A0A087XFM7_POEFO Loading...

Anti-silencing function 1B histone chaperone

AlphaFold DB , UniProt , Accession A0A087XFM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 199 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	71.5	Confident	93.9	Very high	202 Å²	202	53.2 Å²	53.2	100%	0.995	29%	0.294	S	S	*	.				0	142.4	0	-171.1	176.8	-75.8	0	0	107.2	K3 M31	M1-K3 PolarHBondContact O-N 3.06Å; M1-M31 HydrophobicContact SD-SD 4.29Å
2	A	86.6	Confident	94.2	Very high	50 Å²	50	53.7 Å²	53.7	41%	0.413	30%	0.295	S	S	.	.			trans	-66.6	127.6	177.5	0	0	0	0	0	109.8	V4 W153	A2-V4 VanDerWaalsContact C-N 3.35Å; A2-W153 HydrophobicContact CB-CZ2 4.02Å
3	K	94.4	Very high	94.5	Very high	19 Å²	19	55.3 Å²	55.3	8%	0.083	30%	0.303	C	S	.	.	S	Bend	trans	-80.1	-20.7	-180	-60.9	-176.2	177.9	-171.3	0	112.4	M1 C30 M31 E32 L34 W153 E154	M1-K3 PolarHBondContact O-N 3.06Å; K3-C30 WeakPolarHBondContact O-CA 3.14Å; K3-M31 PolarHBondContact O-N 3.28Å; K3-E32 HydrophobicContact CB-CG 4.4Å; K3-E32 HydrophobicContact CD-CG 3.86Å; K3-E32 WeakPolarHBondContact CD-OE1 3.36Å; K3-E32 WeakPolarHBondContact CE-OE1 3.18Å; K3-E32 HydrophobicContact CG-CG 4.21Å; K3-E32 IonicContact NZ-OE1 3.76Å; K3-E32 PolarHBondContact NZ-OE1 2.62Å; K3-L34 HydrophobicContact CB-CD2 4.1Å; K3-L34 HydrophobicContact CD-CD2 3.86Å; K3-W153 HydrophobicContact CB-CD2 3.92Å; K3-W153 HydrophobicContact CB-CE3 3.67Å; K3-W153 HydrophobicContact CB-CH2 4.43Å; K3-W153 HydrophobicContact CB-CZ3 3.94Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.08Å; K3-W153 HydrophobicContact CD-CE3 3.99Å; K3-W153 HydrophobicContact CD-CG 3.98Å; K3-W153 VanDerWaalsContact CE-CB 3.45Å; K3-W153 HydrophobicContact CG-CB 4.12Å; K3-W153 HydrophobicContact CG-CD2 3.79Å; K3-W153 HydrophobicContact CG-CE3 3.92Å; K3-W153 HydrophobicContact CG-CG 3.88Å; K3-E154 VanDerWaalsContact CE-OE1 3.28Å; K3-E154 WeakPolarHBondContact CE-OE1 3.15Å; K3-E154 IonicContact NZ-OE1 3.01Å; K3-E154 PolarHBondContact NZ-OE1 3.22Å; K3-E154 IonicContact NZ-OE2 2.6Å; K3-E154 PolarHBondContact NZ-OE2 3.01Å
4	V	96.6	Very high	94.7	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.3	178.1	-177.9	0	0	0	0	110.1	A2 F28 E29 L34 L38 F106 W153	A2-V4 VanDerWaalsContact C-N 3.35Å; V4-F28 HydrophobicContact CG1-CB 4.4Å; V4-F28 HydrophobicContact CG1-CD2 3.84Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; V4-E29 CarbonylContact C-O 3.57Å; V4-E29 WeakPolarHBondContact CA-O 3.47Å; V4-L34 HydrophobicContact CG2-CD1 3.51Å; V4-L38 HydrophobicContact CG1-CD1 4.25Å; V4-L38 HydrophobicContact CG2-CD1 4.09Å; V4-L38 HydrophobicContact CG2-CD2 4.15Å; V4-F106 HydrophobicContact CB-CE2 3.9Å; V4-F106 HydrophobicContact CB-CZ 3.87Å; V4-F106 HydrophobicContact CG1-CE2 4.08Å; V4-F106 HydrophobicContact CG1-CZ 3.91Å; V4-F106 HydrophobicContact CG2-CZ 4.49Å; V4-W153 HydrophobicContact CB-CH2 3.9Å; V4-W153 HydrophobicContact CB-CZ3 4.33Å; V4-W153 HydrophobicContact CG2-CH2 3.89Å; V4-W153 HydrophobicContact CG2-CZ3 3.8Å
5	Q	96.4	Very high	94.9	Very high	81 Å²	81	55.9 Å²	55.9	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.5	174.7	-177.5	173.9	-9.6	0	0	110.3	L7 F28 E29	Q5-L7 HydrophobicContact CG-CD2 4.21Å; Q5-L7 PolarHBondContact O-N 2.82Å; Q5-F28 CarbonylContact O-C 3.5Å; Q5-F28 VanDerWaalsContact O-CA 3.27Å; Q5-F28 WeakPolarHBondContact O-CA 3.48Å; Q5-F28 WeakPolarHBondContact O-CB 3.35Å; Q5-E29 PolarHBondContact N-O 2.85Å; Q5-E29 PolarHBondContact O-N 2.93Å
6	V	97.6	Very high	95.1	Very high	17 Å²	17	52.5 Å²	52.5	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.7	170.4	-174.3	0	0	0	0	109	V9 I26 F28 W40 I107 I109	V6-V9 HydrophobicContact CG1-CG2 3.84Å; V6-I26 HydrophobicContact CG1-CG2 4.49Å; V6-F28 HydrophobicContact CG2-CB 4.4Å; V6-W40 HydrophobicContact CG2-CH2 3.71Å; V6-W40 HydrophobicContact CG2-CZ3 4.34Å; V6-I107 HydrophobicContact CB-CD1 3.91Å; V6-I107 HydrophobicContact CG2-CD1 3.69Å; V6-I107 HydrophobicContact CG2-CG2 4.18Å; V6-I109 HydrophobicContact CB-CD1 4.42Å; V6-I109 HydrophobicContact CG1-CD1 3.93Å
7	L	97.7	Very high	95.3	Very high	61 Å²	61	53.5 Å²	53.5	32%	0.319	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-42.5	-177	-59.9	-175.9	0	0	0	111.7	Q5 T27 E29 R69	Q5-L7 HydrophobicContact CG-CD2 4.21Å; Q5-L7 PolarHBondContact O-N 2.82Å; L7-T27 HydrophobicContact CB-CG2 4.24Å; L7-T27 HydrophobicContact CD1-CG2 4.23Å; L7-T27 PolarHBondContact N-O 3.49Å; L7-E29 HydrophobicContact CD1-CB 4Å; L7-E29 HydrophobicContact CD2-CB 4.24Å; L7-E29 HydrophobicContact CG-CB 4.13Å; L7-R69 HydrophobicContact CD1-CG 4.07Å
8	N	97.3	Very high	95.5	Very high	82 Å²	82	50.7 Å²	50.7	44%	0.439	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	149.6	-178.7	-172.1	38.7	0	0	0	111.1	T27	N8-T27 PolarHBondContact N-O 3.13Å; N8-T27 VanDerWaalsContact N-O 3.1Å; N8-T27 PolarHBondContact O-N 3.4Å
9	V	98.3	Very high	95.6	Very high	15 Å²	15	51.1 Å²	51.1	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	108.3	166.8	-179.9	0	0	0	0	107.3	V6 F24 E25 I26 I97 I109 Y111	V6-V9 HydrophobicContact CG1-CG2 3.84Å; V9-F24 HydrophobicContact CG1-CB 4.13Å; V9-F24 HydrophobicContact CG1-CD1 4Å; V9-F24 HydrophobicContact CG1-CG 4.41Å; V9-E25 WeakPolarHBondContact CA-O 3.41Å; V9-I26 HydrophobicContact CG1-CG1 4.36Å; V9-I26 HydrophobicContact CG2-CG1 4.37Å; V9-I26 HydrophobicContact CG2-CG2 4.5Å; V9-I97 HydrophobicContact CG1-CD1 3.78Å; V9-I109 HydrophobicContact CG2-CD1 3.64Å; V9-Y111 WeakPolarHBondContact CB-OH 3.46Å; V9-Y111 HydrophobicContact CG1-CE2 4.21Å; V9-Y111 PolarHBondContact O-OH 3.01Å
10	A	98.3	Very high	95.7	Very high	28 Å²	28	51.2 Å²	51.2	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.6	175.3	0	0	0	0	0	109.6	L12 F24 E25	A10-L12 HydrophobicContact CB-CD2 4.4Å; A10-F24 CarbonylContact O-C 3.56Å; A10-F24 WeakPolarHBondContact O-CA 3.37Å; A10-E25 HydrophobicContact CB-CB 4.24Å; A10-E25 PolarHBondContact N-O 2.9Å; A10-E25 PolarHBondContact O-N 3.2Å
11	V	98.3	Very high	95.8	Very high	26 Å²	26	50.3 Å²	50.3	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.6	173.1	-172.7	0	0	0	0	108.3	N14 F24 Y111 I139 A141	V11-N14 HydrophobicContact CG1-CB 3.96Å; V11-F24 HydrophobicContact CB-CD1 4.5Å; V11-F24 HydrophobicContact CB-CE1 4.5Å; V11-F24 HydrophobicContact CG1-CE1 4.21Å; V11-F24 HydrophobicContact CG2-CD1 4.04Å; V11-F24 HydrophobicContact CG2-CE1 3.89Å; V11-Y111 HydrophobicContact CG2-CD1 4.39Å; V11-Y111 HydrophobicContact CG2-CE1 3.96Å; V11-Y111 HydrophobicContact CG2-CE2 4.4Å; V11-I139 HydrophobicContact CG1-CB 4.04Å; V11-I139 HydrophobicContact CG1-CD1 3.73Å; V11-I139 HydrophobicContact CG1-CG1 4.42Å; V11-I139 HydrophobicContact CG1-CG2 4.11Å; V11-I139 HydrophobicContact CG2-CG2 4.18Å; V11-A141 HydrophobicContact CB-CB 3.86Å; V11-A141 HydrophobicContact CG2-CB 3.58Å
12	L	98	Very high	97.1	Very high	59 Å²	59	40.7 Å²	40.7	31%	0.309	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-99.5	162.6	178.3	-47.7	-179.5	0	0	0	110	A10 N14 Q23 E25 V73	A10-L12 HydrophobicContact CB-CD2 4.4Å; L12-N14 PolarHBondContact O-N 3.05Å; L12-Q23 HydrophobicContact CB-CB 3.82Å; L12-Q23 HydrophobicContact CD1-CB 4.42Å; L12-Q23 HydrophobicContact CG-CB 4.49Å; L12-Q23 PolarHBondContact N-O 2.95Å; L12-E25 HydrophobicContact CD1-CB 4.27Å; L12-E25 HydrophobicContact CD2-CB 4.47Å; L12-V73 HydrophobicContact CD1-CG1 4.39Å
13	D	97.3	Very high	97.7	Very high	75 Å²	75	40.6 Å²	40.6	40%	0.401	24%	0.24	S	C	.	.	S	Bend	trans	47.5	58.1	178.2	-166.3	37.8	0	0	0	113.8	S16 N20	D13-S16 WeakPolarHBondContact O-CB 3.37Å; D13-S16 PolarHBondContact O-OG 2.95Å; D13-N20 PolarHBondContact OD2-ND2 3.33Å
14	N	97.7	Very high	97.9	Very high	53 Å²	53	39.7 Å²	39.7	28%	0.283	24%	0.236	S	C	.	.			trans	-137.1	131.6	-175.2	-176.3	66.7	0	0	0	112.5	V11 L12 N138 I139	V11-N14 HydrophobicContact CG1-CB 3.96Å; L12-N14 PolarHBondContact O-N 3.05Å; N14-N138 PolarHBondContact ND2-OD1 3.37Å; N14-I139 PolarHBondContact ND2-O 3.04Å; N14-I139 PolarHBondContact OD1-N 3.39Å
15	P	97.8	Very high	98	Very high	66 Å²	66	42.2 Å²	42.2	43%	0.429	25%	0.248	S	C	.	.	S	Bend	cis	-70.7	157.7	-6.2	32.4	-36.5	0	0	0	112.3	Q136 R137 N138	P15-Q136 HydrophobicContact CB-CG 4.02Å; P15-R137 WeakPolarHBondContact CA-O 3.27Å; P15-R137 WeakPolarHBondContact CB-O 3.41Å; P15-N138 HydrophobicContact CB-CB 4.04Å
16	S	98.3	Very high	98.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	162.3	-178.2	46.3	0	0	0	0	112.2	D13 R137	D13-S16 WeakPolarHBondContact O-CB 3.37Å; D13-S16 PolarHBondContact O-OG 2.95Å; S16-R137 PolarHBondContact N-O 3.28Å; S16-R137 PolarHBondContact O-N 2.81Å
17	P	98.4	Very high	98.1	Very high	70 Å²	70	37.9 Å²	37.9	46%	0.455	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	146.2	171.4	-25.7	34.6	0	0	0	111.9	G19 N20	P17-G19 PolarHBondContact O-N 2.98Å; P17-N20 WeakPolarHBondContact O-CB 3.5Å; P17-N20 PolarHBondContact O-N 3.49Å
18	F	98.2	Very high	98.1	Very high	3 Å²	3	35 Å²	35	1%	0.013	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.6	-178.3	-178.9	-83.9	0	0	0	113	N20 A78 P79 T81 I84 Y132 L135 R137	F18-N20 PolarHBondContact O-N 3.05Å; F18-A78 WeakPolarHBondContact O-CB 3.5Å; F18-P79 HydrophobicContact CE1-CG 4.01Å; F18-P79 HydrophobicContact CE2-CG 4.48Å; F18-P79 HydrophobicContact CZ-CG 3.6Å; F18-T81 HydrophobicContact CD1-CG2 4.24Å; F18-T81 HydrophobicContact CE1-CG2 3.55Å; F18-T81 HydrophobicContact CZ-CG2 4.32Å; F18-I84 HydrophobicContact CZ-CD1 3.8Å; F18-Y132 AromaticContact CD1-CD1 3.66Å; F18-Y132 HydrophobicContact CD1-CD1 3.66Å; F18-Y132 HydrophobicContact CD1-CG 4.31Å; F18-Y132 HydrophobicContact CD2-CD1 4.16Å; F18-Y132 AromaticContact CE1-CD1 3.5Å; F18-Y132 HydrophobicContact CE1-CD1 3.5Å; F18-Y132 VanDerWaalsContact CE1-CD1 3.5Å; F18-Y132 HydrophobicContact CE1-CE1 4.04Å; F18-Y132 HydrophobicContact CE1-CG 4.35Å; F18-Y132 AromaticContact CE2-CD1 3.97Å; F18-Y132 HydrophobicContact CE2-CD1 3.97Å; F18-Y132 HydrophobicContact CE2-CE1 4.15Å; F18-Y132 HydrophobicContact CG-CD1 4Å; F18-Y132 AromaticContact CZ-CD1 3.64Å; F18-Y132 HydrophobicContact CZ-CD1 3.64Å; F18-Y132 AromaticContact CZ-CE1 3.77Å; F18-Y132 HydrophobicContact CZ-CE1 3.77Å; F18-L135 HydrophobicContact CB-CB 3.87Å; F18-L135 HydrophobicContact CG-CB 4.49Å; F18-L135 PolarHBondContact N-O 3.37Å; F18-R137 PolarHBondContact O-NH1 2.82Å; F18-R137 VanDerWaalsContact O-NH1 3.1Å
19	G	97.6	Very high	98.2	Very high	57 Å²	57	35 Å²	35	59%	0.588	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-5.9	179.1	0	0	0	0	0	115	P17	P17-G19 PolarHBondContact O-N 2.98Å
20	N	98.2	Very high	98.1	Very high	54 Å²	54	34.3 Å²	34.3	29%	0.289	21%	0.205	S	C	.	.	S	Bend	trans	-72.3	145.6	175.7	-83.9	26.6	0	0	0	110.9	D13 P17 F18 R137	D13-N20 PolarHBondContact OD2-ND2 3.33Å; P17-N20 WeakPolarHBondContact O-CB 3.5Å; P17-N20 PolarHBondContact O-N 3.49Å; F18-N20 PolarHBondContact O-N 3.05Å; N20-R137 PolarHBondContact O-NH1 2.83Å; N20-R137 PolarHBondContact O-NH2 2.86Å
21	P	98.5	Very high	98	Very high	32 Å²	32	37.7 Å²	37.7	21%	0.208	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-55.1	147.4	171	-25.2	34.9	0	0	0	112.5	Q75 A76 R137	P21-Q75 HydrophobicContact CB-CG 3.79Å; P21-A76 CarbonylContact C-O 3.48Å; P21-A76 WeakPolarHBondContact CA-O 3.27Å; P21-A76 VanDerWaalsContact CB-O 3.28Å; P21-A76 WeakPolarHBondContact CB-O 3.4Å; P21-R137 PolarHBondContact O-NH2 3.27Å
22	F	98.6	Very high	97.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	140.4	162.7	-72.5	-93.9	0	0	0	109.3	F24 Y44 L57 Q75 A76 V95 R137 I139	F22-F24 HydrophobicContact CB-CD2 4.45Å; F22-F24 HydrophobicContact CB-CE2 3.82Å; F22-F24 HydrophobicContact CB-CZ 4.48Å; F22-F24 HydrophobicContact CD1-CE2 4.08Å; F22-F24 AromaticContact CD1-CZ 3.96Å; F22-F24 HydrophobicContact CD1-CZ 3.96Å; F22-F24 HydrophobicContact CG-CE2 4.34Å; F22-Y44 HydrophobicContact CE2-CD2 4.19Å; F22-Y44 AromaticContact CZ-CD2 3.75Å; F22-Y44 HydrophobicContact CZ-CD2 3.75Å; F22-Y44 HydrophobicContact CZ-CE2 4.05Å; F22-L57 HydrophobicContact CD2-CD1 3.39Å; F22-L57 HydrophobicContact CE2-CD1 3.5Å; F22-L57 HydrophobicContact CG-CD1 4.27Å; F22-L57 HydrophobicContact CZ-CD1 4.44Å; F22-Q75 WeakPolarHBondContact O-CA 3.4Å; F22-Q75 WeakPolarHBondContact O-CG 3.4Å; F22-A76 PolarHBondContact N-O 2.84Å; F22-A76 PolarHBondContact O-N 2.81Å; F22-V95 HydrophobicContact CD1-CG2 4.16Å; F22-V95 HydrophobicContact CE1-CB 4.07Å; F22-V95 HydrophobicContact CE1-CG1 4.1Å; F22-V95 HydrophobicContact CE1-CG2 3.93Å; F22-V95 HydrophobicContact CZ-CG2 4.37Å; F22-R137 VanDerWaalsContact CZ-CD 3.44Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.72Å; F22-I139 HydrophobicContact CE1-CG1 4.42Å
