CB-CE2 4.28Å; P501-Y504 HydrophobicContact CG-CE1 4.25Å; P501-Y504 WeakPolarHBondContact CG-OH 3.36Å; P501-Y504 VanDerWaalsContact N-CE1 3.29Å; P501-D505 PolarHBondContact O-N 2.96Å; P501-K506 PolarHBondContact O-N 3.49Å; P501-H507 HydrophobicContact CB-CB 4.21Å; P501-H507 PolarHBondContact O-N 3.26Å; P501-H507 VanDerWaalsContact O-N 3.11Å
502	I	97.3	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-47	171.4	-69.4	169.8	0	0	0	109.2	L494 E498 F499 L500 Y504 D505 H507 K513 F516 R519	L494-I502 HydrophobicContact CD1-CD1 3.92Å; L494-I502 HydrophobicContact CD2-CD1 3.85Å; E498-I502 WeakPolarHBondContact O-CG1 3.49Å; E498-I502 PolarHBondContact O-N 2.99Å; F499-I502 WeakPolarHBondContact O-CB 2.94Å; F499-I502 PolarHBondContact O-N 3.32Å; F499-I502 VanDerWaalsContact O-N 3.11Å; L500-I502 VanDerWaalsContact C-N 3.26Å; L500-I502 PolarHBondContact O-N 2.88Å; I502-Y504 VanDerWaalsContact C-N 3.27Å; I502-Y504 PolarHBondContact O-N 3.48Å; I502-D505 WeakPolarHBondContact O-CA 3.25Å; I502-D505 PolarHBondContact O-N 3.4Å; I502-H507 HydrophobicContact CB-CB 4.32Å; I502-H507 HydrophobicContact CG1-CB 3.51Å; I502-K513 HydrophobicContact CG1-CG 4.18Å; I502-K513 HydrophobicContact CG2-CG 4.17Å; I502-F516 HydrophobicContact CD1-CD2 4.34Å; I502-F516 HydrophobicContact CD1-CE2 4.16Å; I502-F516 HydrophobicContact CG2-CB 3.81Å; I502-F516 HydrophobicContact CG2-CD2 3.52Å; I502-F516 HydrophobicContact CG2-CE2 4.28Å; I502-F516 HydrophobicContact CG2-CG 3.81Å; I502-R519 HydrophobicContact CG2-CG 4.38Å; I502-R519 WeakPolarHBondContact O-CB 3.33Å; I502-R519 WeakPolarHBondContact O-CD 3.42Å; I502-R519 VanDerWaalsContact O-CG 3.3Å; I502-R519 WeakPolarHBondContact O-CG 3.25Å
503	M	98.3	Very high	94.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-66.5	-23.8	-174.6	-64.1	-52.4	-58.5	0	0	114.4	L484 A487 F499 L500 F516 N518 R519 N520 L521	L484-M503 HydrophobicContact CD2-CB 3.88Å; L484-M503 HydrophobicContact CD2-CG 3.76Å; A487-M503 HydrophobicContact CB-CE 3.59Å; A487-M503 HydrophobicContact CB-SD 3.75Å; F499-M503 HydrophobicContact CD2-CG 4.05Å; F499-M503 HydrophobicContact CD2-SD 4.4Å; F499-M503 HydrophobicContact CE1-CG 4.06Å; F499-M503 HydrophobicContact CE2-CG 3.52Å; F499-M503 HydrophobicContact CE2-SD 3.59Å; F499-M503 VanDerWaalsContact CE2-SD 3.59Å; F499-M503 HydrophobicContact CZ-CG 3.53Å; F499-M503 HydrophobicContact CZ-SD 3.92Å; F499-M503 WeakPolarHBondContact O-CG 3.34Å; F499-M503 PolarHBondContact O-N 2.92Å; F499-M503 VanDerWaalsContact O-N 3.1Å; L500-M503 WeakPolarHBondContact O-CB 3.42Å; L500-M503 PolarHBondContact O-N 2.89Å; M503-F516 HydrophobicContact SD-CB 4.25Å; M503-F516 HydrophobicContact SD-CD1 3.95Å; M503-F516 HydrophobicContact SD-CG 4.28Å; M503-N518 WeakPolarHBondContact CE-O 3.42Å; M503-R519 CarbonylContact O-C 3.55Å; M503-R519 WeakPolarHBondContact O-CA 3.37Å; M503-N520 PolarHBondContact O-N 3.26Å; M503-L521 HydrophobicContact CB-CB 4.05Å; M503-L521 HydrophobicContact CB-CD2 4.18Å; M503-L521 WeakPolarHBondContact O-CB 3.15Å; M503-L521 PolarHBondContact O-N 3.36Å
504	Y	97.2	Very high	94.8	Very high	16 Å²	16	31.3 Å²	31.3	6%	0.063	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	18.5	170.4	60.6	-99.1	0	0	0	114	Y442 A465 D466 S468 L500 P501 I502 K506 L521 A523	Y442-Y504 HydrophobicContact CE2-CE1 4.09Å; A465-Y504 HydrophobicContact CB-CE2 4.37Å; D466-Y504 PolarHBondContact O-OH 3.48Å; S468-Y504 PolarHBondContact OG-OH 3.43Å; L500-Y504 VanDerWaalsContact C-CD1 3.46Å; L500-Y504 HydrophobicContact CB-CE1 4.22Å; L500-Y504 WeakPolarHBondContact O-CD1 3.47Å; L500-Y504 WeakPolarHBondContact O-CE1 3.25Å; L500-Y504 PolarHBondContact O-N 3.04Å; P501-Y504 HydrophobicContact CB-CE1 4.18Å; P501-Y504 HydrophobicContact CB-CE2 4.28Å; P501-Y504 HydrophobicContact CG-CE1 4.25Å; P501-Y504 WeakPolarHBondContact CG-OH 3.36Å; P501-Y504 VanDerWaalsContact N-CE1 3.29Å; I502-Y504 VanDerWaalsContact C-N 3.27Å; I502-Y504 PolarHBondContact O-N 3.48Å; Y504-K506 VanDerWaalsContact C-N 3.31Å; Y504-K506 HydrophobicContact CD2-CB 3.65Å; Y504-K506 HydrophobicContact CD2-CG 3.42Å; Y504-K506 VanDerWaalsContact CD2-CG 3.42Å; Y504-K506 HydrophobicContact CE2-CB 3.51Å; Y504-K506 HydrophobicContact CE2-CG 3.64Å; Y504-K506 PolarHBondContact O-N 3.29Å; Y504-L521 WeakPolarHBondContact CA-O 3.37Å; Y504-L521 WeakPolarHBondContact CB-O 3.23Å; Y504-L521 HydrophobicContact CD1-CD2 4.2Å; Y504-A523 HydrophobicContact CD1-CB 3.41Å; Y504-A523 VanDerWaalsContact CD1-CB 3.41Å; Y504-A523 HydrophobicContact CD2-CB 3.97Å; Y504-A523 HydrophobicContact CE1-CB 3.91Å; Y504-A523 HydrophobicContact CE2-CB 4.41Å; Y504-A523 HydrophobicContact CG-CB 3.47Å; Y504-A523 VanDerWaalsContact CG-CB 3.47Å
505	D	96.9	Very high	94.8	Very high	70 Å²	70	34.6 Å²	34.6	37%	0.374	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	33.1	172.7	-157.6	45.7	0	0	0	115.4	P501 I502 K513 R519	P501-D505 PolarHBondContact O-N 2.96Å; I502-D505 WeakPolarHBondContact O-CA 3.25Å; I502-D505 PolarHBondContact O-N 3.4Å; D505-K513 WeakPolarHBondContact OD1-CD 3.28Å; D505-K513 IonicContact OD1-NZ 3.33Å; D505-R519 HydrophobicContact CB-CB 4.03Å; D505-R519 IonicContact OD1-CZ 3.23Å; D505-R519 IonicContact OD1-NE 3.89Å; D505-R519 PolarHBondContact OD1-NE 3.2Å; D505-R519 IonicContact OD1-NH2 3.87Å; D505-R519 PolarHBondContact OD1-NH2 3.29Å; D505-R519 VanDerWaalsContact OD1-NH2 3.14Å
506	K	95.3	Very high	94.9	Very high	92 Å²	92	34.6 Å²	34.6	40%	0.4	18%	0.18	S	C	.	.			trans	-113.5	-0.5	176.9	-62.5	-65.5	-179.7	-175.5	0	114.2	Y467 P501 Y504	Y467-K506 WeakPolarHBondContact CB-O 3.31Å; P501-K506 PolarHBondContact O-N 3.49Å; Y504-K506 VanDerWaalsContact C-N 3.31Å; Y504-K506 HydrophobicContact CD2-CB 3.65Å; Y504-K506 HydrophobicContact CD2-CG 3.42Å; Y504-K506 VanDerWaalsContact CD2-CG 3.42Å; Y504-K506 HydrophobicContact CE2-CB 3.51Å; Y504-K506 HydrophobicContact CE2-CG 3.64Å; Y504-K506 PolarHBondContact O-N 3.29Å
