A0A087X521_POEFO Loading...

Palmitoyl-protein thioesterase 1

AlphaFold DB , UniProt , Accession A0A087X521, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	43.2	Very low	251 Å²	251	141.1 Å²	141.1	100%	1.236	86%	0.858	S	S	*	*				0	105.9	0	-74	176.9	178	0	0	106.9
2	A	38.3	Very low	43.5	Very low	101 Å²	101	136.3 Å²	136.3	84%	0.835	84%	0.844	S	S	*	*			trans	-84.4	131.7	-171.7	0	0	0	0	0	110.5
3	A	41.5	Very low	43.6	Very low	94 Å²	94	135 Å²	135	78%	0.777	84%	0.839	S	S	*	*			trans	-84.6	122.7	174.4	0	0	0	0	0	109.5
4	V	41.5	Very low	43.8	Very low	127 Å²	127	133.9 Å²	133.9	77%	0.77	83%	0.831	S	S	*	*			trans	-89.9	114.4	176.2	176.2	0	0	0	0	108	L6	V4-L6 HydrophobicContact CG1-CD1 4.22Å
5	L	42.2	Very low	43.7	Very low	171 Å²	171	135.2 Å²	135.2	90%	0.895	83%	0.829	S	S	*	*			trans	-79	115.6	166.2	-98.8	90.2	0	0	0	108.9
6	L	41.9	Very low	43.6	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	83%	0.828	S	S	*	*			trans	-83.2	111.3	165.7	-117.9	83.1	0	0	0	108.6	V4	V4-L6 HydrophobicContact CG1-CD1 4.22Å
7	A	43.9	Very low	43.7	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	82%	0.822	S	S	*	*			trans	-86.2	111.6	167.3	0	0	0	0	0	109.1	T9	A7-T9 PolarHBondContact O-N 2.88Å
8	L	42.6	Very low	43.8	Very low	161 Å²	161	133.3 Å²	133.3	84%	0.843	82%	0.82	S	S	*	*			trans	-81.3	103.4	170.4	-89	134.5	0	0	0	109.1	L10	L8-L10 PolarHBondContact O-N 3.41Å
9	T	45.8	Very low	44.2	Very low	132 Å²	132	131.9 Å²	131.9	81%	0.81	82%	0.816	S	S	*	*			trans	-80.9	107.9	168.3	49.9	0	0	0	0	109.5	A7 A11	A7-T9 PolarHBondContact O-N 2.88Å; T9-A11 PolarHBondContact O-N 3.32Å
10	L	46.4	Very low	44.3	Very low	175 Å²	175	127.8 Å²	127.8	92%	0.916	80%	0.8	S	S	*	*			trans	-70.5	104.7	167.9	-84.6	149.5	0	0	0	109.2	L8 A12	L8-L10 PolarHBondContact O-N 3.41Å; L10-A12 PolarHBondContact O-N 3.11Å
11	A	47.7	Very low	44.3	Very low	99 Å²	99	127.9 Å²	127.9	82%	0.818	80%	0.803	S	S	*	*			trans	-78.8	105.8	168.6	0	0	0	0	0	109.1	T9	T9-A11 PolarHBondContact O-N 3.32Å
12	A	47.1	Very low	44.3	Very low	83 Å²	83	122 Å²	122	69%	0.686	78%	0.78	S	S	*	*			trans	-75.5	136.1	167.3	0	0	0	0	0	109.4	L10 V14	L10-A12 PolarHBondContact O-N 3.11Å; A12-V14 PolarHBondContact O-N 3.48Å; A12-V14 VanDerWaalsContact O-N 3.15Å
13	P	45	Very low	44.3	Very low	120 Å²	120	121.9 Å²	121.9	78%	0.779	77%	0.771	S	S	*	*			trans	-72.9	111.1	176.1	28.5	-29.2	0	0	0	108.8	L15	P13-L15 PolarHBondContact O-N 2.95Å; P13-L15 VanDerWaalsContact O-N 3.15Å
14	V	46.1	Very low	44.5	Very low	120 Å²	120	123.6 Å²	123.6	73%	0.727	77%	0.767	S	S	*	*			trans	-71.9	103.5	166	179.4	0	0	0	0	106.7	A12 L16	A12-V14 PolarHBondContact O-N 3.48Å; A12-V14 VanDerWaalsContact O-N 3.15Å; V14-L16 HydrophobicContact CG1-CD1 4.49Å; V14-L16 PolarHBondContact O-N 3.47Å
15	L	41.6	Very low	44.4	Very low	153 Å²	153	123.6 Å²	123.6	80%	0.801	77%	0.768	S	S	*	*			trans	-63.7	98.1	165.8	-98.7	130.7	0	0	0	108	P13 V17	P13-L15 PolarHBondContact O-N 2.95Å; P13-L15 VanDerWaalsContact O-N 3.15Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 3.44Å
16	L	43.1	Very low	44.7	Very low	156 Å²	156	121.9 Å²	121.9	82%	0.817	76%	0.76	S	S	*	*			trans	-67.2	98.4	160.9	-92.9	103	0	0	0	107.6	V14 A18	V14-L16 HydrophobicContact CG1-CD1 4.49Å; V14-L16 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 3.33Å
17	V	45	Very low	45.2	Very low	121 Å²	121	123.5 Å²	123.5	73%	0.733	77%	0.769	S	S	*	*			trans	-69.1	96.6	161.4	-175.9	0	0	0	0	105.9	L15 S19	L15-V17 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 3.44Å; V17-S19 VanDerWaalsContact C-N 3.27Å; V17-S19 PolarHBondContact O-N 3.22Å
18	A	46.3	Very low	46.7	Very low	94 Å²	94	121.7 Å²	121.7	78%	0.777	76%	0.759	S	S	*	*			trans	-65.7	95	165	0	0	0	0	0	107	L16 G20	L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 3.33Å; A18-G20 VanDerWaalsContact C-N 3.26Å; A18-G20 PolarHBondContact O-N 3.24Å
19	S	50.4	Low	49.1	Very low	108 Å²	108	116.2 Å²	116.2	76%	0.755	73%	0.733	S	S	*	*			trans	-65.2	94.3	164.4	46.5	0	0	0	0	107	V17	V17-S19 VanDerWaalsContact C-N 3.27Å; V17-S19 PolarHBondContact O-N 3.22Å
20	G	47.3	Very low	51.5	Low	48 Å²	48	111.1 Å²	111.1	50%	0.495	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-56.6	162.6	163.3	0	0	0	0	0	110.2	A18 V22	A18-G20 VanDerWaalsContact C-N 3.26Å; A18-G20 PolarHBondContact O-N 3.24Å; G20-V22 PolarHBondContact O-N 2.69Å
21	P	43.8	Very low	54	Low	131 Å²	131	103.6 Å²	103.6	85%	0.851	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57.8	117.1	174.1	-8.4	21.7	0	0	0	107.4	P23	P21-P23 VanDerWaalsContact O-CD 3.28Å; P21-P23 WeakPolarHBondContact O-CD 3.49Å
22	V	43.6	Very low	56.4	Low	126 Å²	126	98.9 Å²	98.9	76%	0.764	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-60.6	119.9	166.4	178.2	0	0	0	0	105	G20 D24	G20-V22 PolarHBondContact O-N 2.69Å; V22-D24 PolarHBondContact O-N 3.42Å
23	P	38.2	Very low	58.9	Low	100 Å²	100	95 Å²	95	65%	0.649	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.6	118.5	171.2	-15.6	28.6	0	0	0	106.3	P21 T25	P21-P23 VanDerWaalsContact O-CD 3.28Å; P21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-T25 VanDerWaalsContact C-N 3.27Å; P23-T25 PolarHBondContact O-N 3.28Å
24	D	44.6	Very low	61.5	Low	129 Å²	129	89.2 Å²	89.2	69%	0.69	55%	0.554	S	S	*	*			trans	-69.1	91.2	178.7	-144.3	-10.2	0	0	0	107.1	V22 N26	V22-D24 PolarHBondContact O-N 3.42Å; D24-N26 PolarHBondContact O-N 2.82Å; D24-N26 VanDerWaalsContact O-N 3.12Å
25	T	40.1	Very low	64	Low	128 Å²	128	83.6 Å²	83.6	79%	0.785	52%	0.52	S	S	*	.			trans	-78	22.4	178.8	51.5	0	0	0	0	112	P23 N27	P23-T25 VanDerWaalsContact C-N 3.27Å; P23-T25 PolarHBondContact O-N 3.28Å; T25-N27 PolarHBondContact O-N 3.16Å
26	N	48.3	Very low	66.7	Low	134 Å²	134	76.5 Å²	76.5	72%	0.717	48%	0.483	S	S	*	.			trans	-81	102.2	170.3	-95	-24.6	0	0	0	108.7	D24 G28	D24-N26 PolarHBondContact O-N 2.82Å; D24-N26 VanDerWaalsContact O-N 3.12Å; N26-G28 PolarHBondContact O-N 2.87Å
27	N	53	Low	69.2	Low	184 Å²	184	69.3 Å²	69.3	98%	0.984	45%	0.446	S	S	*	.			trans	-60.4	35.4	157.2	-119.6	10.8	0	0	0	111.6	T25	T25-N27 PolarHBondContact O-N 3.16Å
28	G	74.9	Confident	71.5	Confident	53 Å²	53	65.6 Å²	65.6	55%	0.546	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-103.8	141.4	-173.1	0	0	0	0	0	110.9	N26	N26-G28 PolarHBondContact O-N 2.87Å
29	T	92.3	Very high	73.6	Confident	46 Å²	46	63 Å²	63	28%	0.282	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-64.3	144.1	175.1	53.8	0	0	0	0	111.1	I59 G61 I62	T29-I59 HydrophobicContact CG2-CG2 3.45Å; T29-I59 VanDerWaalsContact CG2-CG2 3.45Å; T29-G61 PolarHBondContact OG1-O 3.46Å; T29-I62 VanDerWaalsContact OG1-CA 3.23Å; T29-I62 WeakPolarHBondContact OG1-CA 3.49Å; T29-I62 PolarHBondContact OG1-N 2.79Å
30	V	97.1	Very high	75.7	Confident	26 Å²	26	58.8 Å²	58.8	16%	0.158	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-70	129.4	172.1	-179.3	0	0	0	0	109.3
31	P	98.4	Very high	78.1	Confident	17 Å²	17	56.8 Å²	56.8	11%	0.11	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-56.8	153.4	175.7	-26.9	35.2	0	0	0	113.8	Y63 R101 L102 N107	P31-Y63 CarbonylContact C-O 3.58Å; P31-Y63 VanDerWaalsContact CA-O 3.29Å; P31-Y63 WeakPolarHBondContact CA-O 3.23Å; P31-Y63 HydrophobicContact CB-CD1 3.92Å; P31-Y63 HydrophobicContact CG-CD1 4.32Å; P31-R101 WeakPolarHBondContact CG-O 3.29Å; P31-L102 HydrophobicContact CB-CD2 3.48Å; P31-L102 VanDerWaalsContact CB-CD2 3.48Å; P31-L102 HydrophobicContact CG-CD2 4.01Å; P31-N107 PolarHBondContact O-N 2.96Å
32	L	98.8	Very high	80.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.2	175.7	178.1	60.1	0	0	0	111	L34 M55 I62 Y63 V64 L65 N107 M109 L302	L32-L34 HydrophobicContact CD1-CD2 4.16Å; L32-L34 HydrophobicContact CD2-CD2 3.7Å; L32-L34 HydrophobicContact CG-CD2 3.72Å; L32-L34 HydrophobicContact CG-CG 4.42Å; L32-M55 HydrophobicContact CD2-CB 4.34Å; L32-M55 HydrophobicContact CD2-CG 3.73Å; L32-M55 HydrophobicContact CD2-SD 4.22Å; L32-I62 HydrophobicContact CB-CD1 3.99Å; L32-Y63 PolarHBondContact N-O 3.34Å; L32-V64 HydrophobicContact CB-CG1 4.5Å; L32-V64 HydrophobicContact CB-CG2 4.47Å; L32-V64 CarbonylContact O-C 3.55Å; L32-V64 WeakPolarHBondContact O-CA 3.3Å; L32-L65 PolarHBondContact O-N 3.2Å; L32-N107 CarbonylContact C-O 3.57Å; L32-N107 WeakPolarHBondContact CA-O 3.5Å; L32-N107 HydrophobicContact CD1-CB 4.15Å; L32-M109 HydrophobicContact CD1-CB 4.01Å; L32-L302 HydrophobicContact CD1-CD2 3.85Å; L32-L302 HydrophobicContact CD2-CD1 4.05Å
33	V	98.9	Very high	83.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.6	171.2	178.1	0	0	0	0	109.2	L65 L67 L96 L102 Y106 N107 A108 M109 L118	V33-L65 CarbonylContact C-O 3.57Å; V33-L65 VanDerWaalsContact CA-O 3.3Å; V33-L65 WeakPolarHBondContact CA-O 3.49Å; V33-L65 HydrophobicContact CG2-CB 4.44Å; V33-L67 HydrophobicContact CG1-CD1 3.68Å; V33-L67 HydrophobicContact CG1-CD2 3.98Å; V33-L67 HydrophobicContact CG1-CG 3.74Å; V33-L96 HydrophobicContact CG1-CD2 4.04Å; V33-L96 HydrophobicContact CG2-CD2 3.77Å; V33-L102 HydrophobicContact CG2-CD1 4.09Å; V33-L102 HydrophobicContact CG2-CD2 4.35Å; V33-Y106 HydrophobicContact CB-CD2 3.95Å; V33-Y106 HydrophobicContact CB-CE2 4.26Å; V33-Y106 HydrophobicContact CG2-CD2 3.43Å; V33-Y106 VanDerWaalsContact CG2-CD2 3.43Å; V33-Y106 HydrophobicContact CG2-CE2 3.96Å; V33-Y106 HydrophobicContact CG2-CG 4.02Å; V33-N107 PolarHBondContact N-O 3.35Å; V33-A108 CarbonylContact O-C 3.57Å; V33-A108 VanDerWaalsContact O-CA 3.31Å; V33-A108 WeakPolarHBondContact O-CA 3.31Å; V33-M109 PolarHBondContact O-N 3.46Å; V33-L118 HydrophobicContact CG1-CD2 4.35Å
34	L	98.9	Very high	85.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.1	175.7	-52.4	179.8	0	0	0	110.6	L32 I51 K52 V64 L65 L67 M109 F111	L32-L34 HydrophobicContact CD1-CD2 4.16Å; L32-L34 HydrophobicContact CD2-CD2 3.7Å; L32-L34 HydrophobicContact CG-CD2 3.72Å; L32-L34 HydrophobicContact CG-CG 4.42Å; L34-I51 HydrophobicContact CD1-CG2 3.98Å; L34-I51 HydrophobicContact CD2-CG2 4.46Å; L34-K52 HydrophobicContact CD1-CB 4.3Å; L34-V64 HydrophobicContact CD1-CG1 3.81Å; L34-V64 HydrophobicContact CG-CG1 3.96Å; L34-L65 PolarHBondContact N-O 2.77Å; L34-L67 WeakPolarHBondContact O-CB 3.5Å; L34-L67 VanDerWaalsContact O-CG 3.27Å; L34-L67 WeakPolarHBondContact O-CG 3.18Å; L34-L67 PolarHBondContact O-N 3.46Å; L34-M109 WeakPolarHBondContact CA-O 3.39Å; L34-M109 HydrophobicContact CD2-CB 3.82Å; L34-M109 HydrophobicContact CD2-CG 4.43Å; L34-M109 HydrophobicContact CD2-SD 4.45Å; L34-F111 HydrophobicContact CD2-CE2 4.4Å
35	W	98.9	Very high	88.2	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.2	167.1	-155.7	-32.8	0	0	0	109.8	L67 I69 Q88 V89 V92 M109 G110 F111 F117 L118 V121	W35-L67 HydrophobicContact CB-CD1 4.01Å; W35-L67 HydrophobicContact CD2-CD1 3.77Å; W35-L67 HydrophobicContact CE3-CD1 3.64Å; W35-L67 HydrophobicContact CG-CD1 3.96Å; W35-L67 HydrophobicContact CZ3-CD1 4.43Å; W35-I69 HydrophobicContact CZ2-CD1 4.18Å; W35-I69 HydrophobicContact CZ2-CG1 4.39Å; W35-Q88 HydrophobicContact CH2-CB 4.29Å; W35-Q88 HydrophobicContact CZ2-CB 4Å; W35-V89 HydrophobicContact CH2-CG2 4.12Å; W35-V92 HydrophobicContact CE3-CG1 4.31Å; W35-V92 HydrophobicContact CE3-CG2 4.17Å; W35-V92 HydrophobicContact CH2-CB 4.07Å; W35-V92 HydrophobicContact CH2-CG2 3.5Å; W35-V92 HydrophobicContact CZ2-CG2 3.92Å; W35-V92 HydrophobicContact CZ3-CB 3.92Å; W35-V92 HydrophobicContact CZ3-CG1 3.91Å; W35-V92 HydrophobicContact CZ3-CG2 3.64Å; W35-M109 PolarHBondContact N-O 2.84Å; W35-G110 WeakPolarHBondContact O-CA 3.48Å; W35-F111 PolarHBondContact O-N 3.03Å; W35-F117 HydrophobicContact CD2-CB 3.95Å; W35-F117 HydrophobicContact CD2-CD2 4.39Å; W35-F117 AromaticContact CE2-CD2 3.73Å; W35-F117 HydrophobicContact CE3-CB 3.82Å; W35-F117 HydrophobicContact CH2-CB 3.74Å; W35-F117 HydrophobicContact CH2-CD2 4.39Å; W35-F117 HydrophobicContact CH2-CG 4.44Å; W35-F117 HydrophobicContact CZ2-CB 3.9Å; W35-F117 AromaticContact CZ2-CD2 3.74Å; W35-F117 HydrophobicContact CZ2-CD2 3.74Å; W35-F117 HydrophobicContact CZ2-CG 4.23Å; W35-F117 HydrophobicContact CZ3-CB 3.7Å; W35-F117 AromaticContact NE1-CD2 3.87Å; W35-L118 HydrophobicContact CB-CD1 3.74Å; W35-L118 HydrophobicContact CB-CD2 4.39Å; W35-L118 HydrophobicContact CB-CG 3.84Å; W35-L118 HydrophobicContact CD2-CG 4.49Å; W35-L118 HydrophobicContact CE3-CD2 3.77Å; W35-L118 HydrophobicContact CE3-CG 3.8Å; W35-V121 HydrophobicContact CZ3-CG2 3.73Å
36	H	98.6	Very high	90.7	Very high	3 Å²	3	46 Å²	46	1%	0.014	28%	0.282	C	S	.	.			trans	-70.5	166.2	-179	70.8	83.7	0	0	0	113.4	D40 M48 D76 F111	H36-D40 HydrophobicContact CB-CB 4.28Å; H36-D40 PolarHBondContact CE1-O 3.07Å; H36-D40 VanDerWaalsContact CE1-O 3.25Å; H36-D40 PolarHBondContact ND1-O 2.96Å; H36-M48 HydrophobicContact CB-CG 3.57Å; H36-M48 HydrophobicContact CB-SD 3.93Å; H36-D76 IonicContact CD2-OD2 2.77Å; H36-D76 IonicContact NE2-OD1 3.65Å; H36-D76 PolarHBondContact NE2-OD1 3.37Å; H36-D76 VanDerWaalsContact NE2-OD1 3.13Å; H36-D76 IonicContact NE2-OD2 3.32Å; H36-F111 CarbonylContact C-O 3.53Å
37	G	96.4	Very high	92.9	Very high	5 Å²	5	41.3 Å²	41.3	5%	0.052	26%	0.259	C	S	.	.			trans	-86	-177.1	176.7	0	0	0	0	0	114	G39 D40 F111	G37-G39 PolarHBondContact O-N 3.08Å; G37-D40 PolarHBondContact O-N 2.83Å; G37-F111 WeakPolarHBondContact CA-O 3.49Å; G37-F111 PolarHBondContact N-O 3.39Å
38	M	93.4	Very high	95.1	Very high	43 Å²	43	32.8 Å²	32.8	21%	0.212	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	133.8	175.8	-175.9	178.6	66.5	0	0	111.3	D40 F81 Q113 Q179	M38-D40 PolarHBondContact O-N 3.39Å; M38-F81 HydrophobicContact CE-CE1 4.38Å; M38-F81 HydrophobicContact CG-CD1 3.72Å; M38-F81 HydrophobicContact CG-CE1 3.2Å; M38-F81 HydrophobicContact CG-CE2 4.46Å; M38-F81 HydrophobicContact CG-CZ 3.63Å; M38-F81 HydrophobicContact SD-CD1 3.95Å; M38-F81 HydrophobicContact SD-CE1 3.49Å; M38-F81 WeakPolarHBondContact SD-CE1 3.39Å; M38-F81 HydrophobicContact SD-CZ 4.4Å; M38-Q113 HydrophobicContact CB-CG 4.45Å; M38-Q179 HydrophobicContact SD-CG 3.8Å; M38-Q179 PolarHBondContact SD-NE2 2.9Å
39	G	88.6	Confident	96.1	Very high	39 Å²	39	31.3 Å²	31.3	40%	0.402	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	4.5	174.5	0	0	0	0	0	116.4	G37 F81	G37-G39 PolarHBondContact O-N 3.08Å; G39-F81 VanDerWaalsContact CA-CE2 3.48Å
40	D	95.3	Very high	96.4	Very high	21 Å²	21	31.4 Å²	31.4	11%	0.112	20%	0.201	C	C	.	.			trans	-105.6	-168.6	173.1	-162.4	11.4	0	0	0	111.5	H36 G37 M38 N44 S47 T77	H36-D40 HydrophobicContact CB-CB 4.28Å; H36-D40 PolarHBondContact CE1-O 3.07Å; H36-D40 VanDerWaalsContact CE1-O 3.25Å; H36-D40 PolarHBondContact ND1-O 2.96Å; G37-D40 PolarHBondContact O-N 2.83Å; M38-D40 PolarHBondContact O-N 3.39Å; D40-N44 WeakPolarHBondContact OD1-CB 3.16Å; D40-N44 PolarHBondContact OD1-ND2 3.3Å; D40-S47 WeakPolarHBondContact OD2-CB 3.49Å; D40-S47 PolarHBondContact OD2-OG 2.96Å; D40-T77 VanDerWaalsContact O-CA 3.29Å; D40-T77 WeakPolarHBondContact O-CA 3.36Å; D40-T77 PolarHBondContact O-OG1 2.96Å
41	S	97.4	Very high	96.4	Very high	5 Å²	5	30.7 Å²	30.7	4%	0.035	20%	0.196	C	C	.	.			trans	-147	168.9	175.1	61.4	0	0	0	0	111.3	C43 M48 D76	S41-C43 PolarHBondContact O-N 3.32Å; S41-M48 VanDerWaalsContact O-CG 3.31Å; S41-M48 WeakPolarHBondContact O-CG 3.47Å; S41-D76 WeakPolarHBondContact CA-OD2 3.19Å; S41-D76 WeakPolarHBondContact CB-OD2 3.46Å
42	C	97.3	Very high	96.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.02	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-28.9	176.1	68.3	0	0	0	0	114.6	M48 S66 L67 M68 D76	C42-M48 WeakPolarHBondContact O-CB 3.35Å; C42-S66 WeakPolarHBondContact CA-OG 3.44Å; C42-S66 VanDerWaalsContact O-CB 3.22Å; C42-S66 WeakPolarHBondContact O-CB 3.46Å; C42-S66 PolarHBondContact O-OG 3.01Å; C42-L67 WeakPolarHBondContact CB-O 3.47Å; C42-M68 HydrophobicContact CB-CB 3.98Å; C42-M68 WeakPolarHBondContact SG-CE 3.2Å; C42-D76 PolarHBondContact N-OD2 2.99Å
43	C	95.8	Very high	96.3	Very high	68 Å²	68	39.2 Å²	39.2	46%	0.459	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	8.4	-149.7	-54.8	0	0	0	0	113.7	S41 P45	S41-C43 PolarHBondContact O-N 3.32Å; C43-P45 WeakPolarHBondContact O-CD 3.36Å
44	N	94.1	Very high	96.2	Very high	57 Å²	57	40.4 Å²	40.4	31%	0.305	24%	0.237	S	C	.	.			trans	-61.2	118.6	176.1	-178.6	-12.4	0	0	0	110.6	D40 L46 S47 M48 G49	D40-N44 WeakPolarHBondContact OD1-CB 3.16Å; D40-N44 PolarHBondContact OD1-ND2 3.3Å; N44-L46 PolarHBondContact O-N 3.46Å; N44-L46 VanDerWaalsContact O-N 3.09Å; N44-L46 PolarHBondContact OD1-N 2.86Å; N44-L46 VanDerWaalsContact OD1-N 3.07Å; N44-S47 CarbonylContact O-C 3.47Å; N44-S47 PolarHBondContact O-N 3.23Å; N44-M48 PolarHBondContact O-N 3.15Å; N44-G49 WeakPolarHBondContact O-CA 3.15Å; N44-G49 PolarHBondContact O-N 3.38Å
45	P	95.1	Very high	96.2	Very high	103 Å²	103	40.4 Å²	40.4	67%	0.669	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	-176.5	-25.5	35.1	0	0	0	114.7	C43 S50	C43-P45 WeakPolarHBondContact O-CD 3.36Å; P45-S50 WeakPolarHBondContact O-CB 3.42Å; P45-S50 PolarHBondContact O-N 2.97Å
46	L	93.4	Very high	96	Very high	158 Å²	158	44.5 Å²	44.5	83%	0.827	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.2	-179.4	-60.2	177.1	0	0	0	113.4	N44	N44-L46 PolarHBondContact O-N 3.46Å; N44-L46 VanDerWaalsContact O-N 3.09Å; N44-L46 PolarHBondContact OD1-N 2.86Å; N44-L46 VanDerWaalsContact OD1-N 3.07Å
47	S	95.3	Very high	95.9	Very high	35 Å²	35	48.8 Å²	48.8	25%	0.245	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-106.7	-179.8	-179.4	0	0	0	0	110.1	D40 N44 G49 S50 I51	D40-S47 WeakPolarHBondContact OD2-CB 3.49Å; D40-S47 PolarHBondContact OD2-OG 2.96Å; N44-S47 CarbonylContact O-C 3.47Å; N44-S47 PolarHBondContact O-N 3.23Å; S47-G49 VanDerWaalsContact C-N 3.25Å; S47-G49 PolarHBondContact O-N 3.12Å; S47-G49 VanDerWaalsContact O-N 3.17Å; S47-S50 WeakPolarHBondContact O-CA 3.49Å; S47-S50 WeakPolarHBondContact O-CB 3.42Å; S47-S50 PolarHBondContact O-N 3.01Å; S47-S50 PolarHBondContact O-OG 3.43Å; S47-I51 PolarHBondContact O-N 3.44Å; S47-I51 VanDerWaalsContact O-N 3.13Å
48	M	97.9	Very high	95.9	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-32.1	-175.7	-65.6	-58.1	96	0	0	114.2	H36 S41 C42 N44 S50 I51 K52 F111	H36-M48 HydrophobicContact CB-CG 3.57Å; H36-M48 HydrophobicContact CB-SD 3.93Å; S41-M48 VanDerWaalsContact O-CG 3.31Å; S41-M48 WeakPolarHBondContact O-CG 3.47Å; C42-M48 WeakPolarHBondContact O-CB 3.35Å; N44-M48 PolarHBondContact O-N 3.15Å; M48-S50 VanDerWaalsContact C-N 3.3Å; M48-S50 PolarHBondContact O-N 3.29Å; M48-I51 HydrophobicContact CE-CG1 4.19Å; M48-I51 PolarHBondContact O-N 3.45Å; M48-K52 WeakPolarHBondContact O-CB 3.44Å; M48-K52 PolarHBondContact O-N 3.3Å; M48-F111 HydrophobicContact CE-CB 4.31Å; M48-F111 HydrophobicContact CE-CD1 4.15Å; M48-F111 HydrophobicContact CE-CD2 3.64Å; M48-F111 HydrophobicContact CE-CE1 4.42Å; M48-F111 HydrophobicContact CE-CE2 3.92Å; M48-F111 HydrophobicContact CE-CG 3.76Å; M48-F111 HydrophobicContact CE-CZ 4.31Å; M48-F111 HydrophobicContact SD-CD2 3.56Å; M48-F111 VanDerWaalsContact SD-CD2 3.56Å; M48-F111 HydrophobicContact SD-CE2 3.86Å; M48-F111 HydrophobicContact SD-CG 4.24Å
49	G	97.4	Very high	96	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-36.6	173.1	0	0	0	0	0	112.5	N44 S47 K53	N44-G49 WeakPolarHBondContact O-CA 3.15Å; N44-G49 PolarHBondContact O-N 3.38Å; S47-G49 VanDerWaalsContact C-N 3.25Å; S47-G49 PolarHBondContact O-N 3.12Å; S47-G49 VanDerWaalsContact O-N 3.17Å; G49-K53 WeakPolarHBondContact O-CB 3.38Å; G49-K53 PolarHBondContact O-N 2.84Å
50	S	96.9	Very high	96.3	Very high	49 Å²	49	52.5 Å²	52.5	34%	0.343	29%	0.291	S	S	.	.	H	α-helix	trans	-70.5	-41.1	175.8	77.8	0	0	0	0	112	P45 S47 M48 K53 M54	P45-S50 WeakPolarHBondContact O-CB 3.42Å; P45-S50 PolarHBondContact O-N 2.97Å; S47-S50 WeakPolarHBondContact O-CA 3.49Å; S47-S50 WeakPolarHBondContact O-CB 3.42Å; S47-S50 PolarHBondContact O-N 3.01Å; S47-S50 PolarHBondContact O-OG 3.43Å; M48-S50 VanDerWaalsContact C-N 3.3Å; M48-S50 PolarHBondContact O-N 3.29Å; S50-K53 PolarHBondContact O-N 3.18Å; S50-M54 WeakPolarHBondContact O-CB 3.18Å; S50-M54 PolarHBondContact O-N 3.22Å
51	I	97.9	Very high	96.3	Very high	11 Å²	11	55 Å²	55	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-49.6	174.5	-62.4	-60.2	0	0	0	110.2	L34 S47 M48 K53 M54 M55 F111 F289	L34-I51 HydrophobicContact CD1-CG2 3.98Å; L34-I51 HydrophobicContact CD2-CG2 4.46Å; S47-I51 PolarHBondContact O-N 3.44Å; S47-I51 VanDerWaalsContact O-N 3.13Å; M48-I51 HydrophobicContact CE-CG1 4.19Å; M48-I51 PolarHBondContact O-N 3.45Å; I51-K53 VanDerWaalsContact C-N 3.34Å; I51-K53 PolarHBondContact O-N 3Å; I51-M54 WeakPolarHBondContact O-CB 3.37Å; I51-M54 PolarHBondContact O-N 3.06Å; I51-M55 HydrophobicContact CG2-CG 4.48Å; I51-M55 WeakPolarHBondContact O-CG 3.39Å; I51-M55 PolarHBondContact O-N 2.82Å; I51-F111 HydrophobicContact CB-CZ 4.47Å; I51-F111 HydrophobicContact CD1-CE1 4.43Å; I51-F111 HydrophobicContact CD1-CZ 4.23Å; I51-F111 HydrophobicContact CG1-CE1 4.41Å; I51-F111 HydrophobicContact CG1-CZ 3.96Å; I51-F111 HydrophobicContact CG2-CE2 4.19Å; I51-F111 HydrophobicContact CG2-CZ 3.85Å; I51-F289 HydrophobicContact CD1-CE2 4.23Å; I51-F289 HydrophobicContact CD1-CZ 4.03Å
52	K	98.2	Very high	96.3	Very high	69 Å²	69	55.4 Å²	55.4	30%	0.3	32%	0.323	S	S	.	.	H	α-helix	trans	-55.9	-49.2	177.8	171.9	165.9	176.7	159.8	0	111.4	L34 M48 M54 M55 E56 V64	L34-K52 HydrophobicContact CD1-CB 4.3Å; M48-K52 WeakPolarHBondContact O-CB 3.44Å; M48-K52 PolarHBondContact O-N 3.3Å; K52-M54 VanDerWaalsContact C-N 3.34Å; K52-M54 PolarHBondContact O-N 2.92Å; K52-M55 PolarHBondContact O-N 2.88Å; K52-M55 VanDerWaalsContact O-N 3.15Å; K52-E56 WeakPolarHBondContact CE-OE1 3.41Å; K52-E56 IonicContact NZ-OE1 3.13Å; K52-E56 WeakPolarHBondContact O-CG 3.25Å; K52-E56 PolarHBondContact O-N 2.93Å; K52-V64 HydrophobicContact CB-CG1 4.27Å; K52-V64 HydrophobicContact CD-CB 4.31Å; K52-V64 HydrophobicContact CD-CG1 4.26Å; K52-V64 HydrophobicContact CG-CB 4.05Å; K52-V64 HydrophobicContact CG-CG1 3.95Å; K52-V64 PolarHBondContact NZ-O 3.26Å
53	K	97.5	Very high	96.4	Very high	127 Å²	127	57.5 Å²	57.5	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-60	-44.2	178.1	-176.9	-180	177.9	-170.2	0	111.7	G49 S50 I51 M55 E56 E57	G49-K53 WeakPolarHBondContact O-CB 3.38Å; G49-K53 PolarHBondContact O-N 2.84Å; S50-K53 PolarHBondContact O-N 3.18Å; I51-K53 VanDerWaalsContact C-N 3.34Å; I51-K53 PolarHBondContact O-N 3Å; K53-M55 VanDerWaalsContact C-N 3.28Å; K53-M55 PolarHBondContact O-N 2.82Å; K53-E56 PolarHBondContact O-N 3.12Å; K53-E57 WeakPolarHBondContact CE-OE1 3.21Å; K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 3.01Å
54	M	96.9	Very high	96.5	Very high	24 Å²	24	54.4 Å²	54.4	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-41.8	175.9	-174.5	-169.4	-61.5	0	0	111.3	S50 I51 K52 E57 E58 R291 F294	S50-M54 WeakPolarHBondContact O-CB 3.18Å; S50-M54 PolarHBondContact O-N 3.22Å; I51-M54 WeakPolarHBondContact O-CB 3.37Å; I51-M54 PolarHBondContact O-N 3.06Å; K52-M54 VanDerWaalsContact C-N 3.34Å; K52-M54 PolarHBondContact O-N 2.92Å; M54-E57 PolarHBondContact O-N 2.7Å; M54-E58 HydrophobicContact CG-CG 4.21Å; M54-E58 WeakPolarHBondContact O-CB 3.3Å; M54-E58 WeakPolarHBondContact O-CG 3.15Å; M54-E58 PolarHBondContact O-N 3.06Å; M54-R291 HydrophobicContact CE-CB 4.16Å; M54-R291 HydrophobicContact CE-CG 3.8Å; M54-R291 HydrophobicContact SD-CG 4.05Å; M54-F294 HydrophobicContact SD-CD1 3.92Å; M54-F294 HydrophobicContact SD-CE1 4.38Å; M54-F294 HydrophobicContact SD-CG 4.23Å
55	M	97.3	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-40.1	-179.9	-65.7	-57.8	91.9	0	0	112.2	L32 I51 K52 K53 E57 E58 I59 I62 V64 F294 L299 L302	L32-M55 HydrophobicContact CD2-CB 4.34Å; L32-M55 HydrophobicContact CD2-CG 3.73Å; L32-M55 HydrophobicContact CD2-SD 4.22Å; I51-M55 HydrophobicContact CG2-CG 4.48Å; I51-M55 WeakPolarHBondContact O-CG 3.39Å; I51-M55 PolarHBondContact O-N 2.82Å; K52-M55 PolarHBondContact O-N 2.88Å; K52-M55 VanDerWaalsContact O-N 3.15Å; K53-M55 VanDerWaalsContact C-N 3.28Å; K53-M55 PolarHBondContact O-N 2.82Å; M55-E57 VanDerWaalsContact C-N 3.29Å; M55-E57 PolarHBondContact O-N 2.82Å; M55-E58 PolarHBondContact O-N 3Å; M55-I59 PolarHBondContact O-N 2.96Å; M55-I62 WeakPolarHBondContact O-CG2 3.45Å; M55-V64 HydrophobicContact CB-CG2 4.04Å; M55-F294 HydrophobicContact CE-CD1 3.9Å; M55-F294 HydrophobicContact CE-CE1 3.1Å; M55-F294 HydrophobicContact CE-CZ 3.65Å; M55-F294 HydrophobicContact SD-CE1 3.75Å; M55-F294 HydrophobicContact SD-CZ 3.93Å; M55-L299 HydrophobicContact CE-CD2 3.95Å; M55-L299 HydrophobicContact CE-CG 4.41Å; M55-L299 HydrophobicContact SD-CD2 3.91Å; M55-L302 HydrophobicContact SD-CD1 3.73Å
56	E	96.3	Very high	96.9	Very high	88 Å²	88	48.5 Å²	48.5	41%	0.411	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-29.3	175.6	-67.8	172.2	164.6	0	0	112.6	K52 K53 I62 V64	K52-E56 WeakPolarHBondContact CE-OE1 3.41Å; K52-E56 IonicContact NZ-OE1 3.13Å; K52-E56 WeakPolarHBondContact O-CG 3.25Å; K52-E56 PolarHBondContact O-N 2.93Å; K53-E56 PolarHBondContact O-N 3.12Å; E56-I62 HydrophobicContact CG-CG2 4.39Å; E56-V64 HydrophobicContact CG-CG2 4.07Å
57	E	96.1	Very high	97.2	Very high	93 Å²	93	41 Å²	41	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-73.3	-45.3	172.8	-73.6	173.3	-175.7	0	0	112.6	K53 M54 M55 R291	K53-E57 WeakPolarHBondContact CE-OE1 3.21Å; K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 3.01Å; M54-E57 PolarHBondContact O-N 2.7Å; M55-E57 VanDerWaalsContact C-N 3.29Å; M55-E57 PolarHBondContact O-N 2.82Å; E57-R291 IonicContact OE2-CZ 3.6Å; E57-R291 IonicContact OE2-NH1 3.48Å; E57-R291 PolarHBondContact OE2-NH1 2.88Å; E57-R291 VanDerWaalsContact OE2-NH1 3.16Å; E57-R291 IonicContact OE2-NH2 2.87Å; E57-R291 PolarHBondContact OE2-NH2 3.43Å
