A0A3Q0KM10_SCHMA Loading...

Putative rab15, 13, 10, 1, 35, 5, and AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KM10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.1	Low	47.2	Very low	226 Å²	226	157 Å²	157	100%	1.113	81%	0.805	S	S	*	*				0	92.2	0	-173.3	179	-78.2	0	0	106.8	V3	M1-V3 HydrophobicContact CG-CG2 4.47Å; M1-V3 PolarHBondContact O-N 3.03Å
2	F	50.9	Low	50.2	Low	211 Å²	211	152.4 Å²	152.4	93%	0.925	80%	0.798	S	S	*	*			trans	-79.7	107.3	170.5	-95.1	-96.7	0	0	0	106.2	P4	F2-P4 WeakPolarHBondContact O-CD 3.41Å
3	V	45	Very low	53.2	Low	115 Å²	115	143.2 Å²	143.2	70%	0.697	75%	0.749	S	S	*	*			trans	-79.2	115	165	-167.2	0	0	0	0	104.5	M1 Q5	M1-V3 HydrophobicContact CG-CG2 4.47Å; M1-V3 PolarHBondContact O-N 3.03Å; V3-Q5 PolarHBondContact O-N 2.96Å; V3-Q5 VanDerWaalsContact O-N 3.08Å
4	P	42.2	Very low	56.2	Low	109 Å²	109	136.4 Å²	136.4	71%	0.708	71%	0.714	S	S	*	*			trans	-61	119.8	176.5	-13.9	27.9	0	0	0	106.7	F2 M6	F2-P4 WeakPolarHBondContact O-CD 3.41Å; P4-M6 PolarHBondContact O-N 3.38Å
5	Q	40.4	Very low	58.8	Low	189 Å²	189	133.7 Å²	133.7	88%	0.883	70%	0.696	S	S	*	*			trans	-60.3	113.5	162.1	-71.8	-163.1	-40.4	0	0	105.1	V3 D7	V3-Q5 PolarHBondContact O-N 2.96Å; V3-Q5 VanDerWaalsContact O-N 3.08Å; Q5-D7 PolarHBondContact O-N 2.74Å
6	M	40.1	Very low	61.2	Low	178 Å²	178	125.4 Å²	125.4	88%	0.877	65%	0.652	S	S	*	*			trans	-48.9	113.2	165.5	-78	178.3	160.9	0	0	105.4	P4 Q8	P4-M6 PolarHBondContact O-N 3.38Å; M6-Q8 VanDerWaalsContact C-N 3.33Å; M6-Q8 PolarHBondContact O-N 3.01Å
7	D	42.3	Very low	63.2	Low	139 Å²	139	119.6 Å²	119.6	74%	0.743	62%	0.621	S	S	*	*			trans	-44.6	107.8	167.5	-173.2	18.1	0	0	0	105.1	Q5 T9	Q5-D7 PolarHBondContact O-N 2.74Å; D7-T9 PolarHBondContact O-N 2.84Å
8	Q	46	Very low	65.1	Low	170 Å²	170	112.9 Å²	112.9	79%	0.794	59%	0.586	S	S	*	*			trans	-61.3	94.3	165.5	-74	179	11.5	0	0	101.5	M6 E10	M6-Q8 VanDerWaalsContact C-N 3.33Å; M6-Q8 PolarHBondContact O-N 3.01Å; Q8-E10 VanDerWaalsContact C-N 3.25Å; Q8-E10 PolarHBondContact O-N 2.89Å
9	T	47	Very low	66.6	Low	103 Å²	103	107 Å²	107	63%	0.632	56%	0.556	S	S	*	*			trans	-43.2	108	164.7	45.1	0	0	0	0	103.2	D7 T11	D7-T9 PolarHBondContact O-N 2.84Å; T9-T11 PolarHBondContact O-N 3.01Å
10	E	51.9	Low	68	Low	188 Å²	188	101.7 Å²	101.7	88%	0.879	53%	0.528	S	S	*	.			trans	-62.6	91.1	-177.9	-74.5	-164.9	162.3	0	0	104.2	Q8 S12	Q8-E10 VanDerWaalsContact C-N 3.25Å; Q8-E10 PolarHBondContact O-N 2.89Å; E10-S12 PolarHBondContact O-N 2.85Å
11	T	62.8	Low	69.2	Low	99 Å²	99	96.8 Å²	96.8	61%	0.607	50%	0.503	S	S	*	.			trans	-69.9	94.8	-179.2	35.8	0	0	0	0	103.7	T9 D13	T9-T11 PolarHBondContact O-N 3.01Å; T11-D13 PolarHBondContact O-N 3.08Å
12	S	83.5	Confident	71.3	Confident	102 Å²	102	86 Å²	86	71%	0.713	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-50.1	130	-176.8	58.9	0	0	0	0	109.1	E10 I14	E10-S12 PolarHBondContact O-N 2.85Å; S12-I14 PolarHBondContact O-N 3.37Å
13	D	89	Confident	73.3	Confident	32 Å²	32	76.9 Å²	76.9	17%	0.171	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-50.5	128.1	179.1	-66.3	-10.2	0	0	0	110.2	T11 H15 R63 K65	T11-D13 PolarHBondContact O-N 3.08Å; D13-H15 PolarHBondContact O-CD2 2.72Å; D13-H15 VanDerWaalsContact O-CD2 3.27Å; D13-H15 PolarHBondContact O-N 2.92Å; D13-R63 WeakPolarHBondContact OD1-CD 3.44Å; D13-R63 WeakPolarHBondContact OD1-CG 3.49Å; D13-R63 IonicContact OD1-CZ 3.61Å; D13-R63 IonicContact OD1-NE 3.42Å; D13-R63 PolarHBondContact OD1-NE 3.37Å; D13-R63 IonicContact OD1-NH1 3.36Å; D13-R63 PolarHBondContact OD1-NH1 3.19Å; D13-K65 HydrophobicContact CB-CB 4.19Å; D13-K65 IonicContact OD2-NZ 3.5Å; D13-K65 PolarHBondContact OD2-NZ 2.72Å
14	I	95	Very high	75.4	Confident	48 Å²	48	75 Å²	75	25%	0.246	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.4	171.2	-63.1	-172.6	0	0	0	108.1	S12 L16 T62 R63 V64 K65 L177 L181	S12-I14 PolarHBondContact O-N 3.37Å; I14-L16 HydrophobicContact CG2-CD2 4.29Å; I14-L16 HydrophobicContact CG2-CG 4.34Å; I14-T62 HydrophobicContact CB-CG2 4.45Å; I14-T62 HydrophobicContact CD1-CG2 3.63Å; I14-T62 HydrophobicContact CG1-CG2 4.08Å; I14-R63 PolarHBondContact N-O 3.45Å; I14-V64 CarbonylContact O-C 3.59Å; I14-V64 VanDerWaalsContact O-CA 3.26Å; I14-V64 WeakPolarHBondContact O-CA 3.47Å; I14-K65 PolarHBondContact O-N 2.8Å; I14-L177 HydrophobicContact CD1-CD1 3.87Å; I14-L177 HydrophobicContact CG2-CD1 4.02Å; I14-L181 HydrophobicContact CD1-CD2 4.21Å
15	H	95.4	Very high	77.7	Confident	97 Å²	97	73.8 Å²	73.8	45%	0.449	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126	175.7	-68.2	-109.1	0	0	0	110.2	D13 K65	D13-H15 PolarHBondContact O-CD2 2.72Å; D13-H15 VanDerWaalsContact O-CD2 3.27Å; D13-H15 PolarHBondContact O-N 2.92Å; H15-K65 WeakPolarHBondContact CA-O 3.44Å
16	L	97.2	Very high	80.3	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.6	171.2	-66.5	-177.3	0	0	0	110.1	I14 V64 K65 L66 Q67 H89 T173 A176 L177 R180	I14-L16 HydrophobicContact CG2-CD2 4.29Å; I14-L16 HydrophobicContact CG2-CG 4.34Å; L16-V64 HydrophobicContact CB-CG1 4.09Å; L16-V64 HydrophobicContact CD1-CG1 3.76Å; L16-V64 HydrophobicContact CG-CG1 3.88Å; L16-K65 PolarHBondContact N-O 3.11Å; L16-K65 VanDerWaalsContact N-O 3.11Å; L16-L66 HydrophobicContact CB-CD1 3.96Å; L16-Q67 PolarHBondContact O-N 3.32Å; L16-H89 HydrophobicContact CB-CB 4.49Å; L16-H89 HydrophobicContact CD2-CB 3.91Å; L16-T173 HydrophobicContact CD1-CG2 4.09Å; L16-A176 HydrophobicContact CD1-CB 4.14Å; L16-L177 HydrophobicContact CD1-CB 3.93Å; L16-R180 HydrophobicContact CD2-CB 4.42Å
17	K	95.8	Very high	82.9	Confident	27 Å²	27	56.8 Å²	56.8	12%	0.117	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.6	177	-178.5	179.4	171.3	-171.8	0	109.9	Q67 Y84 R86 H89 G90	K17-Q67 CarbonylContact C-O 3.49Å; K17-Q67 WeakPolarHBondContact CA-O 3.45Å; K17-Y84 WeakPolarHBondContact CE-O 3.3Å; K17-Y84 PolarHBondContact NZ-O 3.21Å; K17-R86 PolarHBondContact NZ-O 2.89Å; K17-H89 PolarHBondContact N-ND1 3.16Å; K17-H89 VanDerWaalsContact N-ND1 3.2Å; K17-H89 PolarHBondContact O-N 3.22Å; K17-G90 PolarHBondContact O-N 3.47Å
18	L	96.6	Very high	85.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142	170.3	-58.9	-173	0	0	0	110.6	L66 Q67 I68 W69 G90 I92 F169 I172	L18-L66 HydrophobicContact CD1-CD1 3.62Å; L18-L66 HydrophobicContact CD1-CD2 3.73Å; L18-L66 HydrophobicContact CD1-CG 3.9Å; L18-L66 HydrophobicContact CD2-CD1 4.31Å; L18-L66 HydrophobicContact CG-CD1 3.57Å; L18-L66 HydrophobicContact CG-CG 4.14Å; L18-Q67 PolarHBondContact N-O 3.02Å; L18-I68 HydrophobicContact CB-CG2 4.49Å; L18-W69 PolarHBondContact O-N 2.98Å; L18-G90 VanDerWaalsContact CA-O 3.31Å; L18-G90 WeakPolarHBondContact CA-O 3.38Å; L18-I92 HydrophobicContact CD1-CD1 4.13Å; L18-F169 HydrophobicContact CD1-CD1 4.08Å; L18-F169 HydrophobicContact CD1-CE1 4.39Å; L18-I172 HydrophobicContact CD1-CG2 3.88Å; L18-I172 HydrophobicContact CD2-CG1 4.2Å
19	L	94.9	Very high	87.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.8	176.3	-174.2	67.2	0	0	0	109.8	I21 W69 T71 Y85 G90 I91 I92	L19-I21 HydrophobicContact CD2-CG2 3.87Å; L19-I21 HydrophobicContact CG-CG2 3.83Å; L19-W69 HydrophobicContact CD1-CB 3.68Å; L19-T71 HydrophobicContact CD1-CG2 3.51Å; L19-T71 HydrophobicContact CG-CG2 4.33Å; L19-Y85 HydrophobicContact CD2-CD1 3.63Å; L19-Y85 HydrophobicContact CD2-CD2 4.35Å; L19-Y85 HydrophobicContact CD2-CE1 3.77Å; L19-Y85 HydrophobicContact CD2-CG 3.94Å; L19-G90 PolarHBondContact N-O 2.65Å; L19-I91 WeakPolarHBondContact O-CA 3.08Å; L19-I92 PolarHBondContact O-N 3.42Å
20	L	94.6	Very high	89.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.8	170.5	-71.6	87.7	0	0	0	109.5	K28 I68 W69 T71 I92	L20-K28 HydrophobicContact CB-CB 4.28Å; L20-K28 HydrophobicContact CB-CD 4.22Å; L20-K28 HydrophobicContact CB-CG 4.47Å; L20-K28 HydrophobicContact CD2-CB 4.01Å; L20-K28 WeakPolarHBondContact CD2-O 3.45Å; L20-I68 HydrophobicContact CD1-CG2 3.14Å; L20-W69 PolarHBondContact N-O 2.79Å; L20-T71 WeakPolarHBondContact O-CG2 3.34Å; L20-T71 PolarHBondContact O-OG1 2.63Å; L20-I92 WeakPolarHBondContact CA-O 3.26Å; L20-I92 HydrophobicContact CD1-CD1 4.28Å; L20-I92 HydrophobicContact CG-CB 4.23Å; L20-I92 HydrophobicContact CG-CD1 4.19Å; L20-I92 HydrophobicContact CG-CG2 4.48Å
21	I	93.3	Very high	91.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	164.8	176	70.1	174.9	0	0	0	110.5	L19 Y85 I91 I92 I93 V94 W109 A113	L19-I21 HydrophobicContact CD2-CG2 3.87Å; L19-I21 HydrophobicContact CG-CG2 3.83Å; I21-Y85 HydrophobicContact CD1-CE1 4.06Å; I21-Y85 WeakPolarHBondContact CD1-OH 3.5Å; I21-Y85 HydrophobicContact CG2-CE1 4.21Å; I21-I91 HydrophobicContact CD1-CG2 3.71Å; I21-I91 HydrophobicContact CG1-CG2 3.95Å; I21-I92 PolarHBondContact N-O 3.45Å; I21-I93 HydrophobicContact CD1-CD1 4.41Å; I21-I93 HydrophobicContact CD1-CG1 3.95Å; I21-I93 HydrophobicContact CG1-CB 4.32Å; I21-I93 HydrophobicContact CG1-CG1 3.93Å; I21-I93 HydrophobicContact CG1-CG2 4.35Å; I21-V94 PolarHBondContact O-N 2.89Å; I21-W109 HydrophobicContact CB-CE3 4.02Å; I21-W109 HydrophobicContact CB-CZ3 4.38Å; I21-W109 HydrophobicContact CD1-CB 3.96Å; I21-W109 HydrophobicContact CD1-CE3 4.16Å; I21-W109 HydrophobicContact CG1-CB 4.41Å; I21-W109 HydrophobicContact CG1-CE3 4.35Å; I21-A113 HydrophobicContact CD1-CB 4.31Å
22	G	93.6	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.7	170	-175.5	0	0	0	0	0	111.6	K28 V94 W109	G22-K28 PolarHBondContact O-NZ 3.33Å; G22-V94 WeakPolarHBondContact CA-O 3.31Å; G22-W109 VanDerWaalsContact CA-CE2 3.47Å; G22-W109 VanDerWaalsContact O-CZ2 3.23Å; G22-W109 WeakPolarHBondContact O-CZ2 3.48Å
23	D	92.3	Very high	93.9	Very high	19 Å²	19	27 Å²	27	10%	0.102	14%	0.142	C	C	.	.	S	Bend	trans	-58.7	163	-178.8	-78.8	7.7	0	0	0	112	V26 K28 T102 N105 W109	D23-V26 HydrophobicContact CB-CG1 3.81Å; D23-V26 VanDerWaalsContact O-CG2 3.27Å; D23-V26 WeakPolarHBondContact O-CG2 3.48Å; D23-K28 PolarHBondContact O-NZ 3.5Å; D23-T102 HydrophobicContact CB-CG2 4.1Å; D23-N105 PolarHBondContact OD2-ND2 2.89Å; D23-W109 PolarHBondContact OD1-NE1 2.96Å
24	M	89.8	Confident	94.3	Very high	74 Å²	74	27.2 Å²	27.2	37%	0.365	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	147.7	170.6	-173.8	174.5	67	0	0	109.9	V26 Y44 Q74	M24-V26 PolarHBondContact O-N 2.78Å; M24-V26 VanDerWaalsContact O-N 3.13Å; M24-Y44 WeakPolarHBondContact CG-OH 3.19Å; M24-Q74 HydrophobicContact SD-CG 3.75Å; M24-Q74 PolarHBondContact SD-OE1 3.26Å
25	N	90.3	Very high	94.4	Very high	85 Å²	85	25.7 Å²	25.7	46%	0.455	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	11.7	174.5	-161.1	27.3	0	0	0	116.8	G27 Y44 K129	N25-G27 PolarHBondContact O-N 3.12Å; N25-Y44 HydrophobicContact CB-CE2 3.84Å; N25-Y44 VanDerWaalsContact OD1-CD2 3.3Å; N25-Y44 WeakPolarHBondContact OD1-CD2 3.16Å; N25-Y44 WeakPolarHBondContact OD1-CE2 3.49Å; N25-K129 VanDerWaalsContact O-CE 3.26Å; N25-K129 WeakPolarHBondContact O-CE 3.2Å; N25-K129 PolarHBondContact O-NZ 3.42Å
26	V	94.5	Very high	94.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-73.6	-9.9	170.6	-57.2	0	0	0	0	113.1	D23 M24 K28 V94 D96 T102 N128	D23-V26 HydrophobicContact CB-CG1 3.81Å; D23-V26 VanDerWaalsContact O-CG2 3.27Å; D23-V26 WeakPolarHBondContact O-CG2 3.48Å; M24-V26 PolarHBondContact O-N 2.78Å; M24-V26 VanDerWaalsContact O-N 3.13Å; V26-K28 HydrophobicContact CG2-CD 4.39Å; V26-K28 HydrophobicContact CG2-CG 3.67Å; V26-V94 HydrophobicContact CB-CG1 4.11Å; V26-V94 HydrophobicContact CG2-CB 3.75Å; V26-V94 HydrophobicContact CG2-CG1 3.72Å; V26-D96 HydrophobicContact CG1-CB 4.44Å; V26-T102 HydrophobicContact CG1-CG2 3.78Å; V26-N128 PolarHBondContact O-ND2 3.26Å
27	G	94.5	Very high	94.1	Very high	10 Å²	10	27.3 Å²	27.3	10%	0.103	14%	0.144	C	C	.	.	S	Bend	trans	93.4	25.5	177.1	0	0	0	0	0	115.8	N25 S29 S30 L31	N25-G27 PolarHBondContact O-N 3.12Å; G27-S29 PolarHBondContact O-N 3.45Å; G27-S30 PolarHBondContact O-N 3.17Å; G27-L31 WeakPolarHBondContact O-CG 3.29Å; G27-L31 PolarHBondContact O-N 3.41Å
28	K	94.1	Very high	93.9	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	17%	0.167	C	C	.	.	H	α-helix	trans	-51.9	-52.9	174.2	-59.4	-173.2	-64.8	-77.1	0	112.3	L20 G22 D23 V26 S30 L31 L32 D70 T71 V94	L20-K28 HydrophobicContact CB-CB 4.28Å; L20-K28 HydrophobicContact CB-CD 4.22Å; L20-K28 HydrophobicContact CB-CG 4.47Å; L20-K28 HydrophobicContact CD2-CB 4.01Å; L20-K28 WeakPolarHBondContact CD2-O 3.45Å; G22-K28 PolarHBondContact O-NZ 3.33Å; D23-K28 PolarHBondContact O-NZ 3.5Å; V26-K28 HydrophobicContact CG2-CD 4.39Å; V26-K28 HydrophobicContact CG2-CG 3.67Å; K28-S30 VanDerWaalsContact C-N 3.33Å; K28-S30 PolarHBondContact O-N 3.21Å; K28-L31 PolarHBondContact O-N 3.19Å; K28-L32 PolarHBondContact O-N 3.36Å; K28-D70 VanDerWaalsContact CB-OD1 3.25Å; K28-D70 WeakPolarHBondContact CB-OD1 3.27Å; K28-T71 WeakPolarHBondContact CE-O 3.43Å; K28-V94 HydrophobicContact CG-CB 4.05Å; K28-V94 HydrophobicContact CG-CG2 4.04Å
29	S	92.8	Very high	93.7	Very high	41 Å²	41	32.2 Å²	32.2	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-66.8	-34.5	179.4	-43	0	0	0	0	112.3	G27 L32 F33 T47 D70	G27-S29 PolarHBondContact O-N 3.45Å; S29-L32 PolarHBondContact O-N 3.42Å; S29-F33 VanDerWaalsContact O-CB 3.3Å; S29-F33 WeakPolarHBondContact O-CB 3.34Å; S29-F33 PolarHBondContact O-N 3.49Å; S29-T47 PolarHBondContact OG-OG1 3.27Å; S29-D70 WeakPolarHBondContact CA-OD2 3.45Å; S29-D70 VanDerWaalsContact CB-OD2 3.24Å; S29-D70 WeakPolarHBondContact CB-OD2 3.34Å; S29-D70 PolarHBondContact OG-OD2 2.8Å
30	S	94.4	Very high	93.4	Very high	39 Å²	39	35.2 Å²	35.2	27%	0.273	19%	0.187	S	C	.	.	H	α-helix	trans	-66.3	-40.5	175.5	-50.2	0	0	0	0	112	G27 K28 L32 F33 R34	G27-S30 PolarHBondContact O-N 3.17Å; K28-S30 VanDerWaalsContact C-N 3.33Å; K28-S30 PolarHBondContact O-N 3.21Å; S30-L32 VanDerWaalsContact C-N 3.35Å; S30-F33 PolarHBondContact O-N 2.94Å; S30-R34 WeakPolarHBondContact O-CB 3.32Å; S30-R34 PolarHBondContact O-N 3.27Å
31	L	96.2	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-42.9	172.9	-75.1	168.1	0	0	0	111.3	G27 K28 Y35 V94 V126 N128 A159 V165	G27-L31 WeakPolarHBondContact O-CG 3.29Å; G27-L31 PolarHBondContact O-N 3.41Å; K28-L31 PolarHBondContact O-N 3.19Å; L31-Y35 VanDerWaalsContact O-CB 3.31Å; L31-Y35 WeakPolarHBondContact O-CB 3.32Å; L31-Y35 PolarHBondContact O-N 3.24Å; L31-V94 HydrophobicContact CD1-CG1 3.97Å; L31-V94 HydrophobicContact CD1-CG2 4.13Å; L31-V126 HydrophobicContact CD1-CG1 4.23Å; L31-N128 HydrophobicContact CD1-CB 4.2Å; L31-A159 HydrophobicContact CD2-CB 3.97Å; L31-A159 HydrophobicContact CG-CB 4.21Å; L31-V165 HydrophobicContact CD2-CG1 4.19Å; L31-V165 HydrophobicContact CD2-CG2 3.83Å
32	L	94.9	Very high	92.4	Very high	4 Å²	4	44 Å²	44	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-45.5	177.4	-177.7	59.5	0	0	0	111.8	K28 S29 S30 Y35 I36 K53 I68 D70	K28-L32 PolarHBondContact O-N 3.36Å; S29-L32 PolarHBondContact O-N 3.42Å; S30-L32 VanDerWaalsContact C-N 3.35Å; L32-Y35 PolarHBondContact O-N 2.98Å; L32-I36 HydrophobicContact CD1-CD1 4.19Å; L32-I36 HydrophobicContact CD1-CG1 3.52Å; L32-I36 HydrophobicContact CG-CG1 4.17Å; L32-I36 WeakPolarHBondContact O-CB 3.35Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3Å; L32-K53 HydrophobicContact CD1-CB 4.22Å; L32-K53 HydrophobicContact CD1-CG 4.4Å; L32-K53 HydrophobicContact CD2-CB 4.26Å; L32-K53 HydrophobicContact CD2-CG 3.79Å; L32-K53 HydrophobicContact CG-CG 4.19Å; L32-I68 HydrophobicContact CD1-CB 3.95Å; L32-I68 HydrophobicContact CD1-CD1 3.79Å; L32-I68 HydrophobicContact CD1-CG1 4.5Å; L32-I68 HydrophobicContact CD1-CG2 3.71Å; L32-D70 HydrophobicContact CD2-CB 3.66Å