507	H	94.4	Very high	94.8	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.014	22%	0.216	C	C	.	.			trans	-65.5	134.2	175.1	-165.9	-79	0	0	0	111.4	Y467 E498 P501 I502 N509 Y512 K513	Y467-H507 AromaticContact CE2-CD2 3.59Å; Y467-H507 AromaticContact CE2-NE2 3.99Å; E498-H507 PolarHBondContact O-CD2 3.32Å; E498-H507 IonicContact OE2-CD2 3.58Å; E498-H507 IonicContact OE2-NE2 3.38Å; E498-H507 PolarHBondContact OE2-NE2 3.01Å; P501-H507 HydrophobicContact CB-CB 4.21Å; P501-H507 PolarHBondContact O-N 3.26Å; P501-H507 VanDerWaalsContact O-N 3.11Å; I502-H507 HydrophobicContact CB-CB 4.32Å; I502-H507 HydrophobicContact CG1-CB 3.51Å; H507-N509 WeakPolarHBondContact CE1-CB 3.4Å; H507-N509 WeakPolarHBondContact ND1-CB 3.46Å; H507-N509 PolarHBondContact ND1-N 3.46Å; H507-N509 PolarHBondContact ND1-O 2.74Å; H507-Y512 AromaticContact CE1-CD2 3.5Å; H507-K513 HydrophobicContact CB-CD 4.12Å; H507-K513 HydrophobicContact CB-CG 3.98Å; H507-K513 WeakPolarHBondContact O-CD 3.48Å; H507-K513 VanDerWaalsContact O-CE 3.26Å; H507-K513 WeakPolarHBondContact O-CE 3.46Å
508	P	92.1	Very high	94.9	Very high	62 Å²	62	46.7 Å²	46.7	40%	0.403	24%	0.244	S	C	.	.	S	Bend	trans	-74.7	-24.2	-175.6	29.1	-36.4	0	0	0	114	Y467 E510 M577	Y467-P508 HydrophobicContact CD1-CG 3.96Å; Y467-P508 VanDerWaalsContact CD2-CD 3.48Å; Y467-P508 HydrophobicContact CE1-CG 3.59Å; Y467-P508 VanDerWaalsContact CE2-CD 3.4Å; Y467-P508 HydrophobicContact CE2-CG 4.25Å; Y467-P508 HydrophobicContact CG-CG 4.39Å; Y467-P508 VanDerWaalsContact CZ-CD 3.43Å; P508-E510 PolarHBondContact O-N 3.39Å; P508-M577 HydrophobicContact CG-CE 3.84Å
509	N	92	Very high	95	Very high	41 Å²	41	50 Å²	50	22%	0.219	26%	0.256	C	S	.	.			trans	-84.4	109.4	177.8	-168.1	-38.7	0	0	0	111.2	H507 D511 Y512 K513	H507-N509 WeakPolarHBondContact CE1-CB 3.4Å; H507-N509 WeakPolarHBondContact ND1-CB 3.46Å; H507-N509 PolarHBondContact ND1-N 3.46Å; H507-N509 PolarHBondContact ND1-O 2.74Å; N509-D511 WeakPolarHBondContact OD1-CA 3.42Å; N509-D511 WeakPolarHBondContact OD1-CB 3.49Å; N509-D511 PolarHBondContact OD1-N 2.86Å; N509-Y512 HydrophobicContact CB-CD2 3.67Å; N509-Y512 HydrophobicContact CB-CE2 4.09Å; N509-Y512 HydrophobicContact CB-CG 3.89Å; N509-Y512 WeakPolarHBondContact ND2-CE1 3.44Å; N509-Y512 WeakPolarHBondContact ND2-CE2 3.4Å; N509-Y512 PolarHBondContact O-N 2.85Å; N509-Y512 PolarHBondContact OD1-N 2.81Å; N509-K513 WeakPolarHBondContact O-CG 3.36Å; N509-K513 PolarHBondContact O-N 2.89Å
510	E	92.6	Very high	95	Very high	118 Å²	118	54.5 Å²	54.5	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-67.4	-33.4	178.2	-67.4	-59.9	151.1	0	0	113.3	P508 Y512 K513 S514	P508-E510 PolarHBondContact O-N 3.39Å; E510-Y512 VanDerWaalsContact C-N 3.33Å; E510-Y512 PolarHBondContact O-N 2.71Å; E510-K513 PolarHBondContact O-N 3.02Å; E510-K513 WeakPolarHBondContact OE1-CE 3.35Å; E510-K513 IonicContact OE1-NZ 3Å; E510-K513 PolarHBondContact OE1-NZ 3.14Å; E510-K513 WeakPolarHBondContact OE2-CE 3.43Å; E510-K513 IonicContact OE2-NZ 2.76Å; E510-K513 PolarHBondContact OE2-NZ 2.7Å; E510-K513 VanDerWaalsContact OE2-NZ 3.13Å; E510-S514 PolarHBondContact O-N 3.38Å
511	D	92.3	Very high	95.1	Very high	117 Å²	117	54.9 Å²	54.9	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-63	-44.3	178.3	-63.2	-28.2	0	0	0	109.6	N509 K513 S514 H515	N509-D511 WeakPolarHBondContact OD1-CA 3.42Å; N509-D511 WeakPolarHBondContact OD1-CB 3.49Å; N509-D511 PolarHBondContact OD1-N 2.86Å; D511-K513 PolarHBondContact O-N 2.93Å; D511-S514 WeakPolarHBondContact O-CB 3.44Å; D511-S514 PolarHBondContact O-N 3.11Å; D511-S514 PolarHBondContact O-OG 3.36Å; D511-H515 PolarHBondContact O-CD2 3.3Å
512	Y	93.4	Very high	95.2	Very high	23 Å²	23	58 Å²	58	9%	0.09	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-42.8	177.8	-60.2	-8.1	0	0	0	111.6	L369 Y372 Y373 H507 N509 E510 S514 H515 F516	L369-Y512 HydrophobicContact CD2-CD1 3.84Å; L369-Y512 HydrophobicContact CD2-CG 3.95Å; Y372-Y512 HydrophobicContact CD2-CD2 4.38Å; Y372-Y512 AromaticContact CD2-CE2 3.84Å; Y372-Y512 HydrophobicContact CD2-CE2 3.84Å; Y372-Y512 HydrophobicContact CE2-CE2 4.22Å; Y373-Y512 PolarHBondContact N-OH 2.71Å; Y373-Y512 PolarHBondContact O-OH 2.74Å; Y373-Y512 VanDerWaalsContact O-OH 3.13Å; H507-Y512 AromaticContact CE1-CD2 3.5Å; N509-Y512 HydrophobicContact CB-CD2 3.67Å; N509-Y512 HydrophobicContact CB-CE2 4.09Å; N509-Y512 HydrophobicContact CB-CG 3.89Å; N509-Y512 WeakPolarHBondContact ND2-CE1 3.44Å; N509-Y512 WeakPolarHBondContact ND2-CE2 3.4Å; N509-Y512 PolarHBondContact O-N 2.85Å; N509-Y512 PolarHBondContact OD1-N 2.81Å; E510-Y512 VanDerWaalsContact C-N 3.33Å; E510-Y512 PolarHBondContact O-N 2.71Å; Y512-S514 VanDerWaalsContact C-N 3.26Å; Y512-S514 PolarHBondContact O-N 2.87Å; Y512-H515 PolarHBondContact O-N 3.45Å; Y512-F516 WeakPolarHBondContact O-CD2 3.49Å
513	K	94.6	Very high	95.2	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-32.1	176.3	-70.3	-168.4	-61.7	174.1	0	112.8	I502 D505 H507 N509 E510 D511 H515 F516 R519	I502-K513 HydrophobicContact CG1-CG 4.18Å; I502-K513 HydrophobicContact CG2-CG 4.17Å; D505-K513 WeakPolarHBondContact OD1-CD 3.28Å; D505-K513 IonicContact OD1-NZ 3.33Å; H507-K513 HydrophobicContact CB-CD 4.12Å; H507-K513 HydrophobicContact CB-CG 3.98Å; H507-K513 WeakPolarHBondContact O-CD 3.48Å; H507-K513 VanDerWaalsContact O-CE 3.26Å; H507-K513 WeakPolarHBondContact O-CE 3.46Å; N509-K513 WeakPolarHBondContact O-CG 3.36Å; N509-K513 PolarHBondContact O-N 2.89Å; E510-K513 PolarHBondContact O-N 3.02Å; E510-K513 WeakPolarHBondContact OE1-CE 3.35Å; E510-K513 IonicContact OE1-NZ 3Å; E510-K513 PolarHBondContact OE1-NZ 3.14Å; E510-K513 WeakPolarHBondContact OE2-CE 3.43Å; E510-K513 IonicContact OE2-NZ 2.76Å; E510-K513 PolarHBondContact OE2-NZ 2.7Å; E510-K513 VanDerWaalsContact OE2-NZ 3.13Å; D511-K513 PolarHBondContact O-N 2.93Å; K513-H515 PolarHBondContact O-N 3.34Å; K513-H515 VanDerWaalsContact O-N 3.15Å; K513-F516 CarbonylContact O-C 3.55Å; K513-F516 PolarHBondContact O-N 3.22Å; K513-R519 PolarHBondContact O-NH1 3.03Å; K513-R519 VanDerWaalsContact O-NH1 3.12Å
