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Tubulin alpha chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A077ZI14, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 450 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	67.7	Low	93.3	Very high	118 Å²	118	31.5 Å²	31.5	58%	0.581	14%	0.142	S	C	*	.				0	166.6	0	-163.4	176.2	-84.2	0	0	107.3	E3 S50 T130	M1-E3 HydrophobicContact CB-CG 4.27Å; M1-E3 HydrophobicContact CG-CG 4.12Å; M1-E3 HydrophobicContact SD-CG 4.11Å; M1-S50 WeakPolarHBondContact SD-CB 3.34Å; M1-S50 PolarHBondContact SD-OG 2.88Å; M1-T130 WeakPolarHBondContact CB-OG1 2.87Å; M1-T130 PolarHBondContact N-OG1 2.99Å
2	R	83.2	Confident	93.5	Very high	113 Å²	113	31.3 Å²	31.3	43%	0.426	15%	0.15	S	C	.	.			trans	-105.2	46.1	-170.3	-95.3	-171.1	-170.9	-169.8	-1.7	110.9	T51 Q133	R2-T51 WeakPolarHBondContact O-CG2 3.38Å; R2-Q133 HydrophobicContact CB-CG 4.49Å; R2-Q133 HydrophobicContact CG-CG 4.45Å; R2-Q133 PolarHBondContact O-NE2 2.89Å
3	E	93.6	Very high	93.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	14%	0.138	C	C	.	.			trans	-69.4	146.6	-166.6	-58.1	113.8	133.8	0	0	114.2	M1 T51 R64 C129 T130 G131 Q133	M1-E3 HydrophobicContact CB-CG 4.27Å; M1-E3 HydrophobicContact CG-CG 4.12Å; M1-E3 HydrophobicContact SD-CG 4.11Å; E3-T51 WeakPolarHBondContact CA-O 3.37Å; E3-R64 IonicContact OE1-NH2 3.94Å; E3-C129 HydrophobicContact CB-CB 4.02Å; E3-C129 HydrophobicContact CG-CB 4.37Å; E3-C129 WeakPolarHBondContact OE1-CA 3.37Å; E3-T130 PolarHBondContact OE1-N 2.75Å; E3-T130 PolarHBondContact OE1-OG1 3.46Å; E3-T130 PolarHBondContact OE2-N 3.22Å; E3-T130 PolarHBondContact OE2-OG1 3.07Å; E3-T130 VanDerWaalsContact OE2-OG1 3.05Å; E3-G131 PolarHBondContact N-O 3.4Å; E3-G131 WeakPolarHBondContact OE2-CA 3.34Å; E3-G131 PolarHBondContact OE2-N 3.21Å; E3-Q133 PolarHBondContact O-N 2.69Å
4	V	95.9	Very high	94.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.7	-178.3	-178.7	0	0	0	0	109.2	T51 F52 R64 Q133 L136 L242 L252	V4-T51 HydrophobicContact CG2-CG2 4.2Å; V4-T51 PolarHBondContact N-O 3.45Å; V4-F52 HydrophobicContact CB-CD1 4.34Å; V4-F52 HydrophobicContact CB-CE1 3.77Å; V4-F52 HydrophobicContact CB-CZ 4.07Å; V4-F52 HydrophobicContact CG1-CE1 3.83Å; V4-F52 HydrophobicContact CG1-CZ 4.27Å; V4-F52 HydrophobicContact CG2-CZ 4.41Å; V4-R64 WeakPolarHBondContact O-CB 3.35Å; V4-Q133 HydrophobicContact CG2-CB 4.36Å; V4-L136 HydrophobicContact CG1-CD1 4.08Å; V4-L136 HydrophobicContact CG1-CD2 4.28Å; V4-L136 HydrophobicContact CG1-CG 3.64Å; V4-L242 HydrophobicContact CG2-CD1 4.26Å; V4-L252 HydrophobicContact CG1-CD1 4.15Å; V4-L252 HydrophobicContact CG2-CD1 3.74Å; V4-L252 HydrophobicContact CG2-CG 4.47Å
5	I	98	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.5	175	-65.6	166.4	0	0	0	108.6	V7 R64 L125 S126 L132 G134 F135 L136	I5-V7 HydrophobicContact CG2-CG2 4.25Å; I5-R64 WeakPolarHBondContact CA-O 3.4Å; I5-L125 HydrophobicContact CD1-CB 3.68Å; I5-L125 HydrophobicContact CG1-CB 4.22Å; I5-L125 HydrophobicContact CG2-CD1 4.15Å; I5-S126 WeakPolarHBondContact CD1-OG 3.4Å; I5-L132 HydrophobicContact CB-CD1 4.39Å; I5-L132 HydrophobicContact CD1-CD1 3.75Å; I5-L132 HydrophobicContact CD1-CD2 4.2Å; I5-L132 HydrophobicContact CG1-CD1 3.8Å; I5-G134 PolarHBondContact N-O 2.9Å; I5-F135 HydrophobicContact CB-CD1 3.86Å; I5-F135 HydrophobicContact CB-CE1 4.06Å; I5-F135 HydrophobicContact CD1-CE1 3.99Å; I5-F135 HydrophobicContact CG2-CD1 4.11Å; I5-F135 HydrophobicContact CG2-CE1 4.31Å; I5-F135 CarbonylContact O-C 3.52Å; I5-F135 VanDerWaalsContact O-CA 3.25Å; I5-F135 WeakPolarHBondContact O-CA 3.28Å; I5-L136 PolarHBondContact O-N 2.81Å
6	S	98.5	Very high	94.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.9	173	-53.9	0	0	0	0	110.4	H8 R64 A65 I66 L136	S6-H8 WeakPolarHBondContact CB-NE2 3.43Å; S6-R64 PolarHBondContact N-O 3.16Å; S6-A65 CarbonylContact O-C 3.55Å; S6-A65 VanDerWaalsContact O-CA 3.23Å; S6-A65 WeakPolarHBondContact O-CA 3.5Å; S6-I66 PolarHBondContact O-N 3.43Å; S6-L136 CarbonylContact C-O 3.57Å; S6-L136 VanDerWaalsContact CA-O 3.32Å; S6-L136 WeakPolarHBondContact CA-O 3.34Å
7	V	98.8	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.6	175.4	-167.1	0	0	0	0	108.8	I5 I9 I66 L136 I137 F138 L153	I5-V7 HydrophobicContact CG2-CG2 4.25Å; V7-I9 HydrophobicContact CG1-CD1 3.98Å; V7-I9 HydrophobicContact CG1-CG1 3.78Å; V7-I66 CarbonylContact C-O 3.56Å; V7-I66 WeakPolarHBondContact CA-O 3.27Å; V7-I66 HydrophobicContact CG1-CB 4.34Å; V7-L136 PolarHBondContact N-O 2.82Å; V7-I137 HydrophobicContact CB-CD1 3.77Å; V7-I137 HydrophobicContact CG2-CD1 3.85Å; V7-I137 WeakPolarHBondContact O-CA 3.43Å; V7-F138 PolarHBondContact O-N 2.86Å; V7-L153 HydrophobicContact CG1-CD2 3.84Å
8	H	98.8	Very high	94.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114	-176.2	-61.2	-79.1	0	0	0	109.1	S6 G13 G17 W21 I66 F67 V68 F138	S6-H8 WeakPolarHBondContact CB-NE2 3.43Å; H8-G13 PolarHBondContact ND1-O 3.49Å; H8-G17 WeakPolarHBondContact CE1-CA 3.42Å; H8-G17 WeakPolarHBondContact ND1-CA 3.25Å; H8-W21 AromaticContact CD2-NE1 3.8Å; H8-W21 AromaticContact CE1-NE1 3.95Å; H8-W21 AromaticContact NE2-NE1 3.12Å; H8-W21 PolarHBondContact NE2-NE1 3.27Å; H8-W21 VanDerWaalsContact NE2-NE1 3.12Å; H8-I66 PolarHBondContact N-O 3.17Å; H8-F67 HydrophobicContact CB-CD1 3.54Å; H8-F67 HydrophobicContact CB-CE1 3.84Å; H8-F67 HydrophobicContact CB-CG 4.1Å; H8-F67 AromaticContact CD2-CE1 3.81Å; H8-F67 AromaticContact CD2-CE2 3.98Å; H8-F67 AromaticContact CD2-CZ 3.73Å; H8-F67 AromaticContact CG-CD1 3.98Å; H8-F67 AromaticContact CG-CE1 3.77Å; H8-F67 CarbonylContact O-C 3.42Å; H8-F67 WeakPolarHBondContact O-CA 3.48Å; H8-V68 PolarHBondContact O-N 3.4Å; H8-F138 AromaticContact CE1-CD2 3.18Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.24Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.39Å; H8-F138 AromaticContact CE1-CG 3.57Å; H8-F138 AromaticContact ND1-CD2 3.35Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.31Å; H8-F138 AromaticContact ND1-CG 3.4Å; H8-F138 WeakPolarHBondContact ND1-CG 3.47Å; H8-F138 AromaticContact NE2-CD2 3.98Å
9	I	98.6	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.4	-164.7	-53.3	172.4	0	0	0	111.1	V7 G13 V68 I137 F138 H139 T145 F149 T150 L153	V7-I9 HydrophobicContact CG1-CD1 3.98Å; V7-I9 HydrophobicContact CG1-CG1 3.78Å; I9-G13 PolarHBondContact O-N 3.32Å; I9-V68 WeakPolarHBondContact CA-O 3.4Å; I9-I137 HydrophobicContact CD1-CG2 3.86Å; I9-F138 PolarHBondContact N-O 2.87Å; I9-H139 HydrophobicContact CB-CB 4.32Å; I9-T145 HydrophobicContact CG2-CG2 3.94Å; I9-F149 HydrophobicContact CG2-CD1 3.76Å; I9-T150 HydrophobicContact CD1-CG2 4.02Å; I9-T150 WeakPolarHBondContact CD1-OG1 3.46Å; I9-T150 WeakPolarHBondContact CG2-OG1 3.25Å; I9-L153 HydrophobicContact CD1-CD2 3.54Å
10	G	97.4	Very high	95	Very high	2 Å²	2	24 Å²	24	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	68.2	176.7	-179.3	0	0	0	0	0	113.2	A12 G13 V14 V68 D69	G10-A12 PolarHBondContact O-N 2.61Å; G10-G13 PolarHBondContact O-N 3.1Å; G10-V14 WeakPolarHBondContact O-CB 3.38Å; G10-V14 VanDerWaalsContact O-CG2 3.25Å; G10-V14 WeakPolarHBondContact O-CG2 3.36Å; G10-V14 PolarHBondContact O-N 3.46Å; G10-V68 PolarHBondContact N-O 2.95Å; G10-D69 WeakPolarHBondContact CA-OD2 3.31Å
11	Q	95.6	Very high	95.1	Very high	109 Å²	109	22.9 Å²	22.9	51%	0.509	11%	0.113	S	C	.	.	H	α-helix	trans	-48.7	-52.3	-177.2	-173.7	178.6	-24.7	0	0	114.1	Q15 D69 V74	Q11-Q15 WeakPolarHBondContact O-CB 3.32Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.36Å; Q11-Q15 PolarHBondContact O-N 3.16Å; Q11-D69 PolarHBondContact N-OD2 3.2Å; Q11-D69 VanDerWaalsContact N-OD2 3.08Å; Q11-V74 HydrophobicContact CG-CB 4.47Å; Q11-V74 HydrophobicContact CG-CG2 4.2Å
12	A	95.5	Very high	96.5	Very high	28 Å²	28	18.7 Å²	18.7	23%	0.231	9%	0.092	C	C	.	.	H	α-helix	trans	-63.8	-48	-178.7	0	0	0	0	0	111.9	G10 V14 Q15 I16 I171	G10-A12 PolarHBondContact O-N 2.61Å; A12-V14 PolarHBondContact O-N 2.7Å; A12-Q15 PolarHBondContact O-N 2.72Å; A12-I16 WeakPolarHBondContact O-CB 3.39Å; A12-I16 WeakPolarHBondContact O-CD1 3.46Å; A12-I16 WeakPolarHBondContact O-CG1 3.48Å; A12-I16 PolarHBondContact O-N 3.42Å; A12-I171 HydrophobicContact CB-CG1 4.27Å
13	G	97.9	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60	-45.9	-180	0	0	0	0	0	112.3	H8 I9 G10 I16 G17 F138	H8-G13 PolarHBondContact ND1-O 3.49Å; I9-G13 PolarHBondContact O-N 3.32Å; G10-G13 PolarHBondContact O-N 3.1Å; G13-I16 PolarHBondContact O-N 2.71Å; G13-G17 PolarHBondContact O-N 3.29Å; G13-F138 WeakPolarHBondContact CA-O 3.34Å
14	V	98.2	Very high	97.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-45	178.6	173.4	0	0	0	0	111.7	G10 A12 G17 N18 F67 V74 I75 V78	G10-V14 WeakPolarHBondContact O-CB 3.38Å; G10-V14 VanDerWaalsContact O-CG2 3.25Å; G10-V14 WeakPolarHBondContact O-CG2 3.36Å; G10-V14 PolarHBondContact O-N 3.46Å; A12-V14 PolarHBondContact O-N 2.7Å; V14-G17 PolarHBondContact O-N 3.09Å; V14-N18 PolarHBondContact O-N 3.49Å; V14-F67 HydrophobicContact CB-CD1 4.21Å; V14-F67 HydrophobicContact CG1-CD1 3.89Å; V14-F67 HydrophobicContact CG1-CE1 4.4Å; V14-F67 HydrophobicContact CG2-CB 4.47Å; V14-F67 HydrophobicContact CG2-CD1 4.08Å; V14-V74 HydrophobicContact CB-CG1 3.96Å; V14-V74 HydrophobicContact CB-CG2 3.9Å; V14-V74 HydrophobicContact CG1-CB 4.36Å; V14-V74 HydrophobicContact CG1-CG1 4.01Å; V14-V74 HydrophobicContact CG1-CG2 3.67Å; V14-V74 HydrophobicContact CG2-CG1 3.96Å; V14-I75 HydrophobicContact CB-CD1 4.41Å; V14-I75 HydrophobicContact CG1-CD1 3.99Å; V14-I75 HydrophobicContact CG2-CD1 3.5Å; V14-I75 VanDerWaalsContact CG2-CD1 3.5Å; V14-V78 HydrophobicContact CG1-CG2 3.72Å
15	Q	97.3	Very high	97.2	Very high	41 Å²	41	13.4 Å²	13.4	19%	0.192	7%	0.072	C	C	.	.	H	α-helix	trans	-68.7	-37.1	-179.2	-70.2	-179.9	-19.2	0	0	112.6	Q11 A12 A19 V74 N228	Q11-Q15 WeakPolarHBondContact O-CB 3.32Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.36Å; Q11-Q15 PolarHBondContact O-N 3.16Å; A12-Q15 PolarHBondContact O-N 2.72Å; Q15-A19 PolarHBondContact O-N 3.25Å; Q15-V74 HydrophobicContact CG-CG2 3.74Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.38Å
16	I	97.9	Very high	97	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-46.2	170.6	-67.3	162.5	0	0	0	109.6	A12 G13 N18 A19 C20 F138 I171 N228 I231	A12-I16 WeakPolarHBondContact O-CB 3.39Å; A12-I16 WeakPolarHBondContact O-CD1 3.46Å; A12-I16 WeakPolarHBondContact O-CG1 3.48Å; A12-I16 PolarHBondContact O-N 3.42Å; G13-I16 PolarHBondContact O-N 2.71Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.33Å; I16-A19 WeakPolarHBondContact O-CB 3.37Å; I16-A19 PolarHBondContact O-N 3.38Å; I16-C20 PolarHBondContact O-N 2.86Å; I16-C20 PolarHBondContact O-SG 3.05Å; I16-F138 HydrophobicContact CG2-CD1 3.74Å; I16-F138 HydrophobicContact CG2-CE1 4.26Å; I16-I171 HydrophobicContact CD1-CD1 3.69Å; I16-I171 HydrophobicContact CD1-CG1 3.72Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.35Å; I16-I231 HydrophobicContact CD1-CD1 4.25Å; I16-I231 HydrophobicContact CG1-CD1 4.26Å; I16-I231 HydrophobicContact CG1-CG2 4.5Å; I16-I231 HydrophobicContact CG2-CG2 3.7Å
17	G	97.5	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-53	-47.5	177.5	0	0	0	0	0	112.9	H8 G13 V14 A19 C20 W21	H8-G17 WeakPolarHBondContact CE1-CA 3.42Å; H8-G17 WeakPolarHBondContact ND1-CA 3.25Å; G13-G17 PolarHBondContact O-N 3.29Å; V14-G17 PolarHBondContact O-N 3.09Å; G17-A19 VanDerWaalsContact C-N 3.3Å; G17-A19 PolarHBondContact O-N 3.37Å; G17-C20 PolarHBondContact O-N 3.02Å; G17-C20 VanDerWaalsContact O-N 3.16Å; G17-W21 PolarHBondContact O-N 3.37Å
18	N	96.4	Very high	96.5	Very high	44 Å²	44	17.3 Å²	17.3	24%	0.235	9%	0.092	C	C	.	.	H	α-helix	trans	-55.2	-43.7	176.1	-83.3	-29.8	0	0	0	112.8	V14 I16 E22	V14-N18 PolarHBondContact O-N 3.49Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.33Å; N18-E22 WeakPolarHBondContact O-CB 3.36Å; N18-E22 PolarHBondContact O-N 2.88Å; N18-E22 VanDerWaalsContact O-N 3.11Å
19	A	96	Very high	96.2	Very high	17 Å²	17	19 Å²	19	14%	0.14	11%	0.11	C	C	.	.	H	α-helix	trans	-67.5	-41.2	177.8	0	0	0	0	0	112	Q15 I16 G17 L23 N228	Q15-A19 PolarHBondContact O-N 3.25Å; I16-A19 WeakPolarHBondContact O-CB 3.37Å; I16-A19 PolarHBondContact O-N 3.38Å; G17-A19 VanDerWaalsContact C-N 3.3Å; G17-A19 PolarHBondContact O-N 3.37Å; A19-L23 PolarHBondContact O-N 3.35Å; A19-N228 HydrophobicContact CB-CB 3.97Å; A19-N228 WeakPolarHBondContact CB-O 3.12Å
20	C	97.2	Very high	96	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-47	177.5	-66.3	0	0	0	0	112.2	I16 G17 L23 Y24 V235	I16-C20 PolarHBondContact O-N 2.86Å; I16-C20 PolarHBondContact O-SG 3.05Å; G17-C20 PolarHBondContact O-N 3.02Å; G17-C20 VanDerWaalsContact O-N 3.16Å; C20-L23 WeakPolarHBondContact O-CB 3.47Å; C20-L23 PolarHBondContact O-N 3.28Å; C20-Y24 PolarHBondContact O-N 2.88Å; C20-V235 HydrophobicContact CB-CG1 4.48Å
21	W	97.5	Very high	95.9	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-72.2	-33.2	-178	-70.3	109.9	0	0	0	113	H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 L86 F87	H8-W21 AromaticContact CD2-NE1 3.8Å; H8-W21 AromaticContact CE1-NE1 3.95Å; H8-W21 AromaticContact NE2-NE1 3.12Å; H8-W21 PolarHBondContact NE2-NE1 3.27Å; H8-W21 VanDerWaalsContact NE2-NE1 3.12Å; G17-W21 PolarHBondContact O-N 3.37Å; W21-L23 VanDerWaalsContact C-N 3.26Å; W21-L23 PolarHBondContact O-N 3.13Å; W21-Y24 HydrophobicContact CD2-CD2 4.21Å; W21-Y24 AromaticContact CE3-CD2 3.65Å; W21-Y24 HydrophobicContact CE3-CD2 3.65Å; W21-Y24 HydrophobicContact CE3-CE2 4.5Å; W21-Y24 HydrophobicContact CE3-CG 4.49Å; W21-Y24 HydrophobicContact CH2-CD2 4.29Å; W21-Y24 AromaticContact CZ3-CD2 3.7Å; W21-Y24 HydrophobicContact CZ3-CD2 3.7Å; W21-Y24 HydrophobicContact CZ3-CE2 4.35Å; W21-Y24 PolarHBondContact O-N 3.39Å; W21-C25 WeakPolarHBondContact O-CB 3.22Å; W21-C25 PolarHBondContact O-N 3Å; W21-C25 PolarHBondContact O-SG 3.38Å; W21-C25 VanDerWaalsContact O-SG 3.4Å; W21-F52 HydrophobicContact CH2-CB 3.93Å; W21-F52 HydrophobicContact CH2-CD1 4.2Å; W21-F52 HydrophobicContact CH2-CG 4.5Å; W21-F52 WeakPolarHBondContact CH2-O 3.31Å; W21-F52 HydrophobicContact CZ3-CB 3.98Å; W21-F53 HydrophobicContact CE3-CE1 4.18Å; W21-F53 HydrophobicContact CE3-CE2 4.37Å; W21-F53 AromaticContact CE3-CZ 3.79Å; W21-F53 HydrophobicContact CE3-CZ 3.79Å; W21-F53 HydrophobicContact CZ3-CE1 4.13Å; W21-F53 AromaticContact CZ3-CE2 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 3.99Å; W21-F53 AromaticContact CZ3-CZ 3.78Å; W21-F53 HydrophobicContact CZ3-CZ 3.78Å; W21-P63 HydrophobicContact CD2-CB 4.05Å; W21-P63 HydrophobicContact CD2-CG 4.21Å; W21-P63 HydrophobicContact CE3-CB 3.76Å; W21-P63 HydrophobicContact CE3-CG 3.81Å; W21-P63 HydrophobicContact CH2-CB 3.66Å; W21-P63 HydrophobicContact CZ2-CB 3.93Å; W21-P63 HydrophobicContact CZ3-CB 3.56Å; W21-P63 HydrophobicContact CZ3-CG 3.99Å; W21-A65 HydrophobicContact CH2-CB 4.37Å; W21-A65 HydrophobicContact CZ2-CB 3.51Å; W21-F67 AromaticContact CD1-CZ 3.61Å; W21-F67 AromaticContact NE1-CZ 3.75Å; W21-L86 HydrophobicContact CB-CD2 4.48Å; W21-F87 HydrophobicContact CB-CE1 4.18Å; W21-F87 HydrophobicContact CB-CZ 3.79Å; W21-F87 AromaticContact CD1-CE1 3.66Å; W21-F87 AromaticContact CD1-CZ 3.78Å; W21-F87 HydrophobicContact CD2-CE1 4.15Å; W21-F87 AromaticContact CG-CE1 3.74Å; W21-F87 HydrophobicContact CG-CE1 3.74Å; W21-F87 AromaticContact CG-CZ 3.8Å; W21-F87 HydrophobicContact CG-CZ 3.8Å
22	E	96.6	Very high	95.9	Very high	30 Å²	30	19.7 Å²	19.7	14%	0.14	12%	0.116	C	C	.	.	H	α-helix	trans	-56.3	-45.7	168.2	169.5	159	-119.7	0	0	110.4	N18 C25 L26 K82 Y83 V363	N18-E22 WeakPolarHBondContact O-CB 3.36Å; N18-E22 PolarHBondContact O-N 2.88Å; N18-E22 VanDerWaalsContact O-N 3.11Å; E22-C25 PolarHBondContact O-N 3.09Å; E22-L26 HydrophobicContact CG-CD1 4.11Å; E22-L26 VanDerWaalsContact O-CG 3.28Å; E22-L26 WeakPolarHBondContact O-CG 3.37Å; E22-L26 PolarHBondContact O-N 3.35Å; E22-K82 IonicContact OE1-NZ 3.81Å; E22-K82 PolarHBondContact OE1-NZ 2.88Å; E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.96Å; E22-Y83 WeakPolarHBondContact CG-OH 3.49Å; E22-Y83 PolarHBondContact OE1-OH 2.95Å; E22-V363 HydrophobicContact CG-CG1 4.31Å
23	L	95.3	Very high	95.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-66.9	-43.8	179.4	-173.3	58.5	0	0	0	112.5	A19 C20 W21 C25 L26 E27 G232 S236 T361	A19-L23 PolarHBondContact O-N 3.35Å; C20-L23 WeakPolarHBondContact O-CB 3.47Å; C20-L23 PolarHBondContact O-N 3.28Å; W21-L23 VanDerWaalsContact C-N 3.26Å; W21-L23 PolarHBondContact O-N 3.13Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.4Å; L23-L26 PolarHBondContact O-N 2.66Å; L23-E27 HydrophobicContact CD1-CG 4.29Å; L23-E27 HydrophobicContact CG-CG 4.42Å; L23-E27 WeakPolarHBondContact O-CB 3.26Å; L23-E27 VanDerWaalsContact O-CG 3.29Å; L23-E27 WeakPolarHBondContact O-CG 3.38Å; L23-E27 PolarHBondContact O-N 2.84Å; L23-G232 WeakPolarHBondContact CD2-O 3.47Å; L23-S236 VanDerWaalsContact CD2-CB 3.47Å; L23-T361 HydrophobicContact CD1-CG2 4.12Å; L23-T361 VanDerWaalsContact CD1-O 3.26Å; L23-T361 WeakPolarHBondContact CD1-O 3.3Å
24	Y	96.1	Very high	95.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-41.6	175.4	-69.8	-9.6	0	0	0	112.3	C20 W21 E27 H28 F52 V235 T239	C20-Y24 PolarHBondContact O-N 2.88Å; W21-Y24 HydrophobicContact CD2-CD2 4.21Å; W21-Y24 AromaticContact CE3-CD2 3.65Å; W21-Y24 HydrophobicContact CE3-CD2 3.65Å; W21-Y24 HydrophobicContact CE3-CE2 4.5Å; W21-Y24 HydrophobicContact CE3-CG 4.49Å; W21-Y24 HydrophobicContact CH2-CD2 4.29Å; W21-Y24 AromaticContact CZ3-CD2 3.7Å; W21-Y24 HydrophobicContact CZ3-CD2 3.7Å; W21-Y24 HydrophobicContact CZ3-CE2 4.35Å; W21-Y24 PolarHBondContact O-N 3.39Å; Y24-E27 PolarHBondContact O-N 2.91Å; Y24-H28 PolarHBondContact O-CD2 3.45Å; Y24-H28 VanDerWaalsContact O-CD2 3.23Å; Y24-H28 PolarHBondContact O-N 3.5Å; Y24-F52 HydrophobicContact CE2-CD1 4.17Å; Y24-F52 HydrophobicContact CE2-CE1 4.45Å; Y24-F52 HydrophobicContact CE2-CG 4.23Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.48Å; Y24-T239 WeakPolarHBondContact OH-CB 3.29Å; Y24-T239 VanDerWaalsContact OH-CG2 3.27Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.3Å; Y24-T239 PolarHBondContact OH-OG1 3.17Å
25	C	96.1	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-46.9	174.2	-81.2	0	0	0	0	111.6	W21 E22 L23 E27 H28 G29 I30 Y83 L86	W21-C25 WeakPolarHBondContact O-CB 3.22Å; W21-C25 PolarHBondContact O-N 3Å; W21-C25 PolarHBondContact O-SG 3.38Å; W21-C25 VanDerWaalsContact O-SG 3.4Å; E22-C25 PolarHBondContact O-N 3.09Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.4Å; C25-E27 VanDerWaalsContact C-N 3.35Å; C25-E27 PolarHBondContact O-N 3.4Å; C25-H28 PolarHBondContact O-N 3.08Å; C25-G29 CarbonylContact O-C 3.51Å; C25-G29 WeakPolarHBondContact O-CA 3.38Å; C25-G29 PolarHBondContact O-N 3.02Å; C25-I30 HydrophobicContact CB-CB 4.45Å; C25-I30 VanDerWaalsContact CB-O 3.3Å; C25-I30 WeakPolarHBondContact CB-O 3.49Å; C25-I30 PolarHBondContact O-N 3.41Å; C25-Y83 HydrophobicContact CB-CE1 3.95Å; C25-L86 VanDerWaalsContact SG-CD2 3.56Å
26	L	94.8	Very high	95.2	Very high	58 Å²	58	22.2 Å²	22.2	30%	0.304	13%	0.127	S	C	.	.	H	α-helix	trans	-64.1	-39.1	178.1	-69.3	170.6	0	0	0	112.6	E22 L23 T361 V363 P364	E22-L26 HydrophobicContact CG-CD1 4.11Å; E22-L26 VanDerWaalsContact O-CG 3.28Å; E22-L26 WeakPolarHBondContact O-CG 3.37Å; E22-L26 PolarHBondContact O-N 3.35Å; L23-L26 PolarHBondContact O-N 2.66Å; L26-T361 HydrophobicContact CB-CG2 3.76Å; L26-V363 HydrophobicContact CD1-CB 4.29Å; L26-V363 HydrophobicContact CD1-CG1 4.27Å; L26-V363 HydrophobicContact CD1-CG2 4.06Å; L26-P364 HydrophobicContact CD2-CG 4.41Å
27	E	93.8	Very high	94.6	Very high	16 Å²	16	24.8 Å²	24.8	8%	0.075	14%	0.144	C	C	.	.	H	α-helix	trans	-70.1	-35.7	-179.2	-75	178.4	169.1	0	0	113.2	L23 Y24 C25 S236 R243 F244 R320 T361	L23-E27 HydrophobicContact CD1-CG 4.29Å; L23-E27 HydrophobicContact CG-CG 4.42Å; L23-E27 WeakPolarHBondContact O-CB 3.26Å; L23-E27 VanDerWaalsContact O-CG 3.29Å; L23-E27 WeakPolarHBondContact O-CG 3.38Å; L23-E27 PolarHBondContact O-N 2.84Å; Y24-E27 PolarHBondContact O-N 2.91Å; C25-E27 VanDerWaalsContact C-N 3.35Å; C25-E27 PolarHBondContact O-N 3.4Å; E27-S236 PolarHBondContact OE1-OG 2.9Å; E27-S236 PolarHBondContact OE2-OG 3.48Å; E27-S236 VanDerWaalsContact OE2-OG 3.04Å; E27-R243 IonicContact OE2-CZ 2.64Å; E27-R243 IonicContact OE2-NH1 2.82Å; E27-R243 PolarHBondContact OE2-NH1 3.24Å; E27-R243 IonicContact OE2-NH2 3.62Å; E27-R243 PolarHBondContact OE2-NH2 2.92Å; E27-F244 HydrophobicContact CB-CZ 3.92Å; E27-R320 IonicContact OE1-NH2 3.76Å; E27-T361 HydrophobicContact CG-CG2 4.31Å; E27-T361 VanDerWaalsContact CG-OG1 3.26Å; E27-T361 WeakPolarHBondContact CG-OG1 3.49Å
28	H	92.6	Very high	93.7	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-93.5	-5.7	178.1	-66.8	-67.6	0	0	0	113.4	Y24 C25 I30 F36 F49 R243 F244	Y24-H28 PolarHBondContact O-CD2 3.45Å; Y24-H28 VanDerWaalsContact O-CD2 3.23Å; Y24-H28 PolarHBondContact O-N 3.5Å; C25-H28 PolarHBondContact O-N 3.08Å; H28-I30 VanDerWaalsContact C-N 3.34Å; H28-I30 HydrophobicContact CB-CD1 3.98Å; H28-I30 HydrophobicContact CB-CG1 4.07Å; H28-F36 WeakPolarHBondContact O-CE1 3.31Å; H28-F49 HydrophobicContact CB-CB 4.14Å; H28-R243 PolarHBondContact NE2-NH1 3.45Å; H28-R243 VanDerWaalsContact NE2-NH1 3.15Å; H28-F244 AromaticContact CE1-CE1 3.41Å; H28-F244 VanDerWaalsContact CE1-CE1 3.41Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.32Å; H28-F244 AromaticContact CE1-CZ 3.45Å; H28-F244 VanDerWaalsContact CE1-CZ 3.45Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.49Å; H28-F244 AromaticContact ND1-CE1 3.68Å; H28-F244 AromaticContact ND1-CZ 3.94Å; H28-F244 AromaticContact NE2-CZ 3.83Å
29	G	92	Very high	92.4	Very high	36 Å²	36	37.3 Å²	37.3	37%	0.371	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	25.3	-176.4	0	0	0	0	0	114	C25 F36 P37	C25-G29 CarbonylContact O-C 3.51Å; C25-G29 WeakPolarHBondContact O-CA 3.38Å; C25-G29 PolarHBondContact O-N 3.02Å; G29-F36 WeakPolarHBondContact O-CD1 3.34Å; G29-P37 WeakPolarHBondContact O-CD 3.12Å
30	I	94.1	Very high	91.2	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.036	22%	0.222	C	C	.	.			trans	-86.1	127.4	176.7	-61.4	170	0	0	0	108.7	C25 H28 F36 F49 F53 H61 L86	C25-I30 HydrophobicContact CB-CB 4.45Å; C25-I30 VanDerWaalsContact CB-O 3.3Å; C25-I30 WeakPolarHBondContact CB-O 3.49Å; C25-I30 PolarHBondContact O-N 3.41Å; H28-I30 VanDerWaalsContact C-N 3.34Å; H28-I30 HydrophobicContact CB-CD1 3.98Å; H28-I30 HydrophobicContact CB-CG1 4.07Å; I30-F36 HydrophobicContact CD1-CZ 4.32Å; I30-F36 HydrophobicContact CG1-CD1 4.37Å; I30-F36 HydrophobicContact CG1-CE1 3.54Å; I30-F36 HydrophobicContact CG1-CZ 3.7Å; I30-F49 HydrophobicContact CD1-CB 4.31Å; I30-F53 HydrophobicContact CD1-CD1 3.88Å; I30-F53 HydrophobicContact CD1-CD2 3.88Å; I30-F53 HydrophobicContact CD1-CE1 3.85Å; I30-F53 HydrophobicContact CD1-CE2 3.86Å; I30-F53 HydrophobicContact CD1-CG 3.9Å; I30-F53 HydrophobicContact CD1-CZ 3.85Å; I30-H61 HydrophobicContact CD1-CB 4.07Å; I30-H61 HydrophobicContact CG2-CB 4.45Å; I30-L86 HydrophobicContact CG2-CD1 4.26Å
31	Q	95.2	Very high	89.7	Confident	78 Å²	78	45.4 Å²	45.4	36%	0.364	25%	0.249	S	C	.	.			trans	-72.1	161.7	177.2	-64.2	-170.6	24.6	0	0	111.5	D33 G34 T35 P37	Q31-D33 WeakPolarHBondContact CB-OD1 3.41Å; Q31-D33 PolarHBondContact O-N 3.5Å; Q31-G34 PolarHBondContact O-N 3.06Å; Q31-T35 WeakPolarHBondContact CB-O 3.45Å; Q31-T35 WeakPolarHBondContact CG-O 3.38Å; Q31-T35 PolarHBondContact N-O 3.35Å; Q31-P37 HydrophobicContact CG-CG 4.38Å; Q31-P37 VanDerWaalsContact NE2-CA 3.33Å
32	P	95.9	Very high	88.1	Confident	40 Å²	40	51.5 Å²	51.5	26%	0.26	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-11.5	179.8	-25.5	35	0	0	0	116.3	K82 Y83 L86	P32-K82 HydrophobicContact CB-CG 4.33Å; P32-K82 WeakPolarHBondContact CB-O 3.37Å; P32-K82 HydrophobicContact CG-CG 4.28Å; P32-Y83 HydrophobicContact CB-CD1 3.67Å; P32-Y83 HydrophobicContact CB-CE1 3.77Å; P32-Y83 HydrophobicContact CB-CG 4.23Å; P32-Y83 HydrophobicContact CG-CD1 4.26Å; P32-Y83 HydrophobicContact CG-CE1 3.83Å; P32-L86 WeakPolarHBondContact O-CB 3.43Å; P32-L86 PolarHBondContact O-N 3.41Å
33	D	94.8	Very high	86.2	Confident	38 Å²	38	54.3 Å²	54.3	20%	0.203	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	4.3	174.9	72.3	-13.8	0	0	0	113.8	Q31 T35 Q85	Q31-D33 WeakPolarHBondContact CB-OD1 3.41Å; Q31-D33 PolarHBondContact O-N 3.5Å; D33-T35 WeakPolarHBondContact OD1-CB 3.33Å; D33-T35 PolarHBondContact OD1-N 3.1Å; D33-T35 PolarHBondContact OD1-OG1 2.77Å; D33-T35 PolarHBondContact OD2-OG1 2.81Å; D33-Q85 HydrophobicContact CB-CB 4.12Å
34	G	94.7	Very high	84.4	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.01	34%	0.336	C	S	.	.	S	Bend	trans	83.6	7.2	-178.9	0	0	0	0	0	114.6	Q31 H61	Q31-G34 PolarHBondContact O-N 3.06Å; G34-H61 WeakPolarHBondContact CA-O 3.4Å; G34-H61 PolarHBondContact O-N 3.07Å; G34-H61 PolarHBondContact O-ND1 3.41Å
35	T	94	Very high	82.6	Confident	40 Å²	40	64.1 Å²	64.1	25%	0.245	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-98	161.2	179.5	68.3	0	0	0	0	112.6	Q31 D33 R60	Q31-T35 WeakPolarHBondContact CB-O 3.45Å; Q31-T35 WeakPolarHBondContact CG-O 3.38Å; Q31-T35 PolarHBondContact N-O 3.35Å; D33-T35 WeakPolarHBondContact OD1-CB 3.33Å; D33-T35 PolarHBondContact OD1-N 3.1Å; D33-T35 PolarHBondContact OD1-OG1 2.77Å; D33-T35 PolarHBondContact OD2-OG1 2.81Å; T35-R60 HydrophobicContact CG2-CG 4.14Å
36	F	90.3	Very high	81.5	Confident	44 Å²	44	67 Å²	67	19%	0.193	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-90.1	149.8	167.1	-73.1	-67.3	0	0	0	110.7	H28 G29 I30 F49 H61	H28-F36 WeakPolarHBondContact O-CE1 3.31Å; G29-F36 WeakPolarHBondContact O-CD1 3.34Å; I30-F36 HydrophobicContact CD1-CZ 4.32Å; I30-F36 HydrophobicContact CG1-CD1 4.37Å; I30-F36 HydrophobicContact CG1-CE1 3.54Å; I30-F36 HydrophobicContact CG1-CZ 3.7Å; F36-F49 HydrophobicContact CE2-CE1 4.22Å; F36-F49 HydrophobicContact CE2-CZ 4.36Å; F36-F49 HydrophobicContact CZ-CD1 4.04Å; F36-F49 AromaticContact CZ-CE1 3.89Å; F36-F49 HydrophobicContact CZ-CE1 3.89Å; F36-F49 HydrophobicContact CZ-CZ 4.4Å; F36-H61 AromaticContact CD2-CE1 3.75Å; F36-H61 AromaticContact CD2-ND1 3.94Å; F36-H61 AromaticContact CE2-CE1 3.29Å; F36-H61 WeakPolarHBondContact CE2-CE1 3.49Å; F36-H61 AromaticContact CE2-ND1 3.53Å; F36-H61 AromaticContact CE2-NE2 3.58Å
37	P	85.7	Confident	80.8	Confident	55 Å²	55	68.6 Å²	68.6	36%	0.357	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-54.9	142.6	167.2	-20.5	30.9	0	0	0	111.9	G29 Q31 E39 R40	G29-P37 WeakPolarHBondContact O-CD 3.12Å; Q31-P37 HydrophobicContact CG-CG 4.38Å; Q31-P37 VanDerWaalsContact NE2-CA 3.33Å; P37-E39 PolarHBondContact O-N 2.87Å; P37-E39 VanDerWaalsContact O-N 3.13Å; P37-R40 WeakPolarHBondContact O-CB 3.27Å; P37-R40 PolarHBondContact O-N 2.74Å
38	S	78	Confident	80.3	Confident	125 Å²	125	69 Å²	69	87%	0.874	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.1	179.4	52.4	0	0	0	0	114.1	R40	S38-R40 VanDerWaalsContact C-N 3.31Å
39	E	70.2	Confident	80.1	Confident	182 Å²	182	69.2 Å²	69.2	85%	0.85	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	7.3	-179.4	-61.9	179.1	178.5	0	0	113	P37 D41	P37-E39 PolarHBondContact O-N 2.87Å; P37-E39 VanDerWaalsContact O-N 3.13Å; E39-D41 PolarHBondContact O-N 3.25Å
40	R	69.6	Low	80.1	Confident	81 Å²	81	68.3 Å²	68.3	31%	0.306	39%	0.387	S	S	.	.			trans	-64.1	127.2	178.6	-171.3	176.8	-176.3	-152.8	-0.1	109.9	P37 S38 T42	P37-R40 WeakPolarHBondContact O-CB 3.27Å; P37-R40 PolarHBondContact O-N 2.74Å; S38-R40 VanDerWaalsContact C-N 3.31Å; R40-T42 PolarHBondContact O-N 2.94Å
41	D	65.8	Low	80	Confident	106 Å²	106	68.3 Å²	68.3	57%	0.567	39%	0.387	S	S	*	.			trans	-65.8	105.5	172.6	-166.2	-14.3	0	0	0	109.4	E39 S43	E39-D41 PolarHBondContact O-N 3.25Å; D41-S43 PolarHBondContact O-N 2.99Å; D41-S43 WeakPolarHBondContact OD1-CB 3.26Å; D41-S43 PolarHBondContact OD1-N 3.24Å; D41-S43 PolarHBondContact OD1-OG 3.02Å; D41-S43 PolarHBondContact OD2-OG 3.31Å
42	T	64.4	Low	80.1	Confident	129 Å²	129	64.6 Å²	64.6	79%	0.791	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.8	179.3	49.7	0	0	0	0	112.8	R40 V44	R40-T42 PolarHBondContact O-N 2.94Å; T42-V44 VanDerWaalsContact C-N 3.26Å; T42-V44 PolarHBondContact O-N 3.28Å
43	S	56.9	Low	80.1	Confident	89 Å²	89	62.8 Å²	62.8	62%	0.622	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.1	176.9	69.4	0	0	0	0	113.2	D41	D41-S43 PolarHBondContact O-N 2.99Å; D41-S43 WeakPolarHBondContact OD1-CB 3.26Å; D41-S43 PolarHBondContact OD1-N 3.24Å; D41-S43 PolarHBondContact OD1-OG 3.02Å; D41-S43 PolarHBondContact OD2-OG 3.31Å
44	V	56.7	Low	80	Confident	93 Å²	93	62.1 Å²	62.1	56%	0.564	36%	0.356	S	S	*	.	S	Bend	trans	-98.7	101.1	175.3	-173.2	0	0	0	0	108.9	T42 D46	T42-V44 VanDerWaalsContact C-N 3.26Å; T42-V44 PolarHBondContact O-N 3.28Å; V44-D46 HydrophobicContact CG1-CB 4.27Å; V44-D46 PolarHBondContact O-N 2.83Å
45	V	59.7	Low	79.9	Confident	118 Å²	118	68.8 Å²	68.8	72%	0.715	39%	0.387	S	S	*	.			trans	-72.9	82.8	169.6	-175.3	0	0	0	0	108
46	D	71.8	Confident	79.6	Confident	60 Å²	60	68.5 Å²	68.5	32%	0.321	39%	0.388	S	S	.	.			trans	-95.8	90.2	172.3	178.8	21.3	0	0	0	109.6	V44 S48 F49	V44-D46 HydrophobicContact CG1-CB 4.27Å; V44-D46 PolarHBondContact O-N 2.83Å; D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 2.79Å; D46-S48 WeakPolarHBondContact OD1-CB 3.26Å; D46-S48 PolarHBondContact OD1-N 2.94Å; D46-S48 VanDerWaalsContact OD1-N 3.15Å; D46-S48 PolarHBondContact OD1-OG 3.38Å; D46-S48 PolarHBondContact OD2-OG 2.86Å; D46-F49 VanDerWaalsContact O-CD1 3.23Å; D46-F49 WeakPolarHBondContact O-CD1 3.45Å; D46-F49 WeakPolarHBondContact O-CE1 3.21Å
47	D	80.5	Confident	79.2	Confident	92 Å²	92	71.1 Å²	71.1	49%	0.492	43%	0.428	S	S	.	.			trans	-82.8	10.7	176.8	-71.2	-19.8	0	0	0	112.7	F49 S50	D47-F49 PolarHBondContact O-N 2.71Å; D47-F49 VanDerWaalsContact O-N 3.14Å; D47-S50 WeakPolarHBondContact O-CB 3.28Å; D47-S50 PolarHBondContact O-N 3.33Å; D47-S50 PolarHBondContact O-OG 3.17Å
48	S	83.8	Confident	79.2	Confident	23 Å²	23	72.9 Å²	72.9	16%	0.161	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-67.1	-19.4	-169.9	74.8	0	0	0	0	114.4	D46 S50 R243	D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 2.79Å; D46-S48 WeakPolarHBondContact OD1-CB 3.26Å; D46-S48 PolarHBondContact OD1-N 2.94Å; D46-S48 VanDerWaalsContact OD1-N 3.15Å; D46-S48 PolarHBondContact OD1-OG 3.38Å; D46-S48 PolarHBondContact OD2-OG 2.86Å; S48-S50 VanDerWaalsContact C-N 3.29Å; S48-S50 PolarHBondContact O-N 2.81Å; S48-R243 WeakPolarHBondContact CB-O 3.42Å; S48-R243 PolarHBondContact OG-O 2.72Å
49	F	88.4	Confident	79.6	Confident	17 Å²	17	68.6 Å²	68.6	8%	0.075	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-69.1	-23.2	171	59	-101.1	0	0	0	113.3	H28 I30 F36 D46 D47 T51 F52 F53 H61	H28-F49 HydrophobicContact CB-CB 4.14Å; I30-F49 HydrophobicContact CD1-CB 4.31Å; F36-F49 HydrophobicContact CE2-CE1 4.22Å; F36-F49 HydrophobicContact CE2-CZ 4.36Å; F36-F49 HydrophobicContact CZ-CD1 4.04Å; F36-F49 AromaticContact CZ-CE1 3.89Å; F36-F49 HydrophobicContact CZ-CE1 3.89Å; F36-F49 HydrophobicContact CZ-CZ 4.4Å; D46-F49 VanDerWaalsContact O-CD1 3.23Å; D46-F49 WeakPolarHBondContact O-CD1 3.45Å; D46-F49 WeakPolarHBondContact O-CE1 3.21Å; D47-F49 PolarHBondContact O-N 2.71Å; D47-F49 VanDerWaalsContact O-N 3.14Å; F49-T51 PolarHBondContact O-N 2.88Å; F49-F52 PolarHBondContact O-N 3.35Å; F49-F53 HydrophobicContact CB-CD2 4.06Å; F49-F53 HydrophobicContact CD2-CB 4.22Å; F49-F53 WeakPolarHBondContact O-CD2 3.36Å; F49-F53 PolarHBondContact O-N 3.05Å; F49-H61 AromaticContact CD2-CD2 3.65Å; F49-H61 AromaticContact CE2-CD2 3.2Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.47Å; F49-H61 AromaticContact CE2-NE2 3.4Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.37Å; F49-H61 AromaticContact CZ-CD2 3.8Å; F49-H61 AromaticContact CZ-NE2 3.54Å