33	F	93.5	Very high	91.6	Very high	82 Å²	82	49.1 Å²	49.1	36%	0.36	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-44.4	178.8	-177.4	-133.3	0	0	0	111.6	S29 S30 Y35 D37 D38 G39	S29-F33 VanDerWaalsContact O-CB 3.3Å; S29-F33 WeakPolarHBondContact O-CB 3.34Å; S29-F33 PolarHBondContact O-N 3.49Å; S30-F33 PolarHBondContact O-N 2.94Å; F33-Y35 VanDerWaalsContact C-N 3.34Å; F33-Y35 PolarHBondContact O-N 3.47Å; F33-D37 HydrophobicContact CD2-CB 3.58Å; F33-D37 WeakPolarHBondContact CD2-OD2 3.41Å; F33-D37 HydrophobicContact CE2-CB 3.45Å; F33-D37 VanDerWaalsContact CE2-CB 3.45Å; F33-D37 HydrophobicContact CZ-CB 4.5Å; F33-D37 WeakPolarHBondContact O-CA 3.25Å; F33-D37 WeakPolarHBondContact O-CB 3.18Å; F33-D37 PolarHBondContact O-N 3.08Å; F33-D38 PolarHBondContact O-N 3.27Å; F33-G39 VanDerWaalsContact CD1-C 3.5Å; F33-G39 WeakPolarHBondContact CD1-O 3.39Å; F33-G39 VanDerWaalsContact CE1-C 3.44Å
34	R	96	Very high	90.3	Very high	37 Å²	37	53.9 Å²	53.9	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-47.7	172.3	174.5	55.5	69.3	-169.1	2.3	111.3	S30 D38 G39 F40 A159 D162 V165	S30-R34 WeakPolarHBondContact O-CB 3.32Å; S30-R34 PolarHBondContact O-N 3.27Å; R34-D38 IonicContact CZ-OD1 3.59Å; R34-D38 PolarHBondContact NH1-O 3.22Å; R34-D38 IonicContact NH1-OD1 3.5Å; R34-D38 PolarHBondContact NH1-OD1 3.08Å; R34-D38 WeakPolarHBondContact O-CA 3.33Å; R34-D38 PolarHBondContact O-N 3.5Å; R34-D38 VanDerWaalsContact O-N 3.1Å; R34-G39 WeakPolarHBondContact CA-O 3.49Å; R34-G39 PolarHBondContact N-O 3.42Å; R34-F40 VanDerWaalsContact NH2-CB 3.34Å; R34-A159 PolarHBondContact NE-O 3.42Å; R34-A159 VanDerWaalsContact NE-O 3.16Å; R34-D162 VanDerWaalsContact CD-OD1 3.31Å; R34-D162 WeakPolarHBondContact CD-OD1 3.26Å; R34-D162 WeakPolarHBondContact CG-OD1 3.35Å; R34-V165 HydrophobicContact CB-CG1 4.29Å; R34-V165 HydrophobicContact CG-CB 4.09Å; R34-V165 HydrophobicContact CG-CG1 3.93Å; R34-V165 HydrophobicContact CG-CG2 3.95Å
35	Y	96.9	Very high	89.3	Confident	16 Å²	16	58 Å²	58	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-69.4	-38.2	-176.3	-176.9	-121.6	0	0	0	114.2	L31 L32 F33 K55 V57 L66 I68 D166 F169	L31-Y35 VanDerWaalsContact O-CB 3.31Å; L31-Y35 WeakPolarHBondContact O-CB 3.32Å; L31-Y35 PolarHBondContact O-N 3.24Å; L32-Y35 PolarHBondContact O-N 2.98Å; F33-Y35 VanDerWaalsContact C-N 3.34Å; F33-Y35 PolarHBondContact O-N 3.47Å; Y35-K55 HydrophobicContact CD1-CD 4.08Å; Y35-K55 HydrophobicContact CE1-CD 3.63Å; Y35-K55 HydrophobicContact CE2-CD 4.41Å; Y35-K55 PolarHBondContact O-NZ 2.93Å; Y35-V57 WeakPolarHBondContact OH-CG1 3.33Å; Y35-L66 HydrophobicContact CE1-CD2 4.24Å; Y35-I68 HydrophobicContact CD1-CD1 3.87Å; Y35-I68 HydrophobicContact CE1-CD1 3.88Å; Y35-D166 WeakPolarHBondContact CD2-OD1 3.26Å; Y35-D166 WeakPolarHBondContact CE2-OD1 3.29Å; Y35-F169 VanDerWaalsContact CB-CE2 3.4Å; Y35-F169 HydrophobicContact CD1-CB 4.31Å; Y35-F169 AromaticContact CD1-CD1 3.93Å; Y35-F169 HydrophobicContact CD1-CD1 3.93Å; Y35-F169 AromaticContact CD1-CD2 3.52Å; Y35-F169 HydrophobicContact CD1-CD2 3.52Å; Y35-F169 HydrophobicContact CD1-CE1 4.09Å; Y35-F169 AromaticContact CD1-CE2 3.68Å; Y35-F169 HydrophobicContact CD1-CE2 3.68Å; Y35-F169 AromaticContact CD1-CG 3.65Å; Y35-F169 HydrophobicContact CD1-CG 3.65Å; Y35-F169 AromaticContact CD1-CZ 3.96Å; Y35-F169 HydrophobicContact CD1-CZ 3.96Å; Y35-F169 HydrophobicContact CD2-CB 4.08Å; Y35-F169 AromaticContact CD2-CD2 3.51Å; Y35-F169 HydrophobicContact CD2-CD2 3.51Å; Y35-F169 HydrophobicContact CD2-CE2 4.2Å; Y35-F169 AromaticContact CD2-CG 3.97Å; Y35-F169 HydrophobicContact CD2-CG 3.97Å; Y35-F169 HydrophobicContact CE1-CB 3.86Å; Y35-F169 AromaticContact CE1-CD1 3.83Å; Y35-F169 HydrophobicContact CE1-CD1 3.83Å; Y35-F169 AromaticContact CE1-CD2 3.97Å; Y35-F169 HydrophobicContact CE1-CD2 3.97Å; Y35-F169 HydrophobicContact CE1-CE1 4.37Å; Y35-F169 HydrophobicContact CE1-CE2 4.48Å; Y35-F169 AromaticContact CE1-CG 3.61Å; Y35-F169 HydrophobicContact CE1-CG 3.61Å; Y35-F169 HydrophobicContact CE2-CB 3.62Å; Y35-F169 AromaticContact CE2-CD2 3.98Å; Y35-F169 HydrophobicContact CE2-CD2 3.98Å; Y35-F169 AromaticContact CE2-CG 3.96Å; Y35-F169 HydrophobicContact CE2-CG 3.96Å; Y35-F169 HydrophobicContact CG-CB 4.4Å; Y35-F169 AromaticContact CG-CD2 3.26Å; Y35-F169 HydrophobicContact CG-CD2 3.26Å; Y35-F169 AromaticContact CG-CE2 3.51Å; Y35-F169 HydrophobicContact CG-CE2 3.51Å; Y35-F169 AromaticContact CG-CG 3.82Å; Y35-F169 HydrophobicContact CG-CG 3.82Å; Y35-F169 HydrophobicContact CG-CZ 4.24Å; Y35-F169 VanDerWaalsContact CZ-CB 3.48Å; Y35-F169 AromaticContact CZ-CG 3.76Å
36	I	94.3	Very high	88.4	Confident	44 Å²	44	56.8 Å²	56.8	23%	0.226	31%	0.306	C	S	.	.	H	α-helix	trans	-87.9	-45.5	-174.2	-61	-65.6	0	0	0	111.6	L32 K53 K55 I68	L32-I36 HydrophobicContact CD1-CD1 4.19Å; L32-I36 HydrophobicContact CD1-CG1 3.52Å; L32-I36 HydrophobicContact CG-CG1 4.17Å; L32-I36 WeakPolarHBondContact O-CB 3.35Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3Å; I36-K53 HydrophobicContact CD1-CB 4.28Å; I36-K53 HydrophobicContact CG1-CB 4.12Å; I36-K53 HydrophobicContact CG1-CG 4.44Å; I36-K55 HydrophobicContact CD1-CB 3.56Å; I36-K55 HydrophobicContact CD1-CD 3.83Å; I36-K55 HydrophobicContact CD1-CG 4.28Å; I36-I68 HydrophobicContact CD1-CD1 4.09Å
37	D	92.2	Very high	87	Confident	87 Å²	87	58.6 Å²	58.6	47%	0.465	32%	0.317	S	S	.	.	H	α-helix	trans	-112.5	3	-167	-58.8	-76.9	0	0	0	112.5	F33 G39	F33-D37 HydrophobicContact CD2-CB 3.58Å; F33-D37 WeakPolarHBondContact CD2-OD2 3.41Å; F33-D37 HydrophobicContact CE2-CB 3.45Å; F33-D37 VanDerWaalsContact CE2-CB 3.45Å; F33-D37 HydrophobicContact CZ-CB 4.5Å; F33-D37 WeakPolarHBondContact O-CA 3.25Å; F33-D37 WeakPolarHBondContact O-CB 3.18Å; F33-D37 PolarHBondContact O-N 3.08Å; D37-G39 PolarHBondContact O-N 3.08Å; D37-G39 VanDerWaalsContact O-N 3.16Å
38	D	93.3	Very high	85.5	Confident	115 Å²	115	65.3 Å²	65.3	62%	0.615	35%	0.349	S	S	*	.	S	Bend	trans	50	37.3	-175.2	-166.7	20.9	0	0	0	113	F33 R34	F33-D38 PolarHBondContact O-N 3.27Å; R34-D38 IonicContact CZ-OD1 3.59Å; R34-D38 PolarHBondContact NH1-O 3.22Å; R34-D38 IonicContact NH1-OD1 3.5Å; R34-D38 PolarHBondContact NH1-OD1 3.08Å; R34-D38 WeakPolarHBondContact O-CA 3.33Å; R34-D38 PolarHBondContact O-N 3.5Å; R34-D38 VanDerWaalsContact O-N 3.1Å
39	G	90.4	Very high	84.3	Confident	14 Å²	14	65.8 Å²	65.8	14%	0.144	36%	0.356	C	S	.	.			trans	-119	159.1	-173.5	0	0	0	0	0	113.3	F33 R34 D37	F33-G39 VanDerWaalsContact CD1-C 3.5Å; F33-G39 WeakPolarHBondContact CD1-O 3.39Å; F33-G39 VanDerWaalsContact CE1-C 3.44Å; R34-G39 WeakPolarHBondContact CA-O 3.49Å; R34-G39 PolarHBondContact N-O 3.42Å; D37-G39 PolarHBondContact O-N 3.08Å; D37-G39 VanDerWaalsContact O-N 3.16Å
40	F	90.3	Very high	83.4	Confident	63 Å²	63	65.7 Å²	65.7	28%	0.276	35%	0.354	S	S	.	.			trans	-144.2	145.7	166.5	-178.2	-94.9	0	0	0	109.7	R34 D42 A159 K160	R34-F40 VanDerWaalsContact NH2-CB 3.34Å; F40-D42 WeakPolarHBondContact CE1-OD1 3.41Å; F40-A159 HydrophobicContact CD2-CB 4.3Å; F40-A159 HydrophobicContact CE2-CB 4.32Å; F40-K160 HydrophobicContact CD1-CG 4.19Å; F40-K160 HydrophobicContact CD2-CB 4.24Å; F40-K160 HydrophobicContact CE1-CB 4.06Å; F40-K160 HydrophobicContact CE1-CD 4.35Å; F40-K160 HydrophobicContact CE1-CG 3.7Å; F40-K160 HydrophobicContact CE2-CB 3.75Å; F40-K160 HydrophobicContact CE2-CG 4.33Å; F40-K160 HydrophobicContact CZ-CB 3.66Å; F40-K160 HydrophobicContact CZ-CD 4.31Å; F40-K160 HydrophobicContact CZ-CG 3.78Å
41	S	85.6	Confident	82.8	Confident	53 Å²	53	67.2 Å²	67.2	37%	0.371	36%	0.359	S	S	.	.			trans	-136.6	125.2	178.8	175.2	0	0	0	0	109.6	T43	S41-T43 PolarHBondContact O-N 3.14Å; S41-T43 PolarHBondContact OG-N 3.19Å; S41-T43 PolarHBondContact OG-OG1 3.28Å
42	D	81.3	Confident	82.3	Confident	132 Å²	132	71.1 Å²	71.1	71%	0.706	38%	0.376	S	S	*	.	S	Bend	trans	-72.8	-15.7	170.5	-69.1	-64.5	0	0	0	112.3	F40 Y44	F40-D42 WeakPolarHBondContact CE1-OD1 3.41Å; D42-Y44 PolarHBondContact O-N 2.91Å; D42-Y44 VanDerWaalsContact O-N 3.13Å
43	T	75.6	Confident	82.1	Confident	107 Å²	107	74.3 Å²	74.3	66%	0.656	39%	0.39	S	S	*	.	S	Bend	trans	-74.2	107.7	176	56.5	0	0	0	0	109.8	S41 M45	S41-T43 PolarHBondContact O-N 3.14Å; S41-T43 PolarHBondContact OG-N 3.19Å; S41-T43 PolarHBondContact OG-OG1 3.28Å; T43-M45 PolarHBondContact O-N 2.91Å
44	Y	64.7	Low	82.1	Confident	119 Å²	119	73.5 Å²	73.5	47%	0.467	39%	0.392	S	S	.	.			trans	-74.5	111.8	179	-176.4	-99.2	0	0	0	110.7	M24 N25 D42 S46	M24-Y44 WeakPolarHBondContact CG-OH 3.19Å; N25-Y44 HydrophobicContact CB-CE2 3.84Å; N25-Y44 VanDerWaalsContact OD1-CD2 3.3Å; N25-Y44 WeakPolarHBondContact OD1-CD2 3.16Å; N25-Y44 WeakPolarHBondContact OD1-CE2 3.49Å; D42-Y44 PolarHBondContact O-N 2.91Å; D42-Y44 VanDerWaalsContact O-N 3.13Å; Y44-S46 WeakPolarHBondContact CE1-OG 3.29Å
45	M	68.7	Low	82.1	Confident	161 Å²	161	74.7 Å²	74.7	79%	0.793	40%	0.398	S	S	*	.			trans	-110.3	122.2	165.6	-63.4	-169.6	80.4	0	0	109	T43 T47	T43-M45 PolarHBondContact O-N 2.91Å; M45-T47 PolarHBondContact O-N 3.08Å
46	S	71.5	Confident	82	Confident	60 Å²	60	76.7 Å²	76.7	42%	0.42	41%	0.412	S	S	.	.			trans	-62.7	124	172.6	-67.5	0	0	0	0	109.9	Y44 I48	Y44-S46 WeakPolarHBondContact CE1-OG 3.29Å; S46-I48 PolarHBondContact O-N 2.86Å
47	T	65.7	Low	82.1	Confident	37 Å²	37	75.9 Å²	75.9	23%	0.227	41%	0.409	C	S	.	.			trans	-60.5	125	170.9	-44.3	0	0	0	0	109.5	S29 M45 A72	S29-T47 PolarHBondContact OG-OG1 3.27Å; M45-T47 PolarHBondContact O-N 3.08Å; T47-A72 WeakPolarHBondContact O-CB 3.42Å
48	I	63.5	Low	82.3	Confident	152 Å²	152	77 Å²	77	78%	0.779	41%	0.412	S	S	*	.			trans	-96	115.2	175	-58.8	175.2	0	0	0	107.3	S46 F77	S46-I48 PolarHBondContact O-N 2.86Å; I48-F77 HydrophobicContact CG2-CZ 4.44Å
49	G	68	Low	82.4	Confident	19 Å²	19	72.2 Å²	72.2	20%	0.196	39%	0.387	C	S	.	.	S	Bend	trans	76.1	-127	178.6	0	0	0	0	0	113.6	A72	G49-A72 WeakPolarHBondContact O-CA 3.2Å; G49-A72 WeakPolarHBondContact O-CB 3.3Å; G49-A72 PolarHBondContact O-N 3.2Å
50	V	74.9	Confident	82.4	Confident	38 Å²	38	74.4 Å²	74.4	23%	0.23	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.4	-178.6	-177.5	0	0	0	0	109.1	W69 D70 T71 Y84	V50-W69 HydrophobicContact CG1-CB 4.27Å; V50-W69 HydrophobicContact CG1-CE3 3.73Å; V50-D70 CarbonylContact C-O 3.45Å; V50-D70 VanDerWaalsContact CA-O 3.22Å; V50-D70 WeakPolarHBondContact CA-O 3.17Å; V50-D70 WeakPolarHBondContact CG1-O 3.33Å; V50-T71 HydrophobicContact CG1-CG2 4.47Å; V50-T71 HydrophobicContact CG2-CG2 4.29Å; V50-Y84 HydrophobicContact CB-CE1 4.33Å; V50-Y84 HydrophobicContact CB-CE2 4.27Å; V50-Y84 HydrophobicContact CG1-CD1 4.39Å; V50-Y84 HydrophobicContact CG1-CE1 4.11Å; V50-Y84 HydrophobicContact CG2-CD2 4.03Å; V50-Y84 HydrophobicContact CG2-CE1 4.32Å; V50-Y84 HydrophobicContact CG2-CE2 3.43Å; V50-Y84 VanDerWaalsContact CG2-CE2 3.43Å
51	D	81.5	Confident	82.4	Confident	71 Å²	71	79 Å²	79	38%	0.38	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148.1	171.4	-168.4	21.3	0	0	0	110.2	K53 W69 D70	D51-K53 WeakPolarHBondContact OD2-CE 3.18Å; D51-W69 WeakPolarHBondContact O-CA 3.41Å; D51-D70 HydrophobicContact CB-CB 4.39Å; D51-D70 PolarHBondContact N-O 2.87Å; D51-D70 PolarHBondContact O-N 2.83Å
52	F	85.4	Confident	82.8	Confident	83 Å²	83	78.5 Å²	78.5	36%	0.364	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.2	-175.4	171.5	-101.3	0	0	0	110.3	V54 Q67 W69	F52-V54 HydrophobicContact CD1-CG2 4.42Å; F52-V54 HydrophobicContact CE1-CG2 3.45Å; F52-V54 VanDerWaalsContact CE1-CG2 3.45Å; F52-V54 HydrophobicContact CE2-CG2 4.2Å; F52-V54 HydrophobicContact CZ-CG2 3.31Å; F52-Q67 HydrophobicContact CE2-CB 3.82Å; F52-Q67 HydrophobicContact CE2-CG 3.94Å; F52-Q67 HydrophobicContact CZ-CB 4.35Å; F52-Q67 HydrophobicContact CZ-CG 3.97Å; F52-W69 HydrophobicContact CB-CE3 4.35Å; F52-W69 HydrophobicContact CB-CZ3 4.39Å; F52-W69 AromaticContact CD2-CD2 3.77Å; F52-W69 HydrophobicContact CD2-CD2 3.77Å; F52-W69 AromaticContact CD2-CE2 3.48Å; F52-W69 VanDerWaalsContact CD2-CE2 3.48Å; F52-W69 HydrophobicContact CD2-CE3 4.12Å; F52-W69 HydrophobicContact CD2-CG 4.29Å; F52-W69 HydrophobicContact CD2-CH2 4.06Å; F52-W69 AromaticContact CD2-CZ2 3.68Å; F52-W69 HydrophobicContact CD2-CZ2 3.68Å; F52-W69 HydrophobicContact CD2-CZ3 4.24Å; F52-W69 AromaticContact CD2-NE1 3.78Å; F52-W69 HydrophobicContact CE2-CD2 4.46Å; F52-W69 AromaticContact CE2-CE2 3.74Å; F52-W69 HydrophobicContact CE2-CH2 4.49Å; F52-W69 AromaticContact CE2-CZ2 3.79Å; F52-W69 HydrophobicContact CE2-CZ2 3.79Å; F52-W69 AromaticContact CE2-NE1 3.75Å
53	K	91.3	Very high	83.5	Confident	70 Å²	70	78.2 Å²	78.2	30%	0.304	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.7	176.4	-62.5	-69	-177	162.3	0	110.7	L32 I36 D51 I68	L32-K53 HydrophobicContact CD1-CB 4.22Å; L32-K53 HydrophobicContact CD1-CG 4.4Å; L32-K53 HydrophobicContact CD2-CB 4.26Å; L32-K53 HydrophobicContact CD2-CG 3.79Å; L32-K53 HydrophobicContact CG-CG 4.19Å; I36-K53 HydrophobicContact CD1-CB 4.28Å; I36-K53 HydrophobicContact CG1-CB 4.12Å; I36-K53 HydrophobicContact CG1-CG 4.44Å; D51-K53 WeakPolarHBondContact OD2-CE 3.18Å; K53-I68 PolarHBondContact N-O 3.44Å; K53-I68 PolarHBondContact O-N 2.83Å
54	V	93.2	Very high	84.6	Confident	66 Å²	66	73.1 Å²	73.1	40%	0.4	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128	175.8	-177.9	0	0	0	0	109.4	F52 K65 L66 Q67	F52-V54 HydrophobicContact CD1-CG2 4.42Å; F52-V54 HydrophobicContact CE1-CG2 3.45Å; F52-V54 VanDerWaalsContact CE1-CG2 3.45Å; F52-V54 HydrophobicContact CE2-CG2 4.2Å; F52-V54 HydrophobicContact CZ-CG2 3.31Å; V54-K65 HydrophobicContact CG1-CD 4.04Å; V54-K65 HydrophobicContact CG1-CG 3.54Å; V54-L66 CarbonylContact C-O 3.57Å; V54-L66 VanDerWaalsContact CA-O 3.25Å; V54-L66 WeakPolarHBondContact CA-O 3.48Å; V54-Q67 HydrophobicContact CG2-CG 4.26Å
55	K	95.2	Very high	86.1	Confident	61 Å²	61	70.5 Å²	70.5	27%	0.265	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.4	171.2	-174.8	167.7	173.9	-178.8	0	109.3	Y35 I36 V57 L66	Y35-K55 HydrophobicContact CD1-CD 4.08Å; Y35-K55 HydrophobicContact CE1-CD 3.63Å; Y35-K55 HydrophobicContact CE2-CD 4.41Å; Y35-K55 PolarHBondContact O-NZ 2.93Å; I36-K55 HydrophobicContact CD1-CB 3.56Å; I36-K55 HydrophobicContact CD1-CD 3.83Å; I36-K55 HydrophobicContact CD1-CG 4.28Å; K55-V57 HydrophobicContact CD-CG1 4.41Å; K55-V57 HydrophobicContact CG-CG1 4.01Å; K55-L66 PolarHBondContact N-O 2.99Å; K55-L66 WeakPolarHBondContact O-CA 3.41Å; K55-L66 WeakPolarHBondContact O-CB 3.49Å; K55-L66 PolarHBondContact O-N 2.83Å
56	T	95.8	Very high	87.4	Confident	59 Å²	59	62.9 Å²	62.9	36%	0.362	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.9	174.9	-56.8	0	0	0	0	108.7	R63 V64	T56-R63 HydrophobicContact CG2-CG 3.65Å; T56-V64 CarbonylContact C-O 3.57Å; T56-V64 VanDerWaalsContact CA-O 3.32Å; T56-V64 WeakPolarHBondContact CA-O 3.44Å
57	V	96.2	Very high	88.6	Confident	27 Å²	27	62.6 Å²	62.6	16%	0.164	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.8	-177.7	-60.7	0	0	0	0	111	Y35 K55 I59 V64 T173	Y35-V57 WeakPolarHBondContact OH-CG1 3.33Å; K55-V57 HydrophobicContact CD-CG1 4.41Å; K55-V57 HydrophobicContact CG-CG1 4.01Å; V57-I59 HydrophobicContact CG2-CD1 4.33Å; V57-I59 HydrophobicContact CG2-CG1 4.4Å; V57-V64 HydrophobicContact CG2-CB 4.11Å; V57-V64 PolarHBondContact N-O 3.47Å; V57-V64 PolarHBondContact O-N 3.07Å; V57-T173 HydrophobicContact CG2-CG2 4.26Å
58	M	95.5	Very high	90	Very high	109 Å²	109	60.8 Å²	60.8	54%	0.537	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.7	172.9	-66.9	-59.7	-64	0	0	109.6	R63	M58-R63 HydrophobicContact SD-CB 3.75Å; M58-R63 HydrophobicContact SD-CG 3.97Å
