A0A023T1Z1_SHEEP Loading...

Calcium and integrin binding family member 4

AlphaFold DB (C7A278), UniProt , Accession A0A023T1Z1, Species SHEEP (Ovis aries, Sheep), Gene CIB4, Length 185 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	57.7	Low	240 Å²	240	119.5 Å²	119.5	100%	1.182	60%	0.595	S	S	*	*				0	86.3	0	-63.5	170.3	-167.1	0	0	107
2	G	43.6	Very low	60.3	Low	77 Å²	77	119.4 Å²	119.4	79%	0.794	59%	0.592	S	S	*	*			trans	-93.3	110.7	-172.1	0	0	0	0	0	110.3	C4	G2-C4 PolarHBondContact O-N 2.73Å
3	Q	41.1	Very low	62.7	Low	142 Å²	142	111.5 Å²	111.5	66%	0.664	55%	0.553	S	S	*	*			trans	-61.7	128.4	158.4	-69.7	176	-3.4	0	0	107.1	L5	Q3-L5 VanDerWaalsContact C-N 3.31Å; Q3-L5 PolarHBondContact O-N 3.28Å
4	C	38.8	Very low	64.8	Low	75 Å²	75	103.8 Å²	103.8	51%	0.507	52%	0.515	S	S	.	.			trans	-72.6	96.9	164.3	-162.5	0	0	0	0	106.1	G2 R6 Y7	G2-C4 PolarHBondContact O-N 2.73Å; C4-R6 PolarHBondContact O-N 3.5Å; C4-Y7 HydrophobicContact CB-CD2 4.4Å; C4-Y7 CarbonylContact O-C 3.47Å; C4-Y7 PolarHBondContact O-N 3.05Å
5	L	42.9	Very low	66.7	Low	165 Å²	165	103.7 Å²	103.7	86%	0.864	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-11.8	-177.1	-72.9	162.2	0	0	0	114.2	Q3	Q3-L5 VanDerWaalsContact C-N 3.31Å; Q3-L5 PolarHBondContact O-N 3.28Å
6	R	50.4	Low	68.5	Low	198 Å²	198	103.8 Å²	103.8	75%	0.747	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.9	176.1	-162.1	174	-174.4	-179.3	0.2	113.7	C4	C4-R6 PolarHBondContact O-N 3.5Å
7	Y	54.3	Low	70.1	Confident	51 Å²	51	98.5 Å²	98.5	20%	0.2	48%	0.484	C	S	.	.			trans	-131.5	109.1	-175.3	-56.8	-69.3	0	0	0	108.4	C4 M9 L29 H32 D33	C4-Y7 HydrophobicContact CB-CD2 4.4Å; C4-Y7 CarbonylContact O-C 3.47Å; C4-Y7 PolarHBondContact O-N 3.05Å; Y7-M9 PolarHBondContact O-N 3.4Å; Y7-L29 HydrophobicContact CD2-CD2 4.44Å; Y7-L29 HydrophobicContact CG-CD2 4.34Å; Y7-H32 AromaticContact CD1-ND1 3.92Å; Y7-D33 HydrophobicContact CE1-CB 3.95Å
8	Q	71.7	Confident	71.4	Confident	123 Å²	123	98.2 Å²	98.2	58%	0.575	48%	0.481	S	S	*	.			trans	-68.6	37.3	175.5	-66.5	179.3	-40.3	0	0	112.9	Y45	Q8-Y45 WeakPolarHBondContact O-CE1 3.45Å
9	M	83.1	Confident	72.6	Confident	17 Å²	17	97.5 Å²	97.5	8%	0.084	49%	0.493	C	S	.	.			trans	-110	126.7	173.1	-177.6	178.9	-75	0	0	108.7	Y7 D13 L14 Y17 I28 H32 Y45 F82	Y7-M9 PolarHBondContact O-N 3.4Å; M9-D13 HydrophobicContact CG-CB 3.93Å; M9-L14 HydrophobicContact CG-CB 4.34Å; M9-L14 HydrophobicContact SD-CB 3.88Å; M9-L14 HydrophobicContact SD-CD1 3.98Å; M9-L14 HydrophobicContact SD-CD2 4.48Å; M9-L14 HydrophobicContact SD-CG 4.34Å; M9-Y17 HydrophobicContact CE-CD2 4.05Å; M9-Y17 HydrophobicContact CE-CE2 3.92Å; M9-Y17 HydrophobicContact SD-CD2 4.21Å; M9-Y17 HydrophobicContact SD-CE2 4.45Å; M9-I28 HydrophobicContact CE-CG2 4.2Å; M9-I28 HydrophobicContact SD-CG2 4.07Å; M9-H32 HydrophobicContact CE-CB 3.99Å; M9-Y45 HydrophobicContact CB-CE1 4.29Å; M9-Y45 HydrophobicContact CE-CE2 4.12Å; M9-Y45 HydrophobicContact CG-CE1 4.48Å; M9-F82 HydrophobicContact CE-CD1 4.47Å; M9-F82 HydrophobicContact CE-CE1 3.38Å; M9-F82 HydrophobicContact CE-CZ 3.43Å; M9-F82 VanDerWaalsContact CE-CZ 3.43Å
10	H	85.6	Confident	73.8	Confident	88 Å²	88	98.8 Å²	98.8	41%	0.407	50%	0.501	S	S	.	.			trans	-71.8	149.4	175.3	-72.6	-81.4	0	0	0	110.2	E12 D13 L14	H10-E12 PolarHBondContact O-N 2.99Å; H10-D13 PolarHBondContact N-OD2 2.8Å; H10-D13 WeakPolarHBondContact O-CB 3.3Å; H10-D13 PolarHBondContact O-N 3.2Å; H10-L14 PolarHBondContact O-N 3.35Å
11	W	85.2	Confident	74.8	Confident	138 Å²	138	95.1 Å²	95.1	52%	0.523	48%	0.484	S	S	.	.	H	α-helix	trans	-58.5	-34.9	176.1	65.7	-63	0	0	0	112.4	L14 E15	W11-L14 PolarHBondContact O-N 2.9Å; W11-E15 WeakPolarHBondContact O-CG 3.22Å; W11-E15 PolarHBondContact O-N 2.9Å
12	E	89	Confident	77.5	Confident	119 Å²	119	87.2 Å²	87.2	56%	0.556	44%	0.443	S	S	*	.	H	α-helix	trans	-61.3	-49.5	173.4	-71.5	159	-147.9	0	0	111.9	H10 L14 E15 E16	H10-E12 PolarHBondContact O-N 2.99Å; E12-L14 VanDerWaalsContact C-N 3.25Å; E12-L14 PolarHBondContact O-N 3.01Å; E12-E15 PolarHBondContact O-N 3.37Å; E12-E16 WeakPolarHBondContact O-CB 3.3Å; E12-E16 PolarHBondContact O-N 3.36Å
13	D	91.4	Very high	79.8	Confident	17 Å²	17	84 Å²	84	9%	0.091	41%	0.407	C	S	.	.	H	α-helix	trans	-56.8	-43.2	174.8	-64.7	-33.4	0	0	0	110.9	M9 H10 E16 Y17 Y45 K46	M9-D13 HydrophobicContact CG-CB 3.93Å; H10-D13 PolarHBondContact N-OD2 2.8Å; H10-D13 WeakPolarHBondContact O-CB 3.3Å; H10-D13 PolarHBondContact O-N 3.2Å; D13-E16 WeakPolarHBondContact O-CB 3.46Å; D13-E16 PolarHBondContact O-N 3.26Å; D13-Y17 HydrophobicContact CB-CD2 4.29Å; D13-Y17 HydrophobicContact CB-CE2 3.9Å; D13-Y17 WeakPolarHBondContact O-CD2 3.36Å; D13-Y17 VanDerWaalsContact O-CG 3.31Å; D13-Y17 PolarHBondContact O-N 3.05Å; D13-Y45 WeakPolarHBondContact CB-OH 3.43Å; D13-Y45 VanDerWaalsContact CG-OH 3.24Å; D13-Y45 PolarHBondContact OD2-OH 3.3Å; D13-K46 IonicContact OD1-NZ 3.74Å; D13-K46 PolarHBondContact OD1-NZ 3.26Å; D13-K46 IonicContact OD2-NZ 2.82Å
14	L	92.3	Very high	82.3	Confident	3 Å²	3	79.6 Å²	79.6	2%	0.016	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-37.5	-177.4	-176.4	48.5	0	0	0	112.6	M9 H10 W11 E12 Q18 R25 I28 L29	M9-L14 HydrophobicContact CG-CB 4.34Å; M9-L14 HydrophobicContact SD-CB 3.88Å; M9-L14 HydrophobicContact SD-CD1 3.98Å; M9-L14 HydrophobicContact SD-CD2 4.48Å; M9-L14 HydrophobicContact SD-CG 4.34Å; H10-L14 PolarHBondContact O-N 3.35Å; W11-L14 PolarHBondContact O-N 2.9Å; E12-L14 VanDerWaalsContact C-N 3.25Å; E12-L14 PolarHBondContact O-N 3.01Å; L14-Q18 VanDerWaalsContact O-CB 3.27Å; L14-Q18 WeakPolarHBondContact O-CB 3.16Å; L14-Q18 PolarHBondContact O-N 2.88Å; L14-R25 HydrophobicContact CD1-CG 4.03Å; L14-R25 HydrophobicContact CD2-CG 3.7Å; L14-R25 HydrophobicContact CG-CG 3.91Å; L14-I28 HydrophobicContact CD1-CB 3.7Å; L14-I28 HydrophobicContact CD1-CD1 4Å; L14-I28 HydrophobicContact CD1-CG1 4.46Å; L14-I28 HydrophobicContact CD1-CG2 3.45Å; L14-I28 VanDerWaalsContact CD1-CG2 3.45Å; L14-L29 HydrophobicContact CD2-CD1 4.23Å; L14-L29 HydrophobicContact CD2-CD2 3.83Å; L14-L29 HydrophobicContact CD2-CG 3.99Å
15	E	93.3	Very high	84.8	Confident	102 Å²	102	81 Å²	81	48%	0.477	39%	0.385	S	S	.	.	H	α-helix	trans	-67	-40.3	172.6	-75	176.7	-173.4	0	0	111.4	W11 E12 Q18 A19	W11-E15 WeakPolarHBondContact O-CG 3.22Å; W11-E15 PolarHBondContact O-N 2.9Å; E12-E15 PolarHBondContact O-N 3.37Å; E15-Q18 PolarHBondContact O-N 3Å; E15-A19 WeakPolarHBondContact O-CB 3.29Å; E15-A19 PolarHBondContact O-N 2.82Å
16	E	94.9	Very high	87.1	Confident	106 Å²	106	78.9 Å²	78.9	50%	0.495	37%	0.374	S	S	.	.	H	α-helix	trans	-61.6	-52.1	174.8	-177.8	177	-166.3	0	0	111.3	E12 D13 Q18 A19 L20	E12-E16 WeakPolarHBondContact O-CB 3.3Å; E12-E16 PolarHBondContact O-N 3.36Å; D13-E16 WeakPolarHBondContact O-CB 3.46Å; D13-E16 PolarHBondContact O-N 3.26Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.21Å; E16-A19 WeakPolarHBondContact O-CB 3.46Å; E16-A19 PolarHBondContact O-N 3.36Å; E16-L20 HydrophobicContact CG-CD1 3.78Å; E16-L20 HydrophobicContact CG-CG 4.44Å; E16-L20 WeakPolarHBondContact O-CG 3.06Å; E16-L20 PolarHBondContact O-N 3.24Å
17	Y	95.8	Very high	89.1	Confident	14 Å²	14	72.3 Å²	72.3	6%	0.055	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-37.1	177.8	-65.8	-49	0	0	0	112.2	M9 D13 A19 L20 T21 I28 Y45 K46 F82 E83 L86	M9-Y17 HydrophobicContact CE-CD2 4.05Å; M9-Y17 HydrophobicContact CE-CE2 3.92Å; M9-Y17 HydrophobicContact SD-CD2 4.21Å; M9-Y17 HydrophobicContact SD-CE2 4.45Å; D13-Y17 HydrophobicContact CB-CD2 4.29Å; D13-Y17 HydrophobicContact CB-CE2 3.9Å; D13-Y17 WeakPolarHBondContact O-CD2 3.36Å; D13-Y17 VanDerWaalsContact O-CG 3.31Å; D13-Y17 PolarHBondContact O-N 3.05Å; Y17-A19 VanDerWaalsContact C-N 3.29Å; Y17-A19 PolarHBondContact O-N 2.95Å; Y17-L20 PolarHBondContact O-N 3.3Å; Y17-T21 WeakPolarHBondContact O-CB 3.43Å; Y17-T21 WeakPolarHBondContact O-CG2 3.43Å; Y17-T21 PolarHBondContact O-N 2.89Å; Y17-T21 PolarHBondContact O-OG1 2.65Å; Y17-I28 HydrophobicContact CD2-CG2 4.49Å; Y17-Y45 HydrophobicContact CE2-CE2 4.16Å; Y17-K46 WeakPolarHBondContact OH-CE 3.27Å; Y17-F82 HydrophobicContact CD2-CE1 4.09Å; Y17-F82 HydrophobicContact CE2-CD1 4.18Å; Y17-F82 AromaticContact CE2-CE1 3.68Å; Y17-F82 HydrophobicContact CE2-CE1 3.68Å; Y17-F82 AromaticContact CZ-CE1 3.96Å; Y17-E83 HydrophobicContact CE1-CG 4.09Å; Y17-E83 PolarHBondContact OH-OE1 3.38Å; Y17-L86 HydrophobicContact CD1-CD1 3.48Å; Y17-L86 VanDerWaalsContact CD1-CD1 3.48Å; Y17-L86 HydrophobicContact CD2-CD1 4.01Å; Y17-L86 HydrophobicContact CE1-CD1 3.9Å; Y17-L86 HydrophobicContact CE2-CD1 4.38Å; Y17-L86 HydrophobicContact CG-CD1 3.56Å
18	Q	94.1	Very high	91	Very high	92 Å²	92	69.9 Å²	69.9	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-32.7	175.2	-173.3	174.3	20.3	0	0	112.2	L14 E15 E16 I28	L14-Q18 VanDerWaalsContact O-CB 3.27Å; L14-Q18 WeakPolarHBondContact O-CB 3.16Å; L14-Q18 PolarHBondContact O-N 2.88Å; E15-Q18 PolarHBondContact O-N 3Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.21Å; Q18-I28 HydrophobicContact CB-CD1 4.03Å
19	A	94.8	Very high	91.9	Very high	86 Å²	86	65.6 Å²	65.6	71%	0.711	32%	0.324	S	S	*	.	H	α-helix	trans	-76.1	-27.8	176.1	0	0	0	0	0	113.1	E15 E16 Y17	E15-A19 WeakPolarHBondContact O-CB 3.29Å; E15-A19 PolarHBondContact O-N 2.82Å; E16-A19 WeakPolarHBondContact O-CB 3.46Å; E16-A19 PolarHBondContact O-N 3.36Å; Y17-A19 VanDerWaalsContact C-N 3.29Å; Y17-A19 PolarHBondContact O-N 2.95Å
20	L	95	Very high	92.3	Very high	123 Å²	123	66.3 Å²	66.3	64%	0.644	33%	0.33	S	S	*	.	H	α-helix	trans	-95.1	-9.8	-176.8	-64.8	176.4	0	0	0	114.2	E16 Y17	E16-L20 HydrophobicContact CG-CD1 3.78Å; E16-L20 HydrophobicContact CG-CG 4.44Å; E16-L20 WeakPolarHBondContact O-CG 3.06Å; E16-L20 PolarHBondContact O-N 3.24Å; Y17-L20 PolarHBondContact O-N 3.3Å
21	T	95.3	Very high	92.6	Very high	22 Å²	22	62.1 Å²	62.1	14%	0.135	31%	0.31	C	S	.	.	S	Bend	trans	-128.7	163.7	-175.7	67.6	0	0	0	0	112.2	Y17 L23 L86 S90	Y17-T21 WeakPolarHBondContact O-CB 3.43Å; Y17-T21 WeakPolarHBondContact O-CG2 3.43Å; Y17-T21 PolarHBondContact O-N 2.89Å; Y17-T21 PolarHBondContact O-OG1 2.65Å; T21-L23 PolarHBondContact O-N 3.19Å; T21-L23 WeakPolarHBondContact OG1-CB 3.27Å; T21-L23 PolarHBondContact OG1-N 2.95Å; T21-L86 HydrophobicContact CG2-CB 4.47Å; T21-S90 WeakPolarHBondContact CA-OG 2.95Å; T21-S90 WeakPolarHBondContact CB-OG 3.25Å
22	F	94.1	Very high	92.9	Very high	73 Å²	73	55.5 Å²	55.5	32%	0.32	29%	0.285	S	S	.	.	S	Bend	trans	-88.1	32.8	172.5	-61	-79.4	0	0	0	112.1	S90 S93 Q95 A96 L100	F22-S90 WeakPolarHBondContact CD2-OG 3.29Å; F22-S90 PolarHBondContact N-OG 3.31Å; F22-S93 PolarHBondContact O-OG 3.01Å; F22-Q95 HydrophobicContact CB-CB 4.13Å; F22-Q95 VanDerWaalsContact CD1-O 3.26Å; F22-Q95 WeakPolarHBondContact CD1-O 3.26Å; F22-A96 HydrophobicContact CB-CB 4.26Å; F22-A96 HydrophobicContact CD2-CB 3.76Å; F22-A96 HydrophobicContact CE2-CB 4.3Å; F22-A96 HydrophobicContact CG-CB 3.99Å; F22-L100 HydrophobicContact CD2-CD2 4.12Å; F22-L100 HydrophobicContact CE2-CD2 3.54Å
23	L	93.8	Very high	92.9	Very high	9 Å²	9	52 Å²	52	5%	0.047	27%	0.27	C	S	.	.			trans	-114.7	141.7	-173.6	-58.5	172	0	0	0	110.8	T21 E27 I28 I31 L86 A89	T21-L23 PolarHBondContact O-N 3.19Å; T21-L23 WeakPolarHBondContact OG1-CB 3.27Å; T21-L23 PolarHBondContact OG1-N 2.95Å; L23-E27 HydrophobicContact CB-CB 4.31Å; L23-E27 HydrophobicContact CD2-CB 4.38Å; L23-I28 HydrophobicContact CB-CD1 4.25Å; L23-I28 HydrophobicContact CB-CG1 3.8Å; L23-I28 HydrophobicContact CD1-CG1 4.28Å; L23-I31 HydrophobicContact CD1-CD1 3.67Å; L23-L86 HydrophobicContact CD1-CD2 3.88Å; L23-A89 HydrophobicContact CD1-CB 4.09Å; L23-A89 HydrophobicContact CD2-CB 4.27Å
24	T	92.9	Very high	92.8	Very high	51 Å²	51	52.5 Å²	52.5	31%	0.313	28%	0.275	S	S	.	.			trans	-73.7	159	170.2	66.8	0	0	0	0	110.9	N26 E27 I28	T24-N26 PolarHBondContact O-N 3.48Å; T24-N26 VanDerWaalsContact O-N 3.15Å; T24-E27 VanDerWaalsContact CB-OE2 3.3Å; T24-E27 WeakPolarHBondContact CB-OE2 3.39Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.36Å; T24-E27 PolarHBondContact N-OE2 3.38Å; T24-E27 PolarHBondContact O-N 2.85Å; T24-E27 VanDerWaalsContact O-N 3.1Å; T24-E27 WeakPolarHBondContact OG1-CG 3.31Å; T24-E27 PolarHBondContact OG1-N 3.48Å; T24-E27 PolarHBondContact OG1-OE2 2.88Å; T24-I28 WeakPolarHBondContact O-CG1 3.4Å; T24-I28 PolarHBondContact O-N 3.28Å
25	R	91.9	Very high	92.8	Very high	105 Å²	105	52.5 Å²	52.5	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-50.1	-40.2	173	-172.5	-176.8	175	89.8	1.3	113	L14 L29	L14-R25 HydrophobicContact CD1-CG 4.03Å; L14-R25 HydrophobicContact CD2-CG 3.7Å; L14-R25 HydrophobicContact CG-CG 3.91Å; R25-L29 HydrophobicContact CG-CD1 4.27Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.47Å; R25-L29 VanDerWaalsContact O-N 3.12Å
26	N	91.2	Very high	92.6	Very high	120 Å²	120	49.9 Å²	49.9	64%	0.642	26%	0.264	S	S	*	.	H	α-helix	trans	-70	-40.8	-178.4	-71.3	-16	0	0	0	111.6	T24 L29 C30	T24-N26 PolarHBondContact O-N 3.48Å; T24-N26 VanDerWaalsContact O-N 3.15Å; N26-L29 PolarHBondContact O-N 2.89Å; N26-C30 VanDerWaalsContact O-CB 3.29Å; N26-C30 WeakPolarHBondContact O-CB 3.44Å; N26-C30 PolarHBondContact O-N 3.29Å
27	E	92.2	Very high	92.3	Very high	59 Å²	59	51.9 Å²	51.9	28%	0.276	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-45.4	176	-71.8	163.6	126.2	0	0	111	L23 T24 L29 C30 I31	L23-E27 HydrophobicContact CB-CB 4.31Å; L23-E27 HydrophobicContact CD2-CB 4.38Å; T24-E27 VanDerWaalsContact CB-OE2 3.3Å; T24-E27 WeakPolarHBondContact CB-OE2 3.39Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.36Å; T24-E27 PolarHBondContact N-OE2 3.38Å; T24-E27 PolarHBondContact O-N 2.85Å; T24-E27 VanDerWaalsContact O-N 3.1Å; T24-E27 WeakPolarHBondContact OG1-CG 3.31Å; T24-E27 PolarHBondContact OG1-N 3.48Å; T24-E27 PolarHBondContact OG1-OE2 2.88Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.49Å; E27-C30 WeakPolarHBondContact O-CB 3.38Å; E27-C30 PolarHBondContact O-N 3.47Å; E27-C30 VanDerWaalsContact O-N 3.15Å; E27-I31 WeakPolarHBondContact O-CD1 3.39Å; E27-I31 WeakPolarHBondContact O-CG1 3.38Å; E27-I31 PolarHBondContact O-N 3.16Å
28	I	93.2	Very high	92	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-45	177.7	-62.8	164.7	0	0	0	111.2	M9 L14 Y17 Q18 L23 T24 C30 I31 H32 F82 L86	M9-I28 HydrophobicContact CE-CG2 4.2Å; M9-I28 HydrophobicContact SD-CG2 4.07Å; L14-I28 HydrophobicContact CD1-CB 3.7Å; L14-I28 HydrophobicContact CD1-CD1 4Å; L14-I28 HydrophobicContact CD1-CG1 4.46Å; L14-I28 HydrophobicContact CD1-CG2 3.45Å; L14-I28 VanDerWaalsContact CD1-CG2 3.45Å; Y17-I28 HydrophobicContact CD2-CG2 4.49Å; Q18-I28 HydrophobicContact CB-CD1 4.03Å; L23-I28 HydrophobicContact CB-CD1 4.25Å; L23-I28 HydrophobicContact CB-CG1 3.8Å; L23-I28 HydrophobicContact CD1-CG1 4.28Å; T24-I28 WeakPolarHBondContact O-CG1 3.4Å; T24-I28 PolarHBondContact O-N 3.28Å; I28-C30 VanDerWaalsContact C-N 3.32Å; I28-C30 PolarHBondContact O-N 3.13Å; I28-I31 PolarHBondContact O-N 3.15Å; I28-H32 WeakPolarHBondContact O-CB 3.43Å; I28-H32 PolarHBondContact O-N 3.33Å; I28-F82 HydrophobicContact CG2-CZ 4.49Å; I28-L86 HydrophobicContact CB-CD2 4.5Å; I28-L86 HydrophobicContact CG1-CD2 4.24Å; I28-L86 HydrophobicContact CG2-CD2 4.17Å
29	L	91.7	Very high	91.7	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-36.9	177.3	-72.4	172.6	0	0	0	112.6	Y7 L14 R25 N26 E27 H32 D33	Y7-L29 HydrophobicContact CD2-CD2 4.44Å; Y7-L29 HydrophobicContact CG-CD2 4.34Å; L14-L29 HydrophobicContact CD2-CD1 4.23Å; L14-L29 HydrophobicContact CD2-CD2 3.83Å; L14-L29 HydrophobicContact CD2-CG 3.99Å; R25-L29 HydrophobicContact CG-CD1 4.27Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.47Å; R25-L29 VanDerWaalsContact O-N 3.12Å; N26-L29 PolarHBondContact O-N 2.89Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.49Å; L29-H32 PolarHBondContact O-N 3.35Å; L29-D33 PolarHBondContact O-N 3.32Å
30	C	91.1	Very high	91	Very high	31 Å²	31	49.4 Å²	49.4	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-38.3	177.6	-164.6	0	0	0	0	111.7	N26 E27 I28 S34 C185	N26-C30 VanDerWaalsContact O-CB 3.29Å; N26-C30 WeakPolarHBondContact O-CB 3.44Å; N26-C30 PolarHBondContact O-N 3.29Å; E27-C30 WeakPolarHBondContact O-CB 3.38Å; E27-C30 PolarHBondContact O-N 3.47Å; E27-C30 VanDerWaalsContact O-N 3.15Å; I28-C30 VanDerWaalsContact C-N 3.32Å; I28-C30 PolarHBondContact O-N 3.13Å; C30-S34 WeakPolarHBondContact O-CB 3.27Å; C30-S34 PolarHBondContact O-N 2.77Å; C30-S34 PolarHBondContact O-OG 3.03Å; C30-C185 HydrophobicContact CB-CB 4.17Å; C30-C185 WeakPolarHBondContact CB-SG 3.32Å; C30-C185 WeakPolarHBondContact SG-CB 3.41Å; C30-C185 CovalentContact SG-SG 2.05Å; C30-C185 PolarHBondContact SG-SG 2.85Å