514	S	94.6	Very high	95.2	Very high	71 Å²	71	59 Å²	59	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-25.3	-177.6	80.5	0	0	0	0	113.6	E510 D511 Y512 F516	E510-S514 PolarHBondContact O-N 3.38Å; D511-S514 WeakPolarHBondContact O-CB 3.44Å; D511-S514 PolarHBondContact O-N 3.11Å; D511-S514 PolarHBondContact O-OG 3.36Å; Y512-S514 VanDerWaalsContact C-N 3.26Å; Y512-S514 PolarHBondContact O-N 2.87Å; S514-F516 VanDerWaalsContact C-N 3.27Å; S514-F516 PolarHBondContact O-N 3.38Å
515	H	94.6	Very high	95.2	Very high	70 Å²	70	58.3 Å²	58.3	32%	0.324	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.6	175.7	-67.4	-86.9	0	0	0	114.1	L369 K492 D511 Y512 K513	L369-H515 HydrophobicContact CD1-CB 3.51Å; L369-H515 VanDerWaalsContact CD1-CG 3.45Å; K492-H515 HydrophobicContact CD-CB 4.4Å; K492-H515 PolarHBondContact NZ-O 2.75Å; D511-H515 PolarHBondContact O-CD2 3.3Å; Y512-H515 PolarHBondContact O-N 3.45Å; K513-H515 PolarHBondContact O-N 3.34Å; K513-H515 VanDerWaalsContact O-N 3.15Å
516	F	95.6	Very high	95.3	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.013	28%	0.282	C	S	.	.			trans	-123.4	97.5	-179.1	-60.3	-88.4	0	0	0	108.9	L369 A487 K492 L494 F499 I502 M503 Y512 K513 S514 R519	L369-F516 HydrophobicContact CD1-CE2 3.99Å; L369-F516 HydrophobicContact CD1-CZ 4.45Å; A487-F516 HydrophobicContact CB-CD1 4.13Å; A487-F516 HydrophobicContact CB-CE1 4.44Å; K492-F516 HydrophobicContact CB-CZ 4.49Å; K492-F516 HydrophobicContact CD-CD1 4.17Å; K492-F516 HydrophobicContact CD-CE1 3.62Å; K492-F516 HydrophobicContact CD-CE2 4.34Å; K492-F516 HydrophobicContact CD-CZ 3.73Å; K492-F516 HydrophobicContact CG-CE1 3.89Å; K492-F516 HydrophobicContact CG-CZ 3.79Å; L494-F516 HydrophobicContact CD2-CE2 3.88Å; L494-F516 HydrophobicContact CD2-CZ 4.09Å; F499-F516 AromaticContact CD2-CE1 3.93Å; F499-F516 HydrophobicContact CD2-CE1 3.93Å; F499-F516 AromaticContact CD2-CZ 3.97Å; F499-F516 HydrophobicContact CD2-CZ 3.97Å; F499-F516 HydrophobicContact CE2-CD1 4.07Å; F499-F516 AromaticContact CE2-CE1 3.56Å; F499-F516 HydrophobicContact CE2-CE1 3.56Å; F499-F516 HydrophobicContact CE2-CZ 4.09Å; I502-F516 HydrophobicContact CD1-CD2 4.34Å; I502-F516 HydrophobicContact CD1-CE2 4.16Å; I502-F516 HydrophobicContact CG2-CB 3.81Å; I502-F516 HydrophobicContact CG2-CD2 3.52Å; I502-F516 HydrophobicContact CG2-CE2 4.28Å; I502-F516 HydrophobicContact CG2-CG 3.81Å; M503-F516 HydrophobicContact SD-CB 4.25Å; M503-F516 HydrophobicContact SD-CD1 3.95Å; M503-F516 HydrophobicContact SD-CG 4.28Å; Y512-F516 WeakPolarHBondContact O-CD2 3.49Å; K513-F516 CarbonylContact O-C 3.55Å; K513-F516 PolarHBondContact O-N 3.22Å; S514-F516 VanDerWaalsContact C-N 3.27Å; S514-F516 PolarHBondContact O-N 3.38Å; F516-R519 HydrophobicContact CB-CG 4.15Å; F516-R519 VanDerWaalsContact O-CD 3.26Å; F516-R519 WeakPolarHBondContact O-CD 3.26Å; F516-R519 WeakPolarHBondContact O-CG 3.38Å; F516-R519 PolarHBondContact O-NH1 3.07Å
517	L	91.8	Very high	95.2	Very high	150 Å²	150	55.4 Å²	55.4	79%	0.785	28%	0.281	S	S	*	.	S	Bend	trans	-71.5	-37.7	-174.2	-62.6	176.3	0	0	0	112.9
518	N	94.6	Very high	95.2	Very high	128 Å²	128	59 Å²	59	68%	0.684	31%	0.305	S	S	*	.			trans	-97.8	95.1	-179.2	-65.3	-31	0	0	0	110	M503	M503-N518 WeakPolarHBondContact CE-O 3.42Å
519	R	96.9	Very high	95.4	Very high	69 Å²	69	56.6 Å²	56.6	26%	0.26	29%	0.288	S	S	.	.			trans	-114.4	57.5	-178.8	-58.6	-179.5	-52.9	-89.2	0.1	110.8	I502 M503 D505 K513 F516	I502-R519 HydrophobicContact CG2-CG 4.38Å; I502-R519 WeakPolarHBondContact O-CB 3.33Å; I502-R519 WeakPolarHBondContact O-CD 3.42Å; I502-R519 VanDerWaalsContact O-CG 3.3Å; I502-R519 WeakPolarHBondContact O-CG 3.25Å; M503-R519 CarbonylContact O-C 3.55Å; M503-R519 WeakPolarHBondContact O-CA 3.37Å; D505-R519 HydrophobicContact CB-CB 4.03Å; D505-R519 IonicContact OD1-CZ 3.23Å; D505-R519 IonicContact OD1-NE 3.89Å; D505-R519 PolarHBondContact OD1-NE 3.2Å; D505-R519 IonicContact OD1-NH2 3.87Å; D505-R519 PolarHBondContact OD1-NH2 3.29Å; D505-R519 VanDerWaalsContact OD1-NH2 3.14Å; K513-R519 PolarHBondContact O-NH1 3.03Å; K513-R519 VanDerWaalsContact O-NH1 3.12Å; F516-R519 HydrophobicContact CB-CG 4.15Å; F516-R519 VanDerWaalsContact O-CD 3.26Å; F516-R519 WeakPolarHBondContact O-CD 3.26Å; F516-R519 WeakPolarHBondContact O-CG 3.38Å; F516-R519 PolarHBondContact O-NH1 3.07Å
520	N	97.2	Very high	95.6	Very high	96 Å²	96	54.8 Å²	54.8	51%	0.513	28%	0.279	S	S	.	.			trans	-109.3	22.8	-172.9	68.3	-25.8	0	0	0	113.3	M503 Q522	M503-N520 PolarHBondContact O-N 3.26Å; N520-Q522 PolarHBondContact O-N 3.47Å
521	L	98.3	Very high	95.9	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.042	25%	0.253	C	S	.	.			trans	-69.4	125.1	175.2	-164.1	83.1	0	0	0	109.5	D439 L440 K483 L484 M503 Y504 A523	D439-L521 HydrophobicContact CB-CD1 3.49Å; D439-L521 VanDerWaalsContact CB-CD1 3.49Å; D439-L521 HydrophobicContact CB-CG 3.78Å; D439-L521 WeakPolarHBondContact OD2-CA 3.19Å; L440-L521 HydrophobicContact CB-CD2 4.27Å; L440-L521 HydrophobicContact CD1-CD2 4.45Å; K483-L521 HydrophobicContact CB-CD1 4.12Å; K483-L521 HydrophobicContact CD-CD1 4.29Å; L484-L521 HydrophobicContact CD2-CD1 4.01Å; L484-L521 HydrophobicContact CD2-CD2 3.93Å; L484-L521 HydrophobicContact CG-CD1 4.19Å; M503-L521 HydrophobicContact CB-CB 4.05Å; M503-L521 HydrophobicContact CB-CD2 4.18Å; M503-L521 WeakPolarHBondContact O-CB 3.15Å; M503-L521 PolarHBondContact O-N 3.36Å; Y504-L521 WeakPolarHBondContact CA-O 3.37Å; Y504-L521 WeakPolarHBondContact CB-O 3.23Å; Y504-L521 HydrophobicContact CD1-CD2 4.2Å; L521-A523 PolarHBondContact O-N 2.83Å
522	Q	98.3	Very high	95.9	Very high	65 Å²	65	45.1 Å²	45.1	30%	0.304	23%	0.23	S	C	.	.			trans	-87.9	94.6	175.4	-70.8	170.7	-21.6	0	0	109.6	D437 D439 L440 N520 F524	D437-Q522 VanDerWaalsContact CB-OE1 3.31Å; D437-Q522 PolarHBondContact O-OE1 3.39Å; D437-Q522 PolarHBondContact OD1-OE1 3.06Å; D437-Q522 PolarHBondContact OD2-NE2 3.04Å; D437-Q522 PolarHBondContact OD2-OE1 3.13Å; D439-Q522 HydrophobicContact CB-CB 4.45Å; D439-Q522 PolarHBondContact N-O 3.3Å; D439-Q522 PolarHBondContact OD2-N 2.88Å; L440-Q522 PolarHBondContact N-O 3.27Å; N520-Q522 PolarHBondContact O-N 3.47Å; Q522-F524 HydrophobicContact CB-CE2 4.16Å