59	I	95.3	Very high	91.3	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	98.5	170.3	-55.2	-62.9	0	0	0	107.6	V57 N61 T62 V64 Y170 T173 R174 L177	V57-I59 HydrophobicContact CG2-CD1 4.33Å; V57-I59 HydrophobicContact CG2-CG1 4.4Å; I59-N61 PolarHBondContact O-N 3.45Å; I59-T62 PolarHBondContact N-O 3.04Å; I59-T62 WeakPolarHBondContact O-CB 3.44Å; I59-T62 PolarHBondContact O-N 3.24Å; I59-T62 VanDerWaalsContact O-N 3.08Å; I59-V64 HydrophobicContact CB-CG2 4.42Å; I59-V64 HydrophobicContact CG1-CG2 4Å; I59-Y170 HydrophobicContact CD1-CD2 3.56Å; I59-Y170 HydrophobicContact CD1-CE2 3.68Å; I59-T173 HydrophobicContact CD1-CG2 3.96Å; I59-T173 HydrophobicContact CG1-CG2 3.89Å; I59-R174 HydrophobicContact CG2-CB 4.15Å; I59-R174 HydrophobicContact CG2-CG 4.04Å; I59-L177 HydrophobicContact CB-CD2 3.91Å; I59-L177 HydrophobicContact CG2-CD2 3.87Å
60	G	91	Very high	92.3	Very high	60 Å²	60	55.7 Å²	55.7	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-122.5	-166.2	0	0	0	0	0	110
61	N	91.4	Very high	92.6	Very high	158 Å²	158	53.9 Å²	53.9	85%	0.845	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	4.1	177.7	-64.1	-7.6	0	0	0	113.4	I59	I59-N61 PolarHBondContact O-N 3.45Å
62	T	94.2	Very high	92.2	Very high	44 Å²	44	50.7 Å²	50.7	27%	0.27	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.7	-175.4	-56.8	0	0	0	0	110.4	I14 I59 V64 L177	I14-T62 HydrophobicContact CB-CG2 4.45Å; I14-T62 HydrophobicContact CD1-CG2 3.63Å; I14-T62 HydrophobicContact CG1-CG2 4.08Å; I59-T62 PolarHBondContact N-O 3.04Å; I59-T62 WeakPolarHBondContact O-CB 3.44Å; I59-T62 PolarHBondContact O-N 3.24Å; I59-T62 VanDerWaalsContact O-N 3.08Å; T62-V64 HydrophobicContact CG2-CG2 4.09Å; T62-L177 HydrophobicContact CG2-CD1 4.29Å; T62-L177 HydrophobicContact CG2-CD2 3.99Å
63	R	95.8	Very high	90.9	Very high	126 Å²	126	47.4 Å²	47.4	48%	0.475	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.1	171.6	-168.4	167.4	179.8	-151.8	7.6	110	D13 I14 T56 M58	D13-R63 WeakPolarHBondContact OD1-CD 3.44Å; D13-R63 WeakPolarHBondContact OD1-CG 3.49Å; D13-R63 IonicContact OD1-CZ 3.61Å; D13-R63 IonicContact OD1-NE 3.42Å; D13-R63 PolarHBondContact OD1-NE 3.37Å; D13-R63 IonicContact OD1-NH1 3.36Å; D13-R63 PolarHBondContact OD1-NH1 3.19Å; I14-R63 PolarHBondContact N-O 3.45Å; T56-R63 HydrophobicContact CG2-CG 3.65Å; M58-R63 HydrophobicContact SD-CB 3.75Å; M58-R63 HydrophobicContact SD-CG 3.97Å
64	V	97.4	Very high	89.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.3	-176.9	177	0	0	0	0	109.4	I14 L16 T56 V57 I59 T62 L66 T173 L177	I14-V64 CarbonylContact O-C 3.59Å; I14-V64 VanDerWaalsContact O-CA 3.26Å; I14-V64 WeakPolarHBondContact O-CA 3.47Å; L16-V64 HydrophobicContact CB-CG1 4.09Å; L16-V64 HydrophobicContact CD1-CG1 3.76Å; L16-V64 HydrophobicContact CG-CG1 3.88Å; T56-V64 CarbonylContact C-O 3.57Å; T56-V64 VanDerWaalsContact CA-O 3.32Å; T56-V64 WeakPolarHBondContact CA-O 3.44Å; V57-V64 HydrophobicContact CG2-CB 4.11Å; V57-V64 PolarHBondContact N-O 3.47Å; V57-V64 PolarHBondContact O-N 3.07Å; I59-V64 HydrophobicContact CB-CG2 4.42Å; I59-V64 HydrophobicContact CG1-CG2 4Å; T62-V64 HydrophobicContact CG2-CG2 4.09Å; V64-L66 PolarHBondContact O-N 2.97Å; V64-T173 HydrophobicContact CG1-CG2 3.96Å; V64-L177 HydrophobicContact CG2-CD2 4.12Å
65	K	96.8	Very high	87.5	Confident	64 Å²	64	49.1 Å²	49.1	28%	0.278	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	99.3	168.4	-176.2	170.1	-79.2	160.4	0	108.8	D13 I14 H15 L16 V54	D13-K65 HydrophobicContact CB-CB 4.19Å; D13-K65 IonicContact OD2-NZ 3.5Å; D13-K65 PolarHBondContact OD2-NZ 2.72Å; I14-K65 PolarHBondContact O-N 2.8Å; H15-K65 WeakPolarHBondContact CA-O 3.44Å; L16-K65 PolarHBondContact N-O 3.11Å; L16-K65 VanDerWaalsContact N-O 3.11Å; V54-K65 HydrophobicContact CG1-CD 4.04Å; V54-K65 HydrophobicContact CG1-CG 3.54Å
66	L	96.9	Very high	85.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121	-177.6	-160.1	61.8	0	0	0	110.2	L16 L18 Y35 V54 K55 V64 I68 F169 T173	L16-L66 HydrophobicContact CB-CD1 3.96Å; L18-L66 HydrophobicContact CD1-CD1 3.62Å; L18-L66 HydrophobicContact CD1-CD2 3.73Å; L18-L66 HydrophobicContact CD1-CG 3.9Å; L18-L66 HydrophobicContact CD2-CD1 4.31Å; L18-L66 HydrophobicContact CG-CD1 3.57Å; L18-L66 HydrophobicContact CG-CG 4.14Å; Y35-L66 HydrophobicContact CE1-CD2 4.24Å; V54-L66 CarbonylContact C-O 3.57Å; V54-L66 VanDerWaalsContact CA-O 3.25Å; V54-L66 WeakPolarHBondContact CA-O 3.48Å; K55-L66 PolarHBondContact N-O 2.99Å; K55-L66 WeakPolarHBondContact O-CA 3.41Å; K55-L66 WeakPolarHBondContact O-CB 3.49Å; K55-L66 PolarHBondContact O-N 2.83Å; V64-L66 PolarHBondContact O-N 2.97Å; L66-I68 HydrophobicContact CD2-CD1 3.88Å; L66-I68 HydrophobicContact CD2-CG1 4.01Å; L66-I68 HydrophobicContact CG-CD1 4.24Å; L66-I68 HydrophobicContact CG-CG1 3.83Å; L66-F169 HydrophobicContact CD2-CD1 4.42Å; L66-T173 HydrophobicContact CD1-CG2 3.99Å
67	Q	95.1	Very high	83.5	Confident	54 Å²	54	55.6 Å²	55.6	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.8	175.9	-74.8	-178.4	-28.5	0	0	108.7	L16 K17 L18 F52 V54	L16-Q67 PolarHBondContact O-N 3.32Å; K17-Q67 CarbonylContact C-O 3.49Å; K17-Q67 WeakPolarHBondContact CA-O 3.45Å; L18-Q67 PolarHBondContact N-O 3.02Å; F52-Q67 HydrophobicContact CE2-CB 3.82Å; F52-Q67 HydrophobicContact CE2-CG 3.94Å; F52-Q67 HydrophobicContact CZ-CB 4.35Å; F52-Q67 HydrophobicContact CZ-CG 3.97Å; V54-Q67 HydrophobicContact CG2-CG 4.26Å
68	I	94.7	Very high	81.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.2	-172.8	-47.9	172.6	0	0	0	108.9	L18 L20 L32 Y35 I36 K53 L66 F169	L18-I68 HydrophobicContact CB-CG2 4.49Å; L20-I68 HydrophobicContact CD1-CG2 3.14Å; L32-I68 HydrophobicContact CD1-CB 3.95Å; L32-I68 HydrophobicContact CD1-CD1 3.79Å; L32-I68 HydrophobicContact CD1-CG1 4.5Å; L32-I68 HydrophobicContact CD1-CG2 3.71Å; Y35-I68 HydrophobicContact CD1-CD1 3.87Å; Y35-I68 HydrophobicContact CE1-CD1 3.88Å; I36-I68 HydrophobicContact CD1-CD1 4.09Å; K53-I68 PolarHBondContact N-O 3.44Å; K53-I68 PolarHBondContact O-N 2.83Å; L66-I68 HydrophobicContact CD2-CD1 3.88Å; L66-I68 HydrophobicContact CD2-CG1 4.01Å; L66-I68 HydrophobicContact CG-CD1 4.24Å; L66-I68 HydrophobicContact CG-CG1 3.83Å; I68-F169 HydrophobicContact CD1-CD1 4.18Å; I68-F169 HydrophobicContact CD1-CE1 3.73Å; I68-F169 HydrophobicContact CD1-CZ 4.35Å; I68-F169 HydrophobicContact CG1-CE1 4.48Å; I68-F169 HydrophobicContact CG2-CE1 4.2Å
69	W	92.3	Very high	79.5	Confident	61 Å²	61	59 Å²	59	23%	0.231	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.1	179.9	-63	77.8	0	0	0	108.7	L18 L19 L20 V50 D51 F52 Y84	L18-W69 PolarHBondContact O-N 2.98Å; L19-W69 HydrophobicContact CD1-CB 3.68Å; L20-W69 PolarHBondContact N-O 2.79Å; V50-W69 HydrophobicContact CG1-CB 4.27Å; V50-W69 HydrophobicContact CG1-CE3 3.73Å; D51-W69 WeakPolarHBondContact O-CA 3.41Å; F52-W69 HydrophobicContact CB-CE3 4.35Å; F52-W69 HydrophobicContact CB-CZ3 4.39Å; F52-W69 AromaticContact CD2-CD2 3.77Å; F52-W69 HydrophobicContact CD2-CD2 3.77Å; F52-W69 AromaticContact CD2-CE2 3.48Å; F52-W69 VanDerWaalsContact CD2-CE2 3.48Å; F52-W69 HydrophobicContact CD2-CE3 4.12Å; F52-W69 HydrophobicContact CD2-CG 4.29Å; F52-W69 HydrophobicContact CD2-CH2 4.06Å; F52-W69 AromaticContact CD2-CZ2 3.68Å; F52-W69 HydrophobicContact CD2-CZ2 3.68Å; F52-W69 HydrophobicContact CD2-CZ3 4.24Å; F52-W69 AromaticContact CD2-NE1 3.78Å; F52-W69 HydrophobicContact CE2-CD2 4.46Å; F52-W69 AromaticContact CE2-CE2 3.74Å; F52-W69 HydrophobicContact CE2-CH2 4.49Å; F52-W69 AromaticContact CE2-CZ2 3.79Å; F52-W69 HydrophobicContact CE2-CZ2 3.79Å; F52-W69 AromaticContact CE2-NE1 3.75Å; W69-Y84 HydrophobicContact CD2-CD1 4.13Å; W69-Y84 AromaticContact CE3-CD1 3.55Å; W69-Y84 HydrophobicContact CE3-CD1 3.55Å; W69-Y84 AromaticContact CE3-CE1 3.53Å; W69-Y84 HydrophobicContact CE3-CE1 3.53Å; W69-Y84 HydrophobicContact CH2-CE1 4.31Å; W69-Y84 AromaticContact CZ3-CD1 3.81Å; W69-Y84 HydrophobicContact CZ3-CD1 3.81Å; W69-Y84 AromaticContact CZ3-CE1 3.42Å; W69-Y84 HydrophobicContact CZ3-CE1 3.42Å; W69-Y84 VanDerWaalsContact CZ3-CE1 3.42Å
70	D	88.7	Confident	77.7	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.011	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.1	174.7	178.6	38.5	0	0	0	110.1	K28 S29 L32 V50 D51	K28-D70 VanDerWaalsContact CB-OD1 3.25Å; K28-D70 WeakPolarHBondContact CB-OD1 3.27Å; S29-D70 WeakPolarHBondContact CA-OD2 3.45Å; S29-D70 VanDerWaalsContact CB-OD2 3.24Å; S29-D70 WeakPolarHBondContact CB-OD2 3.34Å; S29-D70 PolarHBondContact OG-OD2 2.8Å; L32-D70 HydrophobicContact CD2-CB 3.66Å; V50-D70 CarbonylContact C-O 3.45Å; V50-D70 VanDerWaalsContact CA-O 3.22Å; V50-D70 WeakPolarHBondContact CA-O 3.17Å; V50-D70 WeakPolarHBondContact CG1-O 3.33Å; D51-D70 HydrophobicContact CB-CB 4.39Å; D51-D70 PolarHBondContact N-O 2.87Å; D51-D70 PolarHBondContact O-N 2.83Å
71	T	80.5	Confident	76.5	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.7	-176	64.3	0	0	0	0	111.4	L19 L20 K28 V50 G73 T81	L19-T71 HydrophobicContact CD1-CG2 3.51Å; L19-T71 HydrophobicContact CG-CG2 4.33Å; L20-T71 WeakPolarHBondContact O-CG2 3.34Å; L20-T71 PolarHBondContact O-OG1 2.63Å; K28-T71 WeakPolarHBondContact CE-O 3.43Å; V50-T71 HydrophobicContact CG1-CG2 4.47Å; V50-T71 HydrophobicContact CG2-CG2 4.29Å; T71-G73 PolarHBondContact O-N 3.42Å; T71-T81 HydrophobicContact CG2-CG2 4.14Å
72	A	73.3	Confident	75.6	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.033	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-60.4	129.2	166.3	0	0	0	0	0	109.8	T47 G49 Q74 F77	T47-A72 WeakPolarHBondContact O-CB 3.42Å; G49-A72 WeakPolarHBondContact O-CA 3.2Å; G49-A72 WeakPolarHBondContact O-CB 3.3Å; G49-A72 PolarHBondContact O-N 3.2Å; A72-Q74 PolarHBondContact O-N 3.12Å; A72-F77 HydrophobicContact CB-CB 4.45Å; A72-F77 HydrophobicContact CB-CD2 3.75Å; A72-F77 HydrophobicContact CB-CE2 4.43Å; A72-F77 HydrophobicContact CB-CG 4.39Å
73	G	59	Low	75	Confident	13 Å²	13	56.6 Å²	56.6	13%	0.134	27%	0.268	C	S	.	.			trans	-75.1	0	177.2	0	0	0	0	0	114.9	T71	T71-G73 PolarHBondContact O-N 3.42Å
74	Q	59.9	Low	74.5	Confident	60 Å²	60	53.2 Å²	53.2	28%	0.28	26%	0.256	S	S	.	.			trans	-77.8	140.5	-176.6	-72.7	-75.3	51.7	0	0	112	M24 A72 R76 F77	M24-Q74 HydrophobicContact SD-CG 3.75Å; M24-Q74 PolarHBondContact SD-OE1 3.26Å; A72-Q74 PolarHBondContact O-N 3.12Å; Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 2.79Å; Q74-F77 HydrophobicContact CB-CD2 3.98Å; Q74-F77 HydrophobicContact CB-CE2 4.46Å; Q74-F77 PolarHBondContact O-N 3.17Å; Q74-F77 VanDerWaalsContact O-N 3.08Å
75	E	51.8	Low	74.2	Confident	112 Å²	112	53.2 Å²	53.2	52%	0.523	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-65	-33.7	-171.2	90.3	-67.5	166.2	0	0	112.7	F77 R78	E75-F77 PolarHBondContact O-N 2.86Å; E75-F77 VanDerWaalsContact O-N 3.07Å; E75-R78 WeakPolarHBondContact O-CB 3.31Å; E75-R78 PolarHBondContact O-N 2.81Å
76	R	53.9	Low	73.8	Confident	194 Å²	194	58.7 Å²	58.7	73%	0.732	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-60.8	-16.9	176.8	-68.4	-172.3	-74.8	161.9	-1.5	113.8	Q74	Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 2.79Å
77	F	53.2	Low	73.6	Confident	63 Å²	63	60.1 Å²	60.1	28%	0.276	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-101.5	-5.2	177.3	-62	-59.8	0	0	0	114	I48 A72 Q74 E75 T79 I80 T81	I48-F77 HydrophobicContact CG2-CZ 4.44Å; A72-F77 HydrophobicContact CB-CB 4.45Å; A72-F77 HydrophobicContact CB-CD2 3.75Å; A72-F77 HydrophobicContact CB-CE2 4.43Å; A72-F77 HydrophobicContact CB-CG 4.39Å; Q74-F77 HydrophobicContact CB-CD2 3.98Å; Q74-F77 HydrophobicContact CB-CE2 4.46Å; Q74-F77 PolarHBondContact O-N 3.17Å; Q74-F77 VanDerWaalsContact O-N 3.08Å; E75-F77 PolarHBondContact O-N 2.86Å; E75-F77 VanDerWaalsContact O-N 3.07Å; F77-T79 PolarHBondContact O-N 3.27Å; F77-I80 HydrophobicContact CD1-CD1 3.79Å; F77-I80 WeakPolarHBondContact O-CA 3.23Å; F77-I80 WeakPolarHBondContact O-CB 3.1Å; F77-I80 PolarHBondContact O-N 3.06Å; F77-T81 PolarHBondContact O-N 3.5Å; F77-T81 PolarHBondContact O-OG1 3.44Å
78	R	54.2	Low	73.6	Confident	91 Å²	91	57.8 Å²	57.8	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-34.2	179.9	-73.7	179.4	-178.1	-156.2	-2.3	113.5	E75 I80 T81	E75-R78 WeakPolarHBondContact O-CB 3.31Å; E75-R78 PolarHBondContact O-N 2.81Å; R78-I80 VanDerWaalsContact C-N 3.25Å; R78-I80 PolarHBondContact O-N 3.37Å; R78-T81 WeakPolarHBondContact O-CB 3.06Å; R78-T81 PolarHBondContact O-N 3.48Å; R78-T81 VanDerWaalsContact O-N 3.12Å
79	T	53.6	Low	73.8	Confident	117 Å²	117	60 Å²	60	72%	0.718	29%	0.29	S	S	*	.	H	α-helix	trans	-60.9	-37.1	175.7	-47.3	0	0	0	0	111.6	F77 S82	F77-T79 PolarHBondContact O-N 3.27Å; T79-S82 PolarHBondContact O-OG 3.25Å
80	I	57.8	Low	74	Confident	81 Å²	81	57.1 Å²	57.1	42%	0.415	28%	0.279	S	S	.	.	H	α-helix	trans	-72.6	-33.4	177.7	-41.1	-174.6	0	0	0	110.1	F77 R78 S82 T83 Y84	F77-I80 HydrophobicContact CD1-CD1 3.79Å; F77-I80 WeakPolarHBondContact O-CA 3.23Å; F77-I80 WeakPolarHBondContact O-CB 3.1Å; F77-I80 PolarHBondContact O-N 3.06Å; R78-I80 VanDerWaalsContact C-N 3.25Å; R78-I80 PolarHBondContact O-N 3.37Å; I80-S82 VanDerWaalsContact C-N 3.28Å; I80-S82 PolarHBondContact O-N 2.74Å; I80-T83 PolarHBondContact O-N 2.77Å; I80-Y84 HydrophobicContact CB-CE2 4.44Å; I80-Y84 HydrophobicContact CG2-CE2 3.62Å; I80-Y84 WeakPolarHBondContact O-CD2 3.22Å; I80-Y84 WeakPolarHBondContact O-CE2 3.3Å
81	T	65.2	Low	74.4	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-36.7	-179.2	-46	0	0	0	0	113.1	T71 F77 R78 T83 Y84 Y85	T71-T81 HydrophobicContact CG2-CG2 4.14Å; F77-T81 PolarHBondContact O-N 3.5Å; F77-T81 PolarHBondContact O-OG1 3.44Å; R78-T81 WeakPolarHBondContact O-CB 3.06Å; R78-T81 PolarHBondContact O-N 3.48Å; R78-T81 VanDerWaalsContact O-N 3.12Å; T81-T83 PolarHBondContact O-N 2.91Å; T81-T83 VanDerWaalsContact O-N 3.11Å; T81-Y84 PolarHBondContact O-N 3.32Å; T81-Y85 HydrophobicContact CG2-CD2 4.34Å; T81-Y85 HydrophobicContact CG2-CE2 3.59Å; T81-Y85 WeakPolarHBondContact O-CD2 3.07Å
82	S	73.5	Confident	75.3	Confident	36 Å²	36	57 Å²	57	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-49.9	-40.6	-179.6	65.7	0	0	0	0	113.5	T79 I80 Y84 Y85	T79-S82 PolarHBondContact O-OG 3.25Å; I80-S82 VanDerWaalsContact C-N 3.28Å; I80-S82 PolarHBondContact O-N 2.74Å; S82-Y84 VanDerWaalsContact C-N 3.32Å; S82-Y84 PolarHBondContact O-N 2.88Å; S82-Y85 PolarHBondContact O-N 2.67Å
83	T	80.3	Confident	76.4	Confident	105 Å²	105	56.9 Å²	56.9	64%	0.644	28%	0.277	S	S	*	.	H	α-helix	trans	-72	-26.8	-178.6	-58.5	0	0	0	0	112.4	I80 T81	I80-T83 PolarHBondContact O-N 2.77Å; T81-T83 PolarHBondContact O-N 2.91Å; T81-T83 VanDerWaalsContact O-N 3.11Å
84	Y	85.9	Confident	78.2	Confident	56 Å²	56	56.3 Å²	56.3	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-78.6	-19.8	-179.1	-63.7	-79.9	0	0	0	113.5	K17 V50 W69 I80 T81 S82 R86	K17-Y84 WeakPolarHBondContact CE-O 3.3Å; K17-Y84 PolarHBondContact NZ-O 3.21Å; V50-Y84 HydrophobicContact CB-CE1 4.33Å; V50-Y84 HydrophobicContact CB-CE2 4.27Å; V50-Y84 HydrophobicContact CG1-CD1 4.39Å; V50-Y84 HydrophobicContact CG1-CE1 4.11Å; V50-Y84 HydrophobicContact CG2-CD2 4.03Å; V50-Y84 HydrophobicContact CG2-CE1 4.32Å; V50-Y84 HydrophobicContact CG2-CE2 3.43Å; V50-Y84 VanDerWaalsContact CG2-CE2 3.43Å; W69-Y84 HydrophobicContact CD2-CD1 4.13Å; W69-Y84 AromaticContact CE3-CD1 3.55Å; W69-Y84 HydrophobicContact CE3-CD1 3.55Å; W69-Y84 AromaticContact CE3-CE1 3.53Å; W69-Y84 HydrophobicContact CE3-CE1 3.53Å; W69-Y84 HydrophobicContact CH2-CE1 4.31Å; W69-Y84 AromaticContact CZ3-CD1 3.81Å; W69-Y84 HydrophobicContact CZ3-CD1 3.81Å; W69-Y84 AromaticContact CZ3-CE1 3.42Å; W69-Y84 HydrophobicContact CZ3-CE1 3.42Å; W69-Y84 VanDerWaalsContact CZ3-CE1 3.42Å; I80-Y84 HydrophobicContact CB-CE2 4.44Å; I80-Y84 HydrophobicContact CG2-CE2 3.62Å; I80-Y84 WeakPolarHBondContact O-CD2 3.22Å; I80-Y84 WeakPolarHBondContact O-CE2 3.3Å; T81-Y84 PolarHBondContact O-N 3.32Å; S82-Y84 VanDerWaalsContact C-N 3.32Å; S82-Y84 PolarHBondContact O-N 2.88Å; Y84-R86 VanDerWaalsContact C-N 3.31Å; Y84-R86 PolarHBondContact O-N 3.49Å