50	S	91.6	Very high	80.7	Confident	16 Å²	16	64.6 Å²	64.6	11%	0.112	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-62	-20.3	-171.7	65.3	0	0	0	0	114.2	M1 D47 S48 F52 F53 R64	M1-S50 WeakPolarHBondContact SD-CB 3.34Å; M1-S50 PolarHBondContact SD-OG 2.88Å; D47-S50 WeakPolarHBondContact O-CB 3.28Å; D47-S50 PolarHBondContact O-N 3.33Å; D47-S50 PolarHBondContact O-OG 3.17Å; S48-S50 VanDerWaalsContact C-N 3.29Å; S48-S50 PolarHBondContact O-N 2.81Å; S50-F52 VanDerWaalsContact C-N 3.27Å; S50-F52 PolarHBondContact O-N 3.3Å; S50-F53 CarbonylContact C-O 3.45Å; S50-F53 WeakPolarHBondContact CA-O 3.43Å; S50-R64 PolarHBondContact O-NE 3.45Å
51	T	93	Very high	81.8	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.049	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-56.4	-39.8	171.4	-61.6	0	0	0	0	112.4	R2 E3 V4 F49 L242	R2-T51 WeakPolarHBondContact O-CG2 3.38Å; E3-T51 WeakPolarHBondContact CA-O 3.37Å; V4-T51 HydrophobicContact CG2-CG2 4.2Å; V4-T51 PolarHBondContact N-O 3.45Å; F49-T51 PolarHBondContact O-N 2.88Å; T51-L242 HydrophobicContact CG2-CB 4Å; T51-L242 PolarHBondContact OG1-O 3.46Å
52	F	95.8	Very high	83.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-11.6	-176.2	-72.6	-81.4	0	0	0	114	V4 W21 Y24 F49 S50 P63 R64 L136 T239 L242 R243	V4-F52 HydrophobicContact CB-CD1 4.34Å; V4-F52 HydrophobicContact CB-CE1 3.77Å; V4-F52 HydrophobicContact CB-CZ 4.07Å; V4-F52 HydrophobicContact CG1-CE1 3.83Å; V4-F52 HydrophobicContact CG1-CZ 4.27Å; V4-F52 HydrophobicContact CG2-CZ 4.41Å; W21-F52 HydrophobicContact CH2-CB 3.93Å; W21-F52 HydrophobicContact CH2-CD1 4.2Å; W21-F52 HydrophobicContact CH2-CG 4.5Å; W21-F52 WeakPolarHBondContact CH2-O 3.31Å; W21-F52 HydrophobicContact CZ3-CB 3.98Å; Y24-F52 HydrophobicContact CE2-CD1 4.17Å; Y24-F52 HydrophobicContact CE2-CE1 4.45Å; Y24-F52 HydrophobicContact CE2-CG 4.23Å; F49-F52 PolarHBondContact O-N 3.35Å; S50-F52 VanDerWaalsContact C-N 3.27Å; S50-F52 PolarHBondContact O-N 3.3Å; F52-P63 CarbonylContact O-C 3.5Å; F52-P63 WeakPolarHBondContact O-CA 3.45Å; F52-R64 PolarHBondContact O-N 2.61Å; F52-L136 HydrophobicContact CE1-CD1 3.75Å; F52-L136 HydrophobicContact CZ-CD1 3.98Å; F52-T239 HydrophobicContact CE2-CG2 4.29Å; F52-T239 HydrophobicContact CZ-CG2 3.68Å; F52-L242 HydrophobicContact CE2-CB 4.49Å; F52-L242 HydrophobicContact CZ-CD1 4.39Å; F52-R243 HydrophobicContact CD2-CG 3.48Å; F52-R243 VanDerWaalsContact CD2-CG 3.48Å; F52-R243 VanDerWaalsContact CE2-CD 3.47Å; F52-R243 HydrophobicContact CE2-CG 3.5Å
53	F	96	Very high	84.9	Confident	1 Å²	1	51 Å²	51	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.4	177.1	-64.9	-95	0	0	0	110.3	W21 I30 F49 S50 H61 V62 P63 L86	W21-F53 HydrophobicContact CE3-CE1 4.18Å; W21-F53 HydrophobicContact CE3-CE2 4.37Å; W21-F53 AromaticContact CE3-CZ 3.79Å; W21-F53 HydrophobicContact CE3-CZ 3.79Å; W21-F53 HydrophobicContact CZ3-CE1 4.13Å; W21-F53 AromaticContact CZ3-CE2 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 3.99Å; W21-F53 AromaticContact CZ3-CZ 3.78Å; W21-F53 HydrophobicContact CZ3-CZ 3.78Å; I30-F53 HydrophobicContact CD1-CD1 3.88Å; I30-F53 HydrophobicContact CD1-CD2 3.88Å; I30-F53 HydrophobicContact CD1-CE1 3.85Å; I30-F53 HydrophobicContact CD1-CE2 3.86Å; I30-F53 HydrophobicContact CD1-CG 3.9Å; I30-F53 HydrophobicContact CD1-CZ 3.85Å; F49-F53 HydrophobicContact CB-CD2 4.06Å; F49-F53 HydrophobicContact CD2-CB 4.22Å; F49-F53 WeakPolarHBondContact O-CD2 3.36Å; F49-F53 PolarHBondContact O-N 3.05Å; S50-F53 CarbonylContact C-O 3.45Å; S50-F53 WeakPolarHBondContact CA-O 3.43Å; F53-H61 HydrophobicContact CB-CB 4.26Å; F53-H61 HydrophobicContact CD1-CB 4.21Å; F53-V62 CarbonylContact C-O 3.58Å; F53-V62 VanDerWaalsContact CA-O 3.31Å; F53-V62 WeakPolarHBondContact CA-O 3.41Å; F53-P63 HydrophobicContact CD1-CG 4.11Å; F53-P63 HydrophobicContact CE1-CG 3.78Å; F53-L86 HydrophobicContact CE1-CD1 4.3Å
54	S	93.9	Very high	86.8	Confident	24 Å²	24	47.5 Å²	47.5	17%	0.168	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.5	166	58.2	0	0	0	0	109.8	H61 V62	S54-H61 CarbonylContact O-C 3.6Å; S54-H61 WeakPolarHBondContact O-CA 3.35Å; S54-V62 PolarHBondContact N-O 3.13Å; S54-V62 PolarHBondContact O-N 2.68Å; S54-V62 PolarHBondContact OG-O 3.09Å
55	E	90.8	Very high	88.8	Confident	142 Å²	142	43 Å²	43	66%	0.664	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.2	171.9	-168.7	-178	176.2	0	0	109.3
56	A	88.3	Confident	90.7	Very high	33 Å²	33	37.4 Å²	37.4	27%	0.273	24%	0.235	S	C	.	.			trans	-79.8	155.5	171.6	0	0	0	0	0	110.2	S58 G59 R60 V62	A56-S58 PolarHBondContact O-N 3.05Å; A56-G59 PolarHBondContact O-N 3.49Å; A56-R60 HydrophobicContact CB-CB 4.5Å; A56-R60 WeakPolarHBondContact CB-O 3.4Å; A56-R60 PolarHBondContact N-O 2.89Å; A56-V62 HydrophobicContact CB-CG2 4.14Å
57	G	82.5	Confident	92	Very high	99 Å²	99	34.6 Å²	34.6	100%	1.021	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-10.9	178.7	0	0	0	0	0	115.5	G59	G57-G59 VanDerWaalsContact C-N 3.34Å
58	S	86	Confident	92.8	Very high	92 Å²	92	30.2 Å²	30.2	64%	0.643	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.8	171.2	57.1	0	0	0	0	114.3	A56 R60	A56-S58 PolarHBondContact O-N 3.05Å; S58-R60 VanDerWaalsContact C-N 3.29Å
59	G	86.5	Confident	93.5	Very high	35 Å²	35	29.4 Å²	29.4	36%	0.361	19%	0.191	S	C	.	.	S	Bend	trans	79.3	6.7	-172.1	0	0	0	0	0	114.3	A56 G57 H61	A56-G59 PolarHBondContact O-N 3.49Å; G57-G59 VanDerWaalsContact C-N 3.34Å; G59-H61 PolarHBondContact O-ND1 3.01Å
60	R	92.2	Very high	93.9	Very high	99 Å²	99	28.6 Å²	28.6	37%	0.374	19%	0.187	S	C	.	.			trans	-83.3	142.8	175.9	-68.4	-174.8	-178	-175.4	-2.4	111.2	T35 A56 S58	T35-R60 HydrophobicContact CG2-CG 4.14Å; A56-R60 HydrophobicContact CB-CB 4.5Å; A56-R60 WeakPolarHBondContact CB-O 3.4Å; A56-R60 PolarHBondContact N-O 2.89Å; S58-R60 VanDerWaalsContact C-N 3.29Å
61	H	94.4	Very high	94.1	Very high	11 Å²	11	30.5 Å²	30.5	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110.8	176.3	-63.9	73.2	0	0	0	108.7	I30 G34 F36 F49 F53 S54 G59	I30-H61 HydrophobicContact CD1-CB 4.07Å; I30-H61 HydrophobicContact CG2-CB 4.45Å; G34-H61 WeakPolarHBondContact CA-O 3.4Å; G34-H61 PolarHBondContact O-N 3.07Å; G34-H61 PolarHBondContact O-ND1 3.41Å; F36-H61 AromaticContact CD2-CE1 3.75Å; F36-H61 AromaticContact CD2-ND1 3.94Å; F36-H61 AromaticContact CE2-CE1 3.29Å; F36-H61 WeakPolarHBondContact CE2-CE1 3.49Å; F36-H61 AromaticContact CE2-ND1 3.53Å; F36-H61 AromaticContact CE2-NE2 3.58Å; F49-H61 AromaticContact CD2-CD2 3.65Å; F49-H61 AromaticContact CE2-CD2 3.2Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.47Å; F49-H61 AromaticContact CE2-NE2 3.4Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.37Å; F49-H61 AromaticContact CZ-CD2 3.8Å; F49-H61 AromaticContact CZ-NE2 3.54Å; F53-H61 HydrophobicContact CB-CB 4.26Å; F53-H61 HydrophobicContact CD1-CB 4.21Å; S54-H61 CarbonylContact O-C 3.6Å; S54-H61 WeakPolarHBondContact O-CA 3.35Å; G59-H61 PolarHBondContact O-ND1 3.01Å
62	V	96.6	Very high	94.2	Very high	20 Å²	20	32.3 Å²	32.3	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.5	-174.8	-177.8	0	0	0	0	108.8	F53 S54 A56 H88	F53-V62 CarbonylContact C-O 3.58Å; F53-V62 VanDerWaalsContact CA-O 3.31Å; F53-V62 WeakPolarHBondContact CA-O 3.41Å; S54-V62 PolarHBondContact N-O 3.13Å; S54-V62 PolarHBondContact O-N 2.68Å; S54-V62 PolarHBondContact OG-O 3.09Å; A56-V62 HydrophobicContact CB-CG2 4.14Å; V62-H88 HydrophobicContact CG1-CB 4.03Å
63	P	97.8	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	139	173.4	-32.3	39.9	0	0	0	113.2	W21 F52 F53 A65 L86 F87 Q91	W21-P63 HydrophobicContact CD2-CB 4.05Å; W21-P63 HydrophobicContact CD2-CG 4.21Å; W21-P63 HydrophobicContact CE3-CB 3.76Å; W21-P63 HydrophobicContact CE3-CG 3.81Å; W21-P63 HydrophobicContact CH2-CB 3.66Å; W21-P63 HydrophobicContact CZ2-CB 3.93Å; W21-P63 HydrophobicContact CZ3-CB 3.56Å; W21-P63 HydrophobicContact CZ3-CG 3.99Å; F52-P63 CarbonylContact O-C 3.5Å; F52-P63 WeakPolarHBondContact O-CA 3.45Å; F53-P63 HydrophobicContact CD1-CG 4.11Å; F53-P63 HydrophobicContact CE1-CG 3.78Å; P63-A65 HydrophobicContact CB-CB 3.8Å; P63-A65 PolarHBondContact O-N 3.47Å; P63-L86 VanDerWaalsContact CD-O 3.24Å; P63-L86 WeakPolarHBondContact CD-O 3.37Å; P63-L86 HydrophobicContact CG-CD1 4.26Å; P63-L86 HydrophobicContact CG-CD2 3.75Å; P63-L86 HydrophobicContact CG-CG 3.65Å; P63-F87 HydrophobicContact CB-CD1 3.97Å; P63-F87 HydrophobicContact CB-CE1 3.99Å; P63-F87 HydrophobicContact CG-CD1 3.73Å; P63-F87 HydrophobicContact CG-CE1 3.68Å; P63-Q91 PolarHBondContact O-OE1 3.4Å
64	R	97.5	Very high	94.2	Very high	14 Å²	14	35.7 Å²	35.7	5%	0.053	23%	0.23	C	C	.	.	S	Bend	trans	-78.9	62.3	163.6	-61.9	-179.4	-169.7	-84.5	1.8	108.5	E3 V4 I5 S6 S50 F52 S128 C129	E3-R64 IonicContact OE1-NH2 3.94Å; V4-R64 WeakPolarHBondContact O-CB 3.35Å; I5-R64 WeakPolarHBondContact CA-O 3.4Å; S6-R64 PolarHBondContact N-O 3.16Å; S50-R64 PolarHBondContact O-NE 3.45Å; F52-R64 PolarHBondContact O-N 2.61Å; R64-S128 PolarHBondContact NH1-O 2.95Å; R64-S128 PolarHBondContact NH1-OG 3.35Å; R64-C129 PolarHBondContact NH1-SG 3.23Å; R64-C129 VanDerWaalsContact NH1-SG 3.43Å
65	A	98.2	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.5	-174.1	0	0	0	0	0	110.8	S6 W21 P63 F67 Q91	S6-A65 CarbonylContact O-C 3.55Å; S6-A65 VanDerWaalsContact O-CA 3.23Å; S6-A65 WeakPolarHBondContact O-CA 3.5Å; W21-A65 HydrophobicContact CH2-CB 4.37Å; W21-A65 HydrophobicContact CZ2-CB 3.51Å; P63-A65 HydrophobicContact CB-CB 3.8Å; P63-A65 PolarHBondContact O-N 3.47Å; A65-F67 HydrophobicContact CB-CD2 4.29Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; A65-Q91 VanDerWaalsContact O-CB 3.27Å; A65-Q91 WeakPolarHBondContact O-CB 3.04Å; A65-Q91 VanDerWaalsContact O-CG 3.32Å; A65-Q91 WeakPolarHBondContact O-CG 3.38Å; A65-Q91 PolarHBondContact O-OE1 3.06Å
66	I	98.7	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.3	163.3	-57.4	175.7	0	0	0	106.5	S6 V7 H8 V68 I93 R121 V122 L125	S6-I66 PolarHBondContact O-N 3.43Å; V7-I66 CarbonylContact C-O 3.56Å; V7-I66 WeakPolarHBondContact CA-O 3.27Å; V7-I66 HydrophobicContact CG1-CB 4.34Å; H8-I66 PolarHBondContact N-O 3.17Å; I66-V68 HydrophobicContact CG2-CG2 3.62Å; I66-I93 HydrophobicContact CG2-CD1 3.76Å; I66-I93 HydrophobicContact CG2-CG1 4.48Å; I66-R121 HydrophobicContact CD1-CB 3.93Å; I66-V122 HydrophobicContact CD1-CB 4.26Å; I66-V122 HydrophobicContact CD1-CG2 3.5Å; I66-V122 VanDerWaalsContact CD1-CG2 3.5Å; I66-L125 HydrophobicContact CD1-CD1 3.91Å; I66-L125 HydrophobicContact CG1-CD1 3.55Å
67	F	98.7	Very high	95.1	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130	171.2	-66.3	-104.2	0	0	0	108.1	H8 V14 W21 A65 I75 F87 Q91 L92 I93	H8-F67 HydrophobicContact CB-CD1 3.54Å; H8-F67 HydrophobicContact CB-CE1 3.84Å; H8-F67 HydrophobicContact CB-CG 4.1Å; H8-F67 AromaticContact CD2-CE1 3.81Å; H8-F67 AromaticContact CD2-CE2 3.98Å; H8-F67 AromaticContact CD2-CZ 3.73Å; H8-F67 AromaticContact CG-CD1 3.98Å; H8-F67 AromaticContact CG-CE1 3.77Å; H8-F67 CarbonylContact O-C 3.42Å; H8-F67 WeakPolarHBondContact O-CA 3.48Å; V14-F67 HydrophobicContact CB-CD1 4.21Å; V14-F67 HydrophobicContact CG1-CD1 3.89Å; V14-F67 HydrophobicContact CG1-CE1 4.4Å; V14-F67 HydrophobicContact CG2-CB 4.47Å; V14-F67 HydrophobicContact CG2-CD1 4.08Å; W21-F67 AromaticContact CD1-CZ 3.61Å; W21-F67 AromaticContact NE1-CZ 3.75Å; A65-F67 HydrophobicContact CB-CD2 4.29Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; F67-I75 HydrophobicContact CB-CD1 3.49Å; F67-I75 VanDerWaalsContact CB-CD1 3.49Å; F67-F87 HydrophobicContact CD2-CD1 4.37Å; F67-F87 AromaticContact CE2-CD1 3.54Å; F67-F87 HydrophobicContact CE2-CD1 3.54Å; F67-F87 AromaticContact CE2-CE1 3.37Å; F67-F87 HydrophobicContact CE2-CE1 3.37Å; F67-F87 HydrophobicContact CE2-CG 4.21Å; F67-F87 AromaticContact CE2-CZ 3.9Å; F67-F87 HydrophobicContact CE2-CZ 3.9Å; F67-F87 HydrophobicContact CZ-CD1 4.24Å; F67-F87 AromaticContact CZ-CE1 3.64Å; F67-F87 HydrophobicContact CZ-CE1 3.64Å; F67-F87 HydrophobicContact CZ-CE2 4.42Å; F67-F87 AromaticContact CZ-CZ 3.74Å; F67-F87 HydrophobicContact CZ-CZ 3.74Å; F67-Q91 PolarHBondContact N-O 3.4Å; F67-Q91 VanDerWaalsContact O-O 3.12Å; F67-L92 HydrophobicContact CB-CD2 3.83Å; F67-L92 HydrophobicContact CD2-CD2 3.65Å; F67-L92 HydrophobicContact CE2-CD2 4.45Å; F67-L92 HydrophobicContact CG-CD2 3.91Å; F67-I93 PolarHBondContact O-N 2.97Å
68	V	98.4	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.6	-176.8	-168.2	0	0	0	0	109.3	H8 I9 G10 I66 I93 I114 V118 F149	H8-V68 PolarHBondContact O-N 3.4Å; I9-V68 WeakPolarHBondContact CA-O 3.4Å; G10-V68 PolarHBondContact N-O 2.95Å; I66-V68 HydrophobicContact CG2-CG2 3.62Å; V68-I93 WeakPolarHBondContact CA-O 3.49Å; V68-I93 HydrophobicContact CG2-CB 4.42Å; V68-I93 HydrophobicContact CG2-CD1 4.42Å; V68-I114 HydrophobicContact CG1-CD1 3.51Å; V68-V118 HydrophobicContact CB-CG2 4.5Å; V68-V118 HydrophobicContact CG1-CG2 3.81Å; V68-V118 HydrophobicContact CG2-CG1 3.99Å; V68-V118 HydrophobicContact CG2-CG2 3.8Å; V68-F149 HydrophobicContact CB-CE1 4.2Å; V68-F149 HydrophobicContact CG1-CD1 4.18Å; V68-F149 HydrophobicContact CG1-CE1 3.62Å; V68-F149 HydrophobicContact CG1-CZ 4.12Å; V68-F149 HydrophobicContact CG2-CE1 4.48Å
69	D	98	Very high	96.3	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.032	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.5	159.7	-152.3	-21.8	0	0	0	110.3	G10 Q11 E71 V74 I75 I93 T94 G95 T145	G10-D69 WeakPolarHBondContact CA-OD2 3.31Å; Q11-D69 PolarHBondContact N-OD2 3.2Å; Q11-D69 VanDerWaalsContact N-OD2 3.08Å; D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.41Å; D69-V74 HydrophobicContact CB-CG1 4Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.3Å; D69-I75 HydrophobicContact CB-CG1 3.99Å; D69-I93 PolarHBondContact N-O 2.89Å; D69-I93 VanDerWaalsContact N-O 3.14Å; D69-T94 CarbonylContact O-C 3.55Å; D69-T94 VanDerWaalsContact O-CA 3.26Å; D69-T94 WeakPolarHBondContact O-CA 3.43Å; D69-G95 PolarHBondContact O-N 3.32Å; D69-T145 PolarHBondContact OD1-OG1 3.19Å
70	L	97.4	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-78.4	-17.2	179.8	-63.9	169.9	0	0	0	111.6	G95 K96 E97 A99 I110 I114 T145 F149	L70-G95 CarbonylContact O-C 3.47Å; L70-G95 WeakPolarHBondContact O-CA 3.48Å; L70-G95 PolarHBondContact O-N 3.4Å; L70-K96 PolarHBondContact O-N 3Å; L70-K96 VanDerWaalsContact O-N 3.17Å; L70-E97 CarbonylContact C-O 3.51Å; L70-E97 VanDerWaalsContact C-O 3.28Å; L70-E97 WeakPolarHBondContact CB-O 3.45Å; L70-E97 CarbonylContact O-C 3.6Å; L70-E97 PolarHBondContact O-N 3.3Å; L70-E97 VanDerWaalsContact O-N 3.17Å; L70-A99 HydrophobicContact CD1-CB 3.9Å; L70-I110 HydrophobicContact CB-CG2 4.26Å; L70-I110 HydrophobicContact CD1-CB 4.48Å; L70-I110 HydrophobicContact CD2-CG2 3.97Å; L70-I110 HydrophobicContact CG-CG2 4.46Å; L70-I114 HydrophobicContact CD2-CD1 3.3Å; L70-I114 HydrophobicContact CD2-CG1 3.55Å; L70-I114 HydrophobicContact CG-CD1 4.37Å; L70-T145 HydrophobicContact CD1-CG2 4Å; L70-T145 HydrophobicContact CG-CG2 3.82Å; L70-F149 HydrophobicContact CD1-CB 4.42Å
71	E	95	Very high	96.9	Very high	56 Å²	56	29.5 Å²	29.5	26%	0.262	16%	0.164	S	C	.	.	S	Bend	trans	-120.8	159.3	170.3	64.8	154.8	145.1	0	0	111.9	D69 S73 D98	D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.41Å; E71-S73 WeakPolarHBondContact OE2-CB 3.45Å; E71-S73 PolarHBondContact OE2-OG 3.08Å; E71-D98 HydrophobicContact CB-CB 3.92Å; E71-D98 HydrophobicContact CG-CB 4.03Å
72	P	95.8	Very high	97	Very high	46 Å²	46	35.3 Å²	35.3	30%	0.299	19%	0.189	S	C	.	.	S	Bend	trans	-79.3	-20.3	-172.3	30.4	-35.7	0	0	0	114.9	V74 I75 D76 T94	P72-V74 PolarHBondContact O-N 3.06Å; P72-I75 PolarHBondContact O-N 2.62Å; P72-I75 VanDerWaalsContact O-N 3.14Å; P72-D76 WeakPolarHBondContact O-CB 3.48Å; P72-D76 PolarHBondContact O-N 2.94Å; P72-T94 HydrophobicContact CB-CG2 4.29Å
73	S	95.5	Very high	97	Very high	66 Å²	66	35.4 Å²	35.4	46%	0.462	19%	0.188	S	C	.	.	H	α-helix	trans	-49.4	-58.1	-163	-57.9	0	0	0	0	114.4	E71 D76 E77	E71-S73 WeakPolarHBondContact OE2-CB 3.45Å; E71-S73 PolarHBondContact OE2-OG 3.08Å; S73-D76 PolarHBondContact O-N 3.41Å; S73-E77 PolarHBondContact O-N 3.08Å
74	V	96.2	Very high	96.8	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-73.3	-30.5	-176.4	72.6	0	0	0	0	113	Q11 V14 Q15 D69 P72 E77	Q11-V74 HydrophobicContact CG-CB 4.47Å; Q11-V74 HydrophobicContact CG-CG2 4.2Å; V14-V74 HydrophobicContact CB-CG1 3.96Å; V14-V74 HydrophobicContact CB-CG2 3.9Å; V14-V74 HydrophobicContact CG1-CB 4.36Å; V14-V74 HydrophobicContact CG1-CG1 4.01Å; V14-V74 HydrophobicContact CG1-CG2 3.67Å; V14-V74 HydrophobicContact CG2-CG1 3.96Å; Q15-V74 HydrophobicContact CG-CG2 3.74Å; D69-V74 HydrophobicContact CB-CG1 4Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.3Å; P72-V74 PolarHBondContact O-N 3.06Å; V74-E77 WeakPolarHBondContact O-CB 3.33Å; V74-E77 PolarHBondContact O-N 3.14Å
75	I	97.8	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-74.4	-33.3	178	-59.2	-69.2	0	0	0	110.2	V14 F67 D69 P72 E77 V78 R79 L92 T94	V14-I75 HydrophobicContact CB-CD1 4.41Å; V14-I75 HydrophobicContact CG1-CD1 3.99Å; V14-I75 HydrophobicContact CG2-CD1 3.5Å; V14-I75 VanDerWaalsContact CG2-CD1 3.5Å; F67-I75 HydrophobicContact CB-CD1 3.49Å; F67-I75 VanDerWaalsContact CB-CD1 3.49Å; D69-I75 HydrophobicContact CB-CG1 3.99Å; P72-I75 PolarHBondContact O-N 2.62Å; P72-I75 VanDerWaalsContact O-N 3.14Å; I75-E77 PolarHBondContact O-N 3.46Å; I75-V78 WeakPolarHBondContact O-CA 3.28Å; I75-V78 VanDerWaalsContact O-CB 3.26Å; I75-V78 WeakPolarHBondContact O-CB 2.93Å; I75-V78 PolarHBondContact O-N 3.31Å; I75-R79 HydrophobicContact CG2-CG 4.46Å; I75-R79 WeakPolarHBondContact O-CG 3.45Å; I75-R79 PolarHBondContact O-N 3.2Å; I75-L92 HydrophobicContact CG2-CB 3.79Å; I75-T94 HydrophobicContact CB-CG2 3.4Å; I75-T94 HydrophobicContact CG1-CG2 3.61Å; I75-T94 HydrophobicContact CG2-CG2 3.56Å
76	D	97.3	Very high	96.7	Very high	63 Å²	63	46.5 Å²	46.5	34%	0.337	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-29.9	174.1	-77.8	-11.5	0	0	0	111.8	P72 S73 V78 R79 T80	P72-D76 WeakPolarHBondContact O-CB 3.48Å; P72-D76 PolarHBondContact O-N 2.94Å; S73-D76 PolarHBondContact O-N 3.41Å; D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 3.3Å; D76-R79 PolarHBondContact O-N 2.74Å; D76-R79 WeakPolarHBondContact OD1-CD 3.48Å; D76-R79 IonicContact OD1-CZ 3.7Å; D76-R79 IonicContact OD1-NE 2.73Å; D76-R79 IonicContact OD1-NH1 2.86Å; D76-R79 PolarHBondContact OD1-NH1 2.91Å; D76-T80 WeakPolarHBondContact O-CB 3.27Å; D76-T80 WeakPolarHBondContact O-CG2 3.43Å; D76-T80 PolarHBondContact O-N 2.66Å; D76-T80 PolarHBondContact O-OG1 3.27Å
77	E	96.9	Very high	96.6	Very high	104 Å²	104	46.9 Å²	46.9	49%	0.486	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-38	168.7	-60.7	179.3	177.3	0	0	111.6	S73 V74 I75 G81	S73-E77 PolarHBondContact O-N 3.08Å; V74-E77 WeakPolarHBondContact O-CB 3.33Å; V74-E77 PolarHBondContact O-N 3.14Å; I75-E77 PolarHBondContact O-N 3.46Å; E77-G81 VanDerWaalsContact O-CA 3.31Å; E77-G81 WeakPolarHBondContact O-CA 3.36Å; E77-G81 PolarHBondContact O-N 3.24Å
78	V	97.1	Very high	96.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-46.2	173.7	-171.9	0	0	0	0	110.4	V14 I75 D76 T80 G81 R84 F87 L92	V14-V78 HydrophobicContact CG1-CG2 3.72Å; I75-V78 WeakPolarHBondContact O-CA 3.28Å; I75-V78 VanDerWaalsContact O-CB 3.26Å; I75-V78 WeakPolarHBondContact O-CB 2.93Å; I75-V78 PolarHBondContact O-N 3.31Å; D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 3.3Å; V78-T80 PolarHBondContact O-N 3.21Å; V78-G81 PolarHBondContact O-N 3.46Å; V78-R84 WeakPolarHBondContact O-CA 3.43Å; V78-R84 WeakPolarHBondContact O-CB 3.36Å; V78-F87 HydrophobicContact CG1-CD2 3.52Å; V78-F87 HydrophobicContact CG1-CE2 3.71Å; V78-F87 HydrophobicContact CG1-CG 4.44Å; V78-L92 HydrophobicContact CG1-CD1 4.26Å; V78-L92 HydrophobicContact CG1-CD2 4.07Å
79	R	97	Very high	96.3	Very high	89 Å²	89	55.1 Å²	55.1	34%	0.336	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-25.4	-178.9	-67.4	172.9	-180	154.5	-0.1	113.1	I75 D76 R84 L92 T94	I75-R79 HydrophobicContact CG2-CG 4.46Å; I75-R79 WeakPolarHBondContact O-CG 3.45Å; I75-R79 PolarHBondContact O-N 3.2Å; D76-R79 PolarHBondContact O-N 2.74Å; D76-R79 WeakPolarHBondContact OD1-CD 3.48Å; D76-R79 IonicContact OD1-CZ 3.7Å; D76-R79 IonicContact OD1-NE 2.73Å; D76-R79 IonicContact OD1-NH1 2.86Å; D76-R79 PolarHBondContact OD1-NH1 2.91Å; R79-R84 WeakPolarHBondContact O-CB 3.47Å; R79-L92 HydrophobicContact CG-CD1 3.69Å; R79-L92 PolarHBondContact NH2-O 2.79Å; R79-T94 PolarHBondContact NH2-OG1 3.38Å
80	T	96.6	Very high	96.3	Very high	106 Å²	106	59.4 Å²	59.4	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-106.3	-13	-179.4	59	0	0	0	0	113.5	D76 V78	D76-T80 WeakPolarHBondContact O-CB 3.27Å; D76-T80 WeakPolarHBondContact O-CG2 3.43Å; D76-T80 PolarHBondContact O-N 2.66Å; D76-T80 PolarHBondContact O-OG1 3.27Å; V78-T80 PolarHBondContact O-N 3.21Å
81	G	95.1	Very high	96.3	Very high	29 Å²	29	60.2 Å²	60.2	30%	0.299	31%	0.306	S	S	.	.	S	Bend	trans	-75.2	-179.8	-176.5	0	0	0	0	0	115.2	E77 V78 Y83 R84	E77-G81 VanDerWaalsContact O-CA 3.31Å; E77-G81 WeakPolarHBondContact O-CA 3.36Å; E77-G81 PolarHBondContact O-N 3.24Å; V78-G81 PolarHBondContact O-N 3.46Å; G81-Y83 PolarHBondContact O-N 2.85Å; G81-R84 VanDerWaalsContact O-CB 3.31Å; G81-R84 WeakPolarHBondContact O-CB 3.4Å; G81-R84 WeakPolarHBondContact O-CG 3.23Å; G81-R84 PolarHBondContact O-N 2.6Å; G81-R84 VanDerWaalsContact O-N 3.14Å
82	K	95.2	Very high	96.4	Very high	132 Å²	132	58 Å²	58	57%	0.574	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.9	-178.8	178.5	-177.8	166	-162.1	0	113.2	E22 P32	E22-K82 IonicContact OE1-NZ 3.81Å; E22-K82 PolarHBondContact OE1-NZ 2.88Å; P32-K82 HydrophobicContact CB-CG 4.33Å; P32-K82 WeakPolarHBondContact CB-O 3.37Å; P32-K82 HydrophobicContact CG-CG 4.28Å
83	Y	95.9	Very high	96.5	Very high	23 Å²	23	56.6 Å²	56.6	9%	0.09	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	16.4	-176.7	-69	-87.8	0	0	0	113.7	E22 C25 P32 G81 Q85 L86	E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.96Å; E22-Y83 WeakPolarHBondContact CG-OH 3.49Å; E22-Y83 PolarHBondContact OE1-OH 2.95Å; C25-Y83 HydrophobicContact CB-CE1 3.95Å; P32-Y83 HydrophobicContact CB-CD1 3.67Å; P32-Y83 HydrophobicContact CB-CE1 3.77Å; P32-Y83 HydrophobicContact CB-CG 4.23Å; P32-Y83 HydrophobicContact CG-CD1 4.26Å; P32-Y83 HydrophobicContact CG-CE1 3.83Å; G81-Y83 PolarHBondContact O-N 2.85Å; Y83-Q85 PolarHBondContact O-N 3.3Å; Y83-L86 HydrophobicContact CD1-CB 4.42Å; Y83-L86 HydrophobicContact CD1-CD2 3.85Å; Y83-L86 WeakPolarHBondContact O-CB 3.38Å; Y83-L86 PolarHBondContact O-N 2.84Å
84	R	95.3	Very high	96.6	Very high	147 Å²	147	55.4 Å²	55.4	56%	0.555	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.9	-177.3	66.8	-175.2	-176.6	169.9	-0.3	115.6	V78 R79 G81	V78-R84 WeakPolarHBondContact O-CA 3.43Å; V78-R84 WeakPolarHBondContact O-CB 3.36Å; R79-R84 WeakPolarHBondContact O-CB 3.47Å; G81-R84 VanDerWaalsContact O-CB 3.31Å; G81-R84 WeakPolarHBondContact O-CB 3.4Å; G81-R84 WeakPolarHBondContact O-CG 3.23Å; G81-R84 PolarHBondContact O-N 2.6Å; G81-R84 VanDerWaalsContact O-N 3.14Å
85	Q	95.7	Very high	96.5	Very high	98 Å²	98	55.5 Å²	55.5	46%	0.458	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-10.8	-179.8	-69.6	-177.2	-7.6	0	0	113.2	D33 Y83	D33-Q85 HydrophobicContact CB-CB 4.12Å; Y83-Q85 PolarHBondContact O-N 3.3Å
86	L	97.2	Very high	96.2	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-46.5	-179.1	-175.4	67.9	0	0	0	111.3	W21 C25 I30 P32 F53 P63 Y83	W21-L86 HydrophobicContact CB-CD2 4.48Å; C25-L86 VanDerWaalsContact SG-CD2 3.56Å; I30-L86 HydrophobicContact CG2-CD1 4.26Å; P32-L86 WeakPolarHBondContact O-CB 3.43Å; P32-L86 PolarHBondContact O-N 3.41Å; F53-L86 HydrophobicContact CE1-CD1 4.3Å; P63-L86 VanDerWaalsContact CD-O 3.24Å; P63-L86 WeakPolarHBondContact CD-O 3.37Å; P63-L86 HydrophobicContact CG-CD1 4.26Å; P63-L86 HydrophobicContact CG-CD2 3.75Å; P63-L86 HydrophobicContact CG-CG 3.65Å; Y83-L86 HydrophobicContact CD1-CB 4.42Å; Y83-L86 HydrophobicContact CD1-CD2 3.85Å; Y83-L86 WeakPolarHBondContact O-CB 3.38Å; Y83-L86 PolarHBondContact O-N 2.84Å
87	F	96.8	Very high	95.9	Very high	7 Å²	7	67.3 Å²	67.3	3%	0.031	33%	0.328	C	S	.	.	S	Bend	trans	-85.6	144.4	-172.2	-56.9	-72.7	0	0	0	111.9	W21 P63 F67 V78 L92	W21-F87 HydrophobicContact CB-CE1 4.18Å; W21-F87 HydrophobicContact CB-CZ 3.79Å; W21-F87 AromaticContact CD1-CE1 3.66Å; W21-F87 AromaticContact CD1-CZ 3.78Å; W21-F87 HydrophobicContact CD2-CE1 4.15Å; W21-F87 AromaticContact CG-CE1 3.74Å; W21-F87 HydrophobicContact CG-CE1 3.74Å; W21-F87 AromaticContact CG-CZ 3.8Å; W21-F87 HydrophobicContact CG-CZ 3.8Å; P63-F87 HydrophobicContact CB-CD1 3.97Å; P63-F87 HydrophobicContact CB-CE1 3.99Å; P63-F87 HydrophobicContact CG-CD1 3.73Å; P63-F87 HydrophobicContact CG-CE1 3.68Å; F67-F87 HydrophobicContact CD2-CD1 4.37Å; F67-F87 AromaticContact CE2-CD1 3.54Å; F67-F87 HydrophobicContact CE2-CD1 3.54Å; F67-F87 AromaticContact CE2-CE1 3.37Å; F67-F87 HydrophobicContact CE2-CE1 3.37Å; F67-F87 HydrophobicContact CE2-CG 4.21Å; F67-F87 AromaticContact CE2-CZ 3.9Å; F67-F87 HydrophobicContact CE2-CZ 3.9Å; F67-F87 HydrophobicContact CZ-CD1 4.24Å; F67-F87 AromaticContact CZ-CE1 3.64Å; F67-F87 HydrophobicContact CZ-CE1 3.64Å; F67-F87 HydrophobicContact CZ-CE2 4.42Å; F67-F87 AromaticContact CZ-CZ 3.74Å; F67-F87 HydrophobicContact CZ-CZ 3.74Å; V78-F87 HydrophobicContact CG1-CD2 3.52Å; V78-F87 HydrophobicContact CG1-CE2 3.71Å; V78-F87 HydrophobicContact CG1-CG 4.44Å; F87-L92 HydrophobicContact CB-CD1 4.31Å; F87-L92 HydrophobicContact CB-CD2 4.04Å; F87-L92 HydrophobicContact CB-CG 4.29Å; F87-L92 HydrophobicContact CG-CD2 4.4Å
88	H	95.7	Very high	95.6	Very high	75 Å²	75	65.7 Å²	65.7	35%	0.347	32%	0.322	S	S	.	.			trans	-67.8	128.2	172.5	-164.9	-83.1	0	0	0	109.6	V62 E90 Q91	V62-H88 HydrophobicContact CG1-CB 4.03Å; H88-E90 IonicContact CE1-OE2 2.89Å; H88-E90 PolarHBondContact CE1-OE2 3.06Å; H88-E90 VanDerWaalsContact CE1-OE2 3.32Å; H88-E90 WeakPolarHBondContact ND1-CB 3.29Å; H88-E90 PolarHBondContact ND1-N 3.2Å; H88-E90 PolarHBondContact O-N 2.74Å; H88-E90 VanDerWaalsContact O-N 3.12Å; H88-Q91 HydrophobicContact CB-CB 4.23Å; H88-Q91 HydrophobicContact CB-CG 3.88Å; H88-Q91 WeakPolarHBondContact O-CB 3.48Å; H88-Q91 PolarHBondContact O-N 2.88Å
89	P	96	Very high	95.2	Very high	99 Å²	99	65.7 Å²	65.7	64%	0.643	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-56.1	-36.4	-176.5	-28.6	35.5	0	0	0	113.8	Q91 L92	P89-Q91 PolarHBondContact O-N 3.33Å; P89-L92 PolarHBondContact O-N 3.41Å; P89-L92 VanDerWaalsContact O-N 3.16Å
90	E	96.4	Very high	94.9	Very high	97 Å²	97	64.3 Å²	64.3	45%	0.453	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-74.3	-8.5	178.6	-54.6	-172.5	121.9	0	0	114.9	H88 R121	H88-E90 IonicContact CE1-OE2 2.89Å; H88-E90 PolarHBondContact CE1-OE2 3.06Å; H88-E90 VanDerWaalsContact CE1-OE2 3.32Å; H88-E90 WeakPolarHBondContact ND1-CB 3.29Å; H88-E90 PolarHBondContact ND1-N 3.2Å; H88-E90 PolarHBondContact O-N 2.74Å; H88-E90 VanDerWaalsContact O-N 3.12Å; E90-R121 VanDerWaalsContact CB-CZ 3.42Å; E90-R121 VanDerWaalsContact CD-CZ 3.43Å; E90-R121 PolarHBondContact O-NE 2.8Å; E90-R121 IonicContact OE1-CZ 2.7Å; E90-R121 IonicContact OE1-NH1 2.73Å; E90-R121 IonicContact OE1-NH2 3.67Å; E90-R121 PolarHBondContact OE1-NH2 2.87Å; E90-R121 IonicContact OE2-CZ 3.22Å; E90-R121 VanDerWaalsContact OE2-CZ 3.31Å; E90-R121 IonicContact OE2-NH1 2.78Å; E90-R121 PolarHBondContact OE2-NH1 3.34Å; E90-R121 IonicContact OE2-NH2 3.65Å; E90-R121 PolarHBondContact OE2-NH2 2.96Å
91	Q	97.3	Very high	94.8	Very high	16 Å²	16	62.8 Å²	62.8	8%	0.075	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-91.7	-5.7	171.7	-69.4	162.7	11.3	0	0	111.8	P63 A65 F67 H88 P89 L125	P63-Q91 PolarHBondContact O-OE1 3.4Å; A65-Q91 VanDerWaalsContact O-CB 3.27Å; A65-Q91 WeakPolarHBondContact O-CB 3.04Å; A65-Q91 VanDerWaalsContact O-CG 3.32Å; A65-Q91 WeakPolarHBondContact O-CG 3.38Å; A65-Q91 PolarHBondContact O-OE1 3.06Å; F67-Q91 PolarHBondContact N-O 3.4Å; F67-Q91 VanDerWaalsContact O-O 3.12Å; H88-Q91 HydrophobicContact CB-CB 4.23Å; H88-Q91 HydrophobicContact CB-CG 3.88Å; H88-Q91 WeakPolarHBondContact O-CB 3.48Å; H88-Q91 PolarHBondContact O-N 2.88Å; P89-Q91 PolarHBondContact O-N 3.33Å; Q91-L125 HydrophobicContact CG-CD1 4.44Å
92	L	98.2	Very high	94.8	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	81.8	175.1	-58.1	-177	0	0	0	109	F67 I75 V78 R79 F87 P89	F67-L92 HydrophobicContact CB-CD2 3.83Å; F67-L92 HydrophobicContact CD2-CD2 3.65Å; F67-L92 HydrophobicContact CE2-CD2 4.45Å; F67-L92 HydrophobicContact CG-CD2 3.91Å; I75-L92 HydrophobicContact CG2-CB 3.79Å; V78-L92 HydrophobicContact CG1-CD1 4.26Å; V78-L92 HydrophobicContact CG1-CD2 4.07Å; R79-L92 HydrophobicContact CG-CD1 3.69Å; R79-L92 PolarHBondContact NH2-O 2.79Å; F87-L92 HydrophobicContact CB-CD1 4.31Å; F87-L92 HydrophobicContact CB-CD2 4.04Å; F87-L92 HydrophobicContact CB-CG 4.29Å; F87-L92 HydrophobicContact CG-CD2 4.4Å; P89-L92 PolarHBondContact O-N 3.41Å; P89-L92 VanDerWaalsContact O-N 3.16Å
93	I	98.2	Very high	95	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.8	-170.4	-54.9	170.3	0	0	0	109.2	I66 F67 V68 D69 V117 V118 R121	I66-I93 HydrophobicContact CG2-CD1 3.76Å; I66-I93 HydrophobicContact CG2-CG1 4.48Å; F67-I93 PolarHBondContact O-N 2.97Å; V68-I93 WeakPolarHBondContact CA-O 3.49Å; V68-I93 HydrophobicContact CG2-CB 4.42Å; V68-I93 HydrophobicContact CG2-CD1 4.42Å; D69-I93 PolarHBondContact N-O 2.89Å; D69-I93 VanDerWaalsContact N-O 3.14Å; I93-V117 HydrophobicContact CG2-CG1 4.37Å; I93-V118 HydrophobicContact CD1-CB 4.31Å; I93-V118 HydrophobicContact CD1-CG2 3.78Å; I93-V118 HydrophobicContact CG2-CG2 4.14Å; I93-R121 HydrophobicContact CD1-CB 4.17Å; I93-R121 HydrophobicContact CD1-CG 3.82Å
94	T	97.3	Very high	95.1	Very high	41 Å²	41	54.3 Å²	54.3	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.1	179.5	51	0	0	0	0	110	D69 P72 I75 R79	D69-T94 CarbonylContact O-C 3.55Å; D69-T94 VanDerWaalsContact O-CA 3.26Å; D69-T94 WeakPolarHBondContact O-CA 3.43Å; P72-T94 HydrophobicContact CB-CG2 4.29Å; I75-T94 HydrophobicContact CB-CG2 3.4Å; I75-T94 HydrophobicContact CG1-CG2 3.61Å; I75-T94 HydrophobicContact CG2-CG2 3.56Å; R79-T94 PolarHBondContact NH2-OG1 3.38Å
95	G	94.1	Very high	95.2	Very high	9 Å²	9	48.9 Å²	48.9	9%	0.093	25%	0.254	C	S	.	.			trans	-73.7	-169.2	162	0	0	0	0	0	111.8	D69 L70	D69-G95 PolarHBondContact O-N 3.32Å; L70-G95 CarbonylContact O-C 3.47Å; L70-G95 WeakPolarHBondContact O-CA 3.48Å; L70-G95 PolarHBondContact O-N 3.4Å
96	K	91.6	Very high	95.3	Very high	210 Å²	210	44.2 Å²	44.2	91%	0.913	23%	0.232	S	C	*	.	S	Bend	trans	-113.5	-10.2	-179.7	-63.4	178.2	-175.4	169.8	0	113.3	L70	L70-K96 PolarHBondContact O-N 3Å; L70-K96 VanDerWaalsContact O-N 3.17Å
97	E	90.4	Very high	95.3	Very high	101 Å²	101	44.6 Å²	44.6	47%	0.472	23%	0.234	S	C	.	.	S	Bend	trans	-143.3	132.4	-168.4	-170.6	172.9	162.8	0	0	108.8	L70 R105 I110	L70-E97 CarbonylContact C-O 3.51Å; L70-E97 VanDerWaalsContact C-O 3.28Å; L70-E97 WeakPolarHBondContact CB-O 3.45Å; L70-E97 CarbonylContact O-C 3.6Å; L70-E97 PolarHBondContact O-N 3.3Å; L70-E97 VanDerWaalsContact O-N 3.17Å; E97-R105 IonicContact OE1-CZ 3.86Å; E97-R105 IonicContact OE1-NH1 3.32Å; E97-R105 IonicContact OE1-NH2 3.38Å; E97-R105 PolarHBondContact OE1-NH2 2.84Å; E97-I110 HydrophobicContact CB-CG2 4.48Å