58	E	95.8	Very high	97.3	Very high	47 Å²	47	42.1 Å²	42.1	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-84.8	-18.7	-170.8	-65	-71.1	164.2	0	0	113.9	M54 M55 R291 L299 R303	M54-E58 HydrophobicContact CG-CG 4.21Å; M54-E58 WeakPolarHBondContact O-CB 3.3Å; M54-E58 WeakPolarHBondContact O-CG 3.15Å; M54-E58 PolarHBondContact O-N 3.06Å; M55-E58 PolarHBondContact O-N 3Å; E58-R291 IonicContact OE1-CZ 3.5Å; E58-R291 IonicContact OE1-NE 3.55Å; E58-R291 IonicContact OE1-NH2 2.82Å; E58-R291 PolarHBondContact OE1-NH2 3.36Å; E58-L299 HydrophobicContact CB-CD1 3.58Å; E58-L299 HydrophobicContact CB-CD2 3.94Å; E58-L299 HydrophobicContact CB-CG 4.42Å; E58-L299 HydrophobicContact CG-CD1 3.77Å; E58-R303 PolarHBondContact O-NH2 3.14Å
59	I	96.1	Very high	97.3	Very high	9 Å²	9	42 Å²	42	5%	0.046	24%	0.236	C	C	.	.	S	Bend	trans	-132.6	86.1	179.1	-49.5	179.9	0	0	0	109	T29 M55 G61 I62 L299 L302 R303	T29-I59 HydrophobicContact CG2-CG2 3.45Å; T29-I59 VanDerWaalsContact CG2-CG2 3.45Å; M55-I59 PolarHBondContact O-N 2.96Å; I59-G61 PolarHBondContact O-N 3.31Å; I59-I62 HydrophobicContact CB-CB 4.05Å; I59-I62 HydrophobicContact CB-CD1 4.32Å; I59-I62 HydrophobicContact CB-CG2 4.03Å; I59-I62 HydrophobicContact CD1-CD1 3.89Å; I59-I62 HydrophobicContact CG2-CB 3.93Å; I59-I62 HydrophobicContact CG2-CD1 4.27Å; I59-I62 HydrophobicContact CG2-CG2 4.46Å; I59-I62 WeakPolarHBondContact O-CB 3.23Å; I59-I62 WeakPolarHBondContact O-CG2 3.17Å; I59-I62 PolarHBondContact O-N 3.1Å; I59-I62 VanDerWaalsContact O-N 3.12Å; I59-L299 HydrophobicContact CD1-CD2 3.66Å; I59-L299 HydrophobicContact CG1-CD2 3.78Å; I59-L302 HydrophobicContact CD1-CB 3.77Å; I59-R303 HydrophobicContact CD1-CG 4.24Å; I59-R303 HydrophobicContact CG1-CG 4.35Å
60	P	95.1	Very high	97.3	Very high	109 Å²	109	42.2 Å²	42.2	71%	0.708	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	125.5	-178.1	-27.1	35.7	0	0	0	112.7
61	G	95.1	Very high	97.3	Very high	74 Å²	74	48.8 Å²	48.8	76%	0.763	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	0.1	178.7	0	0	0	0	0	115.4	T29 I59 Y63	T29-G61 PolarHBondContact OG1-O 3.46Å; I59-G61 PolarHBondContact O-N 3.31Å; G61-Y63 PolarHBondContact O-N 3.5Å
62	I	97.7	Very high	97.2	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.067	28%	0.277	C	S	.	.			trans	-63	135.4	176.3	-165.5	168.8	0	0	0	112.3	T29 L32 M55 E56 I59 V64	T29-I62 VanDerWaalsContact OG1-CA 3.23Å; T29-I62 WeakPolarHBondContact OG1-CA 3.49Å; T29-I62 PolarHBondContact OG1-N 2.79Å; L32-I62 HydrophobicContact CB-CD1 3.99Å; M55-I62 WeakPolarHBondContact O-CG2 3.45Å; E56-I62 HydrophobicContact CG-CG2 4.39Å; I59-I62 HydrophobicContact CB-CB 4.05Å; I59-I62 HydrophobicContact CB-CD1 4.32Å; I59-I62 HydrophobicContact CB-CG2 4.03Å; I59-I62 HydrophobicContact CD1-CD1 3.89Å; I59-I62 HydrophobicContact CG2-CB 3.93Å; I59-I62 HydrophobicContact CG2-CD1 4.27Å; I59-I62 HydrophobicContact CG2-CG2 4.46Å; I59-I62 WeakPolarHBondContact O-CB 3.23Å; I59-I62 WeakPolarHBondContact O-CG2 3.17Å; I59-I62 PolarHBondContact O-N 3.1Å; I59-I62 VanDerWaalsContact O-N 3.12Å; I62-V64 HydrophobicContact CG1-CG2 4.31Å; I62-V64 HydrophobicContact CG2-CG2 3.84Å
63	Y	98.3	Very high	97.2	Very high	48 Å²	48	51.5 Å²	51.5	19%	0.188	28%	0.281	C	S	.	.			trans	-88.1	118	167.2	175	-122.2	0	0	0	109.8	P31 L32 G61 L65 D99 R101 L102	P31-Y63 CarbonylContact C-O 3.58Å; P31-Y63 VanDerWaalsContact CA-O 3.29Å; P31-Y63 WeakPolarHBondContact CA-O 3.23Å; P31-Y63 HydrophobicContact CB-CD1 3.92Å; P31-Y63 HydrophobicContact CG-CD1 4.32Å; L32-Y63 PolarHBondContact N-O 3.34Å; G61-Y63 PolarHBondContact O-N 3.5Å; Y63-L65 HydrophobicContact CE1-CB 4.1Å; Y63-D99 PolarHBondContact OH-OD2 3.46Å; Y63-R101 HydrophobicContact CD1-CB 3.77Å; Y63-R101 HydrophobicContact CD1-CG 4.45Å; Y63-R101 HydrophobicContact CE1-CB 4.08Å; Y63-R101 PolarHBondContact OH-NH2 2.66Å; Y63-L102 HydrophobicContact CD1-CD2 4.03Å; Y63-L102 HydrophobicContact CE1-CD2 3.91Å; Y63-L102 HydrophobicContact CE1-CG 4.5Å
64	V	98.6	Very high	97	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.8	177	-170.2	0	0	0	0	111.2	L32 L34 K52 M55 E56 I62	L32-V64 HydrophobicContact CB-CG1 4.5Å; L32-V64 HydrophobicContact CB-CG2 4.47Å; L32-V64 CarbonylContact O-C 3.55Å; L32-V64 WeakPolarHBondContact O-CA 3.3Å; L34-V64 HydrophobicContact CD1-CG1 3.81Å; L34-V64 HydrophobicContact CG-CG1 3.96Å; K52-V64 HydrophobicContact CB-CG1 4.27Å; K52-V64 HydrophobicContact CD-CB 4.31Å; K52-V64 HydrophobicContact CD-CG1 4.26Å; K52-V64 HydrophobicContact CG-CB 4.05Å; K52-V64 HydrophobicContact CG-CG1 3.95Å; K52-V64 PolarHBondContact NZ-O 3.26Å; M55-V64 HydrophobicContact CB-CG2 4.04Å; E56-V64 HydrophobicContact CG-CG2 4.07Å; I62-V64 HydrophobicContact CG1-CG2 4.31Å; I62-V64 HydrophobicContact CG2-CG2 3.84Å
65	L	98.8	Very high	97.1	Very high	21 Å²	21	52 Å²	52	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	108	170.8	178.1	59.2	0	0	0	109.6	L32 V33 L34 Y63 L67 L96 L102	L32-L65 PolarHBondContact O-N 3.2Å; V33-L65 CarbonylContact C-O 3.57Å; V33-L65 VanDerWaalsContact CA-O 3.3Å; V33-L65 WeakPolarHBondContact CA-O 3.49Å; V33-L65 HydrophobicContact CG2-CB 4.44Å; L34-L65 PolarHBondContact N-O 2.77Å; Y63-L65 HydrophobicContact CE1-CB 4.1Å; L65-L67 HydrophobicContact CD2-CD2 4.09Å; L65-L67 HydrophobicContact CG-CD2 4.28Å; L65-L96 HydrophobicContact CD2-CD2 4.01Å; L65-L102 HydrophobicContact CD2-CD1 4Å
66	S	98.8	Very high	97.1	Very high	16 Å²	16	52 Å²	52	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.6	167.4	-164.8	0	0	0	0	108.7	C42	C42-S66 WeakPolarHBondContact CA-OG 3.44Å; C42-S66 VanDerWaalsContact O-CB 3.22Å; C42-S66 WeakPolarHBondContact O-CB 3.46Å; C42-S66 PolarHBondContact O-OG 3.01Å
67	L	98.8	Very high	97	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.284	C	S	.	.			trans	-65.7	137.2	-173.5	-64.1	169.9	0	0	0	110.8	V33 L34 W35 C42 L65 V92 L96 L118	V33-L67 HydrophobicContact CG1-CD1 3.68Å; V33-L67 HydrophobicContact CG1-CD2 3.98Å; V33-L67 HydrophobicContact CG1-CG 3.74Å; L34-L67 WeakPolarHBondContact O-CB 3.5Å; L34-L67 VanDerWaalsContact O-CG 3.27Å; L34-L67 WeakPolarHBondContact O-CG 3.18Å; L34-L67 PolarHBondContact O-N 3.46Å; W35-L67 HydrophobicContact CB-CD1 4.01Å; W35-L67 HydrophobicContact CD2-CD1 3.77Å; W35-L67 HydrophobicContact CE3-CD1 3.64Å; W35-L67 HydrophobicContact CG-CD1 3.96Å; W35-L67 HydrophobicContact CZ3-CD1 4.43Å; C42-L67 WeakPolarHBondContact CB-O 3.47Å; L65-L67 HydrophobicContact CD2-CD2 4.09Å; L65-L67 HydrophobicContact CG-CD2 4.28Å; L67-V92 HydrophobicContact CD1-CG1 3.68Å; L67-V92 HydrophobicContact CD1-CG2 3.95Å; L67-V92 HydrophobicContact CD2-CG1 4.08Å; L67-V92 HydrophobicContact CD2-CG2 4.39Å; L67-L96 HydrophobicContact CD2-CD2 4.31Å; L67-L118 HydrophobicContact CD1-CD2 4.36Å
68	M	98.5	Very high	97	Very high	58 Å²	58	50.4 Å²	50.4	29%	0.286	29%	0.287	S	S	.	.			trans	-121	120.3	172.1	-177.6	-168.7	-72.3	0	0	108.5	C42 G70 V73 D76	C42-M68 HydrophobicContact CB-CB 3.98Å; C42-M68 WeakPolarHBondContact SG-CE 3.2Å; M68-G70 PolarHBondContact O-N 2.92Å; M68-V73 HydrophobicContact CE-CG2 4.31Å; M68-D76 WeakPolarHBondContact CA-OD1 3.37Å; M68-D76 HydrophobicContact CG-CB 3.92Å
69	I	98.3	Very high	97.1	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	29%	0.285	C	S	.	.			trans	-98.6	83.8	178.4	-48.2	-55.6	0	0	0	108.9	W35 D76 N79 L83 Q88 M91 V92	W35-I69 HydrophobicContact CZ2-CD1 4.18Å; W35-I69 HydrophobicContact CZ2-CG1 4.39Å; I69-D76 PolarHBondContact N-OD1 3.43Å; I69-D76 WeakPolarHBondContact O-CA 3.34Å; I69-N79 HydrophobicContact CG2-CB 4.17Å; I69-N79 PolarHBondContact O-ND2 3.29Å; I69-L83 HydrophobicContact CG2-CD2 3.68Å; I69-Q88 HydrophobicContact CG2-CB 4.34Å; I69-Q88 HydrophobicContact CG2-CG 3.97Å; I69-M91 HydrophobicContact CG2-CE 4.02Å; I69-M91 HydrophobicContact CG2-SD 4.26Å; I69-V92 HydrophobicContact CD1-CG2 3.41Å; I69-V92 VanDerWaalsContact CD1-CG2 3.41Å
70	G	96.6	Very high	97	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	28%	0.284	S	S	.	.	S	Bend	trans	143.9	-171.2	-179.3	0	0	0	0	0	111.6	M68	M68-G70 PolarHBondContact O-N 2.92Å
71	K	96.4	Very high	96.9	Very high	187 Å²	187	45.3 Å²	45.3	81%	0.813	25%	0.254	S	S	*	.	S	Bend	trans	-89.8	-16.3	-179.8	-62	-178.9	-179.3	178.2	0	113.4
72	N	97	Very high	96.9	Very high	71 Å²	71	45.4 Å²	45.4	38%	0.38	23%	0.234	S	C	.	.	S	Bend	trans	-159.8	171.4	-177.2	58.7	57.9	0	0	0	110.6	V74 Q75 D76	N72-V74 VanDerWaalsContact C-N 3.27Å; N72-V74 PolarHBondContact O-N 3.39Å; N72-V74 WeakPolarHBondContact OD1-CB 3.4Å; N72-V74 PolarHBondContact OD1-N 3.19Å; N72-V74 VanDerWaalsContact OD1-N 3.12Å; N72-Q75 PolarHBondContact O-N 3.11Å; N72-Q75 PolarHBondContact OD1-N 3.44Å; N72-D76 WeakPolarHBondContact O-CB 3.35Å; N72-D76 PolarHBondContact O-N 2.64Å
73	V	96.3	Very high	96.9	Very high	66 Å²	66	46.7 Å²	46.7	40%	0.4	24%	0.241	S	C	.	.	H	α-helix	trans	-57.2	-35	-178.3	172.1	0	0	0	0	113.2	M68 D76 T77	M68-V73 HydrophobicContact CE-CG2 4.31Å; V73-D76 WeakPolarHBondContact O-CB 3.47Å; V73-D76 PolarHBondContact O-N 3.24Å; V73-T77 PolarHBondContact O-N 3.04Å; V73-T77 PolarHBondContact O-OG1 3.39Å
74	V	95.1	Very high	96.9	Very high	91 Å²	91	45.7 Å²	45.7	55%	0.552	24%	0.239	S	C	*	.	H	α-helix	trans	-67.8	-49.1	179.6	178.5	0	0	0	0	110.4	N72 D76 T77 E78	N72-V74 VanDerWaalsContact C-N 3.27Å; N72-V74 PolarHBondContact O-N 3.39Å; N72-V74 WeakPolarHBondContact OD1-CB 3.4Å; N72-V74 PolarHBondContact OD1-N 3.19Å; N72-V74 VanDerWaalsContact OD1-N 3.12Å; V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 3.17Å; V74-T77 PolarHBondContact O-N 2.86Å; V74-E78 WeakPolarHBondContact O-CG 3.37Å; V74-E78 PolarHBondContact O-N 3.47Å
75	Q	97.4	Very high	96.9	Very high	71 Å²	71	45.6 Å²	45.6	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-37.3	175.7	-70.7	-176.5	-0.5	0	0	111.8	N72 E78 N79	N72-Q75 PolarHBondContact O-N 3.11Å; N72-Q75 PolarHBondContact OD1-N 3.44Å; Q75-E78 PolarHBondContact O-N 3.45Å; Q75-N79 WeakPolarHBondContact O-CB 3.34Å; Q75-N79 PolarHBondContact O-N 3.09Å; Q75-N79 PolarHBondContact O-ND2 3.19Å; Q75-N79 VanDerWaalsContact O-ND2 3.09Å
76	D	97.9	Very high	96.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-49	176.5	-164.7	30.4	0	0	0	111.6	H36 S41 C42 M68 I69 N72 V73 V74 N79 G80	H36-D76 IonicContact CD2-OD2 2.77Å; H36-D76 IonicContact NE2-OD1 3.65Å; H36-D76 PolarHBondContact NE2-OD1 3.37Å; H36-D76 VanDerWaalsContact NE2-OD1 3.13Å; H36-D76 IonicContact NE2-OD2 3.32Å; S41-D76 WeakPolarHBondContact CA-OD2 3.19Å; S41-D76 WeakPolarHBondContact CB-OD2 3.46Å; C42-D76 PolarHBondContact N-OD2 2.99Å; M68-D76 WeakPolarHBondContact CA-OD1 3.37Å; M68-D76 HydrophobicContact CG-CB 3.92Å; I69-D76 PolarHBondContact N-OD1 3.43Å; I69-D76 WeakPolarHBondContact O-CA 3.34Å; N72-D76 WeakPolarHBondContact O-CB 3.35Å; N72-D76 PolarHBondContact O-N 2.64Å; V73-D76 WeakPolarHBondContact O-CB 3.47Å; V73-D76 PolarHBondContact O-N 3.24Å; V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 3.17Å; D76-N79 PolarHBondContact O-N 3.13Å; D76-G80 PolarHBondContact O-N 2.89Å
77	T	94.9	Very high	96.9	Very high	41 Å²	41	48.8 Å²	48.8	25%	0.252	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-45.2	176.8	-62	0	0	0	0	112.9	D40 V73 V74 G80 F81	D40-T77 VanDerWaalsContact O-CA 3.29Å; D40-T77 WeakPolarHBondContact O-CA 3.36Å; D40-T77 PolarHBondContact O-OG1 2.96Å; V73-T77 PolarHBondContact O-N 3.04Å; V73-T77 PolarHBondContact O-OG1 3.39Å; V74-T77 PolarHBondContact O-N 2.86Å; T77-G80 PolarHBondContact O-N 3.2Å; T77-F81 WeakPolarHBondContact O-CD2 2.96Å
78	E	94.8	Very high	96.9	Very high	106 Å²	106	48.9 Å²	48.9	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-40.3	177.9	-71.6	177.1	163.5	0	0	112.1	V74 Q75 G80 F81 F82	V74-E78 WeakPolarHBondContact O-CG 3.37Å; V74-E78 PolarHBondContact O-N 3.47Å; Q75-E78 PolarHBondContact O-N 3.45Å; E78-G80 PolarHBondContact O-N 3.07Å; E78-F81 PolarHBondContact O-N 3.06Å; E78-F82 WeakPolarHBondContact O-CD2 3.44Å; E78-F82 PolarHBondContact O-N 2.84Å
79	N	97.6	Very high	97	Very high	33 Å²	33	46.2 Å²	46.2	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-22.9	178.2	-73.3	-24.2	0	0	0	112.1	I69 Q75 D76 F81 L83 Q88	I69-N79 HydrophobicContact CG2-CB 4.17Å; I69-N79 PolarHBondContact O-ND2 3.29Å; Q75-N79 WeakPolarHBondContact O-CB 3.34Å; Q75-N79 PolarHBondContact O-N 3.09Å; Q75-N79 PolarHBondContact O-ND2 3.19Å; Q75-N79 VanDerWaalsContact O-ND2 3.09Å; D76-N79 PolarHBondContact O-N 3.13Å; N79-F81 PolarHBondContact O-N 3.04Å; N79-F81 VanDerWaalsContact O-N 3.16Å; N79-L83 HydrophobicContact CB-CB 3.71Å; N79-L83 HydrophobicContact CB-CD2 4.02Å; N79-L83 PolarHBondContact O-N 3.1Å; N79-Q88 PolarHBondContact O-NE2 3.32Å
80	G	94.4	Very high	97	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-17.5	167.5	0	0	0	0	0	114.4	D76 T77 E78 Q113 Q179	D76-G80 PolarHBondContact O-N 2.89Å; T77-G80 PolarHBondContact O-N 3.2Å; E78-G80 PolarHBondContact O-N 3.07Å; G80-Q113 PolarHBondContact O-NE2 3.14Å; G80-Q179 PolarHBondContact O-NE2 3.48Å
81	F	93.6	Very high	97.1	Very high	22 Å²	22	52.3 Å²	52.3	10%	0.096	28%	0.275	C	S	.	.	H	α-helix	trans	-111.7	-39.5	175.7	-62.5	-81.7	0	0	0	113.5	M38 G39 T77 E78 N79 I156 I160 V178	M38-F81 HydrophobicContact CE-CE1 4.38Å; M38-F81 HydrophobicContact CG-CD1 3.72Å; M38-F81 HydrophobicContact CG-CE1 3.2Å; M38-F81 HydrophobicContact CG-CE2 4.46Å; M38-F81 HydrophobicContact CG-CZ 3.63Å; M38-F81 HydrophobicContact SD-CD1 3.95Å; M38-F81 HydrophobicContact SD-CE1 3.49Å; M38-F81 WeakPolarHBondContact SD-CE1 3.39Å; M38-F81 HydrophobicContact SD-CZ 4.4Å; G39-F81 VanDerWaalsContact CA-CE2 3.48Å; T77-F81 WeakPolarHBondContact O-CD2 2.96Å; E78-F81 PolarHBondContact O-N 3.06Å; N79-F81 PolarHBondContact O-N 3.04Å; N79-F81 VanDerWaalsContact O-N 3.16Å; F81-I156 HydrophobicContact CD1-CG2 4.01Å; F81-I156 HydrophobicContact CE1-CG2 4.04Å; F81-I156 HydrophobicContact CG-CG2 4.35Å; F81-I156 HydrophobicContact CZ-CG2 4.43Å; F81-I160 HydrophobicContact CD1-CD1 3.76Å; F81-I160 HydrophobicContact CE1-CD1 4.02Å; F81-V178 WeakPolarHBondContact O-CB 3.47Å; F81-V178 WeakPolarHBondContact O-CG2 3.32Å; F81-V178 PolarHBondContact O-N 3.49Å
82	F	95.9	Very high	97.2	Very high	76 Å²	76	43.4 Å²	43.4	33%	0.333	24%	0.236	S	C	.	.	H	α-helix	trans	-117.7	-8	-160.1	-54.8	-60.5	0	0	0	115.9	E78 I156 H176 L177	E78-F82 WeakPolarHBondContact O-CD2 3.44Å; E78-F82 PolarHBondContact O-N 2.84Å; F82-I156 HydrophobicContact CZ-CG2 4.11Å; F82-H176 WeakPolarHBondContact CA-O 3.4Å; F82-L177 HydrophobicContact CD1-CD1 4.21Å; F82-L177 HydrophobicContact CE1-CD1 4.17Å
83	L	97.7	Very high	97.3	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.209	23%	0.225	C	C	.	.	S	Bend	trans	-94.6	129.6	178.9	-177.8	59.7	0	0	0	110.9	I69 N79 V85 T87 Q88 M91 V178	I69-L83 HydrophobicContact CG2-CD2 3.68Å; N79-L83 HydrophobicContact CB-CB 3.71Å; N79-L83 HydrophobicContact CB-CD2 4.02Å; N79-L83 PolarHBondContact O-N 3.1Å; L83-V85 PolarHBondContact O-N 2.74Å; L83-T87 HydrophobicContact CD1-CG2 4.21Å; L83-Q88 HydrophobicContact CB-CG 4.2Å; L83-Q88 HydrophobicContact CD2-CG 3.8Å; L83-Q88 HydrophobicContact CG-CG 3.83Å; L83-Q88 PolarHBondContact O-NE2 2.78Å; L83-M91 HydrophobicContact CD2-SD 4.07Å; L83-V178 WeakPolarHBondContact O-CG2 3.12Å
84	D	98.4	Very high	97.4	Very high	27 Å²	27	40.8 Å²	40.8	14%	0.144	23%	0.226	C	C	.	.			trans	-48.1	125.3	176.3	167.7	-103.4	0	0	0	112.7	N86 T87 Q88 Q181	D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 2.79Å; D84-N86 WeakPolarHBondContact OD1-CB 3.33Å; D84-N86 PolarHBondContact OD1-N 2.83Å; D84-T87 WeakPolarHBondContact O-CA 3.32Å; D84-T87 VanDerWaalsContact O-CB 3.26Å; D84-T87 WeakPolarHBondContact O-CB 3.45Å; D84-T87 PolarHBondContact O-N 3.4Å; D84-T87 WeakPolarHBondContact OD1-CB 3.4Å; D84-T87 PolarHBondContact OD1-N 2.75Å; D84-T87 PolarHBondContact OD1-OG1 2.84Å; D84-Q88 WeakPolarHBondContact O-CG 3.28Å; D84-Q88 PolarHBondContact O-N 2.81Å; D84-Q181 PolarHBondContact OD2-NE2 3.12Å
85	V	98.7	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-33.7	-171.3	-176.6	0	0	0	0	111.3	L83 T87 Q88 V89 F117 V178 Q181 F198	L83-V85 PolarHBondContact O-N 2.74Å; V85-T87 VanDerWaalsContact C-N 3.27Å; V85-T87 PolarHBondContact O-N 2.79Å; V85-Q88 WeakPolarHBondContact O-CB 3.4Å; V85-Q88 PolarHBondContact O-N 2.99Å; V85-Q88 VanDerWaalsContact O-N 3.17Å; V85-V89 HydrophobicContact CG1-CG2 4.3Å; V85-V89 WeakPolarHBondContact O-CG2 3.5Å; V85-V89 PolarHBondContact O-N 3.45Å; V85-F117 HydrophobicContact CB-CE1 4.39Å; V85-F117 HydrophobicContact CG1-CD1 3.52Å; V85-F117 HydrophobicContact CG1-CE1 3.48Å; V85-F117 VanDerWaalsContact CG1-CE1 3.48Å; V85-F117 HydrophobicContact CG1-CE2 4.43Å; V85-F117 HydrophobicContact CG1-CG 4.1Å; V85-F117 HydrophobicContact CG1-CZ 3.96Å; V85-F117 HydrophobicContact CG2-CE1 3.93Å; V85-F117 HydrophobicContact CG2-CZ 3.87Å; V85-V178 HydrophobicContact CG2-CB 4.26Å; V85-V178 HydrophobicContact CG2-CG1 3.83Å; V85-V178 HydrophobicContact CG2-CG2 4.07Å; V85-Q181 HydrophobicContact CG2-CB 4.31Å; V85-Q181 VanDerWaalsContact CG2-OE1 3.31Å; V85-F198 HydrophobicContact CB-CD2 4.04Å; V85-F198 HydrophobicContact CB-CE2 4.35Å; V85-F198 HydrophobicContact CB-CG 4.12Å; V85-F198 HydrophobicContact CG1-CD1 4.18Å; V85-F198 HydrophobicContact CG1-CD2 3.67Å; V85-F198 HydrophobicContact CG1-CE1 4.01Å; V85-F198 HydrophobicContact CG1-CE2 3.47Å; V85-F198 VanDerWaalsContact CG1-CE2 3.47Å; V85-F198 HydrophobicContact CG1-CG 4.02Å; V85-F198 HydrophobicContact CG1-CZ 3.65Å
86	N	98.8	Very high	97.6	Very high	42 Å²	42	36.3 Å²	36.3	23%	0.225	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-39.4	175.3	-61.3	-57.7	0	0	0	111.5	D84 S90 R124 L197	D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 2.79Å; D84-N86 WeakPolarHBondContact OD1-CB 3.33Å; D84-N86 PolarHBondContact OD1-N 2.83Å; N86-S90 PolarHBondContact O-N 3.12Å; N86-R124 PolarHBondContact OD1-NH1 3.06Å; N86-R124 PolarHBondContact OD1-NH2 3.14Å; N86-L197 PolarHBondContact ND2-O 3.43Å
87	T	98.7	Very high	97.7	Very high	63 Å²	63	38.8 Å²	38.8	39%	0.387	22%	0.219	S	C	.	.	H	α-helix	trans	-63.9	-45.4	172.3	-56.9	0	0	0	0	111.2	L83 D84 V85 V89 S90 M91	L83-T87 HydrophobicContact CD1-CG2 4.21Å; D84-T87 WeakPolarHBondContact O-CA 3.32Å; D84-T87 VanDerWaalsContact O-CB 3.26Å; D84-T87 WeakPolarHBondContact O-CB 3.45Å; D84-T87 PolarHBondContact O-N 3.4Å; D84-T87 WeakPolarHBondContact OD1-CB 3.4Å; D84-T87 PolarHBondContact OD1-N 2.75Å; D84-T87 PolarHBondContact OD1-OG1 2.84Å; V85-T87 VanDerWaalsContact C-N 3.27Å; V85-T87 PolarHBondContact O-N 2.79Å; T87-V89 PolarHBondContact O-N 2.81Å; T87-S90 PolarHBondContact O-N 3.31Å; T87-M91 HydrophobicContact CG2-SD 4.29Å; T87-M91 WeakPolarHBondContact O-CG 3.38Å; T87-M91 PolarHBondContact O-N 3.02Å
88	Q	98.8	Very high	97.8	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-47.8	175.9	-57.1	-167.4	40.2	0	0	111.9	W35 I69 N79 L83 D84 V85 S90 M91 V92	W35-Q88 HydrophobicContact CH2-CB 4.29Å; W35-Q88 HydrophobicContact CZ2-CB 4Å; I69-Q88 HydrophobicContact CG2-CB 4.34Å; I69-Q88 HydrophobicContact CG2-CG 3.97Å; N79-Q88 PolarHBondContact O-NE2 3.32Å; L83-Q88 HydrophobicContact CB-CG 4.2Å; L83-Q88 HydrophobicContact CD2-CG 3.8Å; L83-Q88 HydrophobicContact CG-CG 3.83Å; L83-Q88 PolarHBondContact O-NE2 2.78Å; D84-Q88 WeakPolarHBondContact O-CG 3.28Å; D84-Q88 PolarHBondContact O-N 2.81Å; V85-Q88 WeakPolarHBondContact O-CB 3.4Å; V85-Q88 PolarHBondContact O-N 2.99Å; V85-Q88 VanDerWaalsContact O-N 3.17Å; Q88-S90 VanDerWaalsContact C-N 3.31Å; Q88-S90 PolarHBondContact O-N 3.04Å; Q88-M91 WeakPolarHBondContact O-CB 3.28Å; Q88-M91 PolarHBondContact O-N 2.85Å; Q88-M91 VanDerWaalsContact O-N 3.15Å; Q88-V92 WeakPolarHBondContact O-CG2 3.38Å; Q88-V92 PolarHBondContact O-N 2.99Å
89	V	98.9	Very high	98	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-42.1	177.5	171.8	0	0	0	0	110.8	W35 V85 T87 M91 V92 C93 A120 V121 F198	W35-V89 HydrophobicContact CH2-CG2 4.12Å; V85-V89 HydrophobicContact CG1-CG2 4.3Å; V85-V89 WeakPolarHBondContact O-CG2 3.5Å; V85-V89 PolarHBondContact O-N 3.45Å; T87-V89 PolarHBondContact O-N 2.81Å; V89-M91 PolarHBondContact O-N 2.79Å; V89-V92 PolarHBondContact O-N 2.77Å; V89-C93 WeakPolarHBondContact O-CB 3.49Å; V89-C93 PolarHBondContact O-N 3.11Å; V89-C93 PolarHBondContact O-SG 2.82Å; V89-A120 HydrophobicContact CG1-CB 4.46Å; V89-A120 HydrophobicContact CG2-CB 3.94Å; V89-V121 HydrophobicContact CG1-CG2 4.05Å; V89-F198 HydrophobicContact CG2-CE2 4.33Å
90	S	98.8	Very high	98	Very high	79 Å²	79	42.4 Å²	42.4	55%	0.552	25%	0.248	S	C	*	.	H	α-helix	trans	-63.1	-40.2	175.9	-172.9	0	0	0	0	112.7	N86 T87 Q88 S94	N86-S90 PolarHBondContact O-N 3.12Å; T87-S90 PolarHBondContact O-N 3.31Å; Q88-S90 VanDerWaalsContact C-N 3.31Å; Q88-S90 PolarHBondContact O-N 3.04Å; S90-S94 PolarHBondContact O-N 2.82Å; S90-S94 VanDerWaalsContact O-N 3.1Å
91	M	98.7	Very high	98.2	Very high	78 Å²	78	49.1 Å²	49.1	38%	0.384	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175.5	-70	171.5	61.6	0	0	110.8	I69 L83 T87 Q88 V89 S94 Q95	I69-M91 HydrophobicContact CG2-CE 4.02Å; I69-M91 HydrophobicContact CG2-SD 4.26Å; L83-M91 HydrophobicContact CD2-SD 4.07Å; T87-M91 HydrophobicContact CG2-SD 4.29Å; T87-M91 WeakPolarHBondContact O-CG 3.38Å; T87-M91 PolarHBondContact O-N 3.02Å; Q88-M91 WeakPolarHBondContact O-CB 3.28Å; Q88-M91 PolarHBondContact O-N 2.85Å; Q88-M91 VanDerWaalsContact O-N 3.15Å; V89-M91 PolarHBondContact O-N 2.79Å; M91-S94 WeakPolarHBondContact O-CB 3.39Å; M91-S94 PolarHBondContact O-N 2.91Å; M91-Q95 PolarHBondContact O-N 3.44Å
92	V	98.9	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-47.6	178	171.7	0	0	0	0	111.1	W35 L67 I69 Q88 V89 S94 Q95 L96 V121	W35-V92 HydrophobicContact CE3-CG1 4.31Å; W35-V92 HydrophobicContact CE3-CG2 4.17Å; W35-V92 HydrophobicContact CH2-CB 4.07Å; W35-V92 HydrophobicContact CH2-CG2 3.5Å; W35-V92 HydrophobicContact CZ2-CG2 3.92Å; W35-V92 HydrophobicContact CZ3-CB 3.92Å; W35-V92 HydrophobicContact CZ3-CG1 3.91Å; W35-V92 HydrophobicContact CZ3-CG2 3.64Å; L67-V92 HydrophobicContact CD1-CG1 3.68Å; L67-V92 HydrophobicContact CD1-CG2 3.95Å; L67-V92 HydrophobicContact CD2-CG1 4.08Å; L67-V92 HydrophobicContact CD2-CG2 4.39Å; I69-V92 HydrophobicContact CD1-CG2 3.41Å; I69-V92 VanDerWaalsContact CD1-CG2 3.41Å; Q88-V92 WeakPolarHBondContact O-CG2 3.38Å; Q88-V92 PolarHBondContact O-N 2.99Å; V89-V92 PolarHBondContact O-N 2.77Å; V92-S94 PolarHBondContact O-N 2.89Å; V92-Q95 WeakPolarHBondContact O-CB 3.44Å; V92-Q95 PolarHBondContact O-N 2.83Å; V92-L96 HydrophobicContact CG1-CD1 3.74Å; V92-L96 HydrophobicContact CG1-CG 3.99Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.33Å; V92-L96 PolarHBondContact O-N 2.83Å; V92-V121 HydrophobicContact CB-CG2 4.38Å; V92-V121 HydrophobicContact CG1-CG2 3.88Å
93	C	98.9	Very high	98.4	Very high	22 Å²	22	48.7 Å²	48.7	15%	0.149	27%	0.272	C	S	.	.	H	α-helix	trans	-53.7	-41.7	175	-67.1	0	0	0	0	111.8	V89 A97 C125	V89-C93 WeakPolarHBondContact O-CB 3.49Å; V89-C93 PolarHBondContact O-N 3.11Å; V89-C93 PolarHBondContact O-SG 2.82Å; C93-A97 VanDerWaalsContact O-CB 3.31Å; C93-A97 WeakPolarHBondContact O-CB 3.42Å; C93-A97 PolarHBondContact O-N 3.05Å; C93-C125 HydrophobicContact CB-CB 3.64Å; C93-C125 WeakPolarHBondContact CB-SG 3.26Å; C93-C125 WeakPolarHBondContact SG-CB 3.4Å; C93-C125 CovalentContact SG-SG 2.03Å; C93-C125 PolarHBondContact SG-SG 2.83Å
94	S	98.6	Very high	98.3	Very high	59 Å²	59	49 Å²	49	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-43.4	176.6	-166.2	0	0	0	0	112.6	S90 M91 V92 A97 Q98	S90-S94 PolarHBondContact O-N 2.82Å; S90-S94 VanDerWaalsContact O-N 3.1Å; M91-S94 WeakPolarHBondContact O-CB 3.39Å; M91-S94 PolarHBondContact O-N 2.91Å; V92-S94 PolarHBondContact O-N 2.89Å; S94-A97 PolarHBondContact O-N 2.83Å; S94-Q98 VanDerWaalsContact O-CG 3.29Å; S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 2.8Å; S94-Q98 PolarHBondContact O-NE2 2.78Å; S94-Q98 PolarHBondContact OG-NE2 3.14Å
95	Q	98.5	Very high	98.3	Very high	67 Å²	67	47.9 Å²	47.9	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-45.3	177.2	-173.7	175.1	32.1	0	0	111.6	M91 V92 Q98 D99	M91-Q95 PolarHBondContact O-N 3.44Å; V92-Q95 WeakPolarHBondContact O-CB 3.44Å; V92-Q95 PolarHBondContact O-N 2.83Å; Q95-Q98 PolarHBondContact O-N 2.87Å; Q95-D99 PolarHBondContact O-N 2.66Å
96	L	98.8	Very high	98.3	Very high	2 Å²	2	48 Å²	48	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-40.2	179.3	-61.9	178	0	0	0	111.9	V33 L65 L67 V92 Q98 D99 L102 Y106 V121 P128	V33-L96 HydrophobicContact CG1-CD2 4.04Å; V33-L96 HydrophobicContact CG2-CD2 3.77Å; L65-L96 HydrophobicContact CD2-CD2 4.01Å; L67-L96 HydrophobicContact CD2-CD2 4.31Å; V92-L96 HydrophobicContact CG1-CD1 3.74Å; V92-L96 HydrophobicContact CG1-CG 3.99Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.33Å; V92-L96 PolarHBondContact O-N 2.83Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 PolarHBondContact O-N 2.84Å; L96-D99 PolarHBondContact O-N 2.79Å; L96-L102 HydrophobicContact CB-CD1 4.35Å; L96-L102 HydrophobicContact CD2-CD1 3.46Å; L96-L102 VanDerWaalsContact CD2-CD1 3.46Å; L96-Y106 HydrophobicContact CD1-CE1 4.49Å; L96-Y106 HydrophobicContact CD1-CE2 4.29Å; L96-Y106 WeakPolarHBondContact CD1-OH 3.26Å; L96-V121 HydrophobicContact CD1-CG1 3.8Å; L96-P128 HydrophobicContact CB-CG 4.17Å
97	A	98.4	Very high	98.3	Very high	51 Å²	51	46.3 Å²	46.3	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-30.2	177.4	0	0	0	0	0	113.2	C93 S94 Q103	C93-A97 VanDerWaalsContact O-CB 3.31Å; C93-A97 WeakPolarHBondContact O-CB 3.42Å; C93-A97 PolarHBondContact O-N 3.05Å; S94-A97 PolarHBondContact O-N 2.83Å; A97-Q103 PolarHBondContact O-NE2 3.03Å; A97-Q103 VanDerWaalsContact O-NE2 3.09Å