23	Q	98.4	Very high	97.7	Very high	48 Å²	48	43 Å²	43	22%	0.224	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	118.1	178.2	-69.2	177.6	61.3	0	0	110	L12 Q75	L12-Q23 HydrophobicContact CB-CB 3.82Å; L12-Q23 HydrophobicContact CD1-CB 4.42Å; L12-Q23 HydrophobicContact CG-CB 4.49Å; L12-Q23 PolarHBondContact N-O 2.95Å; Q23-Q75 HydrophobicContact CG-CB 4.24Å; Q23-Q75 HydrophobicContact CG-CG 3.85Å
24	F	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.1	178.3	-59.1	-77.4	0	0	0	110.2	V9 A10 V11 F22 I26 I42 V73 F74 V95 I97 Y111 I139	V9-F24 HydrophobicContact CG1-CB 4.13Å; V9-F24 HydrophobicContact CG1-CD1 4Å; V9-F24 HydrophobicContact CG1-CG 4.41Å; A10-F24 CarbonylContact O-C 3.56Å; A10-F24 WeakPolarHBondContact O-CA 3.37Å; V11-F24 HydrophobicContact CB-CD1 4.5Å; V11-F24 HydrophobicContact CB-CE1 4.5Å; V11-F24 HydrophobicContact CG1-CE1 4.21Å; V11-F24 HydrophobicContact CG2-CD1 4.04Å; V11-F24 HydrophobicContact CG2-CE1 3.89Å; F22-F24 HydrophobicContact CB-CD2 4.45Å; F22-F24 HydrophobicContact CB-CE2 3.82Å; F22-F24 HydrophobicContact CB-CZ 4.48Å; F22-F24 HydrophobicContact CD1-CE2 4.08Å; F22-F24 AromaticContact CD1-CZ 3.96Å; F22-F24 HydrophobicContact CD1-CZ 3.96Å; F22-F24 HydrophobicContact CG-CE2 4.34Å; F24-I26 HydrophobicContact CB-CG1 4.21Å; F24-I42 HydrophobicContact CD2-CD1 3.75Å; F24-I42 HydrophobicContact CD2-CG1 4.22Å; F24-I42 HydrophobicContact CE2-CD1 4.02Å; F24-I42 HydrophobicContact CE2-CG1 4.25Å; F24-I42 HydrophobicContact CE2-CG2 4.27Å; F24-V73 CarbonylContact O-C 3.55Å; F24-V73 WeakPolarHBondContact O-CA 3.34Å; F24-F74 PolarHBondContact N-O 2.77Å; F24-F74 PolarHBondContact O-N 3.41Å; F24-V95 HydrophobicContact CZ-CG1 4.11Å; F24-V95 HydrophobicContact CZ-CG2 4.46Å; F24-I97 HydrophobicContact CB-CD1 4.09Å; F24-I97 HydrophobicContact CD1-CD1 3.67Å; F24-I97 HydrophobicContact CD2-CD1 3.76Å; F24-I97 HydrophobicContact CD2-CG1 4.24Å; F24-I97 HydrophobicContact CE1-CD1 3.94Å; F24-I97 HydrophobicContact CE2-CD1 4.01Å; F24-I97 HydrophobicContact CE2-CG1 4.19Å; F24-I97 HydrophobicContact CG-CD1 3.57Å; F24-I97 HydrophobicContact CZ-CD1 4.1Å; F24-I97 HydrophobicContact CZ-CG1 4.45Å; F24-Y111 HydrophobicContact CE1-CD2 4.22Å; F24-Y111 HydrophobicContact CE1-CE2 4.23Å; F24-I139 HydrophobicContact CZ-CD1 4.37Å
25	E	98.5	Very high	97.4	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.6	166.5	-175.8	-175.6	84.6	0	0	108.7	V9 A10 L12 M71 V73	V9-E25 WeakPolarHBondContact CA-O 3.41Å; A10-E25 HydrophobicContact CB-CB 4.24Å; A10-E25 PolarHBondContact N-O 2.9Å; A10-E25 PolarHBondContact O-N 3.2Å; L12-E25 HydrophobicContact CD1-CB 4.27Å; L12-E25 HydrophobicContact CD2-CB 4.47Å; E25-M71 HydrophobicContact CG-CG 3.89Å; E25-M71 HydrophobicContact CG-SD 4.04Å; E25-V73 HydrophobicContact CB-CG2 4.5Å; E25-V73 HydrophobicContact CG-CG2 4.5Å
26	I	98.5	Very high	97.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.3	-176.6	-59.1	177.8	0	0	0	108.3	V6 V9 F24 F28 W40 M71 F72 F74 I97	V6-I26 HydrophobicContact CG1-CG2 4.49Å; V9-I26 HydrophobicContact CG1-CG1 4.36Å; V9-I26 HydrophobicContact CG2-CG1 4.37Å; V9-I26 HydrophobicContact CG2-CG2 4.5Å; F24-I26 HydrophobicContact CB-CG1 4.21Å; I26-F28 HydrophobicContact CG2-CD1 4.35Å; I26-W40 HydrophobicContact CD1-CE3 3.82Å; I26-W40 HydrophobicContact CD1-CZ3 3.93Å; I26-W40 HydrophobicContact CG2-CH2 3.6Å; I26-W40 HydrophobicContact CG2-CZ2 4.24Å; I26-W40 HydrophobicContact CG2-CZ3 3.77Å; I26-M71 VanDerWaalsContact O-CA 3.27Å; I26-M71 WeakPolarHBondContact O-CA 3.39Å; I26-F72 HydrophobicContact CB-CD1 4.31Å; I26-F72 HydrophobicContact CB-CE1 3.87Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.45Å; I26-F72 HydrophobicContact CD1-CZ 3.96Å; I26-F72 HydrophobicContact CG2-CE1 4.02Å; I26-F72 PolarHBondContact N-O 2.92Å; I26-F72 PolarHBondContact O-N 3.41Å; I26-F74 HydrophobicContact CD1-CB 4.01Å; I26-F74 HydrophobicContact CD1-CD1 3.94Å; I26-I97 HydrophobicContact CD1-CG2 3.99Å
27	T	98.4	Very high	97.2	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.7	170.4	-54.1	0	0	0	0	109.7	L7 N8 R69 H70	L7-T27 HydrophobicContact CB-CG2 4.24Å; L7-T27 HydrophobicContact CD1-CG2 4.23Å; L7-T27 PolarHBondContact N-O 3.49Å; N8-T27 PolarHBondContact N-O 3.13Å; N8-T27 VanDerWaalsContact N-O 3.1Å; N8-T27 PolarHBondContact O-N 3.4Å; T27-R69 HydrophobicContact CG2-CG 4.12Å; T27-R69 VanDerWaalsContact CG2-NE 3.33Å; T27-H70 WeakPolarHBondContact CA-O 3.32Å
28	F	98.2	Very high	97.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.9	177.6	69.1	-88.5	0	0	0	111.3	V4 Q5 V6 I26 L38 W40 V62 V65 R69 H70 F72	V4-F28 HydrophobicContact CG1-CB 4.4Å; V4-F28 HydrophobicContact CG1-CD2 3.84Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; Q5-F28 CarbonylContact O-C 3.5Å; Q5-F28 VanDerWaalsContact O-CA 3.27Å; Q5-F28 WeakPolarHBondContact O-CA 3.48Å; Q5-F28 WeakPolarHBondContact O-CB 3.35Å; V6-F28 HydrophobicContact CG2-CB 4.4Å; I26-F28 HydrophobicContact CG2-CD1 4.35Å; F28-L38 HydrophobicContact CE2-CD1 3.98Å; F28-L38 HydrophobicContact CZ-CD1 4.27Å; F28-W40 HydrophobicContact CD1-CH2 4.45Å; F28-W40 AromaticContact CD1-CZ2 3.87Å; F28-W40 HydrophobicContact CD1-CZ2 3.87Å; F28-W40 HydrophobicContact CE1-CZ2 4.2Å; F28-W40 HydrophobicContact CG-CZ2 4.22Å; F28-V62 HydrophobicContact CZ-CG1 4.34Å; F28-V65 HydrophobicContact CE2-CG1 3.88Å; F28-V65 HydrophobicContact CZ-CG1 4.32Å; F28-R69 WeakPolarHBondContact O-CA 3.46Å; F28-H70 HydrophobicContact CD1-CB 4.2Å; F28-H70 HydrophobicContact CD2-CB 4.34Å; F28-H70 HydrophobicContact CE1-CB 3.7Å; F28-H70 HydrophobicContact CE2-CB 3.86Å; F28-H70 AromaticContact CE2-CD2 3.66Å; F28-H70 HydrophobicContact CZ-CB 3.52Å; F28-H70 AromaticContact CZ-CG 4Å; F28-H70 PolarHBondContact N-O 2.77Å; F28-H70 PolarHBondContact O-N 2.9Å; F28-H70 VanDerWaalsContact O-O 3.14Å; F28-F72 HydrophobicContact CD1-CD1 4.46Å; F28-F72 HydrophobicContact CD1-CE1 4.16Å; F28-F72 AromaticContact CE1-CD1 3.93Å; F28-F72 HydrophobicContact CE1-CD1 3.93Å; F28-F72 AromaticContact CE1-CE1 3.76Å; F28-F72 HydrophobicContact CE1-CE1 3.76Å
29	E	97.7	Very high	97.2	Very high	80 Å²	80	44.3 Å²	44.3	37%	0.374	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.1	177.1	-179.4	170.7	-147.1	0	0	109.5	V4 Q5 L7 G68	V4-E29 CarbonylContact C-O 3.57Å; V4-E29 WeakPolarHBondContact CA-O 3.47Å; Q5-E29 PolarHBondContact N-O 2.85Å; Q5-E29 PolarHBondContact O-N 2.93Å; L7-E29 HydrophobicContact CD1-CB 4Å; L7-E29 HydrophobicContact CD2-CB 4.24Å; L7-E29 HydrophobicContact CG-CB 4.13Å; E29-G68 CarbonylContact C-O 3.6Å; E29-G68 WeakPolarHBondContact CA-O 3.48Å
30	C	96.9	Very high	97.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123	173.6	-153.5	0	0	0	0	108.6	K3 E32 L34 V65 A67 G68	K3-C30 WeakPolarHBondContact O-CA 3.14Å; C30-E32 VanDerWaalsContact C-N 3.33Å; C30-E32 PolarHBondContact SG-O 2.9Å; C30-L34 VanDerWaalsContact SG-CG 3.59Å; C30-V65 HydrophobicContact CB-CG1 4Å; C30-A67 WeakPolarHBondContact O-CA 3.39Å; C30-G68 PolarHBondContact N-O 3.06Å; C30-G68 PolarHBondContact O-N 2.93Å
31	M	95.6	Very high	97.3	Very high	98 Å²	98	41.6 Å²	41.6	48%	0.483	21%	0.212	S	C	.	.	S	Bend	trans	-74	-27.7	-176.4	-62.2	-175.6	-174.9	0	0	112.6	M1 K3	M1-M31 HydrophobicContact SD-SD 4.29Å; K3-M31 PolarHBondContact O-N 3.28Å
32	E	95	Very high	97.3	Very high	86 Å²	86	40 Å²	40	40%	0.402	20%	0.202	S	C	.	.	S	Bend	trans	-148.6	168.1	-179.8	58	176.8	-127.3	0	0	110.2	K3 C30 L34	K3-E32 HydrophobicContact CB-CG 4.4Å; K3-E32 HydrophobicContact CD-CG 3.86Å; K3-E32 WeakPolarHBondContact CD-OE1 3.36Å; K3-E32 WeakPolarHBondContact CE-OE1 3.18Å; K3-E32 HydrophobicContact CG-CG 4.21Å; K3-E32 IonicContact NZ-OE1 3.76Å; K3-E32 PolarHBondContact NZ-OE1 2.62Å; C30-E32 VanDerWaalsContact C-N 3.33Å; C30-E32 PolarHBondContact SG-O 2.9Å; E32-L34 PolarHBondContact O-N 3.04Å
33	D	95.3	Very high	97.3	Very high	111 Å²	111	41.2 Å²	41.2	59%	0.594	21%	0.208	S	C	*	.			trans	-66.9	125.5	-179.7	-62	-21.7	0	0	0	110.9	P66 A67	D33-P66 VanDerWaalsContact OD1-CA 3.32Å; D33-P66 WeakPolarHBondContact OD1-CA 3.23Å; D33-A67 PolarHBondContact OD1-N 3.42Å
34	L	95.3	Very high	97.3	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-94.2	124	170.9	-61.2	177.9	0	0	0	110.3	K3 V4 C30 E32 E36 L38 V65 Y101 W153	K3-L34 HydrophobicContact CB-CD2 4.1Å; K3-L34 HydrophobicContact CD-CD2 3.86Å; V4-L34 HydrophobicContact CG2-CD1 3.51Å; C30-L34 VanDerWaalsContact SG-CG 3.59Å; E32-L34 PolarHBondContact O-N 3.04Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-L38 HydrophobicContact CD1-CD1 4.44Å; L34-L38 HydrophobicContact CD1-CD2 3.95Å; L34-L38 HydrophobicContact CD1-CG 4.21Å; L34-V65 HydrophobicContact CB-CB 4.16Å; L34-V65 HydrophobicContact CD1-CB 4.38Å; L34-V65 PolarHBondContact N-O 3.02Å; L34-V65 PolarHBondContact O-N 3.27Å; L34-Y101 HydrophobicContact CB-CE2 4.13Å; L34-Y101 HydrophobicContact CD1-CD2 4.33Å; L34-Y101 HydrophobicContact CD1-CE2 4.16Å; L34-Y101 HydrophobicContact CD2-CE1 4.43Å; L34-Y101 HydrophobicContact CD2-CE2 4.36Å; L34-Y101 HydrophobicContact CG-CE2 4.46Å; L34-W153 HydrophobicContact CD1-CZ3 4.38Å; L34-W153 HydrophobicContact CD2-CE3 4.21Å; L34-W153 HydrophobicContact CD2-CZ3 4.44Å
35	P	94.1	Very high	97.3	Very high	95 Å²	95	40 Å²	40	62%	0.617	20%	0.204	S	C	*	.	S	Bend	trans	-74.1	-23.2	179.5	29.7	-36.6	0	0	0	113.6	Y101	P35-Y101 WeakPolarHBondContact CD-OH 3.35Å
36	E	94.9	Very high	97.2	Very high	84 Å²	84	37.3 Å²	37.3	39%	0.393	19%	0.192	S	C	.	.	S	Bend	trans	-112.6	166.5	-179	-74.2	177.6	-120.2	0	0	111.8	L34 Y101 R102	L34-E36 VanDerWaalsContact C-N 3.33Å; E36-Y101 HydrophobicContact CB-CE2 3.7Å; E36-Y101 WeakPolarHBondContact O-CE2 3.21Å; E36-R102 IonicContact OE1-CZ 2.73Å; E36-R102 IonicContact OE1-NE 2.79Å; E36-R102 PolarHBondContact OE1-NE 3.2Å; E36-R102 IonicContact OE1-NH2 3.66Å; E36-R102 PolarHBondContact OE1-NH2 3.3Å; E36-R102 WeakPolarHBondContact OE2-CG 3.47Å; E36-R102 IonicContact OE2-NE 2.71Å
37	D	96.7	Very high	97.1	Very high	66 Å²	66	37.5 Å²	37.5	35%	0.353	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-77.8	145.1	-176.3	-58.1	-14.1	0	0	0	111.5	L61 G63	D37-L61 HydrophobicContact CB-CB 4.12Å; D37-L61 HydrophobicContact CB-CD2 4.29Å; D37-G63 VanDerWaalsContact OD1-C 3.22Å; D37-G63 WeakPolarHBondContact OD1-CA 3.13Å
38	L	97.7	Very high	96.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.7	160.8	-63.6	173.8	0	0	0	108.6	V4 F28 L34 L61 V62 V65 T100 Y101 F106	V4-L38 HydrophobicContact CG1-CD1 4.25Å; V4-L38 HydrophobicContact CG2-CD1 4.09Å; V4-L38 HydrophobicContact CG2-CD2 4.15Å; F28-L38 HydrophobicContact CE2-CD1 3.98Å; F28-L38 HydrophobicContact CZ-CD1 4.27Å; L34-L38 HydrophobicContact CD1-CD1 4.44Å; L34-L38 HydrophobicContact CD1-CD2 3.95Å; L34-L38 HydrophobicContact CD1-CG 4.21Å; L38-L61 CarbonylContact O-C 3.59Å; L38-L61 WeakPolarHBondContact O-CA 3.45Å; L38-V62 PolarHBondContact N-O 3.2Å; L38-V62 PolarHBondContact O-N 2.64Å; L38-V65 HydrophobicContact CD1-CG2 4.11Å; L38-V65 HydrophobicContact CG-CG2 4.17Å; L38-T100 WeakPolarHBondContact CA-O 3.28Å; L38-Y101 HydrophobicContact CD2-CD2 3.84Å; L38-Y101 HydrophobicContact CD2-CG 4.21Å; L38-F106 HydrophobicContact CD2-CE1 3.92Å; L38-F106 HydrophobicContact CD2-CZ 4.23Å
39	E	98.4	Very high	96.4	Very high	48 Å²	48	50.2 Å²	50.2	22%	0.224	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.8	171.8	-174	-168.2	-140.9	0	0	109.1	K41 S59 V60 L61 C99 T100	E39-K41 WeakPolarHBondContact OE1-CE 3.45Å; E39-K41 IonicContact OE1-NZ 2.83Å; E39-K41 PolarHBondContact OE1-NZ 2.92Å; E39-K41 WeakPolarHBondContact OE2-CE 3.39Å; E39-K41 IonicContact OE2-NZ 2.75Å; E39-K41 PolarHBondContact OE2-NZ 2.78Å; E39-S59 PolarHBondContact OE1-OG 3.42Å; E39-V60 WeakPolarHBondContact CA-O 3.35Å; E39-L61 HydrophobicContact CB-CD2 3.69Å; E39-L61 HydrophobicContact CG-CD2 3.85Å; E39-C99 CarbonylContact O-C 3.59Å; E39-C99 WeakPolarHBondContact O-CA 3.38Å; E39-T100 WeakPolarHBondContact CB-OG1 3.14Å; E39-T100 PolarHBondContact N-O 3.3Å; E39-T100 PolarHBondContact O-N 3.02Å; E39-T100 PolarHBondContact OE2-OG1 3.31Å