523	A	98.3	Very high	95.8	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.2	-177.7	0	0	0	0	0	112.4	L440 A465 Y504 L521	L440-A523 HydrophobicContact CD2-CB 4.38Å; L440-A523 CarbonylContact O-C 3.51Å; L440-A523 WeakPolarHBondContact O-CA 3.43Å; A465-A523 HydrophobicContact CB-CB 4.04Å; A465-A523 WeakPolarHBondContact CB-O 3.23Å; A465-A523 PolarHBondContact N-O 3.4Å; Y504-A523 HydrophobicContact CD1-CB 3.41Å; Y504-A523 VanDerWaalsContact CD1-CB 3.41Å; Y504-A523 HydrophobicContact CD2-CB 3.97Å; Y504-A523 HydrophobicContact CE1-CB 3.91Å; Y504-A523 HydrophobicContact CE2-CB 4.41Å; Y504-A523 HydrophobicContact CG-CB 3.47Å; Y504-A523 VanDerWaalsContact CG-CB 3.47Å; L521-A523 PolarHBondContact O-N 2.83Å
524	F	98.5	Very high	95.5	Very high	20 Å²	20	44.2 Å²	44.2	9%	0.088	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	172.1	175	-57.8	-87.7	0	0	0	110.8	L436 D437 W438 L440 I441 Y442 V456 L462 V463 V464 Q522	L436-F524 HydrophobicContact CD1-CE1 4.33Å; L436-F524 HydrophobicContact CD1-CZ 3.87Å; L436-F524 HydrophobicContact CD2-CD2 4.32Å; L436-F524 HydrophobicContact CD2-CE1 4.23Å; L436-F524 HydrophobicContact CD2-CE2 4.03Å; L436-F524 HydrophobicContact CD2-CZ 3.97Å; L436-F524 HydrophobicContact CG-CE2 4.24Å; L436-F524 HydrophobicContact CG-CZ 4.09Å; D437-F524 WeakPolarHBondContact O-CE2 3.16Å; W438-F524 HydrophobicContact CB-CD2 3.74Å; W438-F524 HydrophobicContact CB-CE2 3.62Å; L440-F524 PolarHBondContact O-N 2.88Å; I441-F524 CarbonylContact C-O 2.93Å; I441-F524 WeakPolarHBondContact CA-O 2.93Å; I441-F524 HydrophobicContact CG1-CB 4.22Å; Y442-F524 PolarHBondContact N-O 3.46Å; V456-F524 HydrophobicContact CG2-CD1 3.42Å; V456-F524 VanDerWaalsContact CG2-CD1 3.42Å; V456-F524 HydrophobicContact CG2-CE1 3.59Å; L462-F524 HydrophobicContact CD1-CB 3.8Å; L462-F524 HydrophobicContact CD2-CB 4.28Å; L462-F524 HydrophobicContact CD2-CD1 4.34Å; L462-F524 HydrophobicContact CD2-CG 4.34Å; L462-F524 HydrophobicContact CG-CB 4.07Å; L462-F524 HydrophobicContact CG-CD1 4.47Å; V463-F524 CarbonylContact O-C 3.45Å; V463-F524 WeakPolarHBondContact O-CA 3.19Å; V463-F524 WeakPolarHBondContact O-CB 3.42Å; V464-F524 HydrophobicContact CG2-CD1 4.27Å; V464-F524 HydrophobicContact CG2-CE1 4.06Å; Q522-F524 HydrophobicContact CB-CE2 4.16Å
525	S	98	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.8	177	179.6	0	0	0	0	111.1	Y442 R445 V463	Y442-S525 WeakPolarHBondContact O-CA 3.16Å; R445-S525 PolarHBondContact NE-OG 2.71Å; R445-S525 PolarHBondContact NH2-OG 3Å; V463-S525 WeakPolarHBondContact CG2-O 3.37Å; V463-S525 PolarHBondContact N-O 3.37Å; V463-S525 PolarHBondContact O-N 3.39Å
526	T	97.8	Very high	94.2	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.3	168.8	56.4	0	0	0	0	111.1	L427 I441 Y442 L443 N461 L529 L530	L427-T526 HydrophobicContact CD2-CG2 3.44Å; L427-T526 VanDerWaalsContact CD2-CG2 3.44Å; I441-T526 HydrophobicContact CG2-CG2 4.32Å; Y442-T526 PolarHBondContact O-N 3.18Å; Y442-T526 PolarHBondContact O-OG1 2.96Å; Y442-T526 VanDerWaalsContact O-OG1 3.11Å; L443-T526 HydrophobicContact CG-CG2 4.41Å; N461-T526 CarbonylContact O-C 3.49Å; N461-T526 WeakPolarHBondContact O-CA 3.5Å; T526-L529 WeakPolarHBondContact OG1-CA 3.41Å; T526-L530 HydrophobicContact CG2-CD1 3.97Å; T526-L530 HydrophobicContact CG2-CG 4.02Å
527	R	93.8	Very high	92.7	Very high	99 Å²	99	41.4 Å²	41.4	37%	0.374	21%	0.207	S	C	.	.	S	Bend	trans	-140.4	109.2	175.5	-174.4	170.1	69.4	-169.7	-4.5	110.5	E453 N461 V463	E453-R527 PolarHBondContact O-NH1 2.98Å; N461-R527 WeakPolarHBondContact CA-O 2.88Å; N461-R527 WeakPolarHBondContact CB-O 3.41Å; N461-R527 PolarHBondContact O-N 3.16Å; N461-R527 PolarHBondContact OD1-O 2.83Å; V463-R527 HydrophobicContact CG1-CB 3.95Å; V463-R527 VanDerWaalsContact CG1-NE 3.31Å; V463-R527 HydrophobicContact CG2-CB 4.44Å
528	P	94.4	Very high	91.4	Very high	79 Å²	79	37.3 Å²	37.3	51%	0.513	20%	0.201	S	C	.	.	S	Bend	cis	-70.8	155.9	-0.9	28.1	-29.6	0	0	0	111.4	R423	R423-P528 PolarHBondContact NH2-O 2.89Å
529	L	96.2	Very high	90.1	Very high	11 Å²	11	34 Å²	34	6%	0.058	18%	0.183	C	C	.	.			trans	-51.8	150.8	174.3	-67.9	172.3	0	0	0	111.1	E417 R445 T526	E417-L529 WeakPolarHBondContact CG-O 3.18Å; R445-L529 HydrophobicContact CG-CD2 4.11Å; R445-L529 VanDerWaalsContact O-CD1 3.32Å; R445-L529 WeakPolarHBondContact O-CD1 3.48Å; T526-L529 WeakPolarHBondContact OG1-CA 3.41Å
530	L	97.1	Very high	88.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.214	C	C	.	.	S	Bend	trans	-99.6	-20	-179.7	-60	-172	0	0	0	112.7	E417 F420 R423 V424 L443 T526	E417-L530 WeakPolarHBondContact CB-O 3.05Å; E417-L530 PolarHBondContact N-O 3.32Å; F420-L530 HydrophobicContact CD2-CB 3.85Å; F420-L530 HydrophobicContact CE2-CB 3.88Å; R423-L530 HydrophobicContact CB-CD1 4.25Å; R423-L530 HydrophobicContact CB-CD2 3.83Å; R423-L530 HydrophobicContact CG-CD2 4.47Å; R423-L530 VanDerWaalsContact NE-CD2 3.28Å; V424-L530 HydrophobicContact CG2-CD1 3.56Å; L443-L530 HydrophobicContact CB-CB 4.34Å; L443-L530 HydrophobicContact CD2-CB 4.49Å; L443-L530 HydrophobicContact CD2-CD1 4.12Å; L443-L530 HydrophobicContact CG-CB 4.49Å; L443-L530 HydrophobicContact CG-CD1 4.26Å; L443-L530 PolarHBondContact O-N 3.45Å; T526-L530 HydrophobicContact CG2-CD1 3.97Å; T526-L530 HydrophobicContact CG2-CG 4.02Å
531	V	96.8	Very high	87.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136	-176.8	-179.6	0	0	0	0	108.2	F410 V414 R415 F416 F420 L443 G444	F410-V531 HydrophobicContact CE1-CG2 4.11Å; V414-V531 HydrophobicContact CB-CG1 3.42Å; V414-V531 VanDerWaalsContact CB-CG1 3.42Å; V414-V531 HydrophobicContact CG1-CG1 3.81Å; V414-V531 HydrophobicContact CG2-CG1 3.76Å; R415-V531 WeakPolarHBondContact O-CA 3.25Å; F416-V531 HydrophobicContact CD1-CG2 4.18Å; F416-V531 HydrophobicContact CE1-CG2 4.4Å; F420-V531 HydrophobicContact CD2-CG2 4.29Å; F420-V531 HydrophobicContact CE2-CG2 3.62Å; F420-V531 HydrophobicContact CZ-CG2 4.39Å; L443-V531 HydrophobicContact CB-CG2 4.07Å; L443-V531 PolarHBondContact O-N 2.94Å; G444-V531 WeakPolarHBondContact CA-O 3.33Å