85	Y	90.6	Very high	80.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-33.7	174	-71.8	-81.1	0	0	0	112.7	L19 I21 T81 S82 G87 A88 I91 E112 A113 Y116 A117	L19-Y85 HydrophobicContact CD2-CD1 3.63Å; L19-Y85 HydrophobicContact CD2-CD2 4.35Å; L19-Y85 HydrophobicContact CD2-CE1 3.77Å; L19-Y85 HydrophobicContact CD2-CG 3.94Å; I21-Y85 HydrophobicContact CD1-CE1 4.06Å; I21-Y85 WeakPolarHBondContact CD1-OH 3.5Å; I21-Y85 HydrophobicContact CG2-CE1 4.21Å; T81-Y85 HydrophobicContact CG2-CD2 4.34Å; T81-Y85 HydrophobicContact CG2-CE2 3.59Å; T81-Y85 WeakPolarHBondContact O-CD2 3.07Å; S82-Y85 PolarHBondContact O-N 2.67Å; Y85-G87 PolarHBondContact O-N 3.48Å; Y85-A88 WeakPolarHBondContact O-CB 3.48Å; Y85-A88 PolarHBondContact O-N 3.22Å; Y85-I91 HydrophobicContact CD1-CD1 3.83Å; Y85-I91 HydrophobicContact CE1-CD1 4.17Å; Y85-E112 HydrophobicContact CE2-CG 3.92Å; Y85-E112 VanDerWaalsContact CE2-OE1 3.3Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.14Å; Y85-E112 WeakPolarHBondContact OH-CG 3.34Å; Y85-E112 PolarHBondContact OH-OE1 2.98Å; Y85-A113 HydrophobicContact CD1-CB 4.35Å; Y85-A113 HydrophobicContact CE1-CB 3.84Å; Y85-Y116 WeakPolarHBondContact CB-O 3.19Å; Y85-Y116 HydrophobicContact CD2-CD2 4.26Å; Y85-Y116 HydrophobicContact CD2-CG 4.37Å; Y85-Y116 HydrophobicContact CE2-CD2 4.32Å; Y85-A117 HydrophobicContact CD1-CB 4.32Å
86	R	90	Very high	82.3	Confident	179 Å²	179	48.9 Å²	48.9	68%	0.675	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	131	178.5	-173.3	172.9	176.9	76.7	-1.2	110.8	K17 Y84 A88 D118	K17-R86 PolarHBondContact NZ-O 2.89Å; Y84-R86 VanDerWaalsContact C-N 3.31Å; Y84-R86 PolarHBondContact O-N 3.49Å; R86-A88 PolarHBondContact O-N 3.31Å; R86-D118 IonicContact NH1-OD1 3.53Å
87	G	92.3	Very high	84.4	Confident	30 Å²	30	39.7 Å²	39.7	31%	0.309	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	6.7	-177.4	0	0	0	0	0	114.8	Y85 H89 D118	Y85-G87 PolarHBondContact O-N 3.48Å; G87-H89 PolarHBondContact O-CE1 2.89Å; G87-H89 PolarHBondContact O-ND1 2.91Å; G87-H89 VanDerWaalsContact O-ND1 3.12Å; G87-D118 VanDerWaalsContact CA-OD2 3.29Å; G87-D118 WeakPolarHBondContact CA-OD2 3.11Å; G87-D118 PolarHBondContact N-OD2 3.02Å
88	A	95.6	Very high	86.5	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.198	C	C	.	.			trans	-63.9	137.3	169.6	0	0	0	0	0	108.9	Y85 R86 I91 V121	Y85-A88 WeakPolarHBondContact O-CB 3.48Å; Y85-A88 PolarHBondContact O-N 3.22Å; R86-A88 PolarHBondContact O-N 3.31Å; A88-I91 HydrophobicContact CB-CG1 4.32Å; A88-V121 WeakPolarHBondContact O-CG2 3.1Å
89	H	97.4	Very high	88.6	Confident	48 Å²	48	37.3 Å²	37.3	22%	0.222	20%	0.199	C	C	.	.	S	Bend	trans	-101	-26.8	175.3	-61.7	78	0	0	0	111.1	L16 K17 G87 A122 A176	L16-H89 HydrophobicContact CB-CB 4.49Å; L16-H89 HydrophobicContact CD2-CB 3.91Å; K17-H89 PolarHBondContact N-ND1 3.16Å; K17-H89 VanDerWaalsContact N-ND1 3.2Å; K17-H89 PolarHBondContact O-N 3.22Å; G87-H89 PolarHBondContact O-CE1 2.89Å; G87-H89 PolarHBondContact O-ND1 2.91Å; G87-H89 VanDerWaalsContact O-ND1 3.12Å; H89-A122 PolarHBondContact O-N 3.45Å; H89-A176 HydrophobicContact CB-CB 4.15Å; H89-A176 WeakPolarHBondContact O-CB 3.43Å
90	G	97.9	Very high	90.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.5	171.8	0	0	0	0	0	112	K17 L18 L19 A122	K17-G90 PolarHBondContact O-N 3.47Å; L18-G90 VanDerWaalsContact CA-O 3.31Å; L18-G90 WeakPolarHBondContact CA-O 3.38Å; L19-G90 PolarHBondContact N-O 2.65Å; G90-A122 CarbonylContact C-O 3.44Å; G90-A122 VanDerWaalsContact CA-O 3.23Å; G90-A122 WeakPolarHBondContact CA-O 3.34Å
91	I	97.1	Very high	92.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.4	175.9	-61.9	170.3	0	0	0	108.5	L19 I21 Y85 A88 I93 A113 A117 V121 A122 R123 I124	L19-I91 WeakPolarHBondContact O-CA 3.08Å; I21-I91 HydrophobicContact CD1-CG2 3.71Å; I21-I91 HydrophobicContact CG1-CG2 3.95Å; Y85-I91 HydrophobicContact CD1-CD1 3.83Å; Y85-I91 HydrophobicContact CE1-CD1 4.17Å; A88-I91 HydrophobicContact CB-CG1 4.32Å; I91-I93 HydrophobicContact CG2-CG1 3.95Å; I91-A113 HydrophobicContact CD1-CB 3.73Å; I91-A113 HydrophobicContact CG2-CB 4.42Å; I91-A117 HydrophobicContact CD1-CB 3.69Å; I91-V121 HydrophobicContact CD1-CG1 3.83Å; I91-V121 HydrophobicContact CG1-CG1 3.78Å; I91-A122 PolarHBondContact N-O 3.22Å; I91-R123 HydrophobicContact CB-CG 4.34Å; I91-R123 WeakPolarHBondContact O-CA 3.44Å; I91-I124 PolarHBondContact O-N 2.91Å
92	I	98	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.4	177.7	-58.1	167.3	0	0	0	107.1	L18 L19 L20 I21 V94 I124 V126 M168 F169 I172	L18-I92 HydrophobicContact CD1-CD1 4.13Å; L19-I92 PolarHBondContact O-N 3.42Å; L20-I92 WeakPolarHBondContact CA-O 3.26Å; L20-I92 HydrophobicContact CD1-CD1 4.28Å; L20-I92 HydrophobicContact CG-CB 4.23Å; L20-I92 HydrophobicContact CG-CD1 4.19Å; L20-I92 HydrophobicContact CG-CG2 4.48Å; I21-I92 PolarHBondContact N-O 3.45Å; I92-V94 HydrophobicContact CG2-CG2 3.82Å; I92-I124 HydrophobicContact CB-CG2 4.13Å; I92-I124 HydrophobicContact CG1-CG2 3.81Å; I92-I124 HydrophobicContact CG2-CG2 4.12Å; I92-V126 HydrophobicContact CG2-CB 4.42Å; I92-V126 HydrophobicContact CG2-CG2 3.65Å; I92-M168 HydrophobicContact CD1-CE 4.4Å; I92-M168 HydrophobicContact CD1-SD 3.91Å; I92-M168 HydrophobicContact CG1-SD 4.24Å; I92-M168 HydrophobicContact CG2-CE 4.44Å; I92-M168 HydrophobicContact CG2-SD 3.97Å; I92-F169 HydrophobicContact CD1-CD1 4.11Å; I92-F169 HydrophobicContact CD1-CE1 3.66Å; I92-F169 HydrophobicContact CD1-CZ 4.34Å; I92-I172 HydrophobicContact CD1-CG2 4.19Å; I92-I172 HydrophobicContact CG1-CG1 4.26Å; I92-I172 HydrophobicContact CG1-CG2 4.24Å
93	I	97.1	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.4	-179.6	-49.6	-177.8	0	0	0	107.7	I21 I91 V106 W109 V110 I124 L125 V126	I21-I93 HydrophobicContact CD1-CD1 4.41Å; I21-I93 HydrophobicContact CD1-CG1 3.95Å; I21-I93 HydrophobicContact CG1-CB 4.32Å; I21-I93 HydrophobicContact CG1-CG1 3.93Å; I21-I93 HydrophobicContact CG1-CG2 4.35Å; I91-I93 HydrophobicContact CG2-CG1 3.95Å; I93-V106 HydrophobicContact CG2-CG1 4.33Å; I93-W109 HydrophobicContact CG2-CB 3.81Å; I93-V110 HydrophobicContact CD1-CB 4.44Å; I93-V110 HydrophobicContact CD1-CG2 3.59Å; I93-I124 PolarHBondContact N-O 3.45Å; I93-L125 HydrophobicContact CB-CD1 4.3Å; I93-L125 HydrophobicContact CG2-CD1 4.21Å; I93-V126 PolarHBondContact O-N 2.89Å
94	V	97.8	Very high	96.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.4	-173.6	-168.2	0	0	0	0	110.6	I21 G22 V26 K28 L31 I92 V126 N128	I21-V94 PolarHBondContact O-N 2.89Å; G22-V94 WeakPolarHBondContact CA-O 3.31Å; V26-V94 HydrophobicContact CB-CG1 4.11Å; V26-V94 HydrophobicContact CG2-CB 3.75Å; V26-V94 HydrophobicContact CG2-CG1 3.72Å; K28-V94 HydrophobicContact CG-CB 4.05Å; K28-V94 HydrophobicContact CG-CG2 4.04Å; L31-V94 HydrophobicContact CD1-CG1 3.97Å; L31-V94 HydrophobicContact CD1-CG2 4.13Å; I92-V94 HydrophobicContact CG2-CG2 3.82Å; V94-V126 WeakPolarHBondContact CA-O 3.2Å; V94-V126 HydrophobicContact CG2-CB 4.38Å; V94-N128 HydrophobicContact CG1-CB 3.79Å
95	Y	98	Very high	96.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	163	166.4	76.4	-81.3	0	0	0	110	V97 F103 V106 L125 V126 G127 N128 V138 A143 F154	Y95-V97 HydrophobicContact CE2-CB 4.39Å; Y95-V97 HydrophobicContact CE2-CG1 3.95Å; Y95-F103 HydrophobicContact CD1-CD2 4.44Å; Y95-F103 HydrophobicContact CD2-CB 3.86Å; Y95-F103 AromaticContact CD2-CD2 3.97Å; Y95-F103 HydrophobicContact CD2-CD2 3.97Å; Y95-F103 HydrophobicContact CD2-CG 4.38Å; Y95-F103 HydrophobicContact CE1-CD2 4.34Å; Y95-F103 HydrophobicContact CE2-CB 4.3Å; Y95-F103 AromaticContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CG 4.44Å; Y95-F103 HydrophobicContact CG-CB 4.47Å; Y95-F103 HydrophobicContact CG-CD2 4.27Å; Y95-V106 HydrophobicContact CD1-CG2 4.21Å; Y95-V106 HydrophobicContact CG-CG2 4.21Å; Y95-L125 HydrophobicContact CD1-CD1 3.7Å; Y95-L125 HydrophobicContact CD1-CG 4.17Å; Y95-L125 HydrophobicContact CE1-CD1 4.04Å; Y95-L125 HydrophobicContact CE1-CD2 4.3Å; Y95-L125 HydrophobicContact CE1-CG 3.97Å; Y95-V126 VanDerWaalsContact CD1-O 3.27Å; Y95-V126 WeakPolarHBondContact CD1-O 3.5Å; Y95-V126 PolarHBondContact N-O 2.86Å; Y95-G127 VanDerWaalsContact CZ-CA 3.42Å; Y95-N128 PolarHBondContact O-N 2.65Å; Y95-V138 HydrophobicContact CE2-CB 4.04Å; Y95-V138 HydrophobicContact CE2-CG1 3.83Å; Y95-V138 HydrophobicContact CE2-CG2 4.17Å; Y95-A143 HydrophobicContact CE1-CB 4.39Å; Y95-A143 WeakPolarHBondContact OH-CB 3.47Å; Y95-F154 HydrophobicContact CE1-CE2 4.47Å
96	D	98.1	Very high	96.9	Very high	16 Å²	16	35.8 Å²	35.8	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122	174.2	-175.9	-17.5	0	0	0	108.9	V26 N98 D99 T102 K129	V26-D96 HydrophobicContact CG1-CB 4.44Å; D96-N98 PolarHBondContact O-N 2.87Å; D96-N98 VanDerWaalsContact O-N 3.13Å; D96-N98 WeakPolarHBondContact OD1-CB 3.33Å; D96-N98 PolarHBondContact OD1-N 2.8Å; D96-N98 PolarHBondContact OD1-ND2 3.11Å; D96-D99 HydrophobicContact CB-CB 4.11Å; D96-D99 PolarHBondContact O-N 3.05Å; D96-T102 HydrophobicContact CB-CG2 4.4Å; D96-T102 PolarHBondContact N-OG1 2.96Å; D96-T102 PolarHBondContact O-OG1 3.01Å; D96-K129 VanDerWaalsContact OD2-CD 3.29Å; D96-K129 WeakPolarHBondContact OD2-CD 3.49Å; D96-K129 VanDerWaalsContact OD2-CE 3.25Å; D96-K129 WeakPolarHBondContact OD2-CE 3.39Å; D96-K129 IonicContact OD2-NZ 2.82Å; D96-K129 PolarHBondContact OD2-NZ 2.95Å
97	V	98.6	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.3	-179.4	-55.6	0	0	0	0	113.3	Y95 N128 K129 N130 K136 T137 V138 E156	Y95-V97 HydrophobicContact CE2-CB 4.39Å; Y95-V97 HydrophobicContact CE2-CG1 3.95Å; V97-N128 PolarHBondContact N-O 3.28Å; V97-K129 WeakPolarHBondContact CG2-O 3.39Å; V97-N130 HydrophobicContact CG2-CB 4.11Å; V97-K136 HydrophobicContact CB-CG 4.23Å; V97-K136 HydrophobicContact CG2-CG 4.26Å; V97-T137 PolarHBondContact O-N 3.46Å; V97-T137 PolarHBondContact O-OG1 2.9Å; V97-V138 PolarHBondContact O-N 2.89Å; V97-E156 HydrophobicContact CG1-CG 4.49Å
98	N	98.2	Very high	97.2	Very high	38 Å²	38	36 Å²	36	20%	0.203	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-6.4	178.5	-44.8	-65.1	0	0	0	112.5	D96 K129 L135 K136 T137	D96-N98 PolarHBondContact O-N 2.87Å; D96-N98 VanDerWaalsContact O-N 3.13Å; D96-N98 WeakPolarHBondContact OD1-CB 3.33Å; D96-N98 PolarHBondContact OD1-N 2.8Å; D96-N98 PolarHBondContact OD1-ND2 3.11Å; N98-K129 WeakPolarHBondContact ND2-CB 3.45Å; N98-K129 PolarHBondContact ND2-O 2.85Å; N98-L135 WeakPolarHBondContact CB-O 3.2Å; N98-L135 VanDerWaalsContact OD1-CB 3.28Å; N98-L135 WeakPolarHBondContact OD1-CB 3.41Å; N98-L135 PolarHBondContact OD1-O 2.94Å; N98-K136 PolarHBondContact OD1-N 3.48Å; N98-T137 WeakPolarHBondContact O-CG2 3.38Å; N98-T137 PolarHBondContact O-OG1 3.25Å
99	D	97.7	Very high	97.1	Very high	66 Å²	66	36 Å²	36	35%	0.353	18%	0.181	S	C	.	.			trans	-125	98.8	178.3	-173.3	-8.7	0	0	0	112.3	D96 K101 T102 F103 T137	D96-D99 HydrophobicContact CB-CB 4.11Å; D96-D99 PolarHBondContact O-N 3.05Å; D99-K101 PolarHBondContact O-N 3.33Å; D99-K101 VanDerWaalsContact O-N 3.1Å; D99-K101 WeakPolarHBondContact OD1-CB 3.38Å; D99-K101 PolarHBondContact OD1-N 3.12Å; D99-T102 HydrophobicContact CB-CG2 3.91Å; D99-T102 PolarHBondContact O-N 3.3Å; D99-T102 PolarHBondContact O-OG1 3.07Å; D99-T102 WeakPolarHBondContact OD2-CG2 3.38Å; D99-F103 PolarHBondContact O-N 3.24Å; D99-T137 PolarHBondContact N-OG1 3.14Å
100	V	97.9	Very high	97	Very high	67 Å²	67	33.9 Å²	33.9	41%	0.406	17%	0.172	S	C	.	.	H	α-helix	trans	-52.3	-32.2	175.7	-176.3	0	0	0	0	112.9	T102 F103 C104 T137 V138	V100-T102 VanDerWaalsContact C-N 3.31Å; V100-T102 PolarHBondContact O-N 2.92Å; V100-F103 WeakPolarHBondContact O-CB 3.42Å; V100-F103 PolarHBondContact O-N 3.04Å; V100-C104 PolarHBondContact O-N 3.21Å; V100-C104 PolarHBondContact O-SG 3.36Å; V100-T137 WeakPolarHBondContact CG2-OG1 3.27Å; V100-V138 HydrophobicContact CG2-CG2 4.21Å
101	K	97.5	Very high	96.8	Very high	147 Å²	147	40.7 Å²	40.7	64%	0.639	20%	0.202	S	C	*	.	H	α-helix	trans	-64.1	-40.1	179.4	-175.3	-177.2	173.9	-176	0	111.2	D99 F103 C104 N105	D99-K101 PolarHBondContact O-N 3.33Å; D99-K101 VanDerWaalsContact O-N 3.1Å; D99-K101 WeakPolarHBondContact OD1-CB 3.38Å; D99-K101 PolarHBondContact OD1-N 3.12Å; K101-F103 VanDerWaalsContact C-N 3.3Å; K101-C104 PolarHBondContact O-N 3.5Å; K101-N105 PolarHBondContact O-N 3.36Å; K101-N105 VanDerWaalsContact O-N 3.13Å; K101-N105 PolarHBondContact O-ND2 3.37Å
102	T	97	Very high	96.5	Very high	8 Å²	8	42 Å²	42	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-36.7	177.8	71.8	0	0	0	0	110.9	D23 V26 D96 D99 V100 N105 V106	D23-T102 HydrophobicContact CB-CG2 4.1Å; V26-T102 HydrophobicContact CG1-CG2 3.78Å; D96-T102 HydrophobicContact CB-CG2 4.4Å; D96-T102 PolarHBondContact N-OG1 2.96Å; D96-T102 PolarHBondContact O-OG1 3.01Å; D99-T102 HydrophobicContact CB-CG2 3.91Å; D99-T102 PolarHBondContact O-N 3.3Å; D99-T102 PolarHBondContact O-OG1 3.07Å; D99-T102 WeakPolarHBondContact OD2-CG2 3.38Å; V100-T102 VanDerWaalsContact C-N 3.31Å; V100-T102 PolarHBondContact O-N 2.92Å; T102-N105 PolarHBondContact O-N 3.18Å; T102-V106 PolarHBondContact O-N 3.08Å
103	F	98.4	Very high	96.2	Very high	33 Å²	33	42.1 Å²	42.1	15%	0.145	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-46	173.2	-179.6	-111.2	0	0	0	112.5	Y95 D99 V100 K101 N105 V106 V138 D142 A143 L146	Y95-F103 HydrophobicContact CD1-CD2 4.44Å; Y95-F103 HydrophobicContact CD2-CB 3.86Å; Y95-F103 AromaticContact CD2-CD2 3.97Å; Y95-F103 HydrophobicContact CD2-CD2 3.97Å; Y95-F103 HydrophobicContact CD2-CG 4.38Å; Y95-F103 HydrophobicContact CE1-CD2 4.34Å; Y95-F103 HydrophobicContact CE2-CB 4.3Å; Y95-F103 AromaticContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CD2 3.88Å; Y95-F103 HydrophobicContact CE2-CG 4.44Å; Y95-F103 HydrophobicContact CG-CB 4.47Å; Y95-F103 HydrophobicContact CG-CD2 4.27Å; D99-F103 PolarHBondContact O-N 3.24Å; V100-F103 WeakPolarHBondContact O-CB 3.42Å; V100-F103 PolarHBondContact O-N 3.04Å; K101-F103 VanDerWaalsContact C-N 3.3Å; F103-N105 PolarHBondContact O-N 2.82Å; F103-N105 VanDerWaalsContact O-N 3.16Å; F103-V106 HydrophobicContact CD2-CG2 4.33Å; F103-V106 VanDerWaalsContact O-CB 3.22Å; F103-V106 WeakPolarHBondContact O-CB 3.39Å; F103-V106 VanDerWaalsContact O-CG2 3.3Å; F103-V106 WeakPolarHBondContact O-CG2 3.24Å; F103-V106 PolarHBondContact O-N 3.49Å; F103-V138 HydrophobicContact CB-CG1 4.15Å; F103-V138 HydrophobicContact CB-CG2 3.66Å; F103-V138 HydrophobicContact CD1-CG1 3.82Å; F103-V138 HydrophobicContact CD1-CG2 4.42Å; F103-V138 HydrophobicContact CD2-CG1 3.74Å; F103-V138 HydrophobicContact CE1-CG1 4.12Å; F103-V138 HydrophobicContact CE2-CG1 4.05Å; F103-V138 HydrophobicContact CG-CG1 3.62Å; F103-V138 HydrophobicContact CG-CG2 4.05Å; F103-V138 HydrophobicContact CZ-CG1 4.22Å; F103-D142 HydrophobicContact CZ-CB 4.43Å; F103-A143 HydrophobicContact CE2-CB 3.75Å; F103-A143 HydrophobicContact CZ-CB 4.29Å; F103-L146 HydrophobicContact CD2-CD2 4.25Å; F103-L146 HydrophobicContact CE1-CD2 4.45Å; F103-L146 HydrophobicContact CE2-CB 4.27Å; F103-L146 HydrophobicContact CE2-CD2 3.5Å; F103-L146 HydrophobicContact CZ-CB 4.06Å; F103-L146 HydrophobicContact CZ-CD2 3.63Å; F103-L146 HydrophobicContact CZ-CG 4.47Å
104	C	97.3	Very high	96	Very high	85 Å²	85	47.2 Å²	47.2	57%	0.574	23%	0.232	S	C	*	.	H	α-helix	trans	-59.6	-26.3	175.1	-71.7	0	0	0	0	113.1	V100 K101	V100-C104 PolarHBondContact O-N 3.21Å; V100-C104 PolarHBondContact O-SG 3.36Å; K101-C104 PolarHBondContact O-N 3.5Å