31	I	91.8	Very high	90.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-48.1	171.4	-67.5	162.4	0	0	0	110.2	L23 E27 I28 D33 S34 F35 F82 V85 L86 A89 W183	L23-I31 HydrophobicContact CD1-CD1 3.67Å; E27-I31 WeakPolarHBondContact O-CD1 3.39Å; E27-I31 WeakPolarHBondContact O-CG1 3.38Å; E27-I31 PolarHBondContact O-N 3.16Å; I28-I31 PolarHBondContact O-N 3.15Å; I31-D33 PolarHBondContact O-N 2.86Å; I31-S34 PolarHBondContact O-N 3.5Å; I31-F35 VanDerWaalsContact O-CB 3.31Å; I31-F35 WeakPolarHBondContact O-CB 3.46Å; I31-F35 PolarHBondContact O-N 3.15Å; I31-F82 HydrophobicContact CG2-CE2 3.88Å; I31-V85 HydrophobicContact CG2-CG1 3.74Å; I31-L86 HydrophobicContact CB-CD2 4.21Å; I31-L86 HydrophobicContact CD1-CD2 3.73Å; I31-L86 HydrophobicContact CG2-CD2 3.95Å; I31-A89 HydrophobicContact CD1-CB 3.67Å; I31-W183 HydrophobicContact CB-CZ2 4.5Å; I31-W183 VanDerWaalsContact CG1-CD1 3.46Å; I31-W183 HydrophobicContact CG1-CD2 3.88Å; I31-W183 HydrophobicContact CG1-CG 3.95Å; I31-W183 HydrophobicContact CG1-CZ2 3.89Å; I31-W183 HydrophobicContact CG2-CZ2 4.21Å
32	H	91.2	Very high	89.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-44.8	179.5	174.8	-93.7	0	0	0	112.4	Y7 M9 I28 L29 S34 F35 L36 Y45 F82	Y7-H32 AromaticContact CD1-ND1 3.92Å; M9-H32 HydrophobicContact CE-CB 3.99Å; I28-H32 WeakPolarHBondContact O-CB 3.43Å; I28-H32 PolarHBondContact O-N 3.33Å; L29-H32 PolarHBondContact O-N 3.35Å; H32-S34 PolarHBondContact O-N 3.29Å; H32-F35 PolarHBondContact O-N 3Å; H32-L36 WeakPolarHBondContact CE1-CD1 3.36Å; H32-L36 WeakPolarHBondContact O-CG 3.45Å; H32-L36 PolarHBondContact O-N 2.96Å; H32-Y45 AromaticContact CD2-CD1 3.86Å; H32-Y45 AromaticContact CD2-CG 3.74Å; H32-Y45 AromaticContact NE2-CD1 3.44Å; H32-Y45 WeakPolarHBondContact NE2-CD1 3.48Å; H32-Y45 AromaticContact NE2-CG 3.71Å; H32-F82 HydrophobicContact CB-CE2 3.82Å; H32-F82 HydrophobicContact CB-CZ 3.88Å
33	D	89.8	Confident	88.6	Confident	45 Å²	45	54.5 Å²	54.5	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-43.6	174.8	-170.1	62.7	0	0	0	112.1	Y7 L29 I31 K37	Y7-D33 HydrophobicContact CE1-CB 3.95Å; L29-D33 PolarHBondContact O-N 3.32Å; I31-D33 PolarHBondContact O-N 2.86Å; D33-K37 WeakPolarHBondContact O-CG 3.22Å; D33-K37 PolarHBondContact O-N 2.87Å; D33-K37 VanDerWaalsContact O-N 3.14Å; D33-K37 WeakPolarHBondContact OD2-CE 3.33Å; D33-K37 IonicContact OD2-NZ 2.72Å; D33-K37 PolarHBondContact OD2-NZ 3.47Å
34	S	88.9	Confident	88.2	Confident	27 Å²	27	57.5 Å²	57.5	19%	0.189	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-42.8	177.9	-60.6	0	0	0	0	112.3	C30 I31 H32 K37 L38 W183	C30-S34 WeakPolarHBondContact O-CB 3.27Å; C30-S34 PolarHBondContact O-N 2.77Å; C30-S34 PolarHBondContact O-OG 3.03Å; I31-S34 PolarHBondContact O-N 3.5Å; H32-S34 PolarHBondContact O-N 3.29Å; S34-K37 PolarHBondContact O-N 3.45Å; S34-L38 PolarHBondContact O-N 3.15Å; S34-W183 VanDerWaalsContact CB-CZ3 3.41Å
35	F	91.1	Very high	88	Confident	3 Å²	3	55 Å²	55	1%	0.013	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-49.7	177.9	-174.7	-94.1	0	0	0	110.8	I31 H32 K37 L38 C39 A48 L50 F82 V85	I31-F35 VanDerWaalsContact O-CB 3.31Å; I31-F35 WeakPolarHBondContact O-CB 3.46Å; I31-F35 PolarHBondContact O-N 3.15Å; H32-F35 PolarHBondContact O-N 3Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 2.97Å; F35-L38 PolarHBondContact O-N 3.39Å; F35-C39 VanDerWaalsContact CE1-SG 3.54Å; F35-C39 PolarHBondContact O-N 2.96Å; F35-C39 VanDerWaalsContact O-N 3.08Å; F35-C39 PolarHBondContact O-SG 3.45Å; F35-A48 HydrophobicContact CE1-CB 3.99Å; F35-L50 HydrophobicContact CD2-CD1 3.49Å; F35-L50 VanDerWaalsContact CD2-CD1 3.49Å; F35-L50 HydrophobicContact CD2-CG 3.94Å; F35-L50 HydrophobicContact CE2-CD1 3.69Å; F35-L50 HydrophobicContact CE2-CG 3.64Å; F35-L50 HydrophobicContact CG-CD1 4.32Å; F35-L50 HydrophobicContact CZ-CG 4.23Å; F35-F82 HydrophobicContact CB-CD2 4.09Å; F35-F82 HydrophobicContact CB-CE2 4.45Å; F35-F82 HydrophobicContact CD1-CB 4.4Å; F35-F82 HydrophobicContact CD1-CD2 4.05Å; F35-F82 HydrophobicContact CD2-CD2 4.21Å; F35-F82 HydrophobicContact CE1-CB 4.05Å; F35-F82 HydrophobicContact CE2-CB 4.3Å; F35-F82 AromaticContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CZ-CB 4Å; F35-V85 HydrophobicContact CD2-CB 4.49Å; F35-V85 HydrophobicContact CD2-CG2 3.99Å; F35-V85 HydrophobicContact CE2-CG2 4.08Å
36	L	90	Very high	87.9	Confident	47 Å²	47	53.9 Å²	53.9	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-32	178.7	-72.7	-177.9	0	0	0	113.5	H32 L38 C39	H32-L36 WeakPolarHBondContact CE1-CD1 3.36Å; H32-L36 WeakPolarHBondContact O-CG 3.45Å; H32-L36 PolarHBondContact O-N 2.96Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 PolarHBondContact O-N 3.43Å; L36-C39 PolarHBondContact O-N 3.49Å
37	K	89.1	Confident	87.7	Confident	148 Å²	148	55.3 Å²	55.3	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-66.2	-27.8	174.2	-76.5	165.5	175.5	164	0	113.2	D33 S34 F35	D33-K37 WeakPolarHBondContact O-CG 3.22Å; D33-K37 PolarHBondContact O-N 2.87Å; D33-K37 VanDerWaalsContact O-N 3.14Å; D33-K37 WeakPolarHBondContact OD2-CE 3.33Å; D33-K37 IonicContact OD2-NZ 2.72Å; D33-K37 PolarHBondContact OD2-NZ 3.47Å; S34-K37 PolarHBondContact O-N 3.45Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 2.97Å
38	L	89.7	Confident	87.7	Confident	49 Å²	49	52.6 Å²	52.6	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-87.1	-24	177.4	-65.4	173.6	0	0	0	111.9	S34 F35 L36 L50 Q54 L58	S34-L38 PolarHBondContact O-N 3.15Å; F35-L38 PolarHBondContact O-N 3.39Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 PolarHBondContact O-N 3.43Å; L38-L50 HydrophobicContact CB-CD1 3.96Å; L38-L50 HydrophobicContact CB-CD2 3.46Å; L38-L50 VanDerWaalsContact CB-CD2 3.46Å; L38-L50 HydrophobicContact CB-CG 4.37Å; L38-L50 HydrophobicContact CD1-CD1 3.75Å; L38-Q54 PolarHBondContact O-NE2 3.34Å; L38-L58 HydrophobicContact CD1-CD2 3.92Å
39	C	86.7	Confident	87.7	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.074	31%	0.314	C	S	.	.	S	Bend	trans	-77.5	152.4	175.4	-62.3	0	0	0	0	112.5	F35 L36 A48 L50	F35-C39 VanDerWaalsContact CE1-SG 3.54Å; F35-C39 PolarHBondContact O-N 2.96Å; F35-C39 VanDerWaalsContact O-N 3.08Å; F35-C39 PolarHBondContact O-SG 3.45Å; L36-C39 PolarHBondContact O-N 3.49Å; C39-A48 HydrophobicContact CB-CB 4.22Å; C39-A48 VanDerWaalsContact SG-CB 3.6Å; C39-L50 VanDerWaalsContact SG-CD2 3.59Å
40	P	80	Confident	87.8	Confident	81 Å²	81	54.6 Å²	54.6	53%	0.526	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-56.4	142.2	164.7	-22.7	33.4	0	0	0	111.2
41	P	77.7	Confident	88	Confident	131 Å²	131	56.1 Å²	56.1	85%	0.851	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	146	-175.8	26.6	-34.8	0	0	0	112
42	G	77.8	Confident	88.2	Confident	87 Å²	87	57.9 Å²	57.9	90%	0.897	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-0.4	171.6	0	0	0	0	0	115.8
43	K	78.5	Confident	88.4	Confident	106 Å²	106	63.9 Å²	63.9	46%	0.461	36%	0.357	S	S	.	.			trans	-85	140.5	170.2	-69.2	-165.6	173.8	-169	0	111.4	A48	K43-A48 HydrophobicContact CB-CB 4.11Å; K43-A48 HydrophobicContact CD-CB 4.35Å
44	Y	86.3	Confident	88.6	Confident	72 Å²	72	64.4 Å²	64.4	28%	0.282	36%	0.358	S	S	.	.			trans	-68.4	139.5	167.1	-178.8	-126.9	0	0	0	109.7	K46 E47 A48	Y44-K46 VanDerWaalsContact C-N 3.3Å; Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.3Å; Y44-K46 HydrophobicContact CE1-CB 3.54Å; Y44-K46 HydrophobicContact CE1-CD 3.83Å; Y44-K46 HydrophobicContact CE1-CG 3.54Å; Y44-K46 PolarHBondContact O-N 3.47Å; Y44-K46 WeakPolarHBondContact OH-CE 3.47Å; Y44-E47 HydrophobicContact CD1-CG 4.35Å; Y44-E47 PolarHBondContact O-N 3.5Å; Y44-A48 PolarHBondContact O-N 3.05Å
45	Y	87.6	Confident	88.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-61.6	-35.8	-169.7	74	-89.5	0	0	0	113	Q8 M9 D13 Y17 H32 E47 A48 F82	Q8-Y45 WeakPolarHBondContact O-CE1 3.45Å; M9-Y45 HydrophobicContact CB-CE1 4.29Å; M9-Y45 HydrophobicContact CE-CE2 4.12Å; M9-Y45 HydrophobicContact CG-CE1 4.48Å; D13-Y45 WeakPolarHBondContact CB-OH 3.43Å; D13-Y45 VanDerWaalsContact CG-OH 3.24Å; D13-Y45 PolarHBondContact OD2-OH 3.3Å; Y17-Y45 HydrophobicContact CE2-CE2 4.16Å; H32-Y45 AromaticContact CD2-CD1 3.86Å; H32-Y45 AromaticContact CD2-CG 3.74Å; H32-Y45 AromaticContact NE2-CD1 3.44Å; H32-Y45 WeakPolarHBondContact NE2-CD1 3.48Å; H32-Y45 AromaticContact NE2-CG 3.71Å; Y45-E47 PolarHBondContact O-N 2.96Å; Y45-A48 PolarHBondContact O-N 2.95Å; Y45-F82 HydrophobicContact CD2-CB 3.82Å; Y45-F82 AromaticContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD2 4.26Å; Y45-F82 AromaticContact CD2-CE1 3.98Å; Y45-F82 HydrophobicContact CD2-CE1 3.98Å; Y45-F82 AromaticContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CE2-CB 4.5Å; Y45-F82 AromaticContact CE2-CD1 3.36Å; Y45-F82 HydrophobicContact CE2-CD1 3.36Å; Y45-F82 AromaticContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CG 4.03Å
46	K	89.4	Confident	88.9	Confident	80 Å²	80	64.1 Å²	64.1	35%	0.348	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-69.2	-15.1	177.9	-58	-165.7	-177.2	-172.7	0	114.1	D13 Y17 Y44	D13-K46 IonicContact OD1-NZ 3.74Å; D13-K46 PolarHBondContact OD1-NZ 3.26Å; D13-K46 IonicContact OD2-NZ 2.82Å; Y17-K46 WeakPolarHBondContact OH-CE 3.27Å; Y44-K46 VanDerWaalsContact C-N 3.3Å; Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.3Å; Y44-K46 HydrophobicContact CE1-CB 3.54Å; Y44-K46 HydrophobicContact CE1-CD 3.83Å; Y44-K46 HydrophobicContact CE1-CG 3.54Å; Y44-K46 PolarHBondContact O-N 3.47Å; Y44-K46 WeakPolarHBondContact OH-CE 3.47Å
47	E	88.5	Confident	89	Confident	150 Å²	150	64.1 Å²	64.1	70%	0.701	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-105.5	-5.5	177.8	-62.7	177.9	173.5	0	0	112.4	Y44 Y45	Y44-E47 HydrophobicContact CD1-CG 4.35Å; Y44-E47 PolarHBondContact O-N 3.5Å; Y45-E47 PolarHBondContact O-N 2.96Å
48	A	91	Very high	89.1	Confident	3 Å²	3	57.9 Å²	57.9	3%	0.025	33%	0.334	C	S	.	.			trans	-94.5	150.2	-179.2	0	0	0	0	0	110.5	F35 C39 K43 Y44 Y45	F35-A48 HydrophobicContact CE1-CB 3.99Å; C39-A48 HydrophobicContact CB-CB 4.22Å; C39-A48 VanDerWaalsContact SG-CB 3.6Å; K43-A48 HydrophobicContact CB-CB 4.11Å; K43-A48 HydrophobicContact CD-CB 4.35Å; Y44-A48 PolarHBondContact O-N 3.05Å; Y45-A48 PolarHBondContact O-N 2.95Å
49	T	93.8	Very high	89.1	Confident	73 Å²	73	60.5 Å²	60.5	45%	0.448	35%	0.354	S	S	.	.			trans	-135.3	147.9	177.6	58.2	0	0	0	0	109.5	V79 F80	T49-V79 HydrophobicContact CG2-CG2 4.42Å; T49-F80 CarbonylContact C-O 3.56Å; T49-F80 WeakPolarHBondContact CA-O 3.38Å
50	L	94.2	Very high	89.1	Confident	3 Å²	3	61 Å²	61	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.6	171.1	-60.1	-179.9	0	0	0	110.4	F35 L38 C39 Q54 V55 V79 F80	F35-L50 HydrophobicContact CD2-CD1 3.49Å; F35-L50 VanDerWaalsContact CD2-CD1 3.49Å; F35-L50 HydrophobicContact CD2-CG 3.94Å; F35-L50 HydrophobicContact CE2-CD1 3.69Å; F35-L50 HydrophobicContact CE2-CG 3.64Å; F35-L50 HydrophobicContact CG-CD1 4.32Å; F35-L50 HydrophobicContact CZ-CG 4.23Å; L38-L50 HydrophobicContact CB-CD1 3.96Å; L38-L50 HydrophobicContact CB-CD2 3.46Å; L38-L50 VanDerWaalsContact CB-CD2 3.46Å; L38-L50 HydrophobicContact CB-CG 4.37Å; L38-L50 HydrophobicContact CD1-CD1 3.75Å; C39-L50 VanDerWaalsContact SG-CD2 3.59Å; L50-Q54 HydrophobicContact CB-CB 4.22Å; L50-V55 HydrophobicContact CB-CG2 3.84Å; L50-V55 HydrophobicContact CD1-CG2 4.07Å; L50-V79 CarbonylContact O-C 3.51Å; L50-V79 VanDerWaalsContact O-CA 3.27Å; L50-V79 WeakPolarHBondContact O-CA 3.41Å; L50-F80 HydrophobicContact CB-CB 4.31Å; L50-F80 PolarHBondContact N-O 2.96Å; L50-F80 PolarHBondContact O-N 2.88Å
51	T	95.5	Very high	89.6	Confident	62 Å²	62	57.1 Å²	57.1	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	159.7	169.9	68.5	0	0	0	0	110.7	D53 Q54 V55	T51-D53 PolarHBondContact O-N 3.23Å; T51-Q54 WeakPolarHBondContact O-CB 3.43Å; T51-Q54 PolarHBondContact O-N 2.82Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.49Å; T51-Q54 PolarHBondContact OG1-N 3.25Å; T51-V55 PolarHBondContact O-N 3.33Å; T51-V55 VanDerWaalsContact O-N 3.14Å
52	V	95.6	Very high	90.3	Very high	38 Å²	38	58.2 Å²	58.2	23%	0.23	32%	0.321	C	S	.	.	H	α-helix	trans	-52.8	-38.1	170.6	167.5	0	0	0	0	111.8	Q54 V55 S56 C71 N78 F80	V52-Q54 PolarHBondContact O-N 2.83Å; V52-V55 PolarHBondContact O-N 3.43Å; V52-S56 VanDerWaalsContact O-CB 3.24Å; V52-S56 WeakPolarHBondContact O-CB 3.3Å; V52-S56 PolarHBondContact O-N 2.95Å; V52-S56 PolarHBondContact O-OG 2.99Å; V52-C71 HydrophobicContact CG1-CB 3.74Å; V52-C71 HydrophobicContact CG2-CB 4.4Å; V52-N78 HydrophobicContact CG2-CB 4.23Å; V52-N78 WeakPolarHBondContact CG2-O 3.44Å; V52-F80 HydrophobicContact CG2-CE2 4.03Å
53	D	94.6	Very high	90.9	Very high	125 Å²	125	60.1 Å²	60.1	67%	0.668	32%	0.315	S	S	*	.	H	α-helix	trans	-63.8	-40.2	177.7	-66.1	-27.4	0	0	0	112.2	T51 S56 S57	T51-D53 PolarHBondContact O-N 3.23Å; D53-S56 WeakPolarHBondContact CA-OG 3.3Å; D53-S56 PolarHBondContact O-OG 2.97Å; D53-S56 VanDerWaalsContact O-OG 3.14Å; D53-S57 VanDerWaalsContact O-CB 3.29Å; D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.97Å; D53-S57 VanDerWaalsContact O-N 3.08Å
54	Q	93.9	Very high	91.5	Very high	56 Å²	56	56.7 Å²	56.7	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-44.7	177.6	-69.8	175.5	-61.4	0	0	111.2	L38 L50 T51 V52 S57	L38-Q54 PolarHBondContact O-NE2 3.34Å; L50-Q54 HydrophobicContact CB-CB 4.22Å; T51-Q54 WeakPolarHBondContact O-CB 3.43Å; T51-Q54 PolarHBondContact O-N 2.82Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.49Å; T51-Q54 PolarHBondContact OG1-N 3.25Å; V52-Q54 PolarHBondContact O-N 2.83Å; Q54-S57 PolarHBondContact O-N 3.24Å; Q54-S57 PolarHBondContact O-OG 3.48Å
55	V	94	Very high	91.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-70.5	-44.8	-179.8	177.6	0	0	0	0	111.7	L50 T51 V52 S57 L58 L61 F80 M88	L50-V55 HydrophobicContact CB-CG2 3.84Å; L50-V55 HydrophobicContact CD1-CG2 4.07Å; T51-V55 PolarHBondContact O-N 3.33Å; T51-V55 VanDerWaalsContact O-N 3.14Å; V52-V55 PolarHBondContact O-N 3.43Å; V55-S57 PolarHBondContact O-N 3.37Å; V55-L58 HydrophobicContact CG1-CD1 4.18Å; V55-L58 WeakPolarHBondContact O-CB 3.23Å; V55-L58 WeakPolarHBondContact O-CD1 3.33Å; V55-L58 WeakPolarHBondContact O-CG 3.39Å; V55-L58 PolarHBondContact O-N 3.37Å; V55-L61 HydrophobicContact CG1-CD1 3.81Å; V55-F80 HydrophobicContact CB-CD2 4.01Å; V55-F80 HydrophobicContact CB-CE2 4Å; V55-F80 HydrophobicContact CB-CG 4.47Å; V55-F80 HydrophobicContact CB-CZ 4.46Å; V55-F80 HydrophobicContact CG1-CD2 4.41Å; V55-F80 HydrophobicContact CG1-CE1 4.28Å; V55-F80 HydrophobicContact CG1-CE2 4.15Å; V55-F80 HydrophobicContact CG1-CZ 4.11Å; V55-F80 HydrophobicContact CG2-CB 3.99Å; V55-F80 HydrophobicContact CG2-CD1 4.3Å; V55-F80 HydrophobicContact CG2-CD2 3.51Å; V55-F80 HydrophobicContact CG2-CE2 4.02Å; V55-F80 HydrophobicContact CG2-CG 3.68Å; V55-M88 HydrophobicContact CG1-CE 3.79Å; V55-M88 HydrophobicContact CG1-SD 4.41Å
56	S	93.3	Very high	92.2	Very high	24 Å²	24	56.2 Å²	56.2	17%	0.168	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-21.7	176.5	63.1	0	0	0	0	113.4	V52 D53 L58 R62	V52-S56 VanDerWaalsContact O-CB 3.24Å; V52-S56 WeakPolarHBondContact O-CB 3.3Å; V52-S56 PolarHBondContact O-N 2.95Å; V52-S56 PolarHBondContact O-OG 2.99Å; D53-S56 WeakPolarHBondContact CA-OG 3.3Å; D53-S56 PolarHBondContact O-OG 2.97Å; D53-S56 VanDerWaalsContact O-OG 3.14Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.31Å; S56-R62 WeakPolarHBondContact O-CA 3.47Å
57	S	92	Very high	92.5	Very high	46 Å²	46	57.9 Å²	57.9	32%	0.322	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.4	174.7	82.5	0	0	0	0	114.1	D53 Q54 V55 R62	D53-S57 VanDerWaalsContact O-CB 3.29Å; D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.97Å; D53-S57 VanDerWaalsContact O-N 3.08Å; Q54-S57 PolarHBondContact O-N 3.24Å; Q54-S57 PolarHBondContact O-OG 3.48Å; V55-S57 PolarHBondContact O-N 3.37Å; S57-R62 PolarHBondContact O-NE 2.72Å; S57-R62 VanDerWaalsContact O-NE 3.15Å; S57-R62 PolarHBondContact O-NH2 2.97Å