98	Q	98.3	Very high	98.3	Very high	149 Å²	149	43.3 Å²	43.3	70%	0.696	25%	0.252	S	S	*	.	H	α-helix	trans	-84.9	-16.7	-179.4	-69.7	172.4	46.7	0	0	113.7	S94 Q95 L96 A100	S94-Q98 VanDerWaalsContact O-CG 3.29Å; S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 2.8Å; S94-Q98 PolarHBondContact O-NE2 2.78Å; S94-Q98 PolarHBondContact OG-NE2 3.14Å; Q95-Q98 PolarHBondContact O-N 2.87Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 PolarHBondContact O-N 2.84Å; Q98-A100 PolarHBondContact O-N 2.83Å
99	D	98.3	Very high	98.3	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.112	25%	0.252	C	S	.	.			trans	-84.7	108.3	178.9	-162.9	-36.8	0	0	0	111.1	Y63 Q95 L96 R101 L102 Q103	Y63-D99 PolarHBondContact OH-OD2 3.46Å; Q95-D99 PolarHBondContact O-N 2.66Å; L96-D99 PolarHBondContact O-N 2.79Å; D99-R101 PolarHBondContact O-N 2.8Å; D99-R101 VanDerWaalsContact O-N 3.15Å; D99-R101 VanDerWaalsContact OD1-CB 3.28Å; D99-R101 WeakPolarHBondContact OD1-CB 3.4Å; D99-R101 IonicContact OD1-CZ 3.53Å; D99-R101 PolarHBondContact OD1-N 2.94Å; D99-R101 IonicContact OD1-NE 2.71Å; D99-R101 PolarHBondContact OD1-NE 2.8Å; D99-R101 IonicContact OD1-NH2 3.73Å; D99-R101 IonicContact OD2-CZ 3.74Å; D99-R101 IonicContact OD2-NE 2.61Å; D99-R101 PolarHBondContact OD2-NE 2.52Å; D99-R101 IonicContact OD2-NH2 3.85Å; D99-R101 PolarHBondContact OD2-NH2 3.04Å; D99-L102 HydrophobicContact CB-CD1 3.9Å; D99-L102 HydrophobicContact CB-CG 3.91Å; D99-L102 PolarHBondContact O-N 3.33Å; D99-L102 VanDerWaalsContact O-N 3.11Å; D99-Q103 PolarHBondContact O-NE2 3.2Å
100	A	98	Very high	98.3	Very high	86 Å²	86	43.1 Å²	43.1	71%	0.711	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25.7	179.9	0	0	0	0	0	113.4	Q98 L102 Q103	Q98-A100 PolarHBondContact O-N 2.83Å; A100-L102 VanDerWaalsContact C-N 3.25Å; A100-L102 PolarHBondContact O-N 2.91Å; A100-Q103 WeakPolarHBondContact O-CG 3.43Å
101	R	97.9	Very high	98.3	Very high	143 Å²	143	39.5 Å²	39.5	54%	0.54	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-72.8	-20.2	-179.5	-62.9	167.2	-71.1	-161.5	-3.1	112.6	P31 Y63 D99	P31-R101 WeakPolarHBondContact CG-O 3.29Å; Y63-R101 HydrophobicContact CD1-CB 3.77Å; Y63-R101 HydrophobicContact CD1-CG 4.45Å; Y63-R101 HydrophobicContact CE1-CB 4.08Å; Y63-R101 PolarHBondContact OH-NH2 2.66Å; D99-R101 PolarHBondContact O-N 2.8Å; D99-R101 VanDerWaalsContact O-N 3.15Å; D99-R101 VanDerWaalsContact OD1-CB 3.28Å; D99-R101 WeakPolarHBondContact OD1-CB 3.4Å; D99-R101 IonicContact OD1-CZ 3.53Å; D99-R101 PolarHBondContact OD1-N 2.94Å; D99-R101 IonicContact OD1-NE 2.71Å; D99-R101 PolarHBondContact OD1-NE 2.8Å; D99-R101 IonicContact OD1-NH2 3.73Å; D99-R101 IonicContact OD2-CZ 3.74Å; D99-R101 IonicContact OD2-NE 2.61Å; D99-R101 PolarHBondContact OD2-NE 2.52Å; D99-R101 IonicContact OD2-NH2 3.85Å; D99-R101 PolarHBondContact OD2-NH2 3.04Å
102	L	98.3	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-93.1	-8.5	-177.1	-53.9	-176.5	0	0	0	113	P31 V33 Y63 L65 L96 D99 A100 G104 G105 Y106 P128	P31-L102 HydrophobicContact CB-CD2 3.48Å; P31-L102 VanDerWaalsContact CB-CD2 3.48Å; P31-L102 HydrophobicContact CG-CD2 4.01Å; V33-L102 HydrophobicContact CG2-CD1 4.09Å; V33-L102 HydrophobicContact CG2-CD2 4.35Å; Y63-L102 HydrophobicContact CD1-CD2 4.03Å; Y63-L102 HydrophobicContact CE1-CD2 3.91Å; Y63-L102 HydrophobicContact CE1-CG 4.5Å; L65-L102 HydrophobicContact CD2-CD1 4Å; L96-L102 HydrophobicContact CB-CD1 4.35Å; L96-L102 HydrophobicContact CD2-CD1 3.46Å; L96-L102 VanDerWaalsContact CD2-CD1 3.46Å; D99-L102 HydrophobicContact CB-CD1 3.9Å; D99-L102 HydrophobicContact CB-CG 3.91Å; D99-L102 PolarHBondContact O-N 3.33Å; D99-L102 VanDerWaalsContact O-N 3.11Å; A100-L102 VanDerWaalsContact C-N 3.25Å; A100-L102 PolarHBondContact O-N 2.91Å; L102-G104 VanDerWaalsContact C-N 3.25Å; L102-G104 PolarHBondContact O-N 3.01Å; L102-G105 WeakPolarHBondContact O-CA 3.21Å; L102-G105 PolarHBondContact O-N 3.1Å; L102-Y106 HydrophobicContact CB-CD1 4.34Å; L102-P128 HydrophobicContact CB-CB 4.41Å; L102-P128 HydrophobicContact CB-CG 4Å; L102-P128 WeakPolarHBondContact O-CB 3.31Å
103	Q	96.8	Very high	98.3	Very high	90 Å²	90	36.5 Å²	36.5	42%	0.421	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.9	-171.8	-56.5	-57	-50.2	0	0	113.5	A97 D99 A100 G105	A97-Q103 PolarHBondContact O-NE2 3.03Å; A97-Q103 VanDerWaalsContact O-NE2 3.09Å; D99-Q103 PolarHBondContact O-NE2 3.2Å; A100-Q103 WeakPolarHBondContact O-CG 3.43Å; Q103-G105 PolarHBondContact O-N 3.29Å
104	G	95.8	Very high	98.3	Very high	47 Å²	47	35.5 Å²	35.5	49%	0.485	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.5	171.5	0	0	0	0	0	114.4	L102 R131	L102-G104 VanDerWaalsContact C-N 3.25Å; L102-G104 PolarHBondContact O-N 3.01Å; G104-R131 PolarHBondContact O-NH2 3.05Å
105	G	97.6	Very high	98.3	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.021	19%	0.185	C	C	.	.			trans	98.2	159.3	-174.7	0	0	0	0	0	113.4	L102 Q103 P129	L102-G105 WeakPolarHBondContact O-CA 3.21Å; L102-G105 PolarHBondContact O-N 3.1Å; Q103-G105 PolarHBondContact O-N 3.29Å; G105-P129 CarbonylContact C-O 3.6Å; G105-P129 WeakPolarHBondContact CA-O 3.22Å
106	Y	98.8	Very high	98.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.3	-172.9	63.6	-82.9	0	0	0	111.7	V33 L96 L102 A108 P128 P129 M130 R131	V33-Y106 HydrophobicContact CB-CD2 3.95Å; V33-Y106 HydrophobicContact CB-CE2 4.26Å; V33-Y106 HydrophobicContact CG2-CD2 3.43Å; V33-Y106 VanDerWaalsContact CG2-CD2 3.43Å; V33-Y106 HydrophobicContact CG2-CE2 3.96Å; V33-Y106 HydrophobicContact CG2-CG 4.02Å; L96-Y106 HydrophobicContact CD1-CE1 4.49Å; L96-Y106 HydrophobicContact CD1-CE2 4.29Å; L96-Y106 WeakPolarHBondContact CD1-OH 3.26Å; L102-Y106 HydrophobicContact CB-CD1 4.34Å; Y106-A108 HydrophobicContact CD2-CB 4.33Å; Y106-A108 HydrophobicContact CE2-CB 4.1Å; Y106-P128 HydrophobicContact CD1-CB 4.18Å; Y106-P128 HydrophobicContact CD1-CG 4.09Å; Y106-P128 HydrophobicContact CE1-CB 4.11Å; Y106-P128 HydrophobicContact CE1-CG 3.81Å; Y106-P128 WeakPolarHBondContact CE1-O 3.37Å; Y106-P129 PolarHBondContact N-O 3.26Å; Y106-P129 VanDerWaalsContact N-O 3.08Å; Y106-M130 HydrophobicContact CD2-CG 4.48Å; Y106-M130 HydrophobicContact CE1-CB 4.35Å; Y106-M130 HydrophobicContact CE2-CB 4.07Å; Y106-M130 HydrophobicContact CE2-CE 3.84Å; Y106-M130 HydrophobicContact CE2-CG 3.94Å; Y106-M130 CarbonylContact O-C 3.54Å; Y106-M130 WeakPolarHBondContact O-CA 3.37Å; Y106-R131 PolarHBondContact O-N 3.36Å
107	N	98.9	Very high	98.3	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	152.6	164.3	-67.7	-35.2	0	0	0	109.3	P31 L32 V33 T132 L302	P31-N107 PolarHBondContact O-N 2.96Å; L32-N107 CarbonylContact C-O 3.57Å; L32-N107 WeakPolarHBondContact CA-O 3.5Å; L32-N107 HydrophobicContact CD1-CB 4.15Å; V33-N107 PolarHBondContact N-O 3.35Å; N107-T132 WeakPolarHBondContact OD1-CB 3.33Å; N107-T132 PolarHBondContact OD1-N 3.49Å; N107-L302 HydrophobicContact CB-CD2 3.71Å
108	A	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.9	179.7	0	0	0	0	0	110.8	V33 Y106 L118 M130 T132 L133 I134	V33-A108 CarbonylContact O-C 3.57Å; V33-A108 VanDerWaalsContact O-CA 3.31Å; V33-A108 WeakPolarHBondContact O-CA 3.31Å; Y106-A108 HydrophobicContact CD2-CB 4.33Å; Y106-A108 HydrophobicContact CE2-CB 4.1Å; A108-L118 HydrophobicContact CB-CD1 3.98Å; A108-L118 HydrophobicContact CB-CD2 4.12Å; A108-L118 HydrophobicContact CB-CG 4.48Å; A108-M130 HydrophobicContact CB-CE 3.71Å; A108-M130 HydrophobicContact CB-CG 4.01Å; A108-M130 HydrophobicContact CB-SD 3.68Å; A108-T132 PolarHBondContact N-O 3.42Å; A108-L133 HydrophobicContact CB-CD1 4.17Å; A108-L133 CarbonylContact O-C 3.44Å; A108-L133 WeakPolarHBondContact O-CA 3.41Å; A108-I134 PolarHBondContact O-N 3.23Å
109	M	98.9	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	117.5	175.9	-178.1	179.2	-68.9	0	0	110.3	L32 V33 L34 W35 F111 L118 I134 V136 F294 L298 L302	L32-M109 HydrophobicContact CD1-CB 4.01Å; V33-M109 PolarHBondContact O-N 3.46Å; L34-M109 WeakPolarHBondContact CA-O 3.39Å; L34-M109 HydrophobicContact CD2-CB 3.82Å; L34-M109 HydrophobicContact CD2-CG 4.43Å; L34-M109 HydrophobicContact CD2-SD 4.45Å; W35-M109 PolarHBondContact N-O 2.84Å; M109-F111 HydrophobicContact CG-CE2 3.79Å; M109-F111 HydrophobicContact CG-CZ 3.95Å; M109-F111 HydrophobicContact SD-CE1 4.41Å; M109-F111 HydrophobicContact SD-CE2 3.85Å; M109-F111 HydrophobicContact SD-CZ 3.49Å; M109-F111 WeakPolarHBondContact SD-CZ 3.47Å; M109-L118 VanDerWaalsContact C-CD1 3.43Å; M109-L118 WeakPolarHBondContact O-CD1 3.43Å; M109-I134 CarbonylContact C-O 3.53Å; M109-I134 VanDerWaalsContact CA-O 3.26Å; M109-I134 WeakPolarHBondContact CA-O 3Å; M109-I134 HydrophobicContact CB-CB 4.31Å; M109-I134 HydrophobicContact CE-CB 4.12Å; M109-I134 HydrophobicContact CE-CD1 3.58Å; M109-I134 HydrophobicContact CE-CG1 4.41Å; M109-I134 HydrophobicContact CE-CG2 4.03Å; M109-I134 HydrophobicContact CG-CB 4.17Å; M109-I134 HydrophobicContact CG-CG2 4.33Å; M109-V136 HydrophobicContact CG-CG2 4.03Å; M109-V136 HydrophobicContact SD-CG2 4.35Å; M109-F294 HydrophobicContact CE-CE2 4.08Å; M109-F294 HydrophobicContact CE-CZ 3.67Å; M109-F294 HydrophobicContact SD-CE2 3.88Å; M109-F294 HydrophobicContact SD-CZ 3.86Å; M109-L298 HydrophobicContact CE-CB 4.46Å; M109-L298 HydrophobicContact CE-CD1 4.33Å; M109-L302 HydrophobicContact CE-CD1 3.84Å
110	G	98.9	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.7	180	0	0	0	0	0	111.1	W35 I134 V136	W35-G110 WeakPolarHBondContact O-CA 3.48Å; G110-I134 PolarHBondContact N-O 3.11Å; G110-V136 PolarHBondContact O-N 3.36Å
111	F	98.8	Very high	98.5	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.018	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130	177.3	-66.3	-92.6	0	0	0	110	L34 W35 H36 G37 M48 I51 M109 Q113 G114 V136 L287 F289	L34-F111 HydrophobicContact CD2-CE2 4.4Å; W35-F111 PolarHBondContact O-N 3.03Å; H36-F111 CarbonylContact C-O 3.53Å; G37-F111 WeakPolarHBondContact CA-O 3.49Å; G37-F111 PolarHBondContact N-O 3.39Å; M48-F111 HydrophobicContact CE-CB 4.31Å; M48-F111 HydrophobicContact CE-CD1 4.15Å; M48-F111 HydrophobicContact CE-CD2 3.64Å; M48-F111 HydrophobicContact CE-CE1 4.42Å; M48-F111 HydrophobicContact CE-CE2 3.92Å; M48-F111 HydrophobicContact CE-CG 3.76Å; M48-F111 HydrophobicContact CE-CZ 4.31Å; M48-F111 HydrophobicContact SD-CD2 3.56Å; M48-F111 VanDerWaalsContact SD-CD2 3.56Å; M48-F111 HydrophobicContact SD-CE2 3.86Å; M48-F111 HydrophobicContact SD-CG 4.24Å; I51-F111 HydrophobicContact CB-CZ 4.47Å; I51-F111 HydrophobicContact CD1-CE1 4.43Å; I51-F111 HydrophobicContact CD1-CZ 4.23Å; I51-F111 HydrophobicContact CG1-CE1 4.41Å; I51-F111 HydrophobicContact CG1-CZ 3.96Å; I51-F111 HydrophobicContact CG2-CE2 4.19Å; I51-F111 HydrophobicContact CG2-CZ 3.85Å; M109-F111 HydrophobicContact CG-CE2 3.79Å; M109-F111 HydrophobicContact CG-CZ 3.95Å; M109-F111 HydrophobicContact SD-CE1 4.41Å; M109-F111 HydrophobicContact SD-CE2 3.85Å; M109-F111 HydrophobicContact SD-CZ 3.49Å; M109-F111 WeakPolarHBondContact SD-CZ 3.47Å; F111-Q113 PolarHBondContact O-N 2.77Å; F111-G114 PolarHBondContact O-N 3.21Å; F111-V136 HydrophobicContact CD1-CB 3.89Å; F111-V136 HydrophobicContact CD1-CG1 4.02Å; F111-V136 HydrophobicContact CD1-CG2 4.31Å; F111-V136 HydrophobicContact CE1-CB 4.13Å; F111-V136 HydrophobicContact CE1-CG1 4.14Å; F111-V136 HydrophobicContact CE1-CG2 4.1Å; F111-L287 HydrophobicContact CB-CD1 4.3Å; F111-L287 HydrophobicContact CB-CD2 4.46Å; F111-L287 HydrophobicContact CD1-CD2 4.3Å; F111-F289 HydrophobicContact CE1-CE1 4.25Å; F111-F289 HydrophobicContact CE1-CZ 4.02Å
112	S	98.2	Very high	98.5	Very high	13 Å²	13	8.2 Å²	8.2	9%	0.091	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	-126.3	-176.5	-169.2	0	0	0	0	110.4	G114 G115 Q116 V136 G138 Q139 H286	S112-G114 PolarHBondContact O-N 3.27Å; S112-G115 PolarHBondContact O-N 2.66Å; S112-Q116 PolarHBondContact O-OE1 2.93Å; S112-V136 PolarHBondContact N-O 2.76Å; S112-G138 WeakPolarHBondContact O-CA 3.42Å; S112-Q139 PolarHBondContact OG-NE2 2.9Å; S112-Q139 VanDerWaalsContact OG-NE2 3.14Å; S112-H286 WeakPolarHBondContact CB-NE2 3.26Å; S112-H286 PolarHBondContact OG-NE2 3.22Å
113	Q	98.5	Very high	98.5	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.009	5%	0.054	C	C	.	.	H	α-helix	trans	-55.6	-25.5	-179.8	72.8	179.6	34.2	0	0	115	M38 G80 F111 G115 Q116 F117 Y182	M38-Q113 HydrophobicContact CB-CG 4.45Å; G80-Q113 PolarHBondContact O-NE2 3.14Å; F111-Q113 PolarHBondContact O-N 2.77Å; Q113-G115 PolarHBondContact O-N 3.13Å; Q113-Q116 VanDerWaalsContact O-CD 3.22Å; Q113-Q116 WeakPolarHBondContact O-CG 3.5Å; Q113-Q116 PolarHBondContact O-N 3.04Å; Q113-Q116 PolarHBondContact O-OE1 3.48Å; Q113-F117 HydrophobicContact CB-CE1 4.23Å; Q113-F117 HydrophobicContact CB-CE2 4.14Å; Q113-F117 HydrophobicContact CB-CZ 3.81Å; Q113-F117 HydrophobicContact CG-CD2 4.36Å; Q113-F117 HydrophobicContact CG-CE2 3.62Å; Q113-F117 HydrophobicContact CG-CZ 3.72Å; Q113-F117 WeakPolarHBondContact O-CD1 3.29Å; Q113-F117 WeakPolarHBondContact O-CG 3.27Å; Q113-F117 PolarHBondContact O-N 2.8Å; Q113-Y182 HydrophobicContact CB-CE1 4.15Å; Q113-Y182 PolarHBondContact OE1-OH 3.42Å
114	G	98.9	Very high	98.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.9	-23.4	174.4	0	0	0	0	0	113.4	F111 S112 F117 L118	F111-G114 PolarHBondContact O-N 3.21Å; S112-G114 PolarHBondContact O-N 3.27Å; G114-F117 PolarHBondContact O-N 3.07Å; G114-L118 WeakPolarHBondContact O-CB 3.3Å; G114-L118 PolarHBondContact O-N 3.24Å
115	G	98.9	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.4	-55.3	175.5	0	0	0	0	0	112.5	S112 Q113 F117 L118 R119	S112-G115 PolarHBondContact O-N 2.66Å; Q113-G115 PolarHBondContact O-N 3.13Å; G115-F117 VanDerWaalsContact C-N 3.27Å; G115-F117 PolarHBondContact O-N 3.33Å; G115-L118 PolarHBondContact O-N 3.18Å; G115-R119 PolarHBondContact O-N 3.19Å
116	Q	98.9	Very high	98.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-69.4	-24.7	176.2	63.9	-89.3	27.1	0	0	112.9	S112 Q113 R119 A120 F198	S112-Q116 PolarHBondContact O-OE1 2.93Å; Q113-Q116 VanDerWaalsContact O-CD 3.22Å; Q113-Q116 WeakPolarHBondContact O-CG 3.5Å; Q113-Q116 PolarHBondContact O-N 3.04Å; Q113-Q116 PolarHBondContact O-OE1 3.48Å; Q116-R119 PolarHBondContact O-N 3.22Å; Q116-A120 PolarHBondContact O-N 3.08Å; Q116-F198 HydrophobicContact CG-CE1 4.1Å
117	F	98.9	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-70.9	-44.4	175.5	-60.6	-7.2	0	0	0	111.9	W35 V85 Q113 G114 G115 R119 A120 V121 V178 Y182 F198	W35-F117 HydrophobicContact CD2-CB 3.95Å; W35-F117 HydrophobicContact CD2-CD2 4.39Å; W35-F117 AromaticContact CE2-CD2 3.73Å; W35-F117 HydrophobicContact CE3-CB 3.82Å; W35-F117 HydrophobicContact CH2-CB 3.74Å; W35-F117 HydrophobicContact CH2-CD2 4.39Å; W35-F117 HydrophobicContact CH2-CG 4.44Å; W35-F117 HydrophobicContact CZ2-CB 3.9Å; W35-F117 AromaticContact CZ2-CD2 3.74Å; W35-F117 HydrophobicContact CZ2-CD2 3.74Å; W35-F117 HydrophobicContact CZ2-CG 4.23Å; W35-F117 HydrophobicContact CZ3-CB 3.7Å; W35-F117 AromaticContact NE1-CD2 3.87Å; V85-F117 HydrophobicContact CB-CE1 4.39Å; V85-F117 HydrophobicContact CG1-CD1 3.52Å; V85-F117 HydrophobicContact CG1-CE1 3.48Å; V85-F117 VanDerWaalsContact CG1-CE1 3.48Å; V85-F117 HydrophobicContact CG1-CE2 4.43Å; V85-F117 HydrophobicContact CG1-CG 4.1Å; V85-F117 HydrophobicContact CG1-CZ 3.96Å; V85-F117 HydrophobicContact CG2-CE1 3.93Å; V85-F117 HydrophobicContact CG2-CZ 3.87Å; Q113-F117 HydrophobicContact CB-CE1 4.23Å; Q113-F117 HydrophobicContact CB-CE2 4.14Å; Q113-F117 HydrophobicContact CB-CZ 3.81Å; Q113-F117 HydrophobicContact CG-CD2 4.36Å; Q113-F117 HydrophobicContact CG-CE2 3.62Å; Q113-F117 HydrophobicContact CG-CZ 3.72Å; Q113-F117 WeakPolarHBondContact O-CD1 3.29Å; Q113-F117 WeakPolarHBondContact O-CG 3.27Å; Q113-F117 PolarHBondContact O-N 2.8Å; G114-F117 PolarHBondContact O-N 3.07Å; G115-F117 VanDerWaalsContact C-N 3.27Å; G115-F117 PolarHBondContact O-N 3.33Å; F117-R119 VanDerWaalsContact C-N 3.31Å; F117-R119 PolarHBondContact O-N 2.91Å; F117-A120 WeakPolarHBondContact O-CB 3.34Å; F117-A120 PolarHBondContact O-N 3.34Å; F117-A120 VanDerWaalsContact O-N 3.13Å; F117-V121 PolarHBondContact O-N 2.94Å; F117-V178 HydrophobicContact CE2-CG1 4.43Å; F117-V178 HydrophobicContact CZ-CG1 3.7Å; F117-Y182 HydrophobicContact CE1-CD1 4.19Å; F117-Y182 HydrophobicContact CE1-CE1 4.18Å; F117-Y182 HydrophobicContact CZ-CE1 4.12Å; F117-F198 AromaticContact CD1-CE1 3.91Å; F117-F198 HydrophobicContact CD1-CE1 3.91Å; F117-F198 AromaticContact CD1-CZ 3.74Å; F117-F198 HydrophobicContact CD1-CZ 3.74Å; F117-F198 HydrophobicContact CE1-CE1 4.01Å; F117-F198 HydrophobicContact CE1-CZ 4.26Å
118	L	98.9	Very high	98.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.8	-32.6	172.9	-76.9	169.6	0	0	0	112.4	V33 W35 L67 A108 M109 G114 G115 A120 V121 A122 M130 L133	V33-L118 HydrophobicContact CG1-CD2 4.35Å; W35-L118 HydrophobicContact CB-CD1 3.74Å; W35-L118 HydrophobicContact CB-CD2 4.39Å; W35-L118 HydrophobicContact CB-CG 3.84Å; W35-L118 HydrophobicContact CD2-CG 4.49Å; W35-L118 HydrophobicContact CE3-CD2 3.77Å; W35-L118 HydrophobicContact CE3-CG 3.8Å; L67-L118 HydrophobicContact CD1-CD2 4.36Å; A108-L118 HydrophobicContact CB-CD1 3.98Å; A108-L118 HydrophobicContact CB-CD2 4.12Å; A108-L118 HydrophobicContact CB-CG 4.48Å; M109-L118 VanDerWaalsContact C-CD1 3.43Å; M109-L118 WeakPolarHBondContact O-CD1 3.43Å; G114-L118 WeakPolarHBondContact O-CB 3.3Å; G114-L118 PolarHBondContact O-N 3.24Å; G115-L118 PolarHBondContact O-N 3.18Å; L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 2.86Å; L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 PolarHBondContact O-N 2.74Å; L118-A122 PolarHBondContact O-N 3.17Å; L118-M130 HydrophobicContact CB-CE 4.44Å; L118-M130 HydrophobicContact CD2-CE 4.28Å; L118-M130 WeakPolarHBondContact O-CE 3.35Å; L118-L133 HydrophobicContact CB-CD1 3.64Å; L118-L133 HydrophobicContact CD1-CD1 4.38Å
119	R	98.9	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-42.3	169.1	179.3	170.6	62.4	82.9	-10.3	111.5	G115 Q116 F117 V121 A122 Q123 L133 H140 I202 N203 L216	G115-R119 PolarHBondContact O-N 3.19Å; Q116-R119 PolarHBondContact O-N 3.22Å; F117-R119 VanDerWaalsContact C-N 3.31Å; F117-R119 PolarHBondContact O-N 2.91Å; R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 PolarHBondContact O-N 3.12Å; R119-A122 WeakPolarHBondContact O-CB 3.28Å; R119-A122 PolarHBondContact O-N 3.49Å; R119-Q123 VanDerWaalsContact CG-OE1 3.28Å; R119-Q123 WeakPolarHBondContact O-CG 3.28Å; R119-Q123 PolarHBondContact O-N 3.03Å; R119-L133 HydrophobicContact CB-CD2 3.89Å; R119-H140 PolarHBondContact NE-ND1 3.36Å; R119-H140 PolarHBondContact NH2-O 3Å; R119-I202 PolarHBondContact NH1-O 3.39Å; R119-N203 PolarHBondContact NH1-OD1 2.95Å; R119-N203 VanDerWaalsContact NH1-OD1 3.12Å; R119-N203 PolarHBondContact NH2-OD1 3.4Å; R119-L216 HydrophobicContact CG-CD1 4.06Å
120	A	98.9	Very high	98.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.1	-38.9	175	0	0	0	0	0	112.3	V89 Q116 F117 L118 Q123 R124 F198 I202	V89-A120 HydrophobicContact CG1-CB 4.46Å; V89-A120 HydrophobicContact CG2-CB 3.94Å; Q116-A120 PolarHBondContact O-N 3.08Å; F117-A120 WeakPolarHBondContact O-CB 3.34Å; F117-A120 PolarHBondContact O-N 3.34Å; F117-A120 VanDerWaalsContact O-N 3.13Å; L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 2.86Å; A120-Q123 PolarHBondContact O-N 3.33Å; A120-R124 VanDerWaalsContact O-CB 3.25Å; A120-R124 WeakPolarHBondContact O-CB 3.23Å; A120-R124 VanDerWaalsContact O-CG 3.32Å; A120-R124 WeakPolarHBondContact O-CG 3.42Å; A120-R124 PolarHBondContact O-N 3.1Å; A120-F198 HydrophobicContact CB-CE2 3.59Å; A120-F198 HydrophobicContact CB-CZ 3.82Å; A120-I202 HydrophobicContact CB-CD1 4.27Å; A120-I202 HydrophobicContact CB-CG2 3.92Å
121	V	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-50.2	171.4	168.7	0	0	0	0	110.5	W35 V89 V92 L96 F117 L118 R119 Q123 R124 C125 M130	W35-V121 HydrophobicContact CZ3-CG2 3.73Å; V89-V121 HydrophobicContact CG1-CG2 4.05Å; V92-V121 HydrophobicContact CB-CG2 4.38Å; V92-V121 HydrophobicContact CG1-CG2 3.88Å; L96-V121 HydrophobicContact CD1-CG1 3.8Å; F117-V121 PolarHBondContact O-N 2.94Å; L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 PolarHBondContact O-N 2.74Å; R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 PolarHBondContact O-N 3.12Å; V121-Q123 VanDerWaalsContact C-N 3.28Å; V121-Q123 PolarHBondContact O-N 2.96Å; V121-R124 PolarHBondContact O-N 3.22Å; V121-C125 PolarHBondContact O-N 3.24Å; V121-C125 PolarHBondContact O-SG 2.75Å; V121-M130 HydrophobicContact CB-CE 4.34Å; V121-M130 HydrophobicContact CG1-CE 4Å
122	A	98.9	Very high	98.6	Very high	6 Å²	6	19 Å²	19	5%	0.05	11%	0.107	C	C	.	.	H	α-helix	trans	-57.7	-40.2	178.3	0	0	0	0	0	112.2	L118 R119 M130 N215 L216	L118-A122 PolarHBondContact O-N 3.17Å; R119-A122 WeakPolarHBondContact O-CB 3.28Å; R119-A122 PolarHBondContact O-N 3.49Å; A122-M130 HydrophobicContact CB-CE 4.04Å; A122-M130 HydrophobicContact CB-SD 3.86Å; A122-N215 VanDerWaalsContact O-CB 3.24Å; A122-N215 WeakPolarHBondContact O-CB 3.49Å; A122-L216 HydrophobicContact CB-CD1 4.48Å
123	Q	98.9	Very high	98.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71.5	-39.8	177.8	-73.4	175.7	-122.5	0	0	113.1	R119 A120 V121 I202 Y212 N215 L216	R119-Q123 VanDerWaalsContact CG-OE1 3.28Å; R119-Q123 WeakPolarHBondContact O-CG 3.28Å; R119-Q123 PolarHBondContact O-N 3.03Å; A120-Q123 PolarHBondContact O-N 3.33Å; V121-Q123 VanDerWaalsContact C-N 3.28Å; V121-Q123 PolarHBondContact O-N 2.96Å; Q123-I202 PolarHBondContact NE2-O 2.96Å; Q123-I202 PolarHBondContact OE1-O 3.4Å; Q123-Y212 HydrophobicContact CB-CD1 4.01Å; Q123-Y212 HydrophobicContact CB-CD2 4.38Å; Q123-Y212 HydrophobicContact CB-CG 3.88Å; Q123-Y212 HydrophobicContact CG-CG 4.45Å; Q123-Y212 VanDerWaalsContact NE2-CD2 3.34Å; Q123-Y212 WeakPolarHBondContact O-CD1 3.49Å; Q123-N215 PolarHBondContact O-ND2 3.21Å; Q123-L216 HydrophobicContact CG-CB 4.16Å; Q123-L216 HydrophobicContact CG-CD1 4.32Å
124	R	98.8	Very high	98.6	Very high	60 Å²	60	18.3 Å²	18.3	23%	0.226	10%	0.102	C	C	.	.	H	α-helix	trans	-95.4	-35.5	-167.3	-69.7	172.2	174.8	-177.9	-0	114.8	N86 A120 V121 D201 Y212	N86-R124 PolarHBondContact OD1-NH1 3.06Å; N86-R124 PolarHBondContact OD1-NH2 3.14Å; A120-R124 VanDerWaalsContact O-CB 3.25Å; A120-R124 WeakPolarHBondContact O-CB 3.23Å; A120-R124 VanDerWaalsContact O-CG 3.32Å; A120-R124 WeakPolarHBondContact O-CG 3.42Å; A120-R124 PolarHBondContact O-N 3.1Å; V121-R124 PolarHBondContact O-N 3.22Å; R124-D201 IonicContact CZ-OD2 2.73Å; R124-D201 IonicContact NE-OD2 3.66Å; R124-D201 IonicContact NH2-OD2 3.61Å; R124-D201 PolarHBondContact NH2-OD2 3.49Å; R124-Y212 HydrophobicContact CB-CE1 4.47Å; R124-Y212 HydrophobicContact CG-CD1 4.44Å; R124-Y212 HydrophobicContact CG-CE1 3.55Å; R124-Y212 PolarHBondContact NE-OH 3.45Å; R124-Y212 VanDerWaalsContact NE-OH 3.1Å
125	C	97.9	Very high	98.6	Very high	21 Å²	21	18.4 Å²	18.4	14%	0.142	10%	0.102	C	C	.	.			trans	-132	85.2	-177.2	55.7	0	0	0	0	111.3	C93 V121 S127	C93-C125 HydrophobicContact CB-CB 3.64Å; C93-C125 WeakPolarHBondContact CB-SG 3.26Å; C93-C125 WeakPolarHBondContact SG-CB 3.4Å; C93-C125 CovalentContact SG-SG 2.03Å; C93-C125 PolarHBondContact SG-SG 2.83Å; V121-C125 PolarHBondContact O-N 3.24Å; V121-C125 PolarHBondContact O-SG 2.75Å; C125-S127 PolarHBondContact O-N 2.86Å; C125-S127 VanDerWaalsContact O-N 3.08Å
126	P	96.8	Very high	98.6	Very high	49 Å²	49	18.4 Å²	18.4	32%	0.318	10%	0.102	S	C	.	.			trans	-74.9	3.6	-174	32.6	-37.8	0	0	0	114.3	P128 P129 N215	P126-P128 CarbonylContact C-O 3.57Å; P126-P128 CarbonylContact O-C 3.29Å; P126-P129 WeakPolarHBondContact O-CA 3.13Å; P126-N215 HydrophobicContact CB-CB 4.24Å
127	S	97.6	Very high	98.6	Very high	85 Å²	85	18.4 Å²	18.4	59%	0.594	10%	0.102	S	C	*	.	S	Bend	trans	-131.2	121	-179.1	-173.4	0	0	0	0	109.8	C125	C125-S127 PolarHBondContact O-N 2.86Å; C125-S127 VanDerWaalsContact O-N 3.08Å
128	P	98.5	Very high	98.6	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.013	10%	0.102	C	C	.	.	S	Bend	cis	-63.2	157.7	-2	22.8	-30.5	0	0	0	113.5	L96 L102 Y106 P126 M130	L96-P128 HydrophobicContact CB-CG 4.17Å; L102-P128 HydrophobicContact CB-CB 4.41Å; L102-P128 HydrophobicContact CB-CG 4Å; L102-P128 WeakPolarHBondContact O-CB 3.31Å; Y106-P128 HydrophobicContact CD1-CB 4.18Å; Y106-P128 HydrophobicContact CD1-CG 4.09Å; Y106-P128 HydrophobicContact CE1-CB 4.11Å; Y106-P128 HydrophobicContact CE1-CG 3.81Å; Y106-P128 WeakPolarHBondContact CE1-O 3.37Å; P126-P128 CarbonylContact C-O 3.57Å; P126-P128 CarbonylContact O-C 3.29Å; P128-M130 PolarHBondContact O-N 3.45Å
129	P	98.4	Very high	98.6	Very high	56 Å²	56	18.7 Å²	18.7	36%	0.364	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-76.5	121.3	-173.6	27.9	-31.9	0	0	0	112.1	G105 Y106 P126	G105-P129 CarbonylContact C-O 3.6Å; G105-P129 WeakPolarHBondContact CA-O 3.22Å; Y106-P129 PolarHBondContact N-O 3.26Å; Y106-P129 VanDerWaalsContact N-O 3.08Å; P126-P129 WeakPolarHBondContact O-CA 3.13Å
130	M	98.8	Very high	98.6	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.069	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.6	166.7	-168.9	-177.3	-64.6	0	0	109.3	Y106 A108 L118 V121 A122 P128 L133 L219	Y106-M130 HydrophobicContact CD2-CG 4.48Å; Y106-M130 HydrophobicContact CE1-CB 4.35Å; Y106-M130 HydrophobicContact CE2-CB 4.07Å; Y106-M130 HydrophobicContact CE2-CE 3.84Å; Y106-M130 HydrophobicContact CE2-CG 3.94Å; Y106-M130 CarbonylContact O-C 3.54Å; Y106-M130 WeakPolarHBondContact O-CA 3.37Å; A108-M130 HydrophobicContact CB-CE 3.71Å; A108-M130 HydrophobicContact CB-CG 4.01Å; A108-M130 HydrophobicContact CB-SD 3.68Å; L118-M130 HydrophobicContact CB-CE 4.44Å; L118-M130 HydrophobicContact CD2-CE 4.28Å; L118-M130 WeakPolarHBondContact O-CE 3.35Å; V121-M130 HydrophobicContact CB-CE 4.34Å; V121-M130 HydrophobicContact CG1-CE 4Å; A122-M130 HydrophobicContact CB-CE 4.04Å; A122-M130 HydrophobicContact CB-SD 3.86Å; P128-M130 PolarHBondContact O-N 3.45Å; M130-L133 HydrophobicContact SD-CB 3.91Å; M130-L133 HydrophobicContact SD-CD1 4.14Å; M130-L133 HydrophobicContact SD-CG 4.44Å; M130-L219 HydrophobicContact CB-CD2 3.94Å; M130-L219 HydrophobicContact CG-CD2 3.7Å; M130-L219 HydrophobicContact SD-CD2 3.81Å