532	Q	93.9	Very high	86.6	Confident	31 Å²	31	40.2 Å²	40.2	15%	0.145	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.5	178.8	-66.6	-64	-28.9	0	0	109.1	V414 R415 E417 Y536	V414-Q532 CarbonylContact C-O 3.47Å; V414-Q532 WeakPolarHBondContact CA-O 3.49Å; R415-Q532 HydrophobicContact CG-CB 3.84Å; R415-Q532 PolarHBondContact N-O 3.04Å; R415-Q532 PolarHBondContact O-N 3.31Å; E417-Q532 HydrophobicContact CG-CG 4.47Å; E417-Q532 VanDerWaalsContact OE1-CG 3.23Å; E417-Q532 WeakPolarHBondContact OE1-CG 3.18Å; Q532-Y536 PolarHBondContact OE1-OH 2.9Å
533	P	91.6	Very high	85.3	Confident	7 Å²	7	40.8 Å²	40.8	5%	0.045	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	152	169.8	33.7	-36.7	0	0	0	109.8	W470 L472 H535 Y536	W470-P533 HydrophobicContact CH2-CG 4.43Å; W470-P533 HydrophobicContact CZ3-CG 3.82Å; L472-P533 HydrophobicContact CD1-CB 4.16Å; L472-P533 HydrophobicContact CD1-CG 4.31Å; L472-P533 HydrophobicContact CD2-CB 4.3Å; P533-H535 VanDerWaalsContact C-N 3.33Å; P533-Y536 HydrophobicContact CG-CD1 3.74Å; P533-Y536 HydrophobicContact CG-CD2 4.31Å; P533-Y536 HydrophobicContact CG-CE1 3.47Å; P533-Y536 VanDerWaalsContact CG-CE1 3.47Å; P533-Y536 HydrophobicContact CG-CE2 4.08Å; P533-Y536 HydrophobicContact CG-CG 4.15Å
534	C	87.4	Confident	84.1	Confident	10 Å²	10	41.1 Å²	41.1	7%	0.068	23%	0.232	C	C	.	.	S	Bend	trans	-61.6	-45.2	173.4	-69.4	0	0	0	0	111.3	I293 R333 D413 V414 R415	I293-C534 HydrophobicContact CG2-CB 4.18Å; R333-C534 PolarHBondContact NH1-SG 3.46Å; R333-C534 PolarHBondContact NH2-SG 2.88Å; R333-C534 VanDerWaalsContact NH2-SG 3.4Å; D413-C534 VanDerWaalsContact C-SG 3.59Å; D413-C534 PolarHBondContact O-N 3.04Å; D413-C534 PolarHBondContact O-SG 3.09Å; V414-C534 VanDerWaalsContact C-SG 3.5Å; V414-C534 PolarHBondContact O-SG 3.35Å; V414-C534 VanDerWaalsContact O-SG 3.34Å; R415-C534 PolarHBondContact NH1-O 3.46Å
535	H	83.4	Confident	83	Confident	44 Å²	44	41.2 Å²	41.2	20%	0.204	23%	0.233	C	C	.	.	S	Bend	trans	-131.4	142.6	178	-54	-73.6	0	0	0	109.1	D294 P533 D539 E541 W542	D294-H535 IonicContact OD1-CE1 3.99Å; P533-H535 VanDerWaalsContact C-N 3.33Å; H535-D539 HydrophobicContact CB-CB 4.18Å; H535-E541 IonicContact CE1-OE2 3.71Å; H535-E541 PolarHBondContact CE1-OE2 3.35Å; H535-W542 HydrophobicContact CB-CB 4.11Å
536	Y	79.4	Confident	81.5	Confident	36 Å²	36	43.4 Å²	43.4	14%	0.141	25%	0.247	C	C	.	.			trans	-92.6	154.4	172.1	-64	-94.9	0	0	0	109.4	W470 Q532 P533 G538 D539 W542 K569	W470-Y536 AromaticContact CH2-CD1 3.97Å; W470-Y536 HydrophobicContact CH2-CD1 3.97Å; W470-Y536 HydrophobicContact CZ3-CD1 4.09Å; W470-Y536 HydrophobicContact CZ3-CE1 4.26Å; Q532-Y536 PolarHBondContact OE1-OH 2.9Å; P533-Y536 HydrophobicContact CG-CD1 3.74Å; P533-Y536 HydrophobicContact CG-CD2 4.31Å; P533-Y536 HydrophobicContact CG-CE1 3.47Å; P533-Y536 VanDerWaalsContact CG-CE1 3.47Å; P533-Y536 HydrophobicContact CG-CE2 4.08Å; P533-Y536 HydrophobicContact CG-CG 4.15Å; Y536-G538 PolarHBondContact O-N 3.09Å; Y536-D539 PolarHBondContact N-OD2 3.02Å; Y536-D539 VanDerWaalsContact O-CB 3.22Å; Y536-D539 WeakPolarHBondContact O-CB 3.44Å; Y536-D539 VanDerWaalsContact O-CG 3.24Å; Y536-D539 PolarHBondContact O-N 3.13Å; Y536-W542 WeakPolarHBondContact O-CB 3.26Å; Y536-K569 HydrophobicContact CD1-CG 4.29Å; Y536-K569 HydrophobicContact CD2-CD 4.21Å; Y536-K569 HydrophobicContact CG-CB 4.45Å; Y536-K569 HydrophobicContact CG-CD 4.03Å; Y536-K569 HydrophobicContact CG-CG 4.21Å
537	A	63.8	Low	79.9	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.041	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-64.4	139	175.7	0	0	0	0	0	111.1	W542 T567 K569	A537-W542 HydrophobicContact CB-CD2 3.61Å; A537-W542 HydrophobicContact CB-CE3 3.9Å; A537-W542 HydrophobicContact CB-CG 4.17Å; A537-W542 HydrophobicContact CB-CH2 4.01Å; A537-W542 HydrophobicContact CB-CZ2 3.71Å; A537-W542 HydrophobicContact CB-CZ3 4.09Å; A537-T567 VanDerWaalsContact CB-CB 3.45Å; A537-T567 WeakPolarHBondContact CB-O 3.37Å; A537-T567 WeakPolarHBondContact CB-OG1 3.39Å; A537-T567 PolarHBondContact N-O 3.46Å; A537-K569 PolarHBondContact O-N 3.27Å
538	G	62.9	Low	78.2	Confident	65 Å²	65	42.1 Å²	42.1	67%	0.67	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.1	-17.4	-166.7	0	0	0	0	0	113.5	Y536	Y536-G538 PolarHBondContact O-N 3.09Å
539	D	67.8	Low	76.4	Confident	57 Å²	57	38.4 Å²	38.4	31%	0.305	23%	0.225	S	C	.	.	S	Bend	trans	-70.1	141.9	170.9	-65.6	-18.8	0	0	0	109.7	H535 Y536 E541 W542	H535-D539 HydrophobicContact CB-CB 4.18Å; Y536-D539 PolarHBondContact N-OD2 3.02Å; Y536-D539 VanDerWaalsContact O-CB 3.22Å; Y536-D539 WeakPolarHBondContact O-CB 3.44Å; Y536-D539 VanDerWaalsContact O-CG 3.24Å; Y536-D539 PolarHBondContact O-N 3.13Å; D539-E541 PolarHBondContact O-N 2.86Å; D539-E541 VanDerWaalsContact O-N 3.09Å; D539-W542 HydrophobicContact CB-CB 4.3Å; D539-W542 WeakPolarHBondContact O-CB 3.35Å; D539-W542 PolarHBondContact O-N 3.44Å
540	P	70.9	Confident	75	Confident	139 Å²	139	38.6 Å²	38.6	90%	0.903	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.5	-176.8	-26.6	34.5	0	0	0	114.9
541	E	73.5	Confident	73.7	Confident	117 Å²	117	40.1 Å²	40.1	55%	0.547	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.8	-177.3	-61.1	-174.9	147.8	0	0	112.9	H535 D539 V543	H535-E541 IonicContact CE1-OE2 3.71Å; H535-E541 PolarHBondContact CE1-OE2 3.35Å; D539-E541 PolarHBondContact O-N 2.86Å; D539-E541 VanDerWaalsContact O-N 3.09Å; E541-V543 PolarHBondContact O-N 3.38Å