40	W	98.6	Very high	96.2	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.8	175.6	-64.6	81.5	0	0	0	109.8	V6 I26 F28 S59 V60 F72 F74 I97 T98 C99	V6-W40 HydrophobicContact CG2-CH2 3.71Å; V6-W40 HydrophobicContact CG2-CZ3 4.34Å; I26-W40 HydrophobicContact CD1-CE3 3.82Å; I26-W40 HydrophobicContact CD1-CZ3 3.93Å; I26-W40 HydrophobicContact CG2-CH2 3.6Å; I26-W40 HydrophobicContact CG2-CZ2 4.24Å; I26-W40 HydrophobicContact CG2-CZ3 3.77Å; F28-W40 HydrophobicContact CD1-CH2 4.45Å; F28-W40 AromaticContact CD1-CZ2 3.87Å; F28-W40 HydrophobicContact CD1-CZ2 3.87Å; F28-W40 HydrophobicContact CE1-CZ2 4.2Å; F28-W40 HydrophobicContact CG-CZ2 4.22Å; W40-S59 CarbonylContact O-C 3.59Å; W40-S59 WeakPolarHBondContact O-CA 3.5Å; W40-V60 HydrophobicContact CB-CG2 3.84Å; W40-V60 PolarHBondContact N-O 3.46Å; W40-V60 PolarHBondContact O-N 3.32Å; W40-F72 HydrophobicContact CD2-CZ 4.03Å; W40-F72 HydrophobicContact CG-CZ 4Å; W40-F72 HydrophobicContact CZ2-CE1 4.44Å; W40-F74 HydrophobicContact CB-CD1 4.09Å; W40-F74 HydrophobicContact CB-CE1 3.58Å; W40-F74 HydrophobicContact CB-CZ 4.29Å; W40-F74 WeakPolarHBondContact O-CZ 3.42Å; W40-I97 HydrophobicContact CE3-CG2 3.96Å; W40-I97 HydrophobicContact CZ3-CG2 4.26Å; W40-T98 WeakPolarHBondContact CA-O 3.47Å; W40-C99 HydrophobicContact CD2-CB 3.87Å; W40-C99 VanDerWaalsContact CD2-SG 3.57Å; W40-C99 HydrophobicContact CE3-CB 3.7Å; W40-C99 HydrophobicContact CH2-CB 4Å; W40-C99 HydrophobicContact CZ2-CB 4.15Å; W40-C99 VanDerWaalsContact CZ2-SG 3.54Å; W40-C99 HydrophobicContact CZ3-CB 3.77Å
41	K	98.8	Very high	96.1	Very high	52 Å²	52	55.4 Å²	55.4	23%	0.226	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.4	176.5	-71.4	169.7	170.9	147.6	0	111.1	E39 I43 V56 D58 S59 I97 T98	E39-K41 WeakPolarHBondContact OE1-CE 3.45Å; E39-K41 IonicContact OE1-NZ 2.83Å; E39-K41 PolarHBondContact OE1-NZ 2.92Å; E39-K41 WeakPolarHBondContact OE2-CE 3.39Å; E39-K41 IonicContact OE2-NZ 2.75Å; E39-K41 PolarHBondContact OE2-NZ 2.78Å; K41-I43 HydrophobicContact CB-CD1 4.47Å; K41-I43 HydrophobicContact CB-CG1 4.18Å; K41-V56 HydrophobicContact CB-CG1 4.42Å; K41-V56 HydrophobicContact CD-CG1 4.39Å; K41-V56 HydrophobicContact CG-CG1 4.26Å; K41-D58 WeakPolarHBondContact CA-O 3.48Å; K41-S59 VanDerWaalsContact CE-OG 3.22Å; K41-S59 WeakPolarHBondContact CE-OG 3.14Å; K41-S59 WeakPolarHBondContact CG-OG 3.37Å; K41-I97 VanDerWaalsContact O-CA 3.31Å; K41-I97 WeakPolarHBondContact O-CA 3.42Å; K41-T98 PolarHBondContact N-O 3.11Å; K41-T98 PolarHBondContact O-N 3.2Å
42	I	98.8	Very high	96.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125	163.5	-64.5	165	0	0	0	107	F24 V56 L57 D58 F74 A76 V95 L96 I97	F24-I42 HydrophobicContact CD2-CD1 3.75Å; F24-I42 HydrophobicContact CD2-CG1 4.22Å; F24-I42 HydrophobicContact CE2-CD1 4.02Å; F24-I42 HydrophobicContact CE2-CG1 4.25Å; F24-I42 HydrophobicContact CE2-CG2 4.27Å; I42-V56 CarbonylContact O-C 3.57Å; I42-L57 HydrophobicContact CB-CB 4.36Å; I42-L57 HydrophobicContact CG2-CB 4.18Å; I42-L57 HydrophobicContact CG2-CD1 3.78Å; I42-L57 HydrophobicContact CG2-CG 4.17Å; I42-L57 PolarHBondContact O-N 2.79Å; I42-D58 PolarHBondContact N-O 2.83Å; I42-D58 VanDerWaalsContact N-O 3.1Å; I42-F74 HydrophobicContact CD1-CB 4.49Å; I42-F74 HydrophobicContact CD1-CD1 3.82Å; I42-F74 HydrophobicContact CD1-CD2 3.95Å; I42-F74 HydrophobicContact CD1-CE1 3.94Å; I42-F74 HydrophobicContact CD1-CE2 4.05Å; I42-F74 HydrophobicContact CD1-CG 3.82Å; I42-F74 HydrophobicContact CD1-CZ 4.05Å; I42-F74 HydrophobicContact CG1-CD1 3.84Å; I42-F74 HydrophobicContact CG1-CE1 3.61Å; I42-F74 HydrophobicContact CG1-CE2 4.45Å; I42-F74 HydrophobicContact CG1-CG 4.37Å; I42-F74 HydrophobicContact CG1-CZ 3.93Å; I42-A76 HydrophobicContact CB-CB 4.27Å; I42-A76 HydrophobicContact CD1-CB 3.68Å; I42-V95 HydrophobicContact CG2-CG2 3.8Å; I42-L96 CarbonylContact C-O 3.56Å; I42-L96 WeakPolarHBondContact CA-O 3.47Å; I42-I97 HydrophobicContact CG1-CG1 4.44Å
43	I	98.8	Very high	96.2	Very high	25 Å²	25	59.7 Å²	59.7	13%	0.128	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.4	-177.3	-48.8	173.6	0	0	0	108.2	K41 D54 Q55 V56 V95 L96 T98	K41-I43 HydrophobicContact CB-CD1 4.47Å; K41-I43 HydrophobicContact CB-CG1 4.18Å; I43-D54 HydrophobicContact CG2-CB 4.02Å; I43-Q55 CarbonylContact C-O 3.4Å; I43-Q55 WeakPolarHBondContact CA-O 3.33Å; I43-V56 HydrophobicContact CG1-CG2 4.34Å; I43-V95 CarbonylContact O-C 3.6Å; I43-V95 WeakPolarHBondContact O-CA 3.27Å; I43-V95 WeakPolarHBondContact O-CG2 3.39Å; I43-L96 HydrophobicContact CB-CB 4.24Å; I43-L96 PolarHBondContact N-O 2.87Å; I43-L96 PolarHBondContact O-N 2.67Å; I43-T98 HydrophobicContact CD1-CG2 4.1Å
44	Y	98.7	Very high	96.3	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.5	173.9	-174.6	-89.4	0	0	0	109.8	F22 G46 D54 Q55 P79 I84 T93 N115	F22-Y44 HydrophobicContact CE2-CD2 4.19Å; F22-Y44 AromaticContact CZ-CD2 3.75Å; F22-Y44 HydrophobicContact CZ-CD2 3.75Å; F22-Y44 HydrophobicContact CZ-CE2 4.05Å; Y44-G46 PolarHBondContact O-N 3.46Å; Y44-D54 WeakPolarHBondContact O-CA 3.47Å; Y44-Q55 PolarHBondContact N-O 2.77Å; Y44-Q55 PolarHBondContact O-N 3.35Å; Y44-P79 HydrophobicContact CD1-CB 3.82Å; Y44-P79 HydrophobicContact CD1-CG 3.85Å; Y44-P79 HydrophobicContact CD2-CG 3.98Å; Y44-P79 HydrophobicContact CE1-CB 4.3Å; Y44-P79 HydrophobicContact CE1-CG 3.95Å; Y44-P79 HydrophobicContact CE2-CG 4.06Å; Y44-P79 HydrophobicContact CG-CB 3.95Å; Y44-P79 HydrophobicContact CG-CG 3.85Å; Y44-I84 HydrophobicContact CE1-CD1 3.81Å; Y44-I84 HydrophobicContact CE1-CG1 4.4Å; Y44-T93 HydrophobicContact CE1-CG2 4.28Å; Y44-T93 HydrophobicContact CE2-CG2 3.93Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.38Å; Y44-N115 PolarHBondContact OH-ND2 3.47Å
45	V	98.5	Very high	96.5	Very high	22 Å²	22	57.7 Å²	57.7	13%	0.133	30%	0.3	C	S	.	.			trans	-80.3	111	176.9	178.6	0	0	0	0	108.6	S47 D54 T93 V94 L96	V45-S47 VanDerWaalsContact CG1-O 3.27Å; V45-S47 WeakPolarHBondContact CG1-O 3.31Å; V45-D54 WeakPolarHBondContact CA-OD1 3.21Å; V45-T93 PolarHBondContact O-OG1 3.44Å; V45-V94 HydrophobicContact CB-CB 4.27Å; V45-V94 WeakPolarHBondContact CB-O 3.45Å; V45-V94 HydrophobicContact CG2-CB 3.98Å; V45-V94 HydrophobicContact CG2-CG1 4.42Å; V45-V94 PolarHBondContact N-O 2.77Å; V45-L96 HydrophobicContact CG2-CD1 4.3Å; V45-L96 HydrophobicContact CG2-CG 4.4Å
46	G	96.8	Very high	96.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.01	30%	0.295	C	S	.	.	S	Bend	trans	-74.5	-31.6	-177.6	0	0	0	0	0	113.2	Y44 Y53	Y44-G46 PolarHBondContact O-N 3.46Å; G46-Y53 WeakPolarHBondContact CA-O 3.34Å; G46-Y53 PolarHBondContact N-O 2.99Å
47	S	95.2	Very high	96.9	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.028	28%	0.284	C	S	.	.			trans	-149.1	142.3	176.8	-176.6	0	0	0	0	110.1	V45 E49 D88	V45-S47 VanDerWaalsContact CG1-O 3.27Å; V45-S47 WeakPolarHBondContact CG1-O 3.31Å; S47-E49 PolarHBondContact O-N 3.23Å; S47-E49 PolarHBondContact OG-N 2.92Å; S47-D88 WeakPolarHBondContact CB-OD2 3.36Å; S47-D88 PolarHBondContact OG-OD2 3.35Å
48	A	90.8	Very high	96.9	Very high	95 Å²	95	54.5 Å²	54.5	79%	0.785	28%	0.283	S	S	*	.	S	Bend	trans	-71.6	-15.3	174.5	0	0	0	0	0	112.8
49	E	92.1	Very high	97	Very high	179 Å²	179	56.8 Å²	56.8	84%	0.836	30%	0.299	S	S	*	.	S	Bend	trans	-88.6	-22.5	-175	-59.3	-170.3	164.4	0	0	113.2	S47	S47-E49 PolarHBondContact O-N 3.23Å; S47-E49 PolarHBondContact OG-N 2.92Å
50	S	92.8	Very high	96.9	Very high	33 Å²	33	56.3 Å²	56.3	23%	0.231	30%	0.299	C	S	.	.			trans	-154.3	129.8	-175.5	178.9	0	0	0	0	112.7	E52 Y53	S50-E52 PolarHBondContact O-N 2.96Å; S50-E52 WeakPolarHBondContact OG-CB 3.35Å; S50-E52 WeakPolarHBondContact OG-CG 3.2Å; S50-E52 PolarHBondContact OG-N 3.1Å; S50-Y53 PolarHBondContact O-N 2.85Å
51	E	94.4	Very high	96.9	Very high	159 Å²	159	61.7 Å²	61.7	74%	0.743	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-68.1	-11.3	172.8	-60	-176.7	166.7	0	0	112.4	Y53 D54	E51-Y53 PolarHBondContact O-N 2.74Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.33Å; E51-D54 PolarHBondContact O-N 2.96Å
52	E	96.3	Very high	96.7	Very high	175 Å²	175	61.2 Å²	61.2	82%	0.818	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-63.8	-20.7	176.3	-63.6	178.4	172.4	0	0	112.8	S50	S50-E52 PolarHBondContact O-N 2.96Å; S50-E52 WeakPolarHBondContact OG-CB 3.35Å; S50-E52 WeakPolarHBondContact OG-CG 3.2Å; S50-E52 PolarHBondContact OG-N 3.1Å
53	Y	97.2	Very high	96.4	Very high	98 Å²	98	62.9 Å²	62.9	38%	0.384	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-93.1	0.8	176.1	-58.4	-76.1	0	0	0	112.9	G46 S50 E51 Q55 L83 P85	G46-Y53 WeakPolarHBondContact CA-O 3.34Å; G46-Y53 PolarHBondContact N-O 2.99Å; S50-Y53 PolarHBondContact O-N 2.85Å; E51-Y53 PolarHBondContact O-N 2.74Å; Y53-Q55 PolarHBondContact O-N 2.76Å; Y53-L83 VanDerWaalsContact CD1-O 3.31Å; Y53-L83 WeakPolarHBondContact CD1-O 3.42Å; Y53-P85 HydrophobicContact CD1-CG 3.89Å; Y53-P85 HydrophobicContact CD2-CG 4.19Å; Y53-P85 HydrophobicContact CE1-CG 3.8Å; Y53-P85 HydrophobicContact CE2-CG 4.12Å; Y53-P85 HydrophobicContact CG-CG 4.07Å
54	D	98.1	Very high	95.9	Very high	52 Å²	52	66.4 Å²	66.4	28%	0.278	37%	0.371	S	S	.	.			trans	-67.6	131.7	177.2	-74.1	5	0	0	0	110.3	I43 Y44 V45 E51	I43-D54 HydrophobicContact CG2-CB 4.02Å; Y44-D54 WeakPolarHBondContact O-CA 3.47Å; V45-D54 WeakPolarHBondContact CA-OD1 3.21Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.33Å; E51-D54 PolarHBondContact O-N 2.96Å
55	Q	98.6	Very high	95.7	Very high	22 Å²	22	66.6 Å²	66.6	10%	0.103	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.5	-178	-60.6	-176	50.2	0	0	109.3	I43 Y44 Y53 L57 N80	I43-Q55 CarbonylContact C-O 3.4Å; I43-Q55 WeakPolarHBondContact CA-O 3.33Å; Y44-Q55 PolarHBondContact N-O 2.77Å; Y44-Q55 PolarHBondContact O-N 3.35Å; Y53-Q55 PolarHBondContact O-N 2.76Å; Q55-L57 HydrophobicContact CB-CD2 4.08Å; Q55-L57 PolarHBondContact O-N 3.16Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; Q55-N80 PolarHBondContact NE2-O 3.01Å
56	V	98.6	Very high	95.6	Very high	86 Å²	86	68.8 Å²	68.8	52%	0.521	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	107.5	166.4	-175.8	0	0	0	0	107.4	K41 I42 I43	K41-V56 HydrophobicContact CB-CG1 4.42Å; K41-V56 HydrophobicContact CD-CG1 4.39Å; K41-V56 HydrophobicContact CG-CG1 4.26Å; I42-V56 CarbonylContact O-C 3.57Å; I43-V56 HydrophobicContact CG1-CG2 4.34Å
57	L	98.6	Very high	95.6	Very high	30 Å²	30	71.1 Å²	71.1	16%	0.157	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-41.9	-176.8	-55	-171	0	0	0	111.4	F22 I42 Q55 A76 D77 P79	F22-L57 HydrophobicContact CD2-CD1 3.39Å; F22-L57 HydrophobicContact CE2-CD1 3.5Å; F22-L57 HydrophobicContact CG-CD1 4.27Å; F22-L57 HydrophobicContact CZ-CD1 4.44Å; I42-L57 HydrophobicContact CB-CB 4.36Å; I42-L57 HydrophobicContact CG2-CB 4.18Å; I42-L57 HydrophobicContact CG2-CD1 3.78Å; I42-L57 HydrophobicContact CG2-CG 4.17Å; I42-L57 PolarHBondContact O-N 2.79Å; Q55-L57 HydrophobicContact CB-CD2 4.08Å; Q55-L57 PolarHBondContact O-N 3.16Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; L57-A76 HydrophobicContact CB-CB 3.69Å; L57-D77 WeakPolarHBondContact CD1-O 3.31Å; L57-P79 HydrophobicContact CD2-CB 3.86Å
58	D	98.3	Very high	95.7	Very high	62 Å²	62	72.3 Å²	72.3	33%	0.332	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	158.8	173.3	-162.6	12.2	0	0	0	111.1	K41 I42 F74 A76	K41-D58 WeakPolarHBondContact CA-O 3.48Å; I42-D58 PolarHBondContact N-O 2.83Å; I42-D58 VanDerWaalsContact N-O 3.1Å; D58-F74 HydrophobicContact CB-CE2 3.99Å; D58-F74 HydrophobicContact CB-CZ 4.36Å; D58-A76 HydrophobicContact CB-CB 3.55Å
59	S	98.1	Very high	96.1	Very high	48 Å²	48	75.9 Å²	75.9	34%	0.336	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	115.5	178.9	-172.7	0	0	0	0	110.1	E39 W40 K41	E39-S59 PolarHBondContact OE1-OG 3.42Å; W40-S59 CarbonylContact O-C 3.59Å; W40-S59 WeakPolarHBondContact O-CA 3.5Å; K41-S59 VanDerWaalsContact CE-OG 3.22Å; K41-S59 WeakPolarHBondContact CE-OG 3.14Å; K41-S59 WeakPolarHBondContact CG-OG 3.37Å