131	R	98.3	Very high	98.6	Very high	85 Å²	85	19.1 Å²	19.1	32%	0.321	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-60	-179.8	-64.4	-171.7	-178.9	-168	1.5	111.2	G104 Y106 L219 Q220	G104-R131 PolarHBondContact O-NH2 3.05Å; Y106-R131 PolarHBondContact O-N 3.36Å; R131-L219 CarbonylContact O-C 3.42Å; R131-L219 WeakPolarHBondContact O-CA 3.36Å; R131-Q220 PolarHBondContact O-N 3.1Å
132	T	98.8	Very high	98.5	Very high	7 Å²	7	19.1 Å²	19.1	4%	0.043	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.2	178.4	-63.2	0	0	0	0	110	N107 A108 I134 K221 F301	N107-T132 WeakPolarHBondContact OD1-CB 3.33Å; N107-T132 PolarHBondContact OD1-N 3.49Å; A108-T132 PolarHBondContact N-O 3.42Å; T132-I134 HydrophobicContact CG2-CG1 3.98Å; T132-K221 WeakPolarHBondContact CA-O 3.27Å; T132-K221 HydrophobicContact CG2-CB 3.85Å; T132-F301 HydrophobicContact CG2-CB 4.27Å
133	L	98.9	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.2	168.7	177.1	57.8	0	0	0	109.3	A108 L118 R119 M130 L219 K221 F222 V223	A108-L133 HydrophobicContact CB-CD1 4.17Å; A108-L133 CarbonylContact O-C 3.44Å; A108-L133 WeakPolarHBondContact O-CA 3.41Å; L118-L133 HydrophobicContact CB-CD1 3.64Å; L118-L133 HydrophobicContact CD1-CD1 4.38Å; R119-L133 HydrophobicContact CB-CD2 3.89Å; M130-L133 HydrophobicContact SD-CB 3.91Å; M130-L133 HydrophobicContact SD-CD1 4.14Å; M130-L133 HydrophobicContact SD-CG 4.44Å; L133-L219 HydrophobicContact CB-CD1 3.93Å; L133-L219 HydrophobicContact CB-CD2 4.29Å; L133-L219 HydrophobicContact CD2-CD1 4.37Å; L133-K221 PolarHBondContact N-O 3.16Å; L133-F222 HydrophobicContact CB-CD2 4.04Å; L133-F222 HydrophobicContact CD2-CD2 3.82Å; L133-F222 HydrophobicContact CD2-CE2 3.61Å; L133-F222 HydrophobicContact CD2-CZ 4.2Å; L133-F222 HydrophobicContact CG-CD2 3.87Å; L133-F222 HydrophobicContact CG-CE2 3.94Å; L133-F222 CarbonylContact O-C 3.39Å; L133-F222 WeakPolarHBondContact O-CA 3.44Å; L133-V223 PolarHBondContact O-N 2.03Å
134	I	98.9	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.4	170.8	-53.6	176.7	0	0	0	108.2	A108 M109 G110 T132 V136 V223 L298 F301 L302	A108-I134 PolarHBondContact O-N 3.23Å; M109-I134 CarbonylContact C-O 3.53Å; M109-I134 VanDerWaalsContact CA-O 3.26Å; M109-I134 WeakPolarHBondContact CA-O 3Å; M109-I134 HydrophobicContact CB-CB 4.31Å; M109-I134 HydrophobicContact CE-CB 4.12Å; M109-I134 HydrophobicContact CE-CD1 3.58Å; M109-I134 HydrophobicContact CE-CG1 4.41Å; M109-I134 HydrophobicContact CE-CG2 4.03Å; M109-I134 HydrophobicContact CG-CB 4.17Å; M109-I134 HydrophobicContact CG-CG2 4.33Å; G110-I134 PolarHBondContact N-O 3.11Å; T132-I134 HydrophobicContact CG2-CG1 3.98Å; I134-V136 HydrophobicContact CG2-CG2 3.99Å; I134-V223 HydrophobicContact CB-CB 4.44Å; I134-V223 HydrophobicContact CG1-CB 4.17Å; I134-V223 HydrophobicContact CG1-CG2 4.26Å; I134-V223 HydrophobicContact CG2-CB 4.27Å; I134-V223 HydrophobicContact CG2-CG1 4.37Å; I134-L298 HydrophobicContact CG2-CD1 4.27Å; I134-L298 HydrophobicContact CG2-CD2 3.96Å; I134-F301 HydrophobicContact CD1-CB 3.94Å; I134-L302 HydrophobicContact CD1-CD1 4.41Å; I134-L302 HydrophobicContact CD1-CD2 3.79Å; I134-L302 HydrophobicContact CD1-CG 3.96Å
135	S	98.9	Very high	96.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.6	174.5	-175.8	0	0	0	0	109	G138 H140 V223 V225	S135-G138 WeakPolarHBondContact OG-CA 3.3Å; S135-G138 PolarHBondContact OG-N 3.4Å; S135-H140 WeakPolarHBondContact CB-NE2 3.31Å; S135-H140 PolarHBondContact OG-CE1 3.39Å; S135-H140 VanDerWaalsContact OG-CE1 3.26Å; S135-H140 PolarHBondContact OG-NE2 2.96Å; S135-V223 PolarHBondContact N-O 2.97Å; S135-V225 PolarHBondContact O-N 3.48Å
136	V	98.9	Very high	95.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	95.9	-179.9	-172.3	0	0	0	0	108.5	M109 G110 F111 S112 I134 G138 V225 F227 L287 F289 L298	M109-V136 HydrophobicContact CG-CG2 4.03Å; M109-V136 HydrophobicContact SD-CG2 4.35Å; G110-V136 PolarHBondContact O-N 3.36Å; F111-V136 HydrophobicContact CD1-CB 3.89Å; F111-V136 HydrophobicContact CD1-CG1 4.02Å; F111-V136 HydrophobicContact CD1-CG2 4.31Å; F111-V136 HydrophobicContact CE1-CB 4.13Å; F111-V136 HydrophobicContact CE1-CG1 4.14Å; F111-V136 HydrophobicContact CE1-CG2 4.1Å; S112-V136 PolarHBondContact N-O 2.76Å; I134-V136 HydrophobicContact CG2-CG2 3.99Å; V136-G138 VanDerWaalsContact C-N 3.32Å; V136-G138 PolarHBondContact O-N 3.14Å; V136-V225 HydrophobicContact CG2-CG2 4.48Å; V136-F227 HydrophobicContact CG1-CE2 3.96Å; V136-F227 HydrophobicContact CG1-CZ 3.75Å; V136-L287 HydrophobicContact CG1-CD2 3.98Å; V136-L287 VanDerWaalsContact O-CD2 3.27Å; V136-L287 WeakPolarHBondContact O-CD2 3.42Å; V136-F289 HydrophobicContact CG1-CD1 4.41Å; V136-F289 HydrophobicContact CG1-CE1 3.99Å; V136-L298 HydrophobicContact CG2-CD1 4.18Å
137	G	98.6	Very high	93.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	66.2	28	-177.9	0	0	0	0	0	114.3	Q139 V225 H286	G137-Q139 PolarHBondContact O-NE2 3.17Å; G137-V225 WeakPolarHBondContact CA-O 3.29Å; G137-V225 PolarHBondContact N-O 3.15Å; G137-H286 PolarHBondContact O-CE1 3.47Å
138	G	98.6	Very high	91.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.			trans	-81.4	144.2	-176.9	0	0	0	0	0	114	S112 S135 V136 H140 E239	S112-G138 WeakPolarHBondContact O-CA 3.42Å; S135-G138 WeakPolarHBondContact OG-CA 3.3Å; S135-G138 PolarHBondContact OG-N 3.4Å; V136-G138 VanDerWaalsContact C-N 3.32Å; V136-G138 PolarHBondContact O-N 3.14Å; G138-H140 PolarHBondContact O-N 3Å; G138-E239 VanDerWaalsContact O-CA 3.29Å; G138-E239 WeakPolarHBondContact O-CA 3.45Å
139	Q	98.6	Very high	89.2	Confident	6 Å²	6	27.5 Å²	27.5	3%	0.028	14%	0.135	C	C	.	.			trans	-96	79.3	-169.2	-48.5	84.3	42.2	0	0	112	S112 G137 Q141 G142 V143 V233 T238	S112-Q139 PolarHBondContact OG-NE2 2.9Å; S112-Q139 VanDerWaalsContact OG-NE2 3.14Å; G137-Q139 PolarHBondContact O-NE2 3.17Å; Q139-Q141 VanDerWaalsContact C-N 3.31Å; Q139-Q141 PolarHBondContact O-N 3.47Å; Q139-G142 PolarHBondContact O-N 2.96Å; Q139-V143 HydrophobicContact CB-CG1 4.02Å; Q139-V143 HydrophobicContact CG-CG1 3.78Å; Q139-V233 HydrophobicContact CG-CG1 3.71Å; Q139-V233 HydrophobicContact CG-CG2 3.96Å; Q139-T238 HydrophobicContact CB-CG2 3.75Å; Q139-T238 HydrophobicContact CG-CG2 3.93Å
140	H	98.9	Very high	86.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-20.2	-169.3	-67.2	-47.8	0	0	0	114.9	R119 S135 G138 N203 F222 T238 F241	R119-H140 PolarHBondContact NE-ND1 3.36Å; R119-H140 PolarHBondContact NH2-O 3Å; S135-H140 WeakPolarHBondContact CB-NE2 3.31Å; S135-H140 PolarHBondContact OG-CE1 3.39Å; S135-H140 VanDerWaalsContact OG-CE1 3.26Å; S135-H140 PolarHBondContact OG-NE2 2.96Å; G138-H140 PolarHBondContact O-N 3Å; H140-N203 PolarHBondContact O-ND2 3.31Å; H140-F222 AromaticContact CD2-CZ 3.93Å; H140-F222 AromaticContact CE1-CZ 3.72Å; H140-F222 AromaticContact NE2-CE2 3.63Å; H140-F222 AromaticContact NE2-CZ 3.44Å; H140-F222 WeakPolarHBondContact NE2-CZ 3.43Å; H140-T238 PolarHBondContact N-O 3.24Å; H140-T238 VanDerWaalsContact N-O 3.14Å; H140-T238 PolarHBondContact N-OG1 3.1Å; H140-F241 HydrophobicContact CB-CB 4.37Å; H140-F241 HydrophobicContact CB-CD1 3.87Å; H140-F241 HydrophobicContact CB-CD2 3.44Å; H140-F241 VanDerWaalsContact CB-CD2 3.44Å; H140-F241 HydrophobicContact CB-CE1 3.94Å; H140-F241 HydrophobicContact CB-CE2 3.54Å; H140-F241 HydrophobicContact CB-CG 3.62Å; H140-F241 HydrophobicContact CB-CZ 3.8Å; H140-F241 AromaticContact CD2-CD2 3.91Å; H140-F241 AromaticContact CG-CD2 3.79Å; H140-F241 AromaticContact CG-CE2 3.8Å
141	Q	98.6	Very high	84	Confident	10 Å²	10	31.2 Å²	31.2	5%	0.047	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12.5	169	-71.1	-71	10.1	0	0	112.9	Q139 H184 N203 T238 F241 F243	Q139-Q141 VanDerWaalsContact C-N 3.31Å; Q139-Q141 PolarHBondContact O-N 3.47Å; Q141-H184 WeakPolarHBondContact O-CB 3.45Å; Q141-H184 PolarHBondContact O-ND1 2.95Å; Q141-N203 PolarHBondContact OE1-ND2 3.42Å; Q141-N203 VanDerWaalsContact OE1-ND2 3.1Å; Q141-T238 WeakPolarHBondContact CA-OG1 3.44Å; Q141-T238 PolarHBondContact N-OG1 2.98Å; Q141-F241 HydrophobicContact CG-CD1 3.9Å; Q141-F241 WeakPolarHBondContact CG-O 3.07Å; Q141-F241 PolarHBondContact NE2-O 2.81Å; Q141-F243 HydrophobicContact CB-CB 3.71Å; Q141-F243 HydrophobicContact CB-CD2 3.49Å; Q141-F243 VanDerWaalsContact CB-CD2 3.49Å; Q141-F243 HydrophobicContact CB-CE2 4.32Å; Q141-F243 HydrophobicContact CB-CG 3.73Å; Q141-F243 HydrophobicContact CG-CB 4Å; Q141-F243 WeakPolarHBondContact O-CE2 3.29Å
142	G	97.4	Very high	81.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.			trans	77.1	-162.2	-175.4	0	0	0	0	0	112.8	Q139 Y182 L199 T238 F243	Q139-G142 PolarHBondContact O-N 2.96Å; G142-Y182 WeakPolarHBondContact CA-O 3.37Å; G142-L199 VanDerWaalsContact CA-CD2 3.41Å; G142-T238 PolarHBondContact N-OG1 3.33Å; G142-T238 WeakPolarHBondContact O-CB 3.36Å; G142-T238 WeakPolarHBondContact O-CG2 3.36Å; G142-T238 PolarHBondContact O-OG1 3.28Å; G142-F243 WeakPolarHBondContact O-CE2 3.41Å
143	V	95.3	Very high	78.6	Confident	18 Å²	18	39 Å²	39	11%	0.109	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-135.2	152.1	179.5	-62.7	0	0	0	0	111.1	Q139 Y182 W183 H184 V233 D234	Q139-V143 HydrophobicContact CB-CG1 4.02Å; Q139-V143 HydrophobicContact CG-CG1 3.78Å; V143-Y182 HydrophobicContact CG2-CD2 4.16Å; V143-Y182 HydrophobicContact CG2-CE2 4.21Å; V143-Y182 PolarHBondContact N-O 2.92Å; V143-Y182 VanDerWaalsContact N-O 3.15Å; V143-W183 HydrophobicContact CG2-CE3 4.2Å; V143-H184 PolarHBondContact O-N 2.99Å; V143-V233 HydrophobicContact CG1-CG1 4.36Å; V143-D234 CarbonylContact C-O 3.51Å; V143-D234 VanDerWaalsContact CA-O 3.3Å; V143-D234 WeakPolarHBondContact CA-O 3.02Å; V143-D234 WeakPolarHBondContact CB-O 3.06Å
144	Y	89.9	Confident	76.6	Confident	49 Å²	49	41.1 Å²	41.1	19%	0.192	24%	0.238	C	C	.	.	S	Bend	trans	-134.1	40.3	172.5	-167.1	-116.1	0	0	0	111.9	W183 H184 D185 P186 L187 D234 L244 A249	Y144-W183 AromaticContact CD2-CE2 3.77Å; Y144-W183 AromaticContact CD2-CH2 3.96Å; Y144-W183 HydrophobicContact CD2-CH2 3.96Å; Y144-W183 AromaticContact CD2-CZ2 3.38Å; Y144-W183 HydrophobicContact CD2-CZ2 3.38Å; Y144-W183 HydrophobicContact CE2-CH2 4.4Å; Y144-W183 AromaticContact CE2-CZ2 3.55Å; Y144-W183 HydrophobicContact CE2-CZ2 3.55Å; Y144-W183 HydrophobicContact CG-CZ2 4.37Å; Y144-H184 WeakPolarHBondContact CB-O 3.41Å; Y144-H184 WeakPolarHBondContact CD2-O 3.26Å; Y144-D185 HydrophobicContact CD2-CB 4.17Å; Y144-D185 HydrophobicContact CE2-CB 3.75Å; Y144-D185 VanDerWaalsContact CE2-CG 3.43Å; Y144-D185 WeakPolarHBondContact CE2-OD1 3.43Å; Y144-D185 VanDerWaalsContact CZ-OD1 3.28Å; Y144-D185 PolarHBondContact OH-OD1 3.08Å; Y144-P186 VanDerWaalsContact CD1-CD 3.46Å; Y144-P186 HydrophobicContact CD1-CG 3.71Å; Y144-P186 HydrophobicContact CD2-CG 4.5Å; Y144-P186 HydrophobicContact CE1-CG 3.97Å; Y144-P186 HydrophobicContact CG-CG 3.98Å; Y144-L187 HydrophobicContact CE1-CG 4.41Å; Y144-L187 WeakPolarHBondContact OH-CD1 3.35Å; Y144-L187 WeakPolarHBondContact OH-CG 3.26Å; Y144-D234 PolarHBondContact N-O 3.38Å; Y144-L244 HydrophobicContact CD1-CD1 3.8Å; Y144-L244 HydrophobicContact CG-CD1 4.24Å; Y144-A249 HydrophobicContact CD1-CB 3.92Å; Y144-A249 HydrophobicContact CE1-CB 3.59Å
145	G	75.1	Confident	75.1	Confident	12 Å²	12	49 Å²	49	12%	0.124	28%	0.275	C	S	.	.			trans	-160.3	160.2	174.8	0	0	0	0	0	109.9
146	L	64.6	Low	73.7	Confident	76 Å²	76	51.6 Å²	51.6	40%	0.398	29%	0.288	S	S	.	.			trans	-124.2	69.7	177.8	-69.2	162.7	0	0	0	109.8	I160 R161 L164 W183	L146-I160 HydrophobicContact CD2-CG2 4.14Å; L146-R161 HydrophobicContact CD1-CB 3.65Å; L146-R161 HydrophobicContact CD1-CG 3.58Å; L146-L164 HydrophobicContact CD1-CD1 4.1Å; L146-L164 HydrophobicContact CD2-CD1 3.65Å; L146-L164 HydrophobicContact CG-CD1 4.27Å; L146-W183 HydrophobicContact CG-CZ3 4.15Å
147	P	55.8	Low	72.3	Confident	43 Å²	43	52.8 Å²	52.8	28%	0.279	30%	0.296	S	S	.	.			trans	-90.3	145.4	175.2	40.5	-36.3	0	0	0	110.3	C149 T231 V232 D234	P147-C149 PolarHBondContact O-N 3.15Å; P147-T231 WeakPolarHBondContact CB-O 3.36Å; P147-T231 VanDerWaalsContact CG-O 3.32Å; P147-T231 WeakPolarHBondContact CG-O 3.35Å; P147-V232 WeakPolarHBondContact CD-O 3.49Å; P147-V232 WeakPolarHBondContact CG-O 3.39Å; P147-D234 HydrophobicContact CG-CB 4.03Å
148	R	57.1	Low	70.8	Confident	169 Å²	169	56.2 Å²	56.2	64%	0.638	31%	0.314	S	S	*	.			trans	8	89.8	176	-64.9	175.8	179.4	-171.4	0.5	115.3	E152	R148-E152 VanDerWaalsContact CD-OE1 3.26Å; R148-E152 WeakPolarHBondContact CD-OE1 3.45Å; R148-E152 IonicContact NE-OE1 3.16Å
149	C	53.9	Low	69.5	Low	32 Å²	32	61.4 Å²	61.4	22%	0.216	34%	0.34	C	S	.	.			trans	-52	134	165.3	-88.2	0	0	0	0	111.4	P147 G151 C157	P147-C149 PolarHBondContact O-N 3.15Å; C149-G151 PolarHBondContact O-N 3.37Å; C149-C157 HydrophobicContact CB-CB 3.66Å; C149-C157 WeakPolarHBondContact CB-SG 3.45Å; C149-C157 WeakPolarHBondContact SG-CB 3.3Å; C149-C157 CovalentContact SG-SG 2.01Å; C149-C157 PolarHBondContact SG-SG 2.86Å
150	P	43.8	Very low	68.4	Low	87 Å²	87	61.3 Å²	61.3	57%	0.565	34%	0.34	S	S	*	.	S	Bend	trans	-55.9	125.4	168.4	-21.5	31.5	0	0	0	110.2
151	G	45.6	Very low	67.1	Low	60 Å²	60	67.1 Å²	67.1	62%	0.619	36%	0.362	S	S	*	.	S	Bend	trans	94.2	48.3	-171	0	0	0	0	0	113.4	C149 S153 S154	C149-G151 PolarHBondContact O-N 3.37Å; G151-S153 VanDerWaalsContact C-N 3.32Å; G151-S153 PolarHBondContact O-N 3.31Å; G151-S154 PolarHBondContact O-N 3.25Å
152	E	35.7	Very low	65.7	Low	138 Å²	138	71.2 Å²	71.2	65%	0.645	38%	0.38	S	S	*	.	S	Bend	trans	-45.9	79.1	-178	-67.5	-167.1	146.7	0	0	114.9	R148	R148-E152 VanDerWaalsContact CD-OE1 3.26Å; R148-E152 WeakPolarHBondContact CD-OE1 3.45Å; R148-E152 IonicContact NE-OE1 3.16Å
153	S	47.1	Very low	64.6	Low	117 Å²	117	72.3 Å²	72.3	82%	0.818	39%	0.39	S	S	*	.	S	Bend	trans	161.4	35	153.6	65	0	0	0	0	110.7	G151	G151-S153 VanDerWaalsContact C-N 3.32Å; G151-S153 PolarHBondContact O-N 3.31Å
154	S	57.7	Low	63.9	Low	46 Å²	46	72 Å²	72	32%	0.322	39%	0.387	S	S	.	.			trans	-91.3	123.5	-175.5	-176	0	0	0	0	110.9	G151 I156 C157	G151-S154 PolarHBondContact O-N 3.25Å; S154-I156 PolarHBondContact O-N 2.94Å; S154-I156 WeakPolarHBondContact OG-CB 3.37Å; S154-I156 PolarHBondContact OG-N 2.88Å; S154-C157 PolarHBondContact O-N 2.77Å
155	H	66.3	Low	62.9	Low	166 Å²	166	75.3 Å²	75.3	77%	0.769	41%	0.409	S	S	*	.	H	α-helix	trans	-47.9	-26.5	169.6	-73.2	-71	0	0	0	113.3	C157 M159	H155-C157 VanDerWaalsContact C-N 3.35Å; H155-M159 WeakPolarHBondContact O-CB 3.19Å; H155-M159 PolarHBondContact O-N 3.03Å
156	I	70.3	Confident	62.7	Low	55 Å²	55	84.1 Å²	84.1	28%	0.282	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-38.4	178	-63.1	172.5	0	0	0	111.3	F81 F82 S154 M159 I160	F81-I156 HydrophobicContact CD1-CG2 4.01Å; F81-I156 HydrophobicContact CE1-CG2 4.04Å; F81-I156 HydrophobicContact CG-CG2 4.35Å; F81-I156 HydrophobicContact CZ-CG2 4.43Å; F82-I156 HydrophobicContact CZ-CG2 4.11Å; S154-I156 PolarHBondContact O-N 2.94Å; S154-I156 WeakPolarHBondContact OG-CB 3.37Å; S154-I156 PolarHBondContact OG-N 2.88Å; I156-M159 WeakPolarHBondContact O-CB 3.15Å; I156-M159 PolarHBondContact O-N 3.43Å; I156-I160 HydrophobicContact CG2-CD1 3.91Å; I156-I160 WeakPolarHBondContact O-CD1 3.44Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.16Å; I156-I160 PolarHBondContact O-N 3.2Å
157	C	70	Confident	63.7	Low	24 Å²	24	81.7 Å²	81.7	16%	0.162	43%	0.432	C	S	.	.	H	α-helix	trans	-76.8	-35.2	-177.8	-72.4	0	0	0	0	113	C149 S154 H155 M159 I160 R161	C149-C157 HydrophobicContact CB-CB 3.66Å; C149-C157 WeakPolarHBondContact CB-SG 3.45Å; C149-C157 WeakPolarHBondContact SG-CB 3.3Å; C149-C157 CovalentContact SG-SG 2.01Å; C149-C157 PolarHBondContact SG-SG 2.86Å; S154-C157 PolarHBondContact O-N 2.77Å; H155-C157 VanDerWaalsContact C-N 3.35Å; C157-M159 VanDerWaalsContact C-N 3.31Å; C157-I160 PolarHBondContact O-N 3.27Å; C157-R161 WeakPolarHBondContact O-CB 3.44Å; C157-R161 PolarHBondContact O-N 3.45Å
158	D	67	Low	65.2	Low	73 Å²	73	79.9 Å²	79.9	39%	0.39	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-41.5	168.6	-77.1	-35.7	0	0	0	111.1	R161 E162	D158-R161 PolarHBondContact O-N 3.49Å; D158-R161 IonicContact OD1-CZ 3.43Å; D158-R161 IonicContact OD1-NE 3.51Å; D158-R161 IonicContact OD1-NH2 3.94Å; D158-R161 PolarHBondContact OD1-NH2 3.44Å; D158-E162 WeakPolarHBondContact O-CB 3.12Å; D158-E162 WeakPolarHBondContact O-CG 3.43Å; D158-E162 PolarHBondContact O-N 3.25Å
159	M	70.6	Confident	67	Low	109 Å²	109	72.6 Å²	72.6	54%	0.537	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-46.5	175.3	-174.5	-168.4	-57.1	0	0	112.2	H155 I156 C157 R161 E162 A163	H155-M159 WeakPolarHBondContact O-CB 3.19Å; H155-M159 PolarHBondContact O-N 3.03Å; I156-M159 WeakPolarHBondContact O-CB 3.15Å; I156-M159 PolarHBondContact O-N 3.43Å; C157-M159 VanDerWaalsContact C-N 3.31Å; M159-R161 VanDerWaalsContact C-N 3.33Å; M159-R161 PolarHBondContact O-N 2.95Å; M159-E162 PolarHBondContact O-N 2.89Å; M159-A163 WeakPolarHBondContact O-CB 3.36Å; M159-A163 PolarHBondContact O-N 2.73Å
160	I	75.4	Confident	68.9	Low	4 Å²	4	73.4 Å²	73.4	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-57.7	-48.7	175.6	-72	159.4	0	0	0	109.9	F81 L146 I156 C157 E162 A163 L164 L177 Q179	F81-I160 HydrophobicContact CD1-CD1 3.76Å; F81-I160 HydrophobicContact CE1-CD1 4.02Å; L146-I160 HydrophobicContact CD2-CG2 4.14Å; I156-I160 HydrophobicContact CG2-CD1 3.91Å; I156-I160 WeakPolarHBondContact O-CD1 3.44Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.16Å; I156-I160 PolarHBondContact O-N 3.2Å; C157-I160 PolarHBondContact O-N 3.27Å; I160-E162 PolarHBondContact O-N 2.8Å; I160-A163 PolarHBondContact O-N 3.5Å; I160-L164 HydrophobicContact CG2-CD1 3.66Å; I160-L164 HydrophobicContact CG2-CG 4.31Å; I160-L164 WeakPolarHBondContact O-CB 3.46Å; I160-L164 VanDerWaalsContact O-CG 3.29Å; I160-L164 WeakPolarHBondContact O-CG 3.01Å; I160-L164 PolarHBondContact O-N 2.73Å; I160-L177 HydrophobicContact CG1-CD1 3.9Å; I160-L177 HydrophobicContact CG1-CD2 4.38Å; I160-L177 HydrophobicContact CG2-CD2 4.39Å; I160-Q179 HydrophobicContact CD1-CG 4.33Å; I160-Q179 HydrophobicContact CG2-CB 4.08Å; I160-Q179 HydrophobicContact CG2-CG 4.2Å
161	R	71.9	Confident	71.2	Confident	122 Å²	122	74.1 Å²	74.1	46%	0.46	40%	0.398	S	S	.	.	H	α-helix	trans	-58.6	-47.4	179.2	177.4	169.2	65.3	157.7	-1	112.3	L146 C157 D158 M159 L164 N165	L146-R161 HydrophobicContact CD1-CB 3.65Å; L146-R161 HydrophobicContact CD1-CG 3.58Å; C157-R161 WeakPolarHBondContact O-CB 3.44Å; C157-R161 PolarHBondContact O-N 3.45Å; D158-R161 PolarHBondContact O-N 3.49Å; D158-R161 IonicContact OD1-CZ 3.43Å; D158-R161 IonicContact OD1-NE 3.51Å; D158-R161 IonicContact OD1-NH2 3.94Å; D158-R161 PolarHBondContact OD1-NH2 3.44Å; M159-R161 VanDerWaalsContact C-N 3.33Å; M159-R161 PolarHBondContact O-N 2.95Å; R161-L164 PolarHBondContact O-N 3.15Å; R161-N165 WeakPolarHBondContact O-CB 3.46Å; R161-N165 PolarHBondContact O-N 3.36Å; R161-N165 PolarHBondContact O-ND2 3.3Å
162	E	69.4	Low	73.4	Confident	95 Å²	95	77.2 Å²	77.2	44%	0.444	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-42.3	177.6	-74.4	-172.7	-172.8	0	0	112.3	D158 M159 I160 N165 R166	D158-E162 WeakPolarHBondContact O-CB 3.12Å; D158-E162 WeakPolarHBondContact O-CG 3.43Å; D158-E162 PolarHBondContact O-N 3.25Å; M159-E162 PolarHBondContact O-N 2.89Å; I160-E162 PolarHBondContact O-N 2.8Å; E162-N165 PolarHBondContact O-N 2.96Å; E162-R166 WeakPolarHBondContact O-CB 3.06Å; E162-R166 WeakPolarHBondContact O-CG 3.39Å; E162-R166 PolarHBondContact O-N 3.22Å; E162-R166 IonicContact OE2-CZ 2.7Å; E162-R166 IonicContact OE2-NE 3.77Å; E162-R166 IonicContact OE2-NH2 3.87Å; E162-R166 PolarHBondContact OE2-NH2 3.25Å
163	A	75	Confident	76.1	Confident	24 Å²	24	71.9 Å²	71.9	20%	0.198	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-44.7	177.6	0	0	0	0	0	112.1	M159 I160 R166 G167 V173 L177	M159-A163 WeakPolarHBondContact O-CB 3.36Å; M159-A163 PolarHBondContact O-N 2.73Å; I160-A163 PolarHBondContact O-N 3.5Å; A163-R166 PolarHBondContact O-N 2.98Å; A163-G167 CarbonylContact O-C 3.56Å; A163-G167 PolarHBondContact O-N 3.15Å; A163-V173 HydrophobicContact CB-CG1 4.4Å; A163-L177 HydrophobicContact CB-CD2 3.9Å
164	L	78.7	Confident	78.4	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-44.2	178.6	-67.9	170.9	0	0	0	111.5	L146 I160 R161 R166 G167 A168 A180 W183	L146-L164 HydrophobicContact CD1-CD1 4.1Å; L146-L164 HydrophobicContact CD2-CD1 3.65Å; L146-L164 HydrophobicContact CG-CD1 4.27Å; I160-L164 HydrophobicContact CG2-CD1 3.66Å; I160-L164 HydrophobicContact CG2-CG 4.31Å; I160-L164 WeakPolarHBondContact O-CB 3.46Å; I160-L164 VanDerWaalsContact O-CG 3.29Å; I160-L164 WeakPolarHBondContact O-CG 3.01Å; I160-L164 PolarHBondContact O-N 2.73Å; R161-L164 PolarHBondContact O-N 3.15Å; L164-R166 PolarHBondContact O-N 3.26Å; L164-G167 PolarHBondContact O-N 3.41Å; L164-A168 HydrophobicContact CB-CB 4.41Å; L164-A168 HydrophobicContact CD2-CB 3.62Å; L164-A168 PolarHBondContact O-N 3.12Å; L164-A180 HydrophobicContact CD2-CB 3.78Å; L164-W183 HydrophobicContact CD1-CD2 4.38Å; L164-W183 HydrophobicContact CD1-CE3 3.8Å; L164-W183 HydrophobicContact CD1-CZ3 4.1Å; L164-W183 HydrophobicContact CD2-CB 3.92Å; L164-W183 HydrophobicContact CD2-CD2 4.13Å; L164-W183 HydrophobicContact CD2-CE3 4.31Å; L164-W183 HydrophobicContact CD2-CG 3.96Å
165	N	70.6	Confident	80.2	Confident	120 Å²	120	69.3 Å²	69.3	64%	0.642	34%	0.344	S	S	*	.	H	α-helix	trans	-66.2	-33.3	177.7	-72.9	-23.5	0	0	0	113.6	R161 E162	R161-N165 WeakPolarHBondContact O-CB 3.46Å; R161-N165 PolarHBondContact O-N 3.36Å; R161-N165 PolarHBondContact O-ND2 3.3Å; E162-N165 PolarHBondContact O-N 2.96Å
166	R	70.1	Confident	81.5	Confident	196 Å²	196	66.6 Å²	66.6	74%	0.74	33%	0.332	S	S	*	.	H	α-helix	trans	-82.9	-25.4	-178.5	-69.9	174.3	-155	-123.6	11.9	113	E162 A163 L164	E162-R166 WeakPolarHBondContact O-CB 3.06Å; E162-R166 WeakPolarHBondContact O-CG 3.39Å; E162-R166 PolarHBondContact O-N 3.22Å; E162-R166 IonicContact OE2-CZ 2.7Å; E162-R166 IonicContact OE2-NE 3.77Å; E162-R166 IonicContact OE2-NH2 3.87Å; E162-R166 PolarHBondContact OE2-NH2 3.25Å; A163-R166 PolarHBondContact O-N 2.98Å; L164-R166 PolarHBondContact O-N 3.26Å
167	G	84.8	Confident	82.6	Confident	26 Å²	26	64.7 Å²	64.7	27%	0.268	32%	0.322	S	S	.	.	H	α-helix	trans	162.9	65.8	-179.9	0	0	0	0	0	114.2	A163 L164 Y169 S170	A163-G167 CarbonylContact O-C 3.56Å; A163-G167 PolarHBondContact O-N 3.15Å; L164-G167 PolarHBondContact O-N 3.41Å; G167-Y169 PolarHBondContact O-N 2.93Å; G167-Y169 VanDerWaalsContact O-N 3.07Å; G167-S170 WeakPolarHBondContact O-CB 3.42Å; G167-S170 PolarHBondContact O-N 3.26Å; G167-S170 PolarHBondContact O-OG 3.1Å
168	A	88.1	Confident	83.9	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.033	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-37.1	174.8	0	0	0	0	0	113.1	L164 Q174 W183	L164-A168 HydrophobicContact CB-CB 4.41Å; L164-A168 HydrophobicContact CD2-CB 3.62Å; L164-A168 PolarHBondContact O-N 3.12Å; A168-Q174 WeakPolarHBondContact O-CG 3.34Å; A168-Q174 PolarHBondContact O-NE2 3.35Å; A168-W183 HydrophobicContact CB-CB 4.4Å; A168-W183 HydrophobicContact CB-CG 4.01Å
169	Y	94.3	Very high	85.2	Confident	17 Å²	17	60.5 Å²	60.5	7%	0.067	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9.3	-175.6	-61.5	-55.6	0	0	0	115.1	G167 W183 H184 D185 L191 Y192 H195	G167-Y169 PolarHBondContact O-N 2.93Å; G167-Y169 VanDerWaalsContact O-N 3.07Å; Y169-W183 WeakPolarHBondContact CE1-O 3.29Å; Y169-W183 AromaticContact CZ-CD1 3.65Å; Y169-W183 VanDerWaalsContact OH-CD1 3.27Å; Y169-W183 PolarHBondContact OH-O 3.36Å; Y169-H184 WeakPolarHBondContact OH-CA 3.13Å; Y169-D185 HydrophobicContact CE2-CB 3.82Å; Y169-D185 PolarHBondContact OH-N 3.31Å; Y169-L191 HydrophobicContact CD2-CB 4.42Å; Y169-L191 HydrophobicContact CD2-CD2 3.51Å; Y169-L191 HydrophobicContact CD2-CG 3.65Å; Y169-L191 HydrophobicContact CE2-CD2 4.31Å; Y169-L191 HydrophobicContact CE2-CG 4.42Å; Y169-L191 HydrophobicContact CG-CD2 4.27Å; Y169-L191 HydrophobicContact CG-CG 4.06Å; Y169-Y192 HydrophobicContact CE1-CD2 4.11Å; Y169-Y192 WeakPolarHBondContact OH-CB 3.47Å; Y169-H195 HydrophobicContact CD1-CB 4.18Å; Y169-H195 HydrophobicContact CG-CB 4.24Å
170	S	94.3	Very high	86.4	Confident	49 Å²	49	55.3 Å²	55.3	34%	0.343	27%	0.273	S	S	.	.	S	Bend	trans	-72.3	144.1	170.3	67	0	0	0	0	111.1	G167 L172 V173 Q174	G167-S170 WeakPolarHBondContact O-CB 3.42Å; G167-S170 PolarHBondContact O-N 3.26Å; G167-S170 PolarHBondContact O-OG 3.1Å; S170-L172 PolarHBondContact O-N 3.38Å; S170-L172 VanDerWaalsContact O-N 3.14Å; S170-V173 PolarHBondContact O-N 3.42Å; S170-V173 VanDerWaalsContact O-N 3.13Å; S170-V173 WeakPolarHBondContact OG-CB 3.41Å; S170-V173 VanDerWaalsContact OG-CG2 3.24Å; S170-V173 WeakPolarHBondContact OG-CG2 3.11Å; S170-V173 PolarHBondContact OG-N 3.39Å; S170-Q174 WeakPolarHBondContact O-CB 3.46Å; S170-Q174 PolarHBondContact O-N 3.35Å
171	D	92.3	Very high	87.4	Confident	102 Å²	102	55.1 Å²	55.1	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-53.7	-36.8	180	-75.2	-3	0	0	0	113.2	K175	D171-K175 WeakPolarHBondContact O-CB 3.48Å; D171-K175 WeakPolarHBondContact O-CD 3.47Å; D171-K175 VanDerWaalsContact O-CG 3.24Å; D171-K175 WeakPolarHBondContact O-CG 3.46Å; D171-K175 PolarHBondContact O-N 2.98Å; D171-K175 VanDerWaalsContact O-N 3.15Å