98	D	90.1	Very high	95.4	Very high	69 Å²	69	46.6 Å²	46.6	37%	0.369	24%	0.241	S	C	.	.			trans	-71.6	160.4	-178.9	68.6	56.3	0	0	0	112.4	E71 A100 R105	E71-D98 HydrophobicContact CB-CB 3.92Å; E71-D98 HydrophobicContact CG-CB 4.03Å; D98-A100 PolarHBondContact O-N 3.44Å; D98-A100 VanDerWaalsContact OD1-CA 3.23Å; D98-A100 WeakPolarHBondContact OD1-CA 3.41Å; D98-A100 WeakPolarHBondContact OD1-CB 2.93Å; D98-A100 PolarHBondContact OD1-N 2.98Å; D98-R105 PolarHBondContact O-NE 3.11Å; D98-R105 PolarHBondContact O-NH2 3.03Å
99	A	90.2	Very high	95.4	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	24%	0.236	C	C	.	.			trans	-79.7	-3.5	172.6	0	0	0	0	0	113.1	L70 N101 N102 R105	L70-A99 HydrophobicContact CD1-CB 3.9Å; A99-N101 PolarHBondContact O-N 3.42Å; A99-N101 VanDerWaalsContact O-N 3.09Å; A99-N102 VanDerWaalsContact O-CB 3.3Å; A99-N102 WeakPolarHBondContact O-CB 3.48Å; A99-N102 PolarHBondContact O-N 3.22Å; A99-R105 HydrophobicContact CB-CB 4.27Å; A99-R105 WeakPolarHBondContact O-CD 3.31Å
100	A	90.9	Very high	95.4	Very high	60 Å²	60	40.8 Å²	40.8	50%	0.496	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	36.9	-177.1	0	0	0	0	0	114.6	D98 N102	D98-A100 PolarHBondContact O-N 3.44Å; D98-A100 VanDerWaalsContact OD1-CA 3.23Å; D98-A100 WeakPolarHBondContact OD1-CA 3.41Å; D98-A100 WeakPolarHBondContact OD1-CB 2.93Å; D98-A100 PolarHBondContact OD1-N 2.98Å; A100-N102 PolarHBondContact O-N 3.12Å
101	N	93.2	Very high	95.4	Very high	73 Å²	73	36.2 Å²	36.2	39%	0.39	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	23.4	-171.7	-63.2	-51.5	0	0	0	115.2	A99 A180 V182 N186	A99-N101 PolarHBondContact O-N 3.42Å; A99-N101 VanDerWaalsContact O-N 3.09Å; N101-A180 HydrophobicContact CB-CB 3.72Å; N101-V182 HydrophobicContact CB-CG2 4.42Å; N101-V182 WeakPolarHBondContact O-CG2 3.39Å; N101-N186 PolarHBondContact O-ND2 2.92Å
102	N	96.2	Very high	95.4	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	21%	0.206	C	C	.	.			trans	-106.9	117.2	-179.7	-175.6	-20.5	0	0	0	110.4	A99 A100 A104 R105 G106 W407 Y408	A99-N102 VanDerWaalsContact O-CB 3.3Å; A99-N102 WeakPolarHBondContact O-CB 3.48Å; A99-N102 PolarHBondContact O-N 3.22Å; A100-N102 PolarHBondContact O-N 3.12Å; N102-A104 VanDerWaalsContact C-N 3.27Å; N102-A104 PolarHBondContact O-N 3.09Å; N102-A104 WeakPolarHBondContact OD1-CB 3.38Å; N102-A104 PolarHBondContact OD1-N 3.04Å; N102-R105 HydrophobicContact CB-CB 4.28Å; N102-R105 HydrophobicContact CB-CG 4.04Å; N102-R105 PolarHBondContact O-N 2.99Å; N102-G106 PolarHBondContact O-N 3.27Å; N102-W407 PolarHBondContact ND2-O 2.88Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.23Å
103	Y	98.1	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-49.8	-47.1	173.7	176.3	-87.6	0	0	0	112.3	R105 G106 H107 Y108 G148 S151 N186 L189 T190 T193	Y103-R105 PolarHBondContact O-N 3.2Å; Y103-G106 CarbonylContact O-C 3.5Å; Y103-G106 WeakPolarHBondContact O-CA 3.42Å; Y103-G106 PolarHBondContact O-N 3.35Å; Y103-H107 HydrophobicContact CD1-CB 4.26Å; Y103-H107 HydrophobicContact CE1-CB 3.85Å; Y103-H107 PolarHBondContact O-N 3.29Å; Y103-Y108 HydrophobicContact CE1-CE2 4.32Å; Y103-G148 VanDerWaalsContact CE2-CA 3.49Å; Y103-G148 WeakPolarHBondContact O-CA 3.16Å; Y103-S151 WeakPolarHBondContact CE2-OG 3.5Å; Y103-S151 WeakPolarHBondContact OH-CB 3.33Å; Y103-S151 PolarHBondContact OH-OG 2.98Å; Y103-N186 VanDerWaalsContact CB-OD1 3.27Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.28Å; Y103-N186 PolarHBondContact N-OD1 3.4Å; Y103-L189 HydrophobicContact CD1-CB 4.04Å; Y103-L189 HydrophobicContact CD1-CD1 3.8Å; Y103-L189 HydrophobicContact CD1-CG 4.48Å; Y103-L189 HydrophobicContact CD2-CB 3.86Å; Y103-L189 HydrophobicContact CE1-CB 4.03Å; Y103-L189 HydrophobicContact CE1-CD1 4.41Å; Y103-L189 HydrophobicContact CE2-CB 3.84Å; Y103-L189 HydrophobicContact CG-CB 3.98Å; Y103-L189 HydrophobicContact CG-CD1 3.97Å; Y103-T190 WeakPolarHBondContact CE2-OG1 3.36Å; Y103-T193 WeakPolarHBondContact OH-CB 3.3Å; Y103-T193 PolarHBondContact OH-OG1 3.26Å
104	A	98.1	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-31.2	-173.9	0	0	0	0	0	112	N102 H107 Y108 Y408 E411 M413	N102-A104 VanDerWaalsContact C-N 3.27Å; N102-A104 PolarHBondContact O-N 3.09Å; N102-A104 WeakPolarHBondContact OD1-CB 3.38Å; N102-A104 PolarHBondContact OD1-N 3.04Å; A104-H107 PolarHBondContact O-N 3.38Å; A104-Y108 HydrophobicContact CB-CD2 3.95Å; A104-Y108 WeakPolarHBondContact O-CA 3.35Å; A104-Y108 WeakPolarHBondContact O-CB 3.29Å; A104-Y108 PolarHBondContact O-N 2.61Å; A104-Y408 HydrophobicContact CB-CD1 4.04Å; A104-Y408 HydrophobicContact CB-CG 4.36Å; A104-E411 HydrophobicContact CB-CB 3.78Å; A104-E411 HydrophobicContact CB-CG 4.45Å; A104-M413 HydrophobicContact CB-CB 3.97Å; A104-M413 HydrophobicContact CB-SD 4.24Å
105	R	97.2	Very high	95.2	Very high	32 Å²	32	45.4 Å²	45.4	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-41.9	171.2	-71.2	-179.3	63.3	85.1	-0.8	112.2	E97 D98 A99 N102 Y103 H107 T109 I110 G111 E411	E97-R105 IonicContact OE1-CZ 3.86Å; E97-R105 IonicContact OE1-NH1 3.32Å; E97-R105 IonicContact OE1-NH2 3.38Å; E97-R105 PolarHBondContact OE1-NH2 2.84Å; D98-R105 PolarHBondContact O-NE 3.11Å; D98-R105 PolarHBondContact O-NH2 3.03Å; A99-R105 HydrophobicContact CB-CB 4.27Å; A99-R105 WeakPolarHBondContact O-CD 3.31Å; N102-R105 HydrophobicContact CB-CB 4.28Å; N102-R105 HydrophobicContact CB-CG 4.04Å; N102-R105 PolarHBondContact O-N 2.99Å; Y103-R105 PolarHBondContact O-N 3.2Å; R105-H107 VanDerWaalsContact C-N 3.31Å; R105-H107 PolarHBondContact O-N 3.27Å; R105-T109 WeakPolarHBondContact CA-OG1 3.42Å; R105-T109 PolarHBondContact O-OG1 2.8Å; R105-I110 HydrophobicContact CB-CG1 4.48Å; R105-I110 PolarHBondContact O-N 3.1Å; R105-G111 PolarHBondContact O-N 3.18Å; R105-G111 VanDerWaalsContact O-N 3.16Å; R105-E411 WeakPolarHBondContact CD-OE1 3.42Å; R105-E411 HydrophobicContact CG-CG 3.57Å; R105-E411 VanDerWaalsContact CG-OE1 3.27Å; R105-E411 WeakPolarHBondContact CG-OE1 3.27Å; R105-E411 IonicContact CZ-OE1 3.5Å; R105-E411 IonicContact NE-OE1 3.47Å; R105-E411 IonicContact NH1-OE1 2.73Å; R105-E411 PolarHBondContact NH1-OE1 3.25Å; R105-E411 IonicContact NH1-OE2 3.23Å
106	G	97.5	Very high	95.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-29.8	176.3	0	0	0	0	0	113.7	N102 Y103 G111 G148 F149	N102-G106 PolarHBondContact O-N 3.27Å; Y103-G106 CarbonylContact O-C 3.5Å; Y103-G106 WeakPolarHBondContact O-CA 3.42Å; Y103-G106 PolarHBondContact O-N 3.35Å; G106-G111 VanDerWaalsContact O-CA 3.27Å; G106-G111 WeakPolarHBondContact O-CA 3.31Å; G106-G148 VanDerWaalsContact C-C 3.47Å; G106-G148 CarbonylContact O-C 3.52Å; G106-F149 WeakPolarHBondContact O-CA 3.35Å; G106-F149 WeakPolarHBondContact O-CB 3.42Å; G106-F149 PolarHBondContact O-N 3.36Å
107	H	98.3	Very high	95.7	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.046	23%	0.23	C	C	.	.	H	α-helix	trans	-104.6	-45.9	-173.2	-171.6	-90.9	0	0	0	113.9	Y103 A104 R105 K112 G148 L152 E155	Y103-H107 HydrophobicContact CD1-CB 4.26Å; Y103-H107 HydrophobicContact CE1-CB 3.85Å; Y103-H107 PolarHBondContact O-N 3.29Å; A104-H107 PolarHBondContact O-N 3.38Å; R105-H107 VanDerWaalsContact C-N 3.31Å; R105-H107 PolarHBondContact O-N 3.27Å; H107-K112 WeakPolarHBondContact O-CE 3.34Å; H107-K112 WeakPolarHBondContact O-CG 3.46Å; H107-G148 WeakPolarHBondContact CB-O 3.35Å; H107-G148 PolarHBondContact CD2-O 3.37Å; H107-L152 PolarHBondContact CD2-N 3.34Å; H107-E155 IonicContact CD2-OE1 3.89Å; H107-E155 IonicContact CE1-OE1 3.54Å; H107-E155 IonicContact NE2-OE1 2.77Å; H107-E155 PolarHBondContact NE2-OE1 3.02Å; H107-E155 IonicContact NE2-OE2 3.89Å
108	Y	97.6	Very high	96.1	Very high	50 Å²	50	39.4 Å²	39.4	20%	0.196	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-28.1	-169.5	-67.2	-72.1	0	0	0	114.8	Y103 A104 K112 E411 M413 E417	Y103-Y108 HydrophobicContact CE1-CE2 4.32Å; A104-Y108 HydrophobicContact CB-CD2 3.95Å; A104-Y108 WeakPolarHBondContact O-CA 3.35Å; A104-Y108 WeakPolarHBondContact O-CB 3.29Å; A104-Y108 PolarHBondContact O-N 2.61Å; Y108-K112 VanDerWaalsContact O-CD 3.23Å; Y108-K112 WeakPolarHBondContact O-CD 3.43Å; Y108-K112 WeakPolarHBondContact O-CE 3.2Å; Y108-K112 PolarHBondContact O-NZ 2.63Å; Y108-E411 WeakPolarHBondContact CB-O 3.33Å; Y108-M413 HydrophobicContact CD2-CB 3.75Å; Y108-M413 HydrophobicContact CD2-CG 4.23Å; Y108-M413 HydrophobicContact CE2-CB 3.67Å; Y108-M413 HydrophobicContact CE2-CG 3.64Å; Y108-M413 HydrophobicContact CE2-SD 4.36Å; Y108-E417 PolarHBondContact OH-OE1 3.49Å; Y108-E417 PolarHBondContact OH-OE2 3.16Å
109	T	96.4	Very high	96.5	Very high	39 Å²	39	37 Å²	37	24%	0.239	19%	0.194	C	C	.	.	S	Bend	trans	-119.5	-92.9	-174.6	60.5	0	0	0	0	112.7	R105 G111 K112 E411	R105-T109 WeakPolarHBondContact CA-OG1 3.42Å; R105-T109 PolarHBondContact O-OG1 2.8Å; T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 2.76Å; T109-K112 WeakPolarHBondContact O-CB 3.2Å; T109-K112 PolarHBondContact O-N 3.43Å; T109-E411 WeakPolarHBondContact CB-OE2 3.48Å; T109-E411 HydrophobicContact CG2-CB 4.11Å; T109-E411 WeakPolarHBondContact CG2-O 3.41Å; T109-E411 VanDerWaalsContact CG2-OE2 3.23Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.5Å; T109-E411 PolarHBondContact OG1-OE2 3.1Å
110	I	96.3	Very high	96.9	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-58.5	-38.5	-171.7	-47.1	-57.2	0	0	0	111.4	L70 E97 R105 K112 E113	L70-I110 HydrophobicContact CB-CG2 4.26Å; L70-I110 HydrophobicContact CD1-CB 4.48Å; L70-I110 HydrophobicContact CD2-CG2 3.97Å; L70-I110 HydrophobicContact CG-CG2 4.46Å; E97-I110 HydrophobicContact CB-CG2 4.48Å; R105-I110 HydrophobicContact CB-CG1 4.48Å; R105-I110 PolarHBondContact O-N 3.1Å; I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 3.27Å; I110-E113 WeakPolarHBondContact O-CB 3.43Å; I110-E113 PolarHBondContact O-N 3.15Å; I110-E113 VanDerWaalsContact O-N 3.12Å
111	G	96.9	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-35.5	175.9	0	0	0	0	0	114.4	R105 G106 T109 E113 I114 I115 F149	R105-G111 PolarHBondContact O-N 3.18Å; R105-G111 VanDerWaalsContact O-N 3.16Å; G106-G111 VanDerWaalsContact O-CA 3.27Å; G106-G111 WeakPolarHBondContact O-CA 3.31Å; T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 2.76Å; G111-E113 PolarHBondContact O-N 2.67Å; G111-I114 WeakPolarHBondContact O-CG1 3.24Å; G111-I114 PolarHBondContact O-N 2.88Å; G111-I115 PolarHBondContact O-N 3.21Å; G111-F149 WeakPolarHBondContact O-CE2 3.33Å
112	K	96.4	Very high	97.5	Very high	106 Å²	106	34.9 Å²	34.9	46%	0.461	17%	0.171	S	C	.	.	H	α-helix	trans	-66.8	-24	176.2	-67.7	-167.2	-178.6	154.9	0	112.7	H107 Y108 T109 I110 I114 I115 L152	H107-K112 WeakPolarHBondContact O-CE 3.34Å; H107-K112 WeakPolarHBondContact O-CG 3.46Å; Y108-K112 VanDerWaalsContact O-CD 3.23Å; Y108-K112 WeakPolarHBondContact O-CD 3.43Å; Y108-K112 WeakPolarHBondContact O-CE 3.2Å; Y108-K112 PolarHBondContact O-NZ 2.63Å; T109-K112 WeakPolarHBondContact O-CB 3.2Å; T109-K112 PolarHBondContact O-N 3.43Å; I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 3.27Å; K112-I114 VanDerWaalsContact C-N 3.3Å; K112-I115 WeakPolarHBondContact O-CG2 3.45Å; K112-L152 HydrophobicContact CG-CD2 4.04Å
113	E	95.8	Very high	97.6	Very high	149 Å²	149	38.7 Å²	38.7	70%	0.696	19%	0.185	S	C	*	.	H	α-helix	trans	-71.6	-27.5	176.8	-57.1	-170.3	171	0	0	112.5	I110 G111	I110-E113 WeakPolarHBondContact O-CB 3.43Å; I110-E113 PolarHBondContact O-N 3.15Å; I110-E113 VanDerWaalsContact O-N 3.12Å; G111-E113 PolarHBondContact O-N 2.67Å
114	I	96.5	Very high	97.6	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-108.7	-16.3	-174.9	68	150.6	0	0	0	114.2	V68 L70 G111 K112 D116 V117 V118 F149	V68-I114 HydrophobicContact CG1-CD1 3.51Å; L70-I114 HydrophobicContact CD2-CD1 3.3Å; L70-I114 HydrophobicContact CD2-CG1 3.55Å; L70-I114 HydrophobicContact CG-CD1 4.37Å; G111-I114 WeakPolarHBondContact O-CG1 3.24Å; G111-I114 PolarHBondContact O-N 2.88Å; K112-I114 VanDerWaalsContact C-N 3.3Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.2Å; I114-V117 WeakPolarHBondContact O-CB 3.38Å; I114-V117 PolarHBondContact O-N 3.43Å; I114-V118 HydrophobicContact CD1-CG2 4.36Å; I114-V118 PolarHBondContact O-N 3.35Å; I114-V118 VanDerWaalsContact O-N 3.08Å; I114-F149 HydrophobicContact CD1-CD2 4.2Å; I114-F149 HydrophobicContact CD1-CE1 4.37Å; I114-F149 HydrophobicContact CD1-CE2 3.76Å; I114-F149 HydrophobicContact CD1-CZ 3.87Å; I114-F149 HydrophobicContact CG1-CD2 4.19Å; I114-F149 HydrophobicContact CG1-CE2 3.63Å; I114-F149 HydrophobicContact CG1-CZ 4.12Å
115	I	98.1	Very high	97.5	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-56.3	-41.4	-173.5	-174.1	58.8	0	0	0	112.8	G111 K112 V117 V118 M119 F149 L152 L153 R156	G111-I115 PolarHBondContact O-N 3.21Å; K112-I115 WeakPolarHBondContact O-CG2 3.45Å; I115-V117 VanDerWaalsContact C-N 3.29Å; I115-V117 PolarHBondContact O-N 2.92Å; I115-V118 PolarHBondContact O-N 3.21Å; I115-V118 VanDerWaalsContact O-N 3.16Å; I115-M119 HydrophobicContact CD1-CG 4.1Å; I115-M119 HydrophobicContact CG1-CG 4.22Å; I115-M119 WeakPolarHBondContact O-CB 3.38Å; I115-M119 WeakPolarHBondContact O-CG 3.26Å; I115-M119 PolarHBondContact O-N 3.21Å; I115-F149 HydrophobicContact CB-CE2 4.07Å; I115-F149 HydrophobicContact CD1-CE2 3.93Å; I115-F149 HydrophobicContact CD1-CZ 3.89Å; I115-L152 HydrophobicContact CB-CD2 3.91Å; I115-L152 HydrophobicContact CB-CG 4.48Å; I115-L152 HydrophobicContact CD1-CG 4.32Å; I115-L152 HydrophobicContact CG1-CD2 4.11Å; I115-L152 HydrophobicContact CG1-CG 4.12Å; I115-L152 HydrophobicContact CG2-CD2 4.2Å; I115-L153 HydrophobicContact CD1-CB 4.18Å; I115-L153 HydrophobicContact CD1-CD1 3.81Å; I115-R156 HydrophobicContact CD1-CG 4.2Å; I115-R156 HydrophobicContact CG1-CG 3.92Å
116	D	98.1	Very high	97.5	Very high	117 Å²	117	44.6 Å²	44.6	63%	0.626	21%	0.21	S	C	*	.	H	α-helix	trans	-65	-35	-179.9	-69.8	-21.7	0	0	0	111.9	I114 D120	I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.2Å; D116-D120 PolarHBondContact O-N 3.4Å
117	V	98	Very high	97.5	Very high	77 Å²	77	50.7 Å²	50.7	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-44.2	175.1	-178.7	0	0	0	0	110	I93 I114 I115 D120 R121	I93-V117 HydrophobicContact CG2-CG1 4.37Å; I114-V117 WeakPolarHBondContact O-CB 3.38Å; I114-V117 PolarHBondContact O-N 3.43Å; I115-V117 VanDerWaalsContact C-N 3.29Å; I115-V117 PolarHBondContact O-N 2.92Å; V117-D120 PolarHBondContact O-N 3.11Å; V117-R121 WeakPolarHBondContact O-CG 3.29Å; V117-R121 PolarHBondContact O-N 3.4Å; V117-R121 VanDerWaalsContact O-N 3.16Å
118	V	98.5	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-45.4	177.5	178.1	0	0	0	0	110.5	V68 I93 I114 I115 D120 R121 V122 F149 L153	V68-V118 HydrophobicContact CB-CG2 4.5Å; V68-V118 HydrophobicContact CG1-CG2 3.81Å; V68-V118 HydrophobicContact CG2-CG1 3.99Å; V68-V118 HydrophobicContact CG2-CG2 3.8Å; I93-V118 HydrophobicContact CD1-CB 4.31Å; I93-V118 HydrophobicContact CD1-CG2 3.78Å; I93-V118 HydrophobicContact CG2-CG2 4.14Å; I114-V118 HydrophobicContact CD1-CG2 4.36Å; I114-V118 PolarHBondContact O-N 3.35Å; I114-V118 VanDerWaalsContact O-N 3.08Å; I115-V118 PolarHBondContact O-N 3.21Å; I115-V118 VanDerWaalsContact O-N 3.16Å; V118-D120 PolarHBondContact O-N 3.48Å; V118-R121 PolarHBondContact O-N 3.03Å; V118-R121 VanDerWaalsContact O-N 3.11Å; V118-V122 HydrophobicContact CG1-CG2 4.45Å; V118-V122 WeakPolarHBondContact O-CG2 3.36Å; V118-V122 PolarHBondContact O-N 3.43Å; V118-F149 HydrophobicContact CB-CZ 4.13Å; V118-F149 HydrophobicContact CG1-CZ 4.32Å; V118-F149 HydrophobicContact CG2-CE1 4.26Å; V118-F149 HydrophobicContact CG2-CZ 3.71Å; V118-L153 HydrophobicContact CG1-CD1 3.94Å
119	M	98.5	Very high	97.2	Very high	18 Å²	18	51.6 Å²	51.6	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-37.5	178.2	-71.4	-56.6	-65.1	0	0	112.7	I115 R121 V122 R123 L153 R156 L157 D160 Y161	I115-M119 HydrophobicContact CD1-CG 4.1Å; I115-M119 HydrophobicContact CG1-CG 4.22Å; I115-M119 WeakPolarHBondContact O-CB 3.38Å; I115-M119 WeakPolarHBondContact O-CG 3.26Å; I115-M119 PolarHBondContact O-N 3.21Å; M119-R121 VanDerWaalsContact C-N 3.29Å; M119-R121 PolarHBondContact O-N 2.92Å; M119-V122 PolarHBondContact O-N 3.44Å; M119-R123 WeakPolarHBondContact O-CB 3.45Å; M119-R123 PolarHBondContact O-N 3.01Å; M119-L153 HydrophobicContact SD-CD1 3.71Å; M119-R156 HydrophobicContact CE-CB 3.96Å; M119-R156 HydrophobicContact CG-CB 4.12Å; M119-R156 HydrophobicContact SD-CB 3.72Å; M119-L157 HydrophobicContact CE-CD2 4.35Å; M119-L157 HydrophobicContact SD-CD2 4.23Å; M119-D160 HydrophobicContact CE-CB 4.12Å; M119-D160 WeakPolarHBondContact CE-OD2 3.19Å; M119-Y161 HydrophobicContact CE-CE2 4.18Å
120	D	98.4	Very high	97	Very high	49 Å²	49	55 Å²	55	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-38.3	172.1	-175.3	62.2	0	0	0	111.7	D116 V117 V118 R123 R124	D116-D120 PolarHBondContact O-N 3.4Å; V117-D120 PolarHBondContact O-N 3.11Å; V118-D120 PolarHBondContact O-N 3.48Å; D120-R123 PolarHBondContact O-N 2.89Å; D120-R123 IonicContact OD1-CZ 2.65Å; D120-R123 IonicContact OD1-NE 2.61Å; D120-R123 IonicContact OD1-NH2 3.11Å; D120-R123 PolarHBondContact OD1-NH2 2.82Å; D120-R124 WeakPolarHBondContact O-CG 3.31Å; D120-R124 PolarHBondContact O-N 3.38Å; D120-R124 IonicContact OD1-NE 3.34Å; D120-R124 IonicContact OD1-NH2 3.82Å; D120-R124 IonicContact OD2-CZ 3.72Å; D120-R124 IonicContact OD2-NE 3.31Å; D120-R124 PolarHBondContact OD2-NE 2.83Å; D120-R124 IonicContact OD2-NH2 2.81Å; D120-R124 PolarHBondContact OD2-NH2 2.91Å
121	R	98.1	Very high	96.8	Very high	45 Å²	45	55.7 Å²	55.7	17%	0.17	28%	0.284	C	S	.	.	H	α-helix	trans	-70.3	-41.4	176.3	-63.6	-56.7	173.8	-177.1	-0.9	112.6	I66 E90 I93 V117 V118 M119 R123 R124 L125	I66-R121 HydrophobicContact CD1-CB 3.93Å; E90-R121 VanDerWaalsContact CB-CZ 3.42Å; E90-R121 VanDerWaalsContact CD-CZ 3.43Å; E90-R121 PolarHBondContact O-NE 2.8Å; E90-R121 IonicContact OE1-CZ 2.7Å; E90-R121 IonicContact OE1-NH1 2.73Å; E90-R121 IonicContact OE1-NH2 3.67Å; E90-R121 PolarHBondContact OE1-NH2 2.87Å; E90-R121 IonicContact OE2-CZ 3.22Å; E90-R121 VanDerWaalsContact OE2-CZ 3.31Å; E90-R121 IonicContact OE2-NH1 2.78Å; E90-R121 PolarHBondContact OE2-NH1 3.34Å; E90-R121 IonicContact OE2-NH2 3.65Å; E90-R121 PolarHBondContact OE2-NH2 2.96Å; I93-R121 HydrophobicContact CD1-CB 4.17Å; I93-R121 HydrophobicContact CD1-CG 3.82Å; V117-R121 WeakPolarHBondContact O-CG 3.29Å; V117-R121 PolarHBondContact O-N 3.4Å; V117-R121 VanDerWaalsContact O-N 3.16Å; V118-R121 PolarHBondContact O-N 3.03Å; V118-R121 VanDerWaalsContact O-N 3.11Å; M119-R121 VanDerWaalsContact C-N 3.29Å; M119-R121 PolarHBondContact O-N 2.92Å; R121-R123 VanDerWaalsContact C-N 3.28Å; R121-R123 PolarHBondContact O-N 2.91Å; R121-R124 PolarHBondContact O-N 3.5Å; R121-L125 PolarHBondContact O-N 3.14Å
122	V	98.5	Very high	96.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-46.2	171.3	169.8	0	0	0	0	110.1	I66 V118 M119 L125 S126 F135 L157 Y161	I66-V122 HydrophobicContact CD1-CB 4.26Å; I66-V122 HydrophobicContact CD1-CG2 3.5Å; I66-V122 VanDerWaalsContact CD1-CG2 3.5Å; V118-V122 HydrophobicContact CG1-CG2 4.45Å; V118-V122 WeakPolarHBondContact O-CG2 3.36Å; V118-V122 PolarHBondContact O-N 3.43Å; M119-V122 PolarHBondContact O-N 3.44Å; V122-L125 PolarHBondContact O-N 3.22Å; V122-S126 VanDerWaalsContact O-CB 3.29Å; V122-S126 WeakPolarHBondContact O-CB 3.45Å; V122-S126 PolarHBondContact O-N 2.95Å; V122-S126 PolarHBondContact O-OG 2.75Å; V122-F135 HydrophobicContact CG1-CE1 3.73Å; V122-F135 HydrophobicContact CG1-CZ 3.97Å; V122-L157 HydrophobicContact CG1-CD2 3.85Å; V122-L157 HydrophobicContact CG2-CD2 4.48Å; V122-Y161 HydrophobicContact CG1-CD2 4.36Å; V122-Y161 HydrophobicContact CG1-CE2 3.62Å
123	R	98.3	Very high	96.6	Very high	87 Å²	87	53 Å²	53	33%	0.328	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-50.9	178.5	-173.4	-172.5	62.5	74	7	112.5	M119 D120 R121 L125 S126 E127 Y161	M119-R123 WeakPolarHBondContact O-CB 3.45Å; M119-R123 PolarHBondContact O-N 3.01Å; D120-R123 PolarHBondContact O-N 2.89Å; D120-R123 IonicContact OD1-CZ 2.65Å; D120-R123 IonicContact OD1-NE 2.61Å; D120-R123 IonicContact OD1-NH2 3.11Å; D120-R123 PolarHBondContact OD1-NH2 2.82Å; R121-R123 VanDerWaalsContact C-N 3.28Å; R121-R123 PolarHBondContact O-N 2.91Å; R123-L125 PolarHBondContact O-N 3.34Å; R123-S126 WeakPolarHBondContact O-CB 3.15Å; R123-S126 PolarHBondContact O-N 2.7Å; R123-E127 HydrophobicContact CG-CG 4.48Å; R123-E127 WeakPolarHBondContact CG-OE1 3.44Å; R123-E127 IonicContact CZ-OE1 2.86Å; R123-E127 IonicContact CZ-OE2 3.45Å; R123-E127 IonicContact NH1-OE1 3.83Å; R123-E127 PolarHBondContact NH1-OE1 3.05Å; R123-E127 IonicContact NH1-OE2 2.79Å; R123-E127 PolarHBondContact NH1-OE2 3.13Å; R123-E127 WeakPolarHBondContact O-CB 3.23Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.46Å; R123-Y161 VanDerWaalsContact CA-OH 3.25Å; R123-Y161 WeakPolarHBondContact CA-OH 3.46Å
124	R	97.7	Very high	96.6	Very high	129 Å²	129	45.9 Å²	45.9	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-43	178.6	-70.5	173.9	-170.1	-87	-2.8	112.6	D120 R121 S126 S128	D120-R124 WeakPolarHBondContact O-CG 3.31Å; D120-R124 PolarHBondContact O-N 3.38Å; D120-R124 IonicContact OD1-NE 3.34Å; D120-R124 IonicContact OD1-NH2 3.82Å; D120-R124 IonicContact OD2-CZ 3.72Å; D120-R124 IonicContact OD2-NE 3.31Å; D120-R124 PolarHBondContact OD2-NE 2.83Å; D120-R124 IonicContact OD2-NH2 2.81Å; D120-R124 PolarHBondContact OD2-NH2 2.91Å; R121-R124 PolarHBondContact O-N 3.5Å; R124-S126 VanDerWaalsContact C-N 3.34Å; R124-S128 PolarHBondContact O-N 2.83Å; R124-S128 VanDerWaalsContact O-N 3.12Å
125	L	97.2	Very high	96.6	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-41.6	175.7	-80.5	-179.5	0	0	0	111.4	I5 I66 Q91 R121 V122 R123 S128 C129	I5-L125 HydrophobicContact CD1-CB 3.68Å; I5-L125 HydrophobicContact CG1-CB 4.22Å; I5-L125 HydrophobicContact CG2-CD1 4.15Å; I66-L125 HydrophobicContact CD1-CD1 3.91Å; I66-L125 HydrophobicContact CG1-CD1 3.55Å; Q91-L125 HydrophobicContact CG-CD1 4.44Å; R121-L125 PolarHBondContact O-N 3.14Å; V122-L125 PolarHBondContact O-N 3.22Å; R123-L125 PolarHBondContact O-N 3.34Å; L125-S128 PolarHBondContact O-N 2.97Å; L125-S128 PolarHBondContact O-OG 2.96Å; L125-C129 PolarHBondContact O-N 3.01Å; L125-C129 PolarHBondContact O-SG 2.84Å
126	S	96.9	Very high	96.6	Very high	14 Å²	14	45 Å²	45	10%	0.098	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-43.4	178.4	-59.3	0	0	0	0	112	I5 V122 R123 R124 S128 C129	I5-S126 WeakPolarHBondContact CD1-OG 3.4Å; V122-S126 VanDerWaalsContact O-CB 3.29Å; V122-S126 WeakPolarHBondContact O-CB 3.45Å; V122-S126 PolarHBondContact O-N 2.95Å; V122-S126 PolarHBondContact O-OG 2.75Å; R123-S126 WeakPolarHBondContact O-CB 3.15Å; R123-S126 PolarHBondContact O-N 2.7Å; R124-S126 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 3.3Å; S126-C129 WeakPolarHBondContact O-CB 3.14Å; S126-C129 PolarHBondContact O-N 2.99Å
127	E	96.3	Very high	96.6	Very high	129 Å²	129	39.4 Å²	39.4	60%	0.603	21%	0.206	S	C	*	.	H	α-helix	trans	-64.3	-28.1	175.4	-73.4	170.9	178	0	0	112.6	R123 C129	R123-E127 HydrophobicContact CG-CG 4.48Å; R123-E127 WeakPolarHBondContact CG-OE1 3.44Å; R123-E127 IonicContact CZ-OE1 2.86Å; R123-E127 IonicContact CZ-OE2 3.45Å; R123-E127 IonicContact NH1-OE1 3.83Å; R123-E127 PolarHBondContact NH1-OE1 3.05Å; R123-E127 IonicContact NH1-OE2 2.79Å; R123-E127 PolarHBondContact NH1-OE2 3.13Å; R123-E127 WeakPolarHBondContact O-CB 3.23Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.46Å; E127-C129 VanDerWaalsContact C-N 3.26Å; E127-C129 PolarHBondContact O-N 3.34Å
128	S	94.6	Very high	96.7	Very high	60 Å²	60	35.8 Å²	35.8	42%	0.42	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.9	174.3	80.5	0	0	0	0	114.1	R64 R124 L125 S126	R64-S128 PolarHBondContact NH1-O 2.95Å; R64-S128 PolarHBondContact NH1-OG 3.35Å; R124-S128 PolarHBondContact O-N 2.83Å; R124-S128 VanDerWaalsContact O-N 3.12Å; L125-S128 PolarHBondContact O-N 2.97Å; L125-S128 PolarHBondContact O-OG 2.96Å; S126-S128 PolarHBondContact O-N 3.3Å
129	C	95.3	Very high	96.7	Very high	18 Å²	18	35.8 Å²	35.8	12%	0.122	18%	0.184	C	C	.	.			trans	-92.1	137.9	175.7	-62	0	0	0	0	110.1	E3 R64 L125 S126 E127 L132	E3-C129 HydrophobicContact CB-CB 4.02Å; E3-C129 HydrophobicContact CG-CB 4.37Å; E3-C129 WeakPolarHBondContact OE1-CA 3.37Å; R64-C129 PolarHBondContact NH1-SG 3.23Å; R64-C129 VanDerWaalsContact NH1-SG 3.43Å; L125-C129 PolarHBondContact O-N 3.01Å; L125-C129 PolarHBondContact O-SG 2.84Å; S126-C129 WeakPolarHBondContact O-CB 3.14Å; S126-C129 PolarHBondContact O-N 2.99Å; E127-C129 VanDerWaalsContact C-N 3.26Å; E127-C129 PolarHBondContact O-N 3.34Å; C129-L132 HydrophobicContact CB-CB 4.09Å
130	T	93	Very high	96.6	Very high	110 Å²	110	35.6 Å²	35.6	68%	0.675	18%	0.184	S	C	*	.	S	Bend	trans	-74.6	-28.3	172.1	63.6	0	0	0	0	112.3	M1 E3	M1-T130 WeakPolarHBondContact CB-OG1 2.87Å; M1-T130 PolarHBondContact N-OG1 2.99Å; E3-T130 PolarHBondContact OE1-N 2.75Å; E3-T130 PolarHBondContact OE1-OG1 3.46Å; E3-T130 PolarHBondContact OE2-N 3.22Å; E3-T130 PolarHBondContact OE2-OG1 3.07Å; E3-T130 VanDerWaalsContact OE2-OG1 3.05Å
131	G	91.8	Very high	96.4	Very high	29 Å²	29	33.3 Å²	33.3	30%	0.299	17%	0.172	S	C	.	.	S	Bend	trans	-161.8	78	179.3	0	0	0	0	0	111.4	E3 Q133	E3-G131 PolarHBondContact N-O 3.4Å; E3-G131 WeakPolarHBondContact OE2-CA 3.34Å; E3-G131 PolarHBondContact OE2-N 3.21Å; G131-Q133 PolarHBondContact O-N 2.95Å
132	L	94.8	Very high	96.2	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.073	16%	0.164	C	C	.	.			trans	-58.9	120.7	173.7	179.6	66.1	0	0	0	110.4	I5 C129 G134 F135 Y161 K164	I5-L132 HydrophobicContact CB-CD1 4.39Å; I5-L132 HydrophobicContact CD1-CD1 3.75Å; I5-L132 HydrophobicContact CD1-CD2 4.2Å; I5-L132 HydrophobicContact CG1-CD1 3.8Å; C129-L132 HydrophobicContact CB-CB 4.09Å; L132-G134 WeakPolarHBondContact CD1-O 3.37Å; L132-F135 HydrophobicContact CD2-CE1 4.27Å; L132-F135 HydrophobicContact CD2-CE2 4.34Å; L132-F135 HydrophobicContact CD2-CZ 3.79Å; L132-Y161 HydrophobicContact CD2-CD1 4.39Å; L132-K164 HydrophobicContact CD2-CG 4.43Å; L132-K164 WeakPolarHBondContact O-CD 3.33Å; L132-K164 VanDerWaalsContact O-CE 3.32Å; L132-K164 WeakPolarHBondContact O-CE 3.36Å; L132-K164 PolarHBondContact O-NZ 2.96Å
133	Q	93.4	Very high	95.9	Very high	35 Å²	35	31.9 Å²	31.9	16%	0.164	17%	0.172	C	C	.	.			trans	-82.2	-43.8	173.1	-69.3	-169.2	83	0	0	111.7	R2 E3 V4 G131 S165 L252	R2-Q133 HydrophobicContact CB-CG 4.49Å; R2-Q133 HydrophobicContact CG-CG 4.45Å; R2-Q133 PolarHBondContact O-NE2 2.89Å; E3-Q133 PolarHBondContact O-N 2.69Å; V4-Q133 HydrophobicContact CG2-CB 4.36Å; G131-Q133 PolarHBondContact O-N 2.95Å; Q133-S165 PolarHBondContact O-N 3.46Å; Q133-L252 HydrophobicContact CB-CD1 3.97Å
134	G	95.7	Very high	95.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-168.9	-170.5	0	0	0	0	0	114.3	I5 L132 S165	I5-G134 PolarHBondContact N-O 2.9Å; L132-G134 WeakPolarHBondContact CD1-O 3.37Å; G134-S165 CarbonylContact C-O 3.56Å; G134-S165 WeakPolarHBondContact CA-O 3.12Å
135	F	97.7	Very high	95.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.4	-177.7	-56.1	-82.5	0	0	0	110.3	I5 V122 L132 I137 L157 Y161 K164 S165 K166 L167	I5-F135 HydrophobicContact CB-CD1 3.86Å; I5-F135 HydrophobicContact CB-CE1 4.06Å; I5-F135 HydrophobicContact CD1-CE1 3.99Å; I5-F135 HydrophobicContact CG2-CD1 4.11Å; I5-F135 HydrophobicContact CG2-CE1 4.31Å; I5-F135 CarbonylContact O-C 3.52Å; I5-F135 VanDerWaalsContact O-CA 3.25Å; I5-F135 WeakPolarHBondContact O-CA 3.28Å; V122-F135 HydrophobicContact CG1-CE1 3.73Å; V122-F135 HydrophobicContact CG1-CZ 3.97Å; L132-F135 HydrophobicContact CD2-CE1 4.27Å; L132-F135 HydrophobicContact CD2-CE2 4.34Å; L132-F135 HydrophobicContact CD2-CZ 3.79Å; F135-I137 HydrophobicContact CB-CD1 3.8Å; F135-I137 HydrophobicContact CB-CG1 4.35Å; F135-L157 HydrophobicContact CD2-CD1 4.43Å; F135-L157 HydrophobicContact CD2-CD2 4.48Å; F135-L157 HydrophobicContact CE1-CD2 4.18Å; F135-L157 HydrophobicContact CE2-CD2 4.1Å; F135-L157 HydrophobicContact CG-CD1 4.35Å; F135-L157 HydrophobicContact CZ-CD2 3.93Å; F135-Y161 HydrophobicContact CE2-CD1 4.36Å; F135-Y161 HydrophobicContact CE2-CD2 4.22Å; F135-Y161 AromaticContact CE2-CG 3.85Å; F135-Y161 HydrophobicContact CE2-CG 3.85Å; F135-Y161 HydrophobicContact CZ-CD1 4.08Å; F135-Y161 AromaticContact CZ-CD2 3.94Å; F135-Y161 HydrophobicContact CZ-CD2 3.94Å; F135-Y161 HydrophobicContact CZ-CE1 4.48Å; F135-Y161 HydrophobicContact CZ-CE2 4.37Å; F135-Y161 AromaticContact CZ-CG 3.8Å; F135-Y161 HydrophobicContact CZ-CG 3.8Å; F135-K164 HydrophobicContact CD2-CB 4.38Å; F135-K164 HydrophobicContact CE2-CB 4.02Å; F135-S165 PolarHBondContact N-O 3.32Å; F135-K166 HydrophobicContact CD2-CG 4.14Å; F135-L167 PolarHBondContact O-N 2.98Å
136	L	97.8	Very high	95.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.7	164	-55.2	-177.3	0	0	0	107.8	V4 I5 S6 V7 F52 F138 L167 F169 T239 L252	V4-L136 HydrophobicContact CG1-CD1 4.08Å; V4-L136 HydrophobicContact CG1-CD2 4.28Å; V4-L136 HydrophobicContact CG1-CG 3.64Å; I5-L136 PolarHBondContact O-N 2.81Å; S6-L136 CarbonylContact C-O 3.57Å; S6-L136 VanDerWaalsContact CA-O 3.32Å; S6-L136 WeakPolarHBondContact CA-O 3.34Å; V7-L136 PolarHBondContact N-O 2.82Å; F52-L136 HydrophobicContact CE1-CD1 3.75Å; F52-L136 HydrophobicContact CZ-CD1 3.98Å; L136-F138 HydrophobicContact CB-CD2 4.44Å; L136-F138 HydrophobicContact CB-CE2 3.59Å; L136-F138 HydrophobicContact CB-CZ 4.13Å; L136-L167 CarbonylContact C-O 3.6Å; L136-L167 WeakPolarHBondContact CA-O 3.25Å; L136-L167 HydrophobicContact CD2-CB 3.95Å; L136-L167 HydrophobicContact CD2-CD1 4.14Å; L136-L167 HydrophobicContact CD2-CG 4.3Å; L136-F169 HydrophobicContact CB-CD2 4.44Å; L136-F169 HydrophobicContact CB-CE2 4.21Å; L136-F169 HydrophobicContact CD1-CE2 4.17Å; L136-F169 HydrophobicContact CD2-CE2 4.13Å; L136-F169 HydrophobicContact CG-CE2 4.37Å; L136-T239 HydrophobicContact CD1-CG2 3.69Å; L136-L252 HydrophobicContact CD2-CD2 4.05Å
137	I	98.6	Very high	95.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.5	-175.1	-51.6	-60.1	0	0	0	108.7	V7 I9 F135 T150 M154 L157 L167 E168 F169	V7-I137 HydrophobicContact CB-CD1 3.77Å; V7-I137 HydrophobicContact CG2-CD1 3.85Å; V7-I137 WeakPolarHBondContact O-CA 3.43Å; I9-I137 HydrophobicContact CD1-CG2 3.86Å; F135-I137 HydrophobicContact CB-CD1 3.8Å; F135-I137 HydrophobicContact CB-CG1 4.35Å; I137-T150 HydrophobicContact CG2-CG2 3.77Å; I137-M154 HydrophobicContact CG1-SD 3.98Å; I137-L157 HydrophobicContact CD1-CD1 4.02Å; I137-L167 PolarHBondContact N-O 2.86Å; I137-E168 HydrophobicContact CB-CG 4.18Å; I137-E168 CarbonylContact O-C 3.28Å; I137-E168 VanDerWaalsContact O-CA 3.32Å; I137-E168 WeakPolarHBondContact O-CA 3.4Å; I137-F169 PolarHBondContact O-N 3.24Å
138	F	98.7	Very high	95.8	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.009	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.7	-178.7	-61.2	-101.4	0	0	0	108.9	V7 H8 I9 G13 I16 L136 F169 V235	V7-F138 PolarHBondContact O-N 2.86Å; H8-F138 AromaticContact CE1-CD2 3.18Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.24Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.39Å; H8-F138 AromaticContact CE1-CG 3.57Å; H8-F138 AromaticContact ND1-CD2 3.35Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.31Å; H8-F138 AromaticContact ND1-CG 3.4Å; H8-F138 WeakPolarHBondContact ND1-CG 3.47Å; H8-F138 AromaticContact NE2-CD2 3.98Å; I9-F138 PolarHBondContact N-O 2.87Å; G13-F138 WeakPolarHBondContact CA-O 3.34Å; I16-F138 HydrophobicContact CG2-CD1 3.74Å; I16-F138 HydrophobicContact CG2-CE1 4.26Å; L136-F138 HydrophobicContact CB-CD2 4.44Å; L136-F138 HydrophobicContact CB-CE2 3.59Å; L136-F138 HydrophobicContact CB-CZ 4.13Å; F138-F169 WeakPolarHBondContact CA-O 3.48Å; F138-F169 HydrophobicContact CD1-CB 3.52Å; F138-F169 HydrophobicContact CD1-CD2 4.03Å; F138-F169 AromaticContact CD1-CG 3.94Å; F138-F169 HydrophobicContact CD1-CG 3.94Å; F138-F169 HydrophobicContact CE1-CB 3.75Å; F138-F169 HydrophobicContact CE1-CD1 4.36Å; F138-F169 AromaticContact CE1-CD2 3.49Å; F138-F169 HydrophobicContact CE1-CD2 3.49Å; F138-F169 VanDerWaalsContact CE1-CD2 3.49Å; F138-F169 HydrophobicContact CE1-CE2 4.14Å; F138-F169 AromaticContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE2-CD2 4.18Å; F138-F169 HydrophobicContact CG-CB 4.21Å; F138-F169 AromaticContact CZ-CD2 3.57Å; F138-F169 HydrophobicContact CZ-CD2 3.57Å; F138-F169 AromaticContact CZ-CE2 3.92Å; F138-F169 HydrophobicContact CZ-CE2 3.92Å; F138-F169 HydrophobicContact CZ-CG 4.19Å; F138-V235 HydrophobicContact CE1-CB 4.48Å; F138-V235 HydrophobicContact CE1-CG1 3.87Å; F138-V235 HydrophobicContact CE1-CG2 3.74Å; F138-V235 HydrophobicContact CZ-CG1 3.81Å; F138-V235 HydrophobicContact CZ-CG2 4.49Å