60	V	97.8	Very high	96.4	Very high	38 Å²	38	69.7 Å²	69.7	23%	0.23	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.4	-177.8	-60.8	0	0	0	0	111.5	E39 W40 F72 F74	E39-V60 WeakPolarHBondContact CA-O 3.35Å; W40-V60 HydrophobicContact CB-CG2 3.84Å; W40-V60 PolarHBondContact N-O 3.46Å; W40-V60 PolarHBondContact O-N 3.32Å; V60-F72 HydrophobicContact CG2-CE2 4.29Å; V60-F74 HydrophobicContact CB-CE2 4.13Å; V60-F74 HydrophobicContact CB-CZ 4.37Å; V60-F74 HydrophobicContact CG1-CD2 4.15Å; V60-F74 HydrophobicContact CG1-CE2 3.52Å; V60-F74 HydrophobicContact CG1-CZ 4.15Å; V60-F74 HydrophobicContact CG2-CD1 4.35Å; V60-F74 HydrophobicContact CG2-CD2 3.91Å; V60-F74 HydrophobicContact CG2-CE1 4Å; V60-F74 HydrophobicContact CG2-CE2 3.55Å; V60-F74 HydrophobicContact CG2-CG 4.32Å; V60-F74 HydrophobicContact CG2-CZ 3.59Å
61	L	97.3	Very high	96.6	Very high	113 Å²	113	73.7 Å²	73.7	59%	0.592	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	130.8	173.4	-63	177	0	0	0	109.4	D37 L38 E39	D37-L61 HydrophobicContact CB-CB 4.12Å; D37-L61 HydrophobicContact CB-CD2 4.29Å; L38-L61 CarbonylContact O-C 3.59Å; L38-L61 WeakPolarHBondContact O-CA 3.45Å; E39-L61 HydrophobicContact CB-CD2 3.69Å; E39-L61 HydrophobicContact CG-CD2 3.85Å
62	V	95.8	Very high	96.7	Very high	42 Å²	42	68.3 Å²	68.3	26%	0.255	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	103.7	176.5	-177.7	0	0	0	0	107.7	F28 L38 V65 F72	F28-V62 HydrophobicContact CZ-CG1 4.34Å; L38-V62 PolarHBondContact N-O 3.2Å; L38-V62 PolarHBondContact O-N 2.64Å; V62-V65 HydrophobicContact CG1-CG2 4.34Å; V62-V65 WeakPolarHBondContact O-CG2 3.22Å; V62-F72 HydrophobicContact CG2-CZ 4.3Å
63	G	91.3	Very high	96.8	Very high	36 Å²	36	63.6 Å²	63.6	37%	0.371	36%	0.357	S	S	.	.			trans	178.7	175.8	172.2	0	0	0	0	0	114.8	D37	D37-G63 VanDerWaalsContact OD1-C 3.22Å; D37-G63 WeakPolarHBondContact OD1-CA 3.13Å
64	P	88.9	Confident	96.9	Very high	98 Å²	98	59.1 Å²	59.1	64%	0.636	34%	0.34	S	S	*	.	S	Bend	cis	-63.4	147.2	-7.5	27.3	-34.3	0	0	0	111.7	P66	P64-P66 WeakPolarHBondContact O-CD 3.26Å
65	V	95.1	Very high	96.9	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.03	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-105.7	105.4	-169.6	-174.2	0	0	0	0	110.3	F28 C30 L34 L38 V62	F28-V65 HydrophobicContact CE2-CG1 3.88Å; F28-V65 HydrophobicContact CZ-CG1 4.32Å; C30-V65 HydrophobicContact CB-CG1 4Å; L34-V65 HydrophobicContact CB-CB 4.16Å; L34-V65 HydrophobicContact CD1-CB 4.38Å; L34-V65 PolarHBondContact N-O 3.02Å; L34-V65 PolarHBondContact O-N 3.27Å; L38-V65 HydrophobicContact CD1-CG2 4.11Å; L38-V65 HydrophobicContact CG-CG2 4.17Å; V62-V65 HydrophobicContact CG1-CG2 4.34Å; V62-V65 WeakPolarHBondContact O-CG2 3.22Å
66	P	96.4	Very high	96.9	Very high	68 Å²	68	60.3 Å²	60.3	44%	0.442	34%	0.344	S	S	.	.			trans	-70.3	159.1	176.8	28.2	-32.5	0	0	0	111.6	D33 P64 H70	D33-P66 VanDerWaalsContact OD1-CA 3.32Å; D33-P66 WeakPolarHBondContact OD1-CA 3.23Å; P64-P66 WeakPolarHBondContact O-CD 3.26Å; P66-H70 PolarHBondContact O-NE2 2.8Å
67	A	97.3	Very high	96.9	Very high	51 Å²	51	61.8 Å²	61.8	42%	0.421	35%	0.349	S	S	.	.	S	Bend	trans	-58.2	143.8	172.9	0	0	0	0	0	111.3	C30 D33	C30-A67 WeakPolarHBondContact O-CA 3.39Å; D33-A67 PolarHBondContact OD1-N 3.42Å
68	G	97.3	Very high	96.8	Very high	29 Å²	29	61.7 Å²	61.7	30%	0.299	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	121.8	-169.3	179.2	0	0	0	0	0	113.4	E29 C30 H70	E29-G68 CarbonylContact C-O 3.6Å; E29-G68 WeakPolarHBondContact CA-O 3.48Å; C30-G68 PolarHBondContact N-O 3.06Å; C30-G68 PolarHBondContact O-N 2.93Å; G68-H70 PolarHBondContact O-CD2 2.82Å
69	R	97.9	Very high	96.8	Very high	169 Å²	169	59.1 Å²	59.1	64%	0.638	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	130.6	-175.5	-176.6	174.1	175	149.8	-3.1	110.9	L7 T27 F28	L7-R69 HydrophobicContact CD1-CG 4.07Å; T27-R69 HydrophobicContact CG2-CG 4.12Å; T27-R69 VanDerWaalsContact CG2-NE 3.33Å; F28-R69 WeakPolarHBondContact O-CA 3.46Å
70	H	97.8	Very high	96.8	Very high	50 Å²	50	61.2 Å²	61.2	23%	0.231	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.4	-177.8	-59.3	-66.1	0	0	0	110.6	T27 F28 P66 G68	T27-H70 WeakPolarHBondContact CA-O 3.32Å; F28-H70 HydrophobicContact CD1-CB 4.2Å; F28-H70 HydrophobicContact CD2-CB 4.34Å; F28-H70 HydrophobicContact CE1-CB 3.7Å; F28-H70 HydrophobicContact CE2-CB 3.86Å; F28-H70 AromaticContact CE2-CD2 3.66Å; F28-H70 HydrophobicContact CZ-CB 3.52Å; F28-H70 AromaticContact CZ-CG 4Å; F28-H70 PolarHBondContact N-O 2.77Å; F28-H70 PolarHBondContact O-N 2.9Å; F28-H70 VanDerWaalsContact O-O 3.14Å; P66-H70 PolarHBondContact O-NE2 2.8Å; G68-H70 PolarHBondContact O-CD2 2.82Å
71	M	97.6	Very high	96.8	Very high	117 Å²	117	62 Å²	62	58%	0.576	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.3	176.6	-176.6	-168.4	78.3	0	0	109.3	E25 I26	E25-M71 HydrophobicContact CG-CG 3.89Å; E25-M71 HydrophobicContact CG-SD 4.04Å; I26-M71 VanDerWaalsContact O-CA 3.27Å; I26-M71 WeakPolarHBondContact O-CA 3.39Å
72	F	97.6	Very high	96.8	Very high	45 Å²	45	59.8 Å²	59.8	20%	0.197	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.7	173	71.9	-75.6	0	0	0	110.9	I26 F28 W40 V60 V62 F74	I26-F72 HydrophobicContact CB-CD1 4.31Å; I26-F72 HydrophobicContact CB-CE1 3.87Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.45Å; I26-F72 HydrophobicContact CD1-CZ 3.96Å; I26-F72 HydrophobicContact CG2-CE1 4.02Å; I26-F72 PolarHBondContact N-O 2.92Å; I26-F72 PolarHBondContact O-N 3.41Å; F28-F72 HydrophobicContact CD1-CD1 4.46Å; F28-F72 HydrophobicContact CD1-CE1 4.16Å; F28-F72 AromaticContact CE1-CD1 3.93Å; F28-F72 HydrophobicContact CE1-CD1 3.93Å; F28-F72 AromaticContact CE1-CE1 3.76Å; F28-F72 HydrophobicContact CE1-CE1 3.76Å; W40-F72 HydrophobicContact CD2-CZ 4.03Å; W40-F72 HydrophobicContact CG-CZ 4Å; W40-F72 HydrophobicContact CZ2-CE1 4.44Å; V60-F72 HydrophobicContact CG2-CE2 4.29Å; V62-F72 HydrophobicContact CG2-CZ 4.3Å; F72-F74 HydrophobicContact CD2-CB 4.2Å; F72-F74 HydrophobicContact CE2-CB 3.64Å; F72-F74 HydrophobicContact CE2-CD1 4.33Å; F72-F74 AromaticContact CE2-CG 3.99Å; F72-F74 HydrophobicContact CE2-CG 3.99Å; F72-F74 HydrophobicContact CZ-CB 4.4Å
73	V	98.1	Very high	96.8	Very high	77 Å²	77	62.4 Å²	62.4	47%	0.467	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.1	171.5	177.9	0	0	0	0	108.1	L12 F24 E25	L12-V73 HydrophobicContact CD1-CG1 4.39Å; F24-V73 CarbonylContact O-C 3.55Å; F24-V73 WeakPolarHBondContact O-CA 3.34Å; E25-V73 HydrophobicContact CB-CG2 4.5Å; E25-V73 HydrophobicContact CG-CG2 4.5Å
74	F	98.2	Very high	97.1	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.8	174.3	-164.5	-174.7	0	0	0	109	F24 I26 W40 I42 D58 V60 F72	F24-F74 PolarHBondContact N-O 2.77Å; F24-F74 PolarHBondContact O-N 3.41Å; I26-F74 HydrophobicContact CD1-CB 4.01Å; I26-F74 HydrophobicContact CD1-CD1 3.94Å; W40-F74 HydrophobicContact CB-CD1 4.09Å; W40-F74 HydrophobicContact CB-CE1 3.58Å; W40-F74 HydrophobicContact CB-CZ 4.29Å; W40-F74 WeakPolarHBondContact O-CZ 3.42Å; I42-F74 HydrophobicContact CD1-CB 4.49Å; I42-F74 HydrophobicContact CD1-CD1 3.82Å; I42-F74 HydrophobicContact CD1-CD2 3.95Å; I42-F74 HydrophobicContact CD1-CE1 3.94Å; I42-F74 HydrophobicContact CD1-CE2 4.05Å; I42-F74 HydrophobicContact CD1-CG 3.82Å; I42-F74 HydrophobicContact CD1-CZ 4.05Å; I42-F74 HydrophobicContact CG1-CD1 3.84Å; I42-F74 HydrophobicContact CG1-CE1 3.61Å; I42-F74 HydrophobicContact CG1-CE2 4.45Å; I42-F74 HydrophobicContact CG1-CG 4.37Å; I42-F74 HydrophobicContact CG1-CZ 3.93Å; D58-F74 HydrophobicContact CB-CE2 3.99Å; D58-F74 HydrophobicContact CB-CZ 4.36Å; V60-F74 HydrophobicContact CB-CE2 4.13Å; V60-F74 HydrophobicContact CB-CZ 4.37Å; V60-F74 HydrophobicContact CG1-CD2 4.15Å; V60-F74 HydrophobicContact CG1-CE2 3.52Å; V60-F74 HydrophobicContact CG1-CZ 4.15Å; V60-F74 HydrophobicContact CG2-CD1 4.35Å; V60-F74 HydrophobicContact CG2-CD2 3.91Å; V60-F74 HydrophobicContact CG2-CE1 4Å; V60-F74 HydrophobicContact CG2-CE2 3.55Å; V60-F74 HydrophobicContact CG2-CG 4.32Å; V60-F74 HydrophobicContact CG2-CZ 3.59Å; F72-F74 HydrophobicContact CD2-CB 4.2Å; F72-F74 HydrophobicContact CE2-CB 3.64Å; F72-F74 HydrophobicContact CE2-CD1 4.33Å; F72-F74 AromaticContact CE2-CG 3.99Å; F72-F74 HydrophobicContact CE2-CG 3.99Å; F72-F74 HydrophobicContact CZ-CB 4.4Å
75	Q	98	Very high	97.5	Very high	96 Å²	96	57.8 Å²	57.8	45%	0.449	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.4	-179.7	179.5	176.7	-29.3	0	0	110	P21 F22 Q23	P21-Q75 HydrophobicContact CB-CG 3.79Å; F22-Q75 WeakPolarHBondContact O-CA 3.4Å; F22-Q75 WeakPolarHBondContact O-CG 3.4Å; Q23-Q75 HydrophobicContact CG-CB 4.24Å; Q23-Q75 HydrophobicContact CG-CG 3.85Å
76	A	98.3	Very high	97.5	Very high	3 Å²	3	62.5 Å²	62.5	3%	0.025	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.7	175.6	0	0	0	0	0	110.8	P21 F22 I42 L57 D58	P21-A76 CarbonylContact C-O 3.48Å; P21-A76 WeakPolarHBondContact CA-O 3.27Å; P21-A76 VanDerWaalsContact CB-O 3.28Å; P21-A76 WeakPolarHBondContact CB-O 3.4Å; F22-A76 PolarHBondContact N-O 2.84Å; F22-A76 PolarHBondContact O-N 2.81Å; I42-A76 HydrophobicContact CB-CB 4.27Å; I42-A76 HydrophobicContact CD1-CB 3.68Å; L57-A76 HydrophobicContact CB-CB 3.69Å; D58-A76 HydrophobicContact CB-CB 3.55Å
77	D	98.5	Very high	97.4	Very high	117 Å²	117	65.1 Å²	65.1	63%	0.626	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-63.8	161	177	-70.6	-30.4	0	0	0	111.8	L57	L57-D77 WeakPolarHBondContact CD1-O 3.31Å
78	A	98.3	Very high	97.3	Very high	28 Å²	28	64.8 Å²	64.8	23%	0.231	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-63.2	152.9	176.2	0	0	0	0	0	111.7	F18	F18-A78 WeakPolarHBondContact O-CB 3.5Å
79	P	98.3	Very high	97.2	Very high	7 Å²	7	63.4 Å²	63.4	5%	0.045	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-60.3	153.8	176.6	27.1	-38	0	0	0	111.9	F18 Y44 L57 T81 I84	F18-P79 HydrophobicContact CE1-CG 4.01Å; F18-P79 HydrophobicContact CE2-CG 4.48Å; F18-P79 HydrophobicContact CZ-CG 3.6Å; Y44-P79 HydrophobicContact CD1-CB 3.82Å; Y44-P79 HydrophobicContact CD1-CG 3.85Å; Y44-P79 HydrophobicContact CD2-CG 3.98Å; Y44-P79 HydrophobicContact CE1-CB 4.3Å; Y44-P79 HydrophobicContact CE1-CG 3.95Å; Y44-P79 HydrophobicContact CE2-CG 4.06Å; Y44-P79 HydrophobicContact CG-CB 3.95Å; Y44-P79 HydrophobicContact CG-CG 3.85Å; L57-P79 HydrophobicContact CD2-CB 3.86Å; P79-T81 PolarHBondContact O-N 3.36Å; P79-I84 HydrophobicContact CB-CD1 4.21Å; P79-I84 HydrophobicContact CG-CD1 4.08Å
80	N	98	Very high	97.1	Very high	92 Å²	92	58.1 Å²	58.1	49%	0.492	33%	0.33	S	S	.	.			trans	-69.6	113.8	170.5	-175.5	-11.6	0	0	0	109.7	Q55 G82 L83	Q55-N80 PolarHBondContact NE2-O 3.01Å; N80-G82 PolarHBondContact O-N 3.43Å; N80-G82 PolarHBondContact OD1-N 3.19Å; N80-L83 HydrophobicContact CB-CD1 4.17Å; N80-L83 HydrophobicContact CB-CG 4.29Å; N80-L83 PolarHBondContact O-N 3.17Å
81	T	97	Very high	97	Very high	56 Å²	56	56.9 Å²	56.9	34%	0.344	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26.4	-178.4	56.2	0	0	0	0	113.3	F18 P79 L83 I84 Y132	F18-T81 HydrophobicContact CD1-CG2 4.24Å; F18-T81 HydrophobicContact CE1-CG2 3.55Å; F18-T81 HydrophobicContact CZ-CG2 4.32Å; P79-T81 PolarHBondContact O-N 3.36Å; T81-L83 PolarHBondContact O-N 3.25Å; T81-I84 PolarHBondContact O-N 2.85Å; T81-Y132 HydrophobicContact CG2-CD1 3.46Å; T81-Y132 VanDerWaalsContact CG2-CD1 3.46Å; T81-Y132 HydrophobicContact CG2-CD2 3.62Å; T81-Y132 HydrophobicContact CG2-CE1 3.76Å; T81-Y132 HydrophobicContact CG2-CE2 3.92Å; T81-Y132 HydrophobicContact CG2-CG 3.37Å
82	G	96.6	Very high	97	Very high	65 Å²	65	56 Å²	56	67%	0.67	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-72.2	-12.1	178.2	0	0	0	0	0	114.4	N80	N80-G82 PolarHBondContact O-N 3.43Å; N80-G82 PolarHBondContact OD1-N 3.19Å
83	L	96.4	Very high	97	Very high	98 Å²	98	54.5 Å²	54.5	51%	0.513	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-102	-2.4	177.2	-59.3	179	0	0	0	112.5	Y53 N80 T81	Y53-L83 VanDerWaalsContact CD1-O 3.31Å; Y53-L83 WeakPolarHBondContact CD1-O 3.42Å; N80-L83 HydrophobicContact CB-CD1 4.17Å; N80-L83 HydrophobicContact CB-CG 4.29Å; N80-L83 PolarHBondContact O-N 3.17Å; T81-L83 PolarHBondContact O-N 3.25Å
84	I	97.5	Very high	97	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.046	32%	0.315	C	S	.	.	S	Bend	trans	-93.7	125.7	178.6	-59.4	173.2	0	0	0	107.7	F18 Y44 P79 T81 E86 A89 Y132	F18-I84 HydrophobicContact CZ-CD1 3.8Å; Y44-I84 HydrophobicContact CE1-CD1 3.81Å; Y44-I84 HydrophobicContact CE1-CG1 4.4Å; P79-I84 HydrophobicContact CB-CD1 4.21Å; P79-I84 HydrophobicContact CG-CD1 4.08Å; T81-I84 PolarHBondContact O-N 2.85Å; I84-E86 PolarHBondContact O-N 2.87Å; I84-A89 HydrophobicContact CG2-CB 4.36Å; I84-Y132 HydrophobicContact CD1-CE1 4.23Å