542	W	75.8	Confident	72.4	Confident	48 Å²	48	41.6 Å²	41.6	18%	0.182	24%	0.24	C	C	.	.			trans	-71.6	129	178.5	179.8	81.5	0	0	0	112	H535 Y536 A537 D539 G563 T567	H535-W542 HydrophobicContact CB-CB 4.11Å; Y536-W542 WeakPolarHBondContact O-CB 3.26Å; A537-W542 HydrophobicContact CB-CD2 3.61Å; A537-W542 HydrophobicContact CB-CE3 3.9Å; A537-W542 HydrophobicContact CB-CG 4.17Å; A537-W542 HydrophobicContact CB-CH2 4.01Å; A537-W542 HydrophobicContact CB-CZ2 3.71Å; A537-W542 HydrophobicContact CB-CZ3 4.09Å; D539-W542 HydrophobicContact CB-CB 4.3Å; D539-W542 WeakPolarHBondContact O-CB 3.35Å; D539-W542 PolarHBondContact O-N 3.44Å; W542-G563 VanDerWaalsContact CH2-CA 3.45Å; W542-T567 HydrophobicContact CZ2-CG2 4.19Å
543	V	71	Confident	71.2	Confident	78 Å²	78	44.6 Å²	44.6	47%	0.473	26%	0.257	S	S	.	.			trans	-139.1	127	177.9	-179.1	0	0	0	0	109.6	R330 E541	R330-V543 PolarHBondContact NH2-O 3.23Å; E541-V543 PolarHBondContact O-N 3.38Å
544	S	72.8	Confident	70.1	Confident	12 Å²	12	46.9 Å²	46.9	8%	0.084	27%	0.269	C	S	.	.			trans	-107.6	122.3	173	175.5	0	0	0	0	111.4	T546 E547 T548	S544-T546 PolarHBondContact OG-N 3.21Å; S544-T546 PolarHBondContact OG-OG1 2.93Å; S544-T546 VanDerWaalsContact OG-OG1 3.06Å; S544-E547 PolarHBondContact OG-N 3.47Å; S544-E547 VanDerWaalsContact OG-N 3.13Å; S544-T548 VanDerWaalsContact O-CG2 3.3Å; S544-T548 WeakPolarHBondContact O-CG2 3.35Å; S544-T548 PolarHBondContact O-OG1 3.43Å
545	D	75.6	Confident	69.3	Low	21 Å²	21	50.9 Å²	50.9	11%	0.112	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.7	173.7	-83.6	-64.3	0	0	0	113	L324 R326 R327 R330	L324-D545 HydrophobicContact CD1-CB 3.82Å; R326-D545 IonicContact CZ-OD1 2.59Å; R326-D545 IonicContact NH1-OD1 2.74Å; R326-D545 PolarHBondContact NH1-OD1 3.43Å; R326-D545 IonicContact NH2-OD1 2.62Å; R326-D545 PolarHBondContact NH2-OD1 2.93Å; R327-D545 IonicContact CZ-OD2 3.46Å; R327-D545 IonicContact NH1-OD2 3.88Å; R327-D545 PolarHBondContact NH1-OD2 2.89Å; R330-D545 IonicContact CZ-OD2 2.83Å
546	T	66.1	Low	68.2	Low	47 Å²	47	53.5 Å²	53.5	29%	0.288	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-50	177.9	53.7	0	0	0	0	110.8	T382 C388 S544 T548 S549	T382-T546 PolarHBondContact OG1-O 3.45Å; C388-T546 HydrophobicContact CB-CG2 3.84Å; S544-T546 PolarHBondContact OG-N 3.21Å; S544-T546 PolarHBondContact OG-OG1 2.93Å; S544-T546 VanDerWaalsContact OG-OG1 3.06Å; T546-T548 PolarHBondContact O-N 3.15Å; T546-S549 PolarHBondContact O-OG 3.37Å
547	E	63.9	Low	67.3	Low	12 Å²	12	54.8 Å²	54.8	6%	0.056	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.7	-170.2	-61	-175.4	164.1	0	0	114.6	S544 T559 T567	S544-E547 PolarHBondContact OG-N 3.47Å; S544-E547 VanDerWaalsContact OG-N 3.13Å; E547-T559 PolarHBondContact O-OG1 3.4Å; E547-T567 WeakPolarHBondContact OE1-CG2 3.47Å
548	T	56.8	Low	66.8	Low	62 Å²	62	64.8 Å²	64.8	38%	0.38	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	15.1	-174.5	59.9	0	0	0	0	114.5	S544 T546 T559 W561	S544-T548 VanDerWaalsContact O-CG2 3.3Å; S544-T548 WeakPolarHBondContact O-CG2 3.35Å; S544-T548 PolarHBondContact O-OG1 3.43Å; T546-T548 PolarHBondContact O-N 3.15Å; T548-T559 WeakPolarHBondContact CA-OG1 3.42Å; T548-W561 WeakPolarHBondContact CG2-O 3.39Å
549	S	58.3	Low	66.4	Low	2 Å²	2	62.8 Å²	62.8	1%	0.014	34%	0.336	C	S	.	.	S	Bend	trans	-100.2	168.1	-177	61	0	0	0	0	113.5	N354 T382 G384 T546 T559	N354-S549 WeakPolarHBondContact OD1-CB 3.5Å; T382-S549 VanDerWaalsContact CB-OG 3.31Å; T382-S549 WeakPolarHBondContact CB-OG 3.3Å; G384-S549 WeakPolarHBondContact CA-OG 3.5Å; G384-S549 PolarHBondContact N-OG 2.82Å; T546-S549 PolarHBondContact O-OG 3.37Å; S549-T559 PolarHBondContact N-OG1 3.24Å; S549-T559 VanDerWaalsContact O-CG2 3.25Å; S549-T559 WeakPolarHBondContact O-CG2 3.36Å; S549-T559 PolarHBondContact O-OG1 3.27Å
550	T	66.9	Low	65.5	Low	15 Å²	15	67.5 Å²	67.5	9%	0.092	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-62.6	160.8	177.3	60	0	0	0	0	111.8	T382 K383 V557 R558	T382-T550 WeakPolarHBondContact CA-O 3.23Å; K383-T550 VanDerWaalsContact CD-OG1 3.27Å; K383-T550 WeakPolarHBondContact CD-OG1 3.39Å; K383-T550 WeakPolarHBondContact CE-OG1 3.43Å; K383-T550 PolarHBondContact N-O 3.32Å; T550-V557 VanDerWaalsContact CA-O 3.24Å; T550-V557 WeakPolarHBondContact CA-O 3.33Å; T550-V557 VanDerWaalsContact CB-O 3.27Å; T550-V557 WeakPolarHBondContact CB-O 3.46Å; T550-V557 WeakPolarHBondContact CG2-O 3.47Å; T550-R558 HydrophobicContact CG2-CB 4.41Å; T550-R558 HydrophobicContact CG2-CG 3.66Å
551	L	69.9	Low	64.6	Low	34 Å²	34	64.5 Å²	64.5	18%	0.178	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-61.3	151	172.5	-62.5	177.8	0	0	0	111.1	R379 D553 D554 V557 T559	R379-L551 HydrophobicContact CB-CD2 4.28Å; L551-D553 VanDerWaalsContact C-N 3.3Å; L551-D553 PolarHBondContact O-N 2.95Å; L551-D554 HydrophobicContact CB-CB 4.27Å; L551-V557 HydrophobicContact CD1-CB 4.39Å; L551-V557 HydrophobicContact CD1-CG1 4.19Å; L551-V557 HydrophobicContact CG-CG1 4.5Å; L551-V557 PolarHBondContact N-O 2.91Å; L551-T559 HydrophobicContact CD2-CG2 4.38Å
552	W	68.4	Low	63.3	Low	32 Å²	32	70.2 Å²	70.2	12%	0.121	35%	0.349	C	S	.	.	S	Bend	trans	-62.2	-33.2	-172.8	74.8	-67.5	0	0	0	113.9	I361 L368 L381 V386	I361-W552 VanDerWaalsContact CD1-O 3.27Å; I361-W552 WeakPolarHBondContact CD1-O 3.37Å; I361-W552 HydrophobicContact CG2-CE3 4.12Å; I361-W552 HydrophobicContact CG2-CZ3 4.45Å; L368-W552 HydrophobicContact CB-CD2 4.48Å; L368-W552 HydrophobicContact CB-CH2 3.67Å; L368-W552 HydrophobicContact CB-CZ2 3.43Å; L368-W552 VanDerWaalsContact CB-CZ2 3.43Å; L368-W552 HydrophobicContact CB-CZ3 4.29Å; L368-W552 HydrophobicContact CD2-CZ2 3.91Å; L368-W552 HydrophobicContact CG-CZ2 4.25Å; L381-W552 HydrophobicContact CB-CB 4.08Å; L381-W552 HydrophobicContact CB-CG 4.03Å; L381-W552 WeakPolarHBondContact O-CB 3.28Å; L381-W552 PolarHBondContact O-N 3.21Å; V386-W552 HydrophobicContact CG2-CB 4.07Å
553	D	69.8	Low	62	Low	93 Å²	93	68.9 Å²	68.9	50%	0.497	35%	0.35	S	S	.	.	S	Bend	trans	-111.2	1.4	-176.5	63.4	-23.4	0	0	0	114.4	L551	L551-D553 VanDerWaalsContact C-N 3.3Å; L551-D553 PolarHBondContact O-N 2.95Å