139	H	98.3	Very high	96	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	-178.1	-174.1	75.7	128.3	0	0	0	112.1	I9 F141 G146 T150 E168 F169 I171	I9-H139 HydrophobicContact CB-CB 4.32Å; H139-F141 AromaticContact CE1-CD2 3.57Å; H139-F141 AromaticContact CE1-CE2 3.34Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.47Å; H139-F141 AromaticContact NE2-CD2 3.9Å; H139-F141 AromaticContact NE2-CE2 3.43Å; H139-F141 WeakPolarHBondContact NE2-CE2 3.42Å; H139-G146 WeakPolarHBondContact CB-O 3.48Å; H139-G146 PolarHBondContact ND1-O 3.39Å; H139-T150 HydrophobicContact CB-CG2 4.3Å; H139-T150 WeakPolarHBondContact CB-OG1 3.41Å; H139-E168 IonicContact CE1-OE2 2.97Å; H139-E168 PolarHBondContact CE1-OE2 3.01Å; H139-E168 IonicContact NE2-OE2 2.83Å; H139-E168 PolarHBondContact NE2-OE2 2.8Å; H139-F169 PolarHBondContact N-O 2.95Å; H139-I171 PolarHBondContact O-N 2.96Å
140	S	96.7	Very high	96.2	Very high	14 Å²	14	11.4 Å²	11.4	10%	0.098	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.3	170.6	177.5	0	0	0	0	110.3	G142 G146 S147 I171	S140-G142 PolarHBondContact O-N 2.66Å; S140-G142 PolarHBondContact OG-N 3.45Å; S140-G146 CarbonylContact O-C 3.54Å; S140-G146 WeakPolarHBondContact O-CA 3.38Å; S140-S147 PolarHBondContact O-N 2.62Å; S140-I171 WeakPolarHBondContact CA-O 3.45Å; S140-I171 PolarHBondContact OG-O 2.9Å; S140-I171 VanDerWaalsContact OG-O 3.07Å
141	F	95.7	Very high	96.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.6	176.9	-81.4	-125.1	0	0	0	112.1	H139 S147 A170 I171 Y172 N186 S187 T190 T191 M203 F267	H139-F141 AromaticContact CE1-CD2 3.57Å; H139-F141 AromaticContact CE1-CE2 3.34Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.47Å; H139-F141 AromaticContact NE2-CD2 3.9Å; H139-F141 AromaticContact NE2-CE2 3.43Å; H139-F141 WeakPolarHBondContact NE2-CE2 3.42Å; F141-S147 WeakPolarHBondContact O-CB 3.43Å; F141-A170 HydrophobicContact CD2-CB 3.73Å; F141-A170 HydrophobicContact CE2-CB 3.36Å; F141-A170 HydrophobicContact CZ-CB 4.44Å; F141-I171 PolarHBondContact N-O 3.16Å; F141-I171 VanDerWaalsContact N-O 3.08Å; F141-Y172 HydrophobicContact CB-CD2 4.18Å; F141-Y172 AromaticContact CD1-CD2 3.82Å; F141-Y172 HydrophobicContact CD1-CD2 3.82Å; F141-Y172 AromaticContact CD1-CE2 3.69Å; F141-Y172 HydrophobicContact CD1-CE2 3.69Å; F141-Y172 HydrophobicContact CD2-CD2 4.44Å; F141-Y172 HydrophobicContact CE1-CD2 4.31Å; F141-Y172 HydrophobicContact CE1-CE2 4.14Å; F141-Y172 AromaticContact CG-CD2 3.9Å; F141-Y172 HydrophobicContact CG-CD2 3.9Å; F141-Y172 HydrophobicContact CG-CE2 4.21Å; F141-N186 CarbonylContact O-C 3.51Å; F141-N186 VanDerWaalsContact O-C 3.28Å; F141-N186 VanDerWaalsContact O-CB 3.32Å; F141-N186 WeakPolarHBondContact O-CB 3.43Å; F141-S187 VanDerWaalsContact C-OG 3.23Å; F141-S187 WeakPolarHBondContact CB-OG 3.26Å; F141-S187 WeakPolarHBondContact O-CA 3.46Å; F141-S187 PolarHBondContact O-N 2.75Å; F141-S187 PolarHBondContact O-OG 2.83Å; F141-T190 HydrophobicContact CD1-CG2 3.98Å; F141-T190 HydrophobicContact CD2-CG2 4.34Å; F141-T190 HydrophobicContact CE1-CG2 4.03Å; F141-T190 HydrophobicContact CE2-CG2 4.36Å; F141-T190 HydrophobicContact CG-CG2 4.14Å; F141-T190 HydrophobicContact CZ-CG2 4.22Å; F141-T191 VanDerWaalsContact CE1-OG1 3.26Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.48Å; F141-M203 HydrophobicContact CE2-CE 4.36Å; F141-M203 HydrophobicContact CZ-CE 4.23Å; F141-F267 HydrophobicContact CZ-CE1 4.45Å
142	G	92.5	Very high	96.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-22.7	-175.5	0	0	0	0	0	115.7	S140 N186	S140-G142 PolarHBondContact O-N 2.66Å; S140-G142 PolarHBondContact OG-N 3.45Å; G142-N186 PolarHBondContact O-ND2 2.87Å
143	G	92.5	Very high	96.9	Very high	16 Å²	16	4.3 Å²	4.3	17%	0.165	3%	0.029	C	C	.	.	S	Bend	trans	-92.2	150.7	-173.5	0	0	0	0	0	113	G146 S147	G143-G146 PolarHBondContact O-N 3.43Å; G143-S147 WeakPolarHBondContact O-CB 2.94Å; G143-S147 PolarHBondContact O-N 3Å; G143-S147 PolarHBondContact O-OG 3.47Å
144	G	95.2	Very high	97.2	Very high	3 Å²	3	2.7 Å²	2.7	3%	0.031	2%	0.021	C	C	.	.	H	α-helix	trans	-61.7	-50.4	-176.4	0	0	0	0	0	113.9	S147 G148	G144-S147 PolarHBondContact O-OG 3.3Å; G144-G148 PolarHBondContact O-N 2.88Å
145	T	97.6	Very high	97.3	Very high	12 Å²	12	5.3 Å²	5.3	7%	0.074	3%	0.033	C	C	.	.	I	π-helix	trans	-66.6	-49.2	173.1	-47.3	0	0	0	0	111.3	I9 D69 L70 S147 F149 T150	I9-T145 HydrophobicContact CG2-CG2 3.94Å; D69-T145 PolarHBondContact OD1-OG1 3.19Å; L70-T145 HydrophobicContact CD1-CG2 4Å; L70-T145 HydrophobicContact CG-CG2 3.82Å; T145-S147 PolarHBondContact O-N 3.48Å; T145-F149 HydrophobicContact CG2-CB 3.98Å; T145-F149 HydrophobicContact CG2-CG 4.49Å; T145-F149 VanDerWaalsContact O-CB 3.25Å; T145-F149 WeakPolarHBondContact O-CB 3.22Å; T145-F149 PolarHBondContact O-N 2.93Å; T145-F149 VanDerWaalsContact O-N 3.12Å; T145-T150 PolarHBondContact O-N 3.04Å
146	G	96.9	Very high	97.3	Very high	4 Å²	4	10.8 Å²	10.8	4%	0.041	5%	0.054	C	C	.	.	I	π-helix	trans	-62.5	-26.9	-176.4	0	0	0	0	0	114.1	H139 S140 G143 T150	H139-G146 WeakPolarHBondContact CB-O 3.48Å; H139-G146 PolarHBondContact ND1-O 3.39Å; S140-G146 CarbonylContact O-C 3.54Å; S140-G146 WeakPolarHBondContact O-CA 3.38Å; G143-G146 PolarHBondContact O-N 3.43Å; G146-T150 WeakPolarHBondContact O-CB 3.43Å; G146-T150 PolarHBondContact O-OG1 3.24Å
147	S	97.5	Very high	97.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-93.1	-70.6	178.4	65.3	0	0	0	0	110.1	S140 F141 G143 G144 T145 T150 S151 T190	S140-S147 PolarHBondContact O-N 2.62Å; F141-S147 WeakPolarHBondContact O-CB 3.43Å; G143-S147 WeakPolarHBondContact O-CB 2.94Å; G143-S147 PolarHBondContact O-N 3Å; G143-S147 PolarHBondContact O-OG 3.47Å; G144-S147 PolarHBondContact O-OG 3.3Å; T145-S147 PolarHBondContact O-N 3.48Å; S147-T150 PolarHBondContact O-N 3.47Å; S147-S151 PolarHBondContact O-N 3.48Å; S147-S151 PolarHBondContact O-OG 2.93Å; S147-T190 WeakPolarHBondContact CA-OG1 3.42Å; S147-T190 WeakPolarHBondContact CB-OG1 3.45Å; S147-T190 PolarHBondContact O-OG1 2.89Å
148	G	97.9	Very high	97.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-66.3	-46.4	-172.4	0	0	0	0	0	114.8	Y103 G106 H107 G144 T150 S151 L152	Y103-G148 VanDerWaalsContact CE2-CA 3.49Å; Y103-G148 WeakPolarHBondContact O-CA 3.16Å; G106-G148 VanDerWaalsContact C-C 3.47Å; G106-G148 CarbonylContact O-C 3.52Å; H107-G148 WeakPolarHBondContact CB-O 3.35Å; H107-G148 PolarHBondContact CD2-O 3.37Å; G144-G148 PolarHBondContact O-N 2.88Å; G148-T150 VanDerWaalsContact C-N 3.33Å; G148-S151 PolarHBondContact O-N 3.09Å; G148-L152 PolarHBondContact O-N 3.03Å; G148-L152 VanDerWaalsContact O-N 3.1Å
149	F	98.5	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-69.9	-35.2	179.4	-178.2	-99.8	0	0	0	111.4	I9 V68 L70 G106 G111 I114 I115 V118 T145 L152 L153	I9-F149 HydrophobicContact CG2-CD1 3.76Å; V68-F149 HydrophobicContact CB-CE1 4.2Å; V68-F149 HydrophobicContact CG1-CD1 4.18Å; V68-F149 HydrophobicContact CG1-CE1 3.62Å; V68-F149 HydrophobicContact CG1-CZ 4.12Å; V68-F149 HydrophobicContact CG2-CE1 4.48Å; L70-F149 HydrophobicContact CD1-CB 4.42Å; G106-F149 WeakPolarHBondContact O-CA 3.35Å; G106-F149 WeakPolarHBondContact O-CB 3.42Å; G106-F149 PolarHBondContact O-N 3.36Å; G111-F149 WeakPolarHBondContact O-CE2 3.33Å; I114-F149 HydrophobicContact CD1-CD2 4.2Å; I114-F149 HydrophobicContact CD1-CE1 4.37Å; I114-F149 HydrophobicContact CD1-CE2 3.76Å; I114-F149 HydrophobicContact CD1-CZ 3.87Å; I114-F149 HydrophobicContact CG1-CD2 4.19Å; I114-F149 HydrophobicContact CG1-CE2 3.63Å; I114-F149 HydrophobicContact CG1-CZ 4.12Å; I115-F149 HydrophobicContact CB-CE2 4.07Å; I115-F149 HydrophobicContact CD1-CE2 3.93Å; I115-F149 HydrophobicContact CD1-CZ 3.89Å; V118-F149 HydrophobicContact CB-CZ 4.13Å; V118-F149 HydrophobicContact CG1-CZ 4.32Å; V118-F149 HydrophobicContact CG2-CE1 4.26Å; V118-F149 HydrophobicContact CG2-CZ 3.71Å; T145-F149 HydrophobicContact CG2-CB 3.98Å; T145-F149 HydrophobicContact CG2-CG 4.49Å; T145-F149 VanDerWaalsContact O-CB 3.25Å; T145-F149 WeakPolarHBondContact O-CB 3.22Å; T145-F149 PolarHBondContact O-N 2.93Å; T145-F149 VanDerWaalsContact O-N 3.12Å; F149-L152 HydrophobicContact CD2-CD2 4.46Å; F149-L152 PolarHBondContact O-N 3.34Å; F149-L153 HydrophobicContact CE1-CB 4.46Å; F149-L153 WeakPolarHBondContact O-CB 3.21Å; F149-L153 PolarHBondContact O-N 2.86Å
150	T	98.6	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-45.8	173.5	-55.4	0	0	0	0	111.4	I9 I137 H139 T145 G146 S147 G148 L152 L153 M154	I9-T150 HydrophobicContact CD1-CG2 4.02Å; I9-T150 WeakPolarHBondContact CD1-OG1 3.46Å; I9-T150 WeakPolarHBondContact CG2-OG1 3.25Å; I137-T150 HydrophobicContact CG2-CG2 3.77Å; H139-T150 HydrophobicContact CB-CG2 4.3Å; H139-T150 WeakPolarHBondContact CB-OG1 3.41Å; T145-T150 PolarHBondContact O-N 3.04Å; G146-T150 WeakPolarHBondContact O-CB 3.43Å; G146-T150 PolarHBondContact O-OG1 3.24Å; S147-T150 PolarHBondContact O-N 3.47Å; G148-T150 VanDerWaalsContact C-N 3.33Å; T150-L152 VanDerWaalsContact C-N 3.33Å; T150-L152 PolarHBondContact O-N 2.95Å; T150-L153 PolarHBondContact O-N 3.4Å; T150-L153 VanDerWaalsContact O-N 3.16Å; T150-M154 HydrophobicContact CG2-CG 4.07Å; T150-M154 WeakPolarHBondContact O-CB 3.23Å; T150-M154 VanDerWaalsContact O-CG 3.22Å; T150-M154 WeakPolarHBondContact O-CG 3.43Å; T150-M154 PolarHBondContact O-N 2.96Å
151	S	98.4	Very high	97.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.6	-48.8	174.9	-70.1	0	0	0	0	111.8	Y103 S147 G148 L153 M154 E155	Y103-S151 WeakPolarHBondContact CE2-OG 3.5Å; Y103-S151 WeakPolarHBondContact OH-CB 3.33Å; Y103-S151 PolarHBondContact OH-OG 2.98Å; S147-S151 PolarHBondContact O-N 3.48Å; S147-S151 PolarHBondContact O-OG 2.93Å; G148-S151 PolarHBondContact O-N 3.09Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 2.81Å; S151-M154 PolarHBondContact O-N 3.07Å; S151-E155 WeakPolarHBondContact O-CG 3.4Å; S151-E155 PolarHBondContact O-N 2.81Å; S151-E155 VanDerWaalsContact O-N 3.09Å
152	L	98.4	Very high	97.2	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-42.1	177.8	178.3	64.8	0	0	0	111.7	H107 K112 I115 G148 F149 T150 R156	H107-L152 PolarHBondContact CD2-N 3.34Å; K112-L152 HydrophobicContact CG-CD2 4.04Å; I115-L152 HydrophobicContact CB-CD2 3.91Å; I115-L152 HydrophobicContact CB-CG 4.48Å; I115-L152 HydrophobicContact CD1-CG 4.32Å; I115-L152 HydrophobicContact CG1-CD2 4.11Å; I115-L152 HydrophobicContact CG1-CG 4.12Å; I115-L152 HydrophobicContact CG2-CD2 4.2Å; G148-L152 PolarHBondContact O-N 3.03Å; G148-L152 VanDerWaalsContact O-N 3.1Å; F149-L152 HydrophobicContact CD2-CD2 4.46Å; F149-L152 PolarHBondContact O-N 3.34Å; T150-L152 VanDerWaalsContact C-N 3.33Å; T150-L152 PolarHBondContact O-N 2.95Å; L152-R156 WeakPolarHBondContact O-CG 3.2Å; L152-R156 PolarHBondContact O-N 3.39Å
153	L	98.6	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-42.8	177.1	179.3	67.3	0	0	0	111.6	V7 I9 I115 V118 M119 F149 T150 S151 E155 R156 L157	V7-L153 HydrophobicContact CG1-CD2 3.84Å; I9-L153 HydrophobicContact CD1-CD2 3.54Å; I115-L153 HydrophobicContact CD1-CB 4.18Å; I115-L153 HydrophobicContact CD1-CD1 3.81Å; V118-L153 HydrophobicContact CG1-CD1 3.94Å; M119-L153 HydrophobicContact SD-CD1 3.71Å; F149-L153 HydrophobicContact CE1-CB 4.46Å; F149-L153 WeakPolarHBondContact O-CB 3.21Å; F149-L153 PolarHBondContact O-N 2.86Å; T150-L153 PolarHBondContact O-N 3.4Å; T150-L153 VanDerWaalsContact O-N 3.16Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 2.81Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.15Å; L153-R156 PolarHBondContact O-N 3.34Å; L153-R156 VanDerWaalsContact O-N 3.15Å; L153-L157 HydrophobicContact CD1-CD1 4.41Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CD2-CD1 4.3Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.11Å; L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 WeakPolarHBondContact O-CG 2.94Å; L153-L157 PolarHBondContact O-N 3.21Å
154	M	98.4	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-39.7	-179.1	-74.2	-69	-79.8	0	0	111.9	I137 T150 S151 L157 S158 K166 E168 T194 H197	I137-M154 HydrophobicContact CG1-SD 3.98Å; T150-M154 HydrophobicContact CG2-CG 4.07Å; T150-M154 WeakPolarHBondContact O-CB 3.23Å; T150-M154 VanDerWaalsContact O-CG 3.22Å; T150-M154 WeakPolarHBondContact O-CG 3.43Å; T150-M154 PolarHBondContact O-N 2.96Å; S151-M154 PolarHBondContact O-N 3.07Å; M154-L157 PolarHBondContact O-N 3.08Å; M154-L157 HydrophobicContact SD-CD1 4.47Å; M154-S158 WeakPolarHBondContact O-CB 3.49Å; M154-S158 PolarHBondContact O-N 3.43Å; M154-S158 PolarHBondContact O-OG 3.31Å; M154-S158 VanDerWaalsContact O-OG 3.04Å; M154-K166 HydrophobicContact CE-CB 3.95Å; M154-K166 HydrophobicContact CE-CD 4.2Å; M154-K166 HydrophobicContact SD-CB 4.33Å; M154-K166 HydrophobicContact SD-CD 4.16Å; M154-K166 HydrophobicContact SD-CG 4.47Å; M154-E168 HydrophobicContact CE-CG 4.33Å; M154-T194 HydrophobicContact CB-CG2 4.39Å; M154-T194 HydrophobicContact CG-CG2 4.24Å; M154-H197 HydrophobicContact CB-CB 3.99Å; M154-H197 HydrophobicContact CE-CB 4.15Å; M154-H197 VanDerWaalsContact CE-O 3.26Å; M154-H197 WeakPolarHBondContact CE-O 3.18Å
155	E	98	Very high	97.3	Very high	55 Å²	55	38.7 Å²	38.7	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-57.4	-49.5	170.5	-70.5	168	-152.1	0	0	111.2	H107 S151 L153 S158 V159 T193 H197	H107-E155 IonicContact CD2-OE1 3.89Å; H107-E155 IonicContact CE1-OE1 3.54Å; H107-E155 IonicContact NE2-OE1 2.77Å; H107-E155 PolarHBondContact NE2-OE1 3.02Å; H107-E155 IonicContact NE2-OE2 3.89Å; S151-E155 WeakPolarHBondContact O-CG 3.4Å; S151-E155 PolarHBondContact O-N 2.81Å; S151-E155 VanDerWaalsContact O-N 3.09Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.15Å; E155-S158 PolarHBondContact O-N 3.45Å; E155-V159 WeakPolarHBondContact O-CG2 3.39Å; E155-V159 PolarHBondContact O-N 3.23Å; E155-V159 VanDerWaalsContact O-N 3.11Å; E155-T193 HydrophobicContact CG-CG2 4.29Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.46Å; E155-H197 WeakPolarHBondContact CG-NE2 3.49Å
156	R	98.2	Very high	97.3	Very high	116 Å²	116	38.5 Å²	38.5	44%	0.438	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-40.4	-179.6	-64	-60.3	-178.6	172.2	0.5	112.8	I115 M119 L152 L153 S158 V159 D160	I115-R156 HydrophobicContact CD1-CG 4.2Å; I115-R156 HydrophobicContact CG1-CG 3.92Å; M119-R156 HydrophobicContact CE-CB 3.96Å; M119-R156 HydrophobicContact CG-CB 4.12Å; M119-R156 HydrophobicContact SD-CB 3.72Å; L152-R156 WeakPolarHBondContact O-CG 3.2Å; L152-R156 PolarHBondContact O-N 3.39Å; L153-R156 PolarHBondContact O-N 3.34Å; L153-R156 VanDerWaalsContact O-N 3.15Å; R156-S158 VanDerWaalsContact C-N 3.3Å; R156-S158 PolarHBondContact O-N 3.38Å; R156-V159 PolarHBondContact O-N 2.94Å; R156-D160 PolarHBondContact O-N 3.35Å
157	L	98.4	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-36.7	174.9	-71	178.2	0	0	0	111.5	M119 V122 F135 I137 L153 M154 V159 Y161 K166	M119-L157 HydrophobicContact CE-CD2 4.35Å; M119-L157 HydrophobicContact SD-CD2 4.23Å; V122-L157 HydrophobicContact CG1-CD2 3.85Å; V122-L157 HydrophobicContact CG2-CD2 4.48Å; F135-L157 HydrophobicContact CD2-CD1 4.43Å; F135-L157 HydrophobicContact CD2-CD2 4.48Å; F135-L157 HydrophobicContact CE1-CD2 4.18Å; F135-L157 HydrophobicContact CE2-CD2 4.1Å; F135-L157 HydrophobicContact CG-CD1 4.35Å; F135-L157 HydrophobicContact CZ-CD2 3.93Å; I137-L157 HydrophobicContact CD1-CD1 4.02Å; L153-L157 HydrophobicContact CD1-CD1 4.41Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CD2-CD1 4.3Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.11Å; L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 WeakPolarHBondContact O-CG 2.94Å; L153-L157 PolarHBondContact O-N 3.21Å; M154-L157 PolarHBondContact O-N 3.08Å; M154-L157 HydrophobicContact SD-CD1 4.47Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-Y161 HydrophobicContact CD2-CD2 3.89Å; L157-Y161 HydrophobicContact CD2-CE2 4.33Å; L157-Y161 CarbonylContact O-C 3.53Å; L157-Y161 VanDerWaalsContact O-C 3.25Å; L157-Y161 WeakPolarHBondContact O-CA 3.26Å; L157-Y161 VanDerWaalsContact O-CB 3.26Å; L157-Y161 WeakPolarHBondContact O-CB 3.43Å; L157-Y161 PolarHBondContact O-N 3.14Å; L157-K166 HydrophobicContact CB-CD 4.07Å
158	S	97.5	Very high	97.3	Very high	27 Å²	27	38.3 Å²	38.3	19%	0.189	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-34.4	176.2	-67.5	0	0	0	0	112.6	M154 E155 R156 G162 K166 H197	M154-S158 WeakPolarHBondContact O-CB 3.49Å; M154-S158 PolarHBondContact O-N 3.43Å; M154-S158 PolarHBondContact O-OG 3.31Å; M154-S158 VanDerWaalsContact O-OG 3.04Å; E155-S158 PolarHBondContact O-N 3.45Å; R156-S158 VanDerWaalsContact C-N 3.3Å; R156-S158 PolarHBondContact O-N 3.38Å; S158-G162 WeakPolarHBondContact O-CA 3.2Å; S158-G162 PolarHBondContact O-N 2.62Å; S158-G162 VanDerWaalsContact O-N 3.14Å; S158-K166 WeakPolarHBondContact OG-CE 3.3Å; S158-H197 WeakPolarHBondContact OG-CB 3.35Å; S158-H197 PolarHBondContact OG-ND1 3.05Å
159	V	97.8	Very high	97.3	Very high	111 Å²	111	38.8 Å²	38.8	67%	0.673	20%	0.199	S	C	*	.	H	α-helix	trans	-68.2	-52.2	174.4	175.2	0	0	0	0	111.5	E155 R156 L157	E155-V159 WeakPolarHBondContact O-CG2 3.39Å; E155-V159 PolarHBondContact O-N 3.23Å; E155-V159 VanDerWaalsContact O-N 3.11Å; R156-V159 PolarHBondContact O-N 2.94Å; L157-V159 VanDerWaalsContact C-N 3.34Å
160	D	97.9	Very high	97.2	Very high	102 Å²	102	38.8 Å²	38.8	55%	0.545	20%	0.199	S	C	.	.	H	α-helix	trans	-85.1	-27.5	-171.7	-70.3	-7.6	0	0	0	113	M119 R156	M119-D160 HydrophobicContact CE-CB 4.12Å; M119-D160 WeakPolarHBondContact CE-OD2 3.19Å; R156-D160 PolarHBondContact O-N 3.35Å
161	Y	97.4	Very high	97	Very high	38 Å²	38	39 Å²	39	15%	0.149	20%	0.2	C	C	.	.	H	α-helix	trans	-131.8	33.7	-172.9	-56.5	-83.9	0	0	0	112.9	M119 V122 R123 L132 F135 L157 K163 K164	M119-Y161 HydrophobicContact CE-CE2 4.18Å; V122-Y161 HydrophobicContact CG1-CD2 4.36Å; V122-Y161 HydrophobicContact CG1-CE2 3.62Å; R123-Y161 VanDerWaalsContact CA-OH 3.25Å; R123-Y161 WeakPolarHBondContact CA-OH 3.46Å; L132-Y161 HydrophobicContact CD2-CD1 4.39Å; F135-Y161 HydrophobicContact CE2-CD1 4.36Å; F135-Y161 HydrophobicContact CE2-CD2 4.22Å; F135-Y161 AromaticContact CE2-CG 3.85Å; F135-Y161 HydrophobicContact CE2-CG 3.85Å; F135-Y161 HydrophobicContact CZ-CD1 4.08Å; F135-Y161 AromaticContact CZ-CD2 3.94Å; F135-Y161 HydrophobicContact CZ-CD2 3.94Å; F135-Y161 HydrophobicContact CZ-CE1 4.48Å; F135-Y161 HydrophobicContact CZ-CE2 4.37Å; F135-Y161 AromaticContact CZ-CG 3.8Å; F135-Y161 HydrophobicContact CZ-CG 3.8Å; L157-Y161 HydrophobicContact CD2-CD2 3.89Å; L157-Y161 HydrophobicContact CD2-CE2 4.33Å; L157-Y161 CarbonylContact O-C 3.53Å; L157-Y161 VanDerWaalsContact O-C 3.25Å; L157-Y161 WeakPolarHBondContact O-CA 3.26Å; L157-Y161 VanDerWaalsContact O-CB 3.26Å; L157-Y161 WeakPolarHBondContact O-CB 3.43Å; L157-Y161 PolarHBondContact O-N 3.14Å; Y161-K163 PolarHBondContact O-N 3.06Å; Y161-K164 HydrophobicContact CD1-CG 4.31Å; Y161-K164 WeakPolarHBondContact O-CB 3.39Å; Y161-K164 PolarHBondContact O-N 3.05Å
162	G	93.7	Very high	96.8	Very high	52 Å²	52	39.4 Å²	39.4	54%	0.536	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.2	-174.3	0	0	0	0	0	116.6	S158	S158-G162 WeakPolarHBondContact O-CA 3.2Å; S158-G162 PolarHBondContact O-N 2.62Å; S158-G162 VanDerWaalsContact O-N 3.14Å
163	K	93.2	Very high	96.5	Very high	211 Å²	211	39.8 Å²	39.8	92%	0.917	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-0.6	175.7	-61.6	-175.4	-179.3	179.9	0	114.6	Y161	Y161-K163 PolarHBondContact O-N 3.06Å
164	K	95	Very high	95.9	Very high	71 Å²	71	40 Å²	40	31%	0.309	21%	0.206	S	C	.	.	S	Bend	trans	-100.9	136.8	-176.4	-58.5	-56.7	-178	-177	0	109.7	L132 F135 Y161 K166	L132-K164 HydrophobicContact CD2-CG 4.43Å; L132-K164 WeakPolarHBondContact O-CD 3.33Å; L132-K164 VanDerWaalsContact O-CE 3.32Å; L132-K164 WeakPolarHBondContact O-CE 3.36Å; L132-K164 PolarHBondContact O-NZ 2.96Å; F135-K164 HydrophobicContact CD2-CB 4.38Å; F135-K164 HydrophobicContact CE2-CB 4.02Å; Y161-K164 HydrophobicContact CD1-CG 4.31Å; Y161-K164 WeakPolarHBondContact O-CB 3.39Å; Y161-K164 PolarHBondContact O-N 3.05Å; K164-K166 PolarHBondContact O-NZ 3.33Å
165	S	95.5	Very high	95	Very high	10 Å²	10	42 Å²	42	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.6	-179.9	-54.6	0	0	0	0	110.8	Q133 G134 F135 D199	Q133-S165 PolarHBondContact O-N 3.46Å; G134-S165 CarbonylContact C-O 3.56Å; G134-S165 WeakPolarHBondContact CA-O 3.12Å; F135-S165 PolarHBondContact N-O 3.32Å; S165-D199 WeakPolarHBondContact CA-OD2 3.33Å
166	K	97.1	Very high	94.2	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	102.9	175.1	-69.2	163.8	-69.8	-65.6	0	107.4	F135 M154 L157 S158 K164 H197 D199	F135-K166 HydrophobicContact CD2-CG 4.14Å; M154-K166 HydrophobicContact CE-CB 3.95Å; M154-K166 HydrophobicContact CE-CD 4.2Å; M154-K166 HydrophobicContact SD-CB 4.33Å; M154-K166 HydrophobicContact SD-CD 4.16Å; M154-K166 HydrophobicContact SD-CG 4.47Å; L157-K166 HydrophobicContact CB-CD 4.07Å; S158-K166 WeakPolarHBondContact OG-CE 3.3Å; K164-K166 PolarHBondContact O-NZ 3.33Å; K166-H197 WeakPolarHBondContact CD-O 3.4Å; K166-H197 WeakPolarHBondContact CE-O 3.43Å; K166-D199 PolarHBondContact N-OD2 3.01Å; K166-D199 PolarHBondContact O-N 2.84Å
167	L	96.6	Very high	93.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.2	176.5	-48.2	-174.4	0	0	0	109.4	F135 L136 I137 D199 C200 F202 L252 F255	F135-L167 PolarHBondContact O-N 2.98Å; L136-L167 CarbonylContact C-O 3.6Å; L136-L167 WeakPolarHBondContact CA-O 3.25Å; L136-L167 HydrophobicContact CD2-CB 3.95Å; L136-L167 HydrophobicContact CD2-CD1 4.14Å; L136-L167 HydrophobicContact CD2-CG 4.3Å; I137-L167 PolarHBondContact N-O 2.86Å; L167-D199 HydrophobicContact CD2-CB 4.24Å; L167-C200 CarbonylContact C-O 3.55Å; L167-C200 VanDerWaalsContact CA-O 3.29Å; L167-C200 WeakPolarHBondContact CA-O 3.24Å; L167-C200 HydrophobicContact CD2-CB 3.66Å; L167-F202 HydrophobicContact CB-CE2 4.18Å; L167-F202 HydrophobicContact CD1-CE2 4.05Å; L167-F202 HydrophobicContact CD1-CZ 4.42Å; L167-L252 HydrophobicContact CD1-CB 4.36Å; L167-L252 HydrophobicContact CD1-CD2 3.57Å; L167-L252 HydrophobicContact CD1-CG 4.48Å; L167-F255 HydrophobicContact CD1-CD2 4.17Å
168	E	97.8	Very high	92.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.4	-178.9	-60.6	177.6	-77.2	0	0	111.1	I137 H139 M154 S198 C200 A201 F202	I137-E168 HydrophobicContact CB-CG 4.18Å; I137-E168 CarbonylContact O-C 3.28Å; I137-E168 VanDerWaalsContact O-CA 3.32Å; I137-E168 WeakPolarHBondContact O-CA 3.4Å; H139-E168 IonicContact CE1-OE2 2.97Å; H139-E168 PolarHBondContact CE1-OE2 3.01Å; H139-E168 IonicContact NE2-OE2 2.83Å; H139-E168 PolarHBondContact NE2-OE2 2.8Å; M154-E168 HydrophobicContact CE-CG 4.33Å; E168-S198 WeakPolarHBondContact OE1-CB 3.19Å; E168-S198 PolarHBondContact OE1-OG 3.1Å; E168-C200 PolarHBondContact N-O 2.63Å; E168-A201 HydrophobicContact CB-CB 4.01Å; E168-F202 WeakPolarHBondContact O-CB 3.43Å; E168-F202 WeakPolarHBondContact O-CD2 3.5Å; E168-F202 PolarHBondContact O-N 3.07Å
169	F	97.7	Very high	91.4	Very high	9 Å²	9	49.5 Å²	49.5	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	100.8	165.5	-70.8	-87.8	0	0	0	106.9	L136 I137 F138 H139 F202 V235 I238	L136-F169 HydrophobicContact CB-CD2 4.44Å; L136-F169 HydrophobicContact CB-CE2 4.21Å; L136-F169 HydrophobicContact CD1-CE2 4.17Å; L136-F169 HydrophobicContact CD2-CE2 4.13Å; L136-F169 HydrophobicContact CG-CE2 4.37Å; I137-F169 PolarHBondContact O-N 3.24Å; F138-F169 WeakPolarHBondContact CA-O 3.48Å; F138-F169 HydrophobicContact CD1-CB 3.52Å; F138-F169 HydrophobicContact CD1-CD2 4.03Å; F138-F169 AromaticContact CD1-CG 3.94Å; F138-F169 HydrophobicContact CD1-CG 3.94Å; F138-F169 HydrophobicContact CE1-CB 3.75Å; F138-F169 HydrophobicContact CE1-CD1 4.36Å; F138-F169 AromaticContact CE1-CD2 3.49Å; F138-F169 HydrophobicContact CE1-CD2 3.49Å; F138-F169 VanDerWaalsContact CE1-CD2 3.49Å; F138-F169 HydrophobicContact CE1-CE2 4.14Å; F138-F169 AromaticContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE2-CD2 4.18Å; F138-F169 HydrophobicContact CG-CB 4.21Å; F138-F169 AromaticContact CZ-CD2 3.57Å; F138-F169 HydrophobicContact CZ-CD2 3.57Å; F138-F169 AromaticContact CZ-CE2 3.92Å; F138-F169 HydrophobicContact CZ-CE2 3.92Å; F138-F169 HydrophobicContact CZ-CG 4.19Å; H139-F169 PolarHBondContact N-O 2.95Å; F169-F202 HydrophobicContact CD1-CB 4.17Å; F169-F202 HydrophobicContact CD1-CD2 4.11Å; F169-F202 HydrophobicContact CE1-CB 4.42Å; F169-F202 AromaticContact CE1-CD2 3.77Å; F169-F202 HydrophobicContact CE1-CD2 3.77Å; F169-F202 HydrophobicContact CE1-CE2 4.5Å; F169-F202 HydrophobicContact CE1-CG 4.4Å; F169-F202 HydrophobicContact CE2-CD2 4.29Å; F169-F202 AromaticContact CZ-CD2 3.85Å; F169-F202 HydrophobicContact CZ-CD2 3.85Å; F169-F202 HydrophobicContact CZ-CE2 4.21Å; F169-V235 HydrophobicContact CD1-CG2 3.61Å; F169-V235 HydrophobicContact CE1-CB 4.22Å; F169-V235 HydrophobicContact CE1-CG1 4.44Å; F169-V235 HydrophobicContact CE1-CG2 3.55Å; F169-V235 HydrophobicContact CG-CG2 4.19Å; F169-V235 HydrophobicContact CZ-CB 4.45Å; F169-V235 HydrophobicContact CZ-CG1 4.21Å; F169-V235 HydrophobicContact CZ-CG2 4.13Å; F169-I238 HydrophobicContact CE1-CD1 3.67Å; F169-I238 HydrophobicContact CZ-CB 4.33Å; F169-I238 HydrophobicContact CZ-CD1 4.06Å; F169-I238 HydrophobicContact CZ-CG2 4.22Å
170	A	96.3	Very high	90.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.4	-162.8	0	0	0	0	0	111.8	F141 Y172 F202 M203 V204	F141-A170 HydrophobicContact CD2-CB 3.73Å; F141-A170 HydrophobicContact CE2-CB 3.36Å; F141-A170 HydrophobicContact CZ-CB 4.44Å; A170-Y172 PolarHBondContact O-N 3.49Å; A170-F202 PolarHBondContact N-O 3.45Å; A170-F202 VanDerWaalsContact N-O 3.1Å; A170-M203 HydrophobicContact CB-SD 3.95Å; A170-V204 PolarHBondContact O-N 3.04Å
171	I	95.8	Very high	90.4	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.9	164	-53.5	-55.8	0	0	0	108.6	A12 I16 H139 S140 F141 V204 I231	A12-I171 HydrophobicContact CB-CG1 4.27Å; I16-I171 HydrophobicContact CD1-CD1 3.69Å; I16-I171 HydrophobicContact CD1-CG1 3.72Å; H139-I171 PolarHBondContact O-N 2.96Å; S140-I171 WeakPolarHBondContact CA-O 3.45Å; S140-I171 PolarHBondContact OG-O 2.9Å; S140-I171 VanDerWaalsContact OG-O 3.07Å; F141-I171 PolarHBondContact N-O 3.16Å; F141-I171 VanDerWaalsContact N-O 3.08Å; I171-V204 WeakPolarHBondContact CA-O 3.49Å; I171-V204 HydrophobicContact CD1-CG2 3.35Å; I171-I231 HydrophobicContact CD1-CD1 3.58Å
172	Y	94.5	Very high	90.3	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	152.2	179.1	-159	-108.4	0	0	0	112.2	F141 A170 A174 M203 V204 A387 W388 L391	F141-Y172 HydrophobicContact CB-CD2 4.18Å; F141-Y172 AromaticContact CD1-CD2 3.82Å; F141-Y172 HydrophobicContact CD1-CD2 3.82Å; F141-Y172 AromaticContact CD1-CE2 3.69Å; F141-Y172 HydrophobicContact CD1-CE2 3.69Å; F141-Y172 HydrophobicContact CD2-CD2 4.44Å; F141-Y172 HydrophobicContact CE1-CD2 4.31Å; F141-Y172 HydrophobicContact CE1-CE2 4.14Å; F141-Y172 AromaticContact CG-CD2 3.9Å; F141-Y172 HydrophobicContact CG-CD2 3.9Å; F141-Y172 HydrophobicContact CG-CE2 4.21Å; A170-Y172 PolarHBondContact O-N 3.49Å; Y172-A174 PolarHBondContact O-N 3.46Å; Y172-M203 HydrophobicContact CD1-CE 4.42Å; Y172-M203 HydrophobicContact CD2-CE 3.06Å; Y172-M203 HydrophobicContact CE2-CE 3.81Å; Y172-M203 HydrophobicContact CG-CE 3.43Å; Y172-M203 VanDerWaalsContact CG-CE 3.43Å; Y172-V204 PolarHBondContact N-O 3.19Å; Y172-A387 HydrophobicContact CD1-CB 4.45Å; Y172-A387 HydrophobicContact CE1-CB 4.01Å; Y172-W388 HydrophobicContact CD2-CZ3 4.33Å; Y172-W388 HydrophobicContact CE1-CE3 4.21Å; Y172-W388 AromaticContact CE1-CZ3 3.96Å; Y172-W388 HydrophobicContact CE1-CZ3 3.96Å; Y172-W388 HydrophobicContact CE2-CE3 4.23Å; Y172-W388 HydrophobicContact CE2-CH2 4.28Å; Y172-W388 AromaticContact CE2-CZ3 3.42Å; Y172-W388 HydrophobicContact CE2-CZ3 3.42Å; Y172-W388 VanDerWaalsContact CE2-CZ3 3.42Å; Y172-W388 AromaticContact CZ-CE3 3.57Å; Y172-W388 AromaticContact CZ-CZ3 3.2Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.49Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.27Å
173	P	90.8	Very high	90.4	Very high	12 Å²	12	41.2 Å²	41.2	8%	0.078	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-56.9	134.7	177.4	-28.3	37.1	0	0	0	113	E183 S187 L391	P173-E183 HydrophobicContact CB-CG 3.93Å; P173-E183 HydrophobicContact CG-CG 3.71Å; P173-S187 WeakPolarHBondContact CG-OG 3.5Å; P173-L391 HydrophobicContact CG-CD1 4.26Å
174	A	85.8	Confident	90.5	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-94.1	157.9	173.9	0	0	0	0	0	111.6	Y172 Q176 V177 D205 E207 K394	Y172-A174 PolarHBondContact O-N 3.46Å; A174-Q176 PolarHBondContact O-N 3.39Å; A174-V177 HydrophobicContact CB-CB 4.16Å; A174-D205 HydrophobicContact CB-CB 4.39Å; A174-E207 HydrophobicContact CB-CB 3.5Å; A174-E207 VanDerWaalsContact CB-CB 3.5Å; A174-K394 PolarHBondContact O-NZ 2.89Å
175	P	79.5	Confident	90.7	Very high	42 Å²	42	28.1 Å²	28.1	27%	0.273	16%	0.162	S	C	.	.	S	Bend	trans	-57.6	-46.9	178.2	-27.2	35.3	0	0	0	114.2	E207 K304 K394	P175-E207 VanDerWaalsContact CD-OE2 3.31Å; P175-E207 WeakPolarHBondContact CD-OE2 3.37Å; P175-K304 HydrophobicContact CG-CB 3.99Å; P175-K304 HydrophobicContact CG-CG 4.24Å; P175-K394 PolarHBondContact O-NZ 3.14Å
176	Q	81.1	Confident	90.8	Very high	172 Å²	172	27.6 Å²	27.6	80%	0.804	16%	0.159	S	C	*	.	S	Bend	trans	-113	-19.8	-171.5	-57.7	-175.1	-0.1	0	0	113.7	A174 E207	A174-Q176 PolarHBondContact O-N 3.39Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.25Å; Q176-E207 PolarHBondContact N-OE2 3.43Å
177	V	77.6	Confident	90.8	Very high	48 Å²	48	27.3 Å²	27.3	29%	0.291	16%	0.157	S	C	.	.			trans	-103.2	104.1	177.7	-176.6	0	0	0	0	108.7	A174 E207	A174-V177 HydrophobicContact CB-CB 4.16Å; V177-E207 HydrophobicContact CB-CB 4.46Å; V177-E207 HydrophobicContact CG2-CB 4.06Å; V177-E207 HydrophobicContact CG2-CG 4.17Å
178	S	80.5	Confident	90.8	Very high	62 Å²	62	27.2 Å²	27.2	43%	0.434	16%	0.157	S	C	.	.			trans	-119.8	132.5	173.9	-172.2	0	0	0	0	109.5	A180 E183	S178-A180 PolarHBondContact OG-O 3.42Å; S178-E183 WeakPolarHBondContact CA-OE2 3.32Å; S178-E183 WeakPolarHBondContact CB-OE2 3.47Å; S178-E183 VanDerWaalsContact OG-CD 3.27Å; S178-E183 PolarHBondContact OG-OE2 3.38Å
179	T	76.9	Confident	90.8	Very high	74 Å²	74	27.3 Å²	27.3	45%	0.454	16%	0.157	S	C	.	.	S	Bend	trans	-88.4	-19	179.6	57.4	0	0	0	0	112.5
180	A	86.1	Confident	90.8	Very high	10 Å²	10	26.9 Å²	26.9	8%	0.083	16%	0.156	C	C	.	.			trans	-146.4	141.1	-177.9	0	0	0	0	0	111.5	N101 S178 V182 E183	N101-A180 HydrophobicContact CB-CB 3.72Å; S178-A180 PolarHBondContact OG-O 3.42Å; A180-V182 PolarHBondContact O-N 3.43Å; A180-E183 HydrophobicContact CB-CB 4.48Å; A180-E183 WeakPolarHBondContact O-CB 3.45Å; A180-E183 PolarHBondContact O-N 3.28Å; A180-E183 VanDerWaalsContact O-N 3.08Å