85	P	96.5	Very high	97	Very high	28 Å²	28	52.4 Å²	52.4	18%	0.182	31%	0.314	C	S	.	.			trans	-55.8	135.6	171.6	-26	36.4	0	0	0	111.3	Y53 T87 D88 A89	Y53-P85 HydrophobicContact CD1-CG 3.89Å; Y53-P85 HydrophobicContact CD2-CG 4.19Å; Y53-P85 HydrophobicContact CE1-CG 3.8Å; Y53-P85 HydrophobicContact CE2-CG 4.12Å; Y53-P85 HydrophobicContact CG-CG 4.07Å; P85-T87 PolarHBondContact O-N 3.35Å; P85-T87 VanDerWaalsContact O-N 3.11Å; P85-D88 HydrophobicContact CB-CB 4.42Å; P85-D88 PolarHBondContact O-N 2.98Å; P85-A89 PolarHBondContact O-N 3.1Å
86	E	95.1	Very high	97	Very high	104 Å²	104	48.9 Å²	48.9	49%	0.486	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.3	-175.5	-64.8	-175.3	160.1	0	0	112.5	I84 D88 P130	I84-E86 PolarHBondContact O-N 2.87Å; E86-D88 VanDerWaalsContact C-N 3.3Å; E86-D88 PolarHBondContact O-N 2.87Å; E86-P130 HydrophobicContact CB-CG 4.14Å; E86-P130 WeakPolarHBondContact O-CG 3.44Å
87	T	94.3	Very high	97	Very high	122 Å²	122	48.8 Å²	48.8	75%	0.748	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.3	176.3	47.8	0	0	0	0	113.8	P85	P85-T87 PolarHBondContact O-N 3.35Å; P85-T87 VanDerWaalsContact O-N 3.11Å
88	D	95.6	Very high	97	Very high	44 Å²	44	43.4 Å²	43.4	24%	0.235	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-4.4	-177.1	-65.7	-48.3	0	0	0	112.7	S47 P85 E86 V90	S47-D88 WeakPolarHBondContact CB-OD2 3.36Å; S47-D88 PolarHBondContact OG-OD2 3.35Å; P85-D88 HydrophobicContact CB-CB 4.42Å; P85-D88 PolarHBondContact O-N 2.98Å; E86-D88 VanDerWaalsContact C-N 3.3Å; E86-D88 PolarHBondContact O-N 2.87Å; D88-V90 VanDerWaalsContact C-N 3.34Å; D88-V90 PolarHBondContact O-N 2.96Å
89	A	94.9	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-64	-38.1	-178.2	0	0	0	0	0	113.2	I84 P85 N115 P130 Y132	I84-A89 HydrophobicContact CG2-CB 4.36Å; P85-A89 PolarHBondContact O-N 3.1Å; A89-N115 WeakPolarHBondContact O-CB 3.3Å; A89-N115 PolarHBondContact O-ND2 3.29Å; A89-P130 HydrophobicContact CB-CB 3.66Å; A89-P130 HydrophobicContact CB-CG 3.47Å; A89-P130 VanDerWaalsContact CB-CG 3.47Å; A89-Y132 HydrophobicContact CB-CE1 3.94Å; A89-Y132 WeakPolarHBondContact CB-OH 3.41Å
90	V	96.3	Very high	97	Very high	58 Å²	58	42.4 Å²	42.4	35%	0.352	26%	0.26	S	S	.	.	S	Bend	trans	-111.5	133.8	-178.3	-173.7	0	0	0	0	109.2	D88 Y117 L135	D88-V90 VanDerWaalsContact C-N 3.34Å; D88-V90 PolarHBondContact O-N 2.96Å; V90-Y117 HydrophobicContact CG1-CE2 4.5Å; V90-Y117 HydrophobicContact CG2-CE2 3.87Å; V90-L135 HydrophobicContact CG2-CD1 4.32Å; V90-L135 HydrophobicContact CG2-CD2 4Å
91	G	95.6	Very high	97	Very high	24 Å²	24	38 Å²	38	25%	0.247	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.8	-152.7	-177	0	0	0	0	0	112.3	N114 N115	G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 2.82Å; G91-N115 PolarHBondContact N-O 2.82Å; G91-N115 PolarHBondContact O-N 3.44Å
92	V	97.1	Very high	96.9	Very high	100 Å²	100	39.1 Å²	39.1	61%	0.606	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.7	-171.2	-177.8	0	0	0	0	110.7	Y112 V113	V92-Y112 HydrophobicContact CG1-CD1 3.71Å; V92-Y112 HydrophobicContact CG1-CE1 4.48Å; V92-Y112 HydrophobicContact CG1-CG 4.39Å; V92-V113 CarbonylContact C-O 3.58Å; V92-V113 WeakPolarHBondContact CA-O 3.16Å
93	T	97.8	Very high	96.9	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	-166.9	167.5	-169.9	0	0	0	0	110.3	Y44 V45 Y112 V113	Y44-T93 HydrophobicContact CE1-CG2 4.28Å; Y44-T93 HydrophobicContact CE2-CG2 3.93Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.38Å; V45-T93 PolarHBondContact O-OG1 3.44Å; T93-Y112 WeakPolarHBondContact O-CA 3.49Å; T93-V113 HydrophobicContact CG2-CB 4.03Å; T93-V113 HydrophobicContact CG2-CG1 4.48Å; T93-V113 PolarHBondContact N-O 2.81Å; T93-V113 PolarHBondContact O-N 2.82Å
94	V	98.2	Very high	96.9	Very high	38 Å²	38	37.3 Å²	37.3	23%	0.23	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.4	-177.3	-179.7	0	0	0	0	110.7	V45 L96 Y111 Y112	V45-V94 HydrophobicContact CB-CB 4.27Å; V45-V94 WeakPolarHBondContact CB-O 3.45Å; V45-V94 HydrophobicContact CG2-CB 3.98Å; V45-V94 HydrophobicContact CG2-CG1 4.42Å; V45-V94 PolarHBondContact N-O 2.77Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.1Å; V94-Y111 VanDerWaalsContact CA-O 3.3Å; V94-Y111 WeakPolarHBondContact CA-O 3.5Å; V94-Y112 HydrophobicContact CG2-CD1 3.98Å; V94-Y112 HydrophobicContact CG2-CE1 4.09Å
95	V	98.6	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.5	161.5	66.5	0	0	0	0	108.7	F22 F24 I42 I43 G110 Y111 V113	F22-V95 HydrophobicContact CD1-CG2 4.16Å; F22-V95 HydrophobicContact CE1-CB 4.07Å; F22-V95 HydrophobicContact CE1-CG1 4.1Å; F22-V95 HydrophobicContact CE1-CG2 3.93Å; F22-V95 HydrophobicContact CZ-CG2 4.37Å; F24-V95 HydrophobicContact CZ-CG1 4.11Å; F24-V95 HydrophobicContact CZ-CG2 4.46Å; I42-V95 HydrophobicContact CG2-CG2 3.8Å; I43-V95 CarbonylContact O-C 3.6Å; I43-V95 WeakPolarHBondContact O-CA 3.27Å; I43-V95 WeakPolarHBondContact O-CG2 3.39Å; V95-G110 CarbonylContact O-C 3.55Å; V95-G110 WeakPolarHBondContact O-CA 3.39Å; V95-Y111 PolarHBondContact N-O 2.84Å; V95-Y111 PolarHBondContact O-N 2.92Å; V95-V113 HydrophobicContact CB-CG2 3.86Å; V95-V113 HydrophobicContact CG1-CG2 3.53Å
96	L	98.6	Very high	97	Very high	22 Å²	22	38.1 Å²	38.1	12%	0.115	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.4	-178.4	-54.2	174.2	0	0	0	109.7	I42 I43 V45 V94 R108 I109	I42-L96 CarbonylContact C-O 3.56Å; I42-L96 WeakPolarHBondContact CA-O 3.47Å; I43-L96 HydrophobicContact CB-CB 4.24Å; I43-L96 PolarHBondContact N-O 2.87Å; I43-L96 PolarHBondContact O-N 2.67Å; V45-L96 HydrophobicContact CG2-CD1 4.3Å; V45-L96 HydrophobicContact CG2-CG 4.4Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.1Å; L96-R108 HydrophobicContact CD2-CG 4.29Å; L96-I109 CarbonylContact C-O 3.57Å; L96-I109 WeakPolarHBondContact CA-O 3.11Å
97	I	98.7	Very high	97.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.3	164.1	-56.2	165.8	0	0	0	106.4	V9 F24 I26 W40 K41 I42 R108 I109 Y111	V9-I97 HydrophobicContact CG1-CD1 3.78Å; F24-I97 HydrophobicContact CB-CD1 4.09Å; F24-I97 HydrophobicContact CD1-CD1 3.67Å; F24-I97 HydrophobicContact CD2-CD1 3.76Å; F24-I97 HydrophobicContact CD2-CG1 4.24Å; F24-I97 HydrophobicContact CE1-CD1 3.94Å; F24-I97 HydrophobicContact CE2-CD1 4.01Å; F24-I97 HydrophobicContact CE2-CG1 4.19Å; F24-I97 HydrophobicContact CG-CD1 3.57Å; F24-I97 HydrophobicContact CZ-CD1 4.1Å; F24-I97 HydrophobicContact CZ-CG1 4.45Å; I26-I97 HydrophobicContact CD1-CG2 3.99Å; W40-I97 HydrophobicContact CE3-CG2 3.96Å; W40-I97 HydrophobicContact CZ3-CG2 4.26Å; K41-I97 VanDerWaalsContact O-CA 3.31Å; K41-I97 WeakPolarHBondContact O-CA 3.42Å; I42-I97 HydrophobicContact CG1-CG1 4.44Å; I97-R108 CarbonylContact O-C 3.54Å; I97-R108 WeakPolarHBondContact O-CA 3.46Å; I97-I109 HydrophobicContact CB-CB 4.39Å; I97-I109 PolarHBondContact N-O 2.85Å; I97-I109 PolarHBondContact O-N 2.81Å; I97-Y111 HydrophobicContact CD1-CE2 4.29Å
98	T	98.6	Very high	97.3	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	148.5	174.8	63	0	0	0	0	110	W40 K41 I43 I107 R108	W40-T98 WeakPolarHBondContact CA-O 3.47Å; K41-T98 PolarHBondContact N-O 3.11Å; K41-T98 PolarHBondContact O-N 3.2Å; I43-T98 HydrophobicContact CD1-CG2 4.1Å; T98-I107 WeakPolarHBondContact CA-O 3.33Å; T98-R108 HydrophobicContact CG2-CB 4.37Å; T98-R108 HydrophobicContact CG2-CG 3.99Å
99	C	98.4	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128	168.7	-167.6	0	0	0	0	109	E39 W40 F106 I107	E39-C99 CarbonylContact O-C 3.59Å; E39-C99 WeakPolarHBondContact O-CA 3.38Å; W40-C99 HydrophobicContact CD2-CB 3.87Å; W40-C99 VanDerWaalsContact CD2-SG 3.57Å; W40-C99 HydrophobicContact CE3-CB 3.7Å; W40-C99 HydrophobicContact CH2-CB 4Å; W40-C99 HydrophobicContact CZ2-CB 4.15Å; W40-C99 VanDerWaalsContact CZ2-SG 3.54Å; W40-C99 HydrophobicContact CZ3-CB 3.77Å; C99-F106 HydrophobicContact CB-CE1 3.86Å; C99-F106 HydrophobicContact CB-CZ 3.82Å; C99-F106 VanDerWaalsContact O-CD1 3.32Å; C99-F106 WeakPolarHBondContact O-CD1 3.46Å; C99-F106 PolarHBondContact O-N 3.32Å; C99-F106 VanDerWaalsContact O-N 3.12Å; C99-F106 WeakPolarHBondContact SG-CE1 3.43Å; C99-F106 WeakPolarHBondContact SG-CZ 3.5Å; C99-I107 HydrophobicContact CB-CG2 3.6Å; C99-I107 PolarHBondContact N-O 2.95Å
100	T	98.1	Very high	97.6	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.7	178	86.5	0	0	0	0	110.2	L38 E39 Q104 E105	L38-T100 WeakPolarHBondContact CA-O 3.28Å; E39-T100 WeakPolarHBondContact CB-OG1 3.14Å; E39-T100 PolarHBondContact N-O 3.3Å; E39-T100 PolarHBondContact O-N 3.02Å; E39-T100 PolarHBondContact OE2-OG1 3.31Å; T100-Q104 VanDerWaalsContact CA-O 3.29Å; T100-Q104 WeakPolarHBondContact CA-O 3.07Å; T100-E105 HydrophobicContact CG2-CB 4Å; T100-E105 HydrophobicContact CG2-CG 4.38Å
101	Y	97.3	Very high	97.8	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.3	170.5	-178.4	-112.9	0	0	0	107.4	L34 P35 E36 L38 G103 Q104 I151 W153	L34-Y101 HydrophobicContact CB-CE2 4.13Å; L34-Y101 HydrophobicContact CD1-CD2 4.33Å; L34-Y101 HydrophobicContact CD1-CE2 4.16Å; L34-Y101 HydrophobicContact CD2-CE1 4.43Å; L34-Y101 HydrophobicContact CD2-CE2 4.36Å; L34-Y101 HydrophobicContact CG-CE2 4.46Å; P35-Y101 WeakPolarHBondContact CD-OH 3.35Å; E36-Y101 HydrophobicContact CB-CE2 3.7Å; E36-Y101 WeakPolarHBondContact O-CE2 3.21Å; L38-Y101 HydrophobicContact CD2-CD2 3.84Å; L38-Y101 HydrophobicContact CD2-CG 4.21Å; Y101-G103 PolarHBondContact O-N 2.87Å; Y101-Q104 PolarHBondContact N-O 2.82Å; Y101-Q104 PolarHBondContact O-N 3.31Å; Y101-I151 HydrophobicContact CD1-CD1 4.31Å; Y101-W153 HydrophobicContact CD1-CD2 4.43Å; Y101-W153 AromaticContact CD1-CE3 3.57Å; Y101-W153 HydrophobicContact CD1-CE3 3.57Å; Y101-W153 AromaticContact CD1-CZ3 3.93Å; Y101-W153 HydrophobicContact CD1-CZ3 3.93Å; Y101-W153 AromaticContact CE1-CE3 3.97Å; Y101-W153 HydrophobicContact CE1-CE3 3.97Å; Y101-W153 HydrophobicContact CG-CE3 4.19Å; Y101-W153 HydrophobicContact CG-CZ3 4.07Å
102	R	94.9	Very high	97.9	Very high	78 Å²	78	31.6 Å²	31.6	29%	0.294	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	38.8	-175.6	-62	179.1	159.5	178.2	-12	113	E36 Q104 W153 E154	E36-R102 IonicContact OE1-CZ 2.73Å; E36-R102 IonicContact OE1-NE 2.79Å; E36-R102 PolarHBondContact OE1-NE 3.2Å; E36-R102 IonicContact OE1-NH2 3.66Å; E36-R102 PolarHBondContact OE1-NH2 3.3Å; E36-R102 WeakPolarHBondContact OE2-CG 3.47Å; E36-R102 IonicContact OE2-NE 2.71Å; R102-Q104 PolarHBondContact O-N 3.13Å; R102-Q104 VanDerWaalsContact O-N 3.16Å; R102-W153 PolarHBondContact NH1-O 3.04Å; R102-E154 PolarHBondContact NH1-O 2.91Å
103	G	95.6	Very high	97.9	Very high	70 Å²	70	26.8 Å²	26.8	72%	0.722	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	5.2	-177.8	0	0	0	0	0	115.1	Y101	Y101-G103 PolarHBondContact O-N 2.87Å
104	Q	97.3	Very high	98	Very high	55 Å²	55	28.6 Å²	28.6	26%	0.257	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.2	175.7	-63.6	167.3	84.6	0	0	109.3	T100 Y101 R102 F106 I151 N152	T100-Q104 VanDerWaalsContact CA-O 3.29Å; T100-Q104 WeakPolarHBondContact CA-O 3.07Å; Y101-Q104 PolarHBondContact N-O 2.82Å; Y101-Q104 PolarHBondContact O-N 3.31Å; R102-Q104 PolarHBondContact O-N 3.13Å; R102-Q104 VanDerWaalsContact O-N 3.16Å; Q104-F106 PolarHBondContact O-N 2.81Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.31Å; Q104-I151 HydrophobicContact CB-CG2 3.62Å; Q104-N152 PolarHBondContact NE2-O 2.94Å; Q104-N152 VanDerWaalsContact NE2-O 3.11Å
105	E	97.9	Very high	97.9	Very high	46 Å²	46	26.8 Å²	26.8	22%	0.215	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.4	173.4	-172.2	-176.5	128.8	0	0	110	T100 R108 F149 I151	T100-E105 HydrophobicContact CG2-CB 4Å; T100-E105 HydrophobicContact CG2-CG 4.38Å; E105-R108 VanDerWaalsContact CD-NH2 3.3Å; E105-R108 WeakPolarHBondContact OE1-CB 3.32Å; E105-R108 IonicContact OE1-CZ 2.74Å; E105-R108 VanDerWaalsContact OE1-CZ 3.28Å; E105-R108 IonicContact OE1-NE 2.71Å; E105-R108 PolarHBondContact OE1-NE 2.75Å; E105-R108 IonicContact OE1-NH2 3.23Å; E105-R108 PolarHBondContact OE1-NH2 2.83Å; E105-R108 IonicContact OE2-CZ 3.68Å; E105-R108 IonicContact OE2-NE 3.04Å; E105-R108 IonicContact OE2-NH2 3.28Å; E105-R108 PolarHBondContact OE2-NH2 3.24Å; E105-F149 HydrophobicContact CG-CD2 4.3Å; E105-F149 HydrophobicContact CG-CE2 4.41Å; E105-F149 WeakPolarHBondContact O-CB 3.28Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.45Å; E105-I151 VanDerWaalsContact O-CG2 3.25Å; E105-I151 WeakPolarHBondContact O-CG2 2.91Å