58	L	90.7	Very high	92.8	Very high	18 Å²	18	54 Å²	54	9%	0.094	29%	0.294	C	S	.	.	S	Bend	trans	-56	135.8	178.4	-72.1	172.6	0	0	0	110.3	L38 V55 S56 A60 L61 R62 W183	L38-L58 HydrophobicContact CD1-CD2 3.92Å; V55-L58 HydrophobicContact CG1-CD1 4.18Å; V55-L58 WeakPolarHBondContact O-CB 3.23Å; V55-L58 WeakPolarHBondContact O-CD1 3.33Å; V55-L58 WeakPolarHBondContact O-CG 3.39Å; V55-L58 PolarHBondContact O-N 3.37Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.31Å; L58-A60 PolarHBondContact O-N 2.76Å; L58-L61 PolarHBondContact O-N 3.14Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.26Å; L58-W183 HydrophobicContact CD1-CH2 3.74Å; L58-W183 HydrophobicContact CD1-CZ3 4.36Å; L58-W183 HydrophobicContact CD2-CH2 4.15Å; L58-W183 HydrophobicContact CD2-CZ3 4Å
59	P	89	Confident	93	Very high	103 Å²	103	54.4 Å²	54.4	67%	0.669	30%	0.295	S	S	*	.	H	α-helix	trans	-51.6	-36.9	-176.9	-29.5	35.7	0	0	0	114.2
60	A	87.6	Confident	93.1	Very high	22 Å²	22	51.1 Å²	51.1	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-73.7	-23.5	-179.6	0	0	0	0	0	114.6	L58 I180 F182	L58-A60 PolarHBondContact O-N 2.76Å; A60-I180 HydrophobicContact CB-CG2 3.69Å; A60-F182 HydrophobicContact CB-CB 4.4Å; A60-F182 HydrophobicContact CB-CD1 4.17Å; A60-F182 HydrophobicContact CB-CG 4.38Å
61	L	91.3	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-99.7	-29.7	177.5	-73	179.7	0	0	0	113.1	V55 L58 V63 N64 R67 I70 M88 I180 F182	V55-L61 HydrophobicContact CG1-CD1 3.81Å; L58-L61 PolarHBondContact O-N 3.14Å; L61-V63 PolarHBondContact O-N 2.94Å; L61-V63 VanDerWaalsContact O-N 3.1Å; L61-N64 VanDerWaalsContact O-CB 3.3Å; L61-N64 WeakPolarHBondContact O-CB 3.05Å; L61-N64 PolarHBondContact O-N 3.4Å; L61-R67 WeakPolarHBondContact O-CB 3.43Å; L61-I70 HydrophobicContact CD2-CD1 3.94Å; L61-I70 HydrophobicContact CD2-CG2 4.03Å; L61-M88 HydrophobicContact CD1-CE 4.18Å; L61-M88 HydrophobicContact CD1-SD 4.07Å; L61-I180 HydrophobicContact CD2-CD1 3.87Å; L61-F182 HydrophobicContact CD1-CE1 3.75Å; L61-F182 HydrophobicContact CD1-CZ 4.49Å; L61-F182 HydrophobicContact CD2-CE1 3.74Å; L61-F182 HydrophobicContact CD2-CZ 3.89Å; L61-F182 HydrophobicContact CG-CD1 4.37Å; L61-F182 HydrophobicContact CG-CE1 3.53Å; L61-F182 HydrophobicContact CG-CZ 4.21Å
62	R	91.1	Very high	93.3	Very high	154 Å²	154	53.8 Å²	53.8	58%	0.581	28%	0.277	S	S	*	.	H	α-helix	trans	-55.6	-36	-172.1	-173.2	-174.8	-59.8	-172.3	-0.8	113.2	S56 S57 L58	S56-R62 WeakPolarHBondContact O-CA 3.47Å; S57-R62 PolarHBondContact O-NE 2.72Å; S57-R62 VanDerWaalsContact O-NE 3.15Å; S57-R62 PolarHBondContact O-NH2 2.97Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.26Å
63	V	90.1	Very high	93.3	Very high	126 Å²	126	53.6 Å²	53.6	76%	0.764	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.2	-179.7	-60.9	0	0	0	0	113.4	L61	L61-V63 PolarHBondContact O-N 2.94Å; L61-V63 VanDerWaalsContact O-N 3.1Å
64	N	92.2	Very high	93.4	Very high	34 Å²	34	48.2 Å²	48.2	18%	0.182	25%	0.247	C	C	.	.			trans	-82.1	126.9	-178.9	-168.1	-56.5	0	0	0	110.3	L61 F66 R67	L61-N64 VanDerWaalsContact O-CB 3.3Å; L61-N64 WeakPolarHBondContact O-CB 3.05Å; L61-N64 PolarHBondContact O-N 3.4Å; N64-F66 PolarHBondContact O-N 3.17Å; N64-F66 WeakPolarHBondContact OD1-CA 3.39Å; N64-F66 WeakPolarHBondContact OD1-CB 3.3Å; N64-F66 PolarHBondContact OD1-N 2.91Å; N64-R67 HydrophobicContact CB-CB 4.44Å; N64-R67 WeakPolarHBondContact O-CB 3.48Å; N64-R67 PolarHBondContact O-N 3.09Å
65	P	93.3	Very high	93.5	Very high	50 Å²	50	46.2 Å²	46.2	33%	0.325	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.6	-179.2	27.9	-35	0	0	0	113.8	R128	P65-R128 HydrophobicContact CB-CB 4.2Å; P65-R128 WeakPolarHBondContact CB-O 3.34Å; P65-R128 PolarHBondContact O-NH1 3.16Å
66	F	95	Very high	93.5	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.057	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	14	176.5	-56.8	-78.4	0	0	0	113	N64 D68 R69 I70 I108 Y109 F111 I125 R128 L129	N64-F66 PolarHBondContact O-N 3.17Å; N64-F66 WeakPolarHBondContact OD1-CA 3.39Å; N64-F66 WeakPolarHBondContact OD1-CB 3.3Å; N64-F66 PolarHBondContact OD1-N 2.91Å; F66-D68 VanDerWaalsContact C-N 3.26Å; F66-D68 PolarHBondContact O-N 3.35Å; F66-D68 VanDerWaalsContact O-N 3.15Å; F66-R69 WeakPolarHBondContact O-CA 3.37Å; F66-R69 WeakPolarHBondContact O-CB 3.22Å; F66-R69 PolarHBondContact O-N 3.48Å; F66-I70 HydrophobicContact CB-CD1 4.36Å; F66-I70 HydrophobicContact CB-CG1 4.42Å; F66-I70 WeakPolarHBondContact O-CG1 3.42Å; F66-I70 PolarHBondContact O-N 3.02Å; F66-I108 HydrophobicContact CB-CG2 4.05Å; F66-I108 HydrophobicContact CG-CG2 4.42Å; F66-Y109 HydrophobicContact CD1-CD1 4.32Å; F66-Y109 HydrophobicContact CD1-CE1 4.09Å; F66-Y109 HydrophobicContact CD2-CE1 4.4Å; F66-Y109 HydrophobicContact CE1-CD1 4.09Å; F66-Y109 AromaticContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE2-CE1 4.14Å; F66-Y109 HydrophobicContact CG-CE1 4.38Å; F66-Y109 AromaticContact CZ-CE1 3.84Å; F66-Y109 HydrophobicContact CZ-CE1 3.84Å; F66-F111 HydrophobicContact CD1-CZ 4.32Å; F66-F111 HydrophobicContact CE1-CZ 4.35Å; F66-I125 HydrophobicContact CE1-CB 4.47Å; F66-I125 HydrophobicContact CE1-CG1 4.3Å; F66-I125 HydrophobicContact CE1-CG2 4.33Å; F66-I125 HydrophobicContact CZ-CG2 3.99Å; F66-R128 HydrophobicContact CE1-CB 4.02Å; F66-R128 HydrophobicContact CZ-CB 4.07Å; F66-L129 HydrophobicContact CE2-CD2 3.72Å; F66-L129 HydrophobicContact CE2-CG 4.16Å; F66-L129 HydrophobicContact CZ-CD2 4.07Å; F66-L129 HydrophobicContact CZ-CG 3.98Å
67	R	94.8	Very high	93.5	Very high	114 Å²	114	58.2 Å²	58.2	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-52.6	-39.5	-174.5	70.5	-175.8	-178.1	-79.2	-5.1	114.3	L61 N64 C71	L61-R67 WeakPolarHBondContact O-CB 3.43Å; N64-R67 HydrophobicContact CB-CB 4.44Å; N64-R67 WeakPolarHBondContact O-CB 3.48Å; N64-R67 PolarHBondContact O-N 3.09Å; R67-C71 WeakPolarHBondContact O-CB 3.37Å; R67-C71 PolarHBondContact O-N 3.24Å; R67-C71 PolarHBondContact O-SG 3.19Å
68	D	95.1	Very high	93.5	Very high	68 Å²	68	60.5 Å²	60.5	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-42.1	178.2	55.6	-55.2	0	0	0	111	F66 C71 R72 R128	F66-D68 VanDerWaalsContact C-N 3.26Å; F66-D68 PolarHBondContact O-N 3.35Å; F66-D68 VanDerWaalsContact O-N 3.15Å; D68-C71 PolarHBondContact O-N 2.79Å; D68-R72 VanDerWaalsContact O-CB 3.32Å; D68-R72 WeakPolarHBondContact O-CB 3.37Å; D68-R72 PolarHBondContact O-N 3.06Å; D68-R128 IonicContact OD1-CZ 3.51Å; D68-R128 IonicContact OD1-NH1 3.5Å; D68-R128 PolarHBondContact OD1-NH1 2.87Å; D68-R128 IonicContact OD1-NH2 3.81Å; D68-R128 IonicContact OD2-CZ 3.63Å; D68-R128 IonicContact OD2-NH1 3.95Å; D68-R128 PolarHBondContact OD2-NH1 2.92Å; D68-R128 IonicContact OD2-NH2 2.66Å; D68-R128 PolarHBondContact OD2-NH2 3.37Å
69	R	96.2	Very high	93.8	Very high	13 Å²	13	62 Å²	62	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-68.8	-45.1	176.6	-64.7	-52	-51.8	-72.1	-0.9	112.3	F66 C71 R72 V73 R107 I108 D110 F111	F66-R69 WeakPolarHBondContact O-CA 3.37Å; F66-R69 WeakPolarHBondContact O-CB 3.22Å; F66-R69 PolarHBondContact O-N 3.48Å; R69-C71 VanDerWaalsContact C-N 3.25Å; R69-C71 PolarHBondContact O-N 2.85Å; R69-R72 WeakPolarHBondContact O-CB 3.41Å; R69-R72 PolarHBondContact O-N 2.89Å; R69-R72 VanDerWaalsContact O-N 3.16Å; R69-V73 WeakPolarHBondContact O-CG2 3.5Å; R69-V73 PolarHBondContact O-N 2.73Å; R69-R107 PolarHBondContact NH2-O 2.98Å; R69-I108 HydrophobicContact CB-CG2 3.97Å; R69-I108 WeakPolarHBondContact CB-O 3.44Å; R69-I108 PolarHBondContact NH1-O 3.22Å; R69-D110 VanDerWaalsContact CZ-O 3.31Å; R69-D110 PolarHBondContact NH1-O 3.31Å; R69-D110 PolarHBondContact NH2-O 3.31Å; R69-F111 VanDerWaalsContact CD-CE1 3.48Å; R69-F111 HydrophobicContact CG-CD1 3.95Å; R69-F111 HydrophobicContact CG-CE1 3.35Å; R69-F111 HydrophobicContact CG-CZ 3.93Å; R69-F111 VanDerWaalsContact NH1-CD2 3.28Å; R69-F111 VanDerWaalsContact NH1-N 3.19Å
70	I	96.2	Very high	94.1	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-55.1	-48.2	172.4	-65.3	167.4	0	0	0	109	L61 F66 R72 V73 F74 M88 F92 I108 I180	L61-I70 HydrophobicContact CD2-CD1 3.94Å; L61-I70 HydrophobicContact CD2-CG2 4.03Å; F66-I70 HydrophobicContact CB-CD1 4.36Å; F66-I70 HydrophobicContact CB-CG1 4.42Å; F66-I70 WeakPolarHBondContact O-CG1 3.42Å; F66-I70 PolarHBondContact O-N 3.02Å; I70-R72 VanDerWaalsContact C-N 3.32Å; I70-R72 PolarHBondContact O-N 3.14Å; I70-V73 PolarHBondContact O-N 3.16Å; I70-F74 HydrophobicContact CG2-CD2 4Å; I70-F74 HydrophobicContact CG2-CE2 4.33Å; I70-F74 WeakPolarHBondContact O-CD2 3.47Å; I70-F74 PolarHBondContact O-N 3.08Å; I70-M88 HydrophobicContact CG2-CG 4.32Å; I70-M88 HydrophobicContact CG2-SD 3.76Å; I70-F92 HydrophobicContact CD1-CZ 3.97Å; I70-F92 HydrophobicContact CG1-CZ 4.05Å; I70-F92 HydrophobicContact CG2-CE2 3.92Å; I70-F92 HydrophobicContact CG2-CZ 4.28Å; I70-I108 HydrophobicContact CG1-CD1 3.9Å; I70-I108 HydrophobicContact CG1-CG1 4.33Å; I70-I108 HydrophobicContact CG1-CG2 4.43Å; I70-I180 HydrophobicContact CD1-CD1 3.89Å
71	C	96.5	Very high	94.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-39.9	-179.7	-69.8	0	0	0	0	112.5	V52 R67 D68 R69 S75 F80	V52-C71 HydrophobicContact CG1-CB 3.74Å; V52-C71 HydrophobicContact CG2-CB 4.4Å; R67-C71 WeakPolarHBondContact O-CB 3.37Å; R67-C71 PolarHBondContact O-N 3.24Å; R67-C71 PolarHBondContact O-SG 3.19Å; D68-C71 PolarHBondContact O-N 2.79Å; R69-C71 VanDerWaalsContact C-N 3.25Å; R69-C71 PolarHBondContact O-N 2.85Å; C71-S75 WeakPolarHBondContact O-CB 3.49Å; C71-S75 PolarHBondContact O-N 2.78Å; C71-S75 PolarHBondContact O-OG 3.2Å; C71-F80 HydrophobicContact CB-CE2 4.29Å; C71-F80 HydrophobicContact CB-CZ 4.14Å; C71-F80 WeakPolarHBondContact O-CZ 3.44Å
72	R	95.7	Very high	94.6	Very high	120 Å²	120	57.5 Å²	57.5	45%	0.453	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-46.6	177.5	177.6	61.4	175.1	-178.3	2.6	112.1	D68 R69 I70 E113	D68-R72 VanDerWaalsContact O-CB 3.32Å; D68-R72 WeakPolarHBondContact O-CB 3.37Å; D68-R72 PolarHBondContact O-N 3.06Å; R69-R72 WeakPolarHBondContact O-CB 3.41Å; R69-R72 PolarHBondContact O-N 2.89Å; R69-R72 VanDerWaalsContact O-N 3.16Å; I70-R72 VanDerWaalsContact C-N 3.32Å; I70-R72 PolarHBondContact O-N 3.14Å; R72-E113 IonicContact CZ-OE1 3.15Å; R72-E113 IonicContact NE-OE1 2.76Å; R72-E113 PolarHBondContact NE-OE1 2.69Å; R72-E113 IonicContact NH2-OE1 2.78Å; R72-E113 PolarHBondContact NH2-OE1 2.89Å; R72-E113 IonicContact NH2-OE2 3.44Å; R72-E113 PolarHBondContact NH2-OE2 3.5Å; R72-E113 VanDerWaalsContact NH2-OE2 3.09Å
73	V	96.5	Very high	94.8	Very high	35 Å²	35	53.6 Å²	53.6	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-36.6	-176.1	170.7	0	0	0	0	112.9	R69 I70 Y104 R107 I108	R69-V73 WeakPolarHBondContact O-CG2 3.5Å; R69-V73 PolarHBondContact O-N 2.73Å; I70-V73 PolarHBondContact O-N 3.16Å; V73-Y104 HydrophobicContact CG1-CD1 3.76Å; V73-Y104 HydrophobicContact CG1-CE1 4.05Å; V73-R107 HydrophobicContact CG1-CB 4.03Å; V73-R107 HydrophobicContact CG2-CB 4.03Å; V73-R107 WeakPolarHBondContact CG2-O 3.43Å; V73-I108 HydrophobicContact CB-CG1 4.33Å; V73-I108 HydrophobicContact CG2-CG1 3.97Å
74	F	96.5	Very high	95.1	Very high	11 Å²	11	48.6 Å²	48.6	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-95.5	-14.6	-175.6	-74.3	-79.4	0	0	0	114.7	I70 F80 M88 V91 F92 Y104	I70-F74 HydrophobicContact CG2-CD2 4Å; I70-F74 HydrophobicContact CG2-CE2 4.33Å; I70-F74 WeakPolarHBondContact O-CD2 3.47Å; I70-F74 PolarHBondContact O-N 3.08Å; F74-F80 HydrophobicContact CB-CE1 3.67Å; F74-F80 HydrophobicContact CB-CZ 4.3Å; F74-M88 HydrophobicContact CB-CB 4.16Å; F74-M88 HydrophobicContact CB-CG 4.45Å; F74-M88 HydrophobicContact CD1-CB 3.7Å; F74-M88 HydrophobicContact CD1-CG 4.3Å; F74-M88 HydrophobicContact CD2-CB 4.1Å; F74-M88 HydrophobicContact CD2-CG 3.79Å; F74-M88 HydrophobicContact CD2-SD 4.37Å; F74-M88 HydrophobicContact CE1-CB 4.05Å; F74-M88 HydrophobicContact CE2-CB 4.43Å; F74-M88 HydrophobicContact CE2-CG 4.04Å; F74-M88 HydrophobicContact CG-CB 3.73Å; F74-M88 HydrophobicContact CG-CG 3.93Å; F74-M88 HydrophobicContact CZ-CB 4.39Å; F74-M88 HydrophobicContact CZ-CG 4.38Å; F74-V91 HydrophobicContact CE1-CB 4.2Å; F74-V91 HydrophobicContact CE1-CG2 3.82Å; F74-V91 HydrophobicContact CZ-CB 3.79Å; F74-V91 HydrophobicContact CZ-CG1 4Å; F74-V91 HydrophobicContact CZ-CG2 3.82Å; F74-F92 AromaticContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CZ-CE2 4.36Å; F74-Y104 HydrophobicContact CD1-CD1 4.39Å; F74-Y104 AromaticContact CD1-CE1 3.82Å; F74-Y104 HydrophobicContact CD1-CE1 3.82Å; F74-Y104 AromaticContact CE1-CD1 3.51Å; F74-Y104 HydrophobicContact CE1-CD1 3.51Å; F74-Y104 AromaticContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CG 4.43Å; F74-Y104 AromaticContact CE1-CZ 3.82Å; F74-Y104 AromaticContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CE1 4.19Å; F74-Y104 AromaticContact CZ-CD1 3.15Å; F74-Y104 HydrophobicContact CZ-CD1 3.15Å; F74-Y104 AromaticContact CZ-CE1 3.37Å; F74-Y104 HydrophobicContact CZ-CE1 3.37Å; F74-Y104 AromaticContact CZ-CG 3.93Å; F74-Y104 HydrophobicContact CZ-CG 3.93Å
75	S	96.2	Very high	95.2	Very high	15 Å²	15	47.2 Å²	47.2	11%	0.105	24%	0.235	C	C	.	.			trans	-84.6	147.2	178.8	72.7	0	0	0	0	112.5	C71 V79 F80	C71-S75 WeakPolarHBondContact O-CB 3.49Å; C71-S75 PolarHBondContact O-N 2.78Å; C71-S75 PolarHBondContact O-OG 3.2Å; S75-V79 WeakPolarHBondContact CA-O 3.39Å; S75-V79 WeakPolarHBondContact CB-O 3.43Å; S75-F80 VanDerWaalsContact CB-CE2 3.47Å
76	H	94.1	Very high	95.3	Very high	120 Å²	120	45 Å²	45	56%	0.556	22%	0.221	S	C	*	.	B	Isolated β-bridge	trans	-106.3	121.6	166.9	-68.2	95.5	0	0	0	108.9	N78 V79 D84	H76-N78 VanDerWaalsContact C-N 3.28Å; H76-N78 PolarHBondContact O-N 2.66Å; H76-V79 PolarHBondContact N-O 3.23Å; H76-V79 WeakPolarHBondContact O-CG2 3.34Å; H76-V79 PolarHBondContact O-N 3.26Å; H76-V79 VanDerWaalsContact O-N 3.13Å; H76-V79 VanDerWaalsContact O-O 3.09Å; H76-D84 IonicContact CE1-OD1 3.51Å; H76-D84 PolarHBondContact CE1-OD1 2.91Å; H76-D84 IonicContact ND1-OD1 2.64Å; H76-D84 PolarHBondContact ND1-OD1 3.47Å; H76-D84 IonicContact ND1-OD2 3.64Å
77	N	92.7	Very high	95.3	Very high	156 Å²	156	45.5 Å²	45.5	83%	0.834	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	38.6	-176.8	-55.9	-49.9	0	0	0	113.9	V79	N77-V79 PolarHBondContact O-N 2.73Å
78	N	93.5	Very high	95.3	Very high	95 Å²	95	40.1 Å²	40.1	51%	0.508	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	21.8	-177.1	-54.9	-41.8	0	0	0	114.6	V52 H76	V52-N78 HydrophobicContact CG2-CB 4.23Å; V52-N78 WeakPolarHBondContact CG2-O 3.44Å; H76-N78 VanDerWaalsContact C-N 3.28Å; H76-N78 PolarHBondContact O-N 2.66Å
79	V	96.1	Very high	95.3	Very high	49 Å²	49	37 Å²	37	30%	0.297	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.6	170.7	-63.1	0	0	0	0	110.8	T49 L50 S75 H76 N77	T49-V79 HydrophobicContact CG2-CG2 4.42Å; L50-V79 CarbonylContact O-C 3.51Å; L50-V79 VanDerWaalsContact O-CA 3.27Å; L50-V79 WeakPolarHBondContact O-CA 3.41Å; S75-V79 WeakPolarHBondContact CA-O 3.39Å; S75-V79 WeakPolarHBondContact CB-O 3.43Å; H76-V79 PolarHBondContact N-O 3.23Å; H76-V79 WeakPolarHBondContact O-CG2 3.34Å; H76-V79 PolarHBondContact O-N 3.26Å; H76-V79 VanDerWaalsContact O-N 3.13Å; H76-V79 VanDerWaalsContact O-O 3.09Å; N77-V79 PolarHBondContact O-N 2.73Å
80	F	96.3	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.3	178.2	-73.5	-98.3	0	0	0	110	T49 L50 V52 V55 C71 F74 S75 D84 V85 M88	T49-F80 CarbonylContact C-O 3.56Å; T49-F80 WeakPolarHBondContact CA-O 3.38Å; L50-F80 HydrophobicContact CB-CB 4.31Å; L50-F80 PolarHBondContact N-O 2.96Å; L50-F80 PolarHBondContact O-N 2.88Å; V52-F80 HydrophobicContact CG2-CE2 4.03Å; V55-F80 HydrophobicContact CB-CD2 4.01Å; V55-F80 HydrophobicContact CB-CE2 4Å; V55-F80 HydrophobicContact CB-CG 4.47Å; V55-F80 HydrophobicContact CB-CZ 4.46Å; V55-F80 HydrophobicContact CG1-CD2 4.41Å; V55-F80 HydrophobicContact CG1-CE1 4.28Å; V55-F80 HydrophobicContact CG1-CE2 4.15Å; V55-F80 HydrophobicContact CG1-CZ 4.11Å; V55-F80 HydrophobicContact CG2-CB 3.99Å; V55-F80 HydrophobicContact CG2-CD1 4.3Å; V55-F80 HydrophobicContact CG2-CD2 3.51Å; V55-F80 HydrophobicContact CG2-CE2 4.02Å; V55-F80 HydrophobicContact CG2-CG 3.68Å; C71-F80 HydrophobicContact CB-CE2 4.29Å; C71-F80 HydrophobicContact CB-CZ 4.14Å; C71-F80 WeakPolarHBondContact O-CZ 3.44Å; F74-F80 HydrophobicContact CB-CE1 3.67Å; F74-F80 HydrophobicContact CB-CZ 4.3Å; S75-F80 VanDerWaalsContact CB-CE2 3.47Å; F80-D84 HydrophobicContact CB-CB 4.31Å; F80-D84 HydrophobicContact CD1-CB 3.77Å; F80-D84 HydrophobicContact CG-CB 4.45Å; F80-V85 HydrophobicContact CB-CG2 3.97Å; F80-V85 HydrophobicContact CD1-CG2 4.15Å; F80-V85 HydrophobicContact CG-CG2 4.41Å; F80-M88 HydrophobicContact CE1-SD 4.44Å