181	V	90.4	Very high	90.8	Very high	103 Å²	103	27 Å²	27	62%	0.624	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.2	179.1	-178.9	0	0	0	0	112.1	M398 F404	V181-M398 VanDerWaalsContact O-CE 3.3Å; V181-M398 WeakPolarHBondContact O-CE 3.23Å; V181-F404 HydrophobicContact CB-CE2 4.44Å; V181-F404 HydrophobicContact CG1-CD2 4.29Å; V181-F404 HydrophobicContact CG1-CE2 3.44Å; V181-F404 VanDerWaalsContact CG1-CE2 3.44Å; V181-F404 HydrophobicContact CG1-CZ 3.82Å
182	V	95	Very high	90.9	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.042	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	9.6	-178.7	-57.7	0	0	0	0	113.7	N101 A180 P184 Y185 N186 M398 F404 Y408	N101-V182 HydrophobicContact CB-CG2 4.42Å; N101-V182 WeakPolarHBondContact O-CG2 3.39Å; A180-V182 PolarHBondContact O-N 3.43Å; V182-P184 VanDerWaalsContact C-N 3.26Å; V182-Y185 PolarHBondContact O-N 2.78Å; V182-Y185 VanDerWaalsContact O-N 3.09Å; V182-N186 PolarHBondContact O-N 2.95Å; V182-M398 HydrophobicContact CG1-CE 4.4Å; V182-F404 HydrophobicContact CG1-CB 3.68Å; V182-F404 HydrophobicContact CG1-CD1 4.32Å; V182-F404 HydrophobicContact CG1-CD2 3.86Å; V182-F404 HydrophobicContact CG1-CG 3.69Å; V182-Y408 HydrophobicContact CB-CE2 4.3Å; V182-Y408 VanDerWaalsContact CB-OH 3.25Å; V182-Y408 WeakPolarHBondContact CB-OH 3.48Å; V182-Y408 HydrophobicContact CG1-CE2 4.38Å; V182-Y408 VanDerWaalsContact CG2-OH 3.31Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.39Å; V182-Y408 PolarHBondContact O-OH 3.27Å
183	E	95.5	Very high	91	Very high	9 Å²	9	30.2 Å²	30.2	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-48.5	-41.3	175.1	173.1	-179.9	-100.2	0	0	112.9	P173 S178 A180 Y185 N186 S187	P173-E183 HydrophobicContact CB-CG 3.93Å; P173-E183 HydrophobicContact CG-CG 3.71Å; S178-E183 WeakPolarHBondContact CA-OE2 3.32Å; S178-E183 WeakPolarHBondContact CB-OE2 3.47Å; S178-E183 VanDerWaalsContact OG-CD 3.27Å; S178-E183 PolarHBondContact OG-OE2 3.38Å; A180-E183 HydrophobicContact CB-CB 4.48Å; A180-E183 WeakPolarHBondContact O-CB 3.45Å; A180-E183 PolarHBondContact O-N 3.28Å; A180-E183 VanDerWaalsContact O-N 3.08Å; E183-Y185 PolarHBondContact O-N 2.99Å; E183-N186 PolarHBondContact O-N 3.45Å; E183-S187 WeakPolarHBondContact O-CB 3.37Å; E183-S187 PolarHBondContact O-N 2.99Å; E183-S187 PolarHBondContact O-OG 2.92Å
184	P	96.1	Very high	91.3	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.045	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-44.7	177.5	-27.4	37.1	0	0	0	114.1	V182 S187 V188 L391 K394 F395 M398	V182-P184 VanDerWaalsContact C-N 3.26Å; P184-S187 PolarHBondContact O-N 2.93Å; P184-V188 WeakPolarHBondContact O-CG2 3.41Å; P184-V188 PolarHBondContact O-N 2.81Å; P184-V188 VanDerWaalsContact O-N 3.07Å; P184-L391 HydrophobicContact CB-CD1 4.08Å; P184-K394 HydrophobicContact CB-CB 4.07Å; P184-K394 HydrophobicContact CG-CB 3.79Å; P184-K394 HydrophobicContact CG-CD 4.37Å; P184-F395 HydrophobicContact CB-CB 4.44Å; P184-M398 HydrophobicContact CB-SD 4.18Å; P184-M398 HydrophobicContact CG-SD 3.82Å
185	Y	97.6	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-48.1	177.5	-70.9	-13.9	0	0	0	111.9	V182 E183 S187 V188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418	V182-Y185 PolarHBondContact O-N 2.78Å; V182-Y185 VanDerWaalsContact O-N 3.09Å; E183-Y185 PolarHBondContact O-N 2.99Å; Y185-S187 VanDerWaalsContact C-N 3.26Å; Y185-S187 PolarHBondContact O-N 2.94Å; Y185-V188 PolarHBondContact O-N 2.79Å; Y185-L189 WeakPolarHBondContact O-CB 3.23Å; Y185-L189 WeakPolarHBondContact O-CD1 3.36Å; Y185-L189 WeakPolarHBondContact O-CG 3.45Å; Y185-L189 PolarHBondContact O-N 3.28Å; Y185-F395 AromaticContact CD1-CD2 3.45Å; Y185-F395 HydrophobicContact CD1-CD2 3.45Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.45Å; Y185-F395 AromaticContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CE2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CG 4.19Å; Y185-F395 HydrophobicContact CD1-CZ 4.21Å; Y185-F395 AromaticContact CE1-CD2 3.97Å; Y185-F395 HydrophobicContact CE1-CD2 3.97Å; Y185-F395 AromaticContact CE1-CE2 3.94Å; Y185-F395 HydrophobicContact CE1-CE2 3.94Å; Y185-F395 HydrophobicContact CE1-CG 4.31Å; Y185-F395 HydrophobicContact CE1-CZ 4.27Å; Y185-F395 HydrophobicContact CG-CE2 4.43Å; Y185-M398 HydrophobicContact CD2-CE 4.44Å; Y185-M398 HydrophobicContact CE1-CB 3.86Å; Y185-M398 HydrophobicContact CE2-CE 4.19Å; Y185-M398 PolarHBondContact OH-O 3.33Å; Y185-Y399 HydrophobicContact CE1-CD2 4.41Å; Y185-Y399 VanDerWaalsContact OH-CA 3.26Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.38Å; Y185-Y399 PolarHBondContact OH-N 3.39Å; Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 3.24Å; Y185-F404 HydrophobicContact CE2-CB 4.48Å; Y185-V405 HydrophobicContact CE2-CG2 4.19Å; Y185-Y408 HydrophobicContact CD2-CD2 4.38Å; Y185-Y408 AromaticContact CD2-CE2 3.8Å; Y185-Y408 HydrophobicContact CD2-CE2 3.8Å; Y185-F418 HydrophobicContact CD1-CD1 4.28Å; Y185-F418 HydrophobicContact CD1-CE1 4.01Å; Y185-F418 AromaticContact CD2-CE1 3.68Å; Y185-F418 HydrophobicContact CD2-CE1 3.68Å; Y185-F418 HydrophobicContact CD2-CZ 4.2Å; Y185-F418 HydrophobicContact CE1-CE1 4.4Å; Y185-F418 HydrophobicContact CE2-CE1 4.09Å; Y185-F418 HydrophobicContact CE2-CZ 4.48Å; Y185-F418 HydrophobicContact CG-CD1 4.33Å; Y185-F418 AromaticContact CG-CE1 3.62Å; Y185-F418 HydrophobicContact CG-CE1 3.62Å
186	N	97.6	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-42.8	179.6	-68.3	-12.3	0	0	0	111.7	N101 Y103 F141 G142 V182 E183 T190 Y408	N101-N186 PolarHBondContact O-ND2 2.92Å; Y103-N186 VanDerWaalsContact CB-OD1 3.27Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.28Å; Y103-N186 PolarHBondContact N-OD1 3.4Å; F141-N186 CarbonylContact O-C 3.51Å; F141-N186 VanDerWaalsContact O-C 3.28Å; F141-N186 VanDerWaalsContact O-CB 3.32Å; F141-N186 WeakPolarHBondContact O-CB 3.43Å; G142-N186 PolarHBondContact O-ND2 2.87Å; V182-N186 PolarHBondContact O-N 2.95Å; E183-N186 PolarHBondContact O-N 3.45Å; N186-T190 WeakPolarHBondContact O-CB 3.46Å; N186-T190 PolarHBondContact O-N 2.78Å; N186-T190 PolarHBondContact O-OG1 2.82Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.28Å; N186-Y408 PolarHBondContact OD1-OH 3.49Å
187	S	96.8	Very high	93.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.7	-39.3	-175.9	-60.6	0	0	0	0	112.4	F141 P173 E183 P184 Y185 T191	F141-S187 VanDerWaalsContact C-OG 3.23Å; F141-S187 WeakPolarHBondContact CB-OG 3.26Å; F141-S187 WeakPolarHBondContact O-CA 3.46Å; F141-S187 PolarHBondContact O-N 2.75Å; F141-S187 PolarHBondContact O-OG 2.83Å; P173-S187 WeakPolarHBondContact CG-OG 3.5Å; E183-S187 WeakPolarHBondContact O-CB 3.37Å; E183-S187 PolarHBondContact O-N 2.99Å; E183-S187 PolarHBondContact O-OG 2.92Å; P184-S187 PolarHBondContact O-N 2.93Å; Y185-S187 VanDerWaalsContact C-N 3.26Å; Y185-S187 PolarHBondContact O-N 2.94Å; S187-T191 WeakPolarHBondContact O-CB 3.27Å; S187-T191 PolarHBondContact O-N 2.76Å; S187-T191 PolarHBondContact O-OG1 2.8Å
188	V	97.5	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-48.4	174.2	172.4	0	0	0	0	110.3	P184 Y185 T190 T191 H192 L391 F395 A421 R422 L425	P184-V188 WeakPolarHBondContact O-CG2 3.41Å; P184-V188 PolarHBondContact O-N 2.81Å; P184-V188 VanDerWaalsContact O-N 3.07Å; Y185-V188 PolarHBondContact O-N 2.79Å; V188-T190 PolarHBondContact O-N 2.7Å; V188-T191 PolarHBondContact O-N 2.83Å; V188-H192 WeakPolarHBondContact O-CB 3.21Å; V188-H192 PolarHBondContact O-N 3.14Å; V188-L391 HydrophobicContact CG2-CD2 3.67Å; V188-L391 HydrophobicContact CG2-CG 3.82Å; V188-F395 HydrophobicContact CB-CD2 3.77Å; V188-F395 HydrophobicContact CB-CE2 4Å; V188-F395 HydrophobicContact CG1-CD2 4.05Å; V188-F395 HydrophobicContact CG1-CE2 3.95Å; V188-F395 HydrophobicContact CG2-CB 4.16Å; V188-F395 HydrophobicContact CG2-CD2 3.54Å; V188-F395 HydrophobicContact CG2-CE2 4.27Å; V188-F395 HydrophobicContact CG2-CG 4.11Å; V188-A421 HydrophobicContact CG1-CB 3.83Å; V188-R422 HydrophobicContact CG1-CB 4.48Å; V188-L425 HydrophobicContact CG2-CD2 3.82Å
189	L	98.2	Very high	94.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-44.5	179.2	-68.3	166.7	0	0	0	112.3	Y103 Y185 H192 T193 Y408 M413 F418 A421	Y103-L189 HydrophobicContact CD1-CB 4.04Å; Y103-L189 HydrophobicContact CD1-CD1 3.8Å; Y103-L189 HydrophobicContact CD1-CG 4.48Å; Y103-L189 HydrophobicContact CD2-CB 3.86Å; Y103-L189 HydrophobicContact CE1-CB 4.03Å; Y103-L189 HydrophobicContact CE1-CD1 4.41Å; Y103-L189 HydrophobicContact CE2-CB 3.84Å; Y103-L189 HydrophobicContact CG-CB 3.98Å; Y103-L189 HydrophobicContact CG-CD1 3.97Å; Y185-L189 WeakPolarHBondContact O-CB 3.23Å; Y185-L189 WeakPolarHBondContact O-CD1 3.36Å; Y185-L189 WeakPolarHBondContact O-CG 3.45Å; Y185-L189 PolarHBondContact O-N 3.28Å; L189-H192 PolarHBondContact O-N 3.16Å; L189-T193 PolarHBondContact O-N 2.82Å; L189-T193 PolarHBondContact O-OG1 3.26Å; L189-Y408 HydrophobicContact CD1-CD1 3.93Å; L189-Y408 HydrophobicContact CD1-CE1 3.83Å; L189-M413 HydrophobicContact CD1-CE 3.73Å; L189-M413 HydrophobicContact CD1-SD 3.95Å; L189-M413 HydrophobicContact CD2-CE 3.47Å; L189-M413 VanDerWaalsContact CD2-CE 3.47Å; L189-M413 HydrophobicContact CD2-SD 4.46Å; L189-M413 HydrophobicContact CG-CE 4.26Å; L189-F418 HydrophobicContact CD1-CD1 4.48Å; L189-F418 HydrophobicContact CD1-CE1 4.06Å; L189-A421 HydrophobicContact CD2-CB 3.88Å
190	T	97.8	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-45.6	175.3	-76.5	0	0	0	0	112.1	Y103 F141 S147 N186 V188 H192 T193 T194	Y103-T190 WeakPolarHBondContact CE2-OG1 3.36Å; F141-T190 HydrophobicContact CD1-CG2 3.98Å; F141-T190 HydrophobicContact CD2-CG2 4.34Å; F141-T190 HydrophobicContact CE1-CG2 4.03Å; F141-T190 HydrophobicContact CE2-CG2 4.36Å; F141-T190 HydrophobicContact CG-CG2 4.14Å; F141-T190 HydrophobicContact CZ-CG2 4.22Å; S147-T190 WeakPolarHBondContact CA-OG1 3.42Å; S147-T190 WeakPolarHBondContact CB-OG1 3.45Å; S147-T190 PolarHBondContact O-OG1 2.89Å; N186-T190 WeakPolarHBondContact O-CB 3.46Å; N186-T190 PolarHBondContact O-N 2.78Å; N186-T190 PolarHBondContact O-OG1 2.82Å; V188-T190 PolarHBondContact O-N 2.7Å; T190-H192 VanDerWaalsContact C-N 3.27Å; T190-H192 PolarHBondContact O-N 2.71Å; T190-T193 PolarHBondContact O-N 2.91Å; T190-T194 HydrophobicContact CG2-CG2 4.06Å; T190-T194 WeakPolarHBondContact O-CB 3.42Å; T190-T194 WeakPolarHBondContact O-CG2 3.49Å; T190-T194 PolarHBondContact O-N 3.27Å; T190-T194 PolarHBondContact O-OG1 3.19Å
191	T	96.8	Very high	96.1	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-46.7	178.5	-50.7	0	0	0	0	110.3	F141 S187 V188 L195 F267 L425 L428	F141-T191 VanDerWaalsContact CE1-OG1 3.26Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.48Å; S187-T191 WeakPolarHBondContact O-CB 3.27Å; S187-T191 PolarHBondContact O-N 2.76Å; S187-T191 PolarHBondContact O-OG1 2.8Å; V188-T191 PolarHBondContact O-N 2.83Å; T191-L195 VanDerWaalsContact O-CB 3.32Å; T191-L195 WeakPolarHBondContact O-CB 3.39Å; T191-L195 PolarHBondContact O-N 3.44Å; T191-L195 VanDerWaalsContact O-N 3.11Å; T191-F267 HydrophobicContact CG2-CZ 3.99Å; T191-L425 HydrophobicContact CG2-CD1 3.79Å; T191-L428 HydrophobicContact CG2-CD2 4.39Å
192	H	97.2	Very high	96.4	Very high	57 Å²	57	17.6 Å²	17.6	26%	0.264	9%	0.087	S	C	.	.	H	α-helix	trans	-58.8	-53.8	177.9	173.7	58.7	0	0	0	112.5	V188 L189 T190 T194 L195 A421 D424	V188-H192 WeakPolarHBondContact O-CB 3.21Å; V188-H192 PolarHBondContact O-N 3.14Å; L189-H192 PolarHBondContact O-N 3.16Å; T190-H192 VanDerWaalsContact C-N 3.27Å; T190-H192 PolarHBondContact O-N 2.71Å; H192-T194 PolarHBondContact O-N 3.18Å; H192-L195 WeakPolarHBondContact O-CB 3.5Å; H192-L195 PolarHBondContact O-N 2.81Å; H192-A421 HydrophobicContact CB-CB 3.5Å; H192-D424 IonicContact CE1-OD2 3.73Å; H192-D424 IonicContact CG-OD2 3.48Å; H192-D424 WeakPolarHBondContact ND1-CB 3.48Å; H192-D424 IonicContact ND1-OD2 3.08Å; H192-D424 PolarHBondContact ND1-OD2 2.7Å
193	T	96.9	Very high	96.4	Very high	24 Å²	24	17.3 Å²	17.3	15%	0.147	9%	0.085	C	C	.	.	H	α-helix	trans	-71	-33	-175.2	-54.6	0	0	0	0	113.1	Y103 E155 L189 T190 H197	Y103-T193 WeakPolarHBondContact OH-CB 3.3Å; Y103-T193 PolarHBondContact OH-OG1 3.26Å; E155-T193 HydrophobicContact CG-CG2 4.29Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.46Å; L189-T193 PolarHBondContact O-N 2.82Å; L189-T193 PolarHBondContact O-OG1 3.26Å; T190-T193 PolarHBondContact O-N 2.91Å; T193-H197 PolarHBondContact O-CD2 3.33Å; T193-H197 VanDerWaalsContact O-CD2 3.24Å
194	T	97.1	Very high	96.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-85.3	-11.3	180	66.4	0	0	0	0	113.6	M154 T190 H192 E196 H197 S198	M154-T194 HydrophobicContact CB-CG2 4.39Å; M154-T194 HydrophobicContact CG-CG2 4.24Å; T190-T194 HydrophobicContact CG2-CG2 4.06Å; T190-T194 WeakPolarHBondContact O-CB 3.42Å; T190-T194 WeakPolarHBondContact O-CG2 3.49Å; T190-T194 PolarHBondContact O-N 3.27Å; T190-T194 PolarHBondContact O-OG1 3.19Å; H192-T194 PolarHBondContact O-N 3.18Å; T194-E196 VanDerWaalsContact C-N 3.27Å; T194-E196 PolarHBondContact O-N 3.42Å; T194-H197 CarbonylContact O-C 3.52Å; T194-H197 PolarHBondContact O-N 2.7Å; T194-S198 WeakPolarHBondContact O-CB 3.4Å; T194-S198 PolarHBondContact O-N 2.88Å
195	L	95.4	Very high	96.3	Very high	8 Å²	8	17 Å²	17	4%	0.042	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.4	-172.8	-161.2	68.1	0	0	0	113.7	T191 H192 R264 H266 F267 L428	T191-L195 VanDerWaalsContact O-CB 3.32Å; T191-L195 WeakPolarHBondContact O-CB 3.39Å; T191-L195 PolarHBondContact O-N 3.44Å; T191-L195 VanDerWaalsContact O-N 3.11Å; H192-L195 WeakPolarHBondContact O-CB 3.5Å; H192-L195 PolarHBondContact O-N 2.81Å; L195-R264 HydrophobicContact CD2-CG 4.26Å; L195-R264 VanDerWaalsContact CD2-CZ 3.43Å; L195-R264 HydrophobicContact CG-CG 4.47Å; L195-H266 PolarHBondContact O-CE1 2.82Å; L195-F267 HydrophobicContact CD1-CE2 3.81Å; L195-F267 HydrophobicContact CD1-CZ 3.9Å; L195-L428 HydrophobicContact CD1-CD2 4.21Å
196	E	93.9	Very high	96	Very high	172 Å²	172	17.8 Å²	17.8	80%	0.804	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.8	179.3	-59.6	-169.6	160.2	0	0	113.4	T194	T194-E196 VanDerWaalsContact C-N 3.27Å; T194-E196 PolarHBondContact O-N 3.42Å
197	H	96.3	Very high	95.8	Very high	41 Å²	41	18.8 Å²	18.8	19%	0.19	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-15.9	-173	-60.7	-29.2	0	0	0	113	M154 E155 S158 K166 T193 T194	M154-H197 HydrophobicContact CB-CB 3.99Å; M154-H197 HydrophobicContact CE-CB 4.15Å; M154-H197 VanDerWaalsContact CE-O 3.26Å; M154-H197 WeakPolarHBondContact CE-O 3.18Å; E155-H197 WeakPolarHBondContact CG-NE2 3.49Å; S158-H197 WeakPolarHBondContact OG-CB 3.35Å; S158-H197 PolarHBondContact OG-ND1 3.05Å; K166-H197 WeakPolarHBondContact CD-O 3.4Å; K166-H197 WeakPolarHBondContact CE-O 3.43Å; T193-H197 PolarHBondContact O-CD2 3.33Å; T193-H197 VanDerWaalsContact O-CD2 3.24Å; T194-H197 CarbonylContact O-C 3.52Å; T194-H197 PolarHBondContact O-N 2.7Å
198	S	95.8	Very high	95.7	Very high	10 Å²	10	19 Å²	19	7%	0.07	9%	0.094	C	C	.	.			trans	-94.7	135.1	177.6	-166	0	0	0	0	111.3	E168 T194	E168-S198 WeakPolarHBondContact OE1-CB 3.19Å; E168-S198 PolarHBondContact OE1-OG 3.1Å; T194-S198 WeakPolarHBondContact O-CB 3.4Å; T194-S198 PolarHBondContact O-N 2.88Å
199	D	95.3	Very high	95.6	Very high	31 Å²	31	19 Å²	19	17%	0.166	9%	0.094	C	C	.	.	S	Bend	trans	-88.3	-27.6	173	-65.4	-71.5	0	0	0	111.7	S165 K166 L167 Q256	S165-D199 WeakPolarHBondContact CA-OD2 3.33Å; K166-D199 PolarHBondContact N-OD2 3.01Å; K166-D199 PolarHBondContact O-N 2.84Å; L167-D199 HydrophobicContact CD2-CB 4.24Å; D199-Q256 HydrophobicContact CB-CG 4.38Å; D199-Q256 PolarHBondContact OD1-NE2 2.76Å
200	C	95	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	129.5	179.1	-172.1	0	0	0	0	110	L167 E168 F202 V260	L167-C200 CarbonylContact C-O 3.55Å; L167-C200 VanDerWaalsContact CA-O 3.29Å; L167-C200 WeakPolarHBondContact CA-O 3.24Å; L167-C200 HydrophobicContact CD2-CB 3.66Å; E168-C200 PolarHBondContact N-O 2.63Å; C200-F202 WeakPolarHBondContact SG-CE1 3.35Å; C200-V260 HydrophobicContact CB-CG2 4.43Å
201	A	96.4	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.7	176.9	0	0	0	0	0	110.5	E168 M203 H266 F267 P268	E168-A201 HydrophobicContact CB-CB 4.01Å; A201-M203 HydrophobicContact CB-SD 3.94Å; A201-M203 WeakPolarHBondContact O-CG 3.31Å; A201-M203 PolarHBondContact O-N 3.08Å; A201-H266 PolarHBondContact N-O 2.54Å; A201-F267 HydrophobicContact CB-CD1 3.74Å; A201-F267 HydrophobicContact CB-CE1 3.96Å; A201-F267 WeakPolarHBondContact O-CA 3.23Å; A201-P268 WeakPolarHBondContact O-CD 3.46Å
202	F	96.3	Very high	95.1	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	107.1	175.6	-58	-60	0	0	0	109.5	L167 E168 F169 A170 C200 I238 F255 L259 P268 V270 L378	L167-F202 HydrophobicContact CB-CE2 4.18Å; L167-F202 HydrophobicContact CD1-CE2 4.05Å; L167-F202 HydrophobicContact CD1-CZ 4.42Å; E168-F202 WeakPolarHBondContact O-CB 3.43Å; E168-F202 WeakPolarHBondContact O-CD2 3.5Å; E168-F202 PolarHBondContact O-N 3.07Å; F169-F202 HydrophobicContact CD1-CB 4.17Å; F169-F202 HydrophobicContact CD1-CD2 4.11Å; F169-F202 HydrophobicContact CE1-CB 4.42Å; F169-F202 AromaticContact CE1-CD2 3.77Å; F169-F202 HydrophobicContact CE1-CD2 3.77Å; F169-F202 HydrophobicContact CE1-CE2 4.5Å; F169-F202 HydrophobicContact CE1-CG 4.4Å; F169-F202 HydrophobicContact CE2-CD2 4.29Å; F169-F202 AromaticContact CZ-CD2 3.85Å; F169-F202 HydrophobicContact CZ-CD2 3.85Å; F169-F202 HydrophobicContact CZ-CE2 4.21Å; A170-F202 PolarHBondContact N-O 3.45Å; A170-F202 VanDerWaalsContact N-O 3.1Å; C200-F202 WeakPolarHBondContact SG-CE1 3.35Å; F202-I238 HydrophobicContact CD1-CD1 4.15Å; F202-I238 HydrophobicContact CD2-CD1 3.87Å; F202-I238 HydrophobicContact CE1-CD1 4.25Å; F202-I238 HydrophobicContact CE2-CD1 3.95Å; F202-I238 HydrophobicContact CE2-CG2 4.12Å; F202-I238 HydrophobicContact CG-CD1 3.97Å; F202-I238 HydrophobicContact CZ-CD1 4.14Å; F202-I238 HydrophobicContact CZ-CG2 4.32Å; F202-F255 HydrophobicContact CZ-CB 4.4Å; F202-F255 HydrophobicContact CZ-CD1 4.35Å; F202-F255 HydrophobicContact CZ-CG 4.26Å; F202-L259 HydrophobicContact CE1-CD1 4.07Å; F202-P268 HydrophobicContact CD1-CB 4.31Å; F202-P268 HydrophobicContact CD1-CG 4.47Å; F202-P268 HydrophobicContact CE1-CG 4.44Å; F202-V270 HydrophobicContact CB-CG2 4Å; F202-L378 HydrophobicContact CD1-CD1 4.37Å; F202-L378 HydrophobicContact CD1-CD2 4.02Å; F202-L378 HydrophobicContact CE1-CD1 3.71Å; F202-L378 HydrophobicContact CE1-CD2 4.2Å; F202-L378 HydrophobicContact CE1-CG 4.39Å; F202-L378 HydrophobicContact CZ-CD1 4.17Å
203	M	94.7	Very high	94.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133	-172.7	-55.1	-52.9	-82.9	0	0	110.8	F141 A170 Y172 A201 F267 P268 V303 W388	F141-M203 HydrophobicContact CE2-CE 4.36Å; F141-M203 HydrophobicContact CZ-CE 4.23Å; A170-M203 HydrophobicContact CB-SD 3.95Å; Y172-M203 HydrophobicContact CD1-CE 4.42Å; Y172-M203 HydrophobicContact CD2-CE 3.06Å; Y172-M203 HydrophobicContact CE2-CE 3.81Å; Y172-M203 HydrophobicContact CG-CE 3.43Å; Y172-M203 VanDerWaalsContact CG-CE 3.43Å; A201-M203 HydrophobicContact CB-SD 3.94Å; A201-M203 WeakPolarHBondContact O-CG 3.31Å; A201-M203 PolarHBondContact O-N 3.08Å; M203-F267 HydrophobicContact CE-CD1 4.22Å; M203-F267 HydrophobicContact CG-CB 4.03Å; M203-F267 HydrophobicContact CG-CD1 4.17Å; M203-F267 HydrophobicContact SD-CD1 3.8Å; M203-P268 PolarHBondContact N-O 3.28Å; M203-V303 HydrophobicContact CB-CG2 3.88Å; M203-V303 VanDerWaalsContact O-CG2 3.26Å; M203-V303 WeakPolarHBondContact O-CG2 3.4Å; M203-W388 HydrophobicContact CE-CH2 4.1Å
204	V	95.3	Very high	94.7	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.048	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.9	165.5	-56.1	0	0	0	0	109.5	A170 I171 Y172 I209 I231 I234 V270 M302	A170-V204 PolarHBondContact O-N 3.04Å; I171-V204 WeakPolarHBondContact CA-O 3.49Å; I171-V204 HydrophobicContact CD1-CG2 3.35Å; Y172-V204 PolarHBondContact N-O 3.19Å; V204-I209 HydrophobicContact CB-CD1 4.05Å; V204-I209 HydrophobicContact CG2-CD1 4.22Å; V204-I231 HydrophobicContact CG2-CD1 3.99Å; V204-I231 HydrophobicContact CG2-CG1 4.33Å; V204-I234 HydrophobicContact CG1-CD1 4.15Å; V204-V270 HydrophobicContact CG1-CB 4.29Å; V204-V270 HydrophobicContact CG1-CG2 4.35Å; V204-M302 CarbonylContact C-O 3.57Å; V204-M302 WeakPolarHBondContact CA-O 3.35Å; V204-M302 HydrophobicContact CB-CB 4.33Å; V204-M302 HydrophobicContact CG1-CB 4.09Å
205	D	93.8	Very high	94.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.6	172.5	85.7	52.4	0	0	0	111.3	A174 E207 A208 I209 M302 V303 K304	A174-D205 HydrophobicContact CB-CB 4.39Å; D205-E207 PolarHBondContact O-N 3.05Å; D205-E207 WeakPolarHBondContact OD1-CA 3.17Å; D205-E207 PolarHBondContact OD1-N 2.96Å; D205-A208 VanDerWaalsContact OD1-CB 3.23Å; D205-A208 WeakPolarHBondContact OD1-CB 3.48Å; D205-A208 PolarHBondContact OD1-N 3.19Å; D205-I209 WeakPolarHBondContact O-CD1 3.41Å; D205-I209 VanDerWaalsContact O-CG1 3.27Å; D205-I209 WeakPolarHBondContact O-CG1 3.24Å; D205-I209 PolarHBondContact O-N 3.37Å; D205-M302 PolarHBondContact N-O 3.15Å; D205-V303 VanDerWaalsContact OD2-C 3.28Å; D205-V303 WeakPolarHBondContact OD2-CA 3.48Å; D205-K304 WeakPolarHBondContact OD2-CB 3.18Å; D205-K304 WeakPolarHBondContact OD2-CG 3.41Å; D205-K304 PolarHBondContact OD2-N 3.45Å
206	N	92.7	Very high	94.3	Very high	18 Å²	18	35.2 Å²	35.2	10%	0.096	16%	0.156	C	C	.	.	H	α-helix	trans	-66.8	-37.9	-176.6	-72	-35.3	0	0	0	112.2	I209 Y210 L227	N206-I209 PolarHBondContact O-N 3.12Å; N206-Y210 HydrophobicContact CB-CD2 4.17Å; N206-Y210 HydrophobicContact CB-CE2 4.06Å; N206-Y210 WeakPolarHBondContact O-CB 3.41Å; N206-Y210 WeakPolarHBondContact O-CD2 3.45Å; N206-Y210 PolarHBondContact O-N 2.88Å; N206-L227 HydrophobicContact CB-CD2 4Å
207	E	93.4	Very high	94.1	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.093	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-44.5	-173.6	-172.8	-174.9	138	0	0	112.6	A174 P175 Q176 V177 D205 Y210 D211 K304	A174-E207 HydrophobicContact CB-CB 3.5Å; A174-E207 VanDerWaalsContact CB-CB 3.5Å; P175-E207 VanDerWaalsContact CD-OE2 3.31Å; P175-E207 WeakPolarHBondContact CD-OE2 3.37Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.25Å; Q176-E207 PolarHBondContact N-OE2 3.43Å; V177-E207 HydrophobicContact CB-CB 4.46Å; V177-E207 HydrophobicContact CG2-CB 4.06Å; V177-E207 HydrophobicContact CG2-CG 4.17Å; D205-E207 PolarHBondContact O-N 3.05Å; D205-E207 WeakPolarHBondContact OD1-CA 3.17Å; D205-E207 PolarHBondContact OD1-N 2.96Å; E207-Y210 WeakPolarHBondContact O-CB 3.42Å; E207-Y210 PolarHBondContact O-N 3.45Å; E207-D211 PolarHBondContact O-N 2.93Å; E207-K304 HydrophobicContact CB-CG 4.4Å; E207-K304 HydrophobicContact CG-CG 4.49Å; E207-K304 VanDerWaalsContact OE1-CE 3.29Å; E207-K304 WeakPolarHBondContact OE1-CE 3.33Å; E207-K304 IonicContact OE1-NZ 2.62Å
208	A	94.4	Very high	93.6	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-45.6	173.1	0	0	0	0	0	110.8	D205 D211 I212 K304	D205-A208 VanDerWaalsContact OD1-CB 3.23Å; D205-A208 WeakPolarHBondContact OD1-CB 3.48Å; D205-A208 PolarHBondContact OD1-N 3.19Å; A208-D211 PolarHBondContact O-N 3.25Å; A208-I212 VanDerWaalsContact O-CG1 3.3Å; A208-I212 WeakPolarHBondContact O-CG1 3.37Å; A208-I212 PolarHBondContact O-N 2.98Å; A208-K304 HydrophobicContact CB-CD 4.28Å; A208-K304 HydrophobicContact CB-CG 4.24Å
209	I	94.8	Very high	93.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-39.7	176.8	-60.2	167.2	0	0	0	111.2	V204 D205 N206 D211 I212 C213 L227 L230 I231 M302	V204-I209 HydrophobicContact CB-CD1 4.05Å; V204-I209 HydrophobicContact CG2-CD1 4.22Å; D205-I209 WeakPolarHBondContact O-CD1 3.41Å; D205-I209 VanDerWaalsContact O-CG1 3.27Å; D205-I209 WeakPolarHBondContact O-CG1 3.24Å; D205-I209 PolarHBondContact O-N 3.37Å; N206-I209 PolarHBondContact O-N 3.12Å; I209-D211 VanDerWaalsContact C-N 3.31Å; I209-D211 PolarHBondContact O-N 2.75Å; I209-I212 PolarHBondContact O-N 3.39Å; I209-C213 WeakPolarHBondContact O-CB 3.35Å; I209-C213 PolarHBondContact O-N 3.29Å; I209-C213 PolarHBondContact O-SG 2.96Å; I209-C213 VanDerWaalsContact O-SG 3.33Å; I209-L227 HydrophobicContact CB-CG 4.02Å; I209-L227 HydrophobicContact CG2-CB 4.05Å; I209-L227 HydrophobicContact CG2-CD1 4.08Å; I209-L227 HydrophobicContact CG2-CG 3.57Å; I209-L230 HydrophobicContact CG2-CB 4.46Å; I209-L230 HydrophobicContact CG2-CD2 3.82Å; I209-I231 HydrophobicContact CD1-CD1 3.87Å; I209-I231 HydrophobicContact CD1-CG1 3.78Å; I209-M302 HydrophobicContact CG1-CB 4.3Å; I209-M302 HydrophobicContact CG1-CG 4.34Å
210	Y	93.7	Very high	92.8	Very high	50 Å²	50	37.4 Å²	37.4	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-54.9	-47.8	172.8	-88.1	-64.4	0	0	0	111	N206 E207 C213 R214 P222 L227	N206-Y210 HydrophobicContact CB-CD2 4.17Å; N206-Y210 HydrophobicContact CB-CE2 4.06Å; N206-Y210 WeakPolarHBondContact O-CB 3.41Å; N206-Y210 WeakPolarHBondContact O-CD2 3.45Å; N206-Y210 PolarHBondContact O-N 2.88Å; E207-Y210 WeakPolarHBondContact O-CB 3.42Å; E207-Y210 PolarHBondContact O-N 3.45Å; Y210-C213 PolarHBondContact O-N 3.08Å; Y210-R214 WeakPolarHBondContact O-CB 3.28Å; Y210-R214 PolarHBondContact O-N 3.37Å; Y210-P222 HydrophobicContact CD1-CB 3.66Å; Y210-P222 HydrophobicContact CD1-CG 3.9Å; Y210-P222 HydrophobicContact CE1-CB 3.89Å; Y210-P222 WeakPolarHBondContact CE1-O 3.09Å; Y210-L227 HydrophobicContact CD1-CD1 3.82Å; Y210-L227 HydrophobicContact CD1-CD2 4.49Å; Y210-L227 HydrophobicContact CD2-CD2 3.85Å; Y210-L227 HydrophobicContact CE1-CD1 3.75Å; Y210-L227 HydrophobicContact CE1-CD2 4.16Å; Y210-L227 HydrophobicContact CE2-CD1 4.48Å; Y210-L227 HydrophobicContact CE2-CD2 3.47Å; Y210-L227 VanDerWaalsContact CE2-CD2 3.47Å; Y210-L227 HydrophobicContact CG-CD1 4.17Å; Y210-L227 HydrophobicContact CG-CD2 4.3Å
211	D	94.1	Very high	92.6	Very high	57 Å²	57	47.8 Å²	47.8	31%	0.305	21%	0.207	S	C	.	.	H	α-helix	trans	-66.7	-36.4	179.2	-79.5	-14.7	0	0	0	113.1	E207 A208 I209 R215 K304	E207-D211 PolarHBondContact O-N 2.93Å; A208-D211 PolarHBondContact O-N 3.25Å; I209-D211 VanDerWaalsContact C-N 3.31Å; I209-D211 PolarHBondContact O-N 2.75Å; D211-R215 WeakPolarHBondContact O-CB 3.32Å; D211-R215 VanDerWaalsContact O-CG 3.31Å; D211-R215 WeakPolarHBondContact O-CG 3.3Å; D211-R215 PolarHBondContact O-N 2.8Å; D211-R215 VanDerWaalsContact O-N 3.09Å; D211-R215 PolarHBondContact O-NE 2.68Å; D211-K304 IonicContact OD2-NZ 3.16Å; D211-K304 PolarHBondContact OD2-NZ 2.61Å
212	I	94.8	Very high	92.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-52.9	172.9	-70.8	165.1	0	0	0	109.8	A208 I209 R214 R215 K216 L230 V275 N300 M302	A208-I212 VanDerWaalsContact O-CG1 3.3Å; A208-I212 WeakPolarHBondContact O-CG1 3.37Å; A208-I212 PolarHBondContact O-N 2.98Å; I209-I212 PolarHBondContact O-N 3.39Å; I212-R214 VanDerWaalsContact C-N 3.29Å; I212-R214 PolarHBondContact O-N 3.2Å; I212-R215 PolarHBondContact O-N 2.82Å; I212-K216 HydrophobicContact CG2-CG 4.47Å; I212-K216 VanDerWaalsContact O-CB 3.25Å; I212-K216 WeakPolarHBondContact O-CB 3.25Å; I212-K216 PolarHBondContact O-N 2.83Å; I212-L230 HydrophobicContact CG2-CD2 4.06Å; I212-V275 HydrophobicContact CG2-CB 4.11Å; I212-V275 HydrophobicContact CG2-CG1 3.78Å; I212-V275 HydrophobicContact CG2-CG2 4.05Å; I212-N300 WeakPolarHBondContact CD1-O 3.46Å; I212-M302 HydrophobicContact CD1-CG 3.98Å
213	C	93.3	Very high	92.2	Very high	0 Å²	0	52 Å²	52	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-44.7	179.3	-73.5	0	0	0	0	111.8	I209 Y210 I217 D218 P222	I209-C213 WeakPolarHBondContact O-CB 3.35Å; I209-C213 PolarHBondContact O-N 3.29Å; I209-C213 PolarHBondContact O-SG 2.96Å; I209-C213 VanDerWaalsContact O-SG 3.33Å; Y210-C213 PolarHBondContact O-N 3.08Å; C213-I217 HydrophobicContact CB-CD1 4.35Å; C213-I217 CarbonylContact O-C 3.56Å; C213-I217 WeakPolarHBondContact O-CA 3.48Å; C213-I217 VanDerWaalsContact O-CB 3.32Å; C213-I217 WeakPolarHBondContact O-CB 3.12Å; C213-I217 PolarHBondContact O-N 3.24Å; C213-D218 PolarHBondContact O-N 3.14Å; C213-P222 HydrophobicContact CB-CB 3.81Å; C213-P222 HydrophobicContact CB-CG 3.61Å
214	R	93	Very high	92.1	Very high	158 Å²	158	56.1 Å²	56.1	60%	0.596	25%	0.25	S	C	*	.	H	α-helix	trans	-66.9	-42.6	-179.2	-173.4	178.4	174.1	-168.4	-0.1	113.2	Y210 I212 I219	Y210-R214 WeakPolarHBondContact O-CB 3.28Å; Y210-R214 PolarHBondContact O-N 3.37Å; I212-R214 VanDerWaalsContact C-N 3.29Å; I212-R214 PolarHBondContact O-N 3.2Å; R214-I219 WeakPolarHBondContact CA-O 3.28Å
215	R	92.6	Very high	92	Very high	107 Å²	107	58.1 Å²	58.1	40%	0.404	27%	0.267	S	S	.	.	H	α-helix	trans	-81.6	-35.4	-176.6	-69.9	178.2	-60.8	111.1	7.5	113.6	D211 I212 A299	D211-R215 WeakPolarHBondContact O-CB 3.32Å; D211-R215 VanDerWaalsContact O-CG 3.31Å; D211-R215 WeakPolarHBondContact O-CG 3.3Å; D211-R215 PolarHBondContact O-N 2.8Å; D211-R215 VanDerWaalsContact O-N 3.09Å; D211-R215 PolarHBondContact O-NE 2.68Å; I212-R215 PolarHBondContact O-N 2.82Å; R215-A299 PolarHBondContact NH2-O 3.38Å
216	K	91.1	Very high	92	Very high	59 Å²	59	58.9 Å²	58.9	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-101.2	-36.2	-169.6	-67.7	-71.2	-173.2	170.4	0	113	I212 V275 N300	I212-K216 HydrophobicContact CG2-CG 4.47Å; I212-K216 VanDerWaalsContact O-CB 3.25Å; I212-K216 WeakPolarHBondContact O-CB 3.25Å; I212-K216 PolarHBondContact O-N 2.83Å; K216-V275 HydrophobicContact CB-CB 4.2Å; K216-V275 HydrophobicContact CB-CG1 3.95Å; K216-V275 WeakPolarHBondContact CB-O 3Å; K216-N300 WeakPolarHBondContact CE-OD1 3.49Å
217	I	88.8	Confident	92.1	Very high	14 Å²	14	58 Å²	58	7%	0.072	27%	0.267	C	S	.	.	S	Bend	trans	-100.8	-3.2	-177.2	-41.5	176	0	0	0	111.3	C213 I219 V275 D367 L368	C213-I217 HydrophobicContact CB-CD1 4.35Å; C213-I217 CarbonylContact O-C 3.56Å; C213-I217 WeakPolarHBondContact O-CA 3.48Å; C213-I217 VanDerWaalsContact O-CB 3.32Å; C213-I217 WeakPolarHBondContact O-CB 3.12Å; C213-I217 PolarHBondContact O-N 3.24Å; I217-I219 HydrophobicContact CB-CD1 4.11Å; I217-I219 HydrophobicContact CB-CG1 4.04Å; I217-I219 HydrophobicContact CG2-CD1 3.77Å; I217-I219 HydrophobicContact CG2-CG1 3.87Å; I217-I219 PolarHBondContact O-N 2.89Å; I217-V275 HydrophobicContact CD1-CG1 3.68Å; I217-V275 HydrophobicContact CG1-CG1 3.59Å; I217-D367 HydrophobicContact CG2-CB 3.69Å; I217-L368 HydrophobicContact CD1-CD2 3.7Å; I217-L368 HydrophobicContact CG1-CD2 4.34Å
218	D	86.1	Confident	92.2	Very high	85 Å²	85	57.7 Å²	57.7	46%	0.455	27%	0.265	S	S	.	.			trans	56.8	28	-177.5	-53.2	-44.8	0	0	0	114.4	C213 E220 K280	C213-D218 PolarHBondContact O-N 3.14Å; D218-E220 PolarHBondContact O-N 3.31Å; D218-K280 IonicContact OD1-NZ 3.49Å; D218-K280 PolarHBondContact OD1-NZ 2.89Å; D218-K280 WeakPolarHBondContact OD2-CE 3.1Å; D218-K280 IonicContact OD2-NZ 3.36Å; D218-K280 PolarHBondContact OD2-NZ 3.12Å
219	I	86.6	Confident	92.2	Very high	32 Å²	32	61.1 Å²	61.1	16%	0.164	28%	0.277	C	S	.	.			trans	-85.8	107.2	175.2	-52.8	175.3	0	0	0	108.2	R214 I217 R221 P222 N226 D367	R214-I219 WeakPolarHBondContact CA-O 3.28Å; I217-I219 HydrophobicContact CB-CD1 4.11Å; I217-I219 HydrophobicContact CB-CG1 4.04Å; I217-I219 HydrophobicContact CG2-CD1 3.77Å; I217-I219 HydrophobicContact CG2-CG1 3.87Å; I217-I219 PolarHBondContact O-N 2.89Å; I219-R221 VanDerWaalsContact C-N 3.29Å; I219-R221 PolarHBondContact O-N 2.73Å; I219-P222 HydrophobicContact CB-CG 4.24Å; I219-P222 HydrophobicContact CG2-CB 4.29Å; I219-P222 HydrophobicContact CG2-CG 4.19Å; I219-P222 WeakPolarHBondContact O-CD 3.39Å; I219-N226 HydrophobicContact CD1-CB 4.2Å; I219-D367 HydrophobicContact CD1-CB 3.86Å
220	E	88.2	Confident	92.2	Very high	170 Å²	170	61.1 Å²	61.1	79%	0.794	28%	0.277	S	S	*	.	S	Bend	trans	-60.1	-37.7	-178.7	-69.2	-170.1	167.3	0	0	113.3	D218	D218-E220 PolarHBondContact O-N 3.31Å
221	R	90.1	Very high	92.3	Very high	217 Å²	217	59 Å²	59	82%	0.819	27%	0.269	S	S	*	.	S	Bend	trans	-129.7	82.2	177.9	-63.6	-175.5	-176	-165.9	0.1	109.6	I219	I219-R221 VanDerWaalsContact C-N 3.29Å; I219-R221 PolarHBondContact O-N 2.73Å