106	F	97.6	Very high	97.9	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-16.6	178	69.8	-88.9	0	0	0	113.3	V4 L38 C99 Q104 R148 F149 I151 W153	V4-F106 HydrophobicContact CB-CE2 3.9Å; V4-F106 HydrophobicContact CB-CZ 3.87Å; V4-F106 HydrophobicContact CG1-CE2 4.08Å; V4-F106 HydrophobicContact CG1-CZ 3.91Å; V4-F106 HydrophobicContact CG2-CZ 4.49Å; L38-F106 HydrophobicContact CD2-CE1 3.92Å; L38-F106 HydrophobicContact CD2-CZ 4.23Å; C99-F106 HydrophobicContact CB-CE1 3.86Å; C99-F106 HydrophobicContact CB-CZ 3.82Å; C99-F106 VanDerWaalsContact O-CD1 3.32Å; C99-F106 WeakPolarHBondContact O-CD1 3.46Å; C99-F106 PolarHBondContact O-N 3.32Å; C99-F106 VanDerWaalsContact O-N 3.12Å; C99-F106 WeakPolarHBondContact SG-CE1 3.43Å; C99-F106 WeakPolarHBondContact SG-CZ 3.5Å; Q104-F106 PolarHBondContact O-N 2.81Å; F106-R148 WeakPolarHBondContact O-CA 3.4Å; F106-F149 PolarHBondContact O-N 3.27Å; F106-I151 HydrophobicContact CB-CB 4.44Å; F106-I151 HydrophobicContact CB-CD1 3.79Å; F106-I151 HydrophobicContact CB-CG1 3.84Å; F106-I151 HydrophobicContact CB-CG2 3.74Å; F106-I151 HydrophobicContact CD1-CD1 4.03Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; F106-W153 HydrophobicContact CB-CZ2 4.32Å; F106-W153 HydrophobicContact CD1-CH2 4.01Å; F106-W153 HydrophobicContact CD1-CZ2 4.5Å; F106-W153 HydrophobicContact CD2-CH2 4.01Å; F106-W153 HydrophobicContact CD2-CZ2 4.15Å; F106-W153 HydrophobicContact CE1-CH2 4.11Å; F106-W153 HydrophobicContact CE2-CH2 4.11Å; F106-W153 AromaticContact CG-CH2 3.96Å; F106-W153 HydrophobicContact CG-CH2 3.96Å; F106-W153 HydrophobicContact CG-CZ2 4.08Å; F106-W153 HydrophobicContact CZ-CH2 4.15Å
107	I	98.3	Very high	97.8	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	140.9	175	-166.9	170.2	0	0	0	111.7	V6 T98 C99 I109 V146 T147 R148	V6-I107 HydrophobicContact CB-CD1 3.91Å; V6-I107 HydrophobicContact CG2-CD1 3.69Å; V6-I107 HydrophobicContact CG2-CG2 4.18Å; T98-I107 WeakPolarHBondContact CA-O 3.33Å; C99-I107 HydrophobicContact CB-CG2 3.6Å; C99-I107 PolarHBondContact N-O 2.95Å; I107-I109 HydrophobicContact CD1-CD1 4.26Å; I107-I109 HydrophobicContact CD1-CG1 4.27Å; I107-I109 HydrophobicContact CG1-CG1 4.17Å; I107-V146 HydrophobicContact CD1-CG1 3.95Å; I107-V146 HydrophobicContact CG1-CG1 4.09Å; I107-T147 WeakPolarHBondContact CA-O 3.4Å; I107-R148 HydrophobicContact CD1-CG 4.48Å; I107-R148 HydrophobicContact CG1-CG 4.32Å
108	R	98.5	Very high	97.6	Very high	86 Å²	86	32.2 Å²	32.2	33%	0.325	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.2	173.6	-173.7	174	-62.6	-165.8	-2	109.2	L96 I97 T98 E105 V146 T147 F149	L96-R108 HydrophobicContact CD2-CG 4.29Å; I97-R108 CarbonylContact O-C 3.54Å; I97-R108 WeakPolarHBondContact O-CA 3.46Å; T98-R108 HydrophobicContact CG2-CB 4.37Å; T98-R108 HydrophobicContact CG2-CG 3.99Å; E105-R108 VanDerWaalsContact CD-NH2 3.3Å; E105-R108 WeakPolarHBondContact OE1-CB 3.32Å; E105-R108 IonicContact OE1-CZ 2.74Å; E105-R108 VanDerWaalsContact OE1-CZ 3.28Å; E105-R108 IonicContact OE1-NE 2.71Å; E105-R108 PolarHBondContact OE1-NE 2.75Å; E105-R108 IonicContact OE1-NH2 3.23Å; E105-R108 PolarHBondContact OE1-NH2 2.83Å; E105-R108 IonicContact OE2-CZ 3.68Å; E105-R108 IonicContact OE2-NE 3.04Å; E105-R108 IonicContact OE2-NH2 3.28Å; E105-R108 PolarHBondContact OE2-NH2 3.24Å; R108-V146 WeakPolarHBondContact O-CA 3.36Å; R108-T147 PolarHBondContact N-O 2.83Å; R108-T147 PolarHBondContact O-N 2.84Å; R108-F149 HydrophobicContact CB-CE2 4.16Å
109	I	98.7	Very high	97.4	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.7	179.7	-53.9	173.5	0	0	0	107.3	V6 V9 L96 I97 I107 Y111 P144 R145 V146	V6-I109 HydrophobicContact CB-CD1 4.42Å; V6-I109 HydrophobicContact CG1-CD1 3.93Å; V9-I109 HydrophobicContact CG2-CD1 3.64Å; L96-I109 CarbonylContact C-O 3.57Å; L96-I109 WeakPolarHBondContact CA-O 3.11Å; I97-I109 HydrophobicContact CB-CB 4.39Å; I97-I109 PolarHBondContact N-O 2.85Å; I97-I109 PolarHBondContact O-N 2.81Å; I107-I109 HydrophobicContact CD1-CD1 4.26Å; I107-I109 HydrophobicContact CD1-CG1 4.27Å; I107-I109 HydrophobicContact CG1-CG1 4.17Å; I109-Y111 HydrophobicContact CG2-CD2 4.4Å; I109-Y111 HydrophobicContact CG2-CE2 3.73Å; I109-P144 HydrophobicContact CG2-CB 4.12Å; I109-R145 CarbonylContact C-O 3.58Å; I109-R145 WeakPolarHBondContact CA-O 3.36Å; I109-V146 HydrophobicContact CG1-CG1 4.46Å; I109-V146 HydrophobicContact CG1-CG2 4.38Å; I109-V146 HydrophobicContact CG2-CG2 4.36Å
110	G	98.4	Very high	97.2	Very high	7 Å²	7	39.2 Å²	39.2	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.9	178.4	0	0	0	0	0	112.3	V95 P144 R145	V95-G110 CarbonylContact O-C 3.55Å; V95-G110 WeakPolarHBondContact O-CA 3.39Å; G110-P144 WeakPolarHBondContact O-CA 3.48Å; G110-R145 PolarHBondContact N-O 2.93Å; G110-R145 PolarHBondContact O-N 2.89Å
111	Y	98.6	Very high	96.9	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.1	169.2	-68.4	-86.6	0	0	0	109.9	V9 V11 F24 V94 V95 I97 I109 I139 P144	V9-Y111 WeakPolarHBondContact CB-OH 3.46Å; V9-Y111 HydrophobicContact CG1-CE2 4.21Å; V9-Y111 PolarHBondContact O-OH 3.01Å; V11-Y111 HydrophobicContact CG2-CD1 4.39Å; V11-Y111 HydrophobicContact CG2-CE1 3.96Å; V11-Y111 HydrophobicContact CG2-CE2 4.4Å; F24-Y111 HydrophobicContact CE1-CD2 4.22Å; F24-Y111 HydrophobicContact CE1-CE2 4.23Å; V94-Y111 VanDerWaalsContact CA-O 3.3Å; V94-Y111 WeakPolarHBondContact CA-O 3.5Å; V95-Y111 PolarHBondContact N-O 2.84Å; V95-Y111 PolarHBondContact O-N 2.92Å; I97-Y111 HydrophobicContact CD1-CE2 4.29Å; I109-Y111 HydrophobicContact CG2-CD2 4.4Å; I109-Y111 HydrophobicContact CG2-CE2 3.73Å; Y111-I139 HydrophobicContact CD1-CG2 4.09Å; Y111-I139 HydrophobicContact CG-CG2 3.87Å; Y111-P144 HydrophobicContact CD1-CB 4.17Å; Y111-P144 HydrophobicContact CE1-CB 3.6Å; Y111-P144 HydrophobicContact CE1-CG 4.26Å
112	Y	98.3	Very high	96.7	Very high	104 Å²	104	47.1 Å²	47.1	41%	0.408	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.5	164.2	-71.7	-69.2	0	0	0	109.8	V92 T93 V94 I139 L140	V92-Y112 HydrophobicContact CG1-CD1 3.71Å; V92-Y112 HydrophobicContact CG1-CE1 4.48Å; V92-Y112 HydrophobicContact CG1-CG 4.39Å; T93-Y112 WeakPolarHBondContact O-CA 3.49Å; V94-Y112 HydrophobicContact CG2-CD1 3.98Å; V94-Y112 HydrophobicContact CG2-CE1 4.09Å; Y112-I139 WeakPolarHBondContact O-CA 3.25Å; Y112-L140 PolarHBondContact O-N 3.11Å
113	V	98.3	Very high	96.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.8	178.2	-176.7	0	0	0	0	107.1	V92 T93 V95 R137 N138 I139	V92-V113 CarbonylContact C-O 3.58Å; V92-V113 WeakPolarHBondContact CA-O 3.16Å; T93-V113 HydrophobicContact CG2-CB 4.03Å; T93-V113 HydrophobicContact CG2-CG1 4.48Å; T93-V113 PolarHBondContact N-O 2.81Å; T93-V113 PolarHBondContact O-N 2.82Å; V95-V113 HydrophobicContact CB-CG2 3.86Å; V95-V113 HydrophobicContact CG1-CG2 3.53Å; V113-R137 HydrophobicContact CG1-CG 3.28Å; V113-N138 WeakPolarHBondContact CA-O 3.29Å; V113-I139 HydrophobicContact CG2-CG1 4.24Å
114	N	98.1	Very high	96.5	Very high	49 Å²	49	54.2 Å²	54.2	26%	0.262	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.2	173.4	-171.2	41.5	0	0	0	109.2	G91 N138	G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 2.82Å; N114-N138 PolarHBondContact N-O 3.41Å; N114-N138 PolarHBondContact O-N 2.79Å
115	N	98.1	Very high	96.3	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.8	173.4	-60.2	-40.1	0	0	0	108.7	Y44 A89 G91 Q136	Y44-N115 PolarHBondContact OH-ND2 3.47Å; A89-N115 WeakPolarHBondContact O-CB 3.3Å; A89-N115 PolarHBondContact O-ND2 3.29Å; G91-N115 PolarHBondContact N-O 2.82Å; G91-N115 PolarHBondContact O-N 3.44Å; N115-Q136 WeakPolarHBondContact CA-O 3.37Å
116	E	97.1	Very high	96	Very high	49 Å²	49	58.9 Å²	58.9	23%	0.229	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.4	-180	66	-178	151.4	0	0	112	R123 Q136	E116-R123 IonicContact OE2-CZ 3.35Å; E116-R123 IonicContact OE2-NH1 2.77Å; E116-R123 PolarHBondContact OE2-NH1 2.85Å; E116-R123 IonicContact OE2-NH2 3.35Å; E116-R123 PolarHBondContact OE2-NH2 3.24Å; E116-Q136 PolarHBondContact N-O 2.77Å; E116-Q136 PolarHBondContact O-N 2.91Å
117	Y	97.7	Very high	95.8	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138	167.5	-67	-68.3	0	0	0	109.7	V90 L122 R123 P126 P127 P130 D131 Q134 L135	V90-Y117 HydrophobicContact CG1-CE2 4.5Å; V90-Y117 HydrophobicContact CG2-CE2 3.87Å; Y117-L122 HydrophobicContact CD1-CB 4.08Å; Y117-L122 HydrophobicContact CD1-CD1 3.99Å; Y117-L122 HydrophobicContact CD2-CB 4.05Å; Y117-L122 WeakPolarHBondContact CD2-O 3.49Å; Y117-L122 HydrophobicContact CE1-CD1 4.42Å; Y117-L122 HydrophobicContact CG-CB 3.73Å; Y117-L122 HydrophobicContact CG-CD1 4.46Å; Y117-R123 VanDerWaalsContact O-CD 3.23Å; Y117-R123 WeakPolarHBondContact O-CD 3.32Å; Y117-R123 WeakPolarHBondContact O-CG 3.47Å; Y117-P126 HydrophobicContact CE2-CB 4.07Å; Y117-P127 WeakPolarHBondContact OH-CG 3.48Å; Y117-P130 WeakPolarHBondContact OH-CA 3.47Å; Y117-D131 HydrophobicContact CE1-CB 4.41Å; Y117-D131 PolarHBondContact OH-N 2.99Å; Y117-Q134 HydrophobicContact CD1-CB 4.01Å; Y117-Q134 HydrophobicContact CE1-CB 4.26Å; Y117-L135 HydrophobicContact CD1-CD2 3.59Å; Y117-L135 HydrophobicContact CD1-CG 4.3Å; Y117-L135 HydrophobicContact CD2-CD2 4.13Å; Y117-L135 HydrophobicContact CE1-CD2 3.55Å; Y117-L135 HydrophobicContact CE1-CG 3.99Å; Y117-L135 HydrophobicContact CE2-CD2 4.1Å; Y117-L135 HydrophobicContact CG-CD2 3.88Å
118	T	93.3	Very high	95.4	Very high	84 Å²	84	68.7 Å²	68.7	52%	0.515	35%	0.347	S	S	.	.	S	Bend	trans	-81	-27	173.3	53.3	0	0	0	0	112.2	Q136	T118-Q136 HydrophobicContact CG2-CB 3.55Å; T118-Q136 HydrophobicContact CG2-CG 4.37Å
119	D	94.2	Very high	95.2	Very high	61 Å²	61	71.8 Å²	71.8	33%	0.326	36%	0.363	S	S	.	.	S	Bend	trans	-76.3	122.6	177.5	-168.4	-28	0	0	0	111.1	E121 L122 R123	D119-E121 VanDerWaalsContact C-N 3.27Å; D119-E121 PolarHBondContact O-N 2.96Å; D119-E121 PolarHBondContact OD1-N 3.1Å; D119-L122 HydrophobicContact CB-CB 4.22Å; D119-L122 HydrophobicContact CB-CD1 4.01Å; D119-L122 HydrophobicContact CB-CG 4.09Å; D119-L122 PolarHBondContact O-N 2.81Å; D119-R123 WeakPolarHBondContact O-CG 3.32Å; D119-R123 PolarHBondContact O-N 2.81Å
120	P	93.9	Very high	95.1	Very high	88 Å²	88	72.1 Å²	72.1	57%	0.571	37%	0.365	S	S	*	.	H	α-helix	trans	-53.6	-37.8	175.8	-26	35	0	0	0	114.5	R123 E124	P120-R123 PolarHBondContact O-N 2.81Å; P120-E124 PolarHBondContact O-N 3.49Å
121	E	93.4	Very high	94.9	Very high	147 Å²	147	74.4 Å²	74.4	69%	0.687	38%	0.376	S	S	*	.	H	α-helix	trans	-67.4	-41.1	-177.6	-65.7	-172.1	177.5	0	0	111.2	D119 R123 E124 N125	D119-E121 VanDerWaalsContact C-N 3.27Å; D119-E121 PolarHBondContact O-N 2.96Å; D119-E121 PolarHBondContact OD1-N 3.1Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-E124 PolarHBondContact O-N 2.71Å; E121-N125 PolarHBondContact O-N 2.73Å
122	L	93	Very high	94.8	Very high	34 Å²	34	75.9 Å²	75.9	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-72.1	-25.5	176.4	-63.8	178.3	0	0	0	112.6	Y117 D119 N125 P126 Q134	Y117-L122 HydrophobicContact CD1-CB 4.08Å; Y117-L122 HydrophobicContact CD1-CD1 3.99Å; Y117-L122 HydrophobicContact CD2-CB 4.05Å; Y117-L122 WeakPolarHBondContact CD2-O 3.49Å; Y117-L122 HydrophobicContact CE1-CD1 4.42Å; Y117-L122 HydrophobicContact CG-CB 3.73Å; Y117-L122 HydrophobicContact CG-CD1 4.46Å; D119-L122 HydrophobicContact CB-CB 4.22Å; D119-L122 HydrophobicContact CB-CD1 4.01Å; D119-L122 HydrophobicContact CB-CG 4.09Å; D119-L122 PolarHBondContact O-N 2.81Å; L122-N125 CarbonylContact O-C 3.56Å; L122-P126 WeakPolarHBondContact O-CA 3.42Å; L122-P126 VanDerWaalsContact O-N 3.15Å; L122-Q134 HydrophobicContact CD1-CB 4.23Å
123	R	92	Very high	94.7	Very high	141 Å²	141	75.7 Å²	75.7	53%	0.532	40%	0.395	S	S	.	.	H	α-helix	trans	-71.3	-42.7	172.3	-70.5	172.2	66.5	119.6	11.7	112	E116 Y117 D119 P120 E121	E116-R123 IonicContact OE2-CZ 3.35Å; E116-R123 IonicContact OE2-NH1 2.77Å; E116-R123 PolarHBondContact OE2-NH1 2.85Å; E116-R123 IonicContact OE2-NH2 3.35Å; E116-R123 PolarHBondContact OE2-NH2 3.24Å; Y117-R123 VanDerWaalsContact O-CD 3.23Å; Y117-R123 WeakPolarHBondContact O-CD 3.32Å; Y117-R123 WeakPolarHBondContact O-CG 3.47Å; D119-R123 WeakPolarHBondContact O-CG 3.32Å; D119-R123 PolarHBondContact O-N 2.81Å; P120-R123 PolarHBondContact O-N 2.81Å; E121-R123 VanDerWaalsContact C-N 3.32Å