172	L	92.4	Very high	88.7	Confident	124 Å²	124	49.8 Å²	49.8	65%	0.649	25%	0.251	S	S	*	.	H	α-helix	trans	-66	-50.7	179.4	-178.7	67.8	0	0	0	111	S170 K175 H176	S170-L172 PolarHBondContact O-N 3.38Å; S170-L172 VanDerWaalsContact O-N 3.14Å; L172-K175 PolarHBondContact O-N 3.16Å; L172-H176 PolarHBondContact O-N 3.18Å; L172-H176 PolarHBondContact O-ND1 2.93Å
173	V	92.4	Very high	90	Very high	26 Å²	26	46.3 Å²	46.3	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-67.8	-45.1	-178.1	175.2	0	0	0	0	110.2	A163 S170 K175 H176 L177 A180	A163-V173 HydrophobicContact CB-CG1 4.4Å; S170-V173 PolarHBondContact O-N 3.42Å; S170-V173 VanDerWaalsContact O-N 3.13Å; S170-V173 WeakPolarHBondContact OG-CB 3.41Å; S170-V173 VanDerWaalsContact OG-CG2 3.24Å; S170-V173 WeakPolarHBondContact OG-CG2 3.11Å; S170-V173 PolarHBondContact OG-N 3.39Å; V173-K175 PolarHBondContact O-N 3.44Å; V173-H176 PolarHBondContact O-N 3.37Å; V173-L177 HydrophobicContact CG1-CB 4.14Å; V173-L177 HydrophobicContact CG1-CD2 4.13Å; V173-L177 WeakPolarHBondContact O-CB 3.18Å; V173-L177 PolarHBondContact O-N 2.94Å; V173-A180 HydrophobicContact CG1-CB 3.57Å
174	Q	95.5	Very high	90.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-35.9	176	-76.7	-66.7	-53.7	0	0	112.6	A168 S170 A180 Q181 L197	A168-Q174 WeakPolarHBondContact O-CG 3.34Å; A168-Q174 PolarHBondContact O-NE2 3.35Å; S170-Q174 WeakPolarHBondContact O-CB 3.46Å; S170-Q174 PolarHBondContact O-N 3.35Å; Q174-A180 VanDerWaalsContact NE2-C 3.29Å; Q174-A180 PolarHBondContact NE2-O 2.84Å; Q174-Q181 VanDerWaalsContact O-CD 3.29Å; Q174-Q181 WeakPolarHBondContact O-CG 3.23Å; Q174-Q181 PolarHBondContact O-NE2 2.83Å; Q174-L197 HydrophobicContact CB-CD1 3.64Å; Q174-L197 HydrophobicContact CB-CG 3.8Å; Q174-L197 HydrophobicContact CG-CG 4.3Å
175	K	94.1	Very high	91.6	Very high	109 Å²	109	46.6 Å²	46.6	47%	0.474	23%	0.232	S	C	.	.	H	α-helix	trans	-83.3	-18	-178.3	-72.8	173.9	-175.5	169.8	0	115.1	D171 L172 V173 L197	D171-K175 WeakPolarHBondContact O-CB 3.48Å; D171-K175 WeakPolarHBondContact O-CD 3.47Å; D171-K175 VanDerWaalsContact O-CG 3.24Å; D171-K175 WeakPolarHBondContact O-CG 3.46Å; D171-K175 PolarHBondContact O-N 2.98Å; D171-K175 VanDerWaalsContact O-N 3.15Å; L172-K175 PolarHBondContact O-N 3.16Å; V173-K175 PolarHBondContact O-N 3.44Å; K175-L197 HydrophobicContact CG-CD1 3.79Å
176	H	93.6	Very high	92.5	Very high	110 Å²	110	41 Å²	41	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-124.2	-1.5	-171.4	-59.7	87.1	0	0	0	114	F82 L172 V173	F82-H176 WeakPolarHBondContact CA-O 3.4Å; L172-H176 PolarHBondContact O-N 3.18Å; L172-H176 PolarHBondContact O-ND1 2.93Å; V173-H176 PolarHBondContact O-N 3.37Å
177	L	94.5	Very high	93.4	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.073	19%	0.192	C	C	.	.			trans	-130.5	111.3	178.9	-164.4	64.5	0	0	0	110.6	F82 I160 A163 V173 Q179 A180 Q181	F82-L177 HydrophobicContact CD1-CD1 4.21Å; F82-L177 HydrophobicContact CE1-CD1 4.17Å; I160-L177 HydrophobicContact CG1-CD1 3.9Å; I160-L177 HydrophobicContact CG1-CD2 4.38Å; I160-L177 HydrophobicContact CG2-CD2 4.39Å; A163-L177 HydrophobicContact CB-CD2 3.9Å; V173-L177 HydrophobicContact CG1-CB 4.14Å; V173-L177 HydrophobicContact CG1-CD2 4.13Å; V173-L177 WeakPolarHBondContact O-CB 3.18Å; V173-L177 PolarHBondContact O-N 2.94Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.18Å; L177-A180 HydrophobicContact CB-CB 4.08Å; L177-A180 HydrophobicContact CD2-CB 4.3Å; L177-A180 HydrophobicContact CG-CB 4.43Å; L177-A180 WeakPolarHBondContact O-CB 3.22Å; L177-A180 PolarHBondContact O-N 2.77Å; L177-A180 VanDerWaalsContact O-N 3.15Å; L177-Q181 PolarHBondContact O-N 3.49Å
178	V	96.4	Very high	93.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55	-45.8	-180	165.7	0	0	0	0	111.2	F81 L83 V85 F117 A180 Q181 Y182	F81-V178 WeakPolarHBondContact O-CB 3.47Å; F81-V178 WeakPolarHBondContact O-CG2 3.32Å; F81-V178 PolarHBondContact O-N 3.49Å; L83-V178 WeakPolarHBondContact O-CG2 3.12Å; V85-V178 HydrophobicContact CG2-CB 4.26Å; V85-V178 HydrophobicContact CG2-CG1 3.83Å; V85-V178 HydrophobicContact CG2-CG2 4.07Å; F117-V178 HydrophobicContact CE2-CG1 4.43Å; F117-V178 HydrophobicContact CZ-CG1 3.7Å; V178-A180 PolarHBondContact O-N 2.98Å; V178-Q181 WeakPolarHBondContact O-CB 3.41Å; V178-Q181 PolarHBondContact O-N 3.1Å; V178-Y182 HydrophobicContact CG1-CE1 3.65Å; V178-Y182 WeakPolarHBondContact O-CD1 3.19Å; V178-Y182 WeakPolarHBondContact O-CE1 3.27Å
179	Q	94.3	Very high	93.9	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-32.9	-177.3	-65.5	65	42.6	0	0	111.9	M38 G80 I160 L177 Q181 Y182 W183	M38-Q179 HydrophobicContact SD-CG 3.8Å; M38-Q179 PolarHBondContact SD-NE2 2.9Å; G80-Q179 PolarHBondContact O-NE2 3.48Å; I160-Q179 HydrophobicContact CD1-CG 4.33Å; I160-Q179 HydrophobicContact CG2-CB 4.08Å; I160-Q179 HydrophobicContact CG2-CG 4.2Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.18Å; Q179-Q181 VanDerWaalsContact C-N 3.29Å; Q179-Q181 PolarHBondContact O-N 3.06Å; Q179-Y182 HydrophobicContact CB-CE2 4.46Å; Q179-Y182 WeakPolarHBondContact CG-OH 3.4Å; Q179-Y182 PolarHBondContact O-N 3.22Å; Q179-W183 PolarHBondContact O-N 3.24Å
180	A	95.4	Very high	93.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-31.6	176.3	0	0	0	0	0	112.3	L164 V173 Q174 L177 V178 Y182 W183	L164-A180 HydrophobicContact CD2-CB 3.78Å; V173-A180 HydrophobicContact CG1-CB 3.57Å; Q174-A180 VanDerWaalsContact NE2-C 3.29Å; Q174-A180 PolarHBondContact NE2-O 2.84Å; L177-A180 HydrophobicContact CB-CB 4.08Å; L177-A180 HydrophobicContact CD2-CB 4.3Å; L177-A180 HydrophobicContact CG-CB 4.43Å; L177-A180 WeakPolarHBondContact O-CB 3.22Å; L177-A180 PolarHBondContact O-N 2.77Å; L177-A180 VanDerWaalsContact O-N 3.15Å; V178-A180 PolarHBondContact O-N 2.98Å; A180-Y182 PolarHBondContact O-N 3.28Å; A180-W183 WeakPolarHBondContact O-CB 3.4Å; A180-W183 PolarHBondContact O-N 3.48Å; A180-W183 VanDerWaalsContact O-N 3.15Å
181	Q	98.1	Very high	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.1	-17.9	-177.3	-57.8	-164.6	6.4	0	0	113.4	D84 V85 Q174 L177 V178 Q179 S196 F198 L199	D84-Q181 PolarHBondContact OD2-NE2 3.12Å; V85-Q181 HydrophobicContact CG2-CB 4.31Å; V85-Q181 VanDerWaalsContact CG2-OE1 3.31Å; Q174-Q181 VanDerWaalsContact O-CD 3.29Å; Q174-Q181 WeakPolarHBondContact O-CG 3.23Å; Q174-Q181 PolarHBondContact O-NE2 2.83Å; L177-Q181 PolarHBondContact O-N 3.49Å; V178-Q181 WeakPolarHBondContact O-CB 3.41Å; V178-Q181 PolarHBondContact O-N 3.1Å; Q179-Q181 VanDerWaalsContact C-N 3.29Å; Q179-Q181 PolarHBondContact O-N 3.06Å; Q181-S196 PolarHBondContact O-OG 3.32Å; Q181-S196 VanDerWaalsContact O-OG 3.08Å; Q181-F198 HydrophobicContact CB-CB 3.72Å; Q181-L199 WeakPolarHBondContact O-CB 3.3Å; Q181-L199 PolarHBondContact O-N 2.71Å; Q181-L199 VanDerWaalsContact O-N 3.1Å
182	Y	97.7	Very high	94	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.039	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	18.8	170.6	58.5	-104.1	0	0	0	113.6	Q113 F117 G142 V143 V178 Q179 A180 H184	Q113-Y182 HydrophobicContact CB-CE1 4.15Å; Q113-Y182 PolarHBondContact OE1-OH 3.42Å; F117-Y182 HydrophobicContact CE1-CD1 4.19Å; F117-Y182 HydrophobicContact CE1-CE1 4.18Å; F117-Y182 HydrophobicContact CZ-CE1 4.12Å; G142-Y182 WeakPolarHBondContact CA-O 3.37Å; V143-Y182 HydrophobicContact CG2-CD2 4.16Å; V143-Y182 HydrophobicContact CG2-CE2 4.21Å; V143-Y182 PolarHBondContact N-O 2.92Å; V143-Y182 VanDerWaalsContact N-O 3.15Å; V178-Y182 HydrophobicContact CG1-CE1 3.65Å; V178-Y182 WeakPolarHBondContact O-CD1 3.19Å; V178-Y182 WeakPolarHBondContact O-CE1 3.27Å; Q179-Y182 HydrophobicContact CB-CE2 4.46Å; Q179-Y182 WeakPolarHBondContact CG-OH 3.4Å; Q179-Y182 PolarHBondContact O-N 3.22Å; A180-Y182 PolarHBondContact O-N 3.28Å; Y182-H184 PolarHBondContact O-N 3.3Å
183	W	96.6	Very high	94.2	Very high	21 Å²	21	37.4 Å²	37.4	8%	0.08	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-71.6	124.2	165.2	-178.2	-99.9	0	0	0	109.3	V143 Y144 L146 L164 A168 Y169 Q179 A180 Y192	V143-W183 HydrophobicContact CG2-CE3 4.2Å; Y144-W183 AromaticContact CD2-CE2 3.77Å; Y144-W183 AromaticContact CD2-CH2 3.96Å; Y144-W183 HydrophobicContact CD2-CH2 3.96Å; Y144-W183 AromaticContact CD2-CZ2 3.38Å; Y144-W183 HydrophobicContact CD2-CZ2 3.38Å; Y144-W183 HydrophobicContact CE2-CH2 4.4Å; Y144-W183 AromaticContact CE2-CZ2 3.55Å; Y144-W183 HydrophobicContact CE2-CZ2 3.55Å; Y144-W183 HydrophobicContact CG-CZ2 4.37Å; L146-W183 HydrophobicContact CG-CZ3 4.15Å; L164-W183 HydrophobicContact CD1-CD2 4.38Å; L164-W183 HydrophobicContact CD1-CE3 3.8Å; L164-W183 HydrophobicContact CD1-CZ3 4.1Å; L164-W183 HydrophobicContact CD2-CB 3.92Å; L164-W183 HydrophobicContact CD2-CD2 4.13Å; L164-W183 HydrophobicContact CD2-CE3 4.31Å; L164-W183 HydrophobicContact CD2-CG 3.96Å; A168-W183 HydrophobicContact CB-CB 4.4Å; A168-W183 HydrophobicContact CB-CG 4.01Å; Y169-W183 WeakPolarHBondContact CE1-O 3.29Å; Y169-W183 AromaticContact CZ-CD1 3.65Å; Y169-W183 VanDerWaalsContact OH-CD1 3.27Å; Y169-W183 PolarHBondContact OH-O 3.36Å; Q179-W183 PolarHBondContact O-N 3.24Å; A180-W183 WeakPolarHBondContact O-CB 3.4Å; A180-W183 PolarHBondContact O-N 3.48Å; A180-W183 VanDerWaalsContact O-N 3.15Å; W183-Y192 WeakPolarHBondContact O-CD2 3.47Å
184	H	95.5	Very high	94.4	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.056	21%	0.208	C	C	.	.			trans	-124.9	101.2	-176.2	-177.7	-178.9	0	0	0	109	Q141 V143 Y144 Y169 Y182 P186 D189 Y192 L199 F243	Q141-H184 WeakPolarHBondContact O-CB 3.45Å; Q141-H184 PolarHBondContact O-ND1 2.95Å; V143-H184 PolarHBondContact O-N 2.99Å; Y144-H184 WeakPolarHBondContact CB-O 3.41Å; Y144-H184 WeakPolarHBondContact CD2-O 3.26Å; Y169-H184 WeakPolarHBondContact OH-CA 3.13Å; Y182-H184 PolarHBondContact O-N 3.3Å; H184-P186 WeakPolarHBondContact O-CD 3.47Å; H184-D189 IonicContact NE2-OD1 2.77Å; H184-Y192 HydrophobicContact CB-CD2 4.19Å; H184-Y192 HydrophobicContact CB-CE2 4.04Å; H184-Y192 AromaticContact CD2-CD1 3.29Å; H184-Y192 WeakPolarHBondContact CD2-CD1 3.39Å; H184-Y192 AromaticContact CD2-CD2 3.94Å; H184-Y192 AromaticContact CD2-CE1 3.5Å; H184-Y192 AromaticContact CD2-CG 3.53Å; H184-Y192 AromaticContact CD2-CZ 3.9Å; H184-Y192 AromaticContact CE1-CE1 3.8Å; H184-Y192 AromaticContact CG-CE1 3.93Å; H184-Y192 AromaticContact CG-CE2 3.99Å; H184-Y192 AromaticContact CG-CZ 3.87Å; H184-Y192 AromaticContact NE2-CD1 3.44Å; H184-Y192 WeakPolarHBondContact NE2-CD1 3.41Å; H184-Y192 AromaticContact NE2-CE1 3.43Å; H184-Y192 WeakPolarHBondContact NE2-CE1 3.38Å; H184-L199 HydrophobicContact CB-CD2 4.14Å; H184-F243 HydrophobicContact CB-CE1 3.87Å; H184-F243 HydrophobicContact CB-CE2 4.41Å; H184-F243 HydrophobicContact CB-CZ 3.61Å; H184-F243 AromaticContact CD2-CE1 3.81Å; H184-F243 AromaticContact CE1-CD1 3.52Å; H184-F243 AromaticContact CE1-CE1 3.61Å; H184-F243 AromaticContact CG-CE1 3.38Å; H184-F243 AromaticContact CG-CZ 3.66Å; H184-F243 AromaticContact ND1-CD1 3.46Å; H184-F243 WeakPolarHBondContact ND1-CD1 3.38Å; H184-F243 AromaticContact ND1-CE1 3.24Å; H184-F243 WeakPolarHBondContact ND1-CE1 3.49Å; H184-F243 AromaticContact ND1-CZ 3.66Å; H184-F243 AromaticContact NE2-CE1 3.94Å; H184-F243 WeakPolarHBondContact O-CZ 3.32Å
185	D	93.2	Very high	94.5	Very high	28 Å²	28	45.2 Å²	45.2	15%	0.15	22%	0.22	C	C	.	.			trans	-85.1	105.1	-179.9	-173.4	-8.2	0	0	0	111.1	Y144 Y169 L187 N188 D189	Y144-D185 HydrophobicContact CD2-CB 4.17Å; Y144-D185 HydrophobicContact CE2-CB 3.75Å; Y144-D185 VanDerWaalsContact CE2-CG 3.43Å; Y144-D185 WeakPolarHBondContact CE2-OD1 3.43Å; Y144-D185 VanDerWaalsContact CZ-OD1 3.28Å; Y144-D185 PolarHBondContact OH-OD1 3.08Å; Y169-D185 HydrophobicContact CE2-CB 3.82Å; Y169-D185 PolarHBondContact OH-N 3.31Å; D185-L187 PolarHBondContact O-N 2.84Å; D185-L187 WeakPolarHBondContact OD1-CA 3.31Å; D185-L187 VanDerWaalsContact OD1-CB 3.31Å; D185-L187 WeakPolarHBondContact OD1-CB 3Å; D185-L187 PolarHBondContact OD1-N 3.06Å; D185-N188 CarbonylContact O-C 3.56Å; D185-N188 VanDerWaalsContact O-C 3.29Å; D185-N188 PolarHBondContact O-N 3.35Å; D185-N188 PolarHBondContact OD1-N 2.91Å; D185-D189 WeakPolarHBondContact O-CA 3.29Å; D185-D189 PolarHBondContact O-N 3.13Å
186	P	89.2	Confident	94.6	Very high	2 Å²	2	40 Å²	40	1%	0.013	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-72.8	-17.9	179.2	34.4	-37.5	0	0	0	112	Y144 H184 F243 L244 G247 Q248 A249	Y144-P186 VanDerWaalsContact CD1-CD 3.46Å; Y144-P186 HydrophobicContact CD1-CG 3.71Å; Y144-P186 HydrophobicContact CD2-CG 4.5Å; Y144-P186 HydrophobicContact CE1-CG 3.97Å; Y144-P186 HydrophobicContact CG-CG 3.98Å; H184-P186 WeakPolarHBondContact O-CD 3.47Å; P186-F243 HydrophobicContact CB-CE1 4.41Å; P186-L244 HydrophobicContact CB-CB 3.94Å; P186-L244 HydrophobicContact CG-CB 3.9Å; P186-L244 HydrophobicContact CG-CD1 3.81Å; P186-G247 WeakPolarHBondContact O-CA 3.39Å; P186-G247 PolarHBondContact O-N 3.31Å; P186-Q248 WeakPolarHBondContact CB-O 3.49Å; P186-Q248 VanDerWaalsContact CG-O 3.24Å; P186-Q248 WeakPolarHBondContact CG-O 3.43Å; P186-A249 HydrophobicContact CG-CB 4.4Å
187	L	88.9	Confident	94.8	Very high	100 Å²	100	37.3 Å²	37.3	52%	0.524	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-76.4	-27.8	176.6	-57.8	-176	0	0	0	111.8	Y144 D185 Q248 A249	Y144-L187 HydrophobicContact CE1-CG 4.41Å; Y144-L187 WeakPolarHBondContact OH-CD1 3.35Å; Y144-L187 WeakPolarHBondContact OH-CG 3.26Å; D185-L187 PolarHBondContact O-N 2.84Å; D185-L187 WeakPolarHBondContact OD1-CA 3.31Å; D185-L187 VanDerWaalsContact OD1-CB 3.31Å; D185-L187 WeakPolarHBondContact OD1-CB 3Å; D185-L187 PolarHBondContact OD1-N 3.06Å; L187-Q248 VanDerWaalsContact CD2-CA 3.46Å; L187-A249 HydrophobicContact CD2-CB 4.31Å
188	N	91.8	Very high	95	Very high	75 Å²	75	36.6 Å²	36.6	40%	0.401	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-132.8	60.2	177.9	-161.4	-11.3	0	0	0	111	D185 D190 L191 Y192	D185-N188 CarbonylContact O-C 3.56Å; D185-N188 VanDerWaalsContact O-C 3.29Å; D185-N188 PolarHBondContact O-N 3.35Å; D185-N188 PolarHBondContact OD1-N 2.91Å; N188-D190 VanDerWaalsContact C-N 3.27Å; N188-D190 PolarHBondContact O-N 3.48Å; N188-L191 HydrophobicContact CB-CB 4.23Å; N188-L191 VanDerWaalsContact CG-CB 3.46Å; N188-L191 WeakPolarHBondContact O-CB 3.44Å; N188-L191 PolarHBondContact O-N 2.95Å; N188-L191 VanDerWaalsContact O-N 3.07Å; N188-L191 WeakPolarHBondContact OD1-CB 3.48Å; N188-L191 PolarHBondContact OD1-N 3.23Å; N188-Y192 PolarHBondContact O-N 3.47Å; N188-Y192 VanDerWaalsContact O-N 3.14Å
189	D	91.1	Very high	95.2	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-37.7	-176.7	-179.9	46.6	0	0	0	112.3	H184 D185 L191 Y192 K193	H184-D189 IonicContact NE2-OD1 2.77Å; D185-D189 WeakPolarHBondContact O-CA 3.29Å; D185-D189 PolarHBondContact O-N 3.13Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3Å; D189-Y192 WeakPolarHBondContact O-CB 3.24Å; D189-Y192 PolarHBondContact O-N 3.47Å; D189-K193 WeakPolarHBondContact O-CB 3.46Å; D189-K193 WeakPolarHBondContact O-CG 3.45Å; D189-K193 PolarHBondContact O-N 2.81Å; D189-K193 WeakPolarHBondContact OD1-CE 3.08Å; D189-K193 IonicContact OD1-NZ 3.65Å; D189-K193 WeakPolarHBondContact OD2-CE 3.39Å; D189-K193 IonicContact OD2-NZ 2.73Å; D189-K193 PolarHBondContact OD2-NZ 3.21Å
190	D	94.4	Very high	95.4	Very high	122 Å²	122	36.1 Å²	36.1	65%	0.652	18%	0.181	S	C	*	.	H	α-helix	trans	-61.1	-41	176.1	-73	-24.3	0	0	0	112.5	N188 K193 Q194	N188-D190 VanDerWaalsContact C-N 3.27Å; N188-D190 PolarHBondContact O-N 3.48Å; D190-K193 PolarHBondContact O-N 3.15Å; D190-Q194 VanDerWaalsContact O-CB 3.31Å; D190-Q194 WeakPolarHBondContact O-CB 3.34Å; D190-Q194 PolarHBondContact O-N 2.86Å
191	L	94.3	Very high	95.5	Very high	58 Å²	58	38.7 Å²	38.7	30%	0.304	19%	0.194	S	C	.	.	H	α-helix	trans	-66.4	-43.3	177	-174.2	71.8	0	0	0	111.1	Y169 N188 D189 Q194 H195	Y169-L191 HydrophobicContact CD2-CB 4.42Å; Y169-L191 HydrophobicContact CD2-CD2 3.51Å; Y169-L191 HydrophobicContact CD2-CG 3.65Å; Y169-L191 HydrophobicContact CE2-CD2 4.31Å; Y169-L191 HydrophobicContact CE2-CG 4.42Å; Y169-L191 HydrophobicContact CG-CD2 4.27Å; Y169-L191 HydrophobicContact CG-CG 4.06Å; N188-L191 HydrophobicContact CB-CB 4.23Å; N188-L191 VanDerWaalsContact CG-CB 3.46Å; N188-L191 WeakPolarHBondContact O-CB 3.44Å; N188-L191 PolarHBondContact O-N 2.95Å; N188-L191 VanDerWaalsContact O-N 3.07Å; N188-L191 WeakPolarHBondContact OD1-CB 3.48Å; N188-L191 PolarHBondContact OD1-N 3.23Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3Å; L191-Q194 PolarHBondContact O-N 3.07Å; L191-H195 VanDerWaalsContact CD1-CD2 3.48Å; L191-H195 WeakPolarHBondContact CD1-CD2 3.4Å; L191-H195 WeakPolarHBondContact O-CB 3.48Å; L191-H195 PolarHBondContact O-CD2 3.36Å; L191-H195 PolarHBondContact O-N 3.01Å
192	Y	95.3	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.7	-54.9	172.4	157.3	-110.4	0	0	0	111	Y169 W183 H184 N188 D189 Q194 H195 S196 L199 A200 E205	Y169-Y192 HydrophobicContact CE1-CD2 4.11Å; Y169-Y192 WeakPolarHBondContact OH-CB 3.47Å; W183-Y192 WeakPolarHBondContact O-CD2 3.47Å; H184-Y192 HydrophobicContact CB-CD2 4.19Å; H184-Y192 HydrophobicContact CB-CE2 4.04Å; H184-Y192 AromaticContact CD2-CD1 3.29Å; H184-Y192 WeakPolarHBondContact CD2-CD1 3.39Å; H184-Y192 AromaticContact CD2-CD2 3.94Å; H184-Y192 AromaticContact CD2-CE1 3.5Å; H184-Y192 AromaticContact CD2-CG 3.53Å; H184-Y192 AromaticContact CD2-CZ 3.9Å; H184-Y192 AromaticContact CE1-CE1 3.8Å; H184-Y192 AromaticContact CG-CE1 3.93Å; H184-Y192 AromaticContact CG-CE2 3.99Å; H184-Y192 AromaticContact CG-CZ 3.87Å; H184-Y192 AromaticContact NE2-CD1 3.44Å; H184-Y192 WeakPolarHBondContact NE2-CD1 3.41Å; H184-Y192 AromaticContact NE2-CE1 3.43Å; H184-Y192 WeakPolarHBondContact NE2-CE1 3.38Å; N188-Y192 PolarHBondContact O-N 3.47Å; N188-Y192 VanDerWaalsContact O-N 3.14Å; D189-Y192 WeakPolarHBondContact O-CB 3.24Å; D189-Y192 PolarHBondContact O-N 3.47Å; Y192-Q194 VanDerWaalsContact C-N 3.28Å; Y192-Q194 PolarHBondContact O-N 3.21Å; Y192-H195 PolarHBondContact O-N 3.43Å; Y192-S196 VanDerWaalsContact O-CB 3.27Å; Y192-S196 WeakPolarHBondContact O-CB 3.32Å; Y192-S196 PolarHBondContact O-N 3.09Å; Y192-L199 HydrophobicContact CE2-CB 4.31Å; Y192-L199 HydrophobicContact CE2-CD2 4Å; Y192-L199 HydrophobicContact CE2-CG 4.4Å; Y192-L199 WeakPolarHBondContact OH-CG 3.24Å; Y192-A200 HydrophobicContact CE1-CB 4.47Å; Y192-A200 HydrophobicContact CE2-CB 4.18Å; Y192-A200 PolarHBondContact OH-N 2.94Å; Y192-E205 HydrophobicContact CE1-CG 3.88Å
193	K	96.3	Very high	95.6	Very high	55 Å²	55	38.2 Å²	38.2	24%	0.239	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-43.9	-178.3	-70.7	179	170.5	158.7	0	110.6	D189 D190 E205 R206	D189-K193 WeakPolarHBondContact O-CB 3.46Å; D189-K193 WeakPolarHBondContact O-CG 3.45Å; D189-K193 PolarHBondContact O-N 2.81Å; D189-K193 WeakPolarHBondContact OD1-CE 3.08Å; D189-K193 IonicContact OD1-NZ 3.65Å; D189-K193 WeakPolarHBondContact OD2-CE 3.39Å; D189-K193 IonicContact OD2-NZ 2.73Å; D189-K193 PolarHBondContact OD2-NZ 3.21Å; D190-K193 PolarHBondContact O-N 3.15Å; K193-E205 HydrophobicContact CB-CB 4.41Å; K193-E205 WeakPolarHBondContact CE-OE2 3.44Å; K193-E205 HydrophobicContact CG-CB 3.95Å; K193-E205 HydrophobicContact CG-CG 4.36Å; K193-R206 PolarHBondContact O-NE 2.79Å; K193-R206 PolarHBondContact O-NH2 3.23Å
194	Q	96.6	Very high	95.7	Very high	134 Å²	134	37.4 Å²	37.4	63%	0.626	19%	0.19	S	C	*	.	H	α-helix	trans	-72.8	-34.1	-176.8	-174.4	173.3	4.4	0	0	113.8	D190 L191 Y192 R206	D190-Q194 VanDerWaalsContact O-CB 3.31Å; D190-Q194 WeakPolarHBondContact O-CB 3.34Å; D190-Q194 PolarHBondContact O-N 2.86Å; L191-Q194 PolarHBondContact O-N 3.07Å; Y192-Q194 VanDerWaalsContact C-N 3.28Å; Y192-Q194 PolarHBondContact O-N 3.21Å; Q194-R206 PolarHBondContact O-NH2 2.74Å
195	H	96.8	Very high	95.8	Very high	56 Å²	56	38.3 Å²	38.3	26%	0.259	19%	0.194	S	C	.	.	H	α-helix	trans	-115.8	-18	-166.2	-70.6	-85.4	0	0	0	116.3	Y169 L191 Y192 L197	Y169-H195 HydrophobicContact CD1-CB 4.18Å; Y169-H195 HydrophobicContact CG-CB 4.24Å; L191-H195 VanDerWaalsContact CD1-CD2 3.48Å; L191-H195 WeakPolarHBondContact CD1-CD2 3.4Å; L191-H195 WeakPolarHBondContact O-CB 3.48Å; L191-H195 PolarHBondContact O-CD2 3.36Å; L191-H195 PolarHBondContact O-N 3.01Å; Y192-H195 PolarHBondContact O-N 3.43Å; H195-L197 PolarHBondContact O-N 3.19Å; H195-L197 VanDerWaalsContact O-N 3.16Å
196	S	97.6	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.			trans	-61.9	117.8	176.8	168.9	0	0	0	0	111.1	Q181 Y192 F198 L199 A200 R206	Q181-S196 PolarHBondContact O-OG 3.32Å; Q181-S196 VanDerWaalsContact O-OG 3.08Å; Y192-S196 VanDerWaalsContact O-CB 3.27Å; Y192-S196 WeakPolarHBondContact O-CB 3.32Å; Y192-S196 PolarHBondContact O-N 3.09Å; S196-F198 VanDerWaalsContact C-N 3.28Å; S196-F198 PolarHBondContact O-N 3.32Å; S196-L199 PolarHBondContact OG-N 2.94Å; S196-A200 PolarHBondContact OG-N 3.13Å; S196-R206 PolarHBondContact O-NH2 3.37Å
197	L	97.8	Very high	96.3	Very high	53 Å²	53	48 Å²	48	28%	0.277	24%	0.24	S	C	.	.	S	Bend	trans	-79.1	-10.9	-174.6	-64.9	-175.1	0	0	0	114	N86 Q174 K175 H195	N86-L197 PolarHBondContact ND2-O 3.43Å; Q174-L197 HydrophobicContact CB-CD1 3.64Å; Q174-L197 HydrophobicContact CB-CG 3.8Å; Q174-L197 HydrophobicContact CG-CG 4.3Å; K175-L197 HydrophobicContact CG-CD1 3.79Å; H195-L197 PolarHBondContact O-N 3.19Å; H195-L197 VanDerWaalsContact O-N 3.16Å
198	F	98.8	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-127.9	-65.7	-174.8	174.1	-109.8	0	0	0	112	V85 V89 Q116 F117 A120 Q181 S196 A200 D201 I202	V85-F198 HydrophobicContact CB-CD2 4.04Å; V85-F198 HydrophobicContact CB-CE2 4.35Å; V85-F198 HydrophobicContact CB-CG 4.12Å; V85-F198 HydrophobicContact CG1-CD1 4.18Å; V85-F198 HydrophobicContact CG1-CD2 3.67Å; V85-F198 HydrophobicContact CG1-CE1 4.01Å; V85-F198 HydrophobicContact CG1-CE2 3.47Å; V85-F198 VanDerWaalsContact CG1-CE2 3.47Å; V85-F198 HydrophobicContact CG1-CG 4.02Å; V85-F198 HydrophobicContact CG1-CZ 3.65Å; V89-F198 HydrophobicContact CG2-CE2 4.33Å; Q116-F198 HydrophobicContact CG-CE1 4.1Å; F117-F198 AromaticContact CD1-CE1 3.91Å; F117-F198 HydrophobicContact CD1-CE1 3.91Å; F117-F198 AromaticContact CD1-CZ 3.74Å; F117-F198 HydrophobicContact CD1-CZ 3.74Å; F117-F198 HydrophobicContact CE1-CE1 4.01Å; F117-F198 HydrophobicContact CE1-CZ 4.26Å; A120-F198 HydrophobicContact CB-CE2 3.59Å; A120-F198 HydrophobicContact CB-CZ 3.82Å; Q181-F198 HydrophobicContact CB-CB 3.72Å; S196-F198 VanDerWaalsContact C-N 3.28Å; S196-F198 PolarHBondContact O-N 3.32Å; F198-A200 PolarHBondContact O-N 3.03Å; F198-D201 WeakPolarHBondContact O-CB 3.22Å; F198-D201 PolarHBondContact O-N 2.7Å; F198-D201 VanDerWaalsContact O-N 3.12Å; F198-I202 HydrophobicContact CD1-CD1 4.36Å; F198-I202 HydrophobicContact CD2-CG2 4.45Å; F198-I202 HydrophobicContact CE1-CD1 3.67Å; F198-I202 HydrophobicContact CE2-CD1 4.03Å; F198-I202 HydrophobicContact CE2-CG2 4.19Å; F198-I202 HydrophobicContact CZ-CD1 3.48Å; F198-I202 VanDerWaalsContact CZ-CD1 3.48Å; F198-I202 PolarHBondContact O-N 2.93Å
199	L	98.8	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-43.8	-168.6	-173.8	71.5	0	0	0	112.1	G142 Q181 H184 Y192 S196 D201 I202 N203	G142-L199 VanDerWaalsContact CA-CD2 3.41Å; Q181-L199 WeakPolarHBondContact O-CB 3.3Å; Q181-L199 PolarHBondContact O-N 2.71Å; Q181-L199 VanDerWaalsContact O-N 3.1Å; H184-L199 HydrophobicContact CB-CD2 4.14Å; Y192-L199 HydrophobicContact CE2-CB 4.31Å; Y192-L199 HydrophobicContact CE2-CD2 4Å; Y192-L199 HydrophobicContact CE2-CG 4.4Å; Y192-L199 WeakPolarHBondContact OH-CG 3.24Å; S196-L199 PolarHBondContact OG-N 2.94Å; L199-D201 PolarHBondContact O-N 2.01Å; L199-I202 HydrophobicContact CD1-CD1 4.37Å; L199-I202 HydrophobicContact CD1-CG1 4.42Å; L199-I202 PolarHBondContact O-N 3.19Å; L199-N203 VanDerWaalsContact O-CB 3.29Å; L199-N203 WeakPolarHBondContact O-CB 3.49Å; L199-N203 PolarHBondContact O-N 3.48Å
200	A	98.5	Very high	97.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-29.8	176.8	0	0	0	0	0	112.9	Y192 S196 F198 Q204 E205	Y192-A200 HydrophobicContact CE1-CB 4.47Å; Y192-A200 HydrophobicContact CE2-CB 4.18Å; Y192-A200 PolarHBondContact OH-N 2.94Å; S196-A200 PolarHBondContact OG-N 3.13Å; F198-A200 PolarHBondContact O-N 3.03Å; A200-Q204 PolarHBondContact O-N 3.27Å; A200-E205 HydrophobicContact CB-CB 4.02Å; A200-E205 HydrophobicContact CB-CG 4.1Å; A200-E205 WeakPolarHBondContact O-CB 3.17Å; A200-E205 PolarHBondContact O-N 3.36Å
201	D	98.8	Very high	97.5	Very high	53 Å²	53	47 Å²	47	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-69.9	-55.2	173.9	174.9	68.1	0	0	0	110.8	R124 F198 L199 N203 Q204 Y212	R124-D201 IonicContact CZ-OD2 2.73Å; R124-D201 IonicContact NE-OD2 3.66Å; R124-D201 IonicContact NH2-OD2 3.61Å; R124-D201 PolarHBondContact NH2-OD2 3.49Å; F198-D201 WeakPolarHBondContact O-CB 3.22Å; F198-D201 PolarHBondContact O-N 2.7Å; F198-D201 VanDerWaalsContact O-N 3.12Å; L199-D201 PolarHBondContact O-N 2.01Å; D201-N203 PolarHBondContact O-N 3.16Å; D201-Q204 PolarHBondContact O-N 3.12Å; D201-Y212 VanDerWaalsContact OD2-CE2 3.3Å; D201-Y212 WeakPolarHBondContact OD2-CE2 2.96Å; D201-Y212 PolarHBondContact OD2-OH 3.18Å