222	P	92.2	Very high	92.4	Very high	18 Å²	18	56.3 Å²	56.3	12%	0.117	26%	0.256	C	S	.	.			trans	-59.3	156.7	174.7	-15.8	29.1	0	0	0	110	Y210 C213 I219 N226 L227	Y210-P222 HydrophobicContact CD1-CB 3.66Å; Y210-P222 HydrophobicContact CD1-CG 3.9Å; Y210-P222 HydrophobicContact CE1-CB 3.89Å; Y210-P222 WeakPolarHBondContact CE1-O 3.09Å; C213-P222 HydrophobicContact CB-CB 3.81Å; C213-P222 HydrophobicContact CB-CG 3.61Å; I219-P222 HydrophobicContact CB-CG 4.24Å; I219-P222 HydrophobicContact CG2-CB 4.29Å; I219-P222 HydrophobicContact CG2-CG 4.19Å; I219-P222 WeakPolarHBondContact O-CD 3.39Å; P222-N226 HydrophobicContact CB-CB 4.43Å; P222-L227 HydrophobicContact CB-CD1 3.98Å
223	T	92.9	Very high	92.5	Very high	71 Å²	71	56.8 Å²	56.8	44%	0.436	26%	0.258	S	S	.	.			trans	-121.5	165.5	176	65.1	0	0	0	0	109.1	A225 N226 L227	T223-A225 PolarHBondContact O-N 2.81Å; T223-A225 VanDerWaalsContact O-N 3.1Å; T223-A225 PolarHBondContact OG1-N 2.67Å; T223-N226 PolarHBondContact N-OD1 3.27Å; T223-N226 WeakPolarHBondContact O-CA 3.48Å; T223-N226 WeakPolarHBondContact O-CB 3.3Å; T223-N226 PolarHBondContact O-N 3.41Å; T223-N226 PolarHBondContact OG1-OD1 3.48Å; T223-L227 WeakPolarHBondContact O-CD1 3.24Å; T223-L227 PolarHBondContact O-N 2.87Å; T223-L227 VanDerWaalsContact O-N 3.11Å
224	Y	92.5	Very high	92.6	Very high	88 Å²	88	56.9 Å²	56.9	35%	0.345	26%	0.258	S	S	.	.	H	α-helix	trans	-55.6	-28.8	173.6	-69.2	-62.9	0	0	0	113	N226 L227 N228	Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.07Å; Y224-L227 HydrophobicContact CD1-CD2 4.01Å; Y224-L227 HydrophobicContact CE1-CD2 4.34Å; Y224-L227 PolarHBondContact O-N 3.09Å; Y224-N228 VanDerWaalsContact O-CB 3.23Å; Y224-N228 WeakPolarHBondContact O-CB 3.21Å; Y224-N228 PolarHBondContact O-N 2.66Å; Y224-N228 PolarHBondContact O-ND2 3.3Å
225	A	93.1	Very high	92.7	Very high	49 Å²	49	49.3 Å²	49.3	41%	0.405	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-37.7	173	0	0	0	0	0	112.6	T223 R229	T223-A225 PolarHBondContact O-N 2.81Å; T223-A225 VanDerWaalsContact O-N 3.1Å; T223-A225 PolarHBondContact OG1-N 2.67Å; A225-R229 VanDerWaalsContact O-CG 3.27Å; A225-R229 WeakPolarHBondContact O-CG 3.44Å; A225-R229 PolarHBondContact O-N 3.17Å
226	N	93.5	Very high	92.9	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-43.8	175.9	-50.7	113.1	0	0	0	110.9	I219 P222 T223 Y224 R229 L230 D367	I219-N226 HydrophobicContact CD1-CB 4.2Å; P222-N226 HydrophobicContact CB-CB 4.43Å; T223-N226 PolarHBondContact N-OD1 3.27Å; T223-N226 WeakPolarHBondContact O-CA 3.48Å; T223-N226 WeakPolarHBondContact O-CB 3.3Å; T223-N226 PolarHBondContact O-N 3.41Å; T223-N226 PolarHBondContact OG1-OD1 3.48Å; Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.07Å; N226-R229 PolarHBondContact O-N 3.29Å; N226-L230 PolarHBondContact O-N 3.06Å; N226-D367 VanDerWaalsContact ND2-CG 3.26Å; N226-D367 PolarHBondContact ND2-OD1 3.11Å; N226-D367 PolarHBondContact ND2-OD2 2.87Å
227	L	94.7	Very high	93	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-52	176.7	-85.8	54	0	0	0	111	N206 I209 Y210 P222 T223 Y224 R229 L230 I231	N206-L227 HydrophobicContact CB-CD2 4Å; I209-L227 HydrophobicContact CB-CG 4.02Å; I209-L227 HydrophobicContact CG2-CB 4.05Å; I209-L227 HydrophobicContact CG2-CD1 4.08Å; I209-L227 HydrophobicContact CG2-CG 3.57Å; Y210-L227 HydrophobicContact CD1-CD1 3.82Å; Y210-L227 HydrophobicContact CD1-CD2 4.49Å; Y210-L227 HydrophobicContact CD2-CD2 3.85Å; Y210-L227 HydrophobicContact CE1-CD1 3.75Å; Y210-L227 HydrophobicContact CE1-CD2 4.16Å; Y210-L227 HydrophobicContact CE2-CD1 4.48Å; Y210-L227 HydrophobicContact CE2-CD2 3.47Å; Y210-L227 VanDerWaalsContact CE2-CD2 3.47Å; Y210-L227 HydrophobicContact CG-CD1 4.17Å; Y210-L227 HydrophobicContact CG-CD2 4.3Å; P222-L227 HydrophobicContact CB-CD1 3.98Å; T223-L227 WeakPolarHBondContact O-CD1 3.24Å; T223-L227 PolarHBondContact O-N 2.87Å; T223-L227 VanDerWaalsContact O-N 3.11Å; Y224-L227 HydrophobicContact CD1-CD2 4.01Å; Y224-L227 HydrophobicContact CE1-CD2 4.34Å; Y224-L227 PolarHBondContact O-N 3.09Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.06Å; L227-L230 WeakPolarHBondContact O-CB 3.39Å; L227-L230 PolarHBondContact O-N 2.81Å; L227-I231 WeakPolarHBondContact O-CG1 2.99Å; L227-I231 PolarHBondContact O-N 3.31Å
228	N	95.4	Very high	93.2	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.064	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-29.5	-177.8	-66.1	-15.8	0	0	0	112.4	Q15 I16 A19 Y224 I231 G232	Q15-N228 WeakPolarHBondContact CB-ND2 3.38Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.35Å; A19-N228 HydrophobicContact CB-CB 3.97Å; A19-N228 WeakPolarHBondContact CB-O 3.12Å; Y224-N228 VanDerWaalsContact O-CB 3.23Å; Y224-N228 WeakPolarHBondContact O-CB 3.21Å; Y224-N228 PolarHBondContact O-N 2.66Å; Y224-N228 PolarHBondContact O-ND2 3.3Å; N228-I231 PolarHBondContact O-N 2.85Å; N228-G232 PolarHBondContact O-N 3.4Å
229	R	94.6	Very high	93.6	Very high	76 Å²	76	37.1 Å²	37.1	29%	0.287	18%	0.176	S	C	.	.	H	α-helix	trans	-64.8	-40.8	171.3	-81	177.8	179.9	118.8	7.2	112.5	A225 N226 L227 G232 Q233 D367	A225-R229 VanDerWaalsContact O-CG 3.27Å; A225-R229 WeakPolarHBondContact O-CG 3.44Å; A225-R229 PolarHBondContact O-N 3.17Å; N226-R229 PolarHBondContact O-N 3.29Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.06Å; R229-G232 PolarHBondContact O-N 3.03Å; R229-Q233 PolarHBondContact O-N 2.96Å; R229-D367 IonicContact NH1-OD2 3.62Å
230	L	95	Very high	93.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-41.4	176	-172.7	62.1	0	0	0	110.9	I209 I212 N226 L227 G232 Q233 I234 Y272 V275 M302 L368	I209-L230 HydrophobicContact CG2-CB 4.46Å; I209-L230 HydrophobicContact CG2-CD2 3.82Å; I212-L230 HydrophobicContact CG2-CD2 4.06Å; N226-L230 PolarHBondContact O-N 3.06Å; L227-L230 WeakPolarHBondContact O-CB 3.39Å; L227-L230 PolarHBondContact O-N 2.81Å; L230-G232 VanDerWaalsContact C-N 3.29Å; L230-G232 PolarHBondContact O-N 3.09Å; L230-Q233 WeakPolarHBondContact O-CB 3.32Å; L230-Q233 PolarHBondContact O-N 3.16Å; L230-Q233 VanDerWaalsContact O-N 3.12Å; L230-I234 PolarHBondContact O-N 3.33Å; L230-Y272 HydrophobicContact CD1-CD1 4.17Å; L230-V275 HydrophobicContact CD1-CG1 4.44Å; L230-V275 HydrophobicContact CD1-CG2 3.87Å; L230-V275 HydrophobicContact CD2-CG2 4.49Å; L230-M302 HydrophobicContact CD1-CE 4.06Å; L230-M302 HydrophobicContact CD2-CE 3.5Å; L230-M302 HydrophobicContact CG-CE 3.57Å; L230-L368 HydrophobicContact CD1-CD1 4.26Å
231	I	96.5	Very high	93.9	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-40.9	173.2	-61.8	169.5	0	0	0	110.7	I16 I171 V204 I209 L227 N228 Q233 I234 V235	I16-I231 HydrophobicContact CD1-CD1 4.25Å; I16-I231 HydrophobicContact CG1-CD1 4.26Å; I16-I231 HydrophobicContact CG1-CG2 4.5Å; I16-I231 HydrophobicContact CG2-CG2 3.7Å; I171-I231 HydrophobicContact CD1-CD1 3.58Å; V204-I231 HydrophobicContact CG2-CD1 3.99Å; V204-I231 HydrophobicContact CG2-CG1 4.33Å; I209-I231 HydrophobicContact CD1-CD1 3.87Å; I209-I231 HydrophobicContact CD1-CG1 3.78Å; L227-I231 WeakPolarHBondContact O-CG1 2.99Å; L227-I231 PolarHBondContact O-N 3.31Å; N228-I231 PolarHBondContact O-N 2.85Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 2.89Å; I231-I234 HydrophobicContact CG1-CD1 4.49Å; I231-I234 VanDerWaalsContact O-CB 3.31Å; I231-I234 WeakPolarHBondContact O-CB 3.49Å; I231-I234 PolarHBondContact O-N 3.44Å; I231-I234 VanDerWaalsContact O-N 3.09Å; I231-V235 HydrophobicContact CG2-CG2 4.07Å; I231-V235 VanDerWaalsContact O-CG2 3.24Å; I231-V235 WeakPolarHBondContact O-CG2 3.07Å; I231-V235 PolarHBondContact O-N 3.11Å
232	G	96.4	Very high	93.8	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-55.8	-39.1	174.1	0	0	0	0	0	113.1	L23 N228 R229 L230 V235 S236	L23-G232 WeakPolarHBondContact CD2-O 3.47Å; N228-G232 PolarHBondContact O-N 3.4Å; R229-G232 PolarHBondContact O-N 3.03Å; L230-G232 VanDerWaalsContact C-N 3.29Å; L230-G232 PolarHBondContact O-N 3.09Å; G232-V235 PolarHBondContact O-N 3.28Å; G232-S236 WeakPolarHBondContact O-CB 3.5Å; G232-S236 PolarHBondContact O-N 3.13Å
233	Q	96	Very high	93.7	Very high	11 Å²	11	17.6 Å²	17.6	5%	0.051	9%	0.094	C	C	.	.	H	α-helix	trans	-67	-38.5	176	-67.3	-63.1	-26.8	0	0	112.9	R229 L230 I231 S237 Y272 T361 L368	R229-Q233 PolarHBondContact O-N 2.96Å; L230-Q233 WeakPolarHBondContact O-CB 3.32Å; L230-Q233 PolarHBondContact O-N 3.16Å; L230-Q233 VanDerWaalsContact O-N 3.12Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 2.89Å; Q233-S237 WeakPolarHBondContact O-CB 3.45Å; Q233-S237 PolarHBondContact O-N 3.24Å; Q233-S237 PolarHBondContact O-OG 3.48Å; Q233-Y272 HydrophobicContact CB-CE1 4.27Å; Q233-Y272 HydrophobicContact CB-CE2 4.02Å; Q233-T361 PolarHBondContact NE2-O 3.07Å; Q233-L368 HydrophobicContact CG-CD1 3.72Å
234	I	95.3	Very high	93.5	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-59.3	-55.9	172.4	-60.8	160.9	0	0	0	108.9	V204 L230 I231 S236 S237 I238 V270 M302	V204-I234 HydrophobicContact CG1-CD1 4.15Å; L230-I234 PolarHBondContact O-N 3.33Å; I231-I234 HydrophobicContact CG1-CD1 4.49Å; I231-I234 VanDerWaalsContact O-CB 3.31Å; I231-I234 WeakPolarHBondContact O-CB 3.49Å; I231-I234 PolarHBondContact O-N 3.44Å; I231-I234 VanDerWaalsContact O-N 3.09Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 2.8Å; I234-S237 CarbonylContact O-C 3.56Å; I234-S237 WeakPolarHBondContact O-CA 3.04Å; I234-S237 WeakPolarHBondContact O-CB 3.42Å; I234-S237 PolarHBondContact O-N 2.8Å; I234-I238 HydrophobicContact CG2-CD1 3.92Å; I234-I238 HydrophobicContact CG2-CG1 4.25Å; I234-I238 WeakPolarHBondContact O-CG1 3.34Å; I234-I238 PolarHBondContact O-N 3.19Å; I234-V270 HydrophobicContact CB-CG1 4.28Å; I234-V270 HydrophobicContact CD1-CG1 3.83Å; I234-V270 HydrophobicContact CG1-CG1 3.86Å; I234-V270 HydrophobicContact CG2-CG1 3.46Å; I234-V270 VanDerWaalsContact CG2-CG1 3.46Å; I234-M302 HydrophobicContact CD1-CE 3.66Å; I234-M302 HydrophobicContact CD1-SD 3.14Å; I234-M302 WeakPolarHBondContact CD1-SD 3.35Å; I234-M302 HydrophobicContact CG1-CE 3.95Å; I234-M302 HydrophobicContact CG1-SD 3.8Å
235	V	96	Very high	92.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-44.7	-175.3	176.3	0	0	0	0	109.9	C20 Y24 F138 F169 I231 G232 S237 I238 T239	C20-V235 HydrophobicContact CB-CG1 4.48Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.48Å; F138-V235 HydrophobicContact CE1-CB 4.48Å; F138-V235 HydrophobicContact CE1-CG1 3.87Å; F138-V235 HydrophobicContact CE1-CG2 3.74Å; F138-V235 HydrophobicContact CZ-CG1 3.81Å; F138-V235 HydrophobicContact CZ-CG2 4.49Å; F169-V235 HydrophobicContact CD1-CG2 3.61Å; F169-V235 HydrophobicContact CE1-CB 4.22Å; F169-V235 HydrophobicContact CE1-CG1 4.44Å; F169-V235 HydrophobicContact CE1-CG2 3.55Å; F169-V235 HydrophobicContact CG-CG2 4.19Å; F169-V235 HydrophobicContact CZ-CB 4.45Å; F169-V235 HydrophobicContact CZ-CG1 4.21Å; F169-V235 HydrophobicContact CZ-CG2 4.13Å; I231-V235 HydrophobicContact CG2-CG2 4.07Å; I231-V235 VanDerWaalsContact O-CG2 3.24Å; I231-V235 WeakPolarHBondContact O-CG2 3.07Å; I231-V235 PolarHBondContact O-N 3.11Å; G232-V235 PolarHBondContact O-N 3.28Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 2.86Å; V235-I238 PolarHBondContact O-N 3.36Å; V235-T239 WeakPolarHBondContact O-CG2 3.45Å; V235-T239 PolarHBondContact O-N 2.85Å; V235-T239 PolarHBondContact O-OG1 3.49Å
236	S	95.1	Very high	92	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-38.1	173.9	172.8	0	0	0	0	113.1	L23 E27 G232 I234 A240 R243 R320	L23-S236 VanDerWaalsContact CD2-CB 3.47Å; E27-S236 PolarHBondContact OE1-OG 2.9Å; E27-S236 PolarHBondContact OE2-OG 3.48Å; E27-S236 VanDerWaalsContact OE2-OG 3.04Å; G232-S236 WeakPolarHBondContact O-CB 3.5Å; G232-S236 PolarHBondContact O-N 3.13Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 2.8Å; S236-A240 WeakPolarHBondContact O-CA 2.97Å; S236-A240 WeakPolarHBondContact O-CB 3.14Å; S236-A240 PolarHBondContact O-N 2.79Å; S236-R243 PolarHBondContact O-NH2 2.79Å; S236-R243 PolarHBondContact OG-NH2 3.47Å; S236-R320 PolarHBondContact O-NH1 3.17Å
237	S	94.6	Very high	91.1	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-70.4	-39.9	178.3	-58.3	0	0	0	0	112.3	Q233 I234 V235 A240 Y272 C376	Q233-S237 WeakPolarHBondContact O-CB 3.45Å; Q233-S237 PolarHBondContact O-N 3.24Å; Q233-S237 PolarHBondContact O-OG 3.48Å; I234-S237 CarbonylContact O-C 3.56Å; I234-S237 WeakPolarHBondContact O-CA 3.04Å; I234-S237 WeakPolarHBondContact O-CB 3.42Å; I234-S237 PolarHBondContact O-N 2.8Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 2.86Å; S237-A240 VanDerWaalsContact O-CB 3.28Å; S237-A240 WeakPolarHBondContact O-CB 3.43Å; S237-A240 PolarHBondContact O-N 3.26Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.39Å; S237-C376 VanDerWaalsContact CB-CB 3.45Å
238	I	93.1	Very high	89.8	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-65.9	-41.9	176	-61.9	-171.3	0	0	0	110.8	F169 F202 I234 V235 A240 F255 L318 L378	F169-I238 HydrophobicContact CE1-CD1 3.67Å; F169-I238 HydrophobicContact CZ-CB 4.33Å; F169-I238 HydrophobicContact CZ-CD1 4.06Å; F169-I238 HydrophobicContact CZ-CG2 4.22Å; F202-I238 HydrophobicContact CD1-CD1 4.15Å; F202-I238 HydrophobicContact CD2-CD1 3.87Å; F202-I238 HydrophobicContact CE1-CD1 4.25Å; F202-I238 HydrophobicContact CE2-CD1 3.95Å; F202-I238 HydrophobicContact CE2-CG2 4.12Å; F202-I238 HydrophobicContact CG-CD1 3.97Å; F202-I238 HydrophobicContact CZ-CD1 4.14Å; F202-I238 HydrophobicContact CZ-CG2 4.32Å; I234-I238 HydrophobicContact CG2-CD1 3.92Å; I234-I238 HydrophobicContact CG2-CG1 4.25Å; I234-I238 WeakPolarHBondContact O-CG1 3.34Å; I234-I238 PolarHBondContact O-N 3.19Å; V235-I238 PolarHBondContact O-N 3.36Å; I238-A240 VanDerWaalsContact C-N 3.33Å; I238-F255 HydrophobicContact CG2-CD2 4.47Å; I238-F255 HydrophobicContact CG2-CE1 4.32Å; I238-F255 HydrophobicContact CG2-CE2 3.75Å; I238-F255 HydrophobicContact CG2-CZ 3.67Å; I238-L318 HydrophobicContact CB-CD1 4.44Å; I238-L318 HydrophobicContact CG1-CD1 4.08Å; I238-L378 HydrophobicContact CD1-CD1 3.9Å; I238-L378 HydrophobicContact CD1-CD2 3.5Å; I238-L378 HydrophobicContact CD1-CG 4.29Å; I238-L378 HydrophobicContact CG1-CD1 4.06Å; I238-L378 HydrophobicContact CG1-CD2 4.09Å
239	T	93.1	Very high	88.4	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-87.2	-2.4	-178.2	66.4	0	0	0	0	113.9	Y24 F52 L136 V235 S241 L242 R243	Y24-T239 WeakPolarHBondContact OH-CB 3.29Å; Y24-T239 VanDerWaalsContact OH-CG2 3.27Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.3Å; Y24-T239 PolarHBondContact OH-OG1 3.17Å; F52-T239 HydrophobicContact CE2-CG2 4.29Å; F52-T239 HydrophobicContact CZ-CG2 3.68Å; L136-T239 HydrophobicContact CD1-CG2 3.69Å; V235-T239 WeakPolarHBondContact O-CG2 3.45Å; V235-T239 PolarHBondContact O-N 2.85Å; V235-T239 PolarHBondContact O-OG1 3.49Å; T239-S241 VanDerWaalsContact C-N 3.33Å; T239-S241 PolarHBondContact O-N 3.23Å; T239-L242 WeakPolarHBondContact O-CB 3.32Å; T239-L242 PolarHBondContact O-N 3.11Å; T239-L242 VanDerWaalsContact O-N 3.08Å; T239-R243 WeakPolarHBondContact O-CG 3.35Å; T239-R243 PolarHBondContact O-N 3.46Å; T239-R243 PolarHBondContact O-NE 2.85Å; T239-R243 PolarHBondContact OG1-NE 2.85Å; T239-R243 VanDerWaalsContact OG1-NE 3.09Å
240	A	92.4	Very high	87.3	Confident	2 Å²	2	20.7 Å²	20.7	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-54.7	-46.3	-177.1	0	0	0	0	0	112.8	S236 S237 I238 L242 R243 F244 N356	S236-A240 WeakPolarHBondContact O-CA 2.97Å; S236-A240 WeakPolarHBondContact O-CB 3.14Å; S236-A240 PolarHBondContact O-N 2.79Å; S237-A240 VanDerWaalsContact O-CB 3.28Å; S237-A240 WeakPolarHBondContact O-CB 3.43Å; S237-A240 PolarHBondContact O-N 3.26Å; I238-A240 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 3.32Å; A240-R243 CarbonylContact O-C 3.45Å; A240-R243 PolarHBondContact O-N 3.37Å; A240-F244 PolarHBondContact O-N 3.08Å; A240-N356 HydrophobicContact CB-CB 4.26Å; A240-N356 PolarHBondContact O-ND2 3.38Å
241	S	88.8	Confident	86.6	Confident	13 Å²	13	22.3 Å²	22.3	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-67.7	-15.5	-178.2	52.7	0	0	0	0	113.8	T239 N249 V250	T239-S241 VanDerWaalsContact C-N 3.33Å; T239-S241 PolarHBondContact O-N 3.23Å; S241-N249 PolarHBondContact O-ND2 2.96Å; S241-V250 WeakPolarHBondContact CB-O 3.16Å; S241-V250 PolarHBondContact OG-O 2.84Å
242	L	88.4	Confident	86	Confident	11 Å²	11	22.2 Å²	22.2	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-90.9	-15.2	175	-50.2	175.2	0	0	0	112.3	V4 T51 F52 T239 A240 L252	V4-L242 HydrophobicContact CG2-CD1 4.26Å; T51-L242 HydrophobicContact CG2-CB 4Å; T51-L242 PolarHBondContact OG1-O 3.46Å; F52-L242 HydrophobicContact CE2-CB 4.49Å; F52-L242 HydrophobicContact CZ-CD1 4.39Å; T239-L242 WeakPolarHBondContact O-CB 3.32Å; T239-L242 PolarHBondContact O-N 3.11Å; T239-L242 VanDerWaalsContact O-N 3.08Å; A240-L242 PolarHBondContact O-N 3.32Å; L242-L252 HydrophobicContact CD1-CD2 3.59Å; L242-L252 HydrophobicContact CD1-CG 4.03Å
243	R	89.9	Confident	85.3	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-123.4	-13.5	-169.4	-65.2	-176.2	-58.9	115.9	-3.8	114.4	E27 H28 S48 F52 S236 T239 A240	E27-R243 IonicContact OE2-CZ 2.64Å; E27-R243 IonicContact OE2-NH1 2.82Å; E27-R243 PolarHBondContact OE2-NH1 3.24Å; E27-R243 IonicContact OE2-NH2 3.62Å; E27-R243 PolarHBondContact OE2-NH2 2.92Å; H28-R243 PolarHBondContact NE2-NH1 3.45Å; H28-R243 VanDerWaalsContact NE2-NH1 3.15Å; S48-R243 WeakPolarHBondContact CB-O 3.42Å; S48-R243 PolarHBondContact OG-O 2.72Å; F52-R243 HydrophobicContact CD2-CG 3.48Å; F52-R243 VanDerWaalsContact CD2-CG 3.48Å; F52-R243 VanDerWaalsContact CE2-CD 3.47Å; F52-R243 HydrophobicContact CE2-CG 3.5Å; S236-R243 PolarHBondContact O-NH2 2.79Å; S236-R243 PolarHBondContact OG-NH2 3.47Å; T239-R243 WeakPolarHBondContact O-CG 3.35Å; T239-R243 PolarHBondContact O-N 3.46Å; T239-R243 PolarHBondContact O-NE 2.85Å; T239-R243 PolarHBondContact OG1-NE 2.85Å; T239-R243 VanDerWaalsContact OG1-NE 3.09Å; A240-R243 CarbonylContact O-C 3.45Å; A240-R243 PolarHBondContact O-N 3.37Å
244	F	88.3	Confident	84.8	Confident	24 Å²	24	27.4 Å²	27.4	11%	0.105	16%	0.156	C	C	.	.	S	Bend	trans	-143.8	154.6	176.2	-50.5	-72.7	0	0	0	110	E27 H28 A240 N249 N356 Q358	E27-F244 HydrophobicContact CB-CZ 3.92Å; H28-F244 AromaticContact CE1-CE1 3.41Å; H28-F244 VanDerWaalsContact CE1-CE1 3.41Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.32Å; H28-F244 AromaticContact CE1-CZ 3.45Å; H28-F244 VanDerWaalsContact CE1-CZ 3.45Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.49Å; H28-F244 AromaticContact ND1-CE1 3.68Å; H28-F244 AromaticContact ND1-CZ 3.94Å; H28-F244 AromaticContact NE2-CZ 3.83Å; A240-F244 PolarHBondContact O-N 3.08Å; F244-N249 PolarHBondContact O-ND2 2.83Å; F244-N356 PolarHBondContact O-ND2 2.89Å; F244-Q358 HydrophobicContact CD2-CB 4.25Å; F244-Q358 HydrophobicContact CD2-CG 4.4Å; F244-Q358 HydrophobicContact CE2-CG 4.43Å; F244-Q358 HydrophobicContact CG-CB 4.25Å
245	D	78.9	Confident	84.4	Confident	145 Å²	145	27.3 Å²	27.3	78%	0.775	16%	0.156	S	C	*	.			trans	-64.9	144.1	173.2	-69.2	-32.1	0	0	0	111.2
246	G	77.1	Confident	84	Confident	24 Å²	24	30.3 Å²	30.3	25%	0.247	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	167.7	-177.7	0	0	0	0	0	111.1	N249 I355	G246-N249 WeakPolarHBondContact CA-OD1 3.4Å; G246-N249 PolarHBondContact N-ND2 2.77Å; G246-I355 CarbonylContact C-O 3.46Å; G246-I355 WeakPolarHBondContact CA-O 3.37Å
247	A	72.8	Confident	83.7	Confident	28 Å²	28	35.3 Å²	35.3	23%	0.231	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.2	166.8	0	0	0	0	0	108.8	I355	A247-I355 PolarHBondContact N-O 3.38Å; A247-I355 PolarHBondContact O-N 3.16Å; A247-I355 VanDerWaalsContact O-O 3.05Å
248	L	67.9	Low	83.4	Confident	111 Å²	111	37.5 Å²	37.5	58%	0.581	21%	0.212	S	C	*	.	S	Bend	trans	62	42.2	179.5	-48.8	165.8	0	0	0	112.4	V250 V353	L248-V250 PolarHBondContact O-N 3Å; L248-V353 VanDerWaalsContact CB-O 3.26Å; L248-V353 WeakPolarHBondContact CB-O 3.47Å; L248-V353 HydrophobicContact CD1-CB 4.36Å; L248-V353 HydrophobicContact CD1-CG1 4.41Å; L248-V353 WeakPolarHBondContact CD1-O 3.29Å
249	N	67.1	Low	83.3	Confident	47 Å²	47	37.4 Å²	37.4	25%	0.251	21%	0.212	S	C	.	.			trans	-59.3	127.5	177.4	-84.2	-6.9	0	0	0	111.2	S241 F244 G246	S241-N249 PolarHBondContact O-ND2 2.96Å; F244-N249 PolarHBondContact O-ND2 2.83Å; G246-N249 WeakPolarHBondContact CA-OD1 3.4Å; G246-N249 PolarHBondContact N-ND2 2.77Å
250	V	71.5	Confident	83.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.			trans	-93.3	132.7	-179.1	-175.2	0	0	0	0	109.2	S241 L248 E254 F255 L318	S241-V250 WeakPolarHBondContact CB-O 3.16Å; S241-V250 PolarHBondContact OG-O 2.84Å; L248-V250 PolarHBondContact O-N 3Å; V250-E254 HydrophobicContact CG1-CB 3.61Å; V250-F255 HydrophobicContact CB-CZ 4.25Å; V250-F255 HydrophobicContact CG1-CD1 4.15Å; V250-F255 HydrophobicContact CG1-CD2 4.14Å; V250-F255 HydrophobicContact CG1-CE1 3.92Å; V250-F255 HydrophobicContact CG1-CE2 3.92Å; V250-F255 HydrophobicContact CG1-CG 4.25Å; V250-F255 HydrophobicContact CG1-CZ 3.8Å; V250-L318 HydrophobicContact CG2-CD2 4.37Å
251	D	79.7	Confident	83.2	Confident	35 Å²	35	40.6 Å²	40.6	19%	0.187	23%	0.232	C	C	.	.			trans	-90	174.3	168.6	74.4	22	0	0	0	112.3	T253 E254 F255	D251-T253 VanDerWaalsContact C-N 3.33Å; D251-T253 PolarHBondContact O-N 2.82Å; D251-T253 WeakPolarHBondContact OD1-CB 3.49Å; D251-T253 PolarHBondContact OD1-N 3.08Å; D251-T253 VanDerWaalsContact OD1-N 3.08Å; D251-E254 PolarHBondContact O-N 3.18Å; D251-E254 WeakPolarHBondContact OD1-CB 3.47Å; D251-E254 WeakPolarHBondContact OD1-CG 3.32Å; D251-E254 PolarHBondContact OD1-N 2.97Å; D251-F255 WeakPolarHBondContact O-CD2 3.45Å
252	L	82.8	Confident	83.4	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-39	-178.5	-66.7	-175.9	0	0	0	112.6	V4 Q133 L136 L167 L242 E254 F255	V4-L252 HydrophobicContact CG1-CD1 4.15Å; V4-L252 HydrophobicContact CG2-CD1 3.74Å; V4-L252 HydrophobicContact CG2-CG 4.47Å; Q133-L252 HydrophobicContact CB-CD1 3.97Å; L136-L252 HydrophobicContact CD2-CD2 4.05Å; L167-L252 HydrophobicContact CD1-CB 4.36Å; L167-L252 HydrophobicContact CD1-CD2 3.57Å; L167-L252 HydrophobicContact CD1-CG 4.48Å; L242-L252 HydrophobicContact CD1-CD2 3.59Å; L242-L252 HydrophobicContact CD1-CG 4.03Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.32Å; L252-F255 PolarHBondContact O-N 2.85Å
253	T	83.5	Confident	83.5	Confident	66 Å²	66	50.4 Å²	50.4	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-68.4	-31	-179.6	-47.1	0	0	0	0	111.8	D251 F255 Q256 T257	D251-T253 VanDerWaalsContact C-N 3.33Å; D251-T253 PolarHBondContact O-N 2.82Å; D251-T253 WeakPolarHBondContact OD1-CB 3.49Å; D251-T253 PolarHBondContact OD1-N 3.08Å; D251-T253 VanDerWaalsContact OD1-N 3.08Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.31Å; T253-Q256 WeakPolarHBondContact O-CB 3.2Å; T253-Q256 PolarHBondContact O-N 3.28Å; T253-T257 PolarHBondContact O-N 2.66Å; T253-T257 PolarHBondContact O-OG1 3.2Å
254	E	85.2	Confident	83.7	Confident	55 Å²	55	53.8 Å²	53.8	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-29.6	175.3	-84.2	-166.2	-128.9	0	0	111.9	V250 D251 L252 T257 N258 K352	V250-E254 HydrophobicContact CG1-CB 3.61Å; D251-E254 PolarHBondContact O-N 3.18Å; D251-E254 WeakPolarHBondContact OD1-CB 3.47Å; D251-E254 WeakPolarHBondContact OD1-CG 3.32Å; D251-E254 PolarHBondContact OD1-N 2.97Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.32Å; E254-T257 PolarHBondContact O-N 3.39Å; E254-N258 WeakPolarHBondContact O-CB 3.38Å; E254-N258 PolarHBondContact O-N 3.48Å; E254-N258 PolarHBondContact O-ND2 2.81Å; E254-K352 WeakPolarHBondContact OE2-CE 3.46Å; E254-K352 IonicContact OE2-NZ 3.86Å; E254-K352 PolarHBondContact OE2-NZ 3.4Å
255	F	86.8	Confident	84	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-47.2	172.7	-74.4	-64.7	0	0	0	111.1	L167 F202 I238 V250 D251 L252 T253 N258 L259 L318 L378	L167-F255 HydrophobicContact CD1-CD2 4.17Å; F202-F255 HydrophobicContact CZ-CB 4.4Å; F202-F255 HydrophobicContact CZ-CD1 4.35Å; F202-F255 HydrophobicContact CZ-CG 4.26Å; I238-F255 HydrophobicContact CG2-CD2 4.47Å; I238-F255 HydrophobicContact CG2-CE1 4.32Å; I238-F255 HydrophobicContact CG2-CE2 3.75Å; I238-F255 HydrophobicContact CG2-CZ 3.67Å; V250-F255 HydrophobicContact CB-CZ 4.25Å; V250-F255 HydrophobicContact CG1-CD1 4.15Å; V250-F255 HydrophobicContact CG1-CD2 4.14Å; V250-F255 HydrophobicContact CG1-CE1 3.92Å; V250-F255 HydrophobicContact CG1-CE2 3.92Å; V250-F255 HydrophobicContact CG1-CG 4.25Å; V250-F255 HydrophobicContact CG1-CZ 3.8Å; D251-F255 WeakPolarHBondContact O-CD2 3.45Å; L252-F255 PolarHBondContact O-N 2.85Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.31Å; F255-N258 PolarHBondContact O-N 3.18Å; F255-L259 HydrophobicContact CB-CD1 4.48Å; F255-L259 HydrophobicContact CD1-CD1 3.93Å; F255-L259 WeakPolarHBondContact O-CB 3.42Å; F255-L259 PolarHBondContact O-N 2.94Å; F255-L318 HydrophobicContact CE1-CD1 4.06Å; F255-L318 HydrophobicContact CE1-CD2 4.39Å; F255-L318 HydrophobicContact CZ-CD1 4.12Å; F255-L378 HydrophobicContact CD1-CD1 3.85Å; F255-L378 HydrophobicContact CE1-CD1 3.55Å; F255-L378 HydrophobicContact CZ-CD1 4.48Å
256	Q	87.2	Confident	84.8	Confident	62 Å²	62	45.9 Å²	45.9	29%	0.29	25%	0.253	S	S	.	.	H	α-helix	trans	-57.6	-54.5	174	-178.4	-179.8	28.3	0	0	110.8	D199 T253 N258 L259 V260	D199-Q256 HydrophobicContact CB-CG 4.38Å; D199-Q256 PolarHBondContact OD1-NE2 2.76Å; T253-Q256 WeakPolarHBondContact O-CB 3.2Å; T253-Q256 PolarHBondContact O-N 3.28Å; Q256-N258 VanDerWaalsContact C-N 3.3Å; Q256-N258 PolarHBondContact O-N 2.83Å; Q256-L259 PolarHBondContact O-N 2.83Å; Q256-V260 WeakPolarHBondContact O-CA 3.39Å; Q256-V260 WeakPolarHBondContact O-CB 3.23Å; Q256-V260 PolarHBondContact O-N 3.33Å
257	T	88.2	Confident	85.8	Confident	106 Å²	106	44.8 Å²	44.8	65%	0.65	24%	0.241	S	C	*	.	H	α-helix	trans	-62.6	-34.9	-175.9	-51.8	0	0	0	0	113.1	T253 E254	T253-T257 PolarHBondContact O-N 2.66Å; T253-T257 PolarHBondContact O-OG1 3.2Å; E254-T257 PolarHBondContact O-N 3.39Å
258	N	88.2	Confident	86.9	Confident	50 Å²	50	43.4 Å²	43.4	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-91.1	-26.7	-175.2	-63.6	-47.1	0	0	0	113.5	E254 F255 Q256 A314 K352	E254-N258 WeakPolarHBondContact O-CB 3.38Å; E254-N258 PolarHBondContact O-N 3.48Å; E254-N258 PolarHBondContact O-ND2 2.81Å; F255-N258 PolarHBondContact O-N 3.18Å; Q256-N258 VanDerWaalsContact C-N 3.3Å; Q256-N258 PolarHBondContact O-N 2.83Å; N258-A314 VanDerWaalsContact O-CB 3.28Å; N258-A314 WeakPolarHBondContact O-CB 3.33Å; N258-K352 HydrophobicContact CB-CG 4.46Å
259	L	91.1	Very high	88.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-107.2	-21.7	-175	-66.4	170.5	0	0	0	113.6	F202 F255 Q256 P261 P268 A314 C316 L378 N380	F202-L259 HydrophobicContact CE1-CD1 4.07Å; F255-L259 HydrophobicContact CB-CD1 4.48Å; F255-L259 HydrophobicContact CD1-CD1 3.93Å; F255-L259 WeakPolarHBondContact O-CB 3.42Å; F255-L259 PolarHBondContact O-N 2.94Å; Q256-L259 PolarHBondContact O-N 2.83Å; L259-P261 VanDerWaalsContact O-CD 3.28Å; L259-P261 WeakPolarHBondContact O-CD 3.49Å; L259-P268 HydrophobicContact CB-CG 4.06Å; L259-P268 HydrophobicContact CD1-CB 4.49Å; L259-P268 HydrophobicContact CD1-CG 4.09Å; L259-A314 HydrophobicContact CD2-CB 4.2Å; L259-C316 HydrophobicContact CD1-CB 4.48Å; L259-C316 HydrophobicContact CD2-CB 3.79Å; L259-C316 HydrophobicContact CG-CB 4.35Å; L259-L378 HydrophobicContact CD1-CB 3.82Å; L259-L378 HydrophobicContact CD1-CD1 3.97Å; L259-L378 HydrophobicContact CD2-CB 4.26Å; L259-N380 VanDerWaalsContact O-CB 3.24Å; L259-N380 WeakPolarHBondContact O-CB 3.35Å; L259-N380 PolarHBondContact O-ND2 3.33Å
260	V	92.8	Very high	89.5	Confident	20 Å²	20	35.9 Å²	35.9	12%	0.121	19%	0.19	C	C	.	.			trans	-112.8	95.8	-169.8	-176.1	0	0	0	0	109.6	C200 Q256 Y262 H266	C200-V260 HydrophobicContact CB-CG2 4.43Å; Q256-V260 WeakPolarHBondContact O-CA 3.39Å; Q256-V260 WeakPolarHBondContact O-CB 3.23Å; Q256-V260 PolarHBondContact O-N 3.33Å; V260-Y262 WeakPolarHBondContact CG1-O 3.4Å; V260-H266 HydrophobicContact CB-CB 4.44Å; V260-H266 HydrophobicContact CG1-CB 3.69Å; V260-H266 HydrophobicContact CG2-CB 3.84Å
261	P	90.9	Very high	90.7	Very high	49 Å²	49	35.9 Å²	35.9	32%	0.318	19%	0.19	S	C	.	.	S	Bend	trans	-70.9	-34.2	179.6	28	-33.9	0	0	0	112.4	L259 I265 M313 W346	L259-P261 VanDerWaalsContact O-CD 3.28Å; L259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-I265 HydrophobicContact CG-CG2 4.36Å; P261-M313 HydrophobicContact CG-CB 4.42Å; P261-M313 HydrophobicContact CG-SD 4.05Å; P261-W346 HydrophobicContact CB-CH2 3.74Å; P261-W346 HydrophobicContact CB-CZ3 4.25Å; P261-W346 HydrophobicContact CG-CH2 4.08Å
262	Y	92.3	Very high	91.6	Very high	121 Å²	121	34.6 Å²	34.6	48%	0.475	18%	0.183	S	C	.	.	S	Bend	trans	-132.2	140.2	178.2	-58.9	-80.1	0	0	0	109.3	V260 R264 I265 V435	V260-Y262 WeakPolarHBondContact CG1-O 3.4Å; Y262-R264 PolarHBondContact O-N 3.36Å; Y262-R264 VanDerWaalsContact O-N 3.09Å; Y262-I265 HydrophobicContact CD2-CD1 3.9Å; Y262-I265 HydrophobicContact CG-CD1 4.45Å; Y262-I265 CarbonylContact O-C 3.25Å; Y262-I265 PolarHBondContact O-N 3.41Å; Y262-V435 HydrophobicContact CD2-CG2 4.04Å; Y262-V435 HydrophobicContact CE2-CG2 3.71Å
263	P	92	Very high	92.2	Very high	109 Å²	109	34.5 Å²	34.5	71%	0.708	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.9	-175.2	-30.1	35.9	0	0	0	114.8	H266	P263-H266 PolarHBondContact O-ND1 2.78Å
264	R	94.3	Very high	92.8	Very high	74 Å²	74	31.6 Å²	31.6	28%	0.279	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.8	178	-68.5	174.6	61.8	90.8	2.7	113.5	L195 Y262 H266 D424 L428 D431	L195-R264 HydrophobicContact CD2-CG 4.26Å; L195-R264 VanDerWaalsContact CD2-CZ 3.43Å; L195-R264 HydrophobicContact CG-CG 4.47Å; Y262-R264 PolarHBondContact O-N 3.36Å; Y262-R264 VanDerWaalsContact O-N 3.09Å; R264-H266 PolarHBondContact O-N 3.05Å; R264-D424 IonicContact CZ-OD1 3.2Å; R264-D424 VanDerWaalsContact CZ-OD1 3.22Å; R264-D424 IonicContact NH1-OD1 3.66Å; R264-D424 PolarHBondContact NH1-OD1 3.41Å; R264-D424 PolarHBondContact NH2-O 3.01Å; R264-D424 IonicContact NH2-OD1 2.67Å; R264-D424 PolarHBondContact NH2-OD1 3.31Å; R264-L428 HydrophobicContact CB-CD1 4.09Å; R264-L428 VanDerWaalsContact O-CD1 3.25Å; R264-L428 WeakPolarHBondContact O-CD1 3.47Å; R264-D431 IonicContact CZ-OD2 3.54Å; R264-D431 IonicContact NE-OD2 3.94Å; R264-D431 PolarHBondContact NE-OD2 3.03Å; R264-D431 IonicContact NH2-OD2 2.85Å
265	I	94.8	Very high	93.2	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	16%	0.155	C	C	.	.			trans	-96	65.2	-177.1	-64.5	167.9	0	0	0	109.2	P261 Y262 M313 N380 D431 Y432 V435	P261-I265 HydrophobicContact CG-CG2 4.36Å; Y262-I265 HydrophobicContact CD2-CD1 3.9Å; Y262-I265 HydrophobicContact CG-CD1 4.45Å; Y262-I265 CarbonylContact O-C 3.25Å; Y262-I265 PolarHBondContact O-N 3.41Å; I265-M313 HydrophobicContact CG2-CE 3.65Å; I265-M313 HydrophobicContact CG2-SD 3.86Å; I265-N380 PolarHBondContact O-ND2 3.33Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.33Å; I265-Y432 HydrophobicContact CB-CE1 4.27Å; I265-Y432 HydrophobicContact CG1-CD1 4.47Å; I265-Y432 HydrophobicContact CG1-CE1 4.3Å; I265-Y432 HydrophobicContact CG1-CE2 4.28Å; I265-Y432 HydrophobicContact CG2-CD1 3.98Å; I265-Y432 HydrophobicContact CG2-CE1 3.3Å; I265-Y432 HydrophobicContact CG2-CE2 4.48Å; I265-V435 HydrophobicContact CD1-CB 4.38Å; I265-V435 HydrophobicContact CD1-CG2 3.67Å
266	H	95.5	Very high	93.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.			trans	-117.4	28.6	-172.3	65.5	-103.9	0	0	0	114.3	L195 A201 V260 P263 R264 P268	L195-H266 PolarHBondContact O-CE1 2.82Å; A201-H266 PolarHBondContact N-O 2.54Å; V260-H266 HydrophobicContact CB-CB 4.44Å; V260-H266 HydrophobicContact CG1-CB 3.69Å; V260-H266 HydrophobicContact CG2-CB 3.84Å; P263-H266 PolarHBondContact O-ND1 2.78Å; R264-H266 PolarHBondContact O-N 3.05Å; H266-P268 WeakPolarHBondContact O-CD 3.4Å