81	S	95.3	Very high	95.2	Very high	30 Å²	30	36.8 Å²	36.8	21%	0.21	20%	0.195	C	C	.	.			trans	-70.4	172.1	159	64.6	0	0	0	0	110.8	E83 D84 V85	S81-E83 VanDerWaalsContact C-N 3.28Å; S81-D84 WeakPolarHBondContact CB-OD2 3.47Å; S81-D84 PolarHBondContact N-OD2 3.11Å; S81-D84 PolarHBondContact O-N 3.44Å; S81-D84 PolarHBondContact OG-N 3.34Å; S81-D84 VanDerWaalsContact OG-N 3.1Å; S81-D84 PolarHBondContact OG-OD2 3.07Å; S81-V85 PolarHBondContact O-N 2.94Å
82	F	93.9	Very high	95.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-40.5	172.8	178.3	-111.3	0	0	0	111.4	M9 Y17 I28 I31 H32 F35 Y45 D84 V85 L86	M9-F82 HydrophobicContact CE-CD1 4.47Å; M9-F82 HydrophobicContact CE-CE1 3.38Å; M9-F82 HydrophobicContact CE-CZ 3.43Å; M9-F82 VanDerWaalsContact CE-CZ 3.43Å; Y17-F82 HydrophobicContact CD2-CE1 4.09Å; Y17-F82 HydrophobicContact CE2-CD1 4.18Å; Y17-F82 AromaticContact CE2-CE1 3.68Å; Y17-F82 HydrophobicContact CE2-CE1 3.68Å; Y17-F82 AromaticContact CZ-CE1 3.96Å; I28-F82 HydrophobicContact CG2-CZ 4.49Å; I31-F82 HydrophobicContact CG2-CE2 3.88Å; H32-F82 HydrophobicContact CB-CE2 3.82Å; H32-F82 HydrophobicContact CB-CZ 3.88Å; F35-F82 HydrophobicContact CB-CD2 4.09Å; F35-F82 HydrophobicContact CB-CE2 4.45Å; F35-F82 HydrophobicContact CD1-CB 4.4Å; F35-F82 HydrophobicContact CD1-CD2 4.05Å; F35-F82 HydrophobicContact CD2-CD2 4.21Å; F35-F82 HydrophobicContact CE1-CB 4.05Å; F35-F82 HydrophobicContact CE2-CB 4.3Å; F35-F82 AromaticContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CZ-CB 4Å; Y45-F82 HydrophobicContact CD2-CB 3.82Å; Y45-F82 AromaticContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD2 4.26Å; Y45-F82 AromaticContact CD2-CE1 3.98Å; Y45-F82 HydrophobicContact CD2-CE1 3.98Å; Y45-F82 AromaticContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CE2-CB 4.5Å; Y45-F82 AromaticContact CE2-CD1 3.36Å; Y45-F82 HydrophobicContact CE2-CD1 3.36Å; Y45-F82 AromaticContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CG 4.03Å; F82-D84 VanDerWaalsContact C-N 3.32Å; F82-D84 PolarHBondContact O-N 3.23Å; F82-V85 PolarHBondContact O-N 3.31Å; F82-L86 HydrophobicContact CD1-CD1 3.87Å; F82-L86 HydrophobicContact CD1-CG 4.3Å; F82-L86 HydrophobicContact CE1-CD1 3.3Å; F82-L86 HydrophobicContact CE1-CD2 4.41Å; F82-L86 HydrophobicContact CE1-CG 3.84Å; F82-L86 HydrophobicContact CE2-CD2 4.47Å; F82-L86 HydrophobicContact CE2-CG 4.28Å; F82-L86 HydrophobicContact CZ-CD1 3.72Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 3.8Å; F82-L86 PolarHBondContact O-N 3.39Å
83	E	95.3	Very high	95	Very high	73 Å²	73	31.9 Å²	31.9	34%	0.341	18%	0.178	S	C	.	.	H	α-helix	trans	-61	-38.5	176.2	-69.7	72.7	-164.5	0	0	112	Y17 S81 L86 G87	Y17-E83 HydrophobicContact CE1-CG 4.09Å; Y17-E83 PolarHBondContact OH-OE1 3.38Å; S81-E83 VanDerWaalsContact C-N 3.28Å; E83-L86 PolarHBondContact O-N 3.45Å; E83-G87 PolarHBondContact O-N 2.86Å
84	D	96.3	Very high	94.7	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-41.7	176.2	-63.3	-38.5	0	0	0	111.6	H76 F80 S81 F82 G87 M88	H76-D84 IonicContact CE1-OD1 3.51Å; H76-D84 PolarHBondContact CE1-OD1 2.91Å; H76-D84 IonicContact ND1-OD1 2.64Å; H76-D84 PolarHBondContact ND1-OD1 3.47Å; H76-D84 IonicContact ND1-OD2 3.64Å; F80-D84 HydrophobicContact CB-CB 4.31Å; F80-D84 HydrophobicContact CD1-CB 3.77Å; F80-D84 HydrophobicContact CG-CB 4.45Å; S81-D84 WeakPolarHBondContact CB-OD2 3.47Å; S81-D84 PolarHBondContact N-OD2 3.11Å; S81-D84 PolarHBondContact O-N 3.44Å; S81-D84 PolarHBondContact OG-N 3.34Å; S81-D84 VanDerWaalsContact OG-N 3.1Å; S81-D84 PolarHBondContact OG-OD2 3.07Å; F82-D84 VanDerWaalsContact C-N 3.32Å; F82-D84 PolarHBondContact O-N 3.23Å; D84-G87 PolarHBondContact O-N 2.93Å; D84-M88 WeakPolarHBondContact O-CB 3.27Å; D84-M88 PolarHBondContact O-N 3.04Å
85	V	94.7	Very high	94.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-39.6	176.6	179	0	0	0	0	111.1	I31 F35 F80 S81 F82 M88 A89 W183	I31-V85 HydrophobicContact CG2-CG1 3.74Å; F35-V85 HydrophobicContact CD2-CB 4.49Å; F35-V85 HydrophobicContact CD2-CG2 3.99Å; F35-V85 HydrophobicContact CE2-CG2 4.08Å; F80-V85 HydrophobicContact CB-CG2 3.97Å; F80-V85 HydrophobicContact CD1-CG2 4.15Å; F80-V85 HydrophobicContact CG-CG2 4.41Å; S81-V85 PolarHBondContact O-N 2.94Å; F82-V85 PolarHBondContact O-N 3.31Å; V85-M88 HydrophobicContact CG1-CE 4.46Å; V85-M88 PolarHBondContact O-N 3.32Å; V85-A89 WeakPolarHBondContact O-CB 3.45Å; V85-A89 PolarHBondContact O-N 3.14Å; V85-W183 HydrophobicContact CG1-CH2 4.3Å; V85-W183 HydrophobicContact CG1-CZ2 3.92Å
86	L	94.7	Very high	94.3	Very high	3 Å²	3	41 Å²	41	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-44.7	172.8	-76.1	-177.3	0	0	0	111.7	Y17 T21 L23 I28 I31 F82 E83 M88 A89 S90	Y17-L86 HydrophobicContact CD1-CD1 3.48Å; Y17-L86 VanDerWaalsContact CD1-CD1 3.48Å; Y17-L86 HydrophobicContact CD2-CD1 4.01Å; Y17-L86 HydrophobicContact CE1-CD1 3.9Å; Y17-L86 HydrophobicContact CE2-CD1 4.38Å; Y17-L86 HydrophobicContact CG-CD1 3.56Å; T21-L86 HydrophobicContact CG2-CB 4.47Å; L23-L86 HydrophobicContact CD1-CD2 3.88Å; I28-L86 HydrophobicContact CB-CD2 4.5Å; I28-L86 HydrophobicContact CG1-CD2 4.24Å; I28-L86 HydrophobicContact CG2-CD2 4.17Å; I31-L86 HydrophobicContact CB-CD2 4.21Å; I31-L86 HydrophobicContact CD1-CD2 3.73Å; I31-L86 HydrophobicContact CG2-CD2 3.95Å; F82-L86 HydrophobicContact CD1-CD1 3.87Å; F82-L86 HydrophobicContact CD1-CG 4.3Å; F82-L86 HydrophobicContact CE1-CD1 3.3Å; F82-L86 HydrophobicContact CE1-CD2 4.41Å; F82-L86 HydrophobicContact CE1-CG 3.84Å; F82-L86 HydrophobicContact CE2-CD2 4.47Å; F82-L86 HydrophobicContact CE2-CG 4.28Å; F82-L86 HydrophobicContact CZ-CD1 3.72Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 3.8Å; F82-L86 PolarHBondContact O-N 3.39Å; E83-L86 PolarHBondContact O-N 3.45Å; L86-M88 VanDerWaalsContact C-N 3.34Å; L86-M88 PolarHBondContact O-N 2.91Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-S90 WeakPolarHBondContact O-CB 3.24Å; L86-S90 PolarHBondContact O-N 3.04Å
87	G	95.2	Very high	94.2	Very high	25 Å²	25	37.5 Å²	37.5	26%	0.258	21%	0.206	S	C	.	.	H	α-helix	trans	-59.3	-45.5	176.5	0	0	0	0	0	111.7	E83 D84 S90 V91	E83-G87 PolarHBondContact O-N 2.86Å; D84-G87 PolarHBondContact O-N 2.93Å; G87-S90 WeakPolarHBondContact O-CB 3.46Å; G87-S90 PolarHBondContact O-N 2.9Å; G87-V91 WeakPolarHBondContact O-CG2 3.44Å; G87-V91 PolarHBondContact O-N 3.07Å
88	M	95.6	Very high	94.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-53.5	174.1	-175.8	178.4	59.4	0	0	111.9	V55 L61 I70 F74 F80 D84 V85 L86 S90 V91 F92 F182	V55-M88 HydrophobicContact CG1-CE 3.79Å; V55-M88 HydrophobicContact CG1-SD 4.41Å; L61-M88 HydrophobicContact CD1-CE 4.18Å; L61-M88 HydrophobicContact CD1-SD 4.07Å; I70-M88 HydrophobicContact CG2-CG 4.32Å; I70-M88 HydrophobicContact CG2-SD 3.76Å; F74-M88 HydrophobicContact CB-CB 4.16Å; F74-M88 HydrophobicContact CB-CG 4.45Å; F74-M88 HydrophobicContact CD1-CB 3.7Å; F74-M88 HydrophobicContact CD1-CG 4.3Å; F74-M88 HydrophobicContact CD2-CB 4.1Å; F74-M88 HydrophobicContact CD2-CG 3.79Å; F74-M88 HydrophobicContact CD2-SD 4.37Å; F74-M88 HydrophobicContact CE1-CB 4.05Å; F74-M88 HydrophobicContact CE2-CB 4.43Å; F74-M88 HydrophobicContact CE2-CG 4.04Å; F74-M88 HydrophobicContact CG-CB 3.73Å; F74-M88 HydrophobicContact CG-CG 3.93Å; F74-M88 HydrophobicContact CZ-CB 4.39Å; F74-M88 HydrophobicContact CZ-CG 4.38Å; F80-M88 HydrophobicContact CE1-SD 4.44Å; D84-M88 WeakPolarHBondContact O-CB 3.27Å; D84-M88 PolarHBondContact O-N 3.04Å; V85-M88 HydrophobicContact CG1-CE 4.46Å; V85-M88 PolarHBondContact O-N 3.32Å; L86-M88 VanDerWaalsContact C-N 3.34Å; L86-M88 PolarHBondContact O-N 2.91Å; M88-S90 VanDerWaalsContact C-N 3.26Å; M88-S90 PolarHBondContact O-N 3.43Å; M88-V91 PolarHBondContact O-N 2.96Å; M88-F92 HydrophobicContact CG-CD2 4.12Å; M88-F92 HydrophobicContact CG-CE2 4.11Å; M88-F92 VanDerWaalsContact O-CD2 3.25Å; M88-F92 WeakPolarHBondContact O-CD2 3.26Å; M88-F92 PolarHBondContact O-N 3.37Å; M88-F182 HydrophobicContact CE-CD1 4.33Å; M88-F182 HydrophobicContact CE-CE1 3.54Å; M88-F182 HydrophobicContact CE-CZ 3.88Å; M88-F182 HydrophobicContact CG-CE1 4.36Å; M88-F182 HydrophobicContact CG-CE2 4.32Å; M88-F182 HydrophobicContact CG-CZ 3.71Å; M88-F182 HydrophobicContact SD-CE1 3.96Å; M88-F182 HydrophobicContact SD-CZ 3.81Å
89	A	94.5	Very high	94.1	Very high	4 Å²	4	32 Å²	32	3%	0.033	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-37.4	178.8	0	0	0	0	0	112.2	L23 I31 V85 L86 F92 S93	L23-A89 HydrophobicContact CD1-CB 4.09Å; L23-A89 HydrophobicContact CD2-CB 4.27Å; I31-A89 HydrophobicContact CD1-CB 3.67Å; V85-A89 WeakPolarHBondContact O-CB 3.45Å; V85-A89 PolarHBondContact O-N 3.14Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-F92 PolarHBondContact O-N 3.08Å; A89-S93 PolarHBondContact O-N 3.15Å
90	S	95.2	Very high	94	Very high	8 Å²	8	31.4 Å²	31.4	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-46.2	178.1	-174.6	0	0	0	0	111.6	T21 F22 L86 G87 M88 F92 S93 A96	T21-S90 WeakPolarHBondContact CA-OG 2.95Å; T21-S90 WeakPolarHBondContact CB-OG 3.25Å; F22-S90 WeakPolarHBondContact CD2-OG 3.29Å; F22-S90 PolarHBondContact N-OG 3.31Å; L86-S90 WeakPolarHBondContact O-CB 3.24Å; L86-S90 PolarHBondContact O-N 3.04Å; G87-S90 WeakPolarHBondContact O-CB 3.46Å; G87-S90 PolarHBondContact O-N 2.9Å; M88-S90 VanDerWaalsContact C-N 3.26Å; M88-S90 PolarHBondContact O-N 3.43Å; S90-F92 PolarHBondContact O-N 3.45Å; S90-S93 WeakPolarHBondContact O-CB 3.36Å; S90-S93 PolarHBondContact O-N 3.35Å; S90-A96 WeakPolarHBondContact O-CB 3.23Å
91	V	95.6	Very high	93.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-41.5	178.9	169.1	0	0	0	0	112.1	F74 G87 M88 S93 L100 K101 Y104 F178	F74-V91 HydrophobicContact CE1-CB 4.2Å; F74-V91 HydrophobicContact CE1-CG2 3.82Å; F74-V91 HydrophobicContact CZ-CB 3.79Å; F74-V91 HydrophobicContact CZ-CG1 4Å; F74-V91 HydrophobicContact CZ-CG2 3.82Å; G87-V91 WeakPolarHBondContact O-CG2 3.44Å; G87-V91 PolarHBondContact O-N 3.07Å; M88-V91 PolarHBondContact O-N 2.96Å; V91-S93 VanDerWaalsContact C-N 3.27Å; V91-S93 PolarHBondContact O-N 2.82Å; V91-L100 HydrophobicContact CG2-CD2 4.09Å; V91-L100 HydrophobicContact CG2-CG 4.17Å; V91-K101 WeakPolarHBondContact O-CE 3.28Å; V91-Y104 HydrophobicContact CB-CD2 4.43Å; V91-Y104 HydrophobicContact CB-CG 4.43Å; V91-Y104 HydrophobicContact CG1-CD1 4.44Å; V91-Y104 HydrophobicContact CG1-CD2 3.97Å; V91-Y104 HydrophobicContact CG1-CG 3.75Å; V91-Y104 HydrophobicContact CG2-CD1 4.24Å; V91-Y104 HydrophobicContact CG2-CD2 3.54Å; V91-Y104 HydrophobicContact CG2-CE1 4.24Å; V91-Y104 HydrophobicContact CG2-CE2 3.55Å; V91-Y104 HydrophobicContact CG2-CG 3.89Å; V91-F178 HydrophobicContact CG1-CE1 4.05Å
92	F	94.4	Very high	93.9	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-81.5	-3.8	-180	-72.9	-68.2	0	0	0	114	I70 F74 M88 A89 S90 I108 F178 I180 F182	I70-F92 HydrophobicContact CD1-CZ 3.97Å; I70-F92 HydrophobicContact CG1-CZ 4.05Å; I70-F92 HydrophobicContact CG2-CE2 3.92Å; I70-F92 HydrophobicContact CG2-CZ 4.28Å; F74-F92 AromaticContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CZ-CE2 4.36Å; M88-F92 HydrophobicContact CG-CD2 4.12Å; M88-F92 HydrophobicContact CG-CE2 4.11Å; M88-F92 VanDerWaalsContact O-CD2 3.25Å; M88-F92 WeakPolarHBondContact O-CD2 3.26Å; M88-F92 PolarHBondContact O-N 3.37Å; A89-F92 PolarHBondContact O-N 3.08Å; S90-F92 PolarHBondContact O-N 3.45Å; F92-I108 HydrophobicContact CZ-CD1 4.01Å; F92-F178 HydrophobicContact CD1-CD1 4.08Å; F92-F178 AromaticContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CZ 4.38Å; F92-F178 HydrophobicContact CE1-CD1 4.02Å; F92-F178 HydrophobicContact CE1-CD2 4.5Å; F92-F178 AromaticContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE2 4.06Å; F92-F178 HydrophobicContact CE1-CG 4.48Å; F92-F178 AromaticContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CZ-CE1 4.26Å; F92-F178 HydrophobicContact CZ-CZ 4.03Å; F92-I180 HydrophobicContact CB-CB 4Å; F92-I180 HydrophobicContact CB-CG1 4.44Å; F92-I180 HydrophobicContact CD1-CB 4.18Å; F92-I180 HydrophobicContact CD1-CD1 3.79Å; F92-I180 HydrophobicContact CD1-CG1 3.65Å; F92-I180 HydrophobicContact CD2-CD1 4.05Å; F92-I180 HydrophobicContact CD2-CG1 4.49Å; F92-I180 HydrophobicContact CE1-CD1 3.65Å; F92-I180 HydrophobicContact CE1-CG1 3.96Å; F92-I180 HydrophobicContact CE2-CD1 3.93Å; F92-I180 HydrophobicContact CG-CB 4.01Å; F92-I180 HydrophobicContact CG-CD1 3.99Å; F92-I180 HydrophobicContact CG-CG1 3.95Å; F92-I180 HydrophobicContact CZ-CD1 3.72Å; F92-I180 HydrophobicContact CZ-CG1 4.5Å; F92-F182 HydrophobicContact CB-CD2 4.36Å; F92-F182 HydrophobicContact CB-CE2 3.75Å; F92-F182 AromaticContact CD2-CE2 3.48Å; F92-F182 HydrophobicContact CD2-CE2 3.48Å; F92-F182 VanDerWaalsContact CD2-CE2 3.48Å; F92-F182 AromaticContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CE2-CE2 4.36Å; F92-F182 HydrophobicContact CE2-CZ 4.25Å; F92-F182 AromaticContact CG-CE2 3.85Å; F92-F182 HydrophobicContact CG-CE2 3.85Å
93	S	92.6	Very high	94	Very high	10 Å²	10	34 Å²	34	7%	0.07	19%	0.189	C	C	.	.	S	Bend	trans	-58.4	146.9	175.3	178.9	0	0	0	0	111.2	F22 A89 S90 V91 Q95 A96 K101	F22-S93 PolarHBondContact O-OG 3.01Å; A89-S93 PolarHBondContact O-N 3.15Å; S90-S93 WeakPolarHBondContact O-CB 3.36Å; S90-S93 PolarHBondContact O-N 3.35Å; V91-S93 VanDerWaalsContact C-N 3.27Å; V91-S93 PolarHBondContact O-N 2.82Å; S93-Q95 PolarHBondContact O-N 3.22Å; S93-Q95 PolarHBondContact OG-N 3.04Å; S93-Q95 VanDerWaalsContact OG-N 3.15Å; S93-A96 PolarHBondContact O-N 3.45Å; S93-K101 WeakPolarHBondContact O-CE 3.15Å; S93-K101 PolarHBondContact O-NZ 3.45Å
94	E	89.9	Confident	94.1	Very high	126 Å²	126	32.8 Å²	32.8	59%	0.589	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.6	170.4	177.7	163.4	-150.2	0	0	112.1	A96 R179	E94-A96 VanDerWaalsContact C-N 3.32Å; E94-R179 IonicContact OE1-CZ 3.7Å; E94-R179 IonicContact OE1-NH1 2.73Å; E94-R179 PolarHBondContact OE1-NH1 3.22Å; E94-R179 IonicContact OE1-NH2 3.82Å; E94-R179 IonicContact OE2-NH1 3.9Å
95	Q	91.1	Very high	94	Very high	120 Å²	120	31.8 Å²	31.8	56%	0.561	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.8	-177	-61.1	178.2	25.4	0	0	113.5	F22 S93	F22-Q95 HydrophobicContact CB-CB 4.13Å; F22-Q95 VanDerWaalsContact CD1-O 3.26Å; F22-Q95 WeakPolarHBondContact CD1-O 3.26Å; S93-Q95 PolarHBondContact O-N 3.22Å; S93-Q95 PolarHBondContact OG-N 3.04Å; S93-Q95 VanDerWaalsContact OG-N 3.15Å
96	A	92.6	Very high	94.2	Very high	6 Å²	6	32.3 Å²	32.3	5%	0.05	18%	0.179	C	C	.	.	S	Bend	trans	-67.3	142	179.8	0	0	0	0	0	112.3	F22 S90 S93 E94 K101	F22-A96 HydrophobicContact CB-CB 4.26Å; F22-A96 HydrophobicContact CD2-CB 3.76Å; F22-A96 HydrophobicContact CE2-CB 4.3Å; F22-A96 HydrophobicContact CG-CB 3.99Å; S90-A96 WeakPolarHBondContact O-CB 3.23Å; S93-A96 PolarHBondContact O-N 3.45Å; E94-A96 VanDerWaalsContact C-N 3.32Å; A96-K101 HydrophobicContact CB-CG 4.31Å
97	C	92.3	Very high	94.3	Very high	46 Å²	46	37.7 Å²	37.7	31%	0.311	20%	0.199	S	C	.	.			trans	-66.6	147.4	-178.9	60.6	0	0	0	0	111.9	S99 L100 K101	C97-S99 VanDerWaalsContact C-N 3.34Å; C97-S99 PolarHBondContact O-N 3.3Å; C97-L100 PolarHBondContact O-N 2.96Å; C97-L100 WeakPolarHBondContact SG-CB 3.44Å; C97-K101 PolarHBondContact O-N 2.94Å
98	P	91.4	Very high	94.4	Very high	74 Å²	74	36.6 Å²	36.6	48%	0.481	19%	0.187	S	C	.	.	H	α-helix	trans	-55.2	-44.2	-179.5	-26.8	34	0	0	0	114.5	L100 K101 I102 M175	P98-L100 VanDerWaalsContact C-N 3.3Å; P98-L100 PolarHBondContact O-N 3.36Å; P98-K101 PolarHBondContact O-N 3.21Å; P98-K101 VanDerWaalsContact O-N 3.14Å; P98-I102 VanDerWaalsContact O-CG1 3.3Å; P98-I102 WeakPolarHBondContact O-CG1 3.34Å; P98-I102 PolarHBondContact O-N 3.18Å; P98-M175 HydrophobicContact CB-CE 3.77Å; P98-M175 HydrophobicContact CB-SD 3.8Å; P98-M175 HydrophobicContact CG-CE 3.82Å; P98-M175 HydrophobicContact CG-SD 4.42Å
99	S	93	Very high	94.4	Very high	63 Å²	63	38.3 Å²	38.3	44%	0.441	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-40.8	-178.8	56.7	0	0	0	0	112.4	C97 I102 E103	C97-S99 VanDerWaalsContact C-N 3.34Å; C97-S99 PolarHBondContact O-N 3.3Å; S99-I102 PolarHBondContact O-N 2.85Å; S99-E103 WeakPolarHBondContact O-CB 3.29Å; S99-E103 PolarHBondContact O-N 3.49Å