554	D	67.3	Low	61	Low	56 Å²	56	65.2 Å²	65.2	30%	0.299	33%	0.328	S	S	.	.			trans	-130.7	108.4	-179.9	-168.1	-21.4	0	0	0	111.4	L551 S556 V557	L551-D554 HydrophobicContact CB-CB 4.27Å; D554-S556 PolarHBondContact O-N 3.42Å; D554-S556 WeakPolarHBondContact OD1-CA 3.4Å; D554-S556 WeakPolarHBondContact OD1-CB 3.46Å; D554-S556 PolarHBondContact OD1-N 2.92Å; D554-S556 PolarHBondContact OD1-OG 3.39Å; D554-V557 VanDerWaalsContact OD2-CG2 3.28Å; D554-V557 WeakPolarHBondContact OD2-CG2 3.44Å
555	D	71.2	Confident	59.9	Low	94 Å²	94	70.2 Å²	70.2	50%	0.503	35%	0.349	S	S	.	.	S	Bend	trans	-71.7	-13.2	179.4	-67.1	-35.1	0	0	0	113.5	K383	K383-D555 WeakPolarHBondContact CE-OD1 3.3Å; K383-D555 IonicContact NZ-OD1 3.75Å; K383-D555 PolarHBondContact NZ-OD1 2.94Å
556	S	60.8	Low	58.5	Low	99 Å²	99	69.4 Å²	69.4	69%	0.692	35%	0.345	S	S	*	.	S	Bend	trans	-98.5	-22	-171.9	74.4	0	0	0	0	114.2	D554	D554-S556 PolarHBondContact O-N 3.42Å; D554-S556 WeakPolarHBondContact OD1-CA 3.4Å; D554-S556 WeakPolarHBondContact OD1-CB 3.46Å; D554-S556 PolarHBondContact OD1-N 2.92Å; D554-S556 PolarHBondContact OD1-OG 3.39Å
557	V	59.1	Low	57.9	Low	62 Å²	62	67.3 Å²	67.3	38%	0.376	33%	0.332	S	S	.	.			trans	-99.5	102.9	-176	-179.2	0	0	0	0	110.3	T550 L551 D554	T550-V557 VanDerWaalsContact CA-O 3.24Å; T550-V557 WeakPolarHBondContact CA-O 3.33Å; T550-V557 VanDerWaalsContact CB-O 3.27Å; T550-V557 WeakPolarHBondContact CB-O 3.46Å; T550-V557 WeakPolarHBondContact CG2-O 3.47Å; L551-V557 HydrophobicContact CD1-CB 4.39Å; L551-V557 HydrophobicContact CD1-CG1 4.19Å; L551-V557 HydrophobicContact CG-CG1 4.5Å; L551-V557 PolarHBondContact N-O 2.91Å; D554-V557 VanDerWaalsContact OD2-CG2 3.28Å; D554-V557 WeakPolarHBondContact OD2-CG2 3.44Å
558	R	54.1	Low	57.4	Low	215 Å²	215	69.8 Å²	69.8	81%	0.811	35%	0.345	S	S	*	.			trans	-79.3	134.6	167.4	-79.9	-176.5	165.5	-174.8	-4.9	110.1	T550	T550-R558 HydrophobicContact CG2-CB 4.41Å; T550-R558 HydrophobicContact CG2-CG 3.66Å
559	T	54.3	Low	56.9	Low	23 Å²	23	73.5 Å²	73.5	14%	0.141	36%	0.356	C	S	.	.			trans	-77.8	122.1	166.5	66.4	0	0	0	0	108.4	T382 E547 T548 S549 L551 W561	T382-T559 HydrophobicContact CG2-CG2 4.28Å; E547-T559 PolarHBondContact O-OG1 3.4Å; T548-T559 WeakPolarHBondContact CA-OG1 3.42Å; S549-T559 PolarHBondContact N-OG1 3.24Å; S549-T559 VanDerWaalsContact O-CG2 3.25Å; S549-T559 WeakPolarHBondContact O-CG2 3.36Å; S549-T559 PolarHBondContact O-OG1 3.27Å; L551-T559 HydrophobicContact CD2-CG2 4.38Å; T559-W561 PolarHBondContact O-N 3.21Å
560	D	49	Very low	56.4	Low	156 Å²	156	77.3 Å²	77.3	83%	0.834	40%	0.395	S	S	*	.			trans	-88.6	23.5	170.5	51.8	-14.3	0	0	0	111.5
561	W	52.7	Low	55.4	Low	77 Å²	77	78.2 Å²	78.2	29%	0.292	40%	0.404	S	S	.	.			trans	-92.9	113.6	-157.2	-150.9	83.2	0	0	0	111.5	S377 T548 T559 G563 S564	S377-W561 VanDerWaalsContact CB-CH2 3.48Å; T548-W561 WeakPolarHBondContact CG2-O 3.39Å; T559-W561 PolarHBondContact O-N 3.21Å; W561-G563 VanDerWaalsContact C-N 3.3Å; W561-G563 WeakPolarHBondContact CH2-O 3.16Å; W561-G563 WeakPolarHBondContact CZ3-O 3.35Å; W561-G563 PolarHBondContact O-N 3.09Å; W561-S564 VanDerWaalsContact CZ3-CB 3.41Å
562	R	44.8	Very low	54	Low	237 Å²	237	80.4 Å²	80.4	89%	0.894	43%	0.427	S	S	*	.			trans	-90.1	42	-172.9	-65.9	-168.9	-179.2	-164.3	0.2	114.4
563	G	48.8	Very low	52.8	Low	20 Å²	20	80.5 Å²	80.5	21%	0.206	43%	0.432	C	S	.	.			trans	97	157.8	172.8	0	0	0	0	0	115.9	W542 W561	W542-G563 VanDerWaalsContact CH2-CA 3.45Å; W561-G563 VanDerWaalsContact C-N 3.3Å; W561-G563 WeakPolarHBondContact CH2-O 3.16Å; W561-G563 WeakPolarHBondContact CZ3-O 3.35Å; W561-G563 PolarHBondContact O-N 3.09Å
564	S	50.3	Low	51.5	Low	1 Å²	1	77.6 Å²	77.6	1%	0.007	42%	0.419	C	S	.	.			trans	-98.3	158	-169.3	-175.3	0	0	0	0	114.5	F376 W561 K566 T567 L568	F376-S564 WeakPolarHBondContact CB-OG 3.44Å; W561-S564 VanDerWaalsContact CZ3-CB 3.41Å; S564-K566 PolarHBondContact O-N 2.91Å; S564-K566 WeakPolarHBondContact OG-CB 3.08Å; S564-K566 PolarHBondContact OG-N 3.18Å; S564-T567 PolarHBondContact N-OG1 2.55Å; S564-T567 PolarHBondContact O-N 3.12Å; S564-T567 PolarHBondContact O-OG1 2.99Å; S564-T567 VanDerWaalsContact O-OG1 3.06Å; S564-L568 PolarHBondContact O-N 3.4Å
565	H	50.1	Low	50.1	Low	117 Å²	117	80.1 Å²	80.1	54%	0.542	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.9	156.2	-83.6	-17.2	0	0	0	111.6	F376 K446 T567 L568 A571	F376-H565 HydrophobicContact CD1-CB 3.58Å; F376-H565 HydrophobicContact CE1-CB 4.19Å; F376-H565 HydrophobicContact CG-CB 4.42Å; K446-H565 PolarHBondContact NZ-O 3.08Å; H565-T567 PolarHBondContact O-N 3.42Å; H565-L568 WeakPolarHBondContact ND1-CD1 3.45Å; H565-A571 WeakPolarHBondContact O-CB 3.19Å
566	K	46.8	Very low	48.6	Very low	3 Å²	3	84.7 Å²	84.7	1%	0.013	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.9	168.2	-172.5	170.3	160	164	0	113.1	F376 K446 Y469 D497 E498 S564	F376-K566 HydrophobicContact CD2-CB 3.56Å; F376-K566 HydrophobicContact CD2-CD 4.19Å; F376-K566 HydrophobicContact CD2-CG 4.21Å; F376-K566 HydrophobicContact CE2-CB 3.68Å; F376-K566 HydrophobicContact CE2-CD 4.15Å; F376-K566 HydrophobicContact CE2-CG 3.98Å; F376-K566 HydrophobicContact CG-CB 3.99Å; F376-K566 HydrophobicContact CZ-CB 4.19Å; K446-K566 WeakPolarHBondContact CD-O 3.29Å; K446-K566 WeakPolarHBondContact CE-O 3.26Å; K446-K566 VanDerWaalsContact NZ-C 3.31Å; K446-K566 PolarHBondContact NZ-O 2.75Å; Y469-K566 HydrophobicContact CD1-CD 3.74Å; Y469-K566 HydrophobicContact CD1-CG 3.86Å; Y469-K566 HydrophobicContact CD2-CG 3.88Å; Y469-K566 HydrophobicContact CE1-CD 3.88Å; Y469-K566 HydrophobicContact CE1-CG 4.09Å; Y469-K566 HydrophobicContact CE2-CG 4.14Å; Y469-K566 HydrophobicContact CG-CD 4.11Å; Y469-K566 HydrophobicContact CG-CG 3.71Å; D497-K566 VanDerWaalsContact CG-NZ 3.32Å; D497-K566 IonicContact OD1-NZ 2.73Å; D497-K566 PolarHBondContact OD1-NZ 3.32Å; D497-K566 WeakPolarHBondContact OD2-CE 3.44Å; D497-K566 IonicContact OD2-NZ 3.54Å; D497-K566 PolarHBondContact OD2-NZ 2.88Å; D497-K566 VanDerWaalsContact OD2-NZ 3.11Å; E498-K566 IonicContact OE1-NZ 2.76Å; E498-K566 PolarHBondContact OE1-NZ 3.41Å; S564-K566 PolarHBondContact O-N 2.91Å; S564-K566 WeakPolarHBondContact OG-CB 3.08Å; S564-K566 PolarHBondContact OG-N 3.18Å