267	F	96.5	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.			trans	-111.4	68.5	-175.8	-58.7	-87.4	0	0	0	113.6	F141 T191 L195 A201 M203 I384 W388 L428	F141-F267 HydrophobicContact CZ-CE1 4.45Å; T191-F267 HydrophobicContact CG2-CZ 3.99Å; L195-F267 HydrophobicContact CD1-CE2 3.81Å; L195-F267 HydrophobicContact CD1-CZ 3.9Å; A201-F267 HydrophobicContact CB-CD1 3.74Å; A201-F267 HydrophobicContact CB-CE1 3.96Å; A201-F267 WeakPolarHBondContact O-CA 3.23Å; M203-F267 HydrophobicContact CE-CD1 4.22Å; M203-F267 HydrophobicContact CG-CB 4.03Å; M203-F267 HydrophobicContact CG-CD1 4.17Å; M203-F267 HydrophobicContact SD-CD1 3.8Å; F267-I384 HydrophobicContact CB-CG1 4.5Å; F267-W388 HydrophobicContact CB-CH2 4.17Å; F267-W388 HydrophobicContact CB-CZ2 3.77Å; F267-W388 AromaticContact CD1-CH2 3.69Å; F267-W388 HydrophobicContact CD1-CH2 3.69Å; F267-W388 HydrophobicContact CD1-CZ2 4.04Å; F267-W388 HydrophobicContact CD2-CH2 4.23Å; F267-W388 AromaticContact CD2-CZ2 3.81Å; F267-W388 HydrophobicContact CD2-CZ2 3.81Å; F267-W388 HydrophobicContact CE1-CH2 4.1Å; F267-W388 HydrophobicContact CE2-CZ2 4.41Å; F267-W388 AromaticContact CG-CH2 3.76Å; F267-W388 HydrophobicContact CG-CH2 3.76Å; F267-W388 AromaticContact CG-CZ2 3.59Å; F267-W388 HydrophobicContact CG-CZ2 3.59Å; F267-L428 HydrophobicContact CD2-CD2 4.34Å; F267-L428 HydrophobicContact CE2-CD2 3.76Å; F267-L428 HydrophobicContact CZ-CD2 4.47Å
268	P	95.6	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.			trans	-61	140	176.2	-23.6	33.3	0	0	0	113.5	A201 F202 M203 L259 H266 S379	A201-P268 WeakPolarHBondContact O-CD 3.46Å; F202-P268 HydrophobicContact CD1-CB 4.31Å; F202-P268 HydrophobicContact CD1-CG 4.47Å; F202-P268 HydrophobicContact CE1-CG 4.44Å; M203-P268 PolarHBondContact N-O 3.28Å; L259-P268 HydrophobicContact CB-CG 4.06Å; L259-P268 HydrophobicContact CD1-CB 4.49Å; L259-P268 HydrophobicContact CD1-CG 4.09Å; H266-P268 WeakPolarHBondContact O-CD 3.4Å; P268-S379 WeakPolarHBondContact CA-O 3.26Å
269	L	95	Very high	92.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	151.5	165.3	-54.9	-174.5	0	0	0	110.7	V303 C305 L378 S379 T381 I384	L269-V303 HydrophobicContact CD2-CB 3.94Å; L269-V303 HydrophobicContact CD2-CG1 4.31Å; L269-V303 HydrophobicContact CD2-CG2 4.04Å; L269-C305 WeakPolarHBondContact CD1-SG 3.35Å; L269-L378 CarbonylContact O-C 2.94Å; L269-L378 WeakPolarHBondContact O-CA 3.44Å; L269-S379 PolarHBondContact N-O 2.85Å; L269-S379 PolarHBondContact O-N 3.42Å; L269-T381 HydrophobicContact CD1-CG2 3.25Å; L269-T381 HydrophobicContact CG-CG2 3.71Å; L269-I384 HydrophobicContact CD2-CB 4.35Å; L269-I384 HydrophobicContact CD2-CD1 3.6Å; L269-I384 HydrophobicContact CD2-CG1 4.37Å
270	V	96.1	Very high	92.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.6	176.5	-173.3	0	0	0	0	110.9	F202 V204 I234 M302 M377 L378	F202-V270 HydrophobicContact CB-CG2 4Å; V204-V270 HydrophobicContact CG1-CB 4.29Å; V204-V270 HydrophobicContact CG1-CG2 4.35Å; I234-V270 HydrophobicContact CB-CG1 4.28Å; I234-V270 HydrophobicContact CD1-CG1 3.83Å; I234-V270 HydrophobicContact CG1-CG1 3.86Å; I234-V270 HydrophobicContact CG2-CG1 3.46Å; I234-V270 VanDerWaalsContact CG2-CG1 3.46Å; V270-M302 HydrophobicContact CB-SD 4.2Å; V270-M302 HydrophobicContact CG1-SD 3.8Å; V270-M302 WeakPolarHBondContact O-CB 3.49Å; V270-M302 PolarHBondContact O-N 3.15Å; V270-M377 WeakPolarHBondContact CA-O 3.32Å; V270-L378 HydrophobicContact CB-CD2 4.46Å; V270-L378 HydrophobicContact CG1-CD2 4.15Å; V270-L378 HydrophobicContact CG2-CD2 3.89Å
271	T	97.1	Very high	91.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148	166	-57.7	0	0	0	0	110.5	C295 N300 Q301 C376 M377	T271-C295 HydrophobicContact CG2-CB 4.1Å; T271-C295 WeakPolarHBondContact CG2-O 3.24Å; T271-N300 HydrophobicContact CG2-CB 3.8Å; T271-N300 VanDerWaalsContact CG2-O 3.31Å; T271-N300 WeakPolarHBondContact CG2-O 3.4Å; T271-Q301 PolarHBondContact OG1-NE2 3.2Å; T271-Q301 PolarHBondContact OG1-OE1 2.97Å; T271-C376 CarbonylContact O-C 3.58Å; T271-C376 WeakPolarHBondContact O-CA 3.43Å; T271-M377 PolarHBondContact N-O 3.31Å; T271-M377 PolarHBondContact O-N 2.64Å
272	Y	96.9	Very high	91.2	Very high	8 Å²	8	40.7 Å²	40.7	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.1	176.4	-169.5	-95.4	0	0	0	111.1	L230 Q233 S237 V275 A374 L375 C376	L230-Y272 HydrophobicContact CD1-CD1 4.17Å; Q233-Y272 HydrophobicContact CB-CE1 4.27Å; Q233-Y272 HydrophobicContact CB-CE2 4.02Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.39Å; Y272-V275 HydrophobicContact CD1-CG2 4.08Å; Y272-A374 HydrophobicContact CE1-CB 4.26Å; Y272-A374 HydrophobicContact CE2-CB 4.22Å; Y272-A374 WeakPolarHBondContact OH-CB 3.47Å; Y272-L375 WeakPolarHBondContact CA-O 3.4Å; Y272-C376 HydrophobicContact CD2-CB 4.06Å
273	A	96.5	Very high	90.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.8	174.6	0	0	0	0	0	112.1	I291 Q294 C295 A374 L375	A273-I291 HydrophobicContact CB-CB 4.26Å; A273-I291 WeakPolarHBondContact CB-O 3.22Å; A273-Q294 HydrophobicContact CB-CB 3.71Å; A273-C295 VanDerWaalsContact CB-SG 3.6Å; A273-A374 CarbonylContact O-C 3.55Å; A273-A374 VanDerWaalsContact O-CA 3.26Å; A273-A374 WeakPolarHBondContact O-CA 3.27Å; A273-A374 WeakPolarHBondContact O-CB 3.32Å; A273-L375 PolarHBondContact N-O 3.17Å; A273-L375 PolarHBondContact O-N 2.8Å
274	P	95	Very high	89.9	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.032	20%	0.2	C	C	.	.			cis	-78.8	148.6	-5.8	33.9	-33.4	0	0	0	111.1	I276 L286 I291 V371	P274-I276 HydrophobicContact CB-CG2 4.35Å; P274-I276 HydrophobicContact CG-CG2 4.39Å; P274-L286 HydrophobicContact CB-CD2 3.7Å; P274-L286 HydrophobicContact CG-CD1 3.83Å; P274-L286 HydrophobicContact CG-CD2 3.85Å; P274-L286 HydrophobicContact CG-CG 4.38Å; P274-I291 HydrophobicContact CG-CG2 4.45Å; P274-V371 HydrophobicContact CG-CB 4.45Å; P274-V371 HydrophobicContact CG-CG1 4.02Å; P274-V371 HydrophobicContact CG-CG2 4.48Å
275	V	93.3	Very high	89.2	Confident	8 Å²	8	46.8 Å²	46.8	5%	0.048	23%	0.225	C	C	.	.			trans	-103.3	108.4	160.6	-177.7	0	0	0	0	106.1	I212 K216 I217 L230 Y272 L368	I212-V275 HydrophobicContact CG2-CB 4.11Å; I212-V275 HydrophobicContact CG2-CG1 3.78Å; I212-V275 HydrophobicContact CG2-CG2 4.05Å; K216-V275 HydrophobicContact CB-CB 4.2Å; K216-V275 HydrophobicContact CB-CG1 3.95Å; K216-V275 WeakPolarHBondContact CB-O 3Å; I217-V275 HydrophobicContact CD1-CG1 3.68Å; I217-V275 HydrophobicContact CG1-CG1 3.59Å; L230-V275 HydrophobicContact CD1-CG1 4.44Å; L230-V275 HydrophobicContact CD1-CG2 3.87Å; L230-V275 HydrophobicContact CD2-CG2 4.49Å; Y272-V275 HydrophobicContact CD1-CG2 4.08Å; V275-L368 HydrophobicContact CG1-CD2 4.02Å
276	I	91.3	Very high	89	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.036	23%	0.228	C	C	.	.			trans	-144.7	140.3	-173.6	-168.6	163.7	0	0	0	110.7	P274 K280 A281 E284 A369 V371	P274-I276 HydrophobicContact CB-CG2 4.35Å; P274-I276 HydrophobicContact CG-CG2 4.39Å; I276-K280 HydrophobicContact CD1-CB 3.88Å; I276-K280 HydrophobicContact CG1-CB 3.64Å; I276-A281 HydrophobicContact CD1-CB 4.43Å; I276-A281 HydrophobicContact CG2-CB 4.44Å; I276-E284 HydrophobicContact CD1-CB 4.15Å; I276-E284 HydrophobicContact CD1-CG 4.07Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.26Å; I276-A369 HydrophobicContact CG2-CB 3.95Å; I276-A369 PolarHBondContact O-N 3.39Å; I276-V371 HydrophobicContact CG2-CG1 3.97Å
277	S	88.1	Confident	88.9	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.063	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-71.7	154.8	174.4	64.8	0	0	0	0	111.7	E279 K280 A281	S277-E279 PolarHBondContact O-N 2.83Å; S277-E279 VanDerWaalsContact O-N 3.17Å; S277-K280 PolarHBondContact O-N 2.92Å; S277-K280 PolarHBondContact OG-N 3.43Å; S277-A281 PolarHBondContact O-N 3.41Å
278	A	82.5	Confident	88.9	Confident	52 Å²	52	50.1 Å²	50.1	43%	0.43	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.6	176.2	0	0	0	0	0	113.3
279	E	80.5	Confident	89	Confident	160 Å²	160	51.6 Å²	51.6	75%	0.748	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-40.5	-179.8	-61.1	-176.8	172.1	0	0	112.7	S277	S277-E279 PolarHBondContact O-N 2.83Å; S277-E279 VanDerWaalsContact O-N 3.17Å
280	K	83.5	Confident	89	Confident	66 Å²	66	54.7 Å²	54.7	29%	0.287	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-77.9	-25	-177.3	-73.8	179.2	178	162.5	0	113.5	D218 I276 S277 Y282 H283	D218-K280 IonicContact OD1-NZ 3.49Å; D218-K280 PolarHBondContact OD1-NZ 2.89Å; D218-K280 WeakPolarHBondContact OD2-CE 3.1Å; D218-K280 IonicContact OD2-NZ 3.36Å; D218-K280 PolarHBondContact OD2-NZ 3.12Å; I276-K280 HydrophobicContact CD1-CB 3.88Å; I276-K280 HydrophobicContact CG1-CB 3.64Å; S277-K280 PolarHBondContact O-N 2.92Å; S277-K280 PolarHBondContact OG-N 3.43Å; K280-Y282 PolarHBondContact O-N 3.48Å; K280-H283 PolarHBondContact O-N 2.93Å
281	A	81.6	Confident	89	Confident	26 Å²	26	54.7 Å²	54.7	22%	0.215	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27	-173.1	0	0	0	0	0	114.9	I276 S277 H283 A369	I276-A281 HydrophobicContact CD1-CB 4.43Å; I276-A281 HydrophobicContact CG2-CB 4.44Å; S277-A281 PolarHBondContact O-N 3.41Å; A281-H283 VanDerWaalsContact C-N 3.27Å; A281-H283 PolarHBondContact O-N 2.75Å; A281-A369 HydrophobicContact CB-CB 3.39Å
282	Y	77	Confident	89	Confident	206 Å²	206	54.7 Å²	54.7	81%	0.808	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-73.5	-15.2	178.2	-64.2	-77.2	0	0	0	114.3	K280	K280-Y282 PolarHBondContact O-N 3.48Å
283	H	78.2	Confident	89	Confident	167 Å²	167	56.7 Å²	56.7	77%	0.773	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-7.8	-172.7	-65.9	-62.2	0	0	0	114.1	K280 A281	K280-H283 PolarHBondContact O-N 2.93Å; A281-H283 VanDerWaalsContact C-N 3.27Å; A281-H283 PolarHBondContact O-N 2.75Å
284	E	79.5	Confident	89	Confident	95 Å²	95	58.5 Å²	58.5	44%	0.444	29%	0.294	S	S	.	.			trans	-112.7	134.4	-175.5	-66.3	-168	-170	0	0	112.2	I276 L286	I276-E284 HydrophobicContact CD1-CB 4.15Å; I276-E284 HydrophobicContact CD1-CG 4.07Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.26Å; E284-L286 HydrophobicContact CB-CD2 4.47Å
285	Q	79.2	Confident	89.1	Confident	170 Å²	170	58.3 Å²	58.3	79%	0.794	29%	0.292	S	S	*	.			trans	-85.1	121.1	164	-72.3	-170.5	-1.8	0	0	108.8	T287	Q285-T287 PolarHBondContact O-N 3.09Å
286	L	89.1	Confident	89.2	Confident	16 Å²	16	58.5 Å²	58.5	8%	0.084	29%	0.292	C	S	.	.			trans	-101	72	-176.9	-63.5	169.1	0	0	0	109.6	P274 E284 I291 V371 R373	P274-L286 HydrophobicContact CB-CD2 3.7Å; P274-L286 HydrophobicContact CG-CD1 3.83Å; P274-L286 HydrophobicContact CG-CD2 3.85Å; P274-L286 HydrophobicContact CG-CG 4.38Å; E284-L286 HydrophobicContact CB-CD2 4.47Å; L286-I291 HydrophobicContact CB-CG2 4.5Å; L286-V371 HydrophobicContact CD1-CB 4.26Å; L286-V371 HydrophobicContact CD1-CG1 3.83Å; L286-R373 VanDerWaalsContact O-CD 3.27Å; L286-R373 WeakPolarHBondContact O-CD 3.4Å; L286-R373 PolarHBondContact O-NH1 3.39Å
287	T	95.2	Very high	89.3	Confident	50 Å²	50	61.3 Å²	61.3	31%	0.307	31%	0.308	S	S	.	.			trans	-71.1	159.9	179	75.9	0	0	0	0	111.4	Q285 A289 D290 I291	Q285-T287 PolarHBondContact O-N 3.09Å; T287-A289 PolarHBondContact O-N 3.14Å; T287-A289 PolarHBondContact OG1-N 3.5Å; T287-D290 WeakPolarHBondContact CB-OD2 3.49Å; T287-D290 WeakPolarHBondContact CG2-OD2 3.43Å; T287-D290 PolarHBondContact N-OD2 2.82Å; T287-D290 PolarHBondContact O-N 2.87Å; T287-D290 VanDerWaalsContact O-N 3.1Å; T287-D290 PolarHBondContact OG1-N 2.76Å; T287-D290 VanDerWaalsContact OG1-N 3.1Å; T287-D290 PolarHBondContact OG1-OD2 2.93Å; T287-I291 PolarHBondContact O-N 2.67Å
288	V	96.7	Very high	89.6	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-55.4	-43.8	173.6	177.5	0	0	0	0	110.2	D290 I291 T292 Y319 V323 D327 V328 A331	V288-D290 VanDerWaalsContact C-N 3.34Å; V288-D290 PolarHBondContact O-N 2.85Å; V288-I291 VanDerWaalsContact O-CG1 3.22Å; V288-I291 WeakPolarHBondContact O-CG1 3.45Å; V288-I291 PolarHBondContact O-N 3.17Å; V288-T292 WeakPolarHBondContact O-CB 3.17Å; V288-T292 PolarHBondContact O-N 3.45Å; V288-T292 PolarHBondContact O-OG1 2.94Å; V288-Y319 HydrophobicContact CG1-CD1 4.48Å; V288-Y319 HydrophobicContact CG1-CE1 3.82Å; V288-V323 HydrophobicContact CG1-CG1 4.34Å; V288-V323 HydrophobicContact CG2-CB 4.47Å; V288-V323 HydrophobicContact CG2-CG1 3.98Å; V288-V323 HydrophobicContact CG2-CG2 4.22Å; V288-D327 HydrophobicContact CB-CB 3.99Å; V288-D327 HydrophobicContact CG1-CB 4.2Å; V288-D327 HydrophobicContact CG2-CB 4.04Å; V288-V328 HydrophobicContact CG1-CG2 3.99Å; V288-A331 HydrophobicContact CG1-CB 4.4Å
289	A	96.6	Very high	90.1	Very high	31 Å²	31	62.1 Å²	62.1	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.9	0	0	0	0	0	112.5	T287 N293 A331	T287-A289 PolarHBondContact O-N 3.14Å; T287-A289 PolarHBondContact OG1-N 3.5Å; A289-N293 WeakPolarHBondContact O-CB 3.39Å; A289-N293 VanDerWaalsContact O-CG 3.25Å; A289-N293 PolarHBondContact O-N 2.84Å; A289-N293 PolarHBondContact O-ND2 3.32Å; A289-A331 HydrophobicContact CB-CB 4.46Å
290	D	95.2	Very high	90.9	Very high	65 Å²	65	54.7 Å²	54.7	35%	0.348	28%	0.277	S	S	.	.	H	α-helix	trans	-66.3	-47.6	-179.4	-62.4	-41.6	0	0	0	111.8	T287 V288 T292 N293 Q294	T287-D290 WeakPolarHBondContact CB-OD2 3.49Å; T287-D290 WeakPolarHBondContact CG2-OD2 3.43Å; T287-D290 PolarHBondContact N-OD2 2.82Å; T287-D290 PolarHBondContact O-N 2.87Å; T287-D290 VanDerWaalsContact O-N 3.1Å; T287-D290 PolarHBondContact OG1-N 2.76Å; T287-D290 VanDerWaalsContact OG1-N 3.1Å; T287-D290 PolarHBondContact OG1-OD2 2.93Å; V288-D290 VanDerWaalsContact C-N 3.34Å; V288-D290 PolarHBondContact O-N 2.85Å; D290-T292 VanDerWaalsContact C-N 3.33Å; D290-T292 PolarHBondContact O-N 2.83Å; D290-N293 PolarHBondContact O-N 3.16Å; D290-Q294 VanDerWaalsContact O-CG 3.31Å; D290-Q294 WeakPolarHBondContact O-CG 3.28Å; D290-Q294 PolarHBondContact O-N 3.43Å
291	I	96.7	Very high	91.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-37.5	178.9	65.3	178.9	0	0	0	111.2	A273 P274 L286 T287 V288 Q294 C295 Y319 R373 L375	A273-I291 HydrophobicContact CB-CB 4.26Å; A273-I291 WeakPolarHBondContact CB-O 3.22Å; P274-I291 HydrophobicContact CG-CG2 4.45Å; L286-I291 HydrophobicContact CB-CG2 4.5Å; T287-I291 PolarHBondContact O-N 2.67Å; V288-I291 VanDerWaalsContact O-CG1 3.22Å; V288-I291 WeakPolarHBondContact O-CG1 3.45Å; V288-I291 PolarHBondContact O-N 3.17Å; I291-Q294 PolarHBondContact O-N 3.06Å; I291-C295 PolarHBondContact O-N 3.17Å; I291-C295 VanDerWaalsContact O-N 3.08Å; I291-Y319 HydrophobicContact CD1-CD1 4.09Å; I291-Y319 HydrophobicContact CD1-CE1 4.14Å; I291-Y319 HydrophobicContact CG1-CE1 4.38Å; I291-R373 HydrophobicContact CD1-CG 4.15Å; I291-L375 HydrophobicContact CB-CB 4.43Å; I291-L375 HydrophobicContact CD1-CB 3.98Å; I291-L375 HydrophobicContact CG1-CB 4.15Å
292	T	97.3	Very high	92.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-46.8	173.1	-49.2	0	0	0	0	111	V288 D290 Q294 C295 F296 L317 Y319 A331 I335 L375	V288-T292 WeakPolarHBondContact O-CB 3.17Å; V288-T292 PolarHBondContact O-N 3.45Å; V288-T292 PolarHBondContact O-OG1 2.94Å; D290-T292 VanDerWaalsContact C-N 3.33Å; D290-T292 PolarHBondContact O-N 2.83Å; T292-Q294 VanDerWaalsContact C-N 3.3Å; T292-Q294 PolarHBondContact O-N 3.25Å; T292-C295 PolarHBondContact O-N 3.32Å; T292-F296 HydrophobicContact CG2-CE2 4.4Å; T292-F296 WeakPolarHBondContact O-CD2 3.3Å; T292-L317 HydrophobicContact CG2-CD1 4.42Å; T292-Y319 PolarHBondContact OG1-OH 2.9Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; T292-I335 HydrophobicContact CG2-CD1 4.34Å; T292-I335 HydrophobicContact CG2-CG1 3.78Å; T292-L375 HydrophobicContact CG2-CD2 4.44Å
293	N	96	Very high	92.9	Very high	50 Å²	50	40.9 Å²	40.9	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-38.7	178.1	-78	-51.6	0	0	0	112.4	A289 D290 C295 F296 D297 I335 K338	A289-N293 WeakPolarHBondContact O-CB 3.39Å; A289-N293 VanDerWaalsContact O-CG 3.25Å; A289-N293 PolarHBondContact O-N 2.84Å; A289-N293 PolarHBondContact O-ND2 3.32Å; D290-N293 PolarHBondContact O-N 3.16Å; N293-C295 VanDerWaalsContact C-N 3.33Å; N293-F296 PolarHBondContact O-N 2.65Å; N293-D297 PolarHBondContact O-N 2.91Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.48Å; N293-K338 VanDerWaalsContact OD1-CE 3.25Å; N293-K338 WeakPolarHBondContact OD1-CE 3.47Å; N293-K338 PolarHBondContact OD1-NZ 3.22Å
294	Q	95.7	Very high	93.6	Very high	38 Å²	38	35.6 Å²	35.6	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-36.2	176.3	-73.9	-179	46.8	0	0	112.2	A273 D290 I291 T292 F296 D297 N300	A273-Q294 HydrophobicContact CB-CB 3.71Å; D290-Q294 VanDerWaalsContact O-CG 3.31Å; D290-Q294 WeakPolarHBondContact O-CG 3.28Å; D290-Q294 PolarHBondContact O-N 3.43Å; I291-Q294 PolarHBondContact O-N 3.06Å; T292-Q294 VanDerWaalsContact C-N 3.3Å; T292-Q294 PolarHBondContact O-N 3.25Å; Q294-F296 PolarHBondContact O-N 2.89Å; Q294-D297 WeakPolarHBondContact O-CB 3.25Å; Q294-D297 PolarHBondContact O-N 3.01Å; Q294-D297 VanDerWaalsContact O-N 3.14Å; Q294-N300 PolarHBondContact O-ND2 3.28Å
295	C	96.9	Very high	94.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-27.1	177.5	-77.4	0	0	0	0	113.8	T271 A273 I291 T292 N293 Q301 L375 M377	T271-C295 HydrophobicContact CG2-CB 4.1Å; T271-C295 WeakPolarHBondContact CG2-O 3.24Å; A273-C295 VanDerWaalsContact CB-SG 3.6Å; I291-C295 PolarHBondContact O-N 3.17Å; I291-C295 VanDerWaalsContact O-N 3.08Å; T292-C295 PolarHBondContact O-N 3.32Å; N293-C295 VanDerWaalsContact C-N 3.33Å; C295-Q301 PolarHBondContact O-NE2 3.34Å; C295-L375 HydrophobicContact CB-CD2 4.03Å; C295-L375 VanDerWaalsContact SG-CD2 3.56Å; C295-L375 VanDerWaalsContact SG-CG 3.59Å; C295-M377 HydrophobicContact CB-CB 3.83Å; C295-M377 HydrophobicContact CB-CE 4.45Å; C295-M377 HydrophobicContact CB-SD 4Å; C295-M377 WeakPolarHBondContact O-CE 3.5Å
296	F	95.6	Very high	94.7	Very high	13 Å²	13	24.7 Å²	24.7	6%	0.057	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.4	176.5	-77.2	-84.1	0	0	0	114	T292 N293 Q294 P298 Y312 V315 L317 I335 I341 F351 M377	T292-F296 HydrophobicContact CG2-CE2 4.4Å; T292-F296 WeakPolarHBondContact O-CD2 3.3Å; N293-F296 PolarHBondContact O-N 2.65Å; Q294-F296 PolarHBondContact O-N 2.89Å; F296-P298 WeakPolarHBondContact O-CD 3.33Å; F296-Y312 HydrophobicContact CD1-CE2 4.15Å; F296-Y312 HydrophobicContact CE1-CE2 4.1Å; F296-V315 HydrophobicContact CE1-CG2 4.44Å; F296-V315 HydrophobicContact CZ-CG1 3.99Å; F296-V315 HydrophobicContact CZ-CG2 4.39Å; F296-L317 HydrophobicContact CE2-CD2 4.41Å; F296-I335 HydrophobicContact CB-CD1 4.35Å; F296-I335 HydrophobicContact CD1-CG2 4.49Å; F296-I335 HydrophobicContact CD2-CD1 3.64Å; F296-I335 HydrophobicContact CD2-CG1 4.01Å; F296-I335 HydrophobicContact CD2-CG2 4.08Å; F296-I335 HydrophobicContact CE1-CG2 4.19Å; F296-I335 HydrophobicContact CE2-CD1 4.23Å; F296-I335 HydrophobicContact CE2-CG1 4.07Å; F296-I335 HydrophobicContact CE2-CG2 3.77Å; F296-I335 HydrophobicContact CG-CD1 4.14Å; F296-I335 HydrophobicContact CG-CG2 4.43Å; F296-I335 HydrophobicContact CZ-CG2 3.81Å; F296-I341 HydrophobicContact CB-CD1 3.76Å; F296-I341 HydrophobicContact CD1-CD1 3.63Å; F296-I341 HydrophobicContact CD1-CG1 4.19Å; F296-I341 HydrophobicContact CD1-CG2 4.02Å; F296-I341 HydrophobicContact CE1-CD1 4.34Å; F296-I341 HydrophobicContact CE1-CG2 3.92Å; F296-I341 HydrophobicContact CG-CD1 3.73Å; F296-F351 HydrophobicContact CE2-CE1 4.07Å; F296-F351 AromaticContact CZ-CE1 3.59Å; F296-F351 HydrophobicContact CZ-CE1 3.59Å; F296-F351 AromaticContact CZ-CZ 3.89Å; F296-F351 HydrophobicContact CZ-CZ 3.89Å; F296-M377 HydrophobicContact CD1-CE 4.44Å; F296-M377 HydrophobicContact CD1-SD 4.19Å; F296-M377 HydrophobicContact CD2-SD 3.99Å; F296-M377 HydrophobicContact CE1-SD 3.89Å; F296-M377 HydrophobicContact CE2-SD 3.66Å; F296-M377 HydrophobicContact CG-SD 4.25Å; F296-M377 HydrophobicContact CZ-SD 3.61Å
297	D	94.6	Very high	94.9	Very high	66 Å²	66	24.1 Å²	24.1	35%	0.353	14%	0.14	S	C	.	.			trans	-75	122.1	172.8	-172.9	-16.4	0	0	0	109	N293 Q294 A299 N300	N293-D297 PolarHBondContact O-N 2.91Å; Q294-D297 WeakPolarHBondContact O-CB 3.25Å; Q294-D297 PolarHBondContact O-N 3.01Å; Q294-D297 VanDerWaalsContact O-N 3.14Å; D297-A299 PolarHBondContact O-N 2.54Å; D297-A299 VanDerWaalsContact O-N 3.08Å; D297-A299 WeakPolarHBondContact OD1-CB 3.13Å; D297-A299 PolarHBondContact OD1-N 3.2Å; D297-N300 PolarHBondContact O-N 3.3Å
298	P	94.2	Very high	94.7	Very high	35 Å²	35	28.6 Å²	28.6	23%	0.227	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-50.7	-32.7	174.2	-28.8	36.3	0	0	0	113.1	F296 N300 Q301 P307 R308	F296-P298 WeakPolarHBondContact O-CD 3.33Å; P298-N300 PolarHBondContact O-N 2.83Å; P298-Q301 WeakPolarHBondContact O-CB 3.22Å; P298-Q301 WeakPolarHBondContact O-CG 3.47Å; P298-Q301 PolarHBondContact O-N 2.96Å; P298-P307 HydrophobicContact CB-CG 4.41Å; P298-P307 HydrophobicContact CG-CG 4.23Å; P298-R308 HydrophobicContact CG-CG 4.1Å
299	A	93.7	Very high	94.5	Very high	42 Å²	42	34.5 Å²	34.5	35%	0.347	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-70.5	-13.1	180	0	0	0	0	0	113.6	R215 D297	R215-A299 PolarHBondContact NH2-O 3.38Å; D297-A299 PolarHBondContact O-N 2.54Å; D297-A299 VanDerWaalsContact O-N 3.08Å; D297-A299 WeakPolarHBondContact OD1-CB 3.13Å; D297-A299 PolarHBondContact OD1-N 3.2Å
300	N	95.2	Very high	94.3	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.027	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-102.8	-2.6	177.4	-61.3	-29.1	0	0	0	112.6	I212 K216 T271 Q294 D297 P298 M302	I212-N300 WeakPolarHBondContact CD1-O 3.46Å; K216-N300 WeakPolarHBondContact CE-OD1 3.49Å; T271-N300 HydrophobicContact CG2-CB 3.8Å; T271-N300 VanDerWaalsContact CG2-O 3.31Å; T271-N300 WeakPolarHBondContact CG2-O 3.4Å; Q294-N300 PolarHBondContact O-ND2 3.28Å; D297-N300 PolarHBondContact O-N 3.3Å; P298-N300 PolarHBondContact O-N 2.83Å; N300-M302 PolarHBondContact O-N 3.23Å
301	Q	95.2	Very high	94.3	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-60.1	136.3	172.5	-61.7	-57.3	-44.3	0	0	109.9	T271 C295 P298 V303 P307	T271-Q301 PolarHBondContact OG1-NE2 3.2Å; T271-Q301 PolarHBondContact OG1-OE1 2.97Å; C295-Q301 PolarHBondContact O-NE2 3.34Å; P298-Q301 WeakPolarHBondContact O-CB 3.22Å; P298-Q301 WeakPolarHBondContact O-CG 3.47Å; P298-Q301 PolarHBondContact O-N 2.96Å; Q301-V303 PolarHBondContact O-N 3.36Å; Q301-P307 HydrophobicContact CG-CG 4.09Å
302	M	95.8	Very high	94.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-88.5	8.4	179.3	-66.2	165.5	157.8	0	0	112.5	V204 D205 I209 I212 L230 I234 V270 N300	V204-M302 CarbonylContact C-O 3.57Å; V204-M302 WeakPolarHBondContact CA-O 3.35Å; V204-M302 HydrophobicContact CB-CB 4.33Å; V204-M302 HydrophobicContact CG1-CB 4.09Å; D205-M302 PolarHBondContact N-O 3.15Å; I209-M302 HydrophobicContact CG1-CB 4.3Å; I209-M302 HydrophobicContact CG1-CG 4.34Å; I212-M302 HydrophobicContact CD1-CG 3.98Å; L230-M302 HydrophobicContact CD1-CE 4.06Å; L230-M302 HydrophobicContact CD2-CE 3.5Å; L230-M302 HydrophobicContact CG-CE 3.57Å; I234-M302 HydrophobicContact CD1-CE 3.66Å; I234-M302 HydrophobicContact CD1-SD 3.14Å; I234-M302 WeakPolarHBondContact CD1-SD 3.35Å; I234-M302 HydrophobicContact CG1-CE 3.95Å; I234-M302 HydrophobicContact CG1-SD 3.8Å; V270-M302 HydrophobicContact CB-SD 4.2Å; V270-M302 HydrophobicContact CG1-SD 3.8Å; V270-M302 WeakPolarHBondContact O-CB 3.49Å; V270-M302 PolarHBondContact O-N 3.15Å; N300-M302 PolarHBondContact O-N 3.23Å
303	V	93.9	Very high	94	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	16%	0.159	C	C	.	.	S	Bend	trans	-129.6	141.2	168.8	-179.7	0	0	0	0	108.6	M203 D205 L269 Q301 C305 I384	M203-V303 HydrophobicContact CB-CG2 3.88Å; M203-V303 VanDerWaalsContact O-CG2 3.26Å; M203-V303 WeakPolarHBondContact O-CG2 3.4Å; D205-V303 VanDerWaalsContact OD2-C 3.28Å; D205-V303 WeakPolarHBondContact OD2-CA 3.48Å; L269-V303 HydrophobicContact CD2-CB 3.94Å; L269-V303 HydrophobicContact CD2-CG1 4.31Å; L269-V303 HydrophobicContact CD2-CG2 4.04Å; Q301-V303 PolarHBondContact O-N 3.36Å; V303-C305 PolarHBondContact O-N 3.43Å; V303-C305 PolarHBondContact O-SG 3.12Å; V303-I384 HydrophobicContact CG1-CD1 4.16Å
304	K	92.5	Very high	93.9	Very high	57 Å²	57	29.9 Å²	29.9	25%	0.248	15%	0.15	C	C	.	.	S	Bend	trans	-70.9	75.5	175.8	-73.3	-60.9	-170.2	172.5	0	110.1	P175 D205 E207 A208 D211 R390	P175-K304 HydrophobicContact CG-CB 3.99Å; P175-K304 HydrophobicContact CG-CG 4.24Å; D205-K304 WeakPolarHBondContact OD2-CB 3.18Å; D205-K304 WeakPolarHBondContact OD2-CG 3.41Å; D205-K304 PolarHBondContact OD2-N 3.45Å; E207-K304 HydrophobicContact CB-CG 4.4Å; E207-K304 HydrophobicContact CG-CG 4.49Å; E207-K304 VanDerWaalsContact OE1-CE 3.29Å; E207-K304 WeakPolarHBondContact OE1-CE 3.33Å; E207-K304 IonicContact OE1-NZ 2.62Å; A208-K304 HydrophobicContact CB-CD 4.28Å; A208-K304 HydrophobicContact CB-CG 4.24Å; D211-K304 IonicContact OD2-NZ 3.16Å; D211-K304 PolarHBondContact OD2-NZ 2.61Å; K304-R390 VanDerWaalsContact O-CZ 3.31Å; K304-R390 PolarHBondContact O-NH1 2.78Å; K304-R390 VanDerWaalsContact O-NH1 3.14Å; K304-R390 PolarHBondContact O-NH2 3.45Å
305	C	90.3	Very high	93.8	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.068	14%	0.142	C	C	.	.			trans	-146.4	145.1	172.4	54.3	0	0	0	0	107.3	L269 V303 P307	L269-C305 WeakPolarHBondContact CD1-SG 3.35Å; V303-C305 PolarHBondContact O-N 3.43Å; V303-C305 PolarHBondContact O-SG 3.12Å; C305-P307 WeakPolarHBondContact O-CD 3.26Å
306	D	92.3	Very high	93.7	Very high	25 Å²	25	28.2 Å²	28.2	13%	0.134	14%	0.142	C	C	.	.			trans	-95.9	108	175.1	-167.2	-19.9	0	0	0	109.4	R308 H309 A383 E386	D306-R308 VanDerWaalsContact CG-NE 3.3Å; D306-R308 PolarHBondContact O-N 2.95Å; D306-R308 WeakPolarHBondContact OD1-CB 3.38Å; D306-R308 VanDerWaalsContact OD1-CG 3.24Å; D306-R308 WeakPolarHBondContact OD1-CG 3.49Å; D306-R308 IonicContact OD1-CZ 2.71Å; D306-R308 PolarHBondContact OD1-N 2.89Å; D306-R308 IonicContact OD1-NE 3.91Å; D306-R308 PolarHBondContact OD1-NE 3.24Å; D306-R308 IonicContact OD1-NH2 3.7Å; D306-R308 IonicContact OD2-CZ 3.88Å; D306-R308 IonicContact OD2-NE 3.94Å; D306-R308 PolarHBondContact OD2-NE 2.92Å; D306-R308 IonicContact OD2-NH2 2.89Å; D306-R308 PolarHBondContact OD2-NH2 3Å; D306-H309 PolarHBondContact O-N 2.98Å; D306-H309 IonicContact OD2-CE1 3.14Å; D306-H309 IonicContact OD2-NE2 2.6Å; D306-A383 WeakPolarHBondContact O-CB 3.44Å; D306-E386 PolarHBondContact N-OE2 3.49Å
307	P	92.7	Very high	93.7	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.032	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-61.6	-13.7	-179.9	25.1	-34	0	0	0	113.2	P298 Q301 C305 H309 G310 Y312	P298-P307 HydrophobicContact CB-CG 4.41Å; P298-P307 HydrophobicContact CG-CG 4.23Å; Q301-P307 HydrophobicContact CG-CG 4.09Å; C305-P307 WeakPolarHBondContact O-CD 3.26Å; P307-H309 VanDerWaalsContact C-N 3.28Å; P307-G310 PolarHBondContact O-N 3.16Å; P307-Y312 HydrophobicContact CB-CE1 4.29Å; P307-Y312 HydrophobicContact CB-CE2 4.27Å; P307-Y312 WeakPolarHBondContact CB-OH 3.05Å
308	R	92.2	Very high	93.7	Very high	144 Å²	144	24.8 Å²	24.8	54%	0.543	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-73.2	-18.7	174.4	-58.5	174.3	-68.5	-174.4	-1.2	113.3	P298 D306 G310	P298-R308 HydrophobicContact CG-CG 4.1Å; D306-R308 VanDerWaalsContact CG-NE 3.3Å; D306-R308 PolarHBondContact O-N 2.95Å; D306-R308 WeakPolarHBondContact OD1-CB 3.38Å; D306-R308 VanDerWaalsContact OD1-CG 3.24Å; D306-R308 WeakPolarHBondContact OD1-CG 3.49Å; D306-R308 IonicContact OD1-CZ 2.71Å; D306-R308 PolarHBondContact OD1-N 2.89Å; D306-R308 IonicContact OD1-NE 3.91Å; D306-R308 PolarHBondContact OD1-NE 3.24Å; D306-R308 IonicContact OD1-NH2 3.7Å; D306-R308 IonicContact OD2-CZ 3.88Å; D306-R308 IonicContact OD2-NE 3.94Å; D306-R308 PolarHBondContact OD2-NE 2.92Å; D306-R308 IonicContact OD2-NH2 2.89Å; D306-R308 PolarHBondContact OD2-NH2 3Å; R308-G310 VanDerWaalsContact C-N 3.29Å
309	H	92.4	Very high	93.8	Very high	131 Å²	131	23.2 Å²	23.2	61%	0.606	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-88.9	1.9	175.6	-59.2	162.4	0	0	0	112.8	D306 P307 E386	D306-H309 PolarHBondContact O-N 2.98Å; D306-H309 IonicContact OD2-CE1 3.14Å; D306-H309 IonicContact OD2-NE2 2.6Å; P307-H309 VanDerWaalsContact C-N 3.28Å; H309-E386 VanDerWaalsContact CB-OE1 3.3Å; H309-E386 WeakPolarHBondContact CB-OE1 3.07Å; H309-E386 IonicContact CE1-OE1 2.76Å; H309-E386 IonicContact CG-OE1 2.67Å; H309-E386 IonicContact ND1-OE1 3.61Å; H309-E386 PolarHBondContact ND1-OE1 3.2Å
310	G	92.9	Very high	93.8	Very high	7 Å²	7	21.3 Å²	21.3	7%	0.072	10%	0.098	C	C	.	.	S	Bend	trans	-136.3	-170.7	175.8	0	0	0	0	0	112	P307 R308 T382	P307-G310 PolarHBondContact O-N 3.16Å; R308-G310 VanDerWaalsContact C-N 3.29Å; G310-T382 VanDerWaalsContact CA-OG1 3.25Å; G310-T382 WeakPolarHBondContact CA-OG1 3.5Å
311	K	93.7	Very high	93.8	Very high	27 Å²	27	21.1 Å²	21.1	12%	0.117	10%	0.098	C	C	.	.			trans	-121.9	137.8	176.8	-65.3	178.2	-176.7	167.1	0	109.4	M313 Q342 V344 T381 T382 G436 D438	K311-M313 PolarHBondContact O-N 3.44Å; K311-Q342 WeakPolarHBondContact CA-O 3.31Å; K311-Q342 HydrophobicContact CG-CB 4.11Å; K311-V344 HydrophobicContact CB-CG1 3.84Å; K311-V344 HydrophobicContact CD-CG1 4.42Å; K311-T381 VanDerWaalsContact O-CA 3.32Å; K311-T381 WeakPolarHBondContact O-CA 3.21Å; K311-T381 PolarHBondContact O-OG1 3.48Å; K311-T382 PolarHBondContact N-OG1 3.36Å; K311-T382 PolarHBondContact O-N 2.85Å; K311-G436 WeakPolarHBondContact CE-O 3.23Å; K311-G436 PolarHBondContact NZ-O 2.53Å; K311-D438 IonicContact NZ-OD1 3.79Å; K311-D438 PolarHBondContact NZ-OD1 2.77Å; K311-D438 IonicContact NZ-OD2 3.83Å; K311-D438 PolarHBondContact NZ-OD2 3.11Å
312	Y	94.4	Very high	93.7	Very high	4 Å²	4	25 Å²	25	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.9	171.8	-68.8	-75.8	0	0	0	110	F296 P307 V315 I341 Q342 F343 V344	F296-Y312 HydrophobicContact CD1-CE2 4.15Å; F296-Y312 HydrophobicContact CE1-CE2 4.1Å; P307-Y312 HydrophobicContact CB-CE1 4.29Å; P307-Y312 HydrophobicContact CB-CE2 4.27Å; P307-Y312 WeakPolarHBondContact CB-OH 3.05Å; Y312-V315 HydrophobicContact CD1-CG2 3.87Å; Y312-V315 HydrophobicContact CE1-CG2 4.5Å; Y312-V315 HydrophobicContact CG-CG2 4.11Å; Y312-I341 HydrophobicContact CD2-CG2 3.85Å; Y312-I341 HydrophobicContact CE2-CG2 3.79Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.25Å; Y312-Q342 PolarHBondContact N-O 2.74Å; Y312-F343 HydrophobicContact CG-CE1 4.41Å; Y312-F343 HydrophobicContact CG-CZ 4.49Å; Y312-F343 VanDerWaalsContact O-CA 3.27Å; Y312-F343 WeakPolarHBondContact O-CA 3.09Å; Y312-F343 WeakPolarHBondContact O-CD1 3.27Å; Y312-V344 PolarHBondContact O-N 3.33Å; Y312-V344 VanDerWaalsContact O-N 3.09Å
313	M	93.7	Very high	93.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-34.1	172.4	-67	172.7	-81.6	0	0	111.4	P261 I265 K311 V344 W346 C347 N380 T382 Y432 V435	P261-M313 HydrophobicContact CG-CB 4.42Å; P261-M313 HydrophobicContact CG-SD 4.05Å; I265-M313 HydrophobicContact CG2-CE 3.65Å; I265-M313 HydrophobicContact CG2-SD 3.86Å; K311-M313 PolarHBondContact O-N 3.44Å; M313-V344 HydrophobicContact CB-CG2 4.48Å; M313-V344 HydrophobicContact CG-CG1 3.85Å; M313-V344 HydrophobicContact CG-CG2 4.31Å; M313-W346 HydrophobicContact CB-CH2 3.91Å; M313-W346 HydrophobicContact CB-CZ2 4.36Å; M313-W346 HydrophobicContact CG-CH2 4.05Å; M313-W346 HydrophobicContact CG-CZ2 3.99Å; M313-C347 PolarHBondContact O-SG 3.21Å; M313-N380 HydrophobicContact CE-CB 4.34Å; M313-N380 WeakPolarHBondContact CE-OD1 3.14Å; M313-N380 PolarHBondContact N-O 3.43Å; M313-T382 HydrophobicContact CE-CG2 4.07Å; M313-T382 HydrophobicContact CG-CG2 4.5Å; M313-T382 HydrophobicContact SD-CG2 4.3Å; M313-Y432 HydrophobicContact CE-CD1 3.92Å; M313-Y432 HydrophobicContact CE-CE1 3.71Å; M313-V435 HydrophobicContact CG-CG1 3.94Å; M313-V435 HydrophobicContact SD-CB 4.4Å; M313-V435 HydrophobicContact SD-CG1 3.39Å; M313-V435 WeakPolarHBondContact SD-CG1 3.45Å