100	L	94.2	Very high	94.6	Very high	36 Å²	36	38.7 Å²	38.7	19%	0.188	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-42.6	176.9	-177	69.4	0	0	0	111.4	F22 V91 C97 P98 E103 Y104	F22-L100 HydrophobicContact CD2-CD2 4.12Å; F22-L100 HydrophobicContact CE2-CD2 3.54Å; V91-L100 HydrophobicContact CG2-CD2 4.09Å; V91-L100 HydrophobicContact CG2-CG 4.17Å; C97-L100 PolarHBondContact O-N 2.96Å; C97-L100 WeakPolarHBondContact SG-CB 3.44Å; P98-L100 VanDerWaalsContact C-N 3.3Å; P98-L100 PolarHBondContact O-N 3.36Å; L100-E103 PolarHBondContact O-N 3.33Å; L100-Y104 HydrophobicContact CD1-CD2 3.82Å; L100-Y104 HydrophobicContact CD1-CE2 3.59Å; L100-Y104 HydrophobicContact CG-CD2 4.15Å; L100-Y104 HydrophobicContact CG-CE2 4.29Å; L100-Y104 WeakPolarHBondContact O-CD2 3.2Å; L100-Y104 PolarHBondContact O-N 3.12Å; L100-Y104 VanDerWaalsContact O-N 3.07Å
101	K	94.4	Very high	94.7	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-44.5	177.8	-67.2	-165.8	-178.9	-163.9	0	111.7	V91 S93 A96 C97 P98 E103 Y104 A105 M175 F178	V91-K101 WeakPolarHBondContact O-CE 3.28Å; S93-K101 WeakPolarHBondContact O-CE 3.15Å; S93-K101 PolarHBondContact O-NZ 3.45Å; A96-K101 HydrophobicContact CB-CG 4.31Å; C97-K101 PolarHBondContact O-N 2.94Å; P98-K101 PolarHBondContact O-N 3.21Å; P98-K101 VanDerWaalsContact O-N 3.14Å; K101-E103 VanDerWaalsContact C-N 3.35Å; K101-Y104 PolarHBondContact O-N 3.4Å; K101-A105 VanDerWaalsContact O-CB 3.23Å; K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 2.63Å; K101-M175 HydrophobicContact CB-SD 4.49Å; K101-M175 HydrophobicContact CD-CE 3.7Å; K101-M175 HydrophobicContact CD-SD 4.39Å; K101-M175 HydrophobicContact CG-CE 4.5Å; K101-F178 HydrophobicContact CB-CD1 3.87Å; K101-F178 HydrophobicContact CB-CE1 4.25Å; K101-F178 HydrophobicContact CD-CD1 4.09Å; K101-F178 HydrophobicContact CG-CD1 4.12Å; K101-F178 PolarHBondContact NZ-O 2.95Å
102	I	95.2	Very high	94.7	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-45.3	177.9	-68.3	169.2	0	0	0	110.3	P98 S99 Y104 A105 F106 F161 F164 E165 M168 F174	P98-I102 VanDerWaalsContact O-CG1 3.3Å; P98-I102 WeakPolarHBondContact O-CG1 3.34Å; P98-I102 PolarHBondContact O-N 3.18Å; S99-I102 PolarHBondContact O-N 2.85Å; I102-Y104 PolarHBondContact O-N 2.76Å; I102-A105 PolarHBondContact O-N 3.28Å; I102-F106 WeakPolarHBondContact O-CB 3.19Å; I102-F106 PolarHBondContact O-N 2.82Å; I102-F161 HydrophobicContact CG2-CE2 4.09Å; I102-F161 HydrophobicContact CG2-CZ 4.38Å; I102-F164 HydrophobicContact CG2-CD1 3.93Å; I102-F164 HydrophobicContact CG2-CE1 4.06Å; I102-E165 HydrophobicContact CD1-CG 4.41Å; I102-E165 HydrophobicContact CG2-CB 4Å; I102-E165 HydrophobicContact CG2-CG 4.22Å; I102-M168 HydrophobicContact CD1-CB 3.96Å; I102-M168 HydrophobicContact CG1-CB 3.92Å; I102-M168 HydrophobicContact CG1-CG 4.46Å; I102-F174 HydrophobicContact CG1-CE1 3.97Å
103	E	96.1	Very high	94.7	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	24%	0.238	S	C	.	.	H	α-helix	trans	-57.8	-48.1	177.2	-171.7	-175.4	167.2	0	0	112.6	S99 L100 K101 F106 R107 F161	S99-E103 WeakPolarHBondContact O-CB 3.29Å; S99-E103 PolarHBondContact O-N 3.49Å; L100-E103 PolarHBondContact O-N 3.33Å; K101-E103 VanDerWaalsContact C-N 3.35Å; E103-F106 WeakPolarHBondContact O-CB 3.34Å; E103-F106 PolarHBondContact O-N 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.33Å; E103-R107 PolarHBondContact O-N 3.46Å; E103-R107 IonicContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.09Å; E103-R107 IonicContact OE1-NH2 2.69Å; E103-R107 PolarHBondContact OE1-NH2 3.09Å; E103-F161 HydrophobicContact CB-CE2 4.27Å; E103-F161 HydrophobicContact CB-CZ 4.36Å
104	Y	96.5	Very high	94.9	Very high	49 Å²	49	50.6 Å²	50.6	19%	0.192	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-34.9	179	-86.8	-89.6	0	0	0	113	V73 F74 V91 L100 K101 I102 F106 R107 I108	V73-Y104 HydrophobicContact CG1-CD1 3.76Å; V73-Y104 HydrophobicContact CG1-CE1 4.05Å; F74-Y104 HydrophobicContact CD1-CD1 4.39Å; F74-Y104 AromaticContact CD1-CE1 3.82Å; F74-Y104 HydrophobicContact CD1-CE1 3.82Å; F74-Y104 AromaticContact CE1-CD1 3.51Å; F74-Y104 HydrophobicContact CE1-CD1 3.51Å; F74-Y104 AromaticContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CG 4.43Å; F74-Y104 AromaticContact CE1-CZ 3.82Å; F74-Y104 AromaticContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CE1 4.19Å; F74-Y104 AromaticContact CZ-CD1 3.15Å; F74-Y104 HydrophobicContact CZ-CD1 3.15Å; F74-Y104 AromaticContact CZ-CE1 3.37Å; F74-Y104 HydrophobicContact CZ-CE1 3.37Å; F74-Y104 AromaticContact CZ-CG 3.93Å; F74-Y104 HydrophobicContact CZ-CG 3.93Å; V91-Y104 HydrophobicContact CB-CD2 4.43Å; V91-Y104 HydrophobicContact CB-CG 4.43Å; V91-Y104 HydrophobicContact CG1-CD1 4.44Å; V91-Y104 HydrophobicContact CG1-CD2 3.97Å; V91-Y104 HydrophobicContact CG1-CG 3.75Å; V91-Y104 HydrophobicContact CG2-CD1 4.24Å; V91-Y104 HydrophobicContact CG2-CD2 3.54Å; V91-Y104 HydrophobicContact CG2-CE1 4.24Å; V91-Y104 HydrophobicContact CG2-CE2 3.55Å; V91-Y104 HydrophobicContact CG2-CG 3.89Å; L100-Y104 HydrophobicContact CD1-CD2 3.82Å; L100-Y104 HydrophobicContact CD1-CE2 3.59Å; L100-Y104 HydrophobicContact CG-CD2 4.15Å; L100-Y104 HydrophobicContact CG-CE2 4.29Å; L100-Y104 WeakPolarHBondContact O-CD2 3.2Å; L100-Y104 PolarHBondContact O-N 3.12Å; L100-Y104 VanDerWaalsContact O-N 3.07Å; K101-Y104 PolarHBondContact O-N 3.4Å; I102-Y104 PolarHBondContact O-N 2.76Å; Y104-F106 VanDerWaalsContact C-N 3.32Å; Y104-R107 PolarHBondContact O-N 3.03Å; Y104-I108 WeakPolarHBondContact O-CB 3.47Å; Y104-I108 WeakPolarHBondContact O-CD1 3.34Å; Y104-I108 VanDerWaalsContact O-CG1 3.27Å; Y104-I108 WeakPolarHBondContact O-CG1 3.21Å; Y104-I108 PolarHBondContact O-N 2.97Å
105	A	95.9	Very high	95.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-42.8	175	0	0	0	0	0	111.3	K101 I102 R107 I108 Y109 F164 F174 F178	K101-A105 VanDerWaalsContact O-CB 3.23Å; K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 2.63Å; I102-A105 PolarHBondContact O-N 3.28Å; A105-R107 PolarHBondContact O-N 2.97Å; A105-I108 PolarHBondContact O-N 2.85Å; A105-I108 VanDerWaalsContact O-N 3.11Å; A105-Y109 HydrophobicContact CB-CE2 4.33Å; A105-Y109 WeakPolarHBondContact O-CB 3.2Å; A105-Y109 WeakPolarHBondContact O-CD2 3.48Å; A105-Y109 VanDerWaalsContact O-CG 3.28Å; A105-Y109 PolarHBondContact O-N 2.8Å; A105-F164 HydrophobicContact CB-CE1 4.25Å; A105-F164 HydrophobicContact CB-CZ 4.3Å; A105-F174 HydrophobicContact CB-CE2 4.03Å; A105-F174 HydrophobicContact CB-CZ 3.48Å; A105-F174 VanDerWaalsContact CB-CZ 3.48Å; A105-F178 HydrophobicContact CB-CD2 3.88Å; A105-F178 HydrophobicContact CB-CE1 4.46Å; A105-F178 HydrophobicContact CB-CE2 3.36Å; A105-F178 HydrophobicContact CB-CZ 3.69Å
106	F	97.2	Very high	95.5	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-50.6	173.9	-173.6	-96.5	0	0	0	111.3	I102 E103 Y104 I108 Y109 D110 G115 I117 F161 F164	I102-F106 WeakPolarHBondContact O-CB 3.19Å; I102-F106 PolarHBondContact O-N 2.82Å; E103-F106 WeakPolarHBondContact O-CB 3.34Å; E103-F106 PolarHBondContact O-N 3.32Å; Y104-F106 VanDerWaalsContact C-N 3.32Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.97Å; F106-Y109 PolarHBondContact O-N 3.27Å; F106-D110 WeakPolarHBondContact O-CB 3.35Å; F106-D110 PolarHBondContact O-N 3.03Å; F106-G115 WeakPolarHBondContact CE1-O 3.42Å; F106-G115 WeakPolarHBondContact CZ-O 3.43Å; F106-I117 HydrophobicContact CD2-CD1 3.52Å; F106-I117 HydrophobicContact CD2-CG1 3.92Å; F106-I117 HydrophobicContact CE2-CD1 3.79Å; F106-I117 HydrophobicContact CE2-CG1 3.73Å; F106-I117 HydrophobicContact CG-CD1 4.36Å; F106-I117 HydrophobicContact CZ-CG1 4.34Å; F106-F161 HydrophobicContact CB-CD2 4.04Å; F106-F161 HydrophobicContact CB-CE2 4.31Å; F106-F161 HydrophobicContact CD1-CD2 4.1Å; F106-F161 HydrophobicContact CD2-CD2 4.13Å; F106-F161 HydrophobicContact CE1-CB 4.35Å; F106-F161 HydrophobicContact CE2-CB 4.35Å; F106-F161 AromaticContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CZ-CB 4.19Å; F106-F164 HydrophobicContact CB-CD1 3.92Å; F106-F164 HydrophobicContact CB-CE1 4.01Å; F106-F164 HydrophobicContact CD2-CB 3.69Å; F106-F164 AromaticContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD2 4.36Å; F106-F164 HydrophobicContact CD2-CE1 4.42Å; F106-F164 AromaticContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CE2-CB 3.97Å; F106-F164 HydrophobicContact CE2-CG 4.35Å; F106-F164 HydrophobicContact CG-CD1 4.3Å
107	R	97.5	Very high	95.7	Very high	115 Å²	115	44 Å²	44	43%	0.434	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-33.7	176.6	-63.7	178.8	-170.6	-164.5	4.6	113.3	R69 V73 E103 Y104 A105 Y109	R69-R107 PolarHBondContact NH2-O 2.98Å; V73-R107 HydrophobicContact CG1-CB 4.03Å; V73-R107 HydrophobicContact CG2-CB 4.03Å; V73-R107 WeakPolarHBondContact CG2-O 3.43Å; E103-R107 WeakPolarHBondContact O-CG 3.33Å; E103-R107 PolarHBondContact O-N 3.46Å; E103-R107 IonicContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.09Å; E103-R107 IonicContact OE1-NH2 2.69Å; E103-R107 PolarHBondContact OE1-NH2 3.09Å; Y104-R107 PolarHBondContact O-N 3.03Å; A105-R107 PolarHBondContact O-N 2.97Å; R107-Y109 VanDerWaalsContact C-N 3.28Å
108	I	97.1	Very high	95.9	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-71.1	-27.3	176.1	-73.9	162.3	0	0	0	111.4	F66 R69 I70 V73 F92 Y104 A105 F106 F178	F66-I108 HydrophobicContact CB-CG2 4.05Å; F66-I108 HydrophobicContact CG-CG2 4.42Å; R69-I108 HydrophobicContact CB-CG2 3.97Å; R69-I108 WeakPolarHBondContact CB-O 3.44Å; R69-I108 PolarHBondContact NH1-O 3.22Å; I70-I108 HydrophobicContact CG1-CD1 3.9Å; I70-I108 HydrophobicContact CG1-CG1 4.33Å; I70-I108 HydrophobicContact CG1-CG2 4.43Å; V73-I108 HydrophobicContact CB-CG1 4.33Å; V73-I108 HydrophobicContact CG2-CG1 3.97Å; F92-I108 HydrophobicContact CZ-CD1 4.01Å; Y104-I108 WeakPolarHBondContact O-CB 3.47Å; Y104-I108 WeakPolarHBondContact O-CD1 3.34Å; Y104-I108 VanDerWaalsContact O-CG1 3.27Å; Y104-I108 WeakPolarHBondContact O-CG1 3.21Å; Y104-I108 PolarHBondContact O-N 2.97Å; A105-I108 PolarHBondContact O-N 2.85Å; A105-I108 VanDerWaalsContact O-N 3.11Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.97Å; I108-F178 HydrophobicContact CD1-CE2 4.27Å; I108-F178 HydrophobicContact CD1-CZ 3.85Å
109	Y	96.8	Very high	96.1	Very high	35 Å²	35	43.4 Å²	43.4	14%	0.137	22%	0.218	C	C	.	.	H	α-helix	trans	-95.1	-28.7	-175.9	-70.8	-22.4	0	0	0	114.3	F66 A105 F106 R107 F111 I125 F164	F66-Y109 HydrophobicContact CD1-CD1 4.32Å; F66-Y109 HydrophobicContact CD1-CE1 4.09Å; F66-Y109 HydrophobicContact CD2-CE1 4.4Å; F66-Y109 HydrophobicContact CE1-CD1 4.09Å; F66-Y109 AromaticContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE2-CE1 4.14Å; F66-Y109 HydrophobicContact CG-CE1 4.38Å; F66-Y109 AromaticContact CZ-CE1 3.84Å; F66-Y109 HydrophobicContact CZ-CE1 3.84Å; A105-Y109 HydrophobicContact CB-CE2 4.33Å; A105-Y109 WeakPolarHBondContact O-CB 3.2Å; A105-Y109 WeakPolarHBondContact O-CD2 3.48Å; A105-Y109 VanDerWaalsContact O-CG 3.28Å; A105-Y109 PolarHBondContact O-N 2.8Å; F106-Y109 PolarHBondContact O-N 3.27Å; R107-Y109 VanDerWaalsContact C-N 3.28Å; Y109-F111 WeakPolarHBondContact O-CD2 3.44Å; Y109-F111 VanDerWaalsContact O-CE2 3.25Å; Y109-F111 WeakPolarHBondContact O-CE2 3.11Å; Y109-F111 PolarHBondContact O-N 3.03Å; Y109-F111 VanDerWaalsContact O-N 3.08Å; Y109-I125 HydrophobicContact CD1-CD1 3.87Å; Y109-I125 HydrophobicContact CD1-CG1 3.87Å; Y109-I125 HydrophobicContact CD2-CD1 4.25Å; Y109-I125 HydrophobicContact CE1-CG1 4.49Å; Y109-I125 HydrophobicContact CE1-CG2 4.38Å; Y109-I125 HydrophobicContact CG-CD1 3.63Å; Y109-I125 HydrophobicContact CG-CG1 4.18Å; Y109-F164 AromaticContact CD2-CE2 3.95Å; Y109-F164 HydrophobicContact CD2-CE2 3.95Å; Y109-F164 AromaticContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CE2-CE2 4.45Å; Y109-F164 HydrophobicContact CE2-CZ 4.08Å
110	D	97.6	Very high	96.2	Very high	12 Å²	12	46 Å²	46	6%	0.064	22%	0.223	C	C	.	.			trans	-71	91.1	171.8	168.8	4	0	0	0	110.7	R69 F106 N112 E113 N114 G115 F116 I117	R69-D110 VanDerWaalsContact CZ-O 3.31Å; R69-D110 PolarHBondContact NH1-O 3.31Å; R69-D110 PolarHBondContact NH2-O 3.31Å; F106-D110 WeakPolarHBondContact O-CB 3.35Å; F106-D110 PolarHBondContact O-N 3.03Å; D110-N112 PolarHBondContact OD1-OD1 2.82Å; D110-E113 WeakPolarHBondContact OD1-CA 3.45Å; D110-E113 PolarHBondContact OD1-N 3.23Å; D110-E113 WeakPolarHBondContact OD2-CA 3.48Å; D110-N114 PolarHBondContact OD1-N 2.79Å; D110-N114 VanDerWaalsContact OD1-N 3.09Å; D110-N114 PolarHBondContact OD2-N 3.33Å; D110-G115 WeakPolarHBondContact OD2-CA 3.35Å; D110-G115 PolarHBondContact OD2-N 2.71Å; D110-F116 WeakPolarHBondContact CB-O 3.46Å; D110-F116 VanDerWaalsContact CG-O 3.23Å; D110-I117 HydrophobicContact CB-CG1 4.41Å
111	F	96.6	Very high	96.3	Very high	27 Å²	27	44.4 Å²	44.4	12%	0.118	21%	0.214	C	C	.	.	S	Bend	trans	-74	-28.4	-173.8	-67.3	-101.1	0	0	0	114.6	F66 R69 Y109 E113 D121 R124 I125 R128	F66-F111 HydrophobicContact CD1-CZ 4.32Å; F66-F111 HydrophobicContact CE1-CZ 4.35Å; R69-F111 VanDerWaalsContact CD-CE1 3.48Å; R69-F111 HydrophobicContact CG-CD1 3.95Å; R69-F111 HydrophobicContact CG-CE1 3.35Å; R69-F111 HydrophobicContact CG-CZ 3.93Å; R69-F111 VanDerWaalsContact NH1-CD2 3.28Å; R69-F111 VanDerWaalsContact NH1-N 3.19Å; Y109-F111 WeakPolarHBondContact O-CD2 3.44Å; Y109-F111 VanDerWaalsContact O-CE2 3.25Å; Y109-F111 WeakPolarHBondContact O-CE2 3.11Å; Y109-F111 PolarHBondContact O-N 3.03Å; Y109-F111 VanDerWaalsContact O-N 3.08Å; F111-E113 VanDerWaalsContact C-N 3.34Å; F111-D121 WeakPolarHBondContact CA-OD1 3.38Å; F111-D121 WeakPolarHBondContact CB-OD1 3.3Å; F111-D121 HydrophobicContact CD2-CB 4.15Å; F111-D121 WeakPolarHBondContact CD2-OD1 3.27Å; F111-D121 PolarHBondContact N-OD1 2.94Å; F111-R124 HydrophobicContact CD2-CB 4.15Å; F111-R124 HydrophobicContact CE2-CB 3.95Å; F111-R124 HydrophobicContact CZ-CB 4.22Å; F111-I125 HydrophobicContact CE2-CG1 3.85Å; F111-R128 VanDerWaalsContact CE1-CZ 3.43Å
112	N	95.6	Very high	96.4	Very high	74 Å²	74	45 Å²	45	40%	0.396	22%	0.217	S	C	.	.	S	Bend	trans	-90.3	-2.4	-180	63.3	23.6	0	0	0	112.8	D110 N114 D118	D110-N112 PolarHBondContact OD1-OD1 2.82Å; N112-N114 PolarHBondContact ND2-ND2 3.17Å; N112-N114 PolarHBondContact O-N 3.43Å; N112-N114 WeakPolarHBondContact OD1-CB 3.47Å; N112-N114 PolarHBondContact OD1-N 3.29Å; N112-N114 VanDerWaalsContact OD1-N 3.12Å; N112-N114 PolarHBondContact OD1-ND2 3.15Å; N112-N114 PolarHBondContact OD1-OD1 2.85Å; N112-D118 PolarHBondContact ND2-OD2 2.9Å
113	E	95.1	Very high	96.3	Very high	106 Å²	106	46.7 Å²	46.7	50%	0.495	23%	0.225	S	C	.	.			trans	59.8	33.2	178.3	-58.2	176.8	176.7	0	0	111.9	R72 D110 F111	R72-E113 IonicContact CZ-OE1 3.15Å; R72-E113 IonicContact NE-OE1 2.76Å; R72-E113 PolarHBondContact NE-OE1 2.69Å; R72-E113 IonicContact NH2-OE1 2.78Å; R72-E113 PolarHBondContact NH2-OE1 2.89Å; R72-E113 IonicContact NH2-OE2 3.44Å; R72-E113 PolarHBondContact NH2-OE2 3.5Å; R72-E113 VanDerWaalsContact NH2-OE2 3.09Å; D110-E113 WeakPolarHBondContact OD1-CA 3.45Å; D110-E113 PolarHBondContact OD1-N 3.23Å; D110-E113 WeakPolarHBondContact OD2-CA 3.48Å; F111-E113 VanDerWaalsContact C-N 3.34Å
114	N	96	Very high	96.2	Very high	73 Å²	73	48.7 Å²	48.7	39%	0.39	23%	0.229	S	C	.	.	S	Bend	trans	-90.2	-6.8	-177.4	76.7	4.3	0	0	0	113.5	D110 N112 F116	D110-N114 PolarHBondContact OD1-N 2.79Å; D110-N114 VanDerWaalsContact OD1-N 3.09Å; D110-N114 PolarHBondContact OD2-N 3.33Å; N112-N114 PolarHBondContact ND2-ND2 3.17Å; N112-N114 PolarHBondContact O-N 3.43Å; N112-N114 WeakPolarHBondContact OD1-CB 3.47Å; N112-N114 PolarHBondContact OD1-N 3.29Å; N112-N114 VanDerWaalsContact OD1-N 3.12Å; N112-N114 PolarHBondContact OD1-ND2 3.15Å; N112-N114 PolarHBondContact OD1-OD1 2.85Å; N114-F116 WeakPolarHBondContact OD1-CA 3.44Å; N114-F116 WeakPolarHBondContact OD1-CB 3.15Å; N114-F116 PolarHBondContact OD1-N 3.2Å; N114-F116 PolarHBondContact OD1-O 3.34Å; N114-F116 VanDerWaalsContact OD1-O 3.08Å
115	G	96.8	Very high	96.1	Very high	37 Å²	37	47.1 Å²	47.1	38%	0.381	22%	0.224	S	C	.	.	S	Bend	trans	88.5	10.9	-177.7	0	0	0	0	0	114.9	F106 D110	F106-G115 WeakPolarHBondContact CE1-O 3.42Å; F106-G115 WeakPolarHBondContact CZ-O 3.43Å; D110-G115 WeakPolarHBondContact OD2-CA 3.35Å; D110-G115 PolarHBondContact OD2-N 2.71Å