202	I	98.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.9	-13.2	-176.5	68.1	169.7	0	0	0	113.3	R119 A120 Q123 F198 L199 Y212	R119-I202 PolarHBondContact NH1-O 3.39Å; A120-I202 HydrophobicContact CB-CD1 4.27Å; A120-I202 HydrophobicContact CB-CG2 3.92Å; Q123-I202 PolarHBondContact NE2-O 2.96Å; Q123-I202 PolarHBondContact OE1-O 3.4Å; F198-I202 HydrophobicContact CD1-CD1 4.36Å; F198-I202 HydrophobicContact CD2-CG2 4.45Å; F198-I202 HydrophobicContact CE1-CD1 3.67Å; F198-I202 HydrophobicContact CE2-CD1 4.03Å; F198-I202 HydrophobicContact CE2-CG2 4.19Å; F198-I202 HydrophobicContact CZ-CD1 3.48Å; F198-I202 VanDerWaalsContact CZ-CD1 3.48Å; F198-I202 PolarHBondContact O-N 2.93Å; L199-I202 HydrophobicContact CD1-CD1 4.37Å; L199-I202 HydrophobicContact CD1-CG1 4.42Å; L199-I202 PolarHBondContact O-N 3.19Å; I202-Y212 HydrophobicContact CG2-CE2 4.49Å
203	N	98.8	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	6.7	172.6	-71.2	3.7	0	0	0	113.3	R119 H140 Q141 L199 D201 E205 L260	R119-N203 PolarHBondContact NH1-OD1 2.95Å; R119-N203 VanDerWaalsContact NH1-OD1 3.12Å; R119-N203 PolarHBondContact NH2-OD1 3.4Å; H140-N203 PolarHBondContact O-ND2 3.31Å; Q141-N203 PolarHBondContact OE1-ND2 3.42Å; Q141-N203 VanDerWaalsContact OE1-ND2 3.1Å; L199-N203 VanDerWaalsContact O-CB 3.29Å; L199-N203 WeakPolarHBondContact O-CB 3.49Å; L199-N203 PolarHBondContact O-N 3.48Å; D201-N203 PolarHBondContact O-N 3.16Å; N203-E205 VanDerWaalsContact C-N 3.25Å; N203-E205 HydrophobicContact CB-CG 4.13Å; N203-E205 PolarHBondContact O-N 3.04Å; N203-L260 WeakPolarHBondContact O-CD1 3.39Å
204	Q	98.4	Very high	98	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.019	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	32.2	173.1	-44.2	-82.6	76.6	0	0	112.8	A200 D201 R206 N209 Y212 R265 L266	A200-Q204 PolarHBondContact O-N 3.27Å; D201-Q204 PolarHBondContact O-N 3.12Å; Q204-R206 VanDerWaalsContact C-N 3.34Å; Q204-R206 PolarHBondContact O-N 3.11Å; Q204-N209 PolarHBondContact NE2-O 3.24Å; Q204-Y212 VanDerWaalsContact OE1-CD2 3.29Å; Q204-R265 HydrophobicContact CB-CB 4Å; Q204-R265 HydrophobicContact CG-CB 4.34Å; Q204-R265 PolarHBondContact NE2-O 2.73Å; Q204-L266 HydrophobicContact CG-CD2 3.49Å; Q204-L266 VanDerWaalsContact CG-CD2 3.49Å; Q204-L266 HydrophobicContact CG-CG 3.75Å
205	E	97.9	Very high	98.1	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.15	23%	0.229	C	C	.	.	S	Bend	trans	-72.9	-28	-171.2	-68	-59.6	163.1	0	0	113.5	Y192 K193 A200 N203 R265	Y192-E205 HydrophobicContact CE1-CG 3.88Å; K193-E205 HydrophobicContact CB-CB 4.41Å; K193-E205 WeakPolarHBondContact CE-OE2 3.44Å; K193-E205 HydrophobicContact CG-CB 3.95Å; K193-E205 HydrophobicContact CG-CG 4.36Å; A200-E205 HydrophobicContact CB-CB 4.02Å; A200-E205 HydrophobicContact CB-CG 4.1Å; A200-E205 WeakPolarHBondContact O-CB 3.17Å; A200-E205 PolarHBondContact O-N 3.36Å; N203-E205 VanDerWaalsContact C-N 3.25Å; N203-E205 HydrophobicContact CB-CG 4.13Å; N203-E205 PolarHBondContact O-N 3.04Å; E205-R265 IonicContact OE2-NH1 2.96Å
206	R	96	Very high	98.2	Very high	122 Å²	122	44 Å²	44	46%	0.46	22%	0.217	S	C	.	.	S	Bend	trans	-96.5	-48.3	-179.5	-58.7	170.9	-164.6	170.1	5	111.9	K193 Q194 S196 Q204	K193-R206 PolarHBondContact O-NE 2.79Å; K193-R206 PolarHBondContact O-NH2 3.23Å; Q194-R206 PolarHBondContact O-NH2 2.74Å; S196-R206 PolarHBondContact O-NH2 3.37Å; Q204-R206 VanDerWaalsContact C-N 3.34Å; Q204-R206 PolarHBondContact O-N 3.11Å
207	V	96.1	Very high	98.3	Very high	112 Å²	112	46.7 Å²	46.7	68%	0.679	23%	0.23	S	C	*	.	S	Bend	trans	-147.5	139.9	-173.2	179.6	0	0	0	0	108	N209	V207-N209 PolarHBondContact O-N 3.24Å
208	V	97.9	Very high	98.3	Very high	61 Å²	61	48.5 Å²	48.5	37%	0.37	24%	0.237	S	C	.	.			trans	-75.5	107.9	172.3	-179.2	0	0	0	0	109.3	E210 R265	V208-E210 PolarHBondContact O-N 3.32Å; V208-R265 HydrophobicContact CG2-CB 4.19Å; V208-R265 HydrophobicContact CG2-CG 4.26Å
209	N	98.4	Very high	98.3	Very high	55 Å²	55	48.6 Å²	48.6	29%	0.294	24%	0.237	S	C	.	.			trans	-84.3	103.1	169.4	-172.7	-26.7	0	0	0	110.1	Q204 V207 T211 Y212 R213	Q204-N209 PolarHBondContact NE2-O 3.24Å; V207-N209 PolarHBondContact O-N 3.24Å; N209-T211 PolarHBondContact O-N 3.45Å; N209-T211 VanDerWaalsContact OD1-CB 3.27Å; N209-T211 WeakPolarHBondContact OD1-CB 3.25Å; N209-T211 PolarHBondContact OD1-N 2.87Å; N209-Y212 HydrophobicContact CB-CD1 4.44Å; N209-Y212 HydrophobicContact CB-CD2 4.02Å; N209-Y212 HydrophobicContact CB-CG 3.97Å; N209-Y212 WeakPolarHBondContact O-CB 3.5Å; N209-Y212 PolarHBondContact O-N 3.05Å; N209-Y212 VanDerWaalsContact O-N 3.09Å; N209-Y212 PolarHBondContact OD1-N 3.37Å; N209-R213 PolarHBondContact O-N 3.25Å
210	E	98.4	Very high	98.3	Very high	110 Å²	110	53.9 Å²	53.9	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-26	-179.3	-70.1	-60.8	159.5	0	0	113.5	V208 R213 K214	V208-E210 PolarHBondContact O-N 3.32Å; E210-R213 IonicContact OE2-NH1 3.85Å; E210-K214 VanDerWaalsContact O-CB 3.26Å; E210-K214 WeakPolarHBondContact O-CB 2.77Å; E210-K214 PolarHBondContact O-N 3.29Å
211	T	98.4	Very high	98.3	Very high	82 Å²	82	57.2 Å²	57.2	50%	0.503	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-43.9	175.4	-58.3	0	0	0	0	110.7	N209 K214 N215	N209-T211 PolarHBondContact O-N 3.45Å; N209-T211 VanDerWaalsContact OD1-CB 3.27Å; N209-T211 WeakPolarHBondContact OD1-CB 3.25Å; N209-T211 PolarHBondContact OD1-N 2.87Å; T211-K214 PolarHBondContact O-N 2.92Å; T211-N215 WeakPolarHBondContact CG2-ND2 3.47Å; T211-N215 VanDerWaalsContact O-CB 3.29Å; T211-N215 WeakPolarHBondContact O-CB 3.49Å; T211-N215 PolarHBondContact O-N 3.45Å; T211-N215 PolarHBondContact O-ND2 2.86Å; T211-N215 PolarHBondContact O-OD1 3.05Å
212	Y	98.8	Very high	98.3	Very high	25 Å²	25	54.7 Å²	54.7	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-47.5	177.4	-74	6.5	0	0	0	111.4	Q123 R124 D201 I202 Q204 N209 N215 L216	Q123-Y212 HydrophobicContact CB-CD1 4.01Å; Q123-Y212 HydrophobicContact CB-CD2 4.38Å; Q123-Y212 HydrophobicContact CB-CG 3.88Å; Q123-Y212 HydrophobicContact CG-CG 4.45Å; Q123-Y212 VanDerWaalsContact NE2-CD2 3.34Å; Q123-Y212 WeakPolarHBondContact O-CD1 3.49Å; R124-Y212 HydrophobicContact CB-CE1 4.47Å; R124-Y212 HydrophobicContact CG-CD1 4.44Å; R124-Y212 HydrophobicContact CG-CE1 3.55Å; R124-Y212 PolarHBondContact NE-OH 3.45Å; R124-Y212 VanDerWaalsContact NE-OH 3.1Å; D201-Y212 VanDerWaalsContact OD2-CE2 3.3Å; D201-Y212 WeakPolarHBondContact OD2-CE2 2.96Å; D201-Y212 PolarHBondContact OD2-OH 3.18Å; I202-Y212 HydrophobicContact CG2-CE2 4.49Å; Q204-Y212 VanDerWaalsContact OE1-CD2 3.29Å; N209-Y212 HydrophobicContact CB-CD1 4.44Å; N209-Y212 HydrophobicContact CB-CD2 4.02Å; N209-Y212 HydrophobicContact CB-CG 3.97Å; N209-Y212 WeakPolarHBondContact O-CB 3.5Å; N209-Y212 PolarHBondContact O-N 3.05Å; N209-Y212 VanDerWaalsContact O-N 3.09Å; N209-Y212 PolarHBondContact OD1-N 3.37Å; Y212-N215 PolarHBondContact O-N 3.26Å; Y212-L216 WeakPolarHBondContact O-CB 3.45Å; Y212-L216 PolarHBondContact O-N 3.09Å
213	R	98.6	Very high	98.3	Very high	64 Å²	64	54.7 Å²	54.7	24%	0.242	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-52.8	176.6	177.3	172.7	-173.6	-160.3	7.5	111.3	N209 E210 N215 L216 Q217 D264	N209-R213 PolarHBondContact O-N 3.25Å; E210-R213 IonicContact OE2-NH1 3.85Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 2.87Å; R213-L216 PolarHBondContact O-N 3.02Å; R213-Q217 VanDerWaalsContact O-CG 3.3Å; R213-Q217 WeakPolarHBondContact O-CG 3.46Å; R213-Q217 PolarHBondContact O-N 2.91Å; R213-Q217 VanDerWaalsContact O-N 3.13Å; R213-D264 IonicContact CZ-OD2 3.8Å; R213-D264 PolarHBondContact NE-O 2.74Å; R213-D264 IonicContact NE-OD2 3.56Å; R213-D264 IonicContact NH2-OD2 2.66Å; R213-D264 PolarHBondContact NH2-OD2 2.75Å
214	K	98.7	Very high	98.3	Very high	137 Å²	137	54.7 Å²	54.7	60%	0.596	26%	0.263	S	S	*	.	H	α-helix	trans	-59.8	-41.8	179.8	-178.9	-177.7	175.6	-175.5	0	112.1	E210 T211 Q218	E210-K214 VanDerWaalsContact O-CB 3.26Å; E210-K214 WeakPolarHBondContact O-CB 2.77Å; E210-K214 PolarHBondContact O-N 3.29Å; T211-K214 PolarHBondContact O-N 2.92Å; K214-Q218 WeakPolarHBondContact O-CG 3.45Å; K214-Q218 PolarHBondContact O-N 2.89Å; K214-Q218 PolarHBondContact O-NE2 3.33Å
215	N	98.8	Very high	98.4	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-71.6	-42.7	-177.2	-67.3	-16.5	0	0	0	111.8	A122 Q123 P126 T211 Y212 R213 Q217 Q218	A122-N215 VanDerWaalsContact O-CB 3.24Å; A122-N215 WeakPolarHBondContact O-CB 3.49Å; Q123-N215 PolarHBondContact O-ND2 3.21Å; P126-N215 HydrophobicContact CB-CB 4.24Å; T211-N215 WeakPolarHBondContact CG2-ND2 3.47Å; T211-N215 VanDerWaalsContact O-CB 3.29Å; T211-N215 WeakPolarHBondContact O-CB 3.49Å; T211-N215 PolarHBondContact O-N 3.45Å; T211-N215 PolarHBondContact O-ND2 2.86Å; T211-N215 PolarHBondContact O-OD1 3.05Å; Y212-N215 PolarHBondContact O-N 3.26Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 2.87Å; N215-Q217 VanDerWaalsContact C-N 3.26Å; N215-Q217 PolarHBondContact O-N 3.37Å; N215-Q218 VanDerWaalsContact O-CB 3.3Å; N215-Q218 WeakPolarHBondContact O-CB 3.19Å; N215-Q218 PolarHBondContact O-N 3.26Å; N215-Q218 PolarHBondContact OD1-NE2 2.9Å
216	L	98.9	Very high	98.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-38.5	176.5	-168.8	66.7	0	0	0	111.5	R119 A122 Q123 Y212 R213 Q218 L219 L266 L268 M271	R119-L216 HydrophobicContact CG-CD1 4.06Å; A122-L216 HydrophobicContact CB-CD1 4.48Å; Q123-L216 HydrophobicContact CG-CB 4.16Å; Q123-L216 HydrophobicContact CG-CD1 4.32Å; Y212-L216 WeakPolarHBondContact O-CB 3.45Å; Y212-L216 PolarHBondContact O-N 3.09Å; R213-L216 PolarHBondContact O-N 3.02Å; L216-Q218 PolarHBondContact O-N 3.22Å; L216-L219 HydrophobicContact CD1-CD1 3.75Å; L216-L219 WeakPolarHBondContact O-CB 3.43Å; L216-L219 WeakPolarHBondContact O-CG 3.36Å; L216-L219 PolarHBondContact O-N 2.89Å; L216-L266 HydrophobicContact CD2-CB 4.26Å; L216-L266 HydrophobicContact CD2-CD2 4.43Å; L216-L268 HydrophobicContact CD2-CD2 3.99Å; L216-M271 HydrophobicContact CD2-SD 4.45Å; L216-M271 HydrophobicContact CG-SD 4.07Å; L216-M271 WeakPolarHBondContact O-CE 3.47Å
217	Q	98.6	Very high	98.5	Very high	58 Å²	58	48.4 Å²	48.4	27%	0.271	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.6	176.6	-72.8	-178.3	-35.5	0	0	114.5	R213 N215 L219 G267 M271 K276	R213-Q217 VanDerWaalsContact O-CG 3.3Å; R213-Q217 WeakPolarHBondContact O-CG 3.46Å; R213-Q217 PolarHBondContact O-N 2.91Å; R213-Q217 VanDerWaalsContact O-N 3.13Å; N215-Q217 VanDerWaalsContact C-N 3.26Å; N215-Q217 PolarHBondContact O-N 3.37Å; Q217-L219 VanDerWaalsContact C-N 3.28Å; Q217-G267 VanDerWaalsContact NE2-CA 3.3Å; Q217-G267 PolarHBondContact NE2-O 2.93Å; Q217-M271 HydrophobicContact CG-CG 4Å; Q217-M271 HydrophobicContact CG-SD 4.2Å; Q217-K276 PolarHBondContact O-NZ 3.32Å
218	Q	98.4	Very high	98.6	Very high	90 Å²	90	47.6 Å²	47.6	42%	0.421	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.7	174.7	-68.8	167.2	36.7	0	0	112.5	K214 N215 L216 Q220	K214-Q218 WeakPolarHBondContact O-CG 3.45Å; K214-Q218 PolarHBondContact O-N 2.89Å; K214-Q218 PolarHBondContact O-NE2 3.33Å; N215-Q218 VanDerWaalsContact O-CB 3.3Å; N215-Q218 WeakPolarHBondContact O-CB 3.19Å; N215-Q218 PolarHBondContact O-N 3.26Å; N215-Q218 PolarHBondContact OD1-NE2 2.9Å; L216-Q218 PolarHBondContact O-N 3.22Å; Q218-Q220 PolarHBondContact O-N 3.43Å
219	L	98.8	Very high	98.6	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	24%	0.238	C	C	.	.			trans	-54.4	137.2	173.8	-65.6	176.2	0	0	0	110.3	M130 R131 L133 L216 Q217 F222 M271 K276	M130-L219 HydrophobicContact CB-CD2 3.94Å; M130-L219 HydrophobicContact CG-CD2 3.7Å; M130-L219 HydrophobicContact SD-CD2 3.81Å; R131-L219 CarbonylContact O-C 3.42Å; R131-L219 WeakPolarHBondContact O-CA 3.36Å; L133-L219 HydrophobicContact CB-CD1 3.93Å; L133-L219 HydrophobicContact CB-CD2 4.29Å; L133-L219 HydrophobicContact CD2-CD1 4.37Å; L216-L219 HydrophobicContact CD1-CD1 3.75Å; L216-L219 WeakPolarHBondContact O-CB 3.43Å; L216-L219 WeakPolarHBondContact O-CG 3.36Å; L216-L219 PolarHBondContact O-N 2.89Å; Q217-L219 VanDerWaalsContact C-N 3.28Å; L219-F222 HydrophobicContact CD1-CB 4.21Å; L219-F222 HydrophobicContact CD1-CG 4.45Å; L219-M271 HydrophobicContact CB-CE 4.14Å; L219-M271 HydrophobicContact CD1-CE 4.45Å; L219-K276 WeakPolarHBondContact O-CD 3.36Å; L219-K276 WeakPolarHBondContact O-CE 3.46Å; L219-K276 PolarHBondContact O-NZ 2.81Å
220	Q	98.6	Very high	98.4	Very high	112 Å²	112	48.3 Å²	48.3	52%	0.523	23%	0.228	S	C	.	.	S	Bend	trans	-75.2	-43.3	171.5	-62.9	-179.7	-10.2	0	0	110.1	R131 Q218	R131-Q220 PolarHBondContact O-N 3.1Å; Q218-Q220 PolarHBondContact O-N 3.43Å
221	K	98.8	Very high	98.1	Very high	70 Å²	70	45.8 Å²	45.8	30%	0.304	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.1	175.7	-67.7	-66.7	179.4	173.7	0	110.7	T132 L133 V223 H275 K276 V278 F301	T132-K221 WeakPolarHBondContact CA-O 3.27Å; T132-K221 HydrophobicContact CG2-CB 3.85Å; L133-K221 PolarHBondContact N-O 3.16Å; K221-V223 HydrophobicContact CB-CG2 4.36Å; K221-H275 PolarHBondContact NZ-O 3.06Å; K221-K276 CarbonylContact C-O 3.57Å; K221-K276 WeakPolarHBondContact CA-O 3.49Å; K221-V278 HydrophobicContact CD-CG2 4.02Å; K221-F301 HydrophobicContact CB-CD1 4.45Å; K221-F301 HydrophobicContact CD-CE1 4.5Å; K221-F301 HydrophobicContact CG-CD1 4.22Å; K221-F301 HydrophobicContact CG-CE1 4.38Å
222	F	98.9	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	100.2	167.3	-177.3	-166.6	0	0	0	107.6	L133 H140 L219 M224 F241 L268 M271 K276 L277 V278	L133-F222 HydrophobicContact CB-CD2 4.04Å; L133-F222 HydrophobicContact CD2-CD2 3.82Å; L133-F222 HydrophobicContact CD2-CE2 3.61Å; L133-F222 HydrophobicContact CD2-CZ 4.2Å; L133-F222 HydrophobicContact CG-CD2 3.87Å; L133-F222 HydrophobicContact CG-CE2 3.94Å; L133-F222 CarbonylContact O-C 3.39Å; L133-F222 WeakPolarHBondContact O-CA 3.44Å; H140-F222 AromaticContact CD2-CZ 3.93Å; H140-F222 AromaticContact CE1-CZ 3.72Å; H140-F222 AromaticContact NE2-CE2 3.63Å; H140-F222 AromaticContact NE2-CZ 3.44Å; H140-F222 WeakPolarHBondContact NE2-CZ 3.43Å; L219-F222 HydrophobicContact CD1-CB 4.21Å; L219-F222 HydrophobicContact CD1-CG 4.45Å; F222-M224 HydrophobicContact CD2-CG 4.21Å; F222-M224 HydrophobicContact CE1-SD 4.29Å; F222-M224 HydrophobicContact CE2-CG 3.79Å; F222-M224 HydrophobicContact CE2-SD 4.42Å; F222-M224 HydrophobicContact CZ-CG 4.04Å; F222-M224 HydrophobicContact CZ-SD 4.09Å; F222-F241 HydrophobicContact CE1-CD2 4.23Å; F222-F241 AromaticContact CE1-CE2 3.87Å; F222-F241 HydrophobicContact CE1-CE2 3.87Å; F222-F241 HydrophobicContact CZ-CD2 4.42Å; F222-F241 HydrophobicContact CZ-CE2 4.15Å; F222-L268 HydrophobicContact CE1-CD2 4.47Å; F222-M271 HydrophobicContact CB-CE 4.13Å; F222-K276 PolarHBondContact N-O 3.37Å; F222-L277 HydrophobicContact CB-CD2 3.92Å; F222-L277 HydrophobicContact CD1-CD2 3.81Å; F222-L277 HydrophobicContact CG-CD2 4.27Å; F222-L277 WeakPolarHBondContact O-CA 3.36Å; F222-V278 PolarHBondContact O-N 3.47Å
223	V	98.9	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.8	-177.1	-173.7	0	0	0	0	108.6	L133 I134 S135 K221 V278 L280 L298 F301	L133-V223 PolarHBondContact O-N 2.03Å; I134-V223 HydrophobicContact CB-CB 4.44Å; I134-V223 HydrophobicContact CG1-CB 4.17Å; I134-V223 HydrophobicContact CG1-CG2 4.26Å; I134-V223 HydrophobicContact CG2-CB 4.27Å; I134-V223 HydrophobicContact CG2-CG1 4.37Å; S135-V223 PolarHBondContact N-O 2.97Å; K221-V223 HydrophobicContact CB-CG2 4.36Å; V223-V278 CarbonylContact C-O 3.58Å; V223-V278 WeakPolarHBondContact CA-O 3.5Å; V223-V278 HydrophobicContact CB-CB 4.41Å; V223-V278 HydrophobicContact CG1-CB 4.32Å; V223-V278 HydrophobicContact CG1-CG1 4.35Å; V223-V278 HydrophobicContact CG2-CB 4.13Å; V223-V278 HydrophobicContact CG2-CG2 4.42Å; V223-L280 HydrophobicContact CG1-CD1 3.65Å; V223-L280 HydrophobicContact CG1-CG 4.13Å; V223-L298 HydrophobicContact CG1-CD2 4.31Å; V223-F301 HydrophobicContact CG1-CE2 4.25Å; V223-F301 HydrophobicContact CG2-CD1 3.84Å; V223-F301 HydrophobicContact CG2-CD2 3.93Å; V223-F301 HydrophobicContact CG2-CE1 3.94Å; V223-F301 HydrophobicContact CG2-CE2 4.01Å; V223-F301 HydrophobicContact CG2-CG 3.85Å; V223-F301 HydrophobicContact CG2-CZ 4.03Å
224	M	98.9	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.2	179.2	-69.6	171.8	-79	0	0	108.8	F222 E239 W240 F241 L277 V278 F279 L280	F222-M224 HydrophobicContact CD2-CG 4.21Å; F222-M224 HydrophobicContact CE1-SD 4.29Å; F222-M224 HydrophobicContact CE2-CG 3.79Å; F222-M224 HydrophobicContact CE2-SD 4.42Å; F222-M224 HydrophobicContact CZ-CG 4.04Å; F222-M224 HydrophobicContact CZ-SD 4.09Å; M224-E239 WeakPolarHBondContact CB-O 3.44Å; M224-W240 PolarHBondContact O-NE1 3.35Å; M224-F241 HydrophobicContact SD-CB 4.36Å; M224-F241 HydrophobicContact SD-CD2 3.95Å; M224-L277 HydrophobicContact CE-CB 4.27Å; M224-L277 HydrophobicContact CE-CD1 4.49Å; M224-L277 HydrophobicContact CE-CD2 4.41Å; M224-V278 PolarHBondContact N-O 3.04Å; M224-F279 HydrophobicContact CE-CD1 3.78Å; M224-F279 HydrophobicContact CE-CE1 3.22Å; M224-F279 HydrophobicContact CE-CE2 4.39Å; M224-F279 HydrophobicContact CE-CZ 3.58Å; M224-F279 HydrophobicContact SD-CE1 4.16Å; M224-L280 PolarHBondContact O-N 3.49Å
225	V	98.9	Very high	97	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.4	178.6	-175.4	0	0	0	0	109	S135 V136 G137 F227 L280 T282 W293 L298	S135-V225 PolarHBondContact O-N 3.48Å; V136-V225 HydrophobicContact CG2-CG2 4.48Å; G137-V225 WeakPolarHBondContact CA-O 3.29Å; G137-V225 PolarHBondContact N-O 3.15Å; V225-F227 HydrophobicContact CG1-CE2 4.46Å; V225-F227 HydrophobicContact CG1-CZ 4.39Å; V225-L280 CarbonylContact C-O 3.42Å; V225-L280 VanDerWaalsContact CA-O 3.3Å; V225-L280 WeakPolarHBondContact CA-O 3.44Å; V225-L280 HydrophobicContact CG2-CB 4.35Å; V225-T282 HydrophobicContact CG1-CG2 4.39Å; V225-W293 HydrophobicContact CB-CH2 4.41Å; V225-W293 HydrophobicContact CG1-CH2 3.48Å; V225-W293 VanDerWaalsContact CG1-CH2 3.48Å; V225-W293 HydrophobicContact CG1-CZ2 4.2Å; V225-W293 HydrophobicContact CG1-CZ3 4.19Å; V225-W293 HydrophobicContact CG2-CH2 4.02Å; V225-L298 HydrophobicContact CG2-CD1 4.43Å; V225-L298 HydrophobicContact CG2-CD2 3.84Å
226	K	98.8	Very high	96.9	Very high	26 Å²	26	37.6 Å²	37.6	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.5	174.7	-175.1	174.1	-175.3	-178.3	0	111.7	V236 D237 E239 W240 L280 S281 T282	K226-V236 HydrophobicContact CD-CG1 4.36Å; K226-V236 VanDerWaalsContact CE-CG1 3.45Å; K226-V236 WeakPolarHBondContact CE-O 3.47Å; K226-V236 HydrophobicContact CG-CG1 3.99Å; K226-D237 IonicContact NZ-OD1 3.84Å; K226-D237 PolarHBondContact NZ-OD1 2.92Å; K226-E239 WeakPolarHBondContact CA-OE2 3.42Å; K226-E239 HydrophobicContact CB-CB 4.11Å; K226-E239 HydrophobicContact CG-CB 4.1Å; K226-W240 HydrophobicContact CB-CD2 3.95Å; K226-W240 HydrophobicContact CB-CG 4.07Å; K226-W240 HydrophobicContact CB-CZ2 4.1Å; K226-W240 HydrophobicContact CD-CD2 3.9Å; K226-W240 HydrophobicContact CD-CE3 3.96Å; K226-W240 HydrophobicContact CD-CG 4.22Å; K226-W240 HydrophobicContact CD-CZ3 4.41Å; K226-L280 PolarHBondContact N-O 3.45Å; K226-S281 CarbonylContact O-C 3.57Å; K226-S281 WeakPolarHBondContact O-CA 3.35Å; K226-T282 PolarHBondContact O-N 2.92Å
227	F	98.6	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.3	172.1	-65.7	-85.7	0	0	0	109.8	V136 V225 Q229 D230 V236 E239 T282 D285 L287 Q288 F289	V136-F227 HydrophobicContact CG1-CE2 3.96Å; V136-F227 HydrophobicContact CG1-CZ 3.75Å; V225-F227 HydrophobicContact CG1-CE2 4.46Å; V225-F227 HydrophobicContact CG1-CZ 4.39Å; F227-Q229 VanDerWaalsContact C-N 3.26Å; F227-Q229 PolarHBondContact O-N 3.44Å; F227-D230 HydrophobicContact CB-CB 3.95Å; F227-D230 PolarHBondContact O-N 3.22Å; F227-V236 VanDerWaalsContact O-CG1 3.23Å; F227-V236 WeakPolarHBondContact O-CG1 3.3Å; F227-E239 WeakPolarHBondContact CD2-OE2 3.29Å; F227-E239 PolarHBondContact N-OE2 3.06Å; F227-T282 HydrophobicContact CD1-CG2 3.36Å; F227-T282 HydrophobicContact CE1-CG2 3.36Å; F227-T282 HydrophobicContact CG-CG2 4.24Å; F227-T282 HydrophobicContact CZ-CG2 4.24Å; F227-D285 WeakPolarHBondContact CD1-O 3.38Å; F227-L287 HydrophobicContact CE2-CD2 3.95Å; F227-L287 HydrophobicContact CZ-CD2 4.22Å; F227-Q288 WeakPolarHBondContact CE1-O 3.32Å; F227-F289 HydrophobicContact CE1-CB 4.43Å; F227-F289 AromaticContact CE1-CD1 3.92Å; F227-F289 HydrophobicContact CE1-CD1 3.92Å; F227-F289 AromaticContact CZ-CD1 3.85Å; F227-F289 HydrophobicContact CZ-CD1 3.85Å; F227-F289 HydrophobicContact CZ-CE1 4.45Å
228	L	97.8	Very high	96.8	Very high	94 Å²	94	36.9 Å²	36.9	49%	0.492	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.7	-170.9	-65.3	179.6	0	0	0	114	T282	L228-T282 WeakPolarHBondContact CG-O 3.32Å; L228-T282 PolarHBondContact N-O 3.5Å
229	Q	96.8	Very high	96.8	Very high	119 Å²	119	32.6 Å²	32.6	56%	0.556	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.3	27.3	-179.9	-56.5	170.5	40	0	0	110.9	F227 T231 G284	F227-Q229 VanDerWaalsContact C-N 3.26Å; F227-Q229 PolarHBondContact O-N 3.44Å; Q229-T231 WeakPolarHBondContact O-CG2 3.34Å; Q229-T231 PolarHBondContact O-N 3.17Å; Q229-G284 CarbonylContact C-O 3.51Å; Q229-G284 WeakPolarHBondContact CA-O 3.25Å; Q229-G284 WeakPolarHBondContact CB-O 3.24Å; Q229-G284 PolarHBondContact N-O 3.4Å; Q229-G284 VanDerWaalsContact N-O 3.1Å
230	D	95.1	Very high	96.8	Very high	13 Å²	13	36 Å²	36	7%	0.07	18%	0.179	C	C	.	.			trans	-60.5	122	-178.3	-155.6	-58.3	0	0	0	111.3	F227 V232 V233 V236 E239 H286	F227-D230 HydrophobicContact CB-CB 3.95Å; F227-D230 PolarHBondContact O-N 3.22Å; D230-V232 WeakPolarHBondContact OD1-CA 3.2Å; D230-V232 PolarHBondContact OD1-N 2.86Å; D230-V233 PolarHBondContact OD1-N 3.48Å; D230-V236 HydrophobicContact CB-CG1 3.85Å; D230-V236 HydrophobicContact CB-CG2 4.03Å; D230-E239 VanDerWaalsContact OD2-OE1 3.06Å; D230-H286 IonicContact OD1-CG 3.65Å; D230-H286 IonicContact OD1-ND1 2.74Å; D230-H286 VanDerWaalsContact OD2-CA 3.23Å; D230-H286 WeakPolarHBondContact OD2-CA 3.43Å; D230-H286 VanDerWaalsContact OD2-CB 3.28Å; D230-H286 WeakPolarHBondContact OD2-CB 3.22Å; D230-H286 IonicContact OD2-CE1 3.11Å; D230-H286 IonicContact OD2-CG 3.19Å; D230-H286 VanDerWaalsContact OD2-CG 3.32Å; D230-H286 IonicContact OD2-ND1 2.79Å; D230-H286 PolarHBondContact OD2-ND1 3.15Å
231	T	91.4	Very high	96.8	Very high	57 Å²	57	30.7 Å²	30.7	35%	0.35	16%	0.155	S	C	.	.	S	Bend	trans	-110	10.6	176.4	71.9	0	0	0	0	112.9	P147 Q229 D285	P147-T231 WeakPolarHBondContact CB-O 3.36Å; P147-T231 VanDerWaalsContact CG-O 3.32Å; P147-T231 WeakPolarHBondContact CG-O 3.35Å; Q229-T231 WeakPolarHBondContact O-CG2 3.34Å; Q229-T231 PolarHBondContact O-N 3.17Å; T231-D285 PolarHBondContact N-OD1 3.39Å; T231-D285 PolarHBondContact OG1-OD1 3.23Å; T231-D285 PolarHBondContact OG1-OD2 2.94Å
232	V	90.7	Very high	96.8	Very high	32 Å²	32	27.5 Å²	27.5	19%	0.194	14%	0.142	C	C	.	.	S	Bend	trans	-111.4	-35.8	-179.8	-176.9	0	0	0	0	111.3	P147 D230 H286	P147-V232 WeakPolarHBondContact CD-O 3.49Å; P147-V232 WeakPolarHBondContact CG-O 3.39Å; D230-V232 WeakPolarHBondContact OD1-CA 3.2Å; D230-V232 PolarHBondContact OD1-N 2.86Å; V232-H286 HydrophobicContact CB-CB 3.72Å; V232-H286 HydrophobicContact CG2-CB 3.51Å
233	V	94	Very high	96.8	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	14%	0.143	C	C	.	.	S	Bend	trans	-98.5	121.7	-177.8	179.7	0	0	0	0	110.5	Q139 V143 D230 V236 T238 E239 H286	Q139-V233 HydrophobicContact CG-CG1 3.71Å; Q139-V233 HydrophobicContact CG-CG2 3.96Å; V143-V233 HydrophobicContact CG1-CG1 4.36Å; D230-V233 PolarHBondContact OD1-N 3.48Å; V233-V236 WeakPolarHBondContact O-CG2 3.48Å; V233-V236 PolarHBondContact O-N 3.21Å; V233-T238 HydrophobicContact CG1-CG2 3.17Å; V233-E239 WeakPolarHBondContact CB-OE1 3.29Å; V233-E239 HydrophobicContact CG1-CG 4.22Å; V233-H286 VanDerWaalsContact CG2-CE1 3.4Å; V233-H286 WeakPolarHBondContact CG2-CE1 3.37Å
234	D	91.6	Very high	96.5	Very high	69 Å²	69	28.4 Å²	28.4	37%	0.369	15%	0.146	S	C	.	.	S	Bend	trans	-131	116.4	178.7	-174.5	8.5	0	0	0	111	V143 Y144 P147	V143-D234 CarbonylContact C-O 3.51Å; V143-D234 VanDerWaalsContact CA-O 3.3Å; V143-D234 WeakPolarHBondContact CA-O 3.02Å; V143-D234 WeakPolarHBondContact CB-O 3.06Å; Y144-D234 PolarHBondContact N-O 3.38Å; P147-D234 HydrophobicContact CG-CB 4.03Å
235	P	94.8	Very high	96.2	Very high	6 Å²	6	32 Å²	32	4%	0.039	16%	0.162	C	C	.	.	S	Bend	cis	-78.6	146.3	-3.1	34.4	-38.1	0	0	0	112.3	D237 T238 F243 L244 T252	P235-D237 PolarHBondContact O-N 3.32Å; P235-T238 WeakPolarHBondContact O-CB 3.35Å; P235-T238 WeakPolarHBondContact O-CG2 3.49Å; P235-T238 PolarHBondContact O-N 2.92Å; P235-T238 VanDerWaalsContact O-N 3.1Å; P235-F243 VanDerWaalsContact CD-CE2 3.45Å; P235-F243 HydrophobicContact CG-CD2 3.66Å; P235-F243 HydrophobicContact CG-CE2 3.82Å; P235-F243 HydrophobicContact CG-CG 4.41Å; P235-L244 HydrophobicContact CB-CG 4.42Å; P235-L244 HydrophobicContact CG-CG 4.05Å; P235-T252 HydrophobicContact CB-CG2 3.96Å
236	V	96.8	Very high	95.8	Very high	35 Å²	35	35.4 Å²	35.4	21%	0.212	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26.4	176	-168	0	0	0	0	112.6	K226 F227 D230 V233 T238 E239	K226-V236 HydrophobicContact CD-CG1 4.36Å; K226-V236 VanDerWaalsContact CE-CG1 3.45Å; K226-V236 WeakPolarHBondContact CE-O 3.47Å; K226-V236 HydrophobicContact CG-CG1 3.99Å; F227-V236 VanDerWaalsContact O-CG1 3.23Å; F227-V236 WeakPolarHBondContact O-CG1 3.3Å; D230-V236 HydrophobicContact CB-CG1 3.85Å; D230-V236 HydrophobicContact CB-CG2 4.03Å; V233-V236 WeakPolarHBondContact O-CG2 3.48Å; V233-V236 PolarHBondContact O-N 3.21Å; V236-T238 PolarHBondContact O-N 3.02Å; V236-T238 VanDerWaalsContact O-N 3.11Å; V236-E239 WeakPolarHBondContact O-CB 3.31Å; V236-E239 PolarHBondContact O-N 2.85Å; V236-E239 VanDerWaalsContact O-N 3.12Å