567	T	51.9	Low	47.5	Very low	3 Å²	3	82.5 Å²	82.5	2%	0.018	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-15.9	-176.1	60.2	0	0	0	0	113.6	W470 A537 W542 E547 S564 H565	W470-T567 HydrophobicContact CZ2-CG2 4.32Å; W470-T567 WeakPolarHBondContact CZ2-O 3.43Å; A537-T567 VanDerWaalsContact CB-CB 3.45Å; A537-T567 WeakPolarHBondContact CB-O 3.37Å; A537-T567 WeakPolarHBondContact CB-OG1 3.39Å; A537-T567 PolarHBondContact N-O 3.46Å; W542-T567 HydrophobicContact CZ2-CG2 4.19Å; E547-T567 WeakPolarHBondContact OE1-CG2 3.47Å; S564-T567 PolarHBondContact N-OG1 2.55Å; S564-T567 PolarHBondContact O-N 3.12Å; S564-T567 PolarHBondContact O-OG1 2.99Å; S564-T567 VanDerWaalsContact O-OG1 3.06Å; H565-T567 PolarHBondContact O-N 3.42Å
568	L	54.3	Low	46.5	Very low	64 Å²	64	84.8 Å²	84.8	34%	0.335	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-62.5	137.5	177.7	-84.9	158	0	0	0	113	K446 S564 H565 G570 A571	K446-L568 PolarHBondContact NZ-O 3.18Å; S564-L568 PolarHBondContact O-N 3.4Å; H565-L568 WeakPolarHBondContact ND1-CD1 3.45Å; L568-G570 PolarHBondContact O-N 3.13Å; L568-A571 HydrophobicContact CB-CB 3.95Å
569	K	47.1	Very low	45.4	Very low	141 Å²	141	79.3 Å²	79.3	61%	0.613	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	122.1	177.7	-165.9	175.9	-174.8	171.9	0	110.9	Y536 A537 A571	Y536-K569 HydrophobicContact CD1-CG 4.29Å; Y536-K569 HydrophobicContact CD2-CD 4.21Å; Y536-K569 HydrophobicContact CG-CB 4.45Å; Y536-K569 HydrophobicContact CG-CD 4.03Å; Y536-K569 HydrophobicContact CG-CG 4.21Å; A537-K569 PolarHBondContact O-N 3.27Å; K569-A571 VanDerWaalsContact C-N 3.28Å; K569-A571 PolarHBondContact O-N 3.48Å
570	G	47.1	Very low	44.2	Very low	81 Å²	81	83.5 Å²	83.5	84%	0.835	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	11.7	176.1	0	0	0	0	0	115.6	L568 A572	L568-G570 PolarHBondContact O-N 3.13Å; G570-A572 PolarHBondContact O-N 2.63Å
571	A	44.9	Very low	43.2	Very low	34 Å²	34	80.4 Å²	80.4	28%	0.281	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-68.5	123.6	174.2	0	0	0	0	0	110.8	H565 L568 K569	H565-A571 WeakPolarHBondContact O-CB 3.19Å; L568-A571 HydrophobicContact CB-CB 3.95Å; K569-A571 VanDerWaalsContact C-N 3.28Å; K569-A571 PolarHBondContact O-N 3.48Å
572	A	41.8	Very low	41.9	Very low	80 Å²	80	87 Å²	87	66%	0.661	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-69.2	144.8	163.3	0	0	0	0	0	108.9	G570	G570-A572 PolarHBondContact O-N 2.63Å
573	P	43.3	Very low	40.9	Very low	35 Å²	35	86.7 Å²	86.7	23%	0.227	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-57.6	148.3	174.4	23.3	-31.1	0	0	0	110.4	V448 M577	V448-P573 HydrophobicContact CG1-CG 4.22Å; P573-M577 HydrophobicContact CB-CB 4.33Å
574	P	41.1	Very low	39.7	Very low	32 Å²	32	92.5 Å²	92.5	21%	0.208	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-53.1	145.2	178.9	10.1	-20.6	0	0	0	111	F376 E576 M577	F376-P574 HydrophobicContact CD1-CG 3.97Å; F376-P574 HydrophobicContact CE1-CG 3.99Å; P574-E576 PolarHBondContact O-N 3.49Å; P574-M577 PolarHBondContact O-N 3.19Å
575	P	38.4	Very low	38.4	Very low	108 Å²	108	101.9 Å²	101.9	70%	0.701	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-57.8	-20.4	-175.2	12.2	-21.7	0	0	0	114.1	M577 L578	P575-M577 VanDerWaalsContact C-N 3.29Å; P575-M577 PolarHBondContact O-N 2.94Å; P575-L578 WeakPolarHBondContact O-CB 3.05Å; P575-L578 PolarHBondContact O-N 3.32Å; P575-L578 VanDerWaalsContact O-N 3.11Å
576	E	39.5	Very low	37.2	Very low	190 Å²	190	108.3 Å²	108.3	89%	0.888	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-70.4	-20.5	174.7	-67	177.9	170.8	0	0	113.6	P574	P574-E576 PolarHBondContact O-N 3.49Å
577	M	39.2	Very low	36.8	Very low	54 Å²	54	113.6 Å²	113.6	27%	0.266	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-85.5	-8.1	169	-76.5	-161.3	128.5	0	0	113.4	P375 P508 P573 P574 P575 S579	P375-M577 HydrophobicContact CB-CE 3.96Å; P375-M577 HydrophobicContact CB-SD 4.35Å; P375-M577 HydrophobicContact CG-CE 3.9Å; P375-M577 HydrophobicContact CG-SD 4.42Å; P508-M577 HydrophobicContact CG-CE 3.84Å; P573-M577 HydrophobicContact CB-CB 4.33Å; P574-M577 PolarHBondContact O-N 3.19Å; P575-M577 VanDerWaalsContact C-N 3.29Å; P575-M577 PolarHBondContact O-N 2.94Å; M577-S579 PolarHBondContact O-N 3.27Å
578	L	36.9	Very low	36	Very low	109 Å²	109	119.4 Å²	119.4	57%	0.571	66%	0.661	S	S	*	*	S	Bend	trans	-85.2	85.5	168	-64.6	169.7	0	0	0	107.6	P575 A580	P575-L578 WeakPolarHBondContact O-CB 3.05Å; P575-L578 PolarHBondContact O-N 3.32Å; P575-L578 VanDerWaalsContact O-N 3.11Å; L578-A580 PolarHBondContact O-N 3.32Å
579	S	31.4	Very low	34.9	Very low	101 Å²	101	122.5 Å²	122.5	71%	0.706	68%	0.68	S	S	*	*			trans	-48.4	132.1	169.5	65.6	0	0	0	0	109.9	M577 S581	M577-S579 PolarHBondContact O-N 3.27Å; S579-S581 PolarHBondContact O-N 3.33Å
580	A	28.9	Very low	34.2	Very low	111 Å²	111	121.4 Å²	121.4	92%	0.917	68%	0.683	S	S	*	*	S	Bend	trans	-41.5	90.8	-174	0	0	0	0	0	115.5	L578	L578-A580 PolarHBondContact O-N 3.32Å
581	S	27.9	Very low	33.4	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	67%	0.674	S	S	*	*			trans	-155.4	0.5	162.3	63.4	0	0	0	0	116.1	S579	S579-S581 PolarHBondContact O-N 3.33Å
582	Y	25.6	Very low	32.7	Very low	215 Å²	215	129.9 Å²	129.9	84%	0.843	70%	0.7	S	S	*	*			trans	-110	65.2	175.8	-87.6	-91.1	0	0	0	111.9
583	R	23.8	Very low	32	Very low	230 Å²	230	133.5 Å²	133.5	87%	0.868	70%	0.703	S	S	*	*			trans	-113.9	94.2	145.4	-85.6	-173	179.5	176.5	0.9	105.6
584	D	22.8	Very low	31.1	Very low	143 Å²	143	141.1 Å²	141.1	77%	0.765	74%	0.74	S	S	*	*	S	Bend		174.2	141.9	126.1	-85.4	-19.8	0	0	0	110.2
585	E	23.4	Very low	30.3	Very low	197 Å²	197	150.2 Å²	150.2	92%	0.921	78%	0.784	S	S	*	*			trans	89.1	109.5	164.4	-62.7	176.5	-173.3	0	0	118.2
586	L	26	Very low	29.6	Very low	253 Å²	253	154 Å²	154	100%	1.325	79%	0.791	S	S	*	*			trans	-64.6	0	177.7	-82.2	152.7	0	0	0	114.1

Retrieved 586 of 586 residues in 115.2 ms (Link to these results)

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