116	F	97.6	Very high	96	Very high	76 Å²	76	48.1 Å²	48.1	33%	0.333	23%	0.23	S	C	.	.	S	Bend	trans	-135	159.5	177.7	-59.5	-91.1	0	0	0	109.3	D110 N114 M158 L159	D110-F116 WeakPolarHBondContact CB-O 3.46Å; D110-F116 VanDerWaalsContact CG-O 3.23Å; N114-F116 WeakPolarHBondContact OD1-CA 3.44Å; N114-F116 WeakPolarHBondContact OD1-CB 3.15Å; N114-F116 PolarHBondContact OD1-N 3.2Å; N114-F116 PolarHBondContact OD1-O 3.34Å; N114-F116 VanDerWaalsContact OD1-O 3.08Å; F116-M158 HydrophobicContact CB-CB 4.16Å; F116-M158 HydrophobicContact CB-CG 4.26Å; F116-M158 HydrophobicContact CB-SD 3.95Å; F116-M158 HydrophobicContact CD1-CG 4.02Å; F116-M158 HydrophobicContact CD1-SD 3.77Å; F116-M158 HydrophobicContact CD2-SD 4.22Å; F116-M158 HydrophobicContact CE1-SD 4.34Å; F116-M158 HydrophobicContact CG-CG 4.32Å; F116-M158 HydrophobicContact CG-SD 3.71Å; F116-L159 WeakPolarHBondContact CA-O 3.47Å
117	I	97.5	Very high	95.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	101.4	167.1	-60.4	170.2	0	0	0	106.4	F106 D110 D121 L122 I125 M158 L159 F164	F106-I117 HydrophobicContact CD2-CD1 3.52Å; F106-I117 HydrophobicContact CD2-CG1 3.92Å; F106-I117 HydrophobicContact CE2-CD1 3.79Å; F106-I117 HydrophobicContact CE2-CG1 3.73Å; F106-I117 HydrophobicContact CG-CD1 4.36Å; F106-I117 HydrophobicContact CZ-CG1 4.34Å; D110-I117 HydrophobicContact CB-CG1 4.41Å; I117-D121 HydrophobicContact CG2-CB 3.76Å; I117-L122 HydrophobicContact CG2-CD2 3.77Å; I117-L122 HydrophobicContact CG2-CG 3.9Å; I117-I125 HydrophobicContact CG2-CD1 4.18Å; I117-M158 CarbonylContact O-C 3.5Å; I117-M158 WeakPolarHBondContact O-CA 3.38Å; I117-L159 HydrophobicContact CB-CB 4.28Å; I117-L159 PolarHBondContact N-O 2.79Å; I117-L159 PolarHBondContact O-N 2.9Å; I117-F164 HydrophobicContact CD1-CD2 3.5Å; I117-F164 HydrophobicContact CD1-CE2 3.69Å; I117-F164 HydrophobicContact CD1-CG 4.06Å; I117-F164 HydrophobicContact CD1-CZ 4.38Å
118	D	96	Very high	95.6	Very high	27 Å²	27	47.4 Å²	47.4	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-179.3	-178.7	66.4	30.8	0	0	0	112.8	N112 E120 D121 L122 M158	N112-D118 PolarHBondContact ND2-OD2 2.9Å; D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.15Å; D118-E120 WeakPolarHBondContact OD1-CA 3.27Å; D118-E120 WeakPolarHBondContact OD1-CB 3.47Å; D118-E120 PolarHBondContact OD1-N 2.74Å; D118-D121 PolarHBondContact N-OD2 3.3Å; D118-D121 WeakPolarHBondContact O-CB 3.47Å; D118-D121 PolarHBondContact O-N 3.05Å; D118-D121 PolarHBondContact OD1-N 2.95Å; D118-L122 WeakPolarHBondContact O-CG 3.33Å; D118-L122 PolarHBondContact O-N 3.1Å; D118-M158 HydrophobicContact CB-CB 4.17Å
119	E	95.5	Very high	95.3	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-55.7	-42.6	177.7	-163.3	-174.4	166.3	0	0	112.4	D121 L122 Q123 T144	E119-D121 VanDerWaalsContact C-N 3.35Å; E119-D121 PolarHBondContact O-N 2.89Å; E119-L122 PolarHBondContact O-N 3.38Å; E119-Q123 WeakPolarHBondContact O-CB 3.25Å; E119-Q123 VanDerWaalsContact O-CG 3.23Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.09Å; E119-Q123 PolarHBondContact OE1-NE2 2.9Å; E119-T144 HydrophobicContact CB-CG2 4.44Å; E119-T144 HydrophobicContact CG-CG2 3.53Å
120	E	95	Very high	94.9	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-66.9	-38.4	-179.9	-65.4	-169.8	-174.2	0	0	111.4	D118 R124	D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.15Å; D118-E120 WeakPolarHBondContact OD1-CA 3.27Å; D118-E120 WeakPolarHBondContact OD1-CB 3.47Å; D118-E120 PolarHBondContact OD1-N 2.74Å; E120-R124 VanDerWaalsContact O-CG 3.28Å; E120-R124 WeakPolarHBondContact O-CG 3.37Å; E120-R124 PolarHBondContact O-N 3.18Å; E120-R124 IonicContact OE2-NH2 3.18Å
121	D	96.9	Very high	94.3	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-49	174.7	-68.2	-39.4	0	0	0	111.3	F111 I117 D118 E119 Q123 R124 I125	F111-D121 WeakPolarHBondContact CA-OD1 3.38Å; F111-D121 WeakPolarHBondContact CB-OD1 3.3Å; F111-D121 HydrophobicContact CD2-CB 4.15Å; F111-D121 WeakPolarHBondContact CD2-OD1 3.27Å; F111-D121 PolarHBondContact N-OD1 2.94Å; I117-D121 HydrophobicContact CG2-CB 3.76Å; D118-D121 PolarHBondContact N-OD2 3.3Å; D118-D121 WeakPolarHBondContact O-CB 3.47Å; D118-D121 PolarHBondContact O-N 3.05Å; D118-D121 PolarHBondContact OD1-N 2.95Å; E119-D121 VanDerWaalsContact C-N 3.35Å; E119-D121 PolarHBondContact O-N 2.89Å; D121-Q123 VanDerWaalsContact C-N 3.33Å; D121-Q123 PolarHBondContact O-N 2.78Å; D121-R124 WeakPolarHBondContact O-CB 3.48Å; D121-R124 PolarHBondContact O-N 3.36Å; D121-R124 VanDerWaalsContact O-N 3.14Å; D121-I125 VanDerWaalsContact O-CG1 3.24Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.93Å
122	L	95.4	Very high	93.4	Very high	13 Å²	13	62.3 Å²	62.3	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-45.7	177.1	-72.8	176.1	0	0	0	111.8	I117 D118 E119 R124 I125 I126 T144 V147 L148 L159	I117-L122 HydrophobicContact CG2-CD2 3.77Å; I117-L122 HydrophobicContact CG2-CG 3.9Å; D118-L122 WeakPolarHBondContact O-CG 3.33Å; D118-L122 PolarHBondContact O-N 3.1Å; E119-L122 PolarHBondContact O-N 3.38Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 3.4Å; L122-I125 HydrophobicContact CD2-CD1 4.42Å; L122-I125 WeakPolarHBondContact O-CB 3.3Å; L122-I125 PolarHBondContact O-N 2.66Å; L122-I125 VanDerWaalsContact O-N 3.17Å; L122-I126 WeakPolarHBondContact O-CG1 3.37Å; L122-I126 PolarHBondContact O-N 2.85Å; L122-T144 HydrophobicContact CB-CG2 3.72Å; L122-T144 HydrophobicContact CD1-CG2 3.95Å; L122-V147 HydrophobicContact CD1-CB 4.49Å; L122-V147 HydrophobicContact CD1-CG1 4.15Å; L122-V147 HydrophobicContact CD2-CG1 3.92Å; L122-L148 HydrophobicContact CD1-CD1 4.35Å; L122-L148 HydrophobicContact CD1-CD2 3.63Å; L122-L148 HydrophobicContact CD1-CG 3.68Å; L122-L159 HydrophobicContact CD2-CD1 4.46Å
123	Q	94.4	Very high	92.3	Very high	47 Å²	47	66.1 Å²	66.1	22%	0.22	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-44.5	176.6	-72.9	-177.6	13.3	0	0	111.4	E119 D121 I125 I126 L127 L140 T144	E119-Q123 WeakPolarHBondContact O-CB 3.25Å; E119-Q123 VanDerWaalsContact O-CG 3.23Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.09Å; E119-Q123 PolarHBondContact OE1-NE2 2.9Å; D121-Q123 VanDerWaalsContact C-N 3.33Å; D121-Q123 PolarHBondContact O-N 2.78Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 3.48Å; Q123-I126 PolarHBondContact O-N 2.79Å; Q123-L127 VanDerWaalsContact O-CG 3.29Å; Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 3.32Å; Q123-L140 HydrophobicContact CB-CD1 4Å; Q123-L140 HydrophobicContact CB-CD2 4.06Å; Q123-L140 HydrophobicContact CB-CG 4.1Å; Q123-L140 HydrophobicContact CG-CD1 4.08Å; Q123-L140 HydrophobicContact CG-CD2 4.1Å; Q123-L140 HydrophobicContact CG-CG 3.82Å; Q123-T144 HydrophobicContact CG-CG2 4.22Å; Q123-T144 VanDerWaalsContact CG-OG1 3.3Å; Q123-T144 WeakPolarHBondContact CG-OG1 3.46Å
124	R	94.4	Very high	91.3	Very high	113 Å²	113	68.5 Å²	68.5	43%	0.426	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-38.1	176.3	-72.7	173.7	-174.4	-174	9.6	112.5	F111 E120 D121 L122 R128	F111-R124 HydrophobicContact CD2-CB 4.15Å; F111-R124 HydrophobicContact CE2-CB 3.95Å; F111-R124 HydrophobicContact CZ-CB 4.22Å; E120-R124 VanDerWaalsContact O-CG 3.28Å; E120-R124 WeakPolarHBondContact O-CG 3.37Å; E120-R124 PolarHBondContact O-N 3.18Å; E120-R124 IonicContact OE2-NH2 3.18Å; D121-R124 WeakPolarHBondContact O-CB 3.48Å; D121-R124 PolarHBondContact O-N 3.36Å; D121-R124 VanDerWaalsContact O-N 3.14Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 3.4Å; R124-R128 VanDerWaalsContact O-CB 3.28Å; R124-R128 WeakPolarHBondContact O-CB 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.48Å; R124-R128 PolarHBondContact O-N 3.48Å
125	I	94.3	Very high	90.7	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.082	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-48.8	175.6	-64.6	162.2	0	0	0	109.9	F66 Y109 F111 I117 D121 L122 Q123 R128 L129	F66-I125 HydrophobicContact CE1-CB 4.47Å; F66-I125 HydrophobicContact CE1-CG1 4.3Å; F66-I125 HydrophobicContact CE1-CG2 4.33Å; F66-I125 HydrophobicContact CZ-CG2 3.99Å; Y109-I125 HydrophobicContact CD1-CD1 3.87Å; Y109-I125 HydrophobicContact CD1-CG1 3.87Å; Y109-I125 HydrophobicContact CD2-CD1 4.25Å; Y109-I125 HydrophobicContact CE1-CG1 4.49Å; Y109-I125 HydrophobicContact CE1-CG2 4.38Å; Y109-I125 HydrophobicContact CG-CD1 3.63Å; Y109-I125 HydrophobicContact CG-CG1 4.18Å; F111-I125 HydrophobicContact CE2-CG1 3.85Å; I117-I125 HydrophobicContact CG2-CD1 4.18Å; D121-I125 VanDerWaalsContact O-CG1 3.24Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.93Å; L122-I125 HydrophobicContact CD2-CD1 4.42Å; L122-I125 WeakPolarHBondContact O-CB 3.3Å; L122-I125 PolarHBondContact O-N 2.66Å; L122-I125 VanDerWaalsContact O-N 3.17Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 3.48Å; I125-R128 PolarHBondContact O-N 3.37Å; I125-L129 HydrophobicContact CG2-CD1 3.85Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.36Å
126	I	93.1	Very high	90.3	Very high	22 Å²	22	68 Å²	68	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-60.4	-50	-179.3	-69.4	163.1	0	0	0	110.8	L122 Q123 R128 L129 L130 M135 L140 L143	L122-I126 WeakPolarHBondContact O-CG1 3.37Å; L122-I126 PolarHBondContact O-N 2.85Å; Q123-I126 PolarHBondContact O-N 2.79Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.39Å; I126-L129 PolarHBondContact O-N 2.85Å; I126-L130 HydrophobicContact CG2-CD1 3.75Å; I126-L130 WeakPolarHBondContact O-CB 3.5Å; I126-L130 WeakPolarHBondContact O-CG 3.42Å; I126-L130 PolarHBondContact O-N 2.99Å; I126-M135 HydrophobicContact CG2-CE 4.05Å; I126-M135 HydrophobicContact CG2-SD 4.29Å; I126-L140 HydrophobicContact CB-CD1 4.03Å; I126-L140 HydrophobicContact CG2-CD1 3.82Å; I126-L143 HydrophobicContact CD1-CB 3.93Å; I126-L143 HydrophobicContact CG2-CD1 3.95Å
127	L	93.3	Very high	89.9	Confident	46 Å²	46	71.9 Å²	71.9	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-58.4	-42.6	178.3	-70.5	169.4	0	0	0	111.9	Q123 L130 N131 S132 M135 L140	Q123-L127 VanDerWaalsContact O-CG 3.29Å; Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 3.32Å; L127-L130 PolarHBondContact O-N 2.95Å; L127-N131 PolarHBondContact O-N 3.34Å; L127-S132 WeakPolarHBondContact CD2-O 3.44Å; L127-S132 PolarHBondContact O-N 3.18Å; L127-M135 HydrophobicContact CD2-CB 4.08Å; L127-M135 HydrophobicContact CD2-CG 4.24Å; L127-M135 HydrophobicContact CD2-SD 3.95Å; L127-L140 HydrophobicContact CD1-CD2 3.99Å; L127-L140 HydrophobicContact CD2-CD1 4.29Å; L127-L140 HydrophobicContact CD2-CD2 4.21Å; L127-L140 HydrophobicContact CG-CD1 4.02Å; L127-L140 HydrophobicContact CG-CD2 4.16Å
128	R	92.6	Very high	89.7	Confident	68 Å²	68	77.6 Å²	77.6	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-66.8	-37.9	178	-78.7	175.8	179.8	-125.8	7.5	113.1	P65 F66 D68 F111 R124 I125 I126	P65-R128 HydrophobicContact CB-CB 4.2Å; P65-R128 WeakPolarHBondContact CB-O 3.34Å; P65-R128 PolarHBondContact O-NH1 3.16Å; F66-R128 HydrophobicContact CE1-CB 4.02Å; F66-R128 HydrophobicContact CZ-CB 4.07Å; D68-R128 IonicContact OD1-CZ 3.51Å; D68-R128 IonicContact OD1-NH1 3.5Å; D68-R128 PolarHBondContact OD1-NH1 2.87Å; D68-R128 IonicContact OD1-NH2 3.81Å; D68-R128 IonicContact OD2-CZ 3.63Å; D68-R128 IonicContact OD2-NH1 3.95Å; D68-R128 PolarHBondContact OD2-NH1 2.92Å; D68-R128 IonicContact OD2-NH2 2.66Å; D68-R128 PolarHBondContact OD2-NH2 3.37Å; F111-R128 VanDerWaalsContact CE1-CZ 3.43Å; R124-R128 VanDerWaalsContact O-CB 3.28Å; R124-R128 WeakPolarHBondContact O-CB 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.48Å; R124-R128 PolarHBondContact O-N 3.48Å; I125-R128 PolarHBondContact O-N 3.37Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.39Å
129	L	90.4	Very high	89.5	Confident	108 Å²	108	80.1 Å²	80.1	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-71.6	-37.8	177.6	-73.9	173.3	0	0	0	112.3	F66 I125 I126 N131	F66-L129 HydrophobicContact CE2-CD2 3.72Å; F66-L129 HydrophobicContact CE2-CG 4.16Å; F66-L129 HydrophobicContact CZ-CD2 4.07Å; F66-L129 HydrophobicContact CZ-CG 3.98Å; I125-L129 HydrophobicContact CG2-CD1 3.85Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.36Å; I126-L129 PolarHBondContact O-N 2.85Å; L129-N131 VanDerWaalsContact C-N 3.31Å
130	L	88.8	Confident	89.4	Confident	97 Å²	97	77.1 Å²	77.1	51%	0.508	39%	0.394	S	S	.	.	H	α-helix	trans	-84	-10.2	-179.8	-64.5	175.5	0	0	0	112.8	I126 L127 S132 M135 L143	I126-L130 HydrophobicContact CG2-CD1 3.75Å; I126-L130 WeakPolarHBondContact O-CB 3.5Å; I126-L130 WeakPolarHBondContact O-CG 3.42Å; I126-L130 PolarHBondContact O-N 2.99Å; L127-L130 PolarHBondContact O-N 2.95Å; L130-S132 PolarHBondContact O-N 3.01Å; L130-M135 HydrophobicContact CB-SD 3.96Å; L130-M135 HydrophobicContact CD1-CE 3.44Å; L130-M135 VanDerWaalsContact CD1-CE 3.44Å; L130-M135 HydrophobicContact CD1-SD 3.3Å; L130-M135 WeakPolarHBondContact CD1-SD 3.45Å; L130-M135 HydrophobicContact CG-SD 4.24Å; L130-L143 HydrophobicContact CD1-CD1 4.36Å
131	N	84.4	Confident	89.3	Confident	148 Å²	148	74.1 Å²	74.1	79%	0.791	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	42.9	-177.7	-172.4	68.1	0	0	0	111.3	L127 L129	L127-N131 PolarHBondContact O-N 3.34Å; L129-N131 VanDerWaalsContact C-N 3.31Å
132	S	77.7	Confident	89.2	Confident	37 Å²	37	78.3 Å²	78.3	26%	0.259	41%	0.406	S	S	.	.			trans	-134.7	103.4	-174	-175.1	0	0	0	0	108.8	L127 L130	L127-S132 WeakPolarHBondContact CD2-O 3.44Å; L127-S132 PolarHBondContact O-N 3.18Å; L130-S132 PolarHBondContact O-N 3.01Å
133	D	73.4	Confident	89.1	Confident	154 Å²	154	80.7 Å²	80.7	82%	0.824	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.9	168.3	-62.7	-34.7	0	0	0	111.3
134	D	74	Confident	89.1	Confident	157 Å²	157	78.4 Å²	78.4	84%	0.84	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	18.9	-174.9	-64.6	-39.2	0	0	0	113.2
135	M	82.7	Confident	89.1	Confident	30 Å²	30	75 Å²	75	15%	0.148	40%	0.402	C	S	.	.			trans	-67.2	138.5	172.6	-70.4	-175.6	63.3	0	0	110.6	I126 L127 L130 E137 L139 L143	I126-M135 HydrophobicContact CG2-CE 4.05Å; I126-M135 HydrophobicContact CG2-SD 4.29Å; L127-M135 HydrophobicContact CD2-CB 4.08Å; L127-M135 HydrophobicContact CD2-CG 4.24Å; L127-M135 HydrophobicContact CD2-SD 3.95Å; L130-M135 HydrophobicContact CB-SD 3.96Å; L130-M135 HydrophobicContact CD1-CE 3.44Å; L130-M135 VanDerWaalsContact CD1-CE 3.44Å; L130-M135 HydrophobicContact CD1-SD 3.3Å; L130-M135 WeakPolarHBondContact CD1-SD 3.45Å; L130-M135 HydrophobicContact CG-SD 4.24Å; M135-E137 PolarHBondContact O-N 3.34Å; M135-L139 HydrophobicContact CE-CD2 3.89Å; M135-L139 HydrophobicContact CE-CG 3.98Å; M135-L143 HydrophobicContact CE-CD1 3.86Å
136	S	88.7	Confident	89.1	Confident	69 Å²	69	79.6 Å²	79.6	48%	0.483	42%	0.422	S	S	.	.			trans	-65.3	136.5	171.8	55.1	0	0	0	0	110.2	D138 L139 L140	S136-D138 PolarHBondContact O-N 2.95Å; S136-L139 PolarHBondContact O-N 3.12Å; S136-L139 WeakPolarHBondContact OG-CB 3.33Å; S136-L140 PolarHBondContact O-N 3.35Å; S136-L140 VanDerWaalsContact O-N 3.09Å
137	E	89.7	Confident	89	Confident	157 Å²	157	81.1 Å²	81.1	73%	0.734	43%	0.433	S	S	*	.	H	α-helix	trans	-51.9	-39.4	177.5	-170.5	173.9	-177.3	0	0	111.9	M135 L139 L140 T141	M135-E137 PolarHBondContact O-N 3.34Å; E137-L139 PolarHBondContact O-N 2.85Å; E137-L140 PolarHBondContact O-N 3.15Å; E137-T141 WeakPolarHBondContact O-CB 3.31Å; E137-T141 PolarHBondContact O-N 3.45Å; E137-T141 PolarHBondContact O-OG1 3.4Å
138	D	92.2	Very high	89.1	Confident	122 Å²	122	79.4 Å²	79.4	65%	0.652	42%	0.423	S	S	*	.	H	α-helix	trans	-58.8	-45.8	175.5	-62.5	-22.6	0	0	0	112.5	S136 T141 D142	S136-D138 PolarHBondContact O-N 2.95Å; D138-T141 PolarHBondContact O-N 3.13Å; D138-D142 WeakPolarHBondContact O-CB 3.46Å; D138-D142 PolarHBondContact O-N 2.95Å
139	L	91.8	Very high	89.2	Confident	80 Å²	80	81.9 Å²	81.9	42%	0.419	44%	0.442	S	S	.	.	H	α-helix	trans	-70.1	-38.4	-178.4	176.7	62.5	0	0	0	111	M135 S136 E137 D142 L143	M135-L139 HydrophobicContact CE-CD2 3.89Å; M135-L139 HydrophobicContact CE-CG 3.98Å; S136-L139 PolarHBondContact O-N 3.12Å; S136-L139 WeakPolarHBondContact OG-CB 3.33Å; E137-L139 PolarHBondContact O-N 2.85Å; L139-D142 PolarHBondContact O-N 3.06Å; L139-L143 HydrophobicContact CD1-CD1 4.22Å; L139-L143 HydrophobicContact CD1-CG 4.15Å; L139-L143 HydrophobicContact CG-CD1 4.15Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 2.87Å