105	N	95.9	Very high	95.8	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.139	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.9	176.3	-74.4	-34.2	0	0	0	113.7	D23 K101 T102 F103 E107 K108 W109	D23-N105 PolarHBondContact OD2-ND2 2.89Å; K101-N105 PolarHBondContact O-N 3.36Å; K101-N105 VanDerWaalsContact O-N 3.13Å; K101-N105 PolarHBondContact O-ND2 3.37Å; T102-N105 PolarHBondContact O-N 3.18Å; F103-N105 PolarHBondContact O-N 2.82Å; F103-N105 VanDerWaalsContact O-N 3.16Å; N105-E107 VanDerWaalsContact C-N 3.3Å; N105-E107 PolarHBondContact O-N 3.47Å; N105-K108 WeakPolarHBondContact O-CB 3.3Å; N105-K108 PolarHBondContact O-N 2.85Å; N105-K108 PolarHBondContact OD1-NZ 3.39Å; N105-K108 VanDerWaalsContact OD1-NZ 3.12Å; N105-W109 PolarHBondContact O-N 3.07Å
106	V	96.5	Very high	95.5	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-42.7	179.9	167.8	0	0	0	0	112.1	I93 Y95 T102 F103 K108 W109 V110 L125 L146	I93-V106 HydrophobicContact CG2-CG1 4.33Å; Y95-V106 HydrophobicContact CD1-CG2 4.21Å; Y95-V106 HydrophobicContact CG-CG2 4.21Å; T102-V106 PolarHBondContact O-N 3.08Å; F103-V106 HydrophobicContact CD2-CG2 4.33Å; F103-V106 VanDerWaalsContact O-CB 3.22Å; F103-V106 WeakPolarHBondContact O-CB 3.39Å; F103-V106 VanDerWaalsContact O-CG2 3.3Å; F103-V106 WeakPolarHBondContact O-CG2 3.24Å; F103-V106 PolarHBondContact O-N 3.49Å; V106-K108 PolarHBondContact O-N 3.36Å; V106-W109 WeakPolarHBondContact O-CB 3.43Å; V106-W109 PolarHBondContact O-N 3.49Å; V106-V110 HydrophobicContact CG1-CG2 4.16Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.44Å; V106-L125 HydrophobicContact CB-CD1 4.39Å; V106-L125 HydrophobicContact CG1-CD1 3.55Å; V106-L125 HydrophobicContact CG1-CD2 4.3Å; V106-L125 HydrophobicContact CG2-CD1 3.85Å; V106-L146 HydrophobicContact CB-CD2 3.87Å; V106-L146 HydrophobicContact CG1-CD2 3.67Å; V106-L146 HydrophobicContact CG1-CG 4.46Å
107	E	95.8	Very high	95.2	Very high	86 Å²	86	57.1 Å²	57.1	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-30.2	179.2	-70	-167.2	125.1	0	0	112.7	N105 K111 L146 K149	N105-E107 VanDerWaalsContact C-N 3.3Å; N105-E107 PolarHBondContact O-N 3.47Å; E107-K111 WeakPolarHBondContact O-CB 3.4Å; E107-K111 PolarHBondContact O-N 3.23Å; E107-L146 HydrophobicContact CG-CD1 3.72Å; E107-K149 IonicContact OE1-NZ 2.7Å; E107-K149 PolarHBondContact OE1-NZ 3.39Å
108	K	93.8	Very high	94.9	Very high	126 Å²	126	60.4 Å²	60.4	55%	0.548	30%	0.301	S	S	.	.	H	α-helix	trans	-66.9	-43.4	173.2	-66.3	176.6	-177.7	159.6	0	111	N105 V106 K111 E112	N105-K108 WeakPolarHBondContact O-CB 3.3Å; N105-K108 PolarHBondContact O-N 2.85Å; N105-K108 PolarHBondContact OD1-NZ 3.39Å; N105-K108 VanDerWaalsContact OD1-NZ 3.12Å; V106-K108 PolarHBondContact O-N 3.36Å; K108-K111 PolarHBondContact O-N 2.97Å; K108-E112 WeakPolarHBondContact O-CB 3.42Å; K108-E112 PolarHBondContact O-N 3.02Å
109	W	93.7	Very high	94.6	Very high	4 Å²	4	68 Å²	68	2%	0.015	34%	0.336	C	S	.	.	H	α-helix	trans	-65.8	-39.4	177.1	-66.7	112.8	0	0	0	112.4	I21 G22 D23 I93 N105 V106 E112 A113	I21-W109 HydrophobicContact CB-CE3 4.02Å; I21-W109 HydrophobicContact CB-CZ3 4.38Å; I21-W109 HydrophobicContact CD1-CB 3.96Å; I21-W109 HydrophobicContact CD1-CE3 4.16Å; I21-W109 HydrophobicContact CG1-CB 4.41Å; I21-W109 HydrophobicContact CG1-CE3 4.35Å; G22-W109 VanDerWaalsContact CA-CE2 3.47Å; G22-W109 VanDerWaalsContact O-CZ2 3.23Å; G22-W109 WeakPolarHBondContact O-CZ2 3.48Å; D23-W109 PolarHBondContact OD1-NE1 2.96Å; I93-W109 HydrophobicContact CG2-CB 3.81Å; N105-W109 PolarHBondContact O-N 3.07Å; V106-W109 WeakPolarHBondContact O-CB 3.43Å; V106-W109 PolarHBondContact O-N 3.49Å; W109-E112 PolarHBondContact O-N 2.81Å; W109-A113 WeakPolarHBondContact O-CB 3.25Å; W109-A113 PolarHBondContact O-N 3.5Å
110	V	95	Very high	94.4	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.024	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-47.6	172.8	172.2	0	0	0	0	110.8	I93 V106 E112 A113 Q114 N150	I93-V110 HydrophobicContact CD1-CB 4.44Å; I93-V110 HydrophobicContact CD1-CG2 3.59Å; V106-V110 HydrophobicContact CG1-CG2 4.16Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.44Å; V110-E112 VanDerWaalsContact C-N 3.33Å; V110-E112 PolarHBondContact O-N 3.1Å; V110-A113 PolarHBondContact O-N 3.16Å; V110-Q114 HydrophobicContact CG1-CG 4.33Å; V110-Q114 WeakPolarHBondContact O-CB 3.48Å; V110-Q114 VanDerWaalsContact O-CG 3.3Å; V110-Q114 WeakPolarHBondContact O-CG 3.46Å; V110-Q114 PolarHBondContact O-N 2.68Å; V110-N150 HydrophobicContact CG1-CB 3.95Å; V110-N150 WeakPolarHBondContact CG1-OD1 3.23Å; V110-N150 HydrophobicContact CG2-CB 4.29Å
111	K	93.5	Very high	94.3	Very high	143 Å²	143	65 Å²	65	62%	0.622	33%	0.331	S	S	*	.	H	α-helix	trans	-62.7	-40.5	179.2	-174.6	178.4	-179.7	179.7	0	111.9	E107 K108 Q114 T115	E107-K111 WeakPolarHBondContact O-CB 3.4Å; E107-K111 PolarHBondContact O-N 3.23Å; K108-K111 PolarHBondContact O-N 2.97Å; K111-Q114 PolarHBondContact O-N 3.27Å; K111-T115 WeakPolarHBondContact O-CB 2.92Å; K111-T115 PolarHBondContact O-N 3.47Å; K111-T115 PolarHBondContact O-OG1 3.44Å
112	E	90.9	Very high	94.3	Very high	30 Å²	30	58.1 Å²	58.1	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-49.4	174.8	-168.3	176.7	116.2	0	0	110.9	Y85 K108 W109 V110 Q114 T115 Y116	Y85-E112 HydrophobicContact CE2-CG 3.92Å; Y85-E112 VanDerWaalsContact CE2-OE1 3.3Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.14Å; Y85-E112 WeakPolarHBondContact OH-CG 3.34Å; Y85-E112 PolarHBondContact OH-OE1 2.98Å; K108-E112 WeakPolarHBondContact O-CB 3.42Å; K108-E112 PolarHBondContact O-N 3.02Å; W109-E112 PolarHBondContact O-N 2.81Å; V110-E112 VanDerWaalsContact C-N 3.33Å; V110-E112 PolarHBondContact O-N 3.1Å; E112-Q114 VanDerWaalsContact C-N 3.35Å; E112-Q114 PolarHBondContact O-N 2.91Å; E112-T115 WeakPolarHBondContact O-CB 3.48Å; E112-T115 PolarHBondContact O-N 2.82Å; E112-Y116 HydrophobicContact CG-CD2 3.75Å; E112-Y116 HydrophobicContact CG-CE2 3.81Å; E112-Y116 VanDerWaalsContact O-CD2 3.24Å; E112-Y116 WeakPolarHBondContact O-CD2 3.45Å; E112-Y116 PolarHBondContact O-N 3.32Å; E112-Y116 VanDerWaalsContact O-N 3.14Å
113	A	92.4	Very high	94.4	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-58	-44.3	175.9	0	0	0	0	0	112.6	I21 Y85 I91 W109 V110 T115 Y116 A117	I21-A113 HydrophobicContact CD1-CB 4.31Å; Y85-A113 HydrophobicContact CD1-CB 4.35Å; Y85-A113 HydrophobicContact CE1-CB 3.84Å; I91-A113 HydrophobicContact CD1-CB 3.73Å; I91-A113 HydrophobicContact CG2-CB 4.42Å; W109-A113 WeakPolarHBondContact O-CB 3.25Å; W109-A113 PolarHBondContact O-N 3.5Å; V110-A113 PolarHBondContact O-N 3.16Å; A113-T115 PolarHBondContact O-N 3.15Å; A113-Y116 PolarHBondContact O-N 3.06Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 2.83Å
114	Q	93	Very high	94.4	Very high	107 Å²	107	58.7 Å²	58.7	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-27.5	176.7	-73.1	171	-15	0	0	113.2	V110 K111 E112	V110-Q114 HydrophobicContact CG1-CG 4.33Å; V110-Q114 WeakPolarHBondContact O-CB 3.48Å; V110-Q114 VanDerWaalsContact O-CG 3.3Å; V110-Q114 WeakPolarHBondContact O-CG 3.46Å; V110-Q114 PolarHBondContact O-N 2.68Å; K111-Q114 PolarHBondContact O-N 3.27Å; E112-Q114 VanDerWaalsContact C-N 3.35Å; E112-Q114 PolarHBondContact O-N 2.91Å
115	T	92.5	Very high	94.5	Very high	87 Å²	87	54.8 Å²	54.8	53%	0.534	28%	0.275	S	S	.	.	H	α-helix	trans	-80.2	-36.3	-178.2	-57.2	0	0	0	0	112	K111 E112 A113	K111-T115 WeakPolarHBondContact O-CB 2.92Å; K111-T115 PolarHBondContact O-N 3.47Å; K111-T115 PolarHBondContact O-OG1 3.44Å; E112-T115 WeakPolarHBondContact O-CB 3.48Å; E112-T115 PolarHBondContact O-N 2.82Å; A113-T115 PolarHBondContact O-N 3.15Å
116	Y	91.6	Very high	94.6	Very high	118 Å²	118	53.5 Å²	53.5	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-115.1	-18	-168.7	-59.1	-63.4	0	0	0	115.3	Y85 E112 A113	Y85-Y116 WeakPolarHBondContact CB-O 3.19Å; Y85-Y116 HydrophobicContact CD2-CD2 4.26Å; Y85-Y116 HydrophobicContact CD2-CG 4.37Å; Y85-Y116 HydrophobicContact CE2-CD2 4.32Å; E112-Y116 HydrophobicContact CG-CD2 3.75Å; E112-Y116 HydrophobicContact CG-CE2 3.81Å; E112-Y116 VanDerWaalsContact O-CD2 3.24Å; E112-Y116 WeakPolarHBondContact O-CD2 3.45Å; E112-Y116 PolarHBondContact O-N 3.32Å; E112-Y116 VanDerWaalsContact O-N 3.14Å; A113-Y116 PolarHBondContact O-N 3.06Å
117	A	93.1	Very high	94.7	Very high	22 Å²	22	53.4 Å²	53.4	18%	0.182	27%	0.268	C	S	.	.	S	Bend	trans	-82.6	155.6	178.8	0	0	0	0	0	111.6	Y85 I91 A113 V121	Y85-A117 HydrophobicContact CD1-CB 4.32Å; I91-A117 HydrophobicContact CD1-CB 3.69Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 2.83Å; A117-V121 HydrophobicContact CB-CG2 4.33Å
118	D	92.5	Very high	94.9	Very high	69 Å²	69	49.5 Å²	49.5	37%	0.369	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-66	164.7	173.1	-60.1	-49.2	0	0	0	110.9	R86 G87 V121	R86-D118 IonicContact NH1-OD1 3.53Å; G87-D118 VanDerWaalsContact CA-OD2 3.29Å; G87-D118 WeakPolarHBondContact CA-OD2 3.11Å; G87-D118 PolarHBondContact N-OD2 3.02Å; D118-V121 HydrophobicContact CB-CG2 4.36Å; D118-V121 WeakPolarHBondContact O-CG2 3.24Å
119	E	91.1	Very high	95	Very high	198 Å²	198	45.4 Å²	45.4	93%	0.925	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	154.2	171.9	-66.6	-176.6	-176.5	0	0	111.5	V121	E119-V121 VanDerWaalsContact C-N 3.33Å; E119-V121 PolarHBondContact O-N 3.46Å
120	G	92.4	Very high	95.2	Very high	59 Å²	59	46 Å²	46	61%	0.608	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	22.7	176.4	0	0	0	0	0	114.7	L179	G120-L179 WeakPolarHBondContact O-CD1 3.14Å
121	V	96.6	Very high	95.3	Very high	9 Å²	9	48.7 Å²	48.7	6%	0.055	25%	0.248	C	C	.	.			trans	-84.5	129.2	177.1	176.7	0	0	0	0	110.9	A88 I91 A117 D118 E119 R123	A88-V121 WeakPolarHBondContact O-CG2 3.1Å; I91-V121 HydrophobicContact CD1-CG1 3.83Å; I91-V121 HydrophobicContact CG1-CG1 3.78Å; A117-V121 HydrophobicContact CB-CG2 4.33Å; D118-V121 HydrophobicContact CB-CG2 4.36Å; D118-V121 WeakPolarHBondContact O-CG2 3.24Å; E119-V121 VanDerWaalsContact C-N 3.33Å; E119-V121 PolarHBondContact O-N 3.46Å; V121-R123 PolarHBondContact O-NH1 2.54Å
122	A	98.1	Very high	95.3	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142	174.8	0	0	0	0	0	110.2	H89 G90 I91 I172 E175 A176 L179	H89-A122 PolarHBondContact O-N 3.45Å; G90-A122 CarbonylContact C-O 3.44Å; G90-A122 VanDerWaalsContact CA-O 3.23Å; G90-A122 WeakPolarHBondContact CA-O 3.34Å; I91-A122 PolarHBondContact N-O 3.22Å; A122-I172 HydrophobicContact CB-CD1 3.58Å; A122-E175 HydrophobicContact CB-CB 4.14Å; A122-E175 HydrophobicContact CB-CG 3.71Å; A122-A176 HydrophobicContact CB-CB 4.03Å; A122-L179 HydrophobicContact CB-CD1 3.89Å
123	R	98.2	Very high	95.5	Very high	54 Å²	54	48.8 Å²	48.8	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.6	177.7	-65.9	-176.5	-67.5	-84.2	-1.7	110.6	I91 V121 C152 L153	I91-R123 HydrophobicContact CB-CG 4.34Å; I91-R123 WeakPolarHBondContact O-CA 3.44Å; V121-R123 PolarHBondContact O-NH1 2.54Å; R123-C152 HydrophobicContact CB-CB 4.32Å; R123-C152 WeakPolarHBondContact O-CA 3.3Å; R123-L153 PolarHBondContact O-N 2.78Å
124	I	98.7	Very high	95.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.1	172.4	-171	160.5	0	0	0	109.8	I91 I92 I93 V126 L153 I155 M168 I171 I172	I91-I124 PolarHBondContact O-N 2.91Å; I92-I124 HydrophobicContact CB-CG2 4.13Å; I92-I124 HydrophobicContact CG1-CG2 3.81Å; I92-I124 HydrophobicContact CG2-CG2 4.12Å; I93-I124 PolarHBondContact N-O 3.45Å; I124-V126 HydrophobicContact CG1-CG2 4.07Å; I124-V126 HydrophobicContact CG2-CG2 4.06Å; I124-L153 CarbonylContact C-O 3.59Å; I124-L153 WeakPolarHBondContact CA-O 3.48Å; I124-L153 HydrophobicContact CB-CB 4Å; I124-L153 HydrophobicContact CD1-CB 4.06Å; I124-L153 HydrophobicContact CG1-CB 3.82Å; I124-I155 HydrophobicContact CD1-CB 4.42Å; I124-I155 HydrophobicContact CD1-CG2 3.63Å; I124-I155 HydrophobicContact CG1-CG2 4.16Å; I124-M168 HydrophobicContact CD1-CG 4.23Å; I124-I171 HydrophobicContact CD1-CB 4.44Å; I124-I171 HydrophobicContact CD1-CG2 3.91Å; I124-I172 HydrophobicContact CB-CB 4.48Å; I124-I172 HydrophobicContact CB-CD1 4.06Å; I124-I172 HydrophobicContact CG2-CB 3.89Å; I124-I172 HydrophobicContact CG2-CD1 3.85Å; I124-I172 HydrophobicContact CG2-CG1 3.86Å
125	L	98.8	Very high	95.8	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.5	167.3	-180	61.7	0	0	0	108.2	I93 Y95 V106 A147 C152 L153 F154 I155	I93-L125 HydrophobicContact CB-CD1 4.3Å; I93-L125 HydrophobicContact CG2-CD1 4.21Å; Y95-L125 HydrophobicContact CD1-CD1 3.7Å; Y95-L125 HydrophobicContact CD1-CG 4.17Å; Y95-L125 HydrophobicContact CE1-CD1 4.04Å; Y95-L125 HydrophobicContact CE1-CD2 4.3Å; Y95-L125 HydrophobicContact CE1-CG 3.97Å; V106-L125 HydrophobicContact CB-CD1 4.39Å; V106-L125 HydrophobicContact CG1-CD1 3.55Å; V106-L125 HydrophobicContact CG1-CD2 4.3Å; V106-L125 HydrophobicContact CG2-CD1 3.85Å; L125-A147 HydrophobicContact CB-CB 4.09Å; L125-A147 HydrophobicContact CD2-CB 4Å; L125-C152 HydrophobicContact CB-CB 4.34Å; L125-L153 PolarHBondContact N-O 2.88Å; L125-F154 HydrophobicContact CB-CD2 4.26Å; L125-F154 HydrophobicContact CD2-CD2 4.2Å; L125-F154 HydrophobicContact CG-CD2 4.2Å; L125-F154 WeakPolarHBondContact O-CA 3.35Å; L125-I155 PolarHBondContact O-N 3.05Å; L125-I155 VanDerWaalsContact O-N 3.14Å
126	V	98.8	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.1	-176.2	-177.8	0	0	0	0	109.6	L31 I92 I93 V94 Y95 I124 I155 T157 M168	L31-V126 HydrophobicContact CD1-CG1 4.23Å; I92-V126 HydrophobicContact CG2-CB 4.42Å; I92-V126 HydrophobicContact CG2-CG2 3.65Å; I93-V126 PolarHBondContact O-N 2.89Å; V94-V126 WeakPolarHBondContact CA-O 3.2Å; V94-V126 HydrophobicContact CG2-CB 4.38Å; Y95-V126 VanDerWaalsContact CD1-O 3.27Å; Y95-V126 WeakPolarHBondContact CD1-O 3.5Å; Y95-V126 PolarHBondContact N-O 2.86Å; I124-V126 HydrophobicContact CG1-CG2 4.07Å; I124-V126 HydrophobicContact CG2-CG2 4.06Å; V126-I155 VanDerWaalsContact CA-O 3.32Å; V126-I155 WeakPolarHBondContact CA-O 3.06Å; V126-I155 HydrophobicContact CG2-CG2 4.07Å; V126-T157 HydrophobicContact CG1-CG2 3.83Å; V126-T157 VanDerWaalsContact CG1-OG1 3.26Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.4Å; V126-M168 HydrophobicContact CG1-CG 4.28Å; V126-M168 HydrophobicContact CG2-CG 3.58Å; V126-M168 HydrophobicContact CG2-SD 4.03Å
127	G	98.8	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	107.7	166.5	0	0	0	0	0	109.4	Y95 I155 E156 T157	Y95-G127 VanDerWaalsContact CZ-CA 3.42Å; G127-I155 PolarHBondContact N-O 3.3Å; G127-E156 CarbonylContact O-C 3.49Å; G127-E156 WeakPolarHBondContact O-CA 3.44Å; G127-T157 PolarHBondContact O-N 3.34Å; G127-T157 PolarHBondContact O-OG1 2.93Å
128	N	98.6	Very high	96.5	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	166.1	179.2	-173.8	38.7	0	0	0	111.6	V26 L31 V94 Y95 V97 N130 T157 A159	V26-N128 PolarHBondContact O-ND2 3.26Å; L31-N128 HydrophobicContact CD1-CB 4.2Å; V94-N128 HydrophobicContact CG1-CB 3.79Å; Y95-N128 PolarHBondContact O-N 2.65Å; V97-N128 PolarHBondContact N-O 3.28Å; N128-N130 VanDerWaalsContact C-N 3.32Å; N128-T157 CarbonylContact C-O 3.5Å; N128-T157 WeakPolarHBondContact CA-O 3.49Å; N128-T157 PolarHBondContact OD1-O 3.33Å; N128-T157 PolarHBondContact OD1-OG1 2.83Å; N128-A159 PolarHBondContact OD1-N 2.96Å
129	K	97.7	Very high	96.8	Very high	40 Å²	40	50.8 Å²	50.8	17%	0.174	27%	0.272	C	S	.	.			trans	64.9	32.4	-176.2	-46.1	-169.1	-161.6	163.8	0	113.4	N25 D96 V97 N98 E131 T157	N25-K129 VanDerWaalsContact O-CE 3.26Å; N25-K129 WeakPolarHBondContact O-CE 3.2Å; N25-K129 PolarHBondContact O-NZ 3.42Å; D96-K129 VanDerWaalsContact OD2-CD 3.29Å; D96-K129 WeakPolarHBondContact OD2-CD 3.49Å; D96-K129 VanDerWaalsContact OD2-CE 3.25Å; D96-K129 WeakPolarHBondContact OD2-CE 3.39Å; D96-K129 IonicContact OD2-NZ 2.82Å; D96-K129 PolarHBondContact OD2-NZ 2.95Å; V97-K129 WeakPolarHBondContact CG2-O 3.39Å; N98-K129 WeakPolarHBondContact ND2-CB 3.45Å; N98-K129 PolarHBondContact ND2-O 2.85Å; K129-E131 PolarHBondContact O-N 3.06Å; K129-T157 PolarHBondContact N-O 3.06Å; K129-T157 VanDerWaalsContact N-O 3.09Å