124	E	93.3	Very high	94.6	Very high	156 Å²	156	79.3 Å²	79.3	73%	0.729	41%	0.412	S	S	*	.	H	α-helix	trans	-73.9	-36.8	179.1	-71.3	-173.1	177.8	0	0	111.8	P120 E121	P120-E124 PolarHBondContact O-N 3.49Å; E121-E124 PolarHBondContact O-N 2.71Å
125	N	92.9	Very high	94.5	Very high	121 Å²	121	77.1 Å²	77.1	65%	0.647	40%	0.401	S	S	*	.	S	Bend	trans	-130.1	74.2	-178.4	-58.9	-78.3	0	0	0	110.4	E121 L122	E121-N125 PolarHBondContact O-N 2.73Å; L122-N125 CarbonylContact O-C 3.56Å
126	P	92.3	Very high	94.6	Very high	78 Å²	78	80 Å²	80	51%	0.506	41%	0.414	S	S	.	.			trans	-63.2	138.4	-179.2	25.8	-33.9	0	0	0	110.7	Y117 L122	Y117-P126 HydrophobicContact CE2-CB 4.07Å; L122-P126 WeakPolarHBondContact O-CA 3.42Å; L122-P126 VanDerWaalsContact O-N 3.15Å
127	P	92.9	Very high	94.6	Very high	51 Å²	51	77.8 Å²	77.8	33%	0.331	40%	0.404	S	S	.	.			trans	-64.8	150.3	176.2	28.7	-34.8	0	0	0	110.3	Y117 K129	Y117-P127 WeakPolarHBondContact OH-CG 3.48Å; P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 WeakPolarHBondContact CB-O 3.44Å; P127-K129 WeakPolarHBondContact CG-O 3.39Å; P127-K129 PolarHBondContact O-N 3.16Å
128	L	90.7	Very high	94.6	Very high	170 Å²	170	80.5 Å²	80.5	89%	0.89	42%	0.418	S	S	*	.	S	Bend	trans	-57.4	-42.6	177.9	-166	97.8	0	0	0	111.5
129	K	94.4	Very high	94.9	Very high	151 Å²	151	76.7 Å²	76.7	66%	0.657	40%	0.395	S	S	*	.	S	Bend	trans	-96.2	120.6	172.7	-174.9	173.8	-175.8	176.8	0	109.1	P127 D131	P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 WeakPolarHBondContact CB-O 3.44Å; P127-K129 WeakPolarHBondContact CG-O 3.39Å; P127-K129 PolarHBondContact O-N 3.16Å; K129-D131 PolarHBondContact O-N 3.26Å
130	P	95.6	Very high	95.1	Very high	13 Å²	13	77.3 Å²	77.3	8%	0.084	40%	0.398	C	S	.	.			trans	-60.1	135.4	179.4	-24.4	33.5	0	0	0	113	E86 A89 Y117 Y132	E86-P130 HydrophobicContact CB-CG 4.14Å; E86-P130 WeakPolarHBondContact O-CG 3.44Å; A89-P130 HydrophobicContact CB-CB 3.66Å; A89-P130 HydrophobicContact CB-CG 3.47Å; A89-P130 VanDerWaalsContact CB-CG 3.47Å; Y117-P130 WeakPolarHBondContact OH-CA 3.47Å; P130-Y132 HydrophobicContact CB-CE2 4.07Å
131	D	95.4	Very high	95.1	Very high	55 Å²	55	75.2 Å²	75.2	29%	0.294	39%	0.388	S	S	.	.			trans	-102.4	91.8	172.6	-176.1	0	0	0	0	110.5	Y117 K129 S133 Q134 L135	Y117-D131 HydrophobicContact CE1-CB 4.41Å; Y117-D131 PolarHBondContact OH-N 2.99Å; K129-D131 PolarHBondContact O-N 3.26Å; D131-S133 PolarHBondContact O-N 3.12Å; D131-S133 VanDerWaalsContact O-N 3.13Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.18Å; D131-S133 PolarHBondContact OD1-OG 2.97Å; D131-S133 PolarHBondContact OD2-OG 2.79Å; D131-Q134 PolarHBondContact O-N 3.04Å; D131-Q134 PolarHBondContact OD2-NE2 2.75Å; D131-L135 PolarHBondContact O-N 2.81Å
132	Y	96.3	Very high	95.2	Very high	36 Å²	36	73.2 Å²	73.2	14%	0.141	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-61.6	-19.2	-179.4	-63.4	-91.6	0	0	0	114.2	F18 T81 I84 A89 P130 Q134 L135	F18-Y132 AromaticContact CD1-CD1 3.66Å; F18-Y132 HydrophobicContact CD1-CD1 3.66Å; F18-Y132 HydrophobicContact CD1-CG 4.31Å; F18-Y132 HydrophobicContact CD2-CD1 4.16Å; F18-Y132 AromaticContact CE1-CD1 3.5Å; F18-Y132 HydrophobicContact CE1-CD1 3.5Å; F18-Y132 VanDerWaalsContact CE1-CD1 3.5Å; F18-Y132 HydrophobicContact CE1-CE1 4.04Å; F18-Y132 HydrophobicContact CE1-CG 4.35Å; F18-Y132 AromaticContact CE2-CD1 3.97Å; F18-Y132 HydrophobicContact CE2-CD1 3.97Å; F18-Y132 HydrophobicContact CE2-CE1 4.15Å; F18-Y132 HydrophobicContact CG-CD1 4Å; F18-Y132 AromaticContact CZ-CD1 3.64Å; F18-Y132 HydrophobicContact CZ-CD1 3.64Å; F18-Y132 AromaticContact CZ-CE1 3.77Å; F18-Y132 HydrophobicContact CZ-CE1 3.77Å; T81-Y132 HydrophobicContact CG2-CD1 3.46Å; T81-Y132 VanDerWaalsContact CG2-CD1 3.46Å; T81-Y132 HydrophobicContact CG2-CD2 3.62Å; T81-Y132 HydrophobicContact CG2-CE1 3.76Å; T81-Y132 HydrophobicContact CG2-CE2 3.92Å; T81-Y132 HydrophobicContact CG2-CG 3.37Å; I84-Y132 HydrophobicContact CD1-CE1 4.23Å; A89-Y132 HydrophobicContact CB-CE1 3.94Å; A89-Y132 WeakPolarHBondContact CB-OH 3.41Å; P130-Y132 HydrophobicContact CB-CE2 4.07Å; Y132-Q134 PolarHBondContact O-N 2.74Å; Y132-L135 HydrophobicContact CD1-CD1 3.78Å; Y132-L135 HydrophobicContact CE1-CD1 4.27Å; Y132-L135 HydrophobicContact CG-CD1 4.29Å; Y132-L135 PolarHBondContact O-N 3.43Å
133	S	95.8	Very high	95.3	Very high	100 Å²	100	75 Å²	75	70%	0.699	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-70.3	-20.7	176.3	74.5	0	0	0	0	112.7	D131	D131-S133 PolarHBondContact O-N 3.12Å; D131-S133 VanDerWaalsContact O-N 3.13Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.18Å; D131-S133 PolarHBondContact OD1-OG 2.97Å; D131-S133 PolarHBondContact OD2-OG 2.79Å
134	Q	96.1	Very high	95.5	Very high	76 Å²	76	70.7 Å²	70.7	36%	0.355	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-107	1.9	179.4	-60.9	-166.9	73.4	0	0	113	Y117 L122 D131 Y132	Y117-Q134 HydrophobicContact CD1-CB 4.01Å; Y117-Q134 HydrophobicContact CE1-CB 4.26Å; L122-Q134 HydrophobicContact CD1-CB 4.23Å; D131-Q134 PolarHBondContact O-N 3.04Å; D131-Q134 PolarHBondContact OD2-NE2 2.75Å; Y132-Q134 PolarHBondContact O-N 2.74Å
135	L	97.2	Very high	95.7	Very high	4 Å²	4	70 Å²	70	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.5	175	-69.5	179.4	0	0	0	110.9	F18 V90 Y117 D131 Y132	F18-L135 HydrophobicContact CB-CB 3.87Å; F18-L135 HydrophobicContact CG-CB 4.49Å; F18-L135 PolarHBondContact N-O 3.37Å; V90-L135 HydrophobicContact CG2-CD1 4.32Å; V90-L135 HydrophobicContact CG2-CD2 4Å; Y117-L135 HydrophobicContact CD1-CD2 3.59Å; Y117-L135 HydrophobicContact CD1-CG 4.3Å; Y117-L135 HydrophobicContact CD2-CD2 4.13Å; Y117-L135 HydrophobicContact CE1-CD2 3.55Å; Y117-L135 HydrophobicContact CE1-CG 3.99Å; Y117-L135 HydrophobicContact CE2-CD2 4.1Å; Y117-L135 HydrophobicContact CG-CD2 3.88Å; D131-L135 PolarHBondContact O-N 2.81Å; Y132-L135 HydrophobicContact CD1-CD1 3.78Å; Y132-L135 HydrophobicContact CE1-CD1 4.27Å; Y132-L135 HydrophobicContact CG-CD1 4.29Å; Y132-L135 PolarHBondContact O-N 3.43Å
136	Q	98.3	Very high	96	Very high	62 Å²	62	67.6 Å²	67.6	29%	0.29	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134	165.3	178.3	172.3	91	0	0	108.9	P15 N115 E116 T118	P15-Q136 HydrophobicContact CB-CG 4.02Å; N115-Q136 WeakPolarHBondContact CA-O 3.37Å; E116-Q136 PolarHBondContact N-O 2.77Å; E116-Q136 PolarHBondContact O-N 2.91Å; T118-Q136 HydrophobicContact CG2-CB 3.55Å; T118-Q136 HydrophobicContact CG2-CG 4.37Å
137	R	98.3	Very high	96.2	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.8	174.4	-175.2	178.9	66.6	-139.2	0	109.2	P15 S16 F18 N20 P21 F22 V113 I139	P15-R137 WeakPolarHBondContact CA-O 3.27Å; P15-R137 WeakPolarHBondContact CB-O 3.41Å; S16-R137 PolarHBondContact N-O 3.28Å; S16-R137 PolarHBondContact O-N 2.81Å; F18-R137 PolarHBondContact O-NH1 2.82Å; F18-R137 VanDerWaalsContact O-NH1 3.1Å; N20-R137 PolarHBondContact O-NH1 2.83Å; N20-R137 PolarHBondContact O-NH2 2.86Å; P21-R137 PolarHBondContact O-NH2 3.27Å; F22-R137 VanDerWaalsContact CZ-CD 3.44Å; V113-R137 HydrophobicContact CG1-CG 3.28Å; R137-I139 HydrophobicContact CG-CG1 4.47Å
138	N	98.4	Very high	96.5	Very high	60 Å²	60	72.8 Å²	72.8	32%	0.321	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112.1	172.9	-177.4	14.2	0	0	0	110.4	N14 P15 V113 N114	N14-N138 PolarHBondContact ND2-OD1 3.37Å; P15-N138 HydrophobicContact CB-CB 4.04Å; V113-N138 WeakPolarHBondContact CA-O 3.29Å; N114-N138 PolarHBondContact N-O 3.41Å; N114-N138 PolarHBondContact O-N 2.79Å
139	I	98.5	Very high	96.7	Very high	4 Å²	4	69 Å²	69	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.9	176.3	-53.7	177.1	0	0	0	108.4	V11 N14 F22 F24 Y111 Y112 V113 R137 A141	V11-I139 HydrophobicContact CG1-CB 4.04Å; V11-I139 HydrophobicContact CG1-CD1 3.73Å; V11-I139 HydrophobicContact CG1-CG1 4.42Å; V11-I139 HydrophobicContact CG1-CG2 4.11Å; V11-I139 HydrophobicContact CG2-CG2 4.18Å; N14-I139 PolarHBondContact ND2-O 3.04Å; N14-I139 PolarHBondContact OD1-N 3.39Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.72Å; F22-I139 HydrophobicContact CE1-CG1 4.42Å; F24-I139 HydrophobicContact CZ-CD1 4.37Å; Y111-I139 HydrophobicContact CD1-CG2 4.09Å; Y111-I139 HydrophobicContact CG-CG2 3.87Å; Y112-I139 WeakPolarHBondContact O-CA 3.25Å; V113-I139 HydrophobicContact CG2-CG1 4.24Å; R137-I139 HydrophobicContact CG-CG1 4.47Å; I139-A141 PolarHBondContact O-N 3Å
140	L	97.5	Very high	96.8	Very high	75 Å²	75	71.3 Å²	71.3	39%	0.393	37%	0.37	S	S	.	.			trans	-75.7	71.6	177	-171.8	62.6	0	0	0	110.9	Y112 S142 N143	Y112-L140 PolarHBondContact O-N 3.11Å; L140-S142 PolarHBondContact O-N 3.01Å; L140-S142 VanDerWaalsContact O-N 3.13Å; L140-N143 HydrophobicContact CD2-CB 4.29Å; L140-N143 HydrophobicContact CG-CB 4.42Å; L140-N143 PolarHBondContact O-N 3.42Å
141	A	95.9	Very high	96.8	Very high	44 Å²	44	71.7 Å²	71.7	36%	0.364	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.7	-173.8	0	0	0	0	0	114.2	V11 I139 N143	V11-A141 HydrophobicContact CB-CB 3.86Å; V11-A141 HydrophobicContact CG2-CB 3.58Å; I139-A141 PolarHBondContact O-N 3Å; A141-N143 VanDerWaalsContact C-N 3.34Å; A141-N143 PolarHBondContact O-N 2.89Å
142	S	94.6	Very high	96.7	Very high	105 Å²	105	71.5 Å²	71.5	73%	0.734	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.5	-176.8	55.8	0	0	0	0	114.5	L140	L140-S142 PolarHBondContact O-N 3.01Å; L140-S142 VanDerWaalsContact O-N 3.13Å
143	N	94.1	Very high	96.6	Very high	72 Å²	72	70.7 Å²	70.7	39%	0.385	37%	0.367	S	S	.	.	S	Bend	trans	-134.8	63.6	-174.8	-164.2	8.5	0	0	0	112.3	L140 A141	L140-N143 HydrophobicContact CD2-CB 4.29Å; L140-N143 HydrophobicContact CG-CB 4.42Å; L140-N143 PolarHBondContact O-N 3.42Å; A141-N143 VanDerWaalsContact C-N 3.34Å; A141-N143 PolarHBondContact O-N 2.89Å
144	P	97.4	Very high	96.1	Very high	49 Å²	49	71.9 Å²	71.9	32%	0.318	36%	0.362	S	S	.	.			trans	-65.3	143.8	174.8	26.9	-32.7	0	0	0	111.3	I109 G110 Y111	I109-P144 HydrophobicContact CG2-CB 4.12Å; G110-P144 WeakPolarHBondContact O-CA 3.48Å; Y111-P144 HydrophobicContact CD1-CB 4.17Å; Y111-P144 HydrophobicContact CE1-CB 3.6Å; Y111-P144 HydrophobicContact CE1-CG 4.26Å
145	R	98.1	Very high	95	Very high	142 Å²	142	70.4 Å²	70.4	54%	0.536	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.8	169.7	-62.9	-61.5	178.9	171.2	-1.2	109	I109 G110	I109-R145 CarbonylContact C-O 3.58Å; I109-R145 WeakPolarHBondContact CA-O 3.36Å; G110-R145 PolarHBondContact N-O 2.93Å; G110-R145 PolarHBondContact O-N 2.89Å
146	V	98.1	Very high	93.3	Very high	71 Å²	71	73.7 Å²	73.7	43%	0.43	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.6	-178.8	-175.2	0	0	0	0	109.6	I107 R108 I109 R148	I107-V146 HydrophobicContact CD1-CG1 3.95Å; I107-V146 HydrophobicContact CG1-CG1 4.09Å; R108-V146 WeakPolarHBondContact O-CA 3.36Å; I109-V146 HydrophobicContact CG1-CG1 4.46Å; I109-V146 HydrophobicContact CG1-CG2 4.38Å; I109-V146 HydrophobicContact CG2-CG2 4.36Å; V146-R148 HydrophobicContact CG1-CG 4.32Å
147	T	97.9	Very high	91.3	Very high	69 Å²	69	75.4 Å²	75.4	42%	0.423	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.9	171.9	-53.8	0	0	0	0	108.7	I107 R108 F149	I107-T147 WeakPolarHBondContact CA-O 3.4Å; R108-T147 PolarHBondContact N-O 2.83Å; R108-T147 PolarHBondContact O-N 2.84Å; T147-F149 HydrophobicContact CG2-CE1 3.95Å; T147-F149 HydrophobicContact CG2-CE2 3.85Å; T147-F149 HydrophobicContact CG2-CZ 3.49Å; T147-F149 VanDerWaalsContact CG2-CZ 3.49Å
148	R	97.2	Very high	89.1	Confident	168 Å²	168	82 Å²	82	63%	0.634	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.9	-180	-63.9	177.7	-177.8	162.4	-0.8	109.5	F106 I107 V146	F106-R148 WeakPolarHBondContact O-CA 3.4Å; I107-R148 HydrophobicContact CD1-CG 4.48Å; I107-R148 HydrophobicContact CG1-CG 4.32Å; V146-R148 HydrophobicContact CG1-CG 4.32Å
149	F	96.6	Very high	86.5	Confident	92 Å²	92	87 Å²	87	40%	0.404	47%	0.469	S	S	.	.			trans	-118.4	145.6	179.2	-52.9	-86.8	0	0	0	109.6	E105 F106 R108 T147	E105-F149 HydrophobicContact CG-CD2 4.3Å; E105-F149 HydrophobicContact CG-CE2 4.41Å; E105-F149 WeakPolarHBondContact O-CB 3.28Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.45Å; F106-F149 PolarHBondContact O-N 3.27Å; R108-F149 HydrophobicContact CB-CE2 4.16Å; T147-F149 HydrophobicContact CG2-CE1 3.95Å; T147-F149 HydrophobicContact CG2-CE2 3.85Å; T147-F149 HydrophobicContact CG2-CZ 3.49Å; T147-F149 VanDerWaalsContact CG2-CZ 3.49Å