140	L	93.2	Very high	89.2	Confident	17 Å²	17	84 Å²	84	9%	0.089	45%	0.449	C	S	.	.	H	α-helix	trans	-64.2	-44.5	177.1	-178.7	61.3	0	0	0	111.1	Q123 I126 L127 S136 E137 T144	Q123-L140 HydrophobicContact CB-CD1 4Å; Q123-L140 HydrophobicContact CB-CD2 4.06Å; Q123-L140 HydrophobicContact CB-CG 4.1Å; Q123-L140 HydrophobicContact CG-CD1 4.08Å; Q123-L140 HydrophobicContact CG-CD2 4.1Å; Q123-L140 HydrophobicContact CG-CG 3.82Å; I126-L140 HydrophobicContact CB-CD1 4.03Å; I126-L140 HydrophobicContact CG2-CD1 3.82Å; L127-L140 HydrophobicContact CD1-CD2 3.99Å; L127-L140 HydrophobicContact CD2-CD1 4.29Å; L127-L140 HydrophobicContact CD2-CD2 4.21Å; L127-L140 HydrophobicContact CG-CD1 4.02Å; L127-L140 HydrophobicContact CG-CD2 4.16Å; S136-L140 PolarHBondContact O-N 3.35Å; S136-L140 VanDerWaalsContact O-N 3.09Å; E137-L140 PolarHBondContact O-N 3.15Å; L140-T144 WeakPolarHBondContact O-CB 3.21Å; L140-T144 PolarHBondContact O-N 3.1Å; L140-T144 PolarHBondContact O-OG1 3.15Å
141	T	93.6	Very high	89.4	Confident	55 Å²	55	80.2 Å²	80.2	34%	0.337	43%	0.43	S	S	.	.	H	α-helix	trans	-64	-45.5	176.1	-53	0	0	0	0	110.7	E137 D138 L143 T144 S145	E137-T141 WeakPolarHBondContact O-CB 3.31Å; E137-T141 PolarHBondContact O-N 3.45Å; E137-T141 PolarHBondContact O-OG1 3.4Å; D138-T141 PolarHBondContact O-N 3.13Å; T141-L143 PolarHBondContact O-N 2.97Å; T141-T144 PolarHBondContact O-N 3.4Å; T141-S145 WeakPolarHBondContact O-CB 3.48Å; T141-S145 PolarHBondContact O-N 2.76Å; T141-S145 PolarHBondContact O-OG 2.99Å
142	D	94.6	Very high	89.9	Confident	89 Å²	89	73.7 Å²	73.7	48%	0.476	40%	0.395	S	S	.	.	H	α-helix	trans	-58.8	-51.3	177.8	-75.4	-16.2	0	0	0	111.2	D138 L139 T144 S145 H146	D138-D142 WeakPolarHBondContact O-CB 3.46Å; D138-D142 PolarHBondContact O-N 2.95Å; L139-D142 PolarHBondContact O-N 3.06Å; D142-T144 VanDerWaalsContact C-N 3.32Å; D142-T144 PolarHBondContact O-N 2.05Å; D142-S145 PolarHBondContact O-N 2.97Å; D142-S145 PolarHBondContact O-OG 3.22Å; D142-H146 PolarHBondContact O-CD2 3.24Å; D142-H146 PolarHBondContact O-N 3.32Å
143	L	93.6	Very high	90.6	Very high	62 Å²	62	77.2 Å²	77.2	33%	0.325	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-40.9	178.3	-71.5	173.7	0	0	0	112.3	I126 L130 M135 L139 T141 H146 V147	I126-L143 HydrophobicContact CD1-CB 3.93Å; I126-L143 HydrophobicContact CG2-CD1 3.95Å; L130-L143 HydrophobicContact CD1-CD1 4.36Å; M135-L143 HydrophobicContact CE-CD1 3.86Å; L139-L143 HydrophobicContact CD1-CD1 4.22Å; L139-L143 HydrophobicContact CD1-CG 4.15Å; L139-L143 HydrophobicContact CG-CD1 4.15Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 2.87Å; T141-L143 PolarHBondContact O-N 2.97Å; L143-H146 PolarHBondContact O-N 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 2.94Å; L143-V147 PolarHBondContact O-N 3.28Å; L143-V147 VanDerWaalsContact O-N 3.15Å
144	T	94.7	Very high	91.6	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-65.6	-45.9	178.8	-56	0	0	0	0	111.1	E119 L122 Q123 L140 T141 D142 H146 V147 L148	E119-T144 HydrophobicContact CB-CG2 4.44Å; E119-T144 HydrophobicContact CG-CG2 3.53Å; L122-T144 HydrophobicContact CB-CG2 3.72Å; L122-T144 HydrophobicContact CD1-CG2 3.95Å; Q123-T144 HydrophobicContact CG-CG2 4.22Å; Q123-T144 VanDerWaalsContact CG-OG1 3.3Å; Q123-T144 WeakPolarHBondContact CG-OG1 3.46Å; L140-T144 WeakPolarHBondContact O-CB 3.21Å; L140-T144 PolarHBondContact O-N 3.1Å; L140-T144 PolarHBondContact O-OG1 3.15Å; T141-T144 PolarHBondContact O-N 3.4Å; D142-T144 VanDerWaalsContact C-N 3.32Å; D142-T144 PolarHBondContact O-N 2.05Å; T144-H146 VanDerWaalsContact C-N 3.26Å; T144-H146 PolarHBondContact O-N 2.65Å; T144-V147 PolarHBondContact O-N 3.45Å; T144-V147 VanDerWaalsContact O-N 3.16Å; T144-L148 HydrophobicContact CG2-CD1 4.3Å; T144-L148 PolarHBondContact O-N 3.1Å
145	S	94.4	Very high	92.5	Very high	42 Å²	42	73 Å²	73	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-35.9	176.4	78.8	0	0	0	0	112.2	T141 D142 N149	T141-S145 WeakPolarHBondContact O-CB 3.48Å; T141-S145 PolarHBondContact O-N 2.76Å; T141-S145 PolarHBondContact O-OG 2.99Å; D142-S145 PolarHBondContact O-N 2.97Å; D142-S145 PolarHBondContact O-OG 3.22Å; S145-N149 VanDerWaalsContact O-CB 3.27Å; S145-N149 WeakPolarHBondContact O-CB 3.29Å; S145-N149 PolarHBondContact O-N 2.82Å; S145-N149 PolarHBondContact O-ND2 3.04Å
146	H	93.8	Very high	93.1	Very high	112 Å²	112	74.4 Å²	74.4	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-44	175.1	-81.4	-60.2	0	0	0	112.1	D142 L143 T144 E150	D142-H146 PolarHBondContact O-CD2 3.24Å; D142-H146 PolarHBondContact O-N 3.32Å; L143-H146 PolarHBondContact O-N 3.27Å; T144-H146 VanDerWaalsContact C-N 3.26Å; T144-H146 PolarHBondContact O-N 2.65Å; H146-E150 WeakPolarHBondContact O-CG 3.47Å; H146-E150 PolarHBondContact O-N 3.32Å
147	V	92.4	Very high	93.3	Very high	54 Å²	54	75.9 Å²	75.9	33%	0.327	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-45.6	177.7	174.2	0	0	0	0	111.2	L122 L143 T144 E150 S151	L122-V147 HydrophobicContact CD1-CB 4.49Å; L122-V147 HydrophobicContact CD1-CG1 4.15Å; L122-V147 HydrophobicContact CD2-CG1 3.92Å; L143-V147 WeakPolarHBondContact O-CG2 2.94Å; L143-V147 PolarHBondContact O-N 3.28Å; L143-V147 VanDerWaalsContact O-N 3.15Å; T144-V147 PolarHBondContact O-N 3.45Å; T144-V147 VanDerWaalsContact O-N 3.16Å; V147-E150 PolarHBondContact O-N 3.07Å; V147-S151 WeakPolarHBondContact O-CB 2.97Å; V147-S151 PolarHBondContact O-N 3.33Å; V147-S151 PolarHBondContact O-OG 2.83Å; V147-S151 VanDerWaalsContact O-OG 3.13Å
148	L	94.9	Very high	93.6	Very high	9 Å²	9	71 Å²	71	5%	0.047	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-51	177.6	-72	171.7	0	0	0	111	L122 T144 E150 S151 D152 N157 L159	L122-L148 HydrophobicContact CD1-CD1 4.35Å; L122-L148 HydrophobicContact CD1-CD2 3.63Å; L122-L148 HydrophobicContact CD1-CG 3.68Å; T144-L148 HydrophobicContact CG2-CD1 4.3Å; T144-L148 PolarHBondContact O-N 3.1Å; L148-E150 PolarHBondContact O-N 3.35Å; L148-S151 PolarHBondContact O-N 2.94Å; L148-D152 HydrophobicContact CB-CB 4.43Å; L148-D152 HydrophobicContact CD2-CB 4.28Å; L148-D152 WeakPolarHBondContact O-CB 3.21Å; L148-D152 PolarHBondContact O-N 2.69Å; L148-N157 HydrophobicContact CD1-CB 4.4Å; L148-L159 HydrophobicContact CD2-CD2 4.22Å; L148-L159 HydrophobicContact CD2-CG 4.31Å
149	N	93.7	Very high	93.9	Very high	121 Å²	121	65.4 Å²	65.4	65%	0.647	35%	0.347	S	S	*	.	H	α-helix	trans	-57	-26.2	179.5	-75	-39.2	0	0	0	114.2	S145	S145-N149 VanDerWaalsContact O-CB 3.27Å; S145-N149 WeakPolarHBondContact O-CB 3.29Å; S145-N149 PolarHBondContact O-N 2.82Å; S145-N149 PolarHBondContact O-ND2 3.04Å
150	E	91.9	Very high	94.1	Very high	153 Å²	153	63 Å²	63	72%	0.715	34%	0.336	S	S	*	.	H	α-helix	trans	-87	-25.5	177.9	-73	-173.3	175	0	0	113.9	H146 V147 L148	H146-E150 WeakPolarHBondContact O-CG 3.47Å; H146-E150 PolarHBondContact O-N 3.32Å; V147-E150 PolarHBondContact O-N 3.07Å; L148-E150 PolarHBondContact O-N 3.35Å
151	S	92.2	Very high	94.3	Very high	16 Å²	16	65.6 Å²	65.6	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-123.1	-33.7	-163.6	-52	0	0	0	0	114.4	V147 L148 L153	V147-S151 WeakPolarHBondContact O-CB 2.97Å; V147-S151 PolarHBondContact O-N 3.33Å; V147-S151 PolarHBondContact O-OG 2.83Å; V147-S151 VanDerWaalsContact O-OG 3.13Å; L148-S151 PolarHBondContact O-N 2.94Å; S151-L153 PolarHBondContact O-N 3.37Å
152	D	94.2	Very high	94.5	Very high	11 Å²	11	66.8 Å²	66.8	6%	0.059	36%	0.358	C	S	.	.			trans	-74.6	112.5	175.9	178.4	-4.2	0	0	0	108.8	L148 D154 N155 D156 N157 L159	L148-D152 HydrophobicContact CB-CB 4.43Å; L148-D152 HydrophobicContact CD2-CB 4.28Å; L148-D152 WeakPolarHBondContact O-CB 3.21Å; L148-D152 PolarHBondContact O-N 2.69Å; D152-D154 PolarHBondContact OD1-N 3.14Å; D152-N155 VanDerWaalsContact OD1-CA 3.26Å; D152-N155 WeakPolarHBondContact OD1-CA 3.42Å; D152-N155 PolarHBondContact OD1-N 2.82Å; D152-N155 VanDerWaalsContact OD2-CA 3.29Å; D152-N155 WeakPolarHBondContact OD2-CA 3.36Å; D152-D156 PolarHBondContact OD2-N 3.14Å; D152-N157 WeakPolarHBondContact OD2-CA 3.49Å; D152-N157 PolarHBondContact OD2-N 3.45Å; D152-L159 HydrophobicContact CB-CD2 3.95Å
153	L	92.7	Very high	94.6	Very high	111 Å²	111	63.1 Å²	63.1	58%	0.581	34%	0.338	S	S	*	.	S	Bend	trans	-94.5	-25.3	-173.4	-62.7	179.7	0	0	0	112.3	S151 E163	S151-L153 PolarHBondContact O-N 3.37Å; L153-E163 HydrophobicContact CB-CG 4.36Å; L153-E163 HydrophobicContact CD1-CG 4.27Å; L153-E163 HydrophobicContact CG-CG 4.16Å; L153-E163 PolarHBondContact N-OE1 3.19Å
154	D	95.2	Very high	94.7	Very high	104 Å²	104	60.6 Å²	60.6	56%	0.556	32%	0.324	S	S	*	.	S	Bend	trans	-103.5	-6.6	-179.2	73.7	15.6	0	0	0	114.3	D152 D156 E163	D152-D154 PolarHBondContact OD1-N 3.14Å; D154-D156 WeakPolarHBondContact OD1-CB 3.16Å; D154-D156 PolarHBondContact OD1-N 3.01Å; D154-E163 PolarHBondContact N-OE1 3.46Å
155	N	92	Very high	94.7	Very high	119 Å²	119	64.1 Å²	64.1	64%	0.636	34%	0.341	S	S	*	.			trans	65.9	37.9	176.2	-52.7	-97.9	0	0	0	113.6	D152 N157	D152-N155 VanDerWaalsContact OD1-CA 3.26Å; D152-N155 WeakPolarHBondContact OD1-CA 3.42Å; D152-N155 PolarHBondContact OD1-N 2.82Å; D152-N155 VanDerWaalsContact OD2-CA 3.29Å; D152-N155 WeakPolarHBondContact OD2-CA 3.36Å; N155-N157 VanDerWaalsContact C-N 3.32Å
156	D	95.5	Very high	94.6	Very high	60 Å²	60	66.1 Å²	66.1	32%	0.321	35%	0.345	S	S	.	.	S	Bend	trans	-87.6	0.5	174.1	76	-3.3	0	0	0	113.9	D152 D154 M158	D152-D156 PolarHBondContact OD2-N 3.14Å; D154-D156 WeakPolarHBondContact OD1-CB 3.16Å; D154-D156 PolarHBondContact OD1-N 3.01Å; D156-M158 VanDerWaalsContact C-N 3.28Å; D156-M158 WeakPolarHBondContact OD1-CG 3.41Å; D156-M158 PolarHBondContact OD1-N 3.44Å; D156-M158 VanDerWaalsContact OD2-CG 3.22Å; D156-M158 WeakPolarHBondContact OD2-CG 3.44Å
157	N	93.9	Very high	94.5	Very high	99 Å²	99	61.5 Å²	61.5	53%	0.529	33%	0.327	S	S	.	.	S	Bend	trans	65.6	22.9	-176.2	-52.3	-69.6	0	0	0	114.3	L148 D152 N155	L148-N157 HydrophobicContact CD1-CB 4.4Å; D152-N157 WeakPolarHBondContact OD2-CA 3.49Å; D152-N157 PolarHBondContact OD2-N 3.45Å; N155-N157 VanDerWaalsContact C-N 3.32Å
158	M	96.3	Very high	94.4	Very high	55 Å²	55	60.6 Å²	60.6	27%	0.271	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	161.4	169.9	57.7	-171.2	84.4	0	0	110.1	F116 I117 D118 D156	F116-M158 HydrophobicContact CB-CB 4.16Å; F116-M158 HydrophobicContact CB-CG 4.26Å; F116-M158 HydrophobicContact CB-SD 3.95Å; F116-M158 HydrophobicContact CD1-CG 4.02Å; F116-M158 HydrophobicContact CD1-SD 3.77Å; F116-M158 HydrophobicContact CD2-SD 4.22Å; F116-M158 HydrophobicContact CE1-SD 4.34Å; F116-M158 HydrophobicContact CG-CG 4.32Å; F116-M158 HydrophobicContact CG-SD 3.71Å; I117-M158 CarbonylContact O-C 3.5Å; I117-M158 WeakPolarHBondContact O-CA 3.38Å; D118-M158 HydrophobicContact CB-CB 4.17Å; D156-M158 VanDerWaalsContact C-N 3.28Å; D156-M158 WeakPolarHBondContact OD1-CG 3.41Å; D156-M158 PolarHBondContact OD1-N 3.44Å; D156-M158 VanDerWaalsContact OD2-CG 3.22Å; D156-M158 WeakPolarHBondContact OD2-CG 3.44Å
159	L	97	Very high	94.1	Very high	4 Å²	4	64 Å²	64	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.4	174.8	-56.8	179.2	0	0	0	108.9	F116 I117 L122 L148 D152 E163	F116-L159 WeakPolarHBondContact CA-O 3.47Å; I117-L159 HydrophobicContact CB-CB 4.28Å; I117-L159 PolarHBondContact N-O 2.79Å; I117-L159 PolarHBondContact O-N 2.9Å; L122-L159 HydrophobicContact CD2-CD1 4.46Å; L148-L159 HydrophobicContact CD2-CD2 4.22Å; L148-L159 HydrophobicContact CD2-CG 4.31Å; D152-L159 HydrophobicContact CB-CD2 3.95Å; L159-E163 HydrophobicContact CD2-CB 4.37Å
160	S	97.4	Very high	93.7	Very high	29 Å²	29	64.7 Å²	64.7	20%	0.203	35%	0.346	C	S	.	.			trans	-65.3	163	163.8	68.9	0	0	0	0	110.8	S162 E163 F164	S160-S162 PolarHBondContact O-N 3.06Å; S160-E163 VanDerWaalsContact CB-OE2 3.29Å; S160-E163 WeakPolarHBondContact CB-OE2 3.38Å; S160-E163 PolarHBondContact N-OE2 3.41Å; S160-E163 PolarHBondContact O-N 2.86Å; S160-E163 WeakPolarHBondContact OG-CG 3.24Å; S160-E163 PolarHBondContact OG-N 3.41Å; S160-E163 PolarHBondContact OG-OE2 3.08Å; S160-F164 WeakPolarHBondContact O-CB 3.48Å; S160-F164 PolarHBondContact O-N 2.64Å
161	F	97.2	Very high	93.4	Very high	72 Å²	72	59.5 Å²	59.5	32%	0.316	33%	0.326	S	S	.	.	H	α-helix	trans	-55.3	-39.1	175.4	178.3	-107.1	0	0	0	112.5	I102 E103 F106 F164 E165	I102-F161 HydrophobicContact CG2-CE2 4.09Å; I102-F161 HydrophobicContact CG2-CZ 4.38Å; E103-F161 HydrophobicContact CB-CE2 4.27Å; E103-F161 HydrophobicContact CB-CZ 4.36Å; F106-F161 HydrophobicContact CB-CD2 4.04Å; F106-F161 HydrophobicContact CB-CE2 4.31Å; F106-F161 HydrophobicContact CD1-CD2 4.1Å; F106-F161 HydrophobicContact CD2-CD2 4.13Å; F106-F161 HydrophobicContact CE1-CB 4.35Å; F106-F161 HydrophobicContact CE2-CB 4.35Å; F106-F161 AromaticContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CZ-CB 4.19Å; F161-F164 PolarHBondContact O-N 2.79Å; F161-E165 VanDerWaalsContact O-CB 3.27Å; F161-E165 WeakPolarHBondContact O-CB 3.47Å; F161-E165 PolarHBondContact O-N 3.19Å
162	S	96.5	Very high	92.8	Very high	81 Å²	81	63.1 Å²	63.1	57%	0.566	35%	0.35	S	S	*	.	H	α-helix	trans	-67.8	-37.5	-179.8	-64.9	0	0	0	0	112.9	S160 H166	S160-S162 PolarHBondContact O-N 3.06Å; S162-H166 WeakPolarHBondContact O-CB 3.19Å; S162-H166 PolarHBondContact O-N 3.49Å
163	E	96.4	Very high	92.3	Very high	11 Å²	11	68.3 Å²	68.3	5%	0.051	38%	0.378	C	S	.	.	H	α-helix	trans	-71	-43.3	175.8	-72.7	161.1	139.9	0	0	111.4	L153 D154 L159 S160 E165 H166 A167	L153-E163 HydrophobicContact CB-CG 4.36Å; L153-E163 HydrophobicContact CD1-CG 4.27Å; L153-E163 HydrophobicContact CG-CG 4.16Å; L153-E163 PolarHBondContact N-OE1 3.19Å; D154-E163 PolarHBondContact N-OE1 3.46Å; L159-E163 HydrophobicContact CD2-CB 4.37Å; S160-E163 VanDerWaalsContact CB-OE2 3.29Å; S160-E163 WeakPolarHBondContact CB-OE2 3.38Å; S160-E163 PolarHBondContact N-OE2 3.41Å; S160-E163 PolarHBondContact O-N 2.86Å; S160-E163 WeakPolarHBondContact OG-CG 3.24Å; S160-E163 PolarHBondContact OG-N 3.41Å; S160-E163 PolarHBondContact OG-OE2 3.08Å; E163-E165 PolarHBondContact O-N 3.04Å; E163-H166 PolarHBondContact O-N 3.45Å; E163-A167 WeakPolarHBondContact O-CB 3.39Å; E163-A167 PolarHBondContact O-N 2.68Å
164	F	95.6	Very high	91.8	Very high	9 Å²	9	63.7 Å²	63.7	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-45.1	174	-176	-98.9	0	0	0	111.7	I102 A105 F106 Y109 I117 S160 F161 H166 A167 M168	I102-F164 HydrophobicContact CG2-CD1 3.93Å; I102-F164 HydrophobicContact CG2-CE1 4.06Å; A105-F164 HydrophobicContact CB-CE1 4.25Å; A105-F164 HydrophobicContact CB-CZ 4.3Å; F106-F164 HydrophobicContact CB-CD1 3.92Å; F106-F164 HydrophobicContact CB-CE1 4.01Å; F106-F164 HydrophobicContact CD2-CB 3.69Å; F106-F164 AromaticContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD2 4.36Å; F106-F164 HydrophobicContact CD2-CE1 4.42Å; F106-F164 AromaticContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CE2-CB 3.97Å; F106-F164 HydrophobicContact CE2-CG 4.35Å; F106-F164 HydrophobicContact CG-CD1 4.3Å; Y109-F164 AromaticContact CD2-CE2 3.95Å; Y109-F164 HydrophobicContact CD2-CE2 3.95Å; Y109-F164 AromaticContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CE2-CE2 4.45Å; Y109-F164 HydrophobicContact CE2-CZ 4.08Å; I117-F164 HydrophobicContact CD1-CD2 3.5Å; I117-F164 HydrophobicContact CD1-CE2 3.69Å; I117-F164 HydrophobicContact CD1-CG 4.06Å; I117-F164 HydrophobicContact CD1-CZ 4.38Å; S160-F164 WeakPolarHBondContact O-CB 3.48Å; S160-F164 PolarHBondContact O-N 2.64Å; F161-F164 PolarHBondContact O-N 2.79Å; F164-H166 PolarHBondContact O-N 3.15Å; F164-A167 PolarHBondContact O-N 3.24Å; F164-M168 HydrophobicContact CD1-CG 4.04Å; F164-M168 HydrophobicContact CE1-CG 3.62Å; F164-M168 HydrophobicContact CE2-CE 4.08Å; F164-M168 HydrophobicContact CE2-CG 4.14Å; F164-M168 HydrophobicContact CE2-SD 4.26Å; F164-M168 HydrophobicContact CG-CG 4.46Å; F164-M168 HydrophobicContact CZ-CE 4.4Å; F164-M168 HydrophobicContact CZ-CG 3.67Å; F164-M168 HydrophobicContact CZ-SD 3.98Å; F164-M168 WeakPolarHBondContact O-CB 3.42Å; F164-M168 VanDerWaalsContact O-CG 3.31Å; F164-M168 WeakPolarHBondContact O-CG 3.31Å; F164-M168 PolarHBondContact O-N 3.26Å