130	N	97.9	Very high	97.1	Very high	18 Å²	18	43.3 Å²	43.3	10%	0.096	24%	0.24	C	C	.	.			trans	-74.1	67.3	172.4	-168.4	58.8	0	0	0	110.4	V97 N128 K136 E156 T157	V97-N130 HydrophobicContact CG2-CB 4.11Å; N128-N130 VanDerWaalsContact C-N 3.32Å; N130-K136 WeakPolarHBondContact OD1-CE 3.31Å; N130-K136 PolarHBondContact OD1-NZ 2.62Å; N130-E156 HydrophobicContact CB-CB 4.25Å; N130-T157 WeakPolarHBondContact CB-O 3.21Å; N130-T157 PolarHBondContact N-O 3.37Å
131	E	95.6	Very high	97.4	Very high	60 Å²	60	43.5 Å²	43.5	28%	0.28	23%	0.231	S	C	.	.			trans	-98.4	-30.9	-172.5	-67.7	159.5	-155.7	0	0	112.3	K129 S158 K160	K129-E131 PolarHBondContact O-N 3.06Å; E131-S158 VanDerWaalsContact CG-OG 3.25Å; E131-S158 WeakPolarHBondContact CG-OG 3.4Å; E131-K160 VanDerWaalsContact CD-CD 3.43Å; E131-K160 HydrophobicContact CG-CB 4.35Å; E131-K160 HydrophobicContact CG-CD 4.23Å; E131-K160 WeakPolarHBondContact OE1-CB 3.27Å; E131-K160 VanDerWaalsContact OE2-CD 3.27Å; E131-K160 WeakPolarHBondContact OE2-CD 3.47Å; E131-K160 IonicContact OE2-NZ 2.81Å; E131-K160 PolarHBondContact OE2-NZ 2.92Å
132	S	94.8	Very high	97.5	Very high	39 Å²	39	46.6 Å²	46.6	27%	0.273	25%	0.248	S	C	.	.			trans	-150.4	132.3	179.8	174.1	0	0	0	0	110.4	E134 L135 K136	S132-E134 PolarHBondContact O-N 3.04Å; S132-E134 PolarHBondContact OG-N 2.89Å; S132-E134 VanDerWaalsContact OG-N 3.17Å; S132-L135 PolarHBondContact O-N 3.4Å; S132-L135 VanDerWaalsContact O-N 3.16Å; S132-K136 PolarHBondContact O-N 3.42Å
133	E	94.7	Very high	97.5	Very high	136 Å²	136	46.5 Å²	46.5	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.4	173.1	-70.2	-62.6	138.5	0	0	112.2	K136	E133-K136 IonicContact OE1-NZ 3.38Å; E133-K136 PolarHBondContact OE1-NZ 3.28Å
134	E	95.8	Very high	97.5	Very high	184 Å²	184	48.8 Å²	48.8	86%	0.86	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-28.5	176.9	-60.7	178.8	175.7	0	0	112.8	S132	S132-E134 PolarHBondContact O-N 3.04Å; S132-E134 PolarHBondContact OG-N 2.89Å; S132-E134 VanDerWaalsContact OG-N 3.17Å
135	L	95	Very high	97.5	Very high	101 Å²	101	57 Å²	57	53%	0.529	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.2	178.6	-63.1	179.1	0	0	0	112.2	N98 S132 T137	N98-L135 WeakPolarHBondContact CB-O 3.2Å; N98-L135 VanDerWaalsContact OD1-CB 3.28Å; N98-L135 WeakPolarHBondContact OD1-CB 3.41Å; N98-L135 PolarHBondContact OD1-O 2.94Å; S132-L135 PolarHBondContact O-N 3.4Å; S132-L135 VanDerWaalsContact O-N 3.16Å; L135-T137 PolarHBondContact O-N 2.71Å
136	K	97.8	Very high	97.5	Very high	31 Å²	31	58 Å²	58	14%	0.135	30%	0.296	C	S	.	.			trans	-68.5	116.6	-174.2	-168.5	174.7	-165.6	157.6	0	110.7	V97 N98 N130 S132 E133 V138 T140 E156	V97-K136 HydrophobicContact CB-CG 4.23Å; V97-K136 HydrophobicContact CG2-CG 4.26Å; N98-K136 PolarHBondContact OD1-N 3.48Å; N130-K136 WeakPolarHBondContact OD1-CE 3.31Å; N130-K136 PolarHBondContact OD1-NZ 2.62Å; S132-K136 PolarHBondContact O-N 3.42Å; E133-K136 IonicContact OE1-NZ 3.38Å; E133-K136 PolarHBondContact OE1-NZ 3.28Å; K136-V138 WeakPolarHBondContact CG-O 3.43Å; K136-T140 WeakPolarHBondContact CE-OG1 3.26Å; K136-T140 PolarHBondContact NZ-OG1 3.45Å; K136-E156 WeakPolarHBondContact CE-OE1 3.27Å; K136-E156 VanDerWaalsContact NZ-CD 3.35Å; K136-E156 IonicContact NZ-OE1 3.34Å; K136-E156 PolarHBondContact NZ-OE1 3.25Å; K136-E156 IonicContact NZ-OE2 3.48Å; K136-E156 PolarHBondContact NZ-OE2 3.33Å
137	T	97.7	Very high	97.5	Very high	76 Å²	76	58.1 Å²	58.1	47%	0.466	30%	0.297	S	S	.	.			trans	-104.7	-13.9	179.8	60.7	0	0	0	0	112.9	V97 N98 D99 V100 L135	V97-T137 PolarHBondContact O-N 3.46Å; V97-T137 PolarHBondContact O-OG1 2.9Å; N98-T137 WeakPolarHBondContact O-CG2 3.38Å; N98-T137 PolarHBondContact O-OG1 3.25Å; D99-T137 PolarHBondContact N-OG1 3.14Å; V100-T137 WeakPolarHBondContact CG2-OG1 3.27Å; L135-T137 PolarHBondContact O-N 2.71Å
138	V	97.9	Very high	97.5	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.042	33%	0.326	C	S	.	.	S	Bend	trans	-105.6	118.2	176.7	-178.2	0	0	0	0	109.6	Y95 V97 V100 F103 K136 T140 A143	Y95-V138 HydrophobicContact CE2-CB 4.04Å; Y95-V138 HydrophobicContact CE2-CG1 3.83Å; Y95-V138 HydrophobicContact CE2-CG2 4.17Å; V97-V138 PolarHBondContact O-N 2.89Å; V100-V138 HydrophobicContact CG2-CG2 4.21Å; F103-V138 HydrophobicContact CB-CG1 4.15Å; F103-V138 HydrophobicContact CB-CG2 3.66Å; F103-V138 HydrophobicContact CD1-CG1 3.82Å; F103-V138 HydrophobicContact CD1-CG2 4.42Å; F103-V138 HydrophobicContact CD2-CG1 3.74Å; F103-V138 HydrophobicContact CE1-CG1 4.12Å; F103-V138 HydrophobicContact CE2-CG1 4.05Å; F103-V138 HydrophobicContact CG-CG1 3.62Å; F103-V138 HydrophobicContact CG-CG2 4.05Å; F103-V138 HydrophobicContact CZ-CG1 4.22Å; K136-V138 WeakPolarHBondContact CG-O 3.43Å; V138-T140 PolarHBondContact O-N 3.29Å; V138-A143 HydrophobicContact CG1-CB 4.42Å
139	A	97.8	Very high	97.4	Very high	46 Å²	46	68.3 Å²	68.3	38%	0.38	36%	0.355	S	S	.	.			trans	-66.4	130.1	176.6	0	0	0	0	0	111.1	C141 D142 A143	A139-C141 PolarHBondContact O-N 3.16Å; A139-C141 VanDerWaalsContact O-N 3.17Å; A139-D142 HydrophobicContact CB-CB 4.48Å; A139-D142 PolarHBondContact O-N 3.26Å; A139-A143 PolarHBondContact O-N 2.92Å
140	T	98.4	Very high	97.4	Very high	42 Å²	42	67.5 Å²	67.5	26%	0.258	35%	0.353	S	S	.	.	H	α-helix	trans	-55.4	-36.4	178.9	-57.4	0	0	0	0	112.4	K136 V138 D142 A143 Q144 F154 E156	K136-T140 WeakPolarHBondContact CE-OG1 3.26Å; K136-T140 PolarHBondContact NZ-OG1 3.45Å; V138-T140 PolarHBondContact O-N 3.29Å; T140-D142 VanDerWaalsContact C-N 3.35Å; T140-D142 PolarHBondContact O-N 3.37Å; T140-A143 PolarHBondContact O-N 3.41Å; T140-Q144 HydrophobicContact CG2-CG 4.35Å; T140-Q144 WeakPolarHBondContact O-CB 3.46Å; T140-Q144 VanDerWaalsContact O-CG 3.26Å; T140-Q144 WeakPolarHBondContact O-CG 3.4Å; T140-Q144 PolarHBondContact O-N 2.91Å; T140-F154 HydrophobicContact CG2-CE1 3.81Å; T140-F154 HydrophobicContact CG2-CZ 4.08Å; T140-E156 WeakPolarHBondContact CB-OE1 3.27Å; T140-E156 WeakPolarHBondContact CG2-OE1 3.49Å; T140-E156 VanDerWaalsContact OG1-CD 3.31Å; T140-E156 PolarHBondContact OG1-OE1 2.96Å; T140-E156 PolarHBondContact OG1-OE2 3.47Å
141	C	98.2	Very high	97.3	Very high	62 Å²	62	71.2 Å²	71.2	42%	0.419	38%	0.38	S	S	.	.	H	α-helix	trans	-65.5	-35.8	178.8	62.4	0	0	0	0	112.8	A139 R145	A139-C141 PolarHBondContact O-N 3.16Å; A139-C141 VanDerWaalsContact O-N 3.17Å; C141-R145 VanDerWaalsContact O-CG 3.26Å; C141-R145 WeakPolarHBondContact O-CG 3.04Å; C141-R145 PolarHBondContact O-N 2.8Å
142	D	98.3	Very high	97.4	Very high	75 Å²	75	69.1 Å²	69.1	40%	0.401	37%	0.371	S	S	.	.	H	α-helix	trans	-71.8	-39	176.7	-71.1	-29.1	0	0	0	110.8	F103 A139 T140 R145 L146	F103-D142 HydrophobicContact CZ-CB 4.43Å; A139-D142 HydrophobicContact CB-CB 4.48Å; A139-D142 PolarHBondContact O-N 3.26Å; T140-D142 VanDerWaalsContact C-N 3.35Å; T140-D142 PolarHBondContact O-N 3.37Å; D142-R145 PolarHBondContact O-N 2.79Å; D142-R145 IonicContact OD1-NH1 3.61Å; D142-L146 WeakPolarHBondContact O-CB 3.41Å; D142-L146 PolarHBondContact O-N 3Å
143	A	98.5	Very high	97.6	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-65.6	-40.5	174.4	0	0	0	0	0	112.8	Y95 F103 V138 A139 T140 L146 A147 F154	Y95-A143 HydrophobicContact CE1-CB 4.39Å; Y95-A143 WeakPolarHBondContact OH-CB 3.47Å; F103-A143 HydrophobicContact CE2-CB 3.75Å; F103-A143 HydrophobicContact CZ-CB 4.29Å; V138-A143 HydrophobicContact CG1-CB 4.42Å; A139-A143 PolarHBondContact O-N 2.92Å; T140-A143 PolarHBondContact O-N 3.41Å; A143-L146 PolarHBondContact O-N 2.81Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 2.84Å; A143-F154 HydrophobicContact CB-CD2 4.38Å; A143-F154 HydrophobicContact CB-CE2 3.48Å; A143-F154 VanDerWaalsContact CB-CE2 3.48Å; A143-F154 HydrophobicContact CB-CZ 3.77Å
144	Q	98.6	Very high	97.8	Very high	102 Å²	102	66.2 Å²	66.2	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-45.1	172.4	-75.9	172.9	-15.9	0	0	112.1	T140 L146 A147 A148 F154	T140-Q144 HydrophobicContact CG2-CG 4.35Å; T140-Q144 WeakPolarHBondContact O-CB 3.46Å; T140-Q144 VanDerWaalsContact O-CG 3.26Å; T140-Q144 WeakPolarHBondContact O-CG 3.4Å; T140-Q144 PolarHBondContact O-N 2.91Å; Q144-L146 VanDerWaalsContact C-N 3.32Å; Q144-L146 PolarHBondContact O-N 3.3Å; Q144-A147 PolarHBondContact O-N 2.88Å; Q144-A148 WeakPolarHBondContact O-CB 3.27Å; Q144-A148 PolarHBondContact O-N 3.08Å; Q144-F154 HydrophobicContact CB-CD1 4.48Å; Q144-F154 HydrophobicContact CG-CD1 3.37Å; Q144-F154 HydrophobicContact CG-CE1 3.45Å; Q144-F154 VanDerWaalsContact CG-CE1 3.45Å; Q144-F154 HydrophobicContact CG-CG 4.1Å; Q144-F154 HydrophobicContact CG-CZ 4.24Å
145	R	98.5	Very high	97.9	Very high	173 Å²	173	58.4 Å²	58.4	65%	0.653	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-43	175.5	-75	171	-175.5	176.1	0.1	111.3	C141 D142 A148 K149	C141-R145 VanDerWaalsContact O-CG 3.26Å; C141-R145 WeakPolarHBondContact O-CG 3.04Å; C141-R145 PolarHBondContact O-N 2.8Å; D142-R145 PolarHBondContact O-N 2.79Å; D142-R145 IonicContact OD1-NH1 3.61Å; R145-A148 PolarHBondContact O-N 2.7Å; R145-K149 VanDerWaalsContact O-CB 3.31Å; R145-K149 WeakPolarHBondContact O-CB 3.43Å; R145-K149 PolarHBondContact O-N 3.47Å
146	L	98.3	Very high	98.1	Very high	22 Å²	22	54.6 Å²	54.6	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-41.6	178.4	-172.7	64.9	0	0	0	112	F103 V106 E107 D142 A143 Q144 K149 N150	F103-L146 HydrophobicContact CD2-CD2 4.25Å; F103-L146 HydrophobicContact CE1-CD2 4.45Å; F103-L146 HydrophobicContact CE2-CB 4.27Å; F103-L146 HydrophobicContact CE2-CD2 3.5Å; F103-L146 HydrophobicContact CZ-CB 4.06Å; F103-L146 HydrophobicContact CZ-CD2 3.63Å; F103-L146 HydrophobicContact CZ-CG 4.47Å; V106-L146 HydrophobicContact CB-CD2 3.87Å; V106-L146 HydrophobicContact CG1-CD2 3.67Å; V106-L146 HydrophobicContact CG1-CG 4.46Å; E107-L146 HydrophobicContact CG-CD1 3.72Å; D142-L146 WeakPolarHBondContact O-CB 3.41Å; D142-L146 PolarHBondContact O-N 3Å; A143-L146 PolarHBondContact O-N 2.81Å; Q144-L146 VanDerWaalsContact C-N 3.32Å; Q144-L146 PolarHBondContact O-N 3.3Å; L146-K149 HydrophobicContact CD1-CD 4.48Å; L146-N150 PolarHBondContact O-N 2.87Å; L146-N150 PolarHBondContact O-ND2 3.13Å
147	A	98.5	Very high	98.1	Very high	3 Å²	3	53.1 Å²	53.1	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-48.3	175.5	0	0	0	0	0	111.4	L125 A143 Q144 K149 N150 S151 C152 F154	L125-A147 HydrophobicContact CB-CB 4.09Å; L125-A147 HydrophobicContact CD2-CB 4Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 2.84Å; Q144-A147 PolarHBondContact O-N 2.88Å; A147-K149 PolarHBondContact O-N 3.35Å; A147-N150 CarbonylContact O-C 3.48Å; A147-N150 PolarHBondContact O-N 3.14Å; A147-N150 VanDerWaalsContact O-N 3.12Å; A147-S151 PolarHBondContact O-N 3.34Å; A147-S151 VanDerWaalsContact O-N 3.08Å; A147-C152 CarbonylContact C-O 3.55Å; A147-C152 HydrophobicContact CB-CB 4.21Å; A147-C152 PolarHBondContact O-N 3.13Å; A147-F154 HydrophobicContact CB-CB 3.76Å; A147-F154 HydrophobicContact CB-CD2 4.26Å; A147-F154 HydrophobicContact CB-CG 4.34Å
148	A	98.2	Very high	98.2	Very high	74 Å²	74	49.5 Å²	49.5	61%	0.612	27%	0.27	S	S	*	.	H	α-helix	trans	-60	-46.4	177.7	0	0	0	0	0	112	Q144 R145 N150 S151	Q144-A148 WeakPolarHBondContact O-CB 3.27Å; Q144-A148 PolarHBondContact O-N 3.08Å; R145-A148 PolarHBondContact O-N 2.7Å; A148-N150 PolarHBondContact O-N 3.18Å; A148-N150 VanDerWaalsContact O-N 3.16Å; A148-S151 PolarHBondContact O-N 2.89Å; A148-S151 VanDerWaalsContact O-N 3.14Å
149	K	97.9	Very high	98.1	Very high	144 Å²	144	49.3 Å²	49.3	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-53.1	-36	175.3	178.9	-172.6	173.9	-167.6	0	112.3	E107 R145 L146 A147	E107-K149 IonicContact OE1-NZ 2.7Å; E107-K149 PolarHBondContact OE1-NZ 3.39Å; R145-K149 VanDerWaalsContact O-CB 3.31Å; R145-K149 WeakPolarHBondContact O-CB 3.43Å; R145-K149 PolarHBondContact O-N 3.47Å; L146-K149 HydrophobicContact CD1-CD 4.48Å; A147-K149 PolarHBondContact O-N 3.35Å
150	N	96.3	Very high	98.1	Very high	23 Å²	23	51.4 Å²	51.4	12%	0.123	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	9.6	-175.1	-70.2	-71.4	0	0	0	114.2	V110 L146 A147 A148 C152	V110-N150 HydrophobicContact CG1-CB 3.95Å; V110-N150 WeakPolarHBondContact CG1-OD1 3.23Å; V110-N150 HydrophobicContact CG2-CB 4.29Å; L146-N150 PolarHBondContact O-N 2.87Å; L146-N150 PolarHBondContact O-ND2 3.13Å; A147-N150 CarbonylContact O-C 3.48Å; A147-N150 PolarHBondContact O-N 3.14Å; A147-N150 VanDerWaalsContact O-N 3.12Å; A148-N150 PolarHBondContact O-N 3.18Å; A148-N150 VanDerWaalsContact O-N 3.16Å; N150-C152 PolarHBondContact O-N 2.8Å
151	S	96.3	Very high	98	Very high	96 Å²	96	53.8 Å²	53.8	67%	0.671	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	44.1	-175.6	-55.3	0	0	0	0	112.4	A147 A148	A147-S151 PolarHBondContact O-N 3.34Å; A147-S151 VanDerWaalsContact O-N 3.08Å; A148-S151 PolarHBondContact O-N 2.89Å; A148-S151 VanDerWaalsContact O-N 3.14Å
152	C	97.9	Very high	98	Very high	15 Å²	15	54.1 Å²	54.1	10%	0.101	28%	0.278	C	S	.	.			trans	-105	143	171.6	-62.7	0	0	0	0	109.2	R123 L125 A147 N150	R123-C152 HydrophobicContact CB-CB 4.32Å; R123-C152 WeakPolarHBondContact O-CA 3.3Å; L125-C152 HydrophobicContact CB-CB 4.34Å; A147-C152 CarbonylContact C-O 3.55Å; A147-C152 HydrophobicContact CB-CB 4.21Å; A147-C152 PolarHBondContact O-N 3.13Å; N150-C152 PolarHBondContact O-N 2.8Å
153	L	98.5	Very high	98	Very high	64 Å²	64	54.3 Å²	54.3	34%	0.335	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	162.7	158.6	-58.5	171.7	0	0	0	109	R123 I124 L125 I171 E175	R123-L153 PolarHBondContact O-N 2.78Å; I124-L153 CarbonylContact C-O 3.59Å; I124-L153 WeakPolarHBondContact CA-O 3.48Å; I124-L153 HydrophobicContact CB-CB 4Å; I124-L153 HydrophobicContact CD1-CB 4.06Å; I124-L153 HydrophobicContact CG1-CB 3.82Å; L125-L153 PolarHBondContact N-O 2.88Å; L153-I171 HydrophobicContact CD1-CG2 3.66Å; L153-E175 HydrophobicContact CD1-CB 3.86Å; L153-E175 HydrophobicContact CD1-CG 3.99Å
154	F	98.7	Very high	98	Very high	51 Å²	51	57.3 Å²	57.3	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.2	-179.8	176.7	-102.7	0	0	0	111.5	Y95 L125 T140 A143 Q144 A147 E156	Y95-F154 HydrophobicContact CE1-CE2 4.47Å; L125-F154 HydrophobicContact CB-CD2 4.26Å; L125-F154 HydrophobicContact CD2-CD2 4.2Å; L125-F154 HydrophobicContact CG-CD2 4.2Å; L125-F154 WeakPolarHBondContact O-CA 3.35Å; T140-F154 HydrophobicContact CG2-CE1 3.81Å; T140-F154 HydrophobicContact CG2-CZ 4.08Å; A143-F154 HydrophobicContact CB-CD2 4.38Å; A143-F154 HydrophobicContact CB-CE2 3.48Å; A143-F154 VanDerWaalsContact CB-CE2 3.48Å; A143-F154 HydrophobicContact CB-CZ 3.77Å; Q144-F154 HydrophobicContact CB-CD1 4.48Å; Q144-F154 HydrophobicContact CG-CD1 3.37Å; Q144-F154 HydrophobicContact CG-CE1 3.45Å; Q144-F154 VanDerWaalsContact CG-CE1 3.45Å; Q144-F154 HydrophobicContact CG-CG 4.1Å; Q144-F154 HydrophobicContact CG-CZ 4.24Å; A147-F154 HydrophobicContact CB-CB 3.76Å; A147-F154 HydrophobicContact CB-CD2 4.26Å; A147-F154 HydrophobicContact CB-CG 4.34Å; F154-E156 HydrophobicContact CE1-CG 4.11Å; F154-E156 HydrophobicContact CE2-CG 4.37Å; F154-E156 HydrophobicContact CZ-CG 3.58Å
155	I	98.8	Very high	98	Very high	19 Å²	19	52.5 Å²	52.5	10%	0.097	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	148.2	170.7	-168.5	160.9	0	0	0	110.3	I124 L125 V126 G127 T157 N164 Q167 M168 I171	I124-I155 HydrophobicContact CD1-CB 4.42Å; I124-I155 HydrophobicContact CD1-CG2 3.63Å; I124-I155 HydrophobicContact CG1-CG2 4.16Å; L125-I155 PolarHBondContact O-N 3.05Å; L125-I155 VanDerWaalsContact O-N 3.14Å; V126-I155 VanDerWaalsContact CA-O 3.32Å; V126-I155 WeakPolarHBondContact CA-O 3.06Å; V126-I155 HydrophobicContact CG2-CG2 4.07Å; G127-I155 PolarHBondContact N-O 3.3Å; I155-T157 HydrophobicContact CG2-CG2 4.27Å; I155-N164 HydrophobicContact CD1-CB 3.9Å; I155-N164 HydrophobicContact CG1-CB 4.15Å; I155-Q167 HydrophobicContact CD1-CB 4.3Å; I155-Q167 HydrophobicContact CD1-CG 3.92Å; I155-M168 HydrophobicContact CD1-CB 4.32Å; I155-M168 HydrophobicContact CG2-CB 3.78Å; I155-M168 HydrophobicContact CG2-CG 3.55Å; I155-I171 HydrophobicContact CD1-CD1 3.87Å