237	D	97.8	Very high	95.2	Very high	43 Å²	43	37 Å²	37	23%	0.23	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-59.3	-21.8	177.8	-66.3	-66.7	0	0	0	114.2	K226 P235 E239 W240 F241 G242 T252	K226-D237 IonicContact NZ-OD1 3.84Å; K226-D237 PolarHBondContact NZ-OD1 2.92Å; P235-D237 PolarHBondContact O-N 3.32Å; D237-E239 PolarHBondContact O-N 3.45Å; D237-W240 CarbonylContact O-C 3.46Å; D237-W240 PolarHBondContact O-N 3.15Å; D237-F241 PolarHBondContact O-N 3.33Å; D237-G242 CarbonylContact C-O 3.55Å; D237-G242 WeakPolarHBondContact O-CA 3.35Å; D237-G242 PolarHBondContact O-N 2.9Å; D237-T252 HydrophobicContact CB-CG2 4.49Å; D237-T252 WeakPolarHBondContact OD2-CG2 3.47Å; D237-T252 PolarHBondContact OD2-OG1 3.16Å
238	T	98.4	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61.4	-24.2	175.1	-165.7	0	0	0	0	113.4	Q139 H140 Q141 G142 V233 P235 V236 W240 F241 G242	Q139-T238 HydrophobicContact CB-CG2 3.75Å; Q139-T238 HydrophobicContact CG-CG2 3.93Å; H140-T238 PolarHBondContact N-O 3.24Å; H140-T238 VanDerWaalsContact N-O 3.14Å; H140-T238 PolarHBondContact N-OG1 3.1Å; Q141-T238 WeakPolarHBondContact CA-OG1 3.44Å; Q141-T238 PolarHBondContact N-OG1 2.98Å; G142-T238 PolarHBondContact N-OG1 3.33Å; G142-T238 WeakPolarHBondContact O-CB 3.36Å; G142-T238 WeakPolarHBondContact O-CG2 3.36Å; G142-T238 PolarHBondContact O-OG1 3.28Å; V233-T238 HydrophobicContact CG1-CG2 3.17Å; P235-T238 WeakPolarHBondContact O-CB 3.35Å; P235-T238 WeakPolarHBondContact O-CG2 3.49Å; P235-T238 PolarHBondContact O-N 2.92Å; P235-T238 VanDerWaalsContact O-N 3.1Å; V236-T238 PolarHBondContact O-N 3.02Å; V236-T238 VanDerWaalsContact O-N 3.11Å; T238-W240 PolarHBondContact O-N 3.22Å; T238-F241 PolarHBondContact O-N 2.81Å; T238-G242 WeakPolarHBondContact CA-O 3.46Å; T238-G242 PolarHBondContact N-O 2.95Å
239	E	98.8	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-65.2	-25.5	175	-64.8	175.5	-143.9	0	0	112.7	G138 M224 K226 F227 D230 V233 V236 D237	G138-E239 VanDerWaalsContact O-CA 3.29Å; G138-E239 WeakPolarHBondContact O-CA 3.45Å; M224-E239 WeakPolarHBondContact CB-O 3.44Å; K226-E239 WeakPolarHBondContact CA-OE2 3.42Å; K226-E239 HydrophobicContact CB-CB 4.11Å; K226-E239 HydrophobicContact CG-CB 4.1Å; F227-E239 WeakPolarHBondContact CD2-OE2 3.29Å; F227-E239 PolarHBondContact N-OE2 3.06Å; D230-E239 VanDerWaalsContact OD2-OE1 3.06Å; V233-E239 WeakPolarHBondContact CB-OE1 3.29Å; V233-E239 HydrophobicContact CG1-CG 4.22Å; V236-E239 WeakPolarHBondContact O-CB 3.31Å; V236-E239 PolarHBondContact O-N 2.85Å; V236-E239 VanDerWaalsContact O-N 3.12Å; D237-E239 PolarHBondContact O-N 3.45Å
240	W	98.9	Very high	93.3	Very high	74 Å²	74	40.4 Å²	40.4	28%	0.28	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-111.8	27.5	171.9	-77.9	-4.7	0	0	0	112.4	M224 K226 D237 T238 G242 F279 L280	M224-W240 PolarHBondContact O-NE1 3.35Å; K226-W240 HydrophobicContact CB-CD2 3.95Å; K226-W240 HydrophobicContact CB-CG 4.07Å; K226-W240 HydrophobicContact CB-CZ2 4.1Å; K226-W240 HydrophobicContact CD-CD2 3.9Å; K226-W240 HydrophobicContact CD-CE3 3.96Å; K226-W240 HydrophobicContact CD-CG 4.22Å; K226-W240 HydrophobicContact CD-CZ3 4.41Å; D237-W240 CarbonylContact O-C 3.46Å; D237-W240 PolarHBondContact O-N 3.15Å; T238-W240 PolarHBondContact O-N 3.22Å; W240-G242 PolarHBondContact O-N 3Å; W240-G242 VanDerWaalsContact O-N 3.12Å; W240-F279 HydrophobicContact CB-CD1 3.93Å; W240-F279 HydrophobicContact CB-CE1 4.22Å; W240-F279 AromaticContact CD1-CD1 3.79Å; W240-F279 HydrophobicContact CD2-CB 4.11Å; W240-F279 AromaticContact CD2-CD1 3.92Å; W240-F279 HydrophobicContact CD2-CD1 3.92Å; W240-F279 HydrophobicContact CD2-CG 4.47Å; W240-F279 AromaticContact CG-CD1 3.63Å; W240-F279 HydrophobicContact CG-CD1 3.63Å; W240-F279 HydrophobicContact CG-CE1 4.38Å; W240-F279 HydrophobicContact CH2-CB 4.42Å; W240-F279 HydrophobicContact CZ2-CB 3.86Å; W240-L280 VanDerWaalsContact CZ2-O 3.25Å; W240-L280 WeakPolarHBondContact CZ2-O 3.37Å; W240-L280 PolarHBondContact NE1-O 3.17Å
241	F	98.8	Very high	93.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	9.1	176	-121.8	-61.5	0	0	0	114.8	H140 Q141 F222 M224 D237 T238 L255 L260 L266 L268	H140-F241 HydrophobicContact CB-CB 4.37Å; H140-F241 HydrophobicContact CB-CD1 3.87Å; H140-F241 HydrophobicContact CB-CD2 3.44Å; H140-F241 VanDerWaalsContact CB-CD2 3.44Å; H140-F241 HydrophobicContact CB-CE1 3.94Å; H140-F241 HydrophobicContact CB-CE2 3.54Å; H140-F241 HydrophobicContact CB-CG 3.62Å; H140-F241 HydrophobicContact CB-CZ 3.8Å; H140-F241 AromaticContact CD2-CD2 3.91Å; H140-F241 AromaticContact CG-CD2 3.79Å; H140-F241 AromaticContact CG-CE2 3.8Å; Q141-F241 HydrophobicContact CG-CD1 3.9Å; Q141-F241 WeakPolarHBondContact CG-O 3.07Å; Q141-F241 PolarHBondContact NE2-O 2.81Å; F222-F241 HydrophobicContact CE1-CD2 4.23Å; F222-F241 AromaticContact CE1-CE2 3.87Å; F222-F241 HydrophobicContact CE1-CE2 3.87Å; F222-F241 HydrophobicContact CZ-CD2 4.42Å; F222-F241 HydrophobicContact CZ-CE2 4.15Å; M224-F241 HydrophobicContact SD-CB 4.36Å; M224-F241 HydrophobicContact SD-CD2 3.95Å; D237-F241 PolarHBondContact O-N 3.33Å; T238-F241 PolarHBondContact O-N 2.81Å; F241-L255 HydrophobicContact CB-CB 4.1Å; F241-L255 HydrophobicContact CB-CD1 4.02Å; F241-L255 HydrophobicContact CB-CD2 4.07Å; F241-L255 HydrophobicContact CB-CG 4.26Å; F241-L255 HydrophobicContact CD1-CD1 4.26Å; F241-L255 HydrophobicContact CG-CD1 4.25Å; F241-L260 HydrophobicContact CD1-CD2 3.86Å; F241-L260 HydrophobicContact CE1-CD2 3.47Å; F241-L260 VanDerWaalsContact CE1-CD2 3.47Å; F241-L260 HydrophobicContact CZ-CD2 4.38Å; F241-L266 HydrophobicContact CE1-CD1 4.5Å; F241-L266 HydrophobicContact CZ-CD1 4.07Å; F241-L268 HydrophobicContact CD1-CD1 4.32Å; F241-L268 HydrophobicContact CD2-CD1 4.3Å; F241-L268 HydrophobicContact CE1-CD1 4.13Å; F241-L268 HydrophobicContact CE2-CD1 4.08Å; F241-L268 HydrophobicContact CG-CD1 4.42Å; F241-L268 HydrophobicContact CZ-CD1 3.99Å
242	G	98.6	Very high	93.3	Very high	4 Å²	4	45 Å²	45	4%	0.041	25%	0.254	C	S	.	.			trans	-81.2	169.4	168.2	0	0	0	0	0	111.7	D237 T238 W240 E253	D237-G242 CarbonylContact C-O 3.55Å; D237-G242 WeakPolarHBondContact O-CA 3.35Å; D237-G242 PolarHBondContact O-N 2.9Å; T238-G242 WeakPolarHBondContact CA-O 3.46Å; T238-G242 PolarHBondContact N-O 2.95Å; W240-G242 PolarHBondContact O-N 3Å; W240-G242 VanDerWaalsContact O-N 3.12Å; G242-E253 CarbonylContact C-O 3.57Å; G242-E253 WeakPolarHBondContact CA-O 3.33Å
243	F	98.3	Very high	93.7	Very high	6 Å²	6	46 Å²	46	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-179.3	178.7	-154.2	-116.9	0	0	0	113	Q141 G142 H184 P186 P235 T252 E253	Q141-F243 HydrophobicContact CB-CB 3.71Å; Q141-F243 HydrophobicContact CB-CD2 3.49Å; Q141-F243 VanDerWaalsContact CB-CD2 3.49Å; Q141-F243 HydrophobicContact CB-CE2 4.32Å; Q141-F243 HydrophobicContact CB-CG 3.73Å; Q141-F243 HydrophobicContact CG-CB 4Å; Q141-F243 WeakPolarHBondContact O-CE2 3.29Å; G142-F243 WeakPolarHBondContact O-CE2 3.41Å; H184-F243 HydrophobicContact CB-CE1 3.87Å; H184-F243 HydrophobicContact CB-CE2 4.41Å; H184-F243 HydrophobicContact CB-CZ 3.61Å; H184-F243 AromaticContact CD2-CE1 3.81Å; H184-F243 AromaticContact CE1-CD1 3.52Å; H184-F243 AromaticContact CE1-CE1 3.61Å; H184-F243 AromaticContact CG-CE1 3.38Å; H184-F243 AromaticContact CG-CZ 3.66Å; H184-F243 AromaticContact ND1-CD1 3.46Å; H184-F243 WeakPolarHBondContact ND1-CD1 3.38Å; H184-F243 AromaticContact ND1-CE1 3.24Å; H184-F243 WeakPolarHBondContact ND1-CE1 3.49Å; H184-F243 AromaticContact ND1-CZ 3.66Å; H184-F243 AromaticContact NE2-CE1 3.94Å; H184-F243 WeakPolarHBondContact O-CZ 3.32Å; P186-F243 HydrophobicContact CB-CE1 4.41Å; P235-F243 VanDerWaalsContact CD-CE2 3.45Å; P235-F243 HydrophobicContact CG-CD2 3.66Å; P235-F243 HydrophobicContact CG-CE2 3.82Å; P235-F243 HydrophobicContact CG-CG 4.41Å; F243-T252 CarbonylContact O-C 3.59Å; F243-T252 WeakPolarHBondContact O-CA 3.49Å; F243-T252 WeakPolarHBondContact O-CB 3.41Å; F243-E253 PolarHBondContact N-O 3.26Å; F243-E253 PolarHBondContact O-N 3.28Å
244	L	93.3	Very high	93.9	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137.9	169.1	-67.9	164.6	0	0	0	110.3	Y144 P186 P235 A249 E251 T252	Y144-L244 HydrophobicContact CD1-CD1 3.8Å; Y144-L244 HydrophobicContact CG-CD1 4.24Å; P186-L244 HydrophobicContact CB-CB 3.94Å; P186-L244 HydrophobicContact CG-CB 3.9Å; P186-L244 HydrophobicContact CG-CD1 3.81Å; P235-L244 HydrophobicContact CB-CG 4.42Å; P235-L244 HydrophobicContact CG-CG 4.05Å; L244-A249 HydrophobicContact CD1-CB 4.35Å; L244-E251 WeakPolarHBondContact CA-O 3.4Å; L244-T252 HydrophobicContact CD2-CG2 3.87Å; L244-T252 HydrophobicContact CG-CG2 4.48Å
245	K	92.3	Very high	94.2	Very high	77 Å²	77	45.4 Å²	45.4	34%	0.335	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.5	142	173.1	-61.4	177.1	-174.7	168.5	0	110.7	Q248 E251 T252 E253	K245-Q248 HydrophobicContact CB-CG 4.45Å; K245-Q248 VanDerWaalsContact N-NE2 3.15Å; K245-Q248 PolarHBondContact O-N 3.47Å; K245-Q248 PolarHBondContact O-NE2 3.42Å; K245-Q248 VanDerWaalsContact O-O 3.11Å; K245-E251 HydrophobicContact CD-CB 4.06Å; K245-E251 PolarHBondContact N-O 2.91Å; K245-E251 IonicContact NZ-OE2 3.66Å; K245-E251 PolarHBondContact NZ-OE2 2.94Å; K245-T252 WeakPolarHBondContact CE-O 3.12Å; K245-E253 HydrophobicContact CG-CB 3.95Å; K245-E253 HydrophobicContact CG-CG 4.18Å
246	A	90.6	Very high	94.4	Very high	71 Å²	71	48.7 Å²	48.7	59%	0.587	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	143	179.3	0	0	0	0	0	113.2
247	G	86.3	Confident	94.5	Very high	60 Å²	60	51 Å²	51	62%	0.619	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	1.3	179	0	0	0	0	0	115.4	P186	P186-G247 WeakPolarHBondContact O-CA 3.39Å; P186-G247 PolarHBondContact O-N 3.31Å
248	Q	86.1	Confident	94.5	Very high	48 Å²	48	49.3 Å²	49.3	22%	0.224	27%	0.27	C	S	.	.			trans	-155.6	170.5	-177.9	62.7	78.8	53.7	0	0	111.9	P186 L187 K245 E251	P186-Q248 WeakPolarHBondContact CB-O 3.49Å; P186-Q248 VanDerWaalsContact CG-O 3.24Å; P186-Q248 WeakPolarHBondContact CG-O 3.43Å; L187-Q248 VanDerWaalsContact CD2-CA 3.46Å; K245-Q248 HydrophobicContact CB-CG 4.45Å; K245-Q248 VanDerWaalsContact N-NE2 3.15Å; K245-Q248 PolarHBondContact O-N 3.47Å; K245-Q248 PolarHBondContact O-NE2 3.42Å; K245-Q248 VanDerWaalsContact O-O 3.11Å; Q248-E251 PolarHBondContact NE2-O 3Å
249	A	86.4	Confident	94.4	Very high	51 Å²	51	51.4 Å²	51.4	42%	0.421	29%	0.288	S	S	.	.	S	Bend	trans	-133.3	36.3	-174.5	0	0	0	0	0	113.8	Y144 P186 L187 L244	Y144-A249 HydrophobicContact CD1-CB 3.92Å; Y144-A249 HydrophobicContact CE1-CB 3.59Å; P186-A249 HydrophobicContact CG-CB 4.4Å; L187-A249 HydrophobicContact CD2-CB 4.31Å; L244-A249 HydrophobicContact CD1-CB 4.35Å
250	K	81.5	Confident	94.3	Very high	185 Å²	185	51.7 Å²	51.7	80%	0.804	29%	0.289	S	S	*	.	S	Bend	trans	-130.9	-55.1	-176	-174.3	-178.2	179.6	-174.8	0	113.6
251	E	91.4	Very high	94.3	Very high	113 Å²	113	50.2 Å²	50.2	53%	0.528	28%	0.284	S	S	.	.			trans	-82.4	133.4	178.7	-65.8	-172.8	-171	0	0	110.5	L244 K245 Q248	L244-E251 WeakPolarHBondContact CA-O 3.4Å; K245-E251 HydrophobicContact CD-CB 4.06Å; K245-E251 PolarHBondContact N-O 2.91Å; K245-E251 IonicContact NZ-OE2 3.66Å; K245-E251 PolarHBondContact NZ-OE2 2.94Å; Q248-E251 PolarHBondContact NE2-O 3Å
252	T	94.9	Very high	94.3	Very high	53 Å²	53	58.8 Å²	58.8	33%	0.325	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	158.7	171.5	55.9	0	0	0	0	111	P235 D237 F243 L244 K245	P235-T252 HydrophobicContact CB-CG2 3.96Å; D237-T252 HydrophobicContact CB-CG2 4.49Å; D237-T252 WeakPolarHBondContact OD2-CG2 3.47Å; D237-T252 PolarHBondContact OD2-OG1 3.16Å; F243-T252 CarbonylContact O-C 3.59Å; F243-T252 WeakPolarHBondContact O-CA 3.49Å; F243-T252 WeakPolarHBondContact O-CB 3.41Å; L244-T252 HydrophobicContact CD2-CG2 3.87Å; L244-T252 HydrophobicContact CG-CG2 4.48Å; K245-T252 WeakPolarHBondContact CE-O 3.12Å
253	E	97.4	Very high	94.3	Very high	52 Å²	52	64.2 Å²	64.2	24%	0.243	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.3	166.5	62.8	175.5	177.9	0	0	109.2	G242 F243 K245 E257	G242-E253 CarbonylContact C-O 3.57Å; G242-E253 WeakPolarHBondContact CA-O 3.33Å; F243-E253 PolarHBondContact N-O 3.26Å; F243-E253 PolarHBondContact O-N 3.28Å; K245-E253 HydrophobicContact CG-CB 3.95Å; K245-E253 HydrophobicContact CG-CG 4.18Å; E253-E257 HydrophobicContact CB-CB 3.99Å
254	T	98.6	Very high	94.3	Very high	62 Å²	62	65 Å²	65	38%	0.38	35%	0.345	S	S	.	.			trans	-74.8	164.4	175	59.1	0	0	0	0	111.3	Q256 E257 S258	T254-Q256 PolarHBondContact O-N 3.09Å; T254-E257 WeakPolarHBondContact CB-OE2 3.13Å; T254-E257 PolarHBondContact N-OE2 3.04Å; T254-E257 PolarHBondContact O-N 2.71Å; T254-E257 VanDerWaalsContact O-N 3.07Å; T254-E257 VanDerWaalsContact OG1-CD 3.26Å; T254-E257 VanDerWaalsContact OG1-CG 3.28Å; T254-E257 WeakPolarHBondContact OG1-CG 3.48Å; T254-E257 PolarHBondContact OG1-N 3.36Å; T254-E257 PolarHBondContact OG1-OE2 2.82Å; T254-S258 PolarHBondContact O-N 3.39Å
255	L	98.6	Very high	94.6	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-49.6	-47.5	172.2	170.9	58.9	0	0	0	111.3	F241 E257 S258 L260 Y261 L268 L277 F279	F241-L255 HydrophobicContact CB-CB 4.1Å; F241-L255 HydrophobicContact CB-CD1 4.02Å; F241-L255 HydrophobicContact CB-CD2 4.07Å; F241-L255 HydrophobicContact CB-CG 4.26Å; F241-L255 HydrophobicContact CD1-CD1 4.26Å; F241-L255 HydrophobicContact CG-CD1 4.25Å; L255-E257 PolarHBondContact O-N 3.35Å; L255-S258 WeakPolarHBondContact O-CB 3.21Å; L255-S258 PolarHBondContact O-N 3.45Å; L255-S258 VanDerWaalsContact O-N 3.14Å; L255-S258 PolarHBondContact O-OG 2.77Å; L255-L260 HydrophobicContact CD1-CD2 4.49Å; L255-Y261 HydrophobicContact CD1-CD2 4.02Å; L255-Y261 HydrophobicContact CD1-CG 4.41Å; L255-Y261 HydrophobicContact CD2-CD2 4.05Å; L255-Y261 HydrophobicContact CD2-CE2 4.47Å; L255-Y261 HydrophobicContact CG-CD2 3.7Å; L255-Y261 HydrophobicContact CG-CE2 4.46Å; L255-Y261 HydrophobicContact CG-CG 4.28Å; L255-Y261 WeakPolarHBondContact O-CB 3.42Å; L255-L268 HydrophobicContact CD1-CD1 3.73Å; L255-L268 HydrophobicContact CD2-CD1 4.41Å; L255-L277 HydrophobicContact CD2-CD1 4.01Å; L255-F279 HydrophobicContact CD2-CZ 4.11Å
256	Q	98.6	Very high	94.9	Very high	75 Å²	75	62.8 Å²	62.8	35%	0.35	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-67	-23.2	-176.1	-67.6	78.4	6.2	0	0	113.5	T254 Y261 D272	T254-Q256 PolarHBondContact O-N 3.09Å; Q256-Y261 HydrophobicContact CB-CD1 4.32Å; Q256-Y261 HydrophobicContact CB-CE1 4.3Å; Q256-Y261 HydrophobicContact CG-CD1 4.41Å; Q256-Y261 HydrophobicContact CG-CE1 4.03Å; Q256-Y261 HydrophobicContact CG-CE2 4.28Å; Q256-D272 PolarHBondContact NE2-OD2 2.73Å
257	E	98.4	Very high	95.2	Very high	84 Å²	84	59.4 Å²	59.4	39%	0.393	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-82.9	-25.9	175.8	-71.8	166.6	141.6	0	0	112.7	E253 T254 L255 R262	E253-E257 HydrophobicContact CB-CB 3.99Å; T254-E257 WeakPolarHBondContact CB-OE2 3.13Å; T254-E257 PolarHBondContact N-OE2 3.04Å; T254-E257 PolarHBondContact O-N 2.71Å; T254-E257 VanDerWaalsContact O-N 3.07Å; T254-E257 VanDerWaalsContact OG1-CD 3.26Å; T254-E257 VanDerWaalsContact OG1-CG 3.28Å; T254-E257 WeakPolarHBondContact OG1-CG 3.48Å; T254-E257 PolarHBondContact OG1-N 3.36Å; T254-E257 PolarHBondContact OG1-OE2 2.82Å; L255-E257 PolarHBondContact O-N 3.35Å; E257-R262 PolarHBondContact O-NE 3.24Å; E257-R262 VanDerWaalsContact O-NE 3.1Å; E257-R262 PolarHBondContact O-NH1 3.29Å; E257-R262 PolarHBondContact O-NH2 3.22Å
258	S	97.9	Very high	95.8	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.042	28%	0.276	C	S	.	.	S	Bend	trans	-66.4	153.5	-177.1	76.6	0	0	0	0	114.1	T254 L255 L260 Y261 R262	T254-S258 PolarHBondContact O-N 3.39Å; L255-S258 WeakPolarHBondContact O-CB 3.21Å; L255-S258 PolarHBondContact O-N 3.45Å; L255-S258 VanDerWaalsContact O-N 3.14Å; L255-S258 PolarHBondContact O-OG 2.77Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 PolarHBondContact O-N 2.97Å; S258-Y261 PolarHBondContact O-N 2.99Å; S258-Y261 PolarHBondContact OG-N 2.61Å; S258-R262 WeakPolarHBondContact O-CG 3.49Å; S258-R262 PolarHBondContact O-N 3.24Å; S258-R262 VanDerWaalsContact O-N 3.12Å
259	A	96.5	Very high	96.4	Very high	45 Å²	45	55.4 Å²	55.4	37%	0.372	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-36	171.7	0	0	0	0	0	112.3	Y261 R262 E263	A259-Y261 VanDerWaalsContact C-N 3.25Å; A259-Y261 PolarHBondContact O-N 3.45Å; A259-R262 PolarHBondContact O-N 2.97Å; A259-E263 VanDerWaalsContact O-CB 3.31Å; A259-E263 WeakPolarHBondContact O-CB 3.44Å; A259-E263 WeakPolarHBondContact O-CG 3.29Å; A259-E263 PolarHBondContact O-N 2.84Å
260	L	98.1	Very high	97	Very high	6 Å²	6	55 Å²	55	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-52.4	-43.8	177.6	177.7	70	0	0	0	112.2	N203 F241 L255 S258 D264 R265 L266 L268	N203-L260 WeakPolarHBondContact O-CD1 3.39Å; F241-L260 HydrophobicContact CD1-CD2 3.86Å; F241-L260 HydrophobicContact CE1-CD2 3.47Å; F241-L260 VanDerWaalsContact CE1-CD2 3.47Å; F241-L260 HydrophobicContact CZ-CD2 4.38Å; L255-L260 HydrophobicContact CD1-CD2 4.49Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 PolarHBondContact O-N 2.97Å; L260-D264 PolarHBondContact O-N 3.38Å; L260-R265 HydrophobicContact CD1-CB 4.08Å; L260-R265 PolarHBondContact O-N 3.44Å; L260-R265 VanDerWaalsContact O-N 3.1Å; L260-L266 HydrophobicContact CD1-CB 4.35Å; L260-L266 HydrophobicContact CD1-CD1 3.99Å; L260-L266 HydrophobicContact CD1-CG 3.99Å; L260-L266 HydrophobicContact CD2-CD1 4.24Å; L260-L268 HydrophobicContact CD2-CD1 3.95Å; L260-L268 HydrophobicContact CG-CD1 4.36Å
261	Y	98.7	Very high	97.9	Very high	42 Å²	42	46.3 Å²	46.3	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	-81	-46.5	179.9	-174.3	-88.3	0	0	0	112.3	L255 Q256 S258 A259 E263 D264 L268 A269 D272	L255-Y261 HydrophobicContact CD1-CD2 4.02Å; L255-Y261 HydrophobicContact CD1-CG 4.41Å; L255-Y261 HydrophobicContact CD2-CD2 4.05Å; L255-Y261 HydrophobicContact CD2-CE2 4.47Å; L255-Y261 HydrophobicContact CG-CD2 3.7Å; L255-Y261 HydrophobicContact CG-CE2 4.46Å; L255-Y261 HydrophobicContact CG-CG 4.28Å; L255-Y261 WeakPolarHBondContact O-CB 3.42Å; Q256-Y261 HydrophobicContact CB-CD1 4.32Å; Q256-Y261 HydrophobicContact CB-CE1 4.3Å; Q256-Y261 HydrophobicContact CG-CD1 4.41Å; Q256-Y261 HydrophobicContact CG-CE1 4.03Å; Q256-Y261 HydrophobicContact CG-CE2 4.28Å; S258-Y261 PolarHBondContact O-N 2.99Å; S258-Y261 PolarHBondContact OG-N 2.61Å; A259-Y261 VanDerWaalsContact C-N 3.25Å; A259-Y261 PolarHBondContact O-N 3.45Å; Y261-E263 VanDerWaalsContact C-N 3.29Å; Y261-E263 PolarHBondContact O-N 3.43Å; Y261-D264 WeakPolarHBondContact O-CA 3.4Å; Y261-D264 PolarHBondContact O-N 3.12Å; Y261-L268 HydrophobicContact CD2-CB 4.11Å; Y261-A269 HydrophobicContact CD1-CB 4.02Å; Y261-A269 HydrophobicContact CD2-CB 4.04Å; Y261-A269 HydrophobicContact CE1-CB 3.69Å; Y261-A269 HydrophobicContact CE2-CB 3.74Å; Y261-A269 HydrophobicContact CG-CB 4.17Å; Y261-A269 VanDerWaalsContact CZ-CA 3.46Å; Y261-D272 HydrophobicContact CE2-CB 3.98Å; Y261-D272 WeakPolarHBondContact OH-CB 3.31Å; Y261-D272 PolarHBondContact OH-OD2 2.78Å; Y261-D272 VanDerWaalsContact OH-OD2 3.1Å
262	R	98.6	Very high	98.2	Very high	181 Å²	181	42.7 Å²	42.7	68%	0.683	22%	0.218	S	C	*	.	H	α-helix	trans	-62.4	-36.5	-177.5	-70.4	176.8	179.7	166.1	4	112.8	E257 S258 A259 D264	E257-R262 PolarHBondContact O-NE 3.24Å; E257-R262 VanDerWaalsContact O-NE 3.1Å; E257-R262 PolarHBondContact O-NH1 3.29Å; E257-R262 PolarHBondContact O-NH2 3.22Å; S258-R262 WeakPolarHBondContact O-CG 3.49Å; S258-R262 PolarHBondContact O-N 3.24Å; S258-R262 VanDerWaalsContact O-N 3.12Å; A259-R262 PolarHBondContact O-N 2.97Å; R262-D264 VanDerWaalsContact C-N 3.34Å
263	E	98.3	Very high	98.4	Very high	118 Å²	118	48.9 Å²	48.9	55%	0.551	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-4.3	174.8	-60.9	173.2	-152.5	0	0	112.6	A259 Y261 R265	A259-E263 VanDerWaalsContact O-CB 3.31Å; A259-E263 WeakPolarHBondContact O-CB 3.44Å; A259-E263 WeakPolarHBondContact O-CG 3.29Å; A259-E263 PolarHBondContact O-N 2.84Å; Y261-E263 VanDerWaalsContact C-N 3.29Å; Y261-E263 PolarHBondContact O-N 3.43Å; E263-R265 HydrophobicContact CB-CG 3.92Å; E263-R265 VanDerWaalsContact CD-NH2 3.27Å; E263-R265 PolarHBondContact O-N 3.25Å; E263-R265 IonicContact OE1-NH2 3.73Å; E263-R265 PolarHBondContact OE1-NH2 3.38Å; E263-R265 VanDerWaalsContact OE1-NH2 3.11Å; E263-R265 IonicContact OE2-CZ 3.59Å; E263-R265 IonicContact OE2-NE 3.72Å; E263-R265 PolarHBondContact OE2-NE 3.14Å; E263-R265 IonicContact OE2-NH2 2.77Å; E263-R265 PolarHBondContact OE2-NH2 3.35Å
264	D	98.3	Very high	98.4	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.123	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.3	179.2	-162.8	42	0	0	0	114.2	R213 L260 Y261 R262 L266 G267 L268 A269 A270	R213-D264 IonicContact CZ-OD2 3.8Å; R213-D264 PolarHBondContact NE-O 2.74Å; R213-D264 IonicContact NE-OD2 3.56Å; R213-D264 IonicContact NH2-OD2 2.66Å; R213-D264 PolarHBondContact NH2-OD2 2.75Å; L260-D264 PolarHBondContact O-N 3.38Å; Y261-D264 WeakPolarHBondContact O-CA 3.4Å; Y261-D264 PolarHBondContact O-N 3.12Å; R262-D264 VanDerWaalsContact C-N 3.34Å; D264-L266 PolarHBondContact O-N 3.1Å; D264-L266 VanDerWaalsContact O-N 3.16Å; D264-G267 PolarHBondContact O-N 3.04Å; D264-G267 WeakPolarHBondContact OD1-CA 3.43Å; D264-G267 PolarHBondContact OD1-N 3.31Å; D264-L268 PolarHBondContact OD1-N 2.76Å; D264-A269 HydrophobicContact CB-CB 4.24Å; D264-A269 WeakPolarHBondContact OD1-CB 3.47Å; D264-A269 PolarHBondContact OD1-N 3.25Å; D264-A270 PolarHBondContact OD1-N 3.16Å
265	R	98.4	Very high	98.4	Very high	42 Å²	42	53 Å²	53	16%	0.158	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.7	-172.5	-52.4	-179	-179.5	169.2	1.9	113.2	Q204 E205 V208 L260 E263	Q204-R265 HydrophobicContact CB-CB 4Å; Q204-R265 HydrophobicContact CG-CB 4.34Å; Q204-R265 PolarHBondContact NE2-O 2.73Å; E205-R265 IonicContact OE2-NH1 2.96Å; V208-R265 HydrophobicContact CG2-CB 4.19Å; V208-R265 HydrophobicContact CG2-CG 4.26Å; L260-R265 HydrophobicContact CD1-CB 4.08Å; L260-R265 PolarHBondContact O-N 3.44Å; L260-R265 VanDerWaalsContact O-N 3.1Å; E263-R265 HydrophobicContact CB-CG 3.92Å; E263-R265 VanDerWaalsContact CD-NH2 3.27Å; E263-R265 PolarHBondContact O-N 3.25Å; E263-R265 IonicContact OE1-NH2 3.73Å; E263-R265 PolarHBondContact OE1-NH2 3.38Å; E263-R265 VanDerWaalsContact OE1-NH2 3.11Å; E263-R265 IonicContact OE2-CZ 3.59Å; E263-R265 IonicContact OE2-NE 3.72Å; E263-R265 PolarHBondContact OE2-NE 3.14Å; E263-R265 IonicContact OE2-NH2 2.77Å; E263-R265 PolarHBondContact OE2-NH2 3.35Å
266	L	98.5	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-4.4	175.5	-83.4	-180	0	0	0	114	Q204 L216 F241 L260 D264 L268	Q204-L266 HydrophobicContact CG-CD2 3.49Å; Q204-L266 VanDerWaalsContact CG-CD2 3.49Å; Q204-L266 HydrophobicContact CG-CG 3.75Å; L216-L266 HydrophobicContact CD2-CB 4.26Å; L216-L266 HydrophobicContact CD2-CD2 4.43Å; F241-L266 HydrophobicContact CE1-CD1 4.5Å; F241-L266 HydrophobicContact CZ-CD1 4.07Å; L260-L266 HydrophobicContact CD1-CB 4.35Å; L260-L266 HydrophobicContact CD1-CD1 3.99Å; L260-L266 HydrophobicContact CD1-CG 3.99Å; L260-L266 HydrophobicContact CD2-CD1 4.24Å; D264-L266 PolarHBondContact O-N 3.1Å; D264-L266 VanDerWaalsContact O-N 3.16Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 HydrophobicContact CB-CD1 4.22Å; L266-L268 HydrophobicContact CB-CG 3.94Å; L266-L268 HydrophobicContact CD1-CD1 4.3Å
267	G	98.6	Very high	98.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	81.3	10.2	-174.4	0	0	0	0	0	114.5	Q217 D264 A270 M271	Q217-G267 VanDerWaalsContact NE2-CA 3.3Å; Q217-G267 PolarHBondContact NE2-O 2.93Å; D264-G267 PolarHBondContact O-N 3.04Å; D264-G267 WeakPolarHBondContact OD1-CA 3.43Å; D264-G267 PolarHBondContact OD1-N 3.31Å; G267-A270 PolarHBondContact O-N 3.08Å; G267-M271 VanDerWaalsContact O-CG 3.31Å; G267-M271 WeakPolarHBondContact O-CG 3.14Å; G267-M271 PolarHBondContact O-N 2.65Å
268	L	98.9	Very high	98.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-35.9	-177.1	-66.9	174	0	0	0	112.7	L216 F222 F241 L255 L260 Y261 D264 L266 M271 D272 L277	L216-L268 HydrophobicContact CD2-CD2 3.99Å; F222-L268 HydrophobicContact CE1-CD2 4.47Å; F241-L268 HydrophobicContact CD1-CD1 4.32Å; F241-L268 HydrophobicContact CD2-CD1 4.3Å; F241-L268 HydrophobicContact CE1-CD1 4.13Å; F241-L268 HydrophobicContact CE2-CD1 4.08Å; F241-L268 HydrophobicContact CG-CD1 4.42Å; F241-L268 HydrophobicContact CZ-CD1 3.99Å; L255-L268 HydrophobicContact CD1-CD1 3.73Å; L255-L268 HydrophobicContact CD2-CD1 4.41Å; L260-L268 HydrophobicContact CD2-CD1 3.95Å; L260-L268 HydrophobicContact CG-CD1 4.36Å; Y261-L268 HydrophobicContact CD2-CB 4.11Å; D264-L268 PolarHBondContact OD1-N 2.76Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 HydrophobicContact CB-CD1 4.22Å; L266-L268 HydrophobicContact CB-CG 3.94Å; L266-L268 HydrophobicContact CD1-CD1 4.3Å; L268-M271 HydrophobicContact CD2-SD 4.43Å; L268-M271 PolarHBondContact O-N 3.39Å; L268-D272 WeakPolarHBondContact O-CB 3.12Å; L268-D272 PolarHBondContact O-N 2.82Å; L268-L277 HydrophobicContact CB-CD1 4.42Å; L268-L277 HydrophobicContact CD2-CD1 4.38Å; L268-L277 HydrophobicContact CD2-CD2 4.2Å
269	A	98.8	Very high	98.5	Very high	24 Å²	24	52.4 Å²	52.4	20%	0.198	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-38.4	177.2	0	0	0	0	0	111.7	Y261 D264 K273	Y261-A269 HydrophobicContact CD1-CB 4.02Å; Y261-A269 HydrophobicContact CD2-CB 4.04Å; Y261-A269 HydrophobicContact CE1-CB 3.69Å; Y261-A269 HydrophobicContact CE2-CB 3.74Å; Y261-A269 HydrophobicContact CG-CB 4.17Å; Y261-A269 VanDerWaalsContact CZ-CA 3.46Å; D264-A269 HydrophobicContact CB-CB 4.24Å; D264-A269 WeakPolarHBondContact OD1-CB 3.47Å; D264-A269 PolarHBondContact OD1-N 3.25Å; A269-K273 WeakPolarHBondContact O-CB 3.41Å; A269-K273 PolarHBondContact O-N 3.49Å