165	E	94.7	Very high	91.1	Very high	75 Å²	75	60.7 Å²	60.7	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-45.4	175.7	-180	176.8	-136.7	0	0	111.6	I102 F161 E163 A167 M168 A169	I102-E165 HydrophobicContact CD1-CG 4.41Å; I102-E165 HydrophobicContact CG2-CB 4Å; I102-E165 HydrophobicContact CG2-CG 4.22Å; F161-E165 VanDerWaalsContact O-CB 3.27Å; F161-E165 WeakPolarHBondContact O-CB 3.47Å; F161-E165 PolarHBondContact O-N 3.19Å; E163-E165 PolarHBondContact O-N 3.04Å; E165-A167 PolarHBondContact O-N 2.72Å; E165-M168 PolarHBondContact O-N 2.84Å; E165-A169 VanDerWaalsContact O-CB 3.3Å; E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 2.81Å
166	H	92.5	Very high	90.5	Very high	83 Å²	83	59.7 Å²	59.7	38%	0.384	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-40.5	176.8	-178.4	67.9	0	0	0	112.7	S162 E163 F164 K170	S162-H166 WeakPolarHBondContact O-CB 3.19Å; S162-H166 PolarHBondContact O-N 3.49Å; E163-H166 PolarHBondContact O-N 3.45Å; F164-H166 PolarHBondContact O-N 3.15Å; H166-K170 VanDerWaalsContact CE1-CE 3.43Å; H166-K170 WeakPolarHBondContact CE1-CE 3.22Å; H166-K170 VanDerWaalsContact NE2-CE 3.3Å; H166-K170 WeakPolarHBondContact NE2-CE 3.29Å; H166-K170 PolarHBondContact NE2-NZ 3.32Å; H166-K170 WeakPolarHBondContact O-CG 3.27Å; H166-K170 PolarHBondContact O-N 3.13Å
167	A	92.4	Very high	90	Very high	16 Å²	16	61 Å²	61	13%	0.132	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-46.4	175.8	0	0	0	0	0	111.4	E163 F164 E165 A169 K170 S171	E163-A167 WeakPolarHBondContact O-CB 3.39Å; E163-A167 PolarHBondContact O-N 2.68Å; F164-A167 PolarHBondContact O-N 3.24Å; E165-A167 PolarHBondContact O-N 2.72Å; A167-A169 PolarHBondContact O-N 3.46Å; A167-K170 PolarHBondContact O-N 2.8Å; A167-S171 PolarHBondContact O-N 3.07Å
168	M	91.3	Very high	89.6	Confident	35 Å²	35	56.9 Å²	56.9	17%	0.172	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-35.2	178.8	-67.4	-54.6	101.8	0	0	112.4	I102 F164 E165 K170 S171 F174	I102-M168 HydrophobicContact CD1-CB 3.96Å; I102-M168 HydrophobicContact CG1-CB 3.92Å; I102-M168 HydrophobicContact CG1-CG 4.46Å; F164-M168 HydrophobicContact CD1-CG 4.04Å; F164-M168 HydrophobicContact CE1-CG 3.62Å; F164-M168 HydrophobicContact CE2-CE 4.08Å; F164-M168 HydrophobicContact CE2-CG 4.14Å; F164-M168 HydrophobicContact CE2-SD 4.26Å; F164-M168 HydrophobicContact CG-CG 4.46Å; F164-M168 HydrophobicContact CZ-CE 4.4Å; F164-M168 HydrophobicContact CZ-CG 3.67Å; F164-M168 HydrophobicContact CZ-SD 3.98Å; F164-M168 WeakPolarHBondContact O-CB 3.42Å; F164-M168 VanDerWaalsContact O-CG 3.31Å; F164-M168 WeakPolarHBondContact O-CG 3.31Å; F164-M168 PolarHBondContact O-N 3.26Å; E165-M168 PolarHBondContact O-N 2.84Å; M168-K170 PolarHBondContact O-N 3.29Å; M168-S171 CarbonylContact O-C 3.59Å; M168-S171 PolarHBondContact O-N 3.25Å; M168-F174 HydrophobicContact CB-CD1 4.12Å; M168-F174 HydrophobicContact CB-CE1 4.42Å; M168-F174 HydrophobicContact CG-CD1 4.19Å; M168-F174 HydrophobicContact CG-CE1 4.26Å; M168-F174 HydrophobicContact CG-CG 4.35Å; M168-F174 HydrophobicContact CG-CZ 4.48Å; M168-F174 HydrophobicContact SD-CB 3.97Å; M168-F174 HydrophobicContact SD-CD1 3.87Å; M168-F174 HydrophobicContact SD-CD2 3.4Å; M168-F174 WeakPolarHBondContact SD-CD2 3.15Å; M168-F174 HydrophobicContact SD-CE1 4.24Å; M168-F174 HydrophobicContact SD-CE2 3.8Å; M168-F174 HydrophobicContact SD-CG 3.44Å; M168-F174 WeakPolarHBondContact SD-CG 3.18Å; M168-F174 HydrophobicContact SD-CZ 4.21Å
169	A	87.2	Confident	89.2	Confident	79 Å²	79	57.4 Å²	57.4	65%	0.653	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-25.9	175.6	0	0	0	0	0	113.1	E165 A167	E165-A169 VanDerWaalsContact O-CB 3.3Å; E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 2.81Å; A167-A169 PolarHBondContact O-N 3.46Å
170	K	86.1	Confident	88.6	Confident	136 Å²	136	58.2 Å²	58.2	59%	0.591	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.5	173.7	-67.4	173.7	-178.4	173.1	0	113.5	H166 A167 M168 P172	H166-K170 VanDerWaalsContact CE1-CE 3.43Å; H166-K170 WeakPolarHBondContact CE1-CE 3.22Å; H166-K170 VanDerWaalsContact NE2-CE 3.3Å; H166-K170 WeakPolarHBondContact NE2-CE 3.29Å; H166-K170 PolarHBondContact NE2-NZ 3.32Å; H166-K170 WeakPolarHBondContact O-CG 3.27Å; H166-K170 PolarHBondContact O-N 3.13Å; A167-K170 PolarHBondContact O-N 2.8Å; M168-K170 PolarHBondContact O-N 3.29Å; K170-P172 WeakPolarHBondContact O-CD 3.21Å
171	S	85.7	Confident	87.8	Confident	44 Å²	44	64.1 Å²	64.1	31%	0.308	35%	0.349	S	S	.	.			trans	-108.2	86.3	-178.7	-172.8	0	0	0	0	110.9	A167 M168 D173 F174	A167-S171 PolarHBondContact O-N 3.07Å; M168-S171 CarbonylContact O-C 3.59Å; M168-S171 PolarHBondContact O-N 3.25Å; S171-D173 PolarHBondContact O-N 3.41Å; S171-D173 VanDerWaalsContact O-N 3.15Å; S171-F174 WeakPolarHBondContact O-CB 3.44Å; S171-F174 PolarHBondContact O-N 2.77Å; S171-F174 VanDerWaalsContact O-N 3.15Å
172	P	78.7	Confident	86.5	Confident	93 Å²	93	61.5 Å²	61.5	60%	0.604	34%	0.337	S	S	*	.	H	α-helix	trans	-61	-25.3	179.8	24.5	-33.7	0	0	0	112.9	K170 F174 M175	K170-P172 WeakPolarHBondContact O-CD 3.21Å; P172-F174 VanDerWaalsContact C-N 3.32Å; P172-F174 PolarHBondContact O-N 3.03Å; P172-M175 PolarHBondContact O-N 3.08Å
173	D	85	Confident	84.9	Confident	120 Å²	120	59.4 Å²	59.4	64%	0.642	32%	0.317	S	S	*	.	H	α-helix	trans	-68.3	-31.1	179.1	-68.9	-25.9	0	0	0	112.6	S171 M175 N176 S177	S171-D173 PolarHBondContact O-N 3.41Å; S171-D173 VanDerWaalsContact O-N 3.15Å; D173-M175 VanDerWaalsContact C-N 3.27Å; D173-M175 PolarHBondContact O-N 3.03Å; D173-N176 PolarHBondContact O-N 3.3Å; D173-S177 PolarHBondContact O-N 3.33Å; D173-S177 PolarHBondContact O-OG 3.14Å
174	F	82.2	Confident	83	Confident	14 Å²	14	63.3 Å²	63.3	6%	0.061	36%	0.36	C	S	.	.	H	α-helix	trans	-56.6	-42.2	177.3	171.4	-99.1	0	0	0	111.9	I102 A105 M168 S171 P172 N176 S177 F178	I102-F174 HydrophobicContact CG1-CE1 3.97Å; A105-F174 HydrophobicContact CB-CE2 4.03Å; A105-F174 HydrophobicContact CB-CZ 3.48Å; A105-F174 VanDerWaalsContact CB-CZ 3.48Å; M168-F174 HydrophobicContact CB-CD1 4.12Å; M168-F174 HydrophobicContact CB-CE1 4.42Å; M168-F174 HydrophobicContact CG-CD1 4.19Å; M168-F174 HydrophobicContact CG-CE1 4.26Å; M168-F174 HydrophobicContact CG-CG 4.35Å; M168-F174 HydrophobicContact CG-CZ 4.48Å; M168-F174 HydrophobicContact SD-CB 3.97Å; M168-F174 HydrophobicContact SD-CD1 3.87Å; M168-F174 HydrophobicContact SD-CD2 3.4Å; M168-F174 WeakPolarHBondContact SD-CD2 3.15Å; M168-F174 HydrophobicContact SD-CE1 4.24Å; M168-F174 HydrophobicContact SD-CE2 3.8Å; M168-F174 HydrophobicContact SD-CG 3.44Å; M168-F174 WeakPolarHBondContact SD-CG 3.18Å; M168-F174 HydrophobicContact SD-CZ 4.21Å; S171-F174 WeakPolarHBondContact O-CB 3.44Å; S171-F174 PolarHBondContact O-N 2.77Å; S171-F174 VanDerWaalsContact O-N 3.15Å; P172-F174 VanDerWaalsContact C-N 3.32Å; P172-F174 PolarHBondContact O-N 3.03Å; F174-N176 PolarHBondContact O-N 3.43Å; F174-S177 WeakPolarHBondContact CA-OG 3.43Å; F174-S177 PolarHBondContact O-N 2.88Å; F174-S177 VanDerWaalsContact O-N 3.14Å; F174-S177 PolarHBondContact O-OG 3.03Å; F174-S177 VanDerWaalsContact O-OG 3.06Å; F174-F178 HydrophobicContact CE1-CB 4.22Å; F174-F178 HydrophobicContact CE1-CG 4.5Å; F174-F178 HydrophobicContact CE2-CB 4.06Å; F174-F178 AromaticContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CG 4.21Å; F174-F178 HydrophobicContact CZ-CB 3.86Å; F174-F178 AromaticContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CE2 4.48Å; F174-F178 AromaticContact CZ-CG 3.84Å; F174-F178 HydrophobicContact CZ-CG 3.84Å; F174-F178 WeakPolarHBondContact O-CB 3.43Å; F174-F178 PolarHBondContact O-N 3.26Å
175	M	79.2	Confident	80.8	Confident	41 Å²	41	69.1 Å²	69.1	20%	0.202	40%	0.4	C	S	.	.	H	α-helix	trans	-65.8	-24.2	-179.8	-72.3	-58.7	-54	0	0	113.5	P98 K101 P172 D173 R179	P98-M175 HydrophobicContact CB-CE 3.77Å; P98-M175 HydrophobicContact CB-SD 3.8Å; P98-M175 HydrophobicContact CG-CE 3.82Å; P98-M175 HydrophobicContact CG-SD 4.42Å; K101-M175 HydrophobicContact CB-SD 4.49Å; K101-M175 HydrophobicContact CD-CE 3.7Å; K101-M175 HydrophobicContact CD-SD 4.39Å; K101-M175 HydrophobicContact CG-CE 4.5Å; P172-M175 PolarHBondContact O-N 3.08Å; D173-M175 VanDerWaalsContact C-N 3.27Å; D173-M175 PolarHBondContact O-N 3.03Å; M175-R179 PolarHBondContact O-NE 3.34Å
176	N	80.9	Confident	80.1	Confident	97 Å²	97	68.8 Å²	68.8	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-87.6	-30.4	175.4	-66.3	-34.7	0	0	0	111.9	D173 F174 R179	D173-N176 PolarHBondContact O-N 3.3Å; F174-N176 PolarHBondContact O-N 3.43Å; N176-R179 WeakPolarHBondContact O-CD 3.5Å; N176-R179 PolarHBondContact OD1-NH2 3.01Å
177	S	84	Confident	79.4	Confident	87 Å²	87	68.1 Å²	68.1	61%	0.608	40%	0.403	S	S	*	.	H	α-helix	trans	-82.5	-30.5	178.1	69.5	0	0	0	0	113.5	D173 F174 R179	D173-S177 PolarHBondContact O-N 3.33Å; D173-S177 PolarHBondContact O-OG 3.14Å; F174-S177 WeakPolarHBondContact CA-OG 3.43Å; F174-S177 PolarHBondContact O-N 2.88Å; F174-S177 VanDerWaalsContact O-N 3.14Å; F174-S177 PolarHBondContact O-OG 3.03Å; F174-S177 VanDerWaalsContact O-OG 3.06Å; S177-R179 PolarHBondContact O-N 2.83Å
178	F	86.2	Confident	78.7	Confident	14 Å²	14	70.9 Å²	70.9	6%	0.061	42%	0.419	C	S	.	.	S	Bend	trans	-81.2	64.7	178.6	-156.8	-91.4	0	0	0	111.6	V91 F92 K101 A105 I108 F174	V91-F178 HydrophobicContact CG1-CE1 4.05Å; F92-F178 HydrophobicContact CD1-CD1 4.08Å; F92-F178 AromaticContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CZ 4.38Å; F92-F178 HydrophobicContact CE1-CD1 4.02Å; F92-F178 HydrophobicContact CE1-CD2 4.5Å; F92-F178 AromaticContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE2 4.06Å; F92-F178 HydrophobicContact CE1-CG 4.48Å; F92-F178 AromaticContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CZ-CE1 4.26Å; F92-F178 HydrophobicContact CZ-CZ 4.03Å; K101-F178 HydrophobicContact CB-CD1 3.87Å; K101-F178 HydrophobicContact CB-CE1 4.25Å; K101-F178 HydrophobicContact CD-CD1 4.09Å; K101-F178 HydrophobicContact CG-CD1 4.12Å; K101-F178 PolarHBondContact NZ-O 2.95Å; A105-F178 HydrophobicContact CB-CD2 3.88Å; A105-F178 HydrophobicContact CB-CE1 4.46Å; A105-F178 HydrophobicContact CB-CE2 3.36Å; A105-F178 HydrophobicContact CB-CZ 3.69Å; I108-F178 HydrophobicContact CD1-CE2 4.27Å; I108-F178 HydrophobicContact CD1-CZ 3.85Å; F174-F178 HydrophobicContact CE1-CB 4.22Å; F174-F178 HydrophobicContact CE1-CG 4.5Å; F174-F178 HydrophobicContact CE2-CB 4.06Å; F174-F178 AromaticContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CG 4.21Å; F174-F178 HydrophobicContact CZ-CB 3.86Å; F174-F178 AromaticContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CE2 4.48Å; F174-F178 AromaticContact CZ-CG 3.84Å; F174-F178 HydrophobicContact CZ-CG 3.84Å; F174-F178 WeakPolarHBondContact O-CB 3.43Å; F174-F178 PolarHBondContact O-N 3.26Å
179	R	87.7	Confident	77.9	Confident	66 Å²	66	73.1 Å²	73.1	25%	0.249	43%	0.433	C	S	.	.			trans	-144	138.9	-179.8	-59.2	179.8	-172.7	-164.6	-0.7	109.1	E94 M175 N176 S177	E94-R179 IonicContact OE1-CZ 3.7Å; E94-R179 IonicContact OE1-NH1 2.73Å; E94-R179 PolarHBondContact OE1-NH1 3.22Å; E94-R179 IonicContact OE1-NH2 3.82Å; E94-R179 IonicContact OE2-NH1 3.9Å; M175-R179 PolarHBondContact O-NE 3.34Å; N176-R179 WeakPolarHBondContact O-CD 3.5Å; N176-R179 PolarHBondContact OD1-NH2 3.01Å; S177-R179 PolarHBondContact O-N 2.83Å
180	I	84.8	Confident	77.4	Confident	20 Å²	20	72.7 Å²	72.7	10%	0.103	42%	0.419	C	S	.	.			trans	-131.1	113.8	172.5	-60.3	178.2	0	0	0	106.6	A60 L61 I70 F92 F182	A60-I180 HydrophobicContact CB-CG2 3.69Å; L61-I180 HydrophobicContact CD2-CD1 3.87Å; I70-I180 HydrophobicContact CD1-CD1 3.89Å; F92-I180 HydrophobicContact CB-CB 4Å; F92-I180 HydrophobicContact CB-CG1 4.44Å; F92-I180 HydrophobicContact CD1-CB 4.18Å; F92-I180 HydrophobicContact CD1-CD1 3.79Å; F92-I180 HydrophobicContact CD1-CG1 3.65Å; F92-I180 HydrophobicContact CD2-CD1 4.05Å; F92-I180 HydrophobicContact CD2-CG1 4.49Å; F92-I180 HydrophobicContact CE1-CD1 3.65Å; F92-I180 HydrophobicContact CE1-CG1 3.96Å; F92-I180 HydrophobicContact CE2-CD1 3.93Å; F92-I180 HydrophobicContact CG-CB 4.01Å; F92-I180 HydrophobicContact CG-CD1 3.99Å; F92-I180 HydrophobicContact CG-CG1 3.95Å; F92-I180 HydrophobicContact CZ-CD1 3.72Å; F92-I180 HydrophobicContact CZ-CG1 4.5Å; I180-F182 HydrophobicContact CB-CD2 3.77Å; I180-F182 HydrophobicContact CB-CE2 3.49Å; I180-F182 VanDerWaalsContact CB-CE2 3.49Å; I180-F182 HydrophobicContact CB-CZ 4.08Å; I180-F182 HydrophobicContact CD1-CE2 4.22Å; I180-F182 HydrophobicContact CD1-CZ 4.05Å; I180-F182 HydrophobicContact CG1-CE2 4.4Å; I180-F182 HydrophobicContact CG2-CD1 4.08Å; I180-F182 HydrophobicContact CG2-CD2 3.53Å; I180-F182 HydrophobicContact CG2-CE1 4.08Å; I180-F182 HydrophobicContact CG2-CE2 3.51Å; I180-F182 HydrophobicContact CG2-CG 3.81Å; I180-F182 HydrophobicContact CG2-CZ 3.79Å; I180-F182 VanDerWaalsContact O-CD2 3.27Å; I180-F182 WeakPolarHBondContact O-CD2 3.29Å; I180-F182 PolarHBondContact O-N 3.28Å
181	H	79.3	Confident	76.8	Confident	153 Å²	153	68.5 Å²	68.5	71%	0.708	41%	0.408	S	S	*	.			trans	-76.9	83.5	168.9	-63.7	-69.5	0	0	0	108.1	W183	H181-W183 PolarHBondContact O-N 3.23Å
182	F	69.8	Low	76.1	Confident	17 Å²	17	70.2 Å²	70.2	8%	0.075	42%	0.415	C	S	.	.			trans	-63.4	-33.7	-177.7	-79.8	-90.5	0	0	0	112.9	A60 L61 M88 F92 I180	A60-F182 HydrophobicContact CB-CB 4.4Å; A60-F182 HydrophobicContact CB-CD1 4.17Å; A60-F182 HydrophobicContact CB-CG 4.38Å; L61-F182 HydrophobicContact CD1-CE1 3.75Å; L61-F182 HydrophobicContact CD1-CZ 4.49Å; L61-F182 HydrophobicContact CD2-CE1 3.74Å; L61-F182 HydrophobicContact CD2-CZ 3.89Å; L61-F182 HydrophobicContact CG-CD1 4.37Å; L61-F182 HydrophobicContact CG-CE1 3.53Å; L61-F182 HydrophobicContact CG-CZ 4.21Å; M88-F182 HydrophobicContact CE-CD1 4.33Å; M88-F182 HydrophobicContact CE-CE1 3.54Å; M88-F182 HydrophobicContact CE-CZ 3.88Å; M88-F182 HydrophobicContact CG-CE1 4.36Å; M88-F182 HydrophobicContact CG-CE2 4.32Å; M88-F182 HydrophobicContact CG-CZ 3.71Å; M88-F182 HydrophobicContact SD-CE1 3.96Å; M88-F182 HydrophobicContact SD-CZ 3.81Å; F92-F182 HydrophobicContact CB-CD2 4.36Å; F92-F182 HydrophobicContact CB-CE2 3.75Å; F92-F182 AromaticContact CD2-CE2 3.48Å; F92-F182 HydrophobicContact CD2-CE2 3.48Å; F92-F182 VanDerWaalsContact CD2-CE2 3.48Å; F92-F182 AromaticContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CE2-CE2 4.36Å; F92-F182 HydrophobicContact CE2-CZ 4.25Å; F92-F182 AromaticContact CG-CE2 3.85Å; F92-F182 HydrophobicContact CG-CE2 3.85Å; I180-F182 HydrophobicContact CB-CD2 3.77Å; I180-F182 HydrophobicContact CB-CE2 3.49Å; I180-F182 VanDerWaalsContact CB-CE2 3.49Å; I180-F182 HydrophobicContact CB-CZ 4.08Å; I180-F182 HydrophobicContact CD1-CE2 4.22Å; I180-F182 HydrophobicContact CD1-CZ 4.05Å; I180-F182 HydrophobicContact CG1-CE2 4.4Å; I180-F182 HydrophobicContact CG2-CD1 4.08Å; I180-F182 HydrophobicContact CG2-CD2 3.53Å; I180-F182 HydrophobicContact CG2-CE1 4.08Å; I180-F182 HydrophobicContact CG2-CE2 3.51Å; I180-F182 HydrophobicContact CG2-CG 3.81Å; I180-F182 HydrophobicContact CG2-CZ 3.79Å; I180-F182 VanDerWaalsContact O-CD2 3.27Å; I180-F182 WeakPolarHBondContact O-CD2 3.29Å; I180-F182 PolarHBondContact O-N 3.28Å
183	W	64.3	Low	76	Confident	38 Å²	38	68.5 Å²	68.5	14%	0.144	40%	0.4	C	S	.	.			trans	-126.6	103.8	-162.4	-43.1	109.1	0	0	0	109.2	I31 S34 L58 V85 H181 C185	I31-W183 HydrophobicContact CB-CZ2 4.5Å; I31-W183 VanDerWaalsContact CG1-CD1 3.46Å; I31-W183 HydrophobicContact CG1-CD2 3.88Å; I31-W183 HydrophobicContact CG1-CG 3.95Å; I31-W183 HydrophobicContact CG1-CZ2 3.89Å; I31-W183 HydrophobicContact CG2-CZ2 4.21Å; S34-W183 VanDerWaalsContact CB-CZ3 3.41Å; L58-W183 HydrophobicContact CD1-CH2 3.74Å; L58-W183 HydrophobicContact CD1-CZ3 4.36Å; L58-W183 HydrophobicContact CD2-CH2 4.15Å; L58-W183 HydrophobicContact CD2-CZ3 4Å; V85-W183 HydrophobicContact CG1-CH2 4.3Å; V85-W183 HydrophobicContact CG1-CZ2 3.92Å; H181-W183 PolarHBondContact O-N 3.23Å; W183-C185 PolarHBondContact O-N 3.36Å
184	G	55.2	Low	75.2	Confident	92 Å²	92	64.2 Å²	64.2	95%	0.948	38%	0.38	S	S	*	.			trans	-73.9	67.9	169.7	0	0	0	0	0	110.5
185	C	49	Very low	74.6	Confident	131 Å²	131	68.7 Å²	68.7	89%	0.885	41%	0.409	S	S	*	.			trans	-102.1	0	155.9	6.5	0	0	0	0	105.6	C30 W183	C30-C185 HydrophobicContact CB-CB 4.17Å; C30-C185 WeakPolarHBondContact CB-SG 3.32Å; C30-C185 WeakPolarHBondContact SG-CB 3.41Å; C30-C185 CovalentContact SG-SG 2.05Å; C30-C185 PolarHBondContact SG-SG 2.85Å; W183-C185 PolarHBondContact O-N 3.36Å

Retrieved 185 of 185 residues in 400.3 ms (Link to these results)

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