156	E	98.7	Very high	97.9	Very high	22 Å²	22	48.6 Å²	48.6	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.1	168.5	-68.6	177.6	167.8	0	0	109.8	V97 G127 N130 K136 T140 F154 N164	V97-E156 HydrophobicContact CG1-CG 4.49Å; G127-E156 CarbonylContact O-C 3.49Å; G127-E156 WeakPolarHBondContact O-CA 3.44Å; N130-E156 HydrophobicContact CB-CB 4.25Å; K136-E156 WeakPolarHBondContact CE-OE1 3.27Å; K136-E156 VanDerWaalsContact NZ-CD 3.35Å; K136-E156 IonicContact NZ-OE1 3.34Å; K136-E156 PolarHBondContact NZ-OE1 3.25Å; K136-E156 IonicContact NZ-OE2 3.48Å; K136-E156 PolarHBondContact NZ-OE2 3.33Å; T140-E156 WeakPolarHBondContact CB-OE1 3.27Å; T140-E156 WeakPolarHBondContact CG2-OE1 3.49Å; T140-E156 VanDerWaalsContact OG1-CD 3.31Å; T140-E156 PolarHBondContact OG1-OE1 2.96Å; T140-E156 PolarHBondContact OG1-OE2 3.47Å; F154-E156 HydrophobicContact CE1-CG 4.11Å; F154-E156 HydrophobicContact CE2-CG 4.37Å; F154-E156 HydrophobicContact CZ-CG 3.58Å; E156-N164 VanDerWaalsContact O-CB 3.27Å; E156-N164 WeakPolarHBondContact O-CB 3.4Å; E156-N164 PolarHBondContact O-ND2 3.04Å
157	T	98.8	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.			trans	-140.1	159.3	-170.8	57.3	0	0	0	0	110.8	V126 G127 N128 K129 N130 I155 E163 N164 M168	V126-T157 HydrophobicContact CG1-CG2 3.83Å; V126-T157 VanDerWaalsContact CG1-OG1 3.26Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.4Å; G127-T157 PolarHBondContact O-N 3.34Å; G127-T157 PolarHBondContact O-OG1 2.93Å; N128-T157 CarbonylContact C-O 3.5Å; N128-T157 WeakPolarHBondContact CA-O 3.49Å; N128-T157 PolarHBondContact OD1-O 3.33Å; N128-T157 PolarHBondContact OD1-OG1 2.83Å; K129-T157 PolarHBondContact N-O 3.06Å; K129-T157 VanDerWaalsContact N-O 3.09Å; N130-T157 WeakPolarHBondContact CB-O 3.21Å; N130-T157 PolarHBondContact N-O 3.37Å; I155-T157 HydrophobicContact CG2-CG2 4.27Å; T157-E163 VanDerWaalsContact CA-O 3.27Å; T157-E163 WeakPolarHBondContact CA-O 3.5Å; T157-E163 WeakPolarHBondContact CB-O 3.32Å; T157-N164 HydrophobicContact CG2-CB 3.97Å; T157-M168 HydrophobicContact CG2-CB 3.9Å; T157-M168 HydrophobicContact CG2-CG 4.25Å
158	S	98.3	Very high	98	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-135.1	104	165.8	177.2	0	0	0	0	108.9	E131 K160 N161 D162 E163	E131-S158 VanDerWaalsContact CG-OG 3.25Å; E131-S158 WeakPolarHBondContact CG-OG 3.4Å; S158-K160 PolarHBondContact O-N 3.26Å; S158-N161 PolarHBondContact O-N 3.14Å; S158-N161 WeakPolarHBondContact OG-CB 3.41Å; S158-N161 PolarHBondContact OG-N 3.26Å; S158-D162 WeakPolarHBondContact O-CA 3.25Å; S158-D162 PolarHBondContact O-N 3.5Å; S158-E163 PolarHBondContact N-O 2.95Å; S158-E163 PolarHBondContact O-N 3.42Å
159	A	97.4	Very high	98	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	172.7	0	0	0	0	0	112.3	L31 R34 F40 N128	L31-A159 HydrophobicContact CD2-CB 3.97Å; L31-A159 HydrophobicContact CG-CB 4.21Å; R34-A159 PolarHBondContact NE-O 3.42Å; R34-A159 VanDerWaalsContact NE-O 3.16Å; F40-A159 HydrophobicContact CD2-CB 4.3Å; F40-A159 HydrophobicContact CE2-CB 4.32Å; N128-A159 PolarHBondContact OD1-N 2.96Å
160	K	96.5	Very high	98	Very high	91 Å²	91	45.8 Å²	45.8	40%	0.396	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-49.9	179.3	-173.7	-179.4	-172.8	177.3	0	112	F40 E131 S158 D162	F40-K160 HydrophobicContact CD1-CG 4.19Å; F40-K160 HydrophobicContact CD2-CB 4.24Å; F40-K160 HydrophobicContact CE1-CB 4.06Å; F40-K160 HydrophobicContact CE1-CD 4.35Å; F40-K160 HydrophobicContact CE1-CG 3.7Å; F40-K160 HydrophobicContact CE2-CB 3.75Å; F40-K160 HydrophobicContact CE2-CG 4.33Å; F40-K160 HydrophobicContact CZ-CB 3.66Å; F40-K160 HydrophobicContact CZ-CD 4.31Å; F40-K160 HydrophobicContact CZ-CG 3.78Å; E131-K160 VanDerWaalsContact CD-CD 3.43Å; E131-K160 HydrophobicContact CG-CB 4.35Å; E131-K160 HydrophobicContact CG-CD 4.23Å; E131-K160 WeakPolarHBondContact OE1-CB 3.27Å; E131-K160 VanDerWaalsContact OE2-CD 3.27Å; E131-K160 WeakPolarHBondContact OE2-CD 3.47Å; E131-K160 IonicContact OE2-NZ 2.81Å; E131-K160 PolarHBondContact OE2-NZ 2.92Å; S158-K160 PolarHBondContact O-N 3.26Å; K160-D162 VanDerWaalsContact C-N 3.32Å
161	N	97.1	Very high	98.1	Very high	91 Å²	91	46.2 Å²	46.2	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.5	-177	-60.6	-14	0	0	0	113.2	S158 E163	S158-N161 PolarHBondContact O-N 3.14Å; S158-N161 WeakPolarHBondContact OG-CB 3.41Å; S158-N161 PolarHBondContact OG-N 3.26Å; N161-E163 PolarHBondContact O-N 3.41Å
162	D	97.4	Very high	98.2	Very high	70 Å²	70	41.7 Å²	41.7	37%	0.374	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	40.4	-170.4	-169	33.1	0	0	0	113.5	R34 S158 K160	R34-D162 VanDerWaalsContact CD-OD1 3.31Å; R34-D162 WeakPolarHBondContact CD-OD1 3.26Å; R34-D162 WeakPolarHBondContact CG-OD1 3.35Å; S158-D162 WeakPolarHBondContact O-CA 3.25Å; S158-D162 PolarHBondContact O-N 3.5Å; K160-D162 VanDerWaalsContact C-N 3.32Å
163	E	98.3	Very high	98.2	Very high	79 Å²	79	41 Å²	41	37%	0.369	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-93.9	123.9	179.9	-165	-175.6	160.6	0	0	110.4	T157 S158 N161 V165	T157-E163 VanDerWaalsContact CA-O 3.27Å; T157-E163 WeakPolarHBondContact CA-O 3.5Å; T157-E163 WeakPolarHBondContact CB-O 3.32Å; S158-E163 PolarHBondContact N-O 2.95Å; S158-E163 PolarHBondContact O-N 3.42Å; N161-E163 PolarHBondContact O-N 3.41Å; E163-V165 PolarHBondContact O-N 2.75Å
164	N	98.5	Very high	98.2	Very high	63 Å²	63	44 Å²	44	34%	0.337	21%	0.206	S	C	.	.	S	Bend	trans	58.8	10.1	174.6	-65.3	-36.6	0	0	0	115.8	I155 E156 T157 Q167 M168	I155-N164 HydrophobicContact CD1-CB 3.9Å; I155-N164 HydrophobicContact CG1-CB 4.15Å; E156-N164 VanDerWaalsContact O-CB 3.27Å; E156-N164 WeakPolarHBondContact O-CB 3.4Å; E156-N164 PolarHBondContact O-ND2 3.04Å; T157-N164 HydrophobicContact CG2-CB 3.97Å; N164-Q167 PolarHBondContact O-N 3.12Å; N164-M168 VanDerWaalsContact O-CB 3.27Å; N164-M168 WeakPolarHBondContact O-CB 3.46Å; N164-M168 PolarHBondContact O-N 3.09Å
165	V	98.5	Very high	98.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-54.1	-176.7	-178.3	0	0	0	0	111.2	L31 R34 E163 Q167 M168 F169	L31-V165 HydrophobicContact CD2-CG1 4.19Å; L31-V165 HydrophobicContact CD2-CG2 3.83Å; R34-V165 HydrophobicContact CB-CG1 4.29Å; R34-V165 HydrophobicContact CG-CB 4.09Å; R34-V165 HydrophobicContact CG-CG1 3.93Å; R34-V165 HydrophobicContact CG-CG2 3.95Å; E163-V165 PolarHBondContact O-N 2.75Å; V165-Q167 VanDerWaalsContact C-N 3.27Å; V165-Q167 PolarHBondContact O-N 3.47Å; V165-M168 PolarHBondContact O-N 2.83Å; V165-F169 HydrophobicContact CG1-CD2 4.21Å; V165-F169 HydrophobicContact CG1-CE2 4.21Å; V165-F169 WeakPolarHBondContact O-CD2 3.27Å; V165-F169 PolarHBondContact O-N 2.89Å; V165-F169 VanDerWaalsContact O-N 3.16Å
166	D	97.8	Very high	98.2	Very high	91 Å²	91	42.8 Å²	42.8	49%	0.487	20%	0.201	S	C	.	.	H	α-helix	trans	-59	-41	175.2	-85.2	-31.2	0	0	0	111.9	Y35 M168 F169 Y170	Y35-D166 WeakPolarHBondContact CD2-OD1 3.26Å; Y35-D166 WeakPolarHBondContact CE2-OD1 3.29Å; D166-M168 PolarHBondContact O-N 3.04Å; D166-F169 PolarHBondContact O-N 3.46Å; D166-Y170 WeakPolarHBondContact O-CB 3.25Å; D166-Y170 PolarHBondContact O-N 2.93Å
167	Q	98.5	Very high	98.1	Very high	96 Å²	96	42.1 Å²	42.1	45%	0.449	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-41.1	179.6	-176.7	65.7	-6.3	0	0	111.8	I155 N164 V165 Y170 I171	I155-Q167 HydrophobicContact CD1-CB 4.3Å; I155-Q167 HydrophobicContact CD1-CG 3.92Å; N164-Q167 PolarHBondContact O-N 3.12Å; V165-Q167 VanDerWaalsContact C-N 3.27Å; V165-Q167 PolarHBondContact O-N 3.47Å; Q167-Y170 PolarHBondContact O-N 3.16Å; Q167-I171 HydrophobicContact CG-CD1 3.83Å; Q167-I171 HydrophobicContact CG-CG1 4.44Å; Q167-I171 WeakPolarHBondContact O-CB 3.39Å; Q167-I171 WeakPolarHBondContact O-CD1 3.3Å; Q167-I171 WeakPolarHBondContact O-CG1 3.5Å; Q167-I171 PolarHBondContact O-N 2.96Å
168	M	98.6	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-50	175.5	179	-78.9	-68	0	0	110.7	I92 I124 V126 I155 T157 N164 V165 D166 Y170 I171 I172	I92-M168 HydrophobicContact CD1-CE 4.4Å; I92-M168 HydrophobicContact CD1-SD 3.91Å; I92-M168 HydrophobicContact CG1-SD 4.24Å; I92-M168 HydrophobicContact CG2-CE 4.44Å; I92-M168 HydrophobicContact CG2-SD 3.97Å; I124-M168 HydrophobicContact CD1-CG 4.23Å; V126-M168 HydrophobicContact CG1-CG 4.28Å; V126-M168 HydrophobicContact CG2-CG 3.58Å; V126-M168 HydrophobicContact CG2-SD 4.03Å; I155-M168 HydrophobicContact CD1-CB 4.32Å; I155-M168 HydrophobicContact CG2-CB 3.78Å; I155-M168 HydrophobicContact CG2-CG 3.55Å; T157-M168 HydrophobicContact CG2-CB 3.9Å; T157-M168 HydrophobicContact CG2-CG 4.25Å; N164-M168 VanDerWaalsContact O-CB 3.27Å; N164-M168 WeakPolarHBondContact O-CB 3.46Å; N164-M168 PolarHBondContact O-N 3.09Å; V165-M168 PolarHBondContact O-N 2.83Å; D166-M168 PolarHBondContact O-N 3.04Å; M168-Y170 PolarHBondContact O-N 2.87Å; M168-I171 PolarHBondContact O-N 2.85Å; M168-I172 WeakPolarHBondContact O-CG2 3.22Å; M168-I172 PolarHBondContact O-N 3.34Å; M168-I172 VanDerWaalsContact O-N 3.15Å; M168-I172 HydrophobicContact SD-CG2 4.48Å
169	F	98.5	Very high	98	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-38.1	177.9	-82.8	-73.3	0	0	0	112.4	L18 Y35 L66 I68 I92 V165 D166 I172 T173	L18-F169 HydrophobicContact CD1-CD1 4.08Å; L18-F169 HydrophobicContact CD1-CE1 4.39Å; Y35-F169 VanDerWaalsContact CB-CE2 3.4Å; Y35-F169 HydrophobicContact CD1-CB 4.31Å; Y35-F169 AromaticContact CD1-CD1 3.93Å; Y35-F169 HydrophobicContact CD1-CD1 3.93Å; Y35-F169 AromaticContact CD1-CD2 3.52Å; Y35-F169 HydrophobicContact CD1-CD2 3.52Å; Y35-F169 HydrophobicContact CD1-CE1 4.09Å; Y35-F169 AromaticContact CD1-CE2 3.68Å; Y35-F169 HydrophobicContact CD1-CE2 3.68Å; Y35-F169 AromaticContact CD1-CG 3.65Å; Y35-F169 HydrophobicContact CD1-CG 3.65Å; Y35-F169 AromaticContact CD1-CZ 3.96Å; Y35-F169 HydrophobicContact CD1-CZ 3.96Å; Y35-F169 HydrophobicContact CD2-CB 4.08Å; Y35-F169 AromaticContact CD2-CD2 3.51Å; Y35-F169 HydrophobicContact CD2-CD2 3.51Å; Y35-F169 HydrophobicContact CD2-CE2 4.2Å; Y35-F169 AromaticContact CD2-CG 3.97Å; Y35-F169 HydrophobicContact CD2-CG 3.97Å; Y35-F169 HydrophobicContact CE1-CB 3.86Å; Y35-F169 AromaticContact CE1-CD1 3.83Å; Y35-F169 HydrophobicContact CE1-CD1 3.83Å; Y35-F169 AromaticContact CE1-CD2 3.97Å; Y35-F169 HydrophobicContact CE1-CD2 3.97Å; Y35-F169 HydrophobicContact CE1-CE1 4.37Å; Y35-F169 HydrophobicContact CE1-CE2 4.48Å; Y35-F169 AromaticContact CE1-CG 3.61Å; Y35-F169 HydrophobicContact CE1-CG 3.61Å; Y35-F169 HydrophobicContact CE2-CB 3.62Å; Y35-F169 AromaticContact CE2-CD2 3.98Å; Y35-F169 HydrophobicContact CE2-CD2 3.98Å; Y35-F169 AromaticContact CE2-CG 3.96Å; Y35-F169 HydrophobicContact CE2-CG 3.96Å; Y35-F169 HydrophobicContact CG-CB 4.4Å; Y35-F169 AromaticContact CG-CD2 3.26Å; Y35-F169 HydrophobicContact CG-CD2 3.26Å; Y35-F169 AromaticContact CG-CE2 3.51Å; Y35-F169 HydrophobicContact CG-CE2 3.51Å; Y35-F169 AromaticContact CG-CG 3.82Å; Y35-F169 HydrophobicContact CG-CG 3.82Å; Y35-F169 HydrophobicContact CG-CZ 4.24Å; Y35-F169 VanDerWaalsContact CZ-CB 3.48Å; Y35-F169 AromaticContact CZ-CG 3.76Å; L66-F169 HydrophobicContact CD2-CD1 4.42Å; I68-F169 HydrophobicContact CD1-CD1 4.18Å; I68-F169 HydrophobicContact CD1-CE1 3.73Å; I68-F169 HydrophobicContact CD1-CZ 4.35Å; I68-F169 HydrophobicContact CG1-CE1 4.48Å; I68-F169 HydrophobicContact CG2-CE1 4.2Å; I92-F169 HydrophobicContact CD1-CD1 4.11Å; I92-F169 HydrophobicContact CD1-CE1 3.66Å; I92-F169 HydrophobicContact CD1-CZ 4.34Å; V165-F169 HydrophobicContact CG1-CD2 4.21Å; V165-F169 HydrophobicContact CG1-CE2 4.21Å; V165-F169 WeakPolarHBondContact O-CD2 3.27Å; V165-F169 PolarHBondContact O-N 2.89Å; V165-F169 VanDerWaalsContact O-N 3.16Å; D166-F169 PolarHBondContact O-N 3.46Å; F169-I172 WeakPolarHBondContact O-CG2 3.34Å; F169-T173 WeakPolarHBondContact O-CB 3.42Å; F169-T173 PolarHBondContact O-N 2.92Å; F169-T173 PolarHBondContact O-OG1 3.22Å
170	Y	98.3	Very high	97.8	Very high	87 Å²	87	54.5 Å²	54.5	34%	0.341	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-48	175.1	175.3	-106	0	0	0	112	I59 D166 Q167 M168 I172 T173 R174	I59-Y170 HydrophobicContact CD1-CD2 3.56Å; I59-Y170 HydrophobicContact CD1-CE2 3.68Å; D166-Y170 WeakPolarHBondContact O-CB 3.25Å; D166-Y170 PolarHBondContact O-N 2.93Å; Q167-Y170 PolarHBondContact O-N 3.16Å; M168-Y170 PolarHBondContact O-N 2.87Å; Y170-I172 PolarHBondContact O-N 2.95Å; Y170-T173 PolarHBondContact O-N 2.96Å; Y170-R174 VanDerWaalsContact O-CB 3.26Å; Y170-R174 WeakPolarHBondContact O-CB 3.49Å; Y170-R174 PolarHBondContact O-N 2.71Å
171	I	98.5	Very high	97.7	Very high	33 Å²	33	54 Å²	54	17%	0.169	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-51.1	-179.2	-74.5	166.8	0	0	0	111	I124 L153 I155 Q167 M168 R174 E175	I124-I171 HydrophobicContact CD1-CB 4.44Å; I124-I171 HydrophobicContact CD1-CG2 3.91Å; L153-I171 HydrophobicContact CD1-CG2 3.66Å; I155-I171 HydrophobicContact CD1-CD1 3.87Å; Q167-I171 HydrophobicContact CG-CD1 3.83Å; Q167-I171 HydrophobicContact CG-CG1 4.44Å; Q167-I171 WeakPolarHBondContact O-CB 3.39Å; Q167-I171 WeakPolarHBondContact O-CD1 3.3Å; Q167-I171 WeakPolarHBondContact O-CG1 3.5Å; Q167-I171 PolarHBondContact O-N 2.96Å; M168-I171 PolarHBondContact O-N 2.85Å; I171-R174 PolarHBondContact O-N 2.78Å; I171-E175 PolarHBondContact O-N 3.42Å
172	I	98.6	Very high	97.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.8	-38.2	-178.1	-171.3	59.1	0	0	0	111.9	L18 I92 A122 I124 M168 F169 Y170 E175 A176	L18-I172 HydrophobicContact CD1-CG2 3.88Å; L18-I172 HydrophobicContact CD2-CG1 4.2Å; I92-I172 HydrophobicContact CD1-CG2 4.19Å; I92-I172 HydrophobicContact CG1-CG1 4.26Å; I92-I172 HydrophobicContact CG1-CG2 4.24Å; A122-I172 HydrophobicContact CB-CD1 3.58Å; I124-I172 HydrophobicContact CB-CB 4.48Å; I124-I172 HydrophobicContact CB-CD1 4.06Å; I124-I172 HydrophobicContact CG2-CB 3.89Å; I124-I172 HydrophobicContact CG2-CD1 3.85Å; I124-I172 HydrophobicContact CG2-CG1 3.86Å; M168-I172 WeakPolarHBondContact O-CG2 3.22Å; M168-I172 PolarHBondContact O-N 3.34Å; M168-I172 VanDerWaalsContact O-N 3.15Å; M168-I172 HydrophobicContact SD-CG2 4.48Å; F169-I172 WeakPolarHBondContact O-CG2 3.34Å; Y170-I172 PolarHBondContact O-N 2.95Å; I172-E175 PolarHBondContact O-N 3.28Å; I172-A176 VanDerWaalsContact O-CB 3.27Å; I172-A176 WeakPolarHBondContact O-CB 3.5Å; I172-A176 PolarHBondContact O-N 3.16Å
173	T	98.4	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-43.4	178.2	-58.2	0	0	0	0	111	L16 V57 I59 V64 L66 F169 Y170 E175 A176 L177	L16-T173 HydrophobicContact CD1-CG2 4.09Å; V57-T173 HydrophobicContact CG2-CG2 4.26Å; I59-T173 HydrophobicContact CD1-CG2 3.96Å; I59-T173 HydrophobicContact CG1-CG2 3.89Å; V64-T173 HydrophobicContact CG1-CG2 3.96Å; L66-T173 HydrophobicContact CD1-CG2 3.99Å; F169-T173 WeakPolarHBondContact O-CB 3.42Å; F169-T173 PolarHBondContact O-N 2.92Å; F169-T173 PolarHBondContact O-OG1 3.22Å; Y170-T173 PolarHBondContact O-N 2.96Å; T173-E175 PolarHBondContact O-N 2.97Å; T173-A176 PolarHBondContact O-N 2.69Å; T173-L177 WeakPolarHBondContact O-CB 3.36Å; T173-L177 PolarHBondContact O-N 3.12Å