270	A	98.8	Very high	98.6	Very high	41 Å²	41	51.6 Å²	51.6	34%	0.339	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-39.1	172.3	0	0	0	0	0	112.1	D264 G267 A274	D264-A270 PolarHBondContact OD1-N 3.16Å; G267-A270 PolarHBondContact O-N 3.08Å; A270-A274 WeakPolarHBondContact O-CB 3.27Å; A270-A274 PolarHBondContact O-N 3.43Å
271	M	98.8	Very high	98.7	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-42.7	175.3	-73.1	177.1	76.9	0	0	112.2	L216 Q217 L219 F222 G267 L268 A274 H275 K276 L277	L216-M271 HydrophobicContact CD2-SD 4.45Å; L216-M271 HydrophobicContact CG-SD 4.07Å; L216-M271 WeakPolarHBondContact O-CE 3.47Å; Q217-M271 HydrophobicContact CG-CG 4Å; Q217-M271 HydrophobicContact CG-SD 4.2Å; L219-M271 HydrophobicContact CB-CE 4.14Å; L219-M271 HydrophobicContact CD1-CE 4.45Å; F222-M271 HydrophobicContact CB-CE 4.13Å; G267-M271 VanDerWaalsContact O-CG 3.31Å; G267-M271 WeakPolarHBondContact O-CG 3.14Å; G267-M271 PolarHBondContact O-N 2.65Å; L268-M271 HydrophobicContact CD2-SD 4.43Å; L268-M271 PolarHBondContact O-N 3.39Å; M271-A274 CarbonylContact O-C 3.49Å; M271-A274 PolarHBondContact O-N 3.02Å; M271-H275 PolarHBondContact O-N 2.79Å; M271-K276 HydrophobicContact CB-CB 4.05Å; M271-K276 HydrophobicContact CB-CD 4.49Å; M271-K276 HydrophobicContact CE-CB 4.24Å; M271-K276 HydrophobicContact CG-CB 4.48Å; M271-K276 HydrophobicContact CG-CD 4.19Å; M271-K276 WeakPolarHBondContact O-CB 3.42Å; M271-K276 PolarHBondContact O-N 2.89Å; M271-L277 HydrophobicContact CB-CD2 3.91Å; M271-L277 HydrophobicContact CB-CG 4.04Å; M271-L277 HydrophobicContact CE-CD2 4.05Å; M271-L277 HydrophobicContact SD-CD2 4.47Å
272	D	98.8	Very high	98.6	Very high	38 Å²	38	52.3 Å²	52.3	20%	0.203	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-47.8	178.1	-162.3	10	0	0	0	110.8	Q256 Y261 L268 A274 H275 L277	Q256-D272 PolarHBondContact NE2-OD2 2.73Å; Y261-D272 HydrophobicContact CE2-CB 3.98Å; Y261-D272 WeakPolarHBondContact OH-CB 3.31Å; Y261-D272 PolarHBondContact OH-OD2 2.78Å; Y261-D272 VanDerWaalsContact OH-OD2 3.1Å; L268-D272 WeakPolarHBondContact O-CB 3.12Å; L268-D272 PolarHBondContact O-N 2.82Å; D272-A274 PolarHBondContact O-N 2.77Å; D272-H275 WeakPolarHBondContact O-CA 3.39Å; D272-H275 PolarHBondContact O-N 2.84Å; D272-L277 HydrophobicContact CB-CD1 3.87Å; D272-L277 HydrophobicContact CB-CG 4.23Å
273	K	98.7	Very high	98.5	Very high	182 Å²	182	49.2 Å²	49.2	79%	0.791	26%	0.26	S	S	*	.	H	α-helix	trans	-58.9	-31.2	174.1	-174.7	177	179.1	179.9	0	113.1	A269 H275	A269-K273 WeakPolarHBondContact O-CB 3.41Å; A269-K273 PolarHBondContact O-N 3.49Å; K273-H275 VanDerWaalsContact C-N 3.26Å
274	A	98.7	Very high	98.4	Very high	58 Å²	58	44 Å²	44	48%	0.479	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	8.7	174.9	0	0	0	0	0	113.4	A270 M271 D272 K276	A270-A274 WeakPolarHBondContact O-CB 3.27Å; A270-A274 PolarHBondContact O-N 3.43Å; M271-A274 CarbonylContact O-C 3.49Å; M271-A274 PolarHBondContact O-N 3.02Å; D272-A274 PolarHBondContact O-N 2.77Å; A274-K276 HydrophobicContact CB-CD 4.39Å; A274-K276 HydrophobicContact CB-CG 4.1Å; A274-K276 PolarHBondContact O-N 2.7Å
275	H	98.5	Very high	98.3	Very high	143 Å²	143	45.3 Å²	45.3	66%	0.662	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	32.1	-177.3	-55.6	-66	0	0	0	113.7	K221 M271 D272 K273	K221-H275 PolarHBondContact NZ-O 3.06Å; M271-H275 PolarHBondContact O-N 2.79Å; D272-H275 WeakPolarHBondContact O-CA 3.39Å; D272-H275 PolarHBondContact O-N 2.84Å; K273-H275 VanDerWaalsContact C-N 3.26Å
276	K	98.8	Very high	98.2	Very high	54 Å²	54	44.6 Å²	44.6	24%	0.235	24%	0.243	C	C	.	.			trans	-85.3	-29.5	176.6	-64.4	-175.7	165.3	-152.5	0	112.2	Q217 L219 K221 F222 M271 A274	Q217-K276 PolarHBondContact O-NZ 3.32Å; L219-K276 WeakPolarHBondContact O-CD 3.36Å; L219-K276 WeakPolarHBondContact O-CE 3.46Å; L219-K276 PolarHBondContact O-NZ 2.81Å; K221-K276 CarbonylContact C-O 3.57Å; K221-K276 WeakPolarHBondContact CA-O 3.49Å; F222-K276 PolarHBondContact N-O 3.37Å; M271-K276 HydrophobicContact CB-CB 4.05Å; M271-K276 HydrophobicContact CB-CD 4.49Å; M271-K276 HydrophobicContact CE-CB 4.24Å; M271-K276 HydrophobicContact CG-CB 4.48Å; M271-K276 HydrophobicContact CG-CD 4.19Å; M271-K276 WeakPolarHBondContact O-CB 3.42Å; M271-K276 PolarHBondContact O-N 2.89Å; A274-K276 HydrophobicContact CB-CD 4.39Å; A274-K276 HydrophobicContact CB-CG 4.1Å; A274-K276 PolarHBondContact O-N 2.7Å
277	L	98.9	Very high	98.1	Very high	11 Å²	11	47.2 Å²	47.2	6%	0.058	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.5	174	-54.1	-169.4	0	0	0	109.6	F222 M224 L255 L268 M271 D272 F279	F222-L277 HydrophobicContact CB-CD2 3.92Å; F222-L277 HydrophobicContact CD1-CD2 3.81Å; F222-L277 HydrophobicContact CG-CD2 4.27Å; F222-L277 WeakPolarHBondContact O-CA 3.36Å; M224-L277 HydrophobicContact CE-CB 4.27Å; M224-L277 HydrophobicContact CE-CD1 4.49Å; M224-L277 HydrophobicContact CE-CD2 4.41Å; L255-L277 HydrophobicContact CD2-CD1 4.01Å; L268-L277 HydrophobicContact CB-CD1 4.42Å; L268-L277 HydrophobicContact CD2-CD1 4.38Å; L268-L277 HydrophobicContact CD2-CD2 4.2Å; M271-L277 HydrophobicContact CB-CD2 3.91Å; M271-L277 HydrophobicContact CB-CG 4.04Å; M271-L277 HydrophobicContact CE-CD2 4.05Å; M271-L277 HydrophobicContact SD-CD2 4.47Å; D272-L277 HydrophobicContact CB-CD1 3.87Å; D272-L277 HydrophobicContact CB-CG 4.23Å; L277-F279 HydrophobicContact CB-CE2 3.82Å; L277-F279 HydrophobicContact CB-CZ 4.1Å; L277-F279 HydrophobicContact CD1-CE2 4.49Å; L277-F279 HydrophobicContact CD1-CZ 4.12Å
278	V	98.9	Very high	98	Very high	27 Å²	27	53 Å²	53	16%	0.164	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.3	175.7	-178	0	0	0	0	108.3	K221 F222 V223 M224 L280 F301	K221-V278 HydrophobicContact CD-CG2 4.02Å; F222-V278 PolarHBondContact O-N 3.47Å; V223-V278 CarbonylContact C-O 3.58Å; V223-V278 WeakPolarHBondContact CA-O 3.5Å; V223-V278 HydrophobicContact CB-CB 4.41Å; V223-V278 HydrophobicContact CG1-CB 4.32Å; V223-V278 HydrophobicContact CG1-CG1 4.35Å; V223-V278 HydrophobicContact CG2-CB 4.13Å; V223-V278 HydrophobicContact CG2-CG2 4.42Å; M224-V278 PolarHBondContact N-O 3.04Å; V278-L280 HydrophobicContact CG1-CD2 4.14Å; V278-L280 HydrophobicContact CG1-CG 4.09Å; V278-F301 HydrophobicContact CB-CZ 4.45Å; V278-F301 HydrophobicContact CG1-CZ 3.92Å; V278-F301 HydrophobicContact CG2-CE1 4.15Å; V278-F301 HydrophobicContact CG2-CZ 4.23Å
279	F	98.9	Very high	97.9	Very high	62 Å²	62	55.2 Å²	55.2	27%	0.272	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.7	-179.8	-59	-86.8	0	0	0	108.5	M224 W240 L255 L277	M224-F279 HydrophobicContact CE-CD1 3.78Å; M224-F279 HydrophobicContact CE-CE1 3.22Å; M224-F279 HydrophobicContact CE-CE2 4.39Å; M224-F279 HydrophobicContact CE-CZ 3.58Å; M224-F279 HydrophobicContact SD-CE1 4.16Å; W240-F279 HydrophobicContact CB-CD1 3.93Å; W240-F279 HydrophobicContact CB-CE1 4.22Å; W240-F279 AromaticContact CD1-CD1 3.79Å; W240-F279 HydrophobicContact CD2-CB 4.11Å; W240-F279 AromaticContact CD2-CD1 3.92Å; W240-F279 HydrophobicContact CD2-CD1 3.92Å; W240-F279 HydrophobicContact CD2-CG 4.47Å; W240-F279 AromaticContact CG-CD1 3.63Å; W240-F279 HydrophobicContact CG-CD1 3.63Å; W240-F279 HydrophobicContact CG-CE1 4.38Å; W240-F279 HydrophobicContact CH2-CB 4.42Å; W240-F279 HydrophobicContact CZ2-CB 3.86Å; L255-F279 HydrophobicContact CD2-CZ 4.11Å; L277-F279 HydrophobicContact CB-CE2 3.82Å; L277-F279 HydrophobicContact CB-CZ 4.1Å; L277-F279 HydrophobicContact CD1-CE2 4.49Å; L277-F279 HydrophobicContact CD1-CZ 4.12Å
280	L	98.8	Very high	97.7	Very high	29 Å²	29	56.7 Å²	56.7	15%	0.152	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.4	176.2	-62.5	178.1	0	0	0	109.6	V223 M224 V225 K226 W240 V278 W293 N297 L298 F301	V223-L280 HydrophobicContact CG1-CD1 3.65Å; V223-L280 HydrophobicContact CG1-CG 4.13Å; M224-L280 PolarHBondContact O-N 3.49Å; V225-L280 CarbonylContact C-O 3.42Å; V225-L280 VanDerWaalsContact CA-O 3.3Å; V225-L280 WeakPolarHBondContact CA-O 3.44Å; V225-L280 HydrophobicContact CG2-CB 4.35Å; K226-L280 PolarHBondContact N-O 3.45Å; W240-L280 VanDerWaalsContact CZ2-O 3.25Å; W240-L280 WeakPolarHBondContact CZ2-O 3.37Å; W240-L280 PolarHBondContact NE1-O 3.17Å; V278-L280 HydrophobicContact CG1-CD2 4.14Å; V278-L280 HydrophobicContact CG1-CG 4.09Å; L280-W293 HydrophobicContact CB-CH2 4.47Å; L280-W293 HydrophobicContact CB-CZ2 4.3Å; L280-N297 HydrophobicContact CD1-CB 4.17Å; L280-L298 HydrophobicContact CD1-CD2 3.66Å; L280-F301 HydrophobicContact CD1-CE2 4.24Å
281	S	98.4	Very high	97.6	Very high	51 Å²	51	59.5 Å²	59.5	36%	0.357	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.5	172.8	58.5	0	0	0	0	110.9	K226	K226-S281 CarbonylContact O-C 3.57Å; K226-S281 WeakPolarHBondContact O-CA 3.35Å
282	T	98	Very high	97.5	Very high	12 Å²	12	65.9 Å²	65.9	7%	0.074	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.3	170.5	-175.3	0	0	0	0	110	V225 K226 F227 L228 F289	V225-T282 HydrophobicContact CG1-CG2 4.39Å; K226-T282 PolarHBondContact O-N 2.92Å; F227-T282 HydrophobicContact CD1-CG2 3.36Å; F227-T282 HydrophobicContact CE1-CG2 3.36Å; F227-T282 HydrophobicContact CG-CG2 4.24Å; F227-T282 HydrophobicContact CZ-CG2 4.24Å; L228-T282 WeakPolarHBondContact CG-O 3.32Å; L228-T282 PolarHBondContact N-O 3.5Å; T282-F289 HydrophobicContact CG2-CB 4.46Å
283	D	95.9	Very high	97.5	Very high	116 Å²	116	66.1 Å²	66.1	62%	0.62	33%	0.331	S	S	*	.	S	Bend	trans	-65.6	147.6	162.1	-66.3	-43.2	0	0	0	108.9
284	G	95.8	Very high	97.4	Very high	7 Å²	7	57.4 Å²	57.4	7%	0.072	29%	0.294	C	S	.	.	S	Bend	trans	125.5	162.8	-178.6	0	0	0	0	0	112.8	Q229	Q229-G284 CarbonylContact C-O 3.51Å; Q229-G284 WeakPolarHBondContact CA-O 3.25Å; Q229-G284 WeakPolarHBondContact CB-O 3.24Å; Q229-G284 PolarHBondContact N-O 3.4Å; Q229-G284 VanDerWaalsContact N-O 3.1Å
285	D	96.1	Very high	97.3	Very high	51 Å²	51	56.9 Å²	56.9	27%	0.273	28%	0.284	S	S	.	.	S	Bend	trans	-77.8	-178.5	170.3	-153.1	-24.8	0	0	0	110.4	F227 T231 L287 Q288	F227-D285 WeakPolarHBondContact CD1-O 3.38Å; T231-D285 PolarHBondContact N-OD1 3.39Å; T231-D285 PolarHBondContact OG1-OD1 3.23Å; T231-D285 PolarHBondContact OG1-OD2 2.94Å; D285-L287 PolarHBondContact O-N 3.06Å; D285-Q288 VanDerWaalsContact N-OE1 3.11Å; D285-Q288 WeakPolarHBondContact O-CB 3.16Å; D285-Q288 PolarHBondContact O-N 2.92Å
286	H	96.2	Very high	97.2	Very high	28 Å²	28	53.2 Å²	53.2	13%	0.13	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	122.7	-173.7	-164.9	59.5	0	0	0	113.3	S112 G137 D230 V232 V233 Q288	S112-H286 WeakPolarHBondContact CB-NE2 3.26Å; S112-H286 PolarHBondContact OG-NE2 3.22Å; G137-H286 PolarHBondContact O-CE1 3.47Å; D230-H286 IonicContact OD1-CG 3.65Å; D230-H286 IonicContact OD1-ND1 2.74Å; D230-H286 VanDerWaalsContact OD2-CA 3.23Å; D230-H286 WeakPolarHBondContact OD2-CA 3.43Å; D230-H286 VanDerWaalsContact OD2-CB 3.28Å; D230-H286 WeakPolarHBondContact OD2-CB 3.22Å; D230-H286 IonicContact OD2-CE1 3.11Å; D230-H286 IonicContact OD2-CG 3.19Å; D230-H286 VanDerWaalsContact OD2-CG 3.32Å; D230-H286 IonicContact OD2-ND1 2.79Å; D230-H286 PolarHBondContact OD2-ND1 3.15Å; V232-H286 HydrophobicContact CB-CB 3.72Å; V232-H286 HydrophobicContact CG2-CB 3.51Å; V233-H286 VanDerWaalsContact CG2-CE1 3.4Å; V233-H286 WeakPolarHBondContact CG2-CE1 3.37Å; H286-Q288 PolarHBondContact O-N 3.26Å; H286-Q288 VanDerWaalsContact O-N 3.11Å
287	L	96.5	Very high	97.2	Very high	55 Å²	55	53.2 Å²	53.2	29%	0.288	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	14	-178.2	-51.4	-177	0	0	0	114.8	F111 V136 F227 D285 F289	F111-L287 HydrophobicContact CB-CD1 4.3Å; F111-L287 HydrophobicContact CB-CD2 4.46Å; F111-L287 HydrophobicContact CD1-CD2 4.3Å; V136-L287 HydrophobicContact CG1-CD2 3.98Å; V136-L287 VanDerWaalsContact O-CD2 3.27Å; V136-L287 WeakPolarHBondContact O-CD2 3.42Å; F227-L287 HydrophobicContact CE2-CD2 3.95Å; F227-L287 HydrophobicContact CZ-CD2 4.22Å; D285-L287 PolarHBondContact O-N 3.06Å; L287-F289 WeakPolarHBondContact O-CD1 3.36Å; L287-F289 WeakPolarHBondContact O-CE1 3.33Å; L287-F289 PolarHBondContact O-N 3.2Å
288	Q	96.5	Very high	97.1	Very high	121 Å²	121	52.7 Å²	52.7	57%	0.565	28%	0.279	S	S	*	.			trans	-89.4	104.3	175.7	-169	-176.9	21.4	0	0	110.1	F227 D285 H286	F227-Q288 WeakPolarHBondContact CE1-O 3.32Å; D285-Q288 VanDerWaalsContact N-OE1 3.11Å; D285-Q288 WeakPolarHBondContact O-CB 3.16Å; D285-Q288 PolarHBondContact O-N 2.92Å; H286-Q288 PolarHBondContact O-N 3.26Å; H286-Q288 VanDerWaalsContact O-N 3.11Å
289	F	96.4	Very high	97	Very high	46 Å²	46	51.4 Å²	51.4	20%	0.202	27%	0.271	C	S	.	.			trans	-140.9	153.8	174	52.6	-95.1	0	0	0	110.5	I51 F111 V136 F227 T282 L287 W293 F294	I51-F289 HydrophobicContact CD1-CE2 4.23Å; I51-F289 HydrophobicContact CD1-CZ 4.03Å; F111-F289 HydrophobicContact CE1-CE1 4.25Å; F111-F289 HydrophobicContact CE1-CZ 4.02Å; V136-F289 HydrophobicContact CG1-CD1 4.41Å; V136-F289 HydrophobicContact CG1-CE1 3.99Å; F227-F289 HydrophobicContact CE1-CB 4.43Å; F227-F289 AromaticContact CE1-CD1 3.92Å; F227-F289 HydrophobicContact CE1-CD1 3.92Å; F227-F289 AromaticContact CZ-CD1 3.85Å; F227-F289 HydrophobicContact CZ-CD1 3.85Å; F227-F289 HydrophobicContact CZ-CE1 4.45Å; T282-F289 HydrophobicContact CG2-CB 4.46Å; L287-F289 WeakPolarHBondContact O-CD1 3.36Å; L287-F289 WeakPolarHBondContact O-CE1 3.33Å; L287-F289 PolarHBondContact O-N 3.2Å; F289-W293 HydrophobicContact CB-CE3 4.01Å; F289-F294 HydrophobicContact CD2-CB 4.03Å; F289-F294 HydrophobicContact CD2-CD2 4.03Å; F289-F294 HydrophobicContact CE2-CB 4.2Å; F289-F294 AromaticContact CE2-CD2 3.48Å; F289-F294 HydrophobicContact CE2-CD2 3.48Å; F289-F294 VanDerWaalsContact CE2-CD2 3.48Å; F289-F294 HydrophobicContact CE2-CE2 4.31Å; F289-F294 HydrophobicContact CE2-CG 4.24Å; F289-F294 HydrophobicContact CZ-CD2 4.05Å
290	S	96.4	Very high	96.9	Very high	55 Å²	55	52.3 Å²	52.3	39%	0.385	28%	0.283	S	S	.	.			trans	-82.9	158.2	174.9	96	0	0	0	0	111.4	E292 W293 F294	S290-E292 VanDerWaalsContact C-N 3.27Å; S290-E292 WeakPolarHBondContact CB-OE2 3.31Å; S290-E292 PolarHBondContact O-N 3.25Å; S290-E292 PolarHBondContact OG-N 2.88Å; S290-E292 PolarHBondContact OG-OE2 3.43Å; S290-W293 PolarHBondContact O-N 3.07Å; S290-W293 PolarHBondContact OG-N 2.93Å; S290-W293 VanDerWaalsContact OG-N 3.11Å; S290-F294 PolarHBondContact O-N 2.65Å
291	R	95.4	Very high	96.9	Very high	101 Å²	101	53.1 Å²	53.1	38%	0.381	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-39.6	173.9	-179.8	173.2	179.8	157.4	3.5	110.9	M54 E57 E58 W293 F294 T295	M54-R291 HydrophobicContact CE-CB 4.16Å; M54-R291 HydrophobicContact CE-CG 3.8Å; M54-R291 HydrophobicContact SD-CG 4.05Å; E57-R291 IonicContact OE2-CZ 3.6Å; E57-R291 IonicContact OE2-NH1 3.48Å; E57-R291 PolarHBondContact OE2-NH1 2.88Å; E57-R291 VanDerWaalsContact OE2-NH1 3.16Å; E57-R291 IonicContact OE2-NH2 2.87Å; E57-R291 PolarHBondContact OE2-NH2 3.43Å; E58-R291 IonicContact OE1-CZ 3.5Å; E58-R291 IonicContact OE1-NE 3.55Å; E58-R291 IonicContact OE1-NH2 2.82Å; E58-R291 PolarHBondContact OE1-NH2 3.36Å; R291-W293 VanDerWaalsContact C-N 3.35Å; R291-W293 PolarHBondContact O-N 3.39Å; R291-F294 PolarHBondContact O-N 2.89Å; R291-T295 WeakPolarHBondContact O-CB 3.34Å; R291-T295 PolarHBondContact O-N 3.48Å; R291-T295 PolarHBondContact O-OG1 3Å
292	E	96.9	Very high	96.7	Very high	137 Å²	137	50.7 Å²	50.7	64%	0.64	27%	0.268	S	S	*	.	H	α-helix	trans	-61.4	-44.8	178.7	-57.8	71.3	-153.6	0	0	111	S290 T295 A296	S290-E292 VanDerWaalsContact C-N 3.27Å; S290-E292 WeakPolarHBondContact CB-OE2 3.31Å; S290-E292 PolarHBondContact O-N 3.25Å; S290-E292 PolarHBondContact OG-N 2.88Å; S290-E292 PolarHBondContact OG-OE2 3.43Å; E292-T295 PolarHBondContact O-N 2.7Å; E292-A296 VanDerWaalsContact O-CB 3.3Å; E292-A296 WeakPolarHBondContact O-CB 3.41Å; E292-A296 PolarHBondContact O-N 3.42Å
293	W	97.9	Very high	96.1	Very high	42 Å²	42	59.9 Å²	59.9	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-45.9	176.3	-175.4	96.8	0	0	0	111.3	V225 L280 F289 S290 R291 T295 A296 N297 L298	V225-W293 HydrophobicContact CB-CH2 4.41Å; V225-W293 HydrophobicContact CG1-CH2 3.48Å; V225-W293 VanDerWaalsContact CG1-CH2 3.48Å; V225-W293 HydrophobicContact CG1-CZ2 4.2Å; V225-W293 HydrophobicContact CG1-CZ3 4.19Å; V225-W293 HydrophobicContact CG2-CH2 4.02Å; L280-W293 HydrophobicContact CB-CH2 4.47Å; L280-W293 HydrophobicContact CB-CZ2 4.3Å; F289-W293 HydrophobicContact CB-CE3 4.01Å; S290-W293 PolarHBondContact O-N 3.07Å; S290-W293 PolarHBondContact OG-N 2.93Å; S290-W293 VanDerWaalsContact OG-N 3.11Å; R291-W293 VanDerWaalsContact C-N 3.35Å; R291-W293 PolarHBondContact O-N 3.39Å; W293-T295 PolarHBondContact O-N 3.32Å; W293-A296 PolarHBondContact O-N 3.19Å; W293-N297 HydrophobicContact CD2-CB 4.34Å; W293-N297 HydrophobicContact CH2-CB 4.24Å; W293-N297 HydrophobicContact CZ2-CB 4.04Å; W293-N297 PolarHBondContact NE1-ND2 3.47Å; W293-N297 WeakPolarHBondContact O-CB 3.47Å; W293-N297 PolarHBondContact O-N 3.07Å; W293-N297 PolarHBondContact O-ND2 2.89Å; W293-L298 HydrophobicContact CH2-CD2 4.27Å; W293-L298 HydrophobicContact CH2-CG 4.31Å; W293-L298 HydrophobicContact CZ3-CD1 3.92Å; W293-L298 HydrophobicContact CZ3-CD2 4.35Å; W293-L298 HydrophobicContact CZ3-CG 3.9Å
294	F	97.1	Very high	96.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.9	-49.5	177.4	-174.2	-71.9	0	0	0	111.1	M54 M55 M109 F289 S290 R291 A296 N297 L298 L299	M54-F294 HydrophobicContact SD-CD1 3.92Å; M54-F294 HydrophobicContact SD-CE1 4.38Å; M54-F294 HydrophobicContact SD-CG 4.23Å; M55-F294 HydrophobicContact CE-CD1 3.9Å; M55-F294 HydrophobicContact CE-CE1 3.1Å; M55-F294 HydrophobicContact CE-CZ 3.65Å; M55-F294 HydrophobicContact SD-CE1 3.75Å; M55-F294 HydrophobicContact SD-CZ 3.93Å; M109-F294 HydrophobicContact CE-CE2 4.08Å; M109-F294 HydrophobicContact CE-CZ 3.67Å; M109-F294 HydrophobicContact SD-CE2 3.88Å; M109-F294 HydrophobicContact SD-CZ 3.86Å; F289-F294 HydrophobicContact CD2-CB 4.03Å; F289-F294 HydrophobicContact CD2-CD2 4.03Å; F289-F294 HydrophobicContact CE2-CB 4.2Å; F289-F294 AromaticContact CE2-CD2 3.48Å; F289-F294 HydrophobicContact CE2-CD2 3.48Å; F289-F294 VanDerWaalsContact CE2-CD2 3.48Å; F289-F294 HydrophobicContact CE2-CE2 4.31Å; F289-F294 HydrophobicContact CE2-CG 4.24Å; F289-F294 HydrophobicContact CZ-CD2 4.05Å; S290-F294 PolarHBondContact O-N 2.65Å; R291-F294 PolarHBondContact O-N 2.89Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 3.01Å; F294-N297 PolarHBondContact O-N 2.96Å; F294-L298 HydrophobicContact CD1-CB 4.32Å; F294-L298 HydrophobicContact CD2-CB 4.47Å; F294-L298 HydrophobicContact CD2-CD1 3.71Å; F294-L298 HydrophobicContact CD2-CG 4.49Å; F294-L298 HydrophobicContact CE1-CB 4.13Å; F294-L298 HydrophobicContact CE2-CB 4.39Å; F294-L298 HydrophobicContact CE2-CD1 3.69Å; F294-L298 HydrophobicContact CG-CB 4.45Å; F294-L298 HydrophobicContact CG-CD1 4.38Å; F294-L298 HydrophobicContact CZ-CB 4.23Å; F294-L298 HydrophobicContact CZ-CD1 4.3Å; F294-L298 WeakPolarHBondContact O-CA 3.41Å; F294-L298 WeakPolarHBondContact O-CB 3.44Å; F294-L298 PolarHBondContact O-N 2.89Å; F294-L299 HydrophobicContact CD1-CG 4.49Å; F294-L299 HydrophobicContact CE1-CG 4.31Å; F294-L299 PolarHBondContact O-N 2.83Å
295	T	95.9	Very high	96.1	Very high	46 Å²	46	59.7 Å²	59.7	28%	0.282	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-40	-179.1	-73.3	0	0	0	0	111.8	R291 E292 W293 L299	R291-T295 WeakPolarHBondContact O-CB 3.34Å; R291-T295 PolarHBondContact O-N 3.48Å; R291-T295 PolarHBondContact O-OG1 3Å; E292-T295 PolarHBondContact O-N 2.7Å; W293-T295 PolarHBondContact O-N 3.32Å; T295-L299 HydrophobicContact CG2-CD1 3.89Å; T295-L299 WeakPolarHBondContact O-CB 3.48Å
296	A	97.6	Very high	96.1	Very high	66 Å²	66	60.2 Å²	60.2	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-72.4	-35.9	180	0	0	0	0	0	113	E292 W293 F294 P300	E292-A296 VanDerWaalsContact O-CB 3.3Å; E292-A296 WeakPolarHBondContact O-CB 3.41Å; E292-A296 PolarHBondContact O-N 3.42Å; W293-A296 PolarHBondContact O-N 3.19Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 3.01Å; A296-P300 WeakPolarHBondContact O-CG 3.24Å
297	N	98.3	Very high	96.1	Very high	54 Å²	54	62.1 Å²	62.1	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-109.6	-28.8	-166.6	-64.2	-79.7	0	0	0	114.7	L280 W293 F294 F301	L280-N297 HydrophobicContact CD1-CB 4.17Å; W293-N297 HydrophobicContact CD2-CB 4.34Å; W293-N297 HydrophobicContact CH2-CB 4.24Å; W293-N297 HydrophobicContact CZ2-CB 4.04Å; W293-N297 PolarHBondContact NE1-ND2 3.47Å; W293-N297 WeakPolarHBondContact O-CB 3.47Å; W293-N297 PolarHBondContact O-N 3.07Å; W293-N297 PolarHBondContact O-ND2 2.89Å; F294-N297 PolarHBondContact O-N 2.96Å; N297-F301 WeakPolarHBondContact O-CD2 3.24Å; N297-F301 WeakPolarHBondContact O-CE2 3.37Å
298	L	98.1	Very high	96.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-38.7	-175.3	-60	-170.9	0	0	0	113.6	M109 I134 V136 V223 V225 L280 W293 F294 P300 F301	M109-L298 HydrophobicContact CE-CB 4.46Å; M109-L298 HydrophobicContact CE-CD1 4.33Å; I134-L298 HydrophobicContact CG2-CD1 4.27Å; I134-L298 HydrophobicContact CG2-CD2 3.96Å; V136-L298 HydrophobicContact CG2-CD1 4.18Å; V223-L298 HydrophobicContact CG1-CD2 4.31Å; V225-L298 HydrophobicContact CG2-CD1 4.43Å; V225-L298 HydrophobicContact CG2-CD2 3.84Å; L280-L298 HydrophobicContact CD1-CD2 3.66Å; W293-L298 HydrophobicContact CH2-CD2 4.27Å; W293-L298 HydrophobicContact CH2-CG 4.31Å; W293-L298 HydrophobicContact CZ3-CD1 3.92Å; W293-L298 HydrophobicContact CZ3-CD2 4.35Å; W293-L298 HydrophobicContact CZ3-CG 3.9Å; F294-L298 HydrophobicContact CD1-CB 4.32Å; F294-L298 HydrophobicContact CD2-CB 4.47Å; F294-L298 HydrophobicContact CD2-CD1 3.71Å; F294-L298 HydrophobicContact CD2-CG 4.49Å; F294-L298 HydrophobicContact CE1-CB 4.13Å; F294-L298 HydrophobicContact CE2-CB 4.39Å; F294-L298 HydrophobicContact CE2-CD1 3.69Å; F294-L298 HydrophobicContact CG-CB 4.45Å; F294-L298 HydrophobicContact CG-CD1 4.38Å; F294-L298 HydrophobicContact CZ-CB 4.23Å; F294-L298 HydrophobicContact CZ-CD1 4.3Å; F294-L298 WeakPolarHBondContact O-CA 3.41Å; F294-L298 WeakPolarHBondContact O-CB 3.44Å; F294-L298 PolarHBondContact O-N 2.89Å; L298-P300 VanDerWaalsContact C-N 3.33Å; L298-F301 WeakPolarHBondContact O-CB 3.49Å; L298-F301 PolarHBondContact O-N 3.13Å; L298-F301 VanDerWaalsContact O-N 3.08Å
299	L	96.3	Very high	96.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56.4	-35.3	177.1	-85.6	175.9	0	0	0	115	M55 E58 I59 F294 T295 F301 L302 R303	M55-L299 HydrophobicContact CE-CD2 3.95Å; M55-L299 HydrophobicContact CE-CG 4.41Å; M55-L299 HydrophobicContact SD-CD2 3.91Å; E58-L299 HydrophobicContact CB-CD1 3.58Å; E58-L299 HydrophobicContact CB-CD2 3.94Å; E58-L299 HydrophobicContact CB-CG 4.42Å; E58-L299 HydrophobicContact CG-CD1 3.77Å; I59-L299 HydrophobicContact CD1-CD2 3.66Å; I59-L299 HydrophobicContact CG1-CD2 3.78Å; F294-L299 HydrophobicContact CD1-CG 4.49Å; F294-L299 HydrophobicContact CE1-CG 4.31Å; F294-L299 PolarHBondContact O-N 2.83Å; T295-L299 HydrophobicContact CG2-CD1 3.89Å; T295-L299 WeakPolarHBondContact O-CB 3.48Å; L299-F301 PolarHBondContact O-N 3.15Å; L299-F301 VanDerWaalsContact O-N 3.07Å; L299-L302 PolarHBondContact O-N 3.28Å; L299-R303 PolarHBondContact O-N 3.35Å
300	P	97.3	Very high	96.1	Very high	81 Å²	81	59.5 Å²	59.5	53%	0.526	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.1	-21.3	176.6	-27.4	36.6	0	0	0	114.4	A296 L298	A296-P300 WeakPolarHBondContact O-CG 3.24Å; L298-P300 VanDerWaalsContact C-N 3.33Å
301	F	97.5	Very high	96	Very high	47 Å²	47	59.8 Å²	59.8	21%	0.206	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-88	-7.4	177.1	-63.4	-71.3	0	0	0	114	T132 I134 K221 V223 V278 L280 N297 L298 L299	T132-F301 HydrophobicContact CG2-CB 4.27Å; I134-F301 HydrophobicContact CD1-CB 3.94Å; K221-F301 HydrophobicContact CB-CD1 4.45Å; K221-F301 HydrophobicContact CD-CE1 4.5Å; K221-F301 HydrophobicContact CG-CD1 4.22Å; K221-F301 HydrophobicContact CG-CE1 4.38Å; V223-F301 HydrophobicContact CG1-CE2 4.25Å; V223-F301 HydrophobicContact CG2-CD1 3.84Å; V223-F301 HydrophobicContact CG2-CD2 3.93Å; V223-F301 HydrophobicContact CG2-CE1 3.94Å; V223-F301 HydrophobicContact CG2-CE2 4.01Å; V223-F301 HydrophobicContact CG2-CG 3.85Å; V223-F301 HydrophobicContact CG2-CZ 4.03Å; V278-F301 HydrophobicContact CB-CZ 4.45Å; V278-F301 HydrophobicContact CG1-CZ 3.92Å; V278-F301 HydrophobicContact CG2-CE1 4.15Å; V278-F301 HydrophobicContact CG2-CZ 4.23Å; L280-F301 HydrophobicContact CD1-CE2 4.24Å; N297-F301 WeakPolarHBondContact O-CD2 3.24Å; N297-F301 WeakPolarHBondContact O-CE2 3.37Å; L298-F301 WeakPolarHBondContact O-CB 3.49Å; L298-F301 PolarHBondContact O-N 3.13Å; L298-F301 VanDerWaalsContact O-N 3.08Å; L299-F301 PolarHBondContact O-N 3.15Å; L299-F301 VanDerWaalsContact O-N 3.07Å
302	L	95.4	Very high	96.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-9.1	-175.6	-62.2	178.5	0	0	0	113.3	L32 M55 I59 N107 M109 I134 L299	L32-L302 HydrophobicContact CD1-CD2 3.85Å; L32-L302 HydrophobicContact CD2-CD1 4.05Å; M55-L302 HydrophobicContact SD-CD1 3.73Å; I59-L302 HydrophobicContact CD1-CB 3.77Å; N107-L302 HydrophobicContact CB-CD2 3.71Å; M109-L302 HydrophobicContact CE-CD1 3.84Å; I134-L302 HydrophobicContact CD1-CD1 4.41Å; I134-L302 HydrophobicContact CD1-CD2 3.79Å; I134-L302 HydrophobicContact CD1-CG 3.96Å; L299-L302 PolarHBondContact O-N 3.28Å
303	R	84.8	Confident	96	Very high	204 Å²	204	49.1 Å²	49.1	77%	0.77	25%	0.252	S	S	*	.			trans	-90.8	0	177.5	-72.5	-177.7	173.9	163.6	1.2	112.6	E58 I59 L299	E58-R303 PolarHBondContact O-NH2 3.14Å; I59-R303 HydrophobicContact CD1-CG 4.24Å; I59-R303 HydrophobicContact CG1-CG 4.35Å; L299-R303 PolarHBondContact O-N 3.35Å

Retrieved 303 of 303 residues in 456.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).