150	H	95.3	Very high	84	Confident	198 Å²	198	95.5 Å²	95.5	92%	0.917	51%	0.511	S	S	*	.			trans	-82.8	128.9	173.1	-70.8	85.8	0	0	0	108.8
151	I	95.6	Very high	81.4	Confident	22 Å²	22	98.8 Å²	98.8	11%	0.113	52%	0.524	C	S	.	.			trans	-128.6	161.9	179.7	68.8	159.3	0	0	0	111.1	Y101 Q104 E105 F106 W153	Y101-I151 HydrophobicContact CD1-CD1 4.31Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.31Å; Q104-I151 HydrophobicContact CB-CG2 3.62Å; E105-I151 VanDerWaalsContact O-CG2 3.25Å; E105-I151 WeakPolarHBondContact O-CG2 2.91Å; F106-I151 HydrophobicContact CB-CB 4.44Å; F106-I151 HydrophobicContact CB-CD1 3.79Å; F106-I151 HydrophobicContact CB-CG1 3.84Å; F106-I151 HydrophobicContact CB-CG2 3.74Å; F106-I151 HydrophobicContact CD1-CD1 4.03Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; I151-W153 HydrophobicContact CD1-CD2 4.04Å; I151-W153 HydrophobicContact CD1-CE3 4.26Å; I151-W153 HydrophobicContact CD1-CH2 4.09Å; I151-W153 HydrophobicContact CD1-CZ2 3.85Å; I151-W153 HydrophobicContact CD1-CZ3 4.28Å; I151-W153 HydrophobicContact CG1-CD2 4.11Å; I151-W153 HydrophobicContact CG1-CG 4.39Å; I151-W153 HydrophobicContact CG1-CZ2 3.86Å; I151-W153 VanDerWaalsContact O-CD1 3.27Å
152	N	94	Very high	78.9	Confident	50 Å²	50	103.9 Å²	103.9	27%	0.267	55%	0.545	S	S	.	.			trans	-84.8	112.1	170.6	179.7	4	0	0	0	111	Q104 E154 G155 S156	Q104-N152 PolarHBondContact NE2-O 2.94Å; Q104-N152 VanDerWaalsContact NE2-O 3.11Å; N152-E154 PolarHBondContact OD1-N 3.29Å; N152-G155 PolarHBondContact OD1-N 3.23Å; N152-S156 PolarHBondContact ND2-O 2.71Å
153	W	92.9	Very high	76.5	Confident	19 Å²	19	104.1 Å²	104.1	7%	0.072	55%	0.547	C	S	.	.	S	Bend	trans	-86.5	-23.2	179.9	-62.5	87.3	0	0	0	113.9	A2 K3 V4 L34 Y101 R102 F106 I151	A2-W153 HydrophobicContact CB-CZ2 4.02Å; K3-W153 HydrophobicContact CB-CD2 3.92Å; K3-W153 HydrophobicContact CB-CE3 3.67Å; K3-W153 HydrophobicContact CB-CH2 4.43Å; K3-W153 HydrophobicContact CB-CZ3 3.94Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.08Å; K3-W153 HydrophobicContact CD-CE3 3.99Å; K3-W153 HydrophobicContact CD-CG 3.98Å; K3-W153 VanDerWaalsContact CE-CB 3.45Å; K3-W153 HydrophobicContact CG-CB 4.12Å; K3-W153 HydrophobicContact CG-CD2 3.79Å; K3-W153 HydrophobicContact CG-CE3 3.92Å; K3-W153 HydrophobicContact CG-CG 3.88Å; V4-W153 HydrophobicContact CB-CH2 3.9Å; V4-W153 HydrophobicContact CB-CZ3 4.33Å; V4-W153 HydrophobicContact CG2-CH2 3.89Å; V4-W153 HydrophobicContact CG2-CZ3 3.8Å; L34-W153 HydrophobicContact CD1-CZ3 4.38Å; L34-W153 HydrophobicContact CD2-CE3 4.21Å; L34-W153 HydrophobicContact CD2-CZ3 4.44Å; Y101-W153 HydrophobicContact CD1-CD2 4.43Å; Y101-W153 AromaticContact CD1-CE3 3.57Å; Y101-W153 HydrophobicContact CD1-CE3 3.57Å; Y101-W153 AromaticContact CD1-CZ3 3.93Å; Y101-W153 HydrophobicContact CD1-CZ3 3.93Å; Y101-W153 AromaticContact CE1-CE3 3.97Å; Y101-W153 HydrophobicContact CE1-CE3 3.97Å; Y101-W153 HydrophobicContact CG-CE3 4.19Å; Y101-W153 HydrophobicContact CG-CZ3 4.07Å; R102-W153 PolarHBondContact NH1-O 3.04Å; F106-W153 HydrophobicContact CB-CZ2 4.32Å; F106-W153 HydrophobicContact CD1-CH2 4.01Å; F106-W153 HydrophobicContact CD1-CZ2 4.5Å; F106-W153 HydrophobicContact CD2-CH2 4.01Å; F106-W153 HydrophobicContact CD2-CZ2 4.15Å; F106-W153 HydrophobicContact CE1-CH2 4.11Å; F106-W153 HydrophobicContact CE2-CH2 4.11Å; F106-W153 AromaticContact CG-CH2 3.96Å; F106-W153 HydrophobicContact CG-CH2 3.96Å; F106-W153 HydrophobicContact CG-CZ2 4.08Å; F106-W153 HydrophobicContact CZ-CH2 4.15Å; I151-W153 HydrophobicContact CD1-CD2 4.04Å; I151-W153 HydrophobicContact CD1-CE3 4.26Å; I151-W153 HydrophobicContact CD1-CH2 4.09Å; I151-W153 HydrophobicContact CD1-CZ2 3.85Å; I151-W153 HydrophobicContact CD1-CZ3 4.28Å; I151-W153 HydrophobicContact CG1-CD2 4.11Å; I151-W153 HydrophobicContact CG1-CG 4.39Å; I151-W153 HydrophobicContact CG1-CZ2 3.86Å; I151-W153 VanDerWaalsContact O-CD1 3.27Å
154	E	86.7	Confident	73.9	Confident	126 Å²	126	109.2 Å²	109.2	59%	0.589	57%	0.568	S	S	*	*	S	Bend	trans	-90.1	-14.1	-173.2	-58.2	-57.6	163.6	0	0	113.3	K3 R102 N152 S156	K3-E154 VanDerWaalsContact CE-OE1 3.28Å; K3-E154 WeakPolarHBondContact CE-OE1 3.15Å; K3-E154 IonicContact NZ-OE1 3.01Å; K3-E154 PolarHBondContact NZ-OE1 3.22Å; K3-E154 IonicContact NZ-OE2 2.6Å; K3-E154 PolarHBondContact NZ-OE2 3.01Å; R102-E154 PolarHBondContact NH1-O 2.91Å; N152-E154 PolarHBondContact OD1-N 3.29Å; E154-S156 PolarHBondContact O-N 2.72Å
155	G	71.9	Confident	71.3	Confident	44 Å²	44	114.9 Å²	114.9	45%	0.454	60%	0.596	S	S	.	*			trans	75.7	6	172.3	0	0	0	0	0	114.2	N152 A157	N152-G155 PolarHBondContact OD1-N 3.23Å; G155-A157 PolarHBondContact O-N 2.6Å
156	S	62.6	Low	68.9	Low	74 Å²	74	114.3 Å²	114.3	52%	0.517	61%	0.608	S	S	.	*			trans	-72.9	108.6	165.3	48.8	0	0	0	0	108.7	N152 E154 D158	N152-S156 PolarHBondContact ND2-O 2.71Å; E154-S156 PolarHBondContact O-N 2.72Å; S156-D158 PolarHBondContact O-N 2.8Å
157	A	56.2	Low	66.3	Low	97 Å²	97	118 Å²	118	80%	0.802	63%	0.625	S	S	*	*			trans	-67	29.1	-174.1	0	0	0	0	0	115.9	G155	G155-A157 PolarHBondContact O-N 2.6Å
158	D	50.8	Low	63.4	Low	142 Å²	142	120.1 Å²	120.1	76%	0.759	64%	0.64	S	S	*	*			trans	-118.1	121.1	-179.2	-81.3	-47.5	0	0	0	111.7	S156	S156-D158 PolarHBondContact O-N 2.8Å
159	K	43.6	Very low	60.9	Low	165 Å²	165	117.4 Å²	117.4	72%	0.717	65%	0.647	S	S	*	*			trans	88	74.7	166.9	-52.9	-169.7	166.5	-146.8	0	117.9	E161	K159-E161 VanDerWaalsContact C-N 3.3Å; K159-E161 IonicContact NZ-OE1 3.11Å; K159-E161 PolarHBondContact NZ-OE1 3.34Å; K159-E161 PolarHBondContact O-N 3.27Å
160	M	46	Very low	58.1	Low	182 Å²	182	118.8 Å²	118.8	90%	0.897	67%	0.665	S	S	*	*			trans	-72.4	94.7	131.6	-91.7	176.8	172.7	0	0	106.9	D162	M160-D162 VanDerWaalsContact C-N 3.33Å; M160-D162 PolarHBondContact O-N 3.36Å
161	E	43	Very low	55.2	Low	143 Å²	143	117.1 Å²	117.1	67%	0.668	66%	0.663	S	S	*	*			trans	-77.6	97.4	155.7	-77.4	176.3	-168.7	0	0	105.3	K159 S163	K159-E161 VanDerWaalsContact C-N 3.3Å; K159-E161 IonicContact NZ-OE1 3.11Å; K159-E161 PolarHBondContact NZ-OE1 3.34Å; K159-E161 PolarHBondContact O-N 3.27Å; E161-S163 PolarHBondContact O-N 3.01Å
162	D	43.4	Very low	52.4	Low	152 Å²	152	122.6 Å²	122.6	81%	0.813	70%	0.697	S	S	*	*			trans	-53.4	129.1	161.9	-164	13.2	0	0	0	106.8	M160 E164	M160-D162 VanDerWaalsContact C-N 3.33Å; M160-D162 PolarHBondContact O-N 3.36Å; D162-E164 PolarHBondContact O-N 2.84Å
163	S	44.8	Very low	49.6	Very low	109 Å²	109	123.6 Å²	123.6	76%	0.762	72%	0.719	S	S	*	*			trans	-67.5	95	-174.6	-60	0	0	0	0	108.6	E161 N165	E161-S163 PolarHBondContact O-N 3.01Å; S163-N165 PolarHBondContact O-N 2.94Å; S163-N165 VanDerWaalsContact O-N 3.09Å
164	E	39.2	Very low	46.8	Very low	179 Å²	179	126.2 Å²	126.2	84%	0.836	75%	0.752	S	S	*	*			trans	-57.9	116.5	167.8	-80.5	-169.9	124.6	0	0	108.2	D162 V166	D162-E164 PolarHBondContact O-N 2.84Å; E164-V166 PolarHBondContact O-N 3.09Å
165	N	43.5	Very low	44.3	Very low	168 Å²	168	129.5 Å²	129.5	90%	0.898	77%	0.769	S	S	*	*			trans	-55.6	102.7	160.5	-90.2	-52.8	0	0	0	108	S163 D167	S163-N165 PolarHBondContact O-N 2.94Å; S163-N165 VanDerWaalsContact O-N 3.09Å; N165-D167 PolarHBondContact O-N 3.29Å
166	V	47.7	Very low	42.5	Very low	131 Å²	131	135.1 Å²	135.1	79%	0.794	79%	0.789	S	S	*	*			trans	-81.7	101	168.3	-175.3	0	0	0	0	107.4	E164	E164-V166 PolarHBondContact O-N 3.09Å
167	D	42.7	Very low	41.8	Very low	147 Å²	147	136.9 Å²	136.9	79%	0.786	80%	0.798	S	S	*	*			trans	-59.9	134.5	165.9	-109.2	-37	0	0	0	109.6	N165 S169	N165-D167 PolarHBondContact O-N 3.29Å; D167-S169 PolarHBondContact O-N 3.14Å; D167-S169 VanDerWaalsContact O-N 3.14Å
168	P	38.4	Very low	41.3	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	79%	0.794	S	S	*	*			trans	-74.2	110.2	179.6	29.3	-30.3	0	0	0	109.6
169	S	43.1	Very low	40.7	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	79%	0.793	S	S	*	*			trans	-63	131.7	172.5	57.7	0	0	0	0	111.5	D167	D167-S169 PolarHBondContact O-N 3.14Å; D167-S169 VanDerWaalsContact O-N 3.14Å
170	P	39.6	Very low	40.1	Very low	120 Å²	120	134.5 Å²	134.5	78%	0.779	80%	0.803	S	S	*	*			trans	-82.8	129.3	172.2	31.6	-29.6	0	0	0	110.9	V172	P170-V172 PolarHBondContact O-N 3.44Å
171	N	34.3	Very low	39.9	Very low	164 Å²	164	132.6 Å²	132.6	88%	0.877	80%	0.802	S	S	*	*			trans	-71.9	113.3	175.7	-163.8	22.5	0	0	0	110.4
172	V	36.3	Very low	39.8	Very low	137 Å²	137	132 Å²	132	83%	0.83	81%	0.81	S	S	*	*			trans	-139.3	120.2	162.4	-175.4	0	0	0	0	109.1	P170	P170-V172 PolarHBondContact O-N 3.44Å
173	G	33.9	Very low	39.3	Very low	71 Å²	71	128.3 Å²	128.3	73%	0.732	81%	0.808	S	S	*	*			trans	-81.7	172.6	-173.3	0	0	0	0	0	115.8
174	G	34.2	Very low	38.7	Very low	73 Å²	73	133 Å²	133	75%	0.753	81%	0.814	S	S	*	*			trans	93	121.1	150.3	0	0	0	0	0	117.2
175	M	35.7	Very low	38.5	Very low	195 Å²	195	132.8 Å²	132.8	96%	0.961	82%	0.816	S	S	*	*			trans	93.3	100.2	149.9	-53.2	174.4	81	0	0	118.2
176	L	34	Very low	38.1	Very low	163 Å²	163	130.9 Å²	130.9	85%	0.853	81%	0.812	S	S	*	*			trans	-64.7	175	144.9	-77.7	159.9	0	0	0	110.7
177	P	46.8	Very low	37.4	Very low	110 Å²	110	128.4 Å²	128.4	71%	0.714	81%	0.805	S	S	*	*			cis	-136.8	-149.4	-0.5	36.3	-12	0	0	0	111
178	P	46.3	Very low	36.9	Very low	111 Å²	111	129.9 Å²	129.9	72%	0.721	81%	0.812	S	S	*	*			cis	-128.9	166.9	-18.7	21.4	3.6	0	0	0	116.7
179	S	38.2	Very low	36.5	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	81%	0.81	S	S	*	*			trans	-21	144.6	159.8	55.1	0	0	0	0	121.5
180	C	30.5	Very low	36.1	Very low	137 Å²	137	131.9 Å²	131.9	93%	0.926	82%	0.817	S	S	*	*			trans	-153.3	143.7	139.8	-96.2	0	0	0	0	111.8
181	V	41.5	Very low	36.1	Very low	142 Å²	142	134.8 Å²	134.8	86%	0.861	82%	0.823	S	S	*	*			trans	-81.3	164.5	-164.5	-104.5	0	0	0	0	115.1
182	P	41.1	Very low	36.8	Very low	131 Å²	131	132.2 Å²	132.2	85%	0.851	82%	0.815	S	S	*	*			trans	-87.4	143.7	-169.5	34.5	-32.5	0	0	0	113.8
183	G	32.7	Very low	36.8	Very low	73 Å²	73	133 Å²	133	75%	0.753	82%	0.815	S	S	*	*			trans	-153.3	103	179.4	0	0	0	0	0	115.3
184	K	32.5	Very low	37.2	Very low	208 Å²	208	136.9 Å²	136.9	90%	0.904	82%	0.818	S	S	*	*			trans	55.1	115.2	147.1	-78.1	177.4	171.9	176.4	0	121
185	M	34.8	Very low	37.8	Very low	175 Å²	175	138.2 Å²	138.2	86%	0.862	82%	0.816	S	S	*	*			trans	-51.1	155.5	149.5	-102	-170.9	-88.2	0	0	112.6
186	P	34.9	Very low	38.5	Very low	128 Å²	128	137.1 Å²	137.1	83%	0.831	81%	0.811	S	S	*	*				-129.3	158	109.7	14.1	6	0	0	0	113.9
187	A	33.8	Very low	38.9	Very low	78 Å²	78	136.6 Å²	136.6	65%	0.645	81%	0.809	S	S	*	*			trans	-89.8	173.2	-177.2	0	0	0	0	0	113.5
188	L	31.8	Very low	38.6	Very low	179 Å²	179	136.8 Å²	136.8	94%	0.937	81%	0.812	S	S	*	*			trans	84.9	124.3	157	-103.5	89.2	0	0	0	118.8
189	G	31.5	Very low	38.6	Very low	67 Å²	67	144.2 Å²	144.2	69%	0.691	84%	0.84	S	S	*	*			trans	146.9	96.1	139.8	0	0	0	0	0	116.8
190	Q	33.8	Very low	38.6	Very low	201 Å²	201	146.1 Å²	146.1	94%	0.939	85%	0.845	S	S	*	*			trans	66.4	119.4	141.4	-80	167.1	-43.8	0	0	121.8
191	M	38.9	Very low	39	Very low	181 Å²	181	146.6 Å²	146.6	89%	0.892	84%	0.841	S	S	*	*			trans	-55.9	176.3	150.8	-57.7	-99	166.3	0	0	111.4
192	P	49.5	Very low	38.9	Very low	110 Å²	110	146.8 Å²	146.8	71%	0.714	84%	0.839	S	S	*	*			cis	-127.7	-174.4	3.1	34.4	-10.7	0	0	0	110.9
193	D	37.1	Very low	38.8	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	84%	0.839	S	S	*	*				178.4	158.2	80.6	-140.5	-39.1	0	0	0	111.3
194	N	41.8	Very low	39.2	Very low	152 Å²	152	152.4 Å²	152.4	81%	0.813	84%	0.844	S	S	*	*			trans	-88.1	141	-175.5	-145.6	17.4	0	0	0	110.2
195	S	46.6	Very low	39.6	Very low	102 Å²	102	148.7 Å²	148.7	71%	0.713	84%	0.84	S	S	*	*			trans	170.1	107.9	161.2	157.3	0	0	0	0	106
196	M	49.9	Very low	39.9	Very low	171 Å²	171	146.9 Å²	146.9	84%	0.842	84%	0.839	S	S	*	*				44.1	90.9	61.7	-151.1	118.5	-176.8	0	0	111.4
197	D	42.9	Very low	40.3	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	84%	0.839	S	S	*	*				-168.3	147.1	128	-100.1	-44.4	0	0	0	112.8
198	C	40.5	Very low	40.9	Very low	115 Å²	115	154.2 Å²	154.2	78%	0.777	86%	0.855	S	S	*	*			trans	-63.8	146.5	-174.4	-55.4	0	0	0	0	113.8
199	M	46	Very low	41.7	Very low	267 Å²	267	151.9 Å²	151.9	100%	1.315	85%	0.848	S	S	*	*				-159.1	0	115.6	-83.8	-141.2	177	0	0	110.1

Retrieved 199 of 199 residues in 91.5 ms (Link to these results)

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