174	R	98.2	Very high	96.9	Very high	127 Å²	127	49.5 Å²	49.5	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-43.9	176.5	-173.6	-176.6	71	-177.2	0	111.6	I59 Y170 I171 L177 R178	I59-R174 HydrophobicContact CG2-CB 4.15Å; I59-R174 HydrophobicContact CG2-CG 4.04Å; Y170-R174 VanDerWaalsContact O-CB 3.26Å; Y170-R174 WeakPolarHBondContact O-CB 3.49Å; Y170-R174 PolarHBondContact O-N 2.71Å; I171-R174 PolarHBondContact O-N 2.78Å; R174-L177 PolarHBondContact O-N 2.74Å; R174-R178 WeakPolarHBondContact O-CB 3.26Å; R174-R178 PolarHBondContact O-N 3.3Å
175	E	98.4	Very high	96.5	Very high	44 Å²	44	51.3 Å²	51.3	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-43.7	178.6	-179.6	60.6	-171.4	0	0	112.2	A122 L153 I171 I172 T173 L177 R178 L179	A122-E175 HydrophobicContact CB-CB 4.14Å; A122-E175 HydrophobicContact CB-CG 3.71Å; L153-E175 HydrophobicContact CD1-CB 3.86Å; L153-E175 HydrophobicContact CD1-CG 3.99Å; I171-E175 PolarHBondContact O-N 3.42Å; I172-E175 PolarHBondContact O-N 3.28Å; T173-E175 PolarHBondContact O-N 2.97Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 2.76Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 3.19Å; E175-R178 IonicContact OE1-CZ 3.94Å; E175-R178 IonicContact OE1-NE 4Å; E175-R178 PolarHBondContact OE1-NE 2.7Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.01Å; E175-R178 IonicContact OE2-CZ 2.71Å; E175-R178 IonicContact OE2-NE 3.49Å; E175-R178 PolarHBondContact OE2-NE 3.48Å; E175-R178 IonicContact OE2-NH2 2.68Å; E175-L179 HydrophobicContact CG-CD1 4.24Å; E175-L179 WeakPolarHBondContact O-CG 3.44Å; E175-L179 PolarHBondContact O-N 2.83Å
176	A	98.2	Very high	96.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-42.4	175.3	0	0	0	0	0	111.7	L16 H89 A122 I172 T173 R180	L16-A176 HydrophobicContact CD1-CB 4.14Å; H89-A176 HydrophobicContact CB-CB 4.15Å; H89-A176 WeakPolarHBondContact O-CB 3.43Å; A122-A176 HydrophobicContact CB-CB 4.03Å; I172-A176 VanDerWaalsContact O-CB 3.27Å; I172-A176 WeakPolarHBondContact O-CB 3.5Å; I172-A176 PolarHBondContact O-N 3.16Å; T173-A176 PolarHBondContact O-N 2.69Å; A176-R180 WeakPolarHBondContact O-CB 3.31Å; A176-R180 PolarHBondContact O-N 2.92Å
177	L	97.5	Very high	95.6	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-47.8	174.9	-178.6	59.7	0	0	0	111.3	I14 L16 I59 T62 V64 T173 R174 E175 L179 R180 L181	I14-L177 HydrophobicContact CD1-CD1 3.87Å; I14-L177 HydrophobicContact CG2-CD1 4.02Å; L16-L177 HydrophobicContact CD1-CB 3.93Å; I59-L177 HydrophobicContact CB-CD2 3.91Å; I59-L177 HydrophobicContact CG2-CD2 3.87Å; T62-L177 HydrophobicContact CG2-CD1 4.29Å; T62-L177 HydrophobicContact CG2-CD2 3.99Å; V64-L177 HydrophobicContact CG2-CD2 4.12Å; T173-L177 WeakPolarHBondContact O-CB 3.36Å; T173-L177 PolarHBondContact O-N 3.12Å; R174-L177 PolarHBondContact O-N 2.74Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 2.76Å; L177-L179 PolarHBondContact O-N 3.36Å; L177-R180 PolarHBondContact O-N 3.13Å; L177-L181 HydrophobicContact CD1-CD1 4.04Å; L177-L181 HydrophobicContact CD1-CD2 4.48Å; L177-L181 HydrophobicContact CD1-CG 4.04Å; L177-L181 HydrophobicContact CG-CD1 3.97Å; L177-L181 HydrophobicContact CG-CG 4.37Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.9Å
178	R	97.5	Very high	95	Very high	115 Å²	115	60.1 Å²	60.1	43%	0.434	28%	0.277	S	S	.	.	H	α-helix	trans	-57.6	-48.2	179	-171.9	-168.2	71.7	80.9	2.7	111.5	R174 E175 L181 N182	R174-R178 WeakPolarHBondContact O-CB 3.26Å; R174-R178 PolarHBondContact O-N 3.3Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 3.19Å; E175-R178 IonicContact OE1-CZ 3.94Å; E175-R178 IonicContact OE1-NE 4Å; E175-R178 PolarHBondContact OE1-NE 2.7Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.01Å; E175-R178 IonicContact OE2-CZ 2.71Å; E175-R178 IonicContact OE2-NE 3.49Å; E175-R178 PolarHBondContact OE2-NE 3.48Å; E175-R178 IonicContact OE2-NH2 2.68Å; R178-L181 PolarHBondContact O-N 2.69Å; R178-N182 PolarHBondContact NH1-ND2 3Å; R178-N182 WeakPolarHBondContact O-CB 3.42Å; R178-N182 PolarHBondContact O-N 3.28Å; R178-N182 PolarHBondContact O-ND2 3.33Å
179	L	96.7	Very high	94.5	Very high	42 Å²	42	64.6 Å²	64.6	22%	0.22	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-42	178.2	-69.4	174.1	0	0	0	111.7	G120 A122 E175 L177 N182 A183	G120-L179 WeakPolarHBondContact O-CD1 3.14Å; A122-L179 HydrophobicContact CB-CD1 3.89Å; E175-L179 HydrophobicContact CG-CD1 4.24Å; E175-L179 WeakPolarHBondContact O-CG 3.44Å; E175-L179 PolarHBondContact O-N 2.83Å; L177-L179 PolarHBondContact O-N 3.36Å; L179-N182 PolarHBondContact O-N 3.45Å; L179-A183 PolarHBondContact O-N 3.35Å
180	R	94.5	Very high	93.7	Very high	106 Å²	106	67.3 Å²	67.3	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-46.8	177.9	-178.4	60.9	177.7	119.9	1.1	112.3	L16 A176 L177 A183 V184	L16-R180 HydrophobicContact CD2-CB 4.42Å; A176-R180 WeakPolarHBondContact O-CB 3.31Å; A176-R180 PolarHBondContact O-N 2.92Å; L177-R180 PolarHBondContact O-N 3.13Å; R180-A183 PolarHBondContact O-N 3.47Å; R180-V184 VanDerWaalsContact NH1-CG2 3.26Å; R180-V184 WeakPolarHBondContact O-CG2 3.17Å; R180-V184 PolarHBondContact O-N 3.36Å; R180-V184 VanDerWaalsContact O-N 3.14Å
181	L	93.4	Very high	92.6	Very high	80 Å²	80	70.1 Å²	70.1	42%	0.419	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-43.1	179	-67.8	176	0	0	0	111.6	I14 L177 R178 A183 V184 Q185	I14-L181 HydrophobicContact CD1-CD2 4.21Å; L177-L181 HydrophobicContact CD1-CD1 4.04Å; L177-L181 HydrophobicContact CD1-CD2 4.48Å; L177-L181 HydrophobicContact CD1-CG 4.04Å; L177-L181 HydrophobicContact CG-CD1 3.97Å; L177-L181 HydrophobicContact CG-CG 4.37Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.9Å; R178-L181 PolarHBondContact O-N 2.69Å; L181-A183 VanDerWaalsContact C-N 3.3Å; L181-A183 PolarHBondContact O-N 3.34Å; L181-V184 PolarHBondContact O-N 2.88Å; L181-Q185 PolarHBondContact O-N 3.13Å
182	N	94.7	Very high	91.3	Very high	59 Å²	59	75.8 Å²	75.8	32%	0.316	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-38.8	175.8	-70.6	-14.7	0	0	0	112.4	R178 L179 Q185 K186	R178-N182 PolarHBondContact NH1-ND2 3Å; R178-N182 WeakPolarHBondContact O-CB 3.42Å; R178-N182 PolarHBondContact O-N 3.28Å; R178-N182 PolarHBondContact O-ND2 3.33Å; L179-N182 PolarHBondContact O-N 3.45Å; N182-Q185 PolarHBondContact O-N 2.97Å; N182-K186 WeakPolarHBondContact O-CG 3.35Å; N182-K186 PolarHBondContact O-N 3.07Å
183	A	91.9	Very high	89.6	Confident	40 Å²	40	81.5 Å²	81.5	33%	0.331	40%	0.397	S	S	.	.	H	α-helix	trans	-65.5	-40.2	176.7	0	0	0	0	0	112	L179 R180 L181 Q187	L179-A183 PolarHBondContact O-N 3.35Å; R180-A183 PolarHBondContact O-N 3.47Å; L181-A183 VanDerWaalsContact C-N 3.3Å; L181-A183 PolarHBondContact O-N 3.34Å; A183-Q187 VanDerWaalsContact O-CG 3.29Å; A183-Q187 WeakPolarHBondContact O-CG 3.46Å; A183-Q187 PolarHBondContact O-N 3.03Å
184	V	89.5	Confident	87.8	Confident	46 Å²	46	87.3 Å²	87.3	28%	0.279	43%	0.433	S	S	.	.	H	α-helix	trans	-63.7	-45.2	175.4	173.4	0	0	0	0	110.9	R180 L181 K186 Q187 Q188	R180-V184 VanDerWaalsContact NH1-CG2 3.26Å; R180-V184 WeakPolarHBondContact O-CG2 3.17Å; R180-V184 PolarHBondContact O-N 3.36Å; R180-V184 VanDerWaalsContact O-N 3.14Å; L181-V184 PolarHBondContact O-N 2.88Å; V184-K186 PolarHBondContact O-N 2.98Å; V184-Q187 PolarHBondContact O-N 2.89Å; V184-Q188 WeakPolarHBondContact O-CG 3.21Å; V184-Q188 PolarHBondContact O-N 3.27Å; V184-Q188 VanDerWaalsContact O-N 3.08Å
185	Q	90.5	Very high	85.8	Confident	102 Å²	102	86.5 Å²	86.5	48%	0.477	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-47.3	179.4	-177.2	177.4	-10.4	0	0	111.9	L181 N182 Q187 Q188 E189	L181-Q185 PolarHBondContact O-N 3.13Å; N182-Q185 PolarHBondContact O-N 2.97Å; Q185-Q187 PolarHBondContact O-N 3.5Å; Q185-Q188 PolarHBondContact O-N 2.92Å; Q185-Q188 VanDerWaalsContact O-N 3.08Å; Q185-E189 HydrophobicContact CG-CG 4.5Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.26Å; Q185-E189 PolarHBondContact NE2-OE1 3.04Å; Q185-E189 WeakPolarHBondContact O-CG 3.45Å; Q185-E189 PolarHBondContact O-N 3.1Å
186	K	90.7	Very high	83.6	Confident	148 Å²	148	92.3 Å²	92.3	64%	0.643	47%	0.469	S	S	*	.	H	α-helix	trans	-58.4	-36.7	176.7	-73.8	178	179.2	-175.2	0	112.8	N182 V184 A190	N182-K186 WeakPolarHBondContact O-CG 3.35Å; N182-K186 PolarHBondContact O-N 3.07Å; V184-K186 PolarHBondContact O-N 2.98Å; K186-A190 WeakPolarHBondContact O-CB 3.46Å; K186-A190 PolarHBondContact O-N 3.45Å; K186-A190 VanDerWaalsContact O-N 3.08Å
187	Q	87.1	Confident	81.5	Confident	114 Å²	114	100.5 Å²	100.5	53%	0.533	51%	0.511	S	S	.	.	H	α-helix	trans	-68.3	-37.9	176.8	-72.8	172.9	-1.3	0	0	112.1	A183 V184 Q185 Q191	A183-Q187 VanDerWaalsContact O-CG 3.29Å; A183-Q187 WeakPolarHBondContact O-CG 3.46Å; A183-Q187 PolarHBondContact O-N 3.03Å; V184-Q187 PolarHBondContact O-N 2.89Å; Q185-Q187 PolarHBondContact O-N 3.5Å; Q187-Q191 VanDerWaalsContact O-CG 3.3Å; Q187-Q191 WeakPolarHBondContact O-CG 3.46Å; Q187-Q191 PolarHBondContact O-N 3.23Å
188	Q	86.2	Confident	79.4	Confident	110 Å²	110	105.3 Å²	105.3	51%	0.514	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-43.6	177.1	-69.3	174.5	-3.4	0	0	112	V184 Q185 Q191 Q192	V184-Q188 WeakPolarHBondContact O-CG 3.21Å; V184-Q188 PolarHBondContact O-N 3.27Å; V184-Q188 VanDerWaalsContact O-N 3.08Å; Q185-Q188 PolarHBondContact O-N 2.92Å; Q185-Q188 VanDerWaalsContact O-N 3.08Å; Q188-Q191 PolarHBondContact O-N 2.86Å; Q188-Q192 PolarHBondContact O-N 2.87Å; Q188-Q192 VanDerWaalsContact O-N 3.12Å
189	E	86.5	Confident	77.2	Confident	94 Å²	94	105.3 Å²	105.3	44%	0.439	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-41	177.3	-69.5	171.1	-175.8	0	0	111.9	Q185 Q191 Q192 T193	Q185-E189 HydrophobicContact CG-CG 4.5Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.26Å; Q185-E189 PolarHBondContact NE2-OE1 3.04Å; Q185-E189 WeakPolarHBondContact O-CG 3.45Å; Q185-E189 PolarHBondContact O-N 3.1Å; E189-Q191 VanDerWaalsContact C-N 3.32Å; E189-Q191 PolarHBondContact O-N 3.38Å; E189-Q192 PolarHBondContact O-N 3.36Å; E189-T193 PolarHBondContact O-N 3.38Å; E189-T193 PolarHBondContact O-OG1 3.01Å
190	A	82.1	Confident	75	Confident	58 Å²	58	110.3 Å²	110.3	48%	0.479	58%	0.581	S	S	.	*	H	α-helix	trans	-62.4	-38.3	175.6	0	0	0	0	0	112.1	K186 T193 V194	K186-A190 WeakPolarHBondContact O-CB 3.46Å; K186-A190 PolarHBondContact O-N 3.45Å; K186-A190 VanDerWaalsContact O-N 3.08Å; A190-T193 PolarHBondContact O-N 3.17Å; A190-V194 WeakPolarHBondContact O-CG2 3.38Å
191	Q	76.4	Confident	73	Confident	145 Å²	145	111.2 Å²	111.2	68%	0.678	60%	0.604	S	S	*	*	H	α-helix	trans	-69.9	-35.5	177.8	-72.9	172.9	15	0	0	112.9	Q187 Q188 E189 T193 V194	Q187-Q191 VanDerWaalsContact O-CG 3.3Å; Q187-Q191 WeakPolarHBondContact O-CG 3.46Å; Q187-Q191 PolarHBondContact O-N 3.23Å; Q188-Q191 PolarHBondContact O-N 2.86Å; E189-Q191 VanDerWaalsContact C-N 3.32Å; E189-Q191 PolarHBondContact O-N 3.38Å; Q191-T193 VanDerWaalsContact C-N 3.29Å; Q191-T193 PolarHBondContact O-N 3.43Å; Q191-V194 PolarHBondContact O-N 3.31Å
192	Q	70.2	Confident	70.7	Confident	153 Å²	153	109.9 Å²	109.9	72%	0.715	61%	0.61	S	S	*	*	H	α-helix	trans	-67.2	-30.4	175.6	-72.3	178.4	-3.9	0	0	112.5	Q188 E189	Q188-Q192 PolarHBondContact O-N 2.87Å; Q188-Q192 VanDerWaalsContact O-N 3.12Å; E189-Q192 PolarHBondContact O-N 3.36Å
193	T	63.4	Low	68.4	Low	120 Å²	120	114.6 Å²	114.6	74%	0.736	63%	0.634	S	S	*	*	H	α-helix	trans	-78.7	-18.8	-178.1	-47.7	0	0	0	0	113.3	E189 A190 Q191 V195	E189-T193 PolarHBondContact O-N 3.38Å; E189-T193 PolarHBondContact O-OG1 3.01Å; A190-T193 PolarHBondContact O-N 3.17Å; Q191-T193 VanDerWaalsContact C-N 3.29Å; Q191-T193 PolarHBondContact O-N 3.43Å; T193-V195 PolarHBondContact O-N 3.26Å
194	V	60.6	Low	66	Low	122 Å²	122	122 Å²	122	74%	0.739	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	6.4	-179.4	178.4	0	0	0	0	112.9	A190 Q191 Q196	A190-V194 WeakPolarHBondContact O-CG2 3.38Å; Q191-V194 PolarHBondContact O-N 3.31Å; V194-Q196 PolarHBondContact O-N 3.16Å
195	V	56.4	Low	63.9	Low	110 Å²	110	125.5 Å²	125.5	67%	0.667	69%	0.685	S	S	*	*			trans	-81.9	113.8	175.4	-175.6	0	0	0	0	110.4	T193	T193-V195 PolarHBondContact O-N 3.26Å
196	Q	52.2	Low	61.6	Low	166 Å²	166	130 Å²	130	78%	0.776	70%	0.703	S	S	*	*			trans	88.6	71.8	172.3	-65.5	176.5	13.5	0	0	118.3	V194 T198	V194-Q196 PolarHBondContact O-N 3.16Å; Q196-T198 PolarHBondContact O-N 3.28Å
197	L	53.6	Low	59.1	Low	173 Å²	173	130.9 Å²	130.9	91%	0.906	71%	0.71	S	S	*	*			trans	-81.4	92.7	134	-68.5	172.4	0	0	0	107.6
198	T	53.9	Low	56.9	Low	109 Å²	109	135 Å²	135	67%	0.669	73%	0.726	S	S	*	*			trans	-57.3	126.2	162.6	30.7	0	0	0	0	108	Q196 I200	Q196-T198 PolarHBondContact O-N 3.28Å; T198-I200 PolarHBondContact O-N 2.93Å
199	P	50.5	Low	54.8	Low	115 Å²	115	138 Å²	138	75%	0.747	75%	0.745	S	S	*	*			trans	-57.7	129.5	172	22.1	-29.2	0	0	0	107.8	S201	P199-S201 PolarHBondContact O-N 3.42Å
200	I	51.5	Low	52.7	Low	146 Å²	146	142.6 Å²	142.6	75%	0.749	76%	0.763	S	S	*	*			trans	-61.8	92.2	170	-60.8	170.5	0	0	0	106.4	T198 G202 L203	T198-I200 PolarHBondContact O-N 2.93Å; I200-G202 PolarHBondContact O-N 3.02Å; I200-L203 HydrophobicContact CG2-CD1 4.46Å
201	S	51.3	Low	50.9	Low	125 Å²	125	146 Å²	146	87%	0.874	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	77.9	167.2	56.8	0	0	0	0	107.3	P199	P199-S201 PolarHBondContact O-N 3.42Å
202	G	45.1	Very low	49.3	Very low	53 Å²	53	144.7 Å²	144.7	55%	0.546	79%	0.787	S	S	.	*	T	Hydrogen-bonded Turn	trans	-167.5	-26.4	-173.8	0	0	0	0	0	116.3	I200 K204	I200-G202 PolarHBondContact O-N 3.02Å; G202-K204 VanDerWaalsContact C-N 3.35Å; G202-K204 PolarHBondContact O-N 3.17Å
203	L	47.3	Very low	48.1	Very low	158 Å²	158	147.6 Å²	147.6	83%	0.827	80%	0.798	S	S	*	*			trans	-82.8	89.2	171	-90.6	81	0	0	0	109.6	I200 S205	I200-L203 HydrophobicContact CG2-CD1 4.46Å; L203-S205 PolarHBondContact O-N 3.26Å
204	K	41	Very low	47.7	Very low	196 Å²	196	149.1 Å²	149.1	85%	0.852	84%	0.837	S	S	*	*			trans	-43.3	108.6	160.7	-72	179	177.8	177.3	0	108.6	G202 K206	G202-K204 VanDerWaalsContact C-N 3.35Å; G202-K204 PolarHBondContact O-N 3.17Å; K204-K206 PolarHBondContact O-N 3.17Å
205	S	45.3	Very low	47.1	Very low	118 Å²	118	150.5 Å²	150.5	83%	0.825	84%	0.842	S	S	*	*			trans	-56.9	99.6	166.5	54.5	0	0	0	0	108.5	L203 Q207	L203-S205 PolarHBondContact O-N 3.26Å; S205-Q207 PolarHBondContact O-N 2.8Å
206	K	41.9	Very low	46.6	Very low	196 Å²	196	152.6 Å²	152.6	85%	0.852	85%	0.851	S	S	*	*			trans	-68.5	101.1	166.9	-94.7	-175.8	173.4	-179.5	0	108.1	K204	K204-K206 PolarHBondContact O-N 3.17Å
207	Q	39.5	Very low	46.3	Very low	167 Å²	167	151.8 Å²	151.8	78%	0.78	86%	0.855	S	S	*	*			trans	50.9	108.4	138.5	-66.7	178.2	-13.9	0	0	118.8	S205	S205-Q207 PolarHBondContact O-N 2.8Å
208	K	40	Very low	45.8	Very low	201 Å²	201	150.6 Å²	150.6	87%	0.874	85%	0.852	S	S	*	*			trans	11	109	134.2	-81.3	177.3	169	172	0	115.8
209	L	42.7	Very low	45.3	Very low	174 Å²	174	153.2 Å²	153.2	91%	0.911	86%	0.864	S	S	*	*			trans	-101.8	115.5	143.8	-85.6	95.6	0	0	0	109
210	K	41.6	Very low	45	Very low	189 Å²	189	155.7 Å²	155.7	82%	0.822	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-68.4	126.2	166.7	-77.2	175.9	171.3	-179.7	0	108.1
211	C	43.7	Very low	44.5	Very low	131 Å²	131	156.4 Å²	156.4	89%	0.885	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-93.4	116.1	166	-145.5	0	0	0	0	108
212	C	44.6	Very low	44	Very low	116 Å²	116	158.8 Å²	158.8	78%	0.784	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-75.5	135.6	-178.2	-66.8	0	0	0	0	110.8
213	K	44.6	Very low	43.9	Very low	215 Å²	215	167.7 Å²	167.7	94%	0.935	91%	0.909	S	S	*	*	P	Polyproline II helix	trans	-75.7	124.6	161.7	-70.5	-177	174.1	-176	0	108.1
214	G	54.8	Low	43.6	Very low	151 Å²	151	168.5 Å²	168.5	100%	1.557	92%	0.916	S	S	*	*			trans	-107.6	0	155.2	0	0	0	0	0	107.5

Retrieved 214 of 214 residues in 488.7 ms (Link to these results)

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