314	A	93.4	Very high	93.6	Very high	8 Å²	8	29 Å²	29	7%	0.066	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.6	177.6	0	0	0	0	0	110.4	N258 L259 S379 N380	N258-A314 VanDerWaalsContact O-CB 3.28Å; N258-A314 WeakPolarHBondContact O-CB 3.33Å; L259-A314 HydrophobicContact CD2-CB 4.2Å; A314-S379 CarbonylContact O-C 3.44Å; A314-S379 VanDerWaalsContact O-CA 3.23Å; A314-S379 WeakPolarHBondContact O-CA 3.43Å; A314-N380 HydrophobicContact CB-CB 4.37Å; A314-N380 PolarHBondContact N-O 2.82Å; A314-N380 PolarHBondContact O-N 2.86Å
315	V	94.5	Very high	93.6	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.2	175.1	179.1	0	0	0	0	109.4	F296 Y312 L317 F343 G350 F351 K352 M377 L378	F296-V315 HydrophobicContact CE1-CG2 4.44Å; F296-V315 HydrophobicContact CZ-CG1 3.99Å; F296-V315 HydrophobicContact CZ-CG2 4.39Å; Y312-V315 HydrophobicContact CD1-CG2 3.87Å; Y312-V315 HydrophobicContact CE1-CG2 4.5Å; Y312-V315 HydrophobicContact CG-CG2 4.11Å; V315-L317 HydrophobicContact CG1-CD2 3.75Å; V315-L317 HydrophobicContact CG1-CG 4.09Å; V315-F343 HydrophobicContact CG2-CE1 3.76Å; V315-F343 HydrophobicContact CG2-CZ 3.96Å; V315-G350 WeakPolarHBondContact CA-O 3.45Å; V315-G350 WeakPolarHBondContact CB-O 3.38Å; V315-G350 PolarHBondContact N-O 3.01Å; V315-F351 HydrophobicContact CB-CD1 4.17Å; V315-F351 HydrophobicContact CB-CE1 4.28Å; V315-F351 HydrophobicContact CG1-CD1 4.02Å; V315-F351 HydrophobicContact CG1-CE1 4.01Å; V315-F351 CarbonylContact O-C 3.56Å; V315-F351 VanDerWaalsContact O-CA 3.32Å; V315-F351 WeakPolarHBondContact O-CA 3.14Å; V315-K352 PolarHBondContact O-N 2.85Å; V315-M377 HydrophobicContact CG1-CG 3.86Å; V315-M377 HydrophobicContact CG1-SD 3.96Å; V315-L378 CarbonylContact C-O 3.45Å; V315-L378 WeakPolarHBondContact CA-O 3.21Å
316	C	94	Very high	93.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.5	170.6	-169	0	0	0	0	109.7	L259 K352 M377 L378	L259-C316 HydrophobicContact CD1-CB 4.48Å; L259-C316 HydrophobicContact CD2-CB 3.79Å; L259-C316 HydrophobicContact CG-CB 4.35Å; C316-K352 CarbonylContact C-O 3.59Å; C316-K352 WeakPolarHBondContact CA-O 3.25Å; C316-K352 HydrophobicContact CB-CB 4.43Å; C316-M377 WeakPolarHBondContact O-CA 3.49Å; C316-L378 HydrophobicContact CB-CB 4.26Å; C316-L378 PolarHBondContact N-O 3.36Å; C316-L378 PolarHBondContact O-N 3.16Å
317	L	95.2	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	108.1	179.7	-60.2	-178	0	0	0	109.6	T292 F296 V315 Y319 I332 F351 K352 V353 G354 L375 M377	T292-L317 HydrophobicContact CG2-CD1 4.42Å; F296-L317 HydrophobicContact CE2-CD2 4.41Å; V315-L317 HydrophobicContact CG1-CD2 3.75Å; V315-L317 HydrophobicContact CG1-CG 4.09Å; L317-Y319 HydrophobicContact CB-CD2 4.26Å; L317-Y319 HydrophobicContact CB-CE2 3.62Å; L317-Y319 HydrophobicContact CD1-CE2 4.21Å; L317-I332 HydrophobicContact CD1-CD1 3.99Å; L317-I332 HydrophobicContact CD1-CG1 3.81Å; L317-F351 HydrophobicContact CD1-CD1 3.78Å; L317-F351 HydrophobicContact CD1-CE1 4.11Å; L317-F351 HydrophobicContact CG-CD1 4.22Å; L317-K352 PolarHBondContact N-O 3.21Å; L317-V353 WeakPolarHBondContact O-CA 3.37Å; L317-G354 PolarHBondContact O-N 2.82Å; L317-L375 HydrophobicContact CB-CD1 3.79Å; L317-L375 HydrophobicContact CD2-CD1 4.19Å; L317-L375 HydrophobicContact CD2-CD2 4.28Å; L317-M377 HydrophobicContact CD2-CB 3.99Å; L317-M377 HydrophobicContact CD2-CG 3.72Å; L317-M377 HydrophobicContact CD2-SD 4.06Å
318	L	95.2	Very high	94.3	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	93.9	-178.4	-55.7	178.2	0	0	0	109.9	I238 V250 F255 L375 C376 L378	I238-L318 HydrophobicContact CB-CD1 4.44Å; I238-L318 HydrophobicContact CG1-CD1 4.08Å; V250-L318 HydrophobicContact CG2-CD2 4.37Å; F255-L318 HydrophobicContact CE1-CD1 4.06Å; F255-L318 HydrophobicContact CE1-CD2 4.39Å; F255-L318 HydrophobicContact CZ-CD1 4.12Å; L318-L375 WeakPolarHBondContact O-CA 3.48Å; L318-C376 HydrophobicContact CB-CB 4.24Å; L318-C376 WeakPolarHBondContact CB-O 3.2Å; L318-C376 PolarHBondContact N-O 3.04Å; L318-C376 PolarHBondContact O-N 3.49Å; L318-L378 HydrophobicContact CD1-CD1 3.92Å; L318-L378 HydrophobicContact CD1-CG 4.41Å
319	Y	96.3	Very high	94.4	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	140.6	178.2	-67.5	-87.5	0	0	0	111.5	V288 I291 T292 L317 V323 V328 V353 G354 N356 A374 L375	V288-Y319 HydrophobicContact CG1-CD1 4.48Å; V288-Y319 HydrophobicContact CG1-CE1 3.82Å; I291-Y319 HydrophobicContact CD1-CD1 4.09Å; I291-Y319 HydrophobicContact CD1-CE1 4.14Å; I291-Y319 HydrophobicContact CG1-CE1 4.38Å; T292-Y319 PolarHBondContact OG1-OH 2.9Å; L317-Y319 HydrophobicContact CB-CD2 4.26Å; L317-Y319 HydrophobicContact CB-CE2 3.62Å; L317-Y319 HydrophobicContact CD1-CE2 4.21Å; Y319-V323 HydrophobicContact CD1-CG1 3.88Å; Y319-V323 HydrophobicContact CD1-CG2 4.14Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å; Y319-V323 HydrophobicContact CG-CG2 4.48Å; Y319-V328 HydrophobicContact CD1-CG2 4.49Å; Y319-V328 HydrophobicContact CD2-CG1 4.2Å; Y319-V328 HydrophobicContact CD2-CG2 3.96Å; Y319-V328 HydrophobicContact CE1-CG2 4.34Å; Y319-V328 HydrophobicContact CE2-CB 4.26Å; Y319-V328 HydrophobicContact CE2-CG1 3.45Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.45Å; Y319-V328 HydrophobicContact CE2-CG2 3.8Å; Y319-V328 HydrophobicContact CG-CG2 4.31Å; Y319-V353 HydrophobicContact CD2-CG1 4.1Å; Y319-V353 HydrophobicContact CE2-CG1 4.23Å; Y319-G354 PolarHBondContact N-O 3.35Å; Y319-N356 PolarHBondContact O-N 3.36Å; Y319-A374 WeakPolarHBondContact CA-O 3.44Å; Y319-L375 HydrophobicContact CD1-CB 4.06Å; Y319-L375 HydrophobicContact CD1-CD1 3.91Å; Y319-L375 HydrophobicContact CD1-CG 4.38Å; Y319-L375 HydrophobicContact CD2-CD1 3.98Å; Y319-L375 HydrophobicContact CE1-CB 4.08Å; Y319-L375 HydrophobicContact CE1-CD1 3.82Å; Y319-L375 HydrophobicContact CE1-CD2 3.8Å; Y319-L375 HydrophobicContact CE1-CG 4.11Å; Y319-L375 HydrophobicContact CE2-CD1 3.89Å; Y319-L375 HydrophobicContact CG-CD1 4Å
320	R	94.7	Very high	94.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.8	174.1	-65.3	-70.7	-53.7	-124.1	-9.9	109.3	E27 S236 N356 Q358 P359 P360 R373 A374	E27-R320 IonicContact OE1-NH2 3.76Å; S236-R320 PolarHBondContact O-NH1 3.17Å; R320-N356 CarbonylContact C-O 3.03Å; R320-N356 WeakPolarHBondContact CA-O 3.37Å; R320-Q358 PolarHBondContact NE-O 2.72Å; R320-Q358 PolarHBondContact NH2-O 3.17Å; R320-P359 PolarHBondContact NH2-O 3.36Å; R320-P360 HydrophobicContact CB-CG 3.93Å; R320-R373 CarbonylContact O-C 3.28Å; R320-R373 WeakPolarHBondContact O-CA 3.38Å; R320-R373 WeakPolarHBondContact O-CB 3.35Å; R320-A374 PolarHBondContact N-O 2.86Å; R320-A374 PolarHBondContact O-N 3.12Å
321	G	94.4	Very high	94.8	Very high	2 Å²	2	33 Å²	33	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.2	-146.7	170.3	0	0	0	0	0	115	V323 N356 Q358 P372	G321-V323 VanDerWaalsContact C-N 3.26Å; G321-V323 PolarHBondContact O-N 3.07Å; G321-N356 PolarHBondContact N-O 3.06Å; G321-Q358 PolarHBondContact N-O 3.29Å; G321-P372 WeakPolarHBondContact CA-O 3.44Å
322	D	93.5	Very high	94.9	Very high	86 Å²	86	32.4 Å²	32.4	46%	0.46	18%	0.181	S	C	.	.	S	Bend	trans	-78.3	70.1	-173	68.7	-23.7	0	0	0	112.8	P372 R373	D322-P372 PolarHBondContact N-O 3.36Å; D322-R373 PolarHBondContact O-NE 2.86Å; D322-R373 WeakPolarHBondContact OD1-CB 2.99Å; D322-R373 IonicContact OD1-CZ 2.75Å; D322-R373 IonicContact OD1-NE 3.16Å; D322-R373 PolarHBondContact OD1-NE 3.36Å; D322-R373 IonicContact OD1-NH2 3.33Å; D322-R373 PolarHBondContact OD1-NH2 3.44Å; D322-R373 VanDerWaalsContact OD1-NH2 3.16Å; D322-R373 IonicContact OD2-CZ 2.69Å; D322-R373 IonicContact OD2-NE 2.7Å; D322-R373 IonicContact OD2-NH2 3.65Å; D322-R373 PolarHBondContact OD2-NH2 3.2Å
323	V	94.3	Very high	94.9	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.042	20%	0.201	C	C	.	.			trans	-118	128.4	-176.9	178.5	0	0	0	0	110.7	V288 Y319 G321 V328 I355 R373	V288-V323 HydrophobicContact CG1-CG1 4.34Å; V288-V323 HydrophobicContact CG2-CB 4.47Å; V288-V323 HydrophobicContact CG2-CG1 3.98Å; V288-V323 HydrophobicContact CG2-CG2 4.22Å; Y319-V323 HydrophobicContact CD1-CG1 3.88Å; Y319-V323 HydrophobicContact CD1-CG2 4.14Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å; Y319-V323 HydrophobicContact CG-CG2 4.48Å; G321-V323 VanDerWaalsContact C-N 3.26Å; G321-V323 PolarHBondContact O-N 3.07Å; V323-V328 HydrophobicContact CG1-CG2 3.35Å; V323-I355 HydrophobicContact CB-CG2 4.32Å; V323-R373 HydrophobicContact CG2-CB 3.92Å
324	V	92.9	Very high	94.9	Very high	80 Å²	80	38.8 Å²	38.8	49%	0.485	22%	0.222	S	C	.	.			trans	-103.3	134.8	179.2	-176.5	0	0	0	0	110	K326 D327 V328	V324-K326 HydrophobicContact CG1-CB 4.23Å; V324-K326 PolarHBondContact O-N 3.28Å; V324-D327 PolarHBondContact O-N 2.83Å; V324-V328 PolarHBondContact O-N 2.64Å
325	P	93.3	Very high	95	Very high	62 Å²	62	38.4 Å²	38.4	40%	0.403	22%	0.219	S	C	.	.	H	α-helix	trans	-53.8	-31.8	-178.9	-27.3	31.9	0	0	0	115	D327 V328 N329 I355	P325-D327 PolarHBondContact O-N 3.07Å; P325-V328 PolarHBondContact O-N 2.93Å; P325-N329 PolarHBondContact O-N 3.31Å; P325-N329 PolarHBondContact O-ND2 2.95Å; P325-N329 VanDerWaalsContact O-ND2 3.08Å; P325-I355 HydrophobicContact CB-CD1 4.23Å; P325-I355 HydrophobicContact CG-CD1 3.84Å
326	K	96.1	Very high	94.8	Very high	163 Å²	163	43.4 Å²	43.4	71%	0.709	24%	0.24	S	C	*	.	H	α-helix	trans	-59.5	-45.5	176.4	-178.4	-176.3	173.8	-172.9	0	112	V324 V328 N329 A330	V324-K326 HydrophobicContact CG1-CB 4.23Å; V324-K326 PolarHBondContact O-N 3.28Å; K326-V328 VanDerWaalsContact C-N 3.34Å; K326-N329 PolarHBondContact O-N 2.9Å; K326-A330 PolarHBondContact O-N 3.4Å; K326-A330 VanDerWaalsContact O-N 3.09Å
327	D	96.4	Very high	94.7	Very high	77 Å²	77	48.4 Å²	48.4	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-72.5	-33.9	-177.5	-61	-24.3	0	0	0	110.8	V288 V324 P325 A330 A331	V288-D327 HydrophobicContact CB-CB 3.99Å; V288-D327 HydrophobicContact CG1-CB 4.2Å; V288-D327 HydrophobicContact CG2-CB 4.04Å; V324-D327 PolarHBondContact O-N 2.83Å; P325-D327 PolarHBondContact O-N 3.07Å; D327-A330 PolarHBondContact O-N 3.4Å; D327-A331 WeakPolarHBondContact O-CB 3.02Å; D327-A331 PolarHBondContact O-N 3.46Å
328	V	95.9	Very high	94.6	Very high	1 Å²	1	52 Å²	52	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-48.3	172.7	178.4	0	0	0	0	111	V288 Y319 V323 V324 P325 K326 A330 A331 I332 V353 I355	V288-V328 HydrophobicContact CG1-CG2 3.99Å; Y319-V328 HydrophobicContact CD1-CG2 4.49Å; Y319-V328 HydrophobicContact CD2-CG1 4.2Å; Y319-V328 HydrophobicContact CD2-CG2 3.96Å; Y319-V328 HydrophobicContact CE1-CG2 4.34Å; Y319-V328 HydrophobicContact CE2-CB 4.26Å; Y319-V328 HydrophobicContact CE2-CG1 3.45Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.45Å; Y319-V328 HydrophobicContact CE2-CG2 3.8Å; Y319-V328 HydrophobicContact CG-CG2 4.31Å; V323-V328 HydrophobicContact CG1-CG2 3.35Å; V324-V328 PolarHBondContact O-N 2.64Å; P325-V328 PolarHBondContact O-N 2.93Å; K326-V328 VanDerWaalsContact C-N 3.34Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.59Å; V328-A331 PolarHBondContact O-N 2.73Å; V328-I332 HydrophobicContact CG1-CD1 3.75Å; V328-I332 HydrophobicContact CG1-CG1 4.37Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 2.98Å; V328-V353 HydrophobicContact CG1-CG1 3.77Å; V328-V353 HydrophobicContact CG1-CG2 3.96Å; V328-I355 HydrophobicContact CG2-CD1 4.16Å
329	N	94.9	Very high	94.3	Very high	106 Å²	106	62.9 Å²	62.9	57%	0.567	33%	0.328	S	S	*	.	H	α-helix	trans	-61.6	-39.6	178.1	-74.4	-41.8	0	0	0	112.1	P325 K326 A333	P325-N329 PolarHBondContact O-N 3.31Å; P325-N329 PolarHBondContact O-ND2 2.95Å; P325-N329 VanDerWaalsContact O-ND2 3.08Å; K326-N329 PolarHBondContact O-N 2.9Å; N329-A333 WeakPolarHBondContact O-CB 3.22Å; N329-A333 PolarHBondContact O-N 2.77Å
330	A	97.2	Very high	94	Very high	51 Å²	51	67.3 Å²	67.3	42%	0.421	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-42.1	174.8	0	0	0	0	0	112.1	K326 D327 V328 A333 N334	K326-A330 PolarHBondContact O-N 3.4Å; K326-A330 VanDerWaalsContact O-N 3.09Å; D327-A330 PolarHBondContact O-N 3.4Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.59Å; A330-A333 PolarHBondContact O-N 3.31Å; A330-N334 VanDerWaalsContact O-CG 3.32Å; A330-N334 PolarHBondContact O-N 2.9Å; A330-N334 PolarHBondContact O-ND2 3.33Å
331	A	96.7	Very high	93.8	Very high	3 Å²	3	68 Å²	68	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-45.3	176.4	0	0	0	0	0	111.8	V288 A289 T292 D327 V328 N334 I335	V288-A331 HydrophobicContact CG1-CB 4.4Å; A289-A331 HydrophobicContact CB-CB 4.46Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; D327-A331 WeakPolarHBondContact O-CB 3.02Å; D327-A331 PolarHBondContact O-N 3.46Å; V328-A331 PolarHBondContact O-N 2.73Å; A331-N334 WeakPolarHBondContact O-CB 3.25Å; A331-N334 PolarHBondContact O-N 3.09Å; A331-I335 WeakPolarHBondContact O-CG1 3.43Å; A331-I335 PolarHBondContact O-N 3.29Å
332	I	95.3	Very high	93.7	Very high	14 Å²	14	72.8 Å²	72.8	7%	0.072	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-43.4	176.3	-67.6	168.3	0	0	0	111	L317 V328 N334 I335 K336 F351 V353	L317-I332 HydrophobicContact CD1-CD1 3.99Å; L317-I332 HydrophobicContact CD1-CG1 3.81Å; V328-I332 HydrophobicContact CG1-CD1 3.75Å; V328-I332 HydrophobicContact CG1-CG1 4.37Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 2.98Å; I332-N334 VanDerWaalsContact C-N 3.26Å; I332-N334 PolarHBondContact O-N 3.49Å; I332-I335 PolarHBondContact O-N 2.86Å; I332-I335 VanDerWaalsContact O-N 3.16Å; I332-K336 HydrophobicContact CG2-CD 4.39Å; I332-K336 HydrophobicContact CG2-CG 4.47Å; I332-K336 WeakPolarHBondContact O-CG 3.07Å; I332-K336 PolarHBondContact O-N 2.97Å; I332-F351 HydrophobicContact CD1-CB 4.37Å; I332-F351 HydrophobicContact CD1-CD1 4.36Å; I332-F351 HydrophobicContact CG1-CD1 4.15Å; I332-F351 HydrophobicContact CG1-CE1 4.49Å; I332-F351 HydrophobicContact CG2-CB 4.34Å; I332-F351 HydrophobicContact CG2-CD1 4.08Å; I332-F351 HydrophobicContact CG2-CD2 3.92Å; I332-F351 HydrophobicContact CG2-CE1 4.33Å; I332-F351 HydrophobicContact CG2-CE2 4.19Å; I332-F351 HydrophobicContact CG2-CG 3.85Å; I332-F351 HydrophobicContact CG2-CZ 4.39Å; I332-V353 HydrophobicContact CD1-CG2 3.5Å
333	A	94.4	Very high	93.6	Very high	53 Å²	53	71 Å²	71	44%	0.438	37%	0.368	S	S	.	.	H	α-helix	trans	-57	-43.2	176.1	0	0	0	0	0	111.1	N329 A330 K336 T337	N329-A333 WeakPolarHBondContact O-CB 3.22Å; N329-A333 PolarHBondContact O-N 2.77Å; A330-A333 PolarHBondContact O-N 3.31Å; A333-K336 PolarHBondContact O-N 2.89Å; A333-T337 WeakPolarHBondContact O-CG2 3.32Å; A333-T337 PolarHBondContact O-N 3.17Å
334	N	95.1	Very high	93.4	Very high	87 Å²	87	70.8 Å²	70.8	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-43.4	175.4	-69.1	-22.2	0	0	0	112.4	A330 A331 I332 K336 T337	A330-N334 VanDerWaalsContact O-CG 3.32Å; A330-N334 PolarHBondContact O-N 2.9Å; A330-N334 PolarHBondContact O-ND2 3.33Å; A331-N334 WeakPolarHBondContact O-CB 3.25Å; A331-N334 PolarHBondContact O-N 3.09Å; I332-N334 VanDerWaalsContact C-N 3.26Å; I332-N334 PolarHBondContact O-N 3.49Å; N334-K336 VanDerWaalsContact C-N 3.31Å; N334-K336 PolarHBondContact O-N 3.19Å; N334-T337 PolarHBondContact O-N 3.21Å; N334-T337 VanDerWaalsContact O-N 3.09Å; N334-T337 PolarHBondContact O-OG1 3.38Å
335	I	94	Very high	93.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.5	-44.3	176.5	-72.1	-59.3	0	0	0	111.3	T292 N293 F296 A331 I332 T337 K338 I341 F351	T292-I335 HydrophobicContact CG2-CD1 4.34Å; T292-I335 HydrophobicContact CG2-CG1 3.78Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.48Å; F296-I335 HydrophobicContact CB-CD1 4.35Å; F296-I335 HydrophobicContact CD1-CG2 4.49Å; F296-I335 HydrophobicContact CD2-CD1 3.64Å; F296-I335 HydrophobicContact CD2-CG1 4.01Å; F296-I335 HydrophobicContact CD2-CG2 4.08Å; F296-I335 HydrophobicContact CE1-CG2 4.19Å; F296-I335 HydrophobicContact CE2-CD1 4.23Å; F296-I335 HydrophobicContact CE2-CG1 4.07Å; F296-I335 HydrophobicContact CE2-CG2 3.77Å; F296-I335 HydrophobicContact CG-CD1 4.14Å; F296-I335 HydrophobicContact CG-CG2 4.43Å; F296-I335 HydrophobicContact CZ-CG2 3.81Å; A331-I335 WeakPolarHBondContact O-CG1 3.43Å; A331-I335 PolarHBondContact O-N 3.29Å; I332-I335 PolarHBondContact O-N 2.86Å; I332-I335 VanDerWaalsContact O-N 3.16Å; I335-T337 PolarHBondContact O-N 3.39Å; I335-T337 VanDerWaalsContact O-N 3.13Å; I335-K338 HydrophobicContact CD1-CD 4.35Å; I335-K338 WeakPolarHBondContact O-CB 3.41Å; I335-K338 PolarHBondContact O-N 3.17Å; I335-I341 HydrophobicContact CD1-CD1 4.09Å; I335-I341 HydrophobicContact CG2-CD1 3.71Å; I335-I341 HydrophobicContact CG2-CG2 4.33Å; I335-F351 HydrophobicContact CG2-CE1 4.22Å; I335-F351 HydrophobicContact CG2-CZ 3.66Å
336	K	91.4	Very high	92.8	Very high	108 Å²	108	72.3 Å²	72.3	47%	0.47	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-19.9	178.2	-70.3	-175.9	177.1	-165.1	0	114	I332 A333 N334 F351	I332-K336 HydrophobicContact CG2-CD 4.39Å; I332-K336 HydrophobicContact CG2-CG 4.47Å; I332-K336 WeakPolarHBondContact O-CG 3.07Å; I332-K336 PolarHBondContact O-N 2.97Å; A333-K336 PolarHBondContact O-N 2.89Å; N334-K336 VanDerWaalsContact C-N 3.31Å; N334-K336 PolarHBondContact O-N 3.19Å; K336-F351 HydrophobicContact CG-CE2 3.99Å
337	T	92.2	Very high	92.1	Very high	107 Å²	107	65.6 Å²	65.6	66%	0.656	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.2	175.5	69.8	0	0	0	0	113.8	A333 N334 I335 R339	A333-T337 WeakPolarHBondContact O-CG2 3.32Å; A333-T337 PolarHBondContact O-N 3.17Å; N334-T337 PolarHBondContact O-N 3.21Å; N334-T337 VanDerWaalsContact O-N 3.09Å; N334-T337 PolarHBondContact O-OG1 3.38Å; I335-T337 PolarHBondContact O-N 3.39Å; I335-T337 VanDerWaalsContact O-N 3.13Å; T337-R339 PolarHBondContact O-N 2.97Å
338	K	92.7	Very high	90.4	Very high	76 Å²	76	66.8 Å²	66.8	33%	0.33	35%	0.346	S	S	.	.			trans	-81	116	-176.5	-65	-171.7	-179.5	-177.1	0	110.9	N293 I335 T340 I341	N293-K338 VanDerWaalsContact OD1-CE 3.25Å; N293-K338 WeakPolarHBondContact OD1-CE 3.47Å; N293-K338 PolarHBondContact OD1-NZ 3.22Å; I335-K338 HydrophobicContact CD1-CD 4.35Å; I335-K338 WeakPolarHBondContact O-CB 3.41Å; I335-K338 PolarHBondContact O-N 3.17Å; K338-T340 PolarHBondContact O-N 2.72Å; K338-T340 VanDerWaalsContact O-N 3.13Å; K338-I341 HydrophobicContact CB-CD1 4.02Å; K338-I341 HydrophobicContact CB-CG1 4.18Å; K338-I341 HydrophobicContact CD-CD1 3.87Å; K338-I341 HydrophobicContact CG-CD1 4.5Å; K338-I341 PolarHBondContact O-N 2.61Å
339	R	89.2	Confident	88.9	Confident	235 Å²	235	72 Å²	72	89%	0.887	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.7	178.7	-63	-176.1	179.8	-170.4	-1.8	114.9	T337 I341	T337-R339 PolarHBondContact O-N 2.97Å; R339-I341 PolarHBondContact O-N 3.03Å
340	T	89.1	Confident	88.1	Confident	93 Å²	93	67.3 Å²	67.3	57%	0.571	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.2	177.7	56.4	0	0	0	0	113.1	K338	K338-T340 PolarHBondContact O-N 2.72Å; K338-T340 VanDerWaalsContact O-N 3.13Å
341	I	91.2	Very high	87.7	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.092	34%	0.342	C	S	.	.			trans	-113.1	102.6	-179	-57.9	176.7	0	0	0	106.3	F296 Y312 I335 K338 R339 F343	F296-I341 HydrophobicContact CB-CD1 3.76Å; F296-I341 HydrophobicContact CD1-CD1 3.63Å; F296-I341 HydrophobicContact CD1-CG1 4.19Å; F296-I341 HydrophobicContact CD1-CG2 4.02Å; F296-I341 HydrophobicContact CE1-CD1 4.34Å; F296-I341 HydrophobicContact CE1-CG2 3.92Å; F296-I341 HydrophobicContact CG-CD1 3.73Å; Y312-I341 HydrophobicContact CD2-CG2 3.85Å; Y312-I341 HydrophobicContact CE2-CG2 3.79Å; I335-I341 HydrophobicContact CD1-CD1 4.09Å; I335-I341 HydrophobicContact CG2-CD1 3.71Å; I335-I341 HydrophobicContact CG2-CG2 4.33Å; K338-I341 HydrophobicContact CB-CD1 4.02Å; K338-I341 HydrophobicContact CB-CG1 4.18Å; K338-I341 HydrophobicContact CD-CD1 3.87Å; K338-I341 HydrophobicContact CG-CD1 4.5Å; K338-I341 PolarHBondContact O-N 2.61Å; R339-I341 PolarHBondContact O-N 3.03Å; I341-F343 HydrophobicContact CG2-CD2 4.38Å; I341-F343 HydrophobicContact CG2-CE2 3.64Å; I341-F343 HydrophobicContact CG2-CZ 4.31Å
342	Q	91.5	Very high	87.5	Confident	102 Å²	102	69.4 Å²	69.4	48%	0.477	36%	0.355	S	S	.	.			trans	-105.6	138.3	-177.4	-61.9	-173.2	-2.5	0	0	109.9	K311 Y312	K311-Q342 WeakPolarHBondContact CA-O 3.31Å; K311-Q342 HydrophobicContact CG-CB 4.11Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.25Å; Y312-Q342 PolarHBondContact N-O 2.74Å
343	F	91.8	Very high	87.3	Confident	47 Å²	47	69.8 Å²	69.8	21%	0.206	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-112.5	152.4	172.7	-72.5	-97.9	0	0	0	108.6	Y312 V315 I341 F351	Y312-F343 HydrophobicContact CG-CE1 4.41Å; Y312-F343 HydrophobicContact CG-CZ 4.49Å; Y312-F343 VanDerWaalsContact O-CA 3.27Å; Y312-F343 WeakPolarHBondContact O-CA 3.09Å; Y312-F343 WeakPolarHBondContact O-CD1 3.27Å; V315-F343 HydrophobicContact CG2-CE1 3.76Å; V315-F343 HydrophobicContact CG2-CZ 3.96Å; I341-F343 HydrophobicContact CG2-CD2 4.38Å; I341-F343 HydrophobicContact CG2-CE2 3.64Å; I341-F343 HydrophobicContact CG2-CZ 4.31Å; F343-F351 HydrophobicContact CE1-CD2 4.48Å; F343-F351 AromaticContact CE1-CE2 3.98Å; F343-F351 HydrophobicContact CE1-CE2 3.98Å; F343-F351 HydrophobicContact CE1-CZ 4.37Å; F343-F351 AromaticContact CE2-CE2 3.75Å; F343-F351 HydrophobicContact CE2-CE2 3.75Å; F343-F351 AromaticContact CE2-CZ 3.98Å; F343-F351 HydrophobicContact CE2-CZ 3.98Å; F343-F351 HydrophobicContact CZ-CD2 4.16Å; F343-F351 HydrophobicContact CZ-CE1 4.4Å; F343-F351 AromaticContact CZ-CE2 3.26Å; F343-F351 HydrophobicContact CZ-CE2 3.26Å; F343-F351 AromaticContact CZ-CZ 3.41Å; F343-F351 HydrophobicContact CZ-CZ 3.41Å; F343-F351 VanDerWaalsContact CZ-CZ 3.41Å
344	V	91.3	Very high	87.2	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.024	34%	0.34	C	S	.	.			trans	-59.8	145.6	166	-61.6	0	0	0	0	110.2	K311 Y312 M313 W346 C347	K311-V344 HydrophobicContact CB-CG1 3.84Å; K311-V344 HydrophobicContact CD-CG1 4.42Å; Y312-V344 PolarHBondContact O-N 3.33Å; Y312-V344 VanDerWaalsContact O-N 3.09Å; M313-V344 HydrophobicContact CB-CG2 4.48Å; M313-V344 HydrophobicContact CG-CG1 3.85Å; M313-V344 HydrophobicContact CG-CG2 4.31Å; V344-W346 VanDerWaalsContact C-N 3.34Å; V344-W346 HydrophobicContact CB-CD2 4.27Å; V344-W346 HydrophobicContact CB-CZ2 4.05Å; V344-W346 HydrophobicContact CG1-CZ2 4.24Å; V344-W346 HydrophobicContact CG2-CD2 3.62Å; V344-W346 HydrophobicContact CG2-CE3 3.91Å; V344-W346 HydrophobicContact CG2-CG 4.27Å; V344-W346 HydrophobicContact CG2-CH2 3.74Å; V344-W346 HydrophobicContact CG2-CZ2 3.43Å; V344-W346 VanDerWaalsContact CG2-CZ2 3.43Å; V344-W346 HydrophobicContact CG2-CZ3 3.96Å; V344-W346 PolarHBondContact O-N 3.22Å; V344-C347 HydrophobicContact CG2-CB 3.38Å; V344-C347 PolarHBondContact O-N 3.31Å
345	D	86.9	Confident	87.1	Confident	66 Å²	66	63.6 Å²	63.6	35%	0.353	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.4	-173.3	59.3	-11.7	0	0	0	113.6	C347 S439	D345-C347 PolarHBondContact O-N 2.79Å; D345-S439 WeakPolarHBondContact OD2-CB 3.41Å; D345-S439 PolarHBondContact OD2-N 3.28Å; D345-S439 PolarHBondContact OD2-OG 3.14Å
346	W	86.3	Confident	87	Confident	108 Å²	108	63.9 Å²	63.9	41%	0.409	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.1	176.2	55	-101.1	0	0	0	113.5	P261 M313 V344 P348 V435	P261-W346 HydrophobicContact CB-CH2 3.74Å; P261-W346 HydrophobicContact CB-CZ3 4.25Å; P261-W346 HydrophobicContact CG-CH2 4.08Å; M313-W346 HydrophobicContact CB-CH2 3.91Å; M313-W346 HydrophobicContact CB-CZ2 4.36Å; M313-W346 HydrophobicContact CG-CH2 4.05Å; M313-W346 HydrophobicContact CG-CZ2 3.99Å; V344-W346 VanDerWaalsContact C-N 3.34Å; V344-W346 HydrophobicContact CB-CD2 4.27Å; V344-W346 HydrophobicContact CB-CZ2 4.05Å; V344-W346 HydrophobicContact CG1-CZ2 4.24Å; V344-W346 HydrophobicContact CG2-CD2 3.62Å; V344-W346 HydrophobicContact CG2-CE3 3.91Å; V344-W346 HydrophobicContact CG2-CG 4.27Å; V344-W346 HydrophobicContact CG2-CH2 3.74Å; V344-W346 HydrophobicContact CG2-CZ2 3.43Å; V344-W346 VanDerWaalsContact CG2-CZ2 3.43Å; V344-W346 HydrophobicContact CG2-CZ3 3.96Å; V344-W346 PolarHBondContact O-N 3.22Å; W346-P348 WeakPolarHBondContact O-CD 3.5Å; W346-V435 HydrophobicContact CZ2-CG1 3.61Å
347	C	79.7	Confident	87	Confident	21 Å²	21	65.1 Å²	65.1	14%	0.142	32%	0.323	C	S	.	.			trans	-113.1	69.4	175.7	-163.4	0	0	0	0	113	M313 V344 D345 T349 G350	M313-C347 PolarHBondContact O-SG 3.21Å; V344-C347 HydrophobicContact CG2-CB 3.38Å; V344-C347 PolarHBondContact O-N 3.31Å; D345-C347 PolarHBondContact O-N 2.79Å; C347-T349 VanDerWaalsContact C-N 3.27Å; C347-T349 PolarHBondContact O-N 3.23Å; C347-G350 WeakPolarHBondContact SG-CA 3.42Å
348	P	60.8	Low	87	Confident	102 Å²	102	63.7 Å²	63.7	66%	0.662	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.6	-176.4	27.8	-35.4	0	0	0	113.5	W346	W346-P348 WeakPolarHBondContact O-CD 3.5Å
349	T	65.6	Low	87.1	Confident	110 Å²	110	62.1 Å²	62.1	68%	0.675	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	44.2	-176.8	57.6	0	0	0	0	112	C347 F351	C347-T349 VanDerWaalsContact C-N 3.27Å; C347-T349 PolarHBondContact O-N 3.23Å; T349-F351 PolarHBondContact O-N 3.39Å
350	G	77.8	Confident	87.3	Confident	9 Å²	9	51.3 Å²	51.3	9%	0.093	27%	0.267	C	S	.	.			trans	-67.9	21.5	-172.9	0	0	0	0	0	117.8	V315 C347	V315-G350 WeakPolarHBondContact CA-O 3.45Å; V315-G350 WeakPolarHBondContact CB-O 3.38Å; V315-G350 PolarHBondContact N-O 3.01Å; C347-G350 WeakPolarHBondContact SG-CA 3.42Å
351	F	89.5	Confident	87.6	Confident	32 Å²	32	48.3 Å²	48.3	14%	0.14	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.4	177.6	-72.3	-93.7	0	0	0	111	F296 V315 L317 I332 I335 K336 F343 T349	F296-F351 HydrophobicContact CE2-CE1 4.07Å; F296-F351 AromaticContact CZ-CE1 3.59Å; F296-F351 HydrophobicContact CZ-CE1 3.59Å; F296-F351 AromaticContact CZ-CZ 3.89Å; F296-F351 HydrophobicContact CZ-CZ 3.89Å; V315-F351 HydrophobicContact CB-CD1 4.17Å; V315-F351 HydrophobicContact CB-CE1 4.28Å; V315-F351 HydrophobicContact CG1-CD1 4.02Å; V315-F351 HydrophobicContact CG1-CE1 4.01Å; V315-F351 CarbonylContact O-C 3.56Å; V315-F351 VanDerWaalsContact O-CA 3.32Å; V315-F351 WeakPolarHBondContact O-CA 3.14Å; L317-F351 HydrophobicContact CD1-CD1 3.78Å; L317-F351 HydrophobicContact CD1-CE1 4.11Å; L317-F351 HydrophobicContact CG-CD1 4.22Å; I332-F351 HydrophobicContact CD1-CB 4.37Å; I332-F351 HydrophobicContact CD1-CD1 4.36Å; I332-F351 HydrophobicContact CG1-CD1 4.15Å; I332-F351 HydrophobicContact CG1-CE1 4.49Å; I332-F351 HydrophobicContact CG2-CB 4.34Å; I332-F351 HydrophobicContact CG2-CD1 4.08Å; I332-F351 HydrophobicContact CG2-CD2 3.92Å; I332-F351 HydrophobicContact CG2-CE1 4.33Å; I332-F351 HydrophobicContact CG2-CE2 4.19Å; I332-F351 HydrophobicContact CG2-CG 3.85Å; I332-F351 HydrophobicContact CG2-CZ 4.39Å; I335-F351 HydrophobicContact CG2-CE1 4.22Å; I335-F351 HydrophobicContact CG2-CZ 3.66Å; K336-F351 HydrophobicContact CG-CE2 3.99Å; F343-F351 HydrophobicContact CE1-CD2 4.48Å; F343-F351 AromaticContact CE1-CE2 3.98Å; F343-F351 HydrophobicContact CE1-CE2 3.98Å; F343-F351 HydrophobicContact CE1-CZ 4.37Å; F343-F351 AromaticContact CE2-CE2 3.75Å; F343-F351 HydrophobicContact CE2-CE2 3.75Å; F343-F351 AromaticContact CE2-CZ 3.98Å; F343-F351 HydrophobicContact CE2-CZ 3.98Å; F343-F351 HydrophobicContact CZ-CD2 4.16Å; F343-F351 HydrophobicContact CZ-CE1 4.4Å; F343-F351 AromaticContact CZ-CE2 3.26Å; F343-F351 HydrophobicContact CZ-CE2 3.26Å; F343-F351 AromaticContact CZ-CZ 3.41Å; F343-F351 HydrophobicContact CZ-CZ 3.41Å; F343-F351 VanDerWaalsContact CZ-CZ 3.41Å; T349-F351 PolarHBondContact O-N 3.39Å
352	K	91	Very high	87.5	Confident	66 Å²	66	48.9 Å²	48.9	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.9	162.5	-175.4	75.8	175.8	-148.9	0	108.6	E254 N258 V315 C316 L317	E254-K352 WeakPolarHBondContact OE2-CE 3.46Å; E254-K352 IonicContact OE2-NZ 3.86Å; E254-K352 PolarHBondContact OE2-NZ 3.4Å; N258-K352 HydrophobicContact CB-CG 4.46Å; V315-K352 PolarHBondContact O-N 2.85Å; C316-K352 CarbonylContact C-O 3.59Å; C316-K352 WeakPolarHBondContact CA-O 3.25Å; C316-K352 HydrophobicContact CB-CB 4.43Å; L317-K352 PolarHBondContact N-O 3.21Å
353	V	92.1	Very high	87.5	Confident	21 Å²	21	45 Å²	45	13%	0.127	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.3	-178.7	177.6	0	0	0	0	109.2	L248 L317 Y319 V328 I332 I355	L248-V353 VanDerWaalsContact CB-O 3.26Å; L248-V353 WeakPolarHBondContact CB-O 3.47Å; L248-V353 HydrophobicContact CD1-CB 4.36Å; L248-V353 HydrophobicContact CD1-CG1 4.41Å; L248-V353 WeakPolarHBondContact CD1-O 3.29Å; L317-V353 WeakPolarHBondContact O-CA 3.37Å; Y319-V353 HydrophobicContact CD2-CG1 4.1Å; Y319-V353 HydrophobicContact CE2-CG1 4.23Å; V328-V353 HydrophobicContact CG1-CG1 3.77Å; V328-V353 HydrophobicContact CG1-CG2 3.96Å; I332-V353 HydrophobicContact CD1-CG2 3.5Å; V353-I355 HydrophobicContact CG1-CD1 4.26Å; V353-I355 HydrophobicContact CG1-CG1 3.9Å
354	G	92.1	Very high	87.3	Confident	7 Å²	7	47.6 Å²	47.6	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.3	164.9	0	0	0	0	0	109.8	L317 Y319	L317-G354 PolarHBondContact O-N 2.82Å; Y319-G354 PolarHBondContact N-O 3.35Å
355	I	93.5	Very high	87	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116	177.5	-56.6	174	0	0	0	109	G246 A247 V323 P325 V328 V353 Y357	G246-I355 CarbonylContact C-O 3.46Å; G246-I355 WeakPolarHBondContact CA-O 3.37Å; A247-I355 PolarHBondContact N-O 3.38Å; A247-I355 PolarHBondContact O-N 3.16Å; A247-I355 VanDerWaalsContact O-O 3.05Å; V323-I355 HydrophobicContact CB-CG2 4.32Å; P325-I355 HydrophobicContact CB-CD1 4.23Å; P325-I355 HydrophobicContact CG-CD1 3.84Å; V328-I355 HydrophobicContact CG2-CD1 4.16Å; V353-I355 HydrophobicContact CG1-CD1 4.26Å; V353-I355 HydrophobicContact CG1-CG1 3.9Å; I355-Y357 HydrophobicContact CG2-CD1 4.32Å; I355-Y357 HydrophobicContact CG2-CE1 4.09Å
356	N	92.3	Very high	86.9	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.032	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.5	174.8	-168.6	-71.5	0	0	0	109.5	A240 F244 Y319 R320 G321 Q358	A240-N356 HydrophobicContact CB-CB 4.26Å; A240-N356 PolarHBondContact O-ND2 3.38Å; F244-N356 PolarHBondContact O-ND2 2.89Å; Y319-N356 PolarHBondContact O-N 3.36Å; R320-N356 CarbonylContact C-O 3.03Å; R320-N356 WeakPolarHBondContact CA-O 3.37Å; G321-N356 PolarHBondContact N-O 3.06Å; N356-Q358 VanDerWaalsContact C-N 3.25Å; N356-Q358 PolarHBondContact O-N 3.12Å; N356-Q358 VanDerWaalsContact OD1-CB 3.28Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.45Å; N356-Q358 PolarHBondContact OD1-N 3.24Å
357	Y	91	Very high	86.9	Confident	134 Å²	134	46.6 Å²	46.6	53%	0.525	29%	0.289	S	S	.	.	S	Bend	trans	-76.1	-14.6	-172.9	-57.2	-54.6	0	0	0	113.5	I355 P359	I355-Y357 HydrophobicContact CG2-CD1 4.32Å; I355-Y357 HydrophobicContact CG2-CE1 4.09Å; Y357-P359 WeakPolarHBondContact O-CD 3.37Å
358	Q	91.7	Very high	87.4	Confident	77 Å²	77	47 Å²	47	36%	0.36	29%	0.289	S	S	.	.	S	Bend	trans	-75.1	120.3	176.2	-172.2	64	13.9	0	0	109.4	F244 R320 G321 N356	F244-Q358 HydrophobicContact CD2-CB 4.25Å; F244-Q358 HydrophobicContact CD2-CG 4.4Å; F244-Q358 HydrophobicContact CE2-CG 4.43Å; F244-Q358 HydrophobicContact CG-CB 4.25Å; R320-Q358 PolarHBondContact NE-O 2.72Å; R320-Q358 PolarHBondContact NH2-O 3.17Å; G321-Q358 PolarHBondContact N-O 3.29Å; N356-Q358 VanDerWaalsContact C-N 3.25Å; N356-Q358 PolarHBondContact O-N 3.12Å; N356-Q358 VanDerWaalsContact OD1-CB 3.28Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.45Å; N356-Q358 PolarHBondContact OD1-N 3.24Å
359	P	94	Very high	88.7	Confident	44 Å²	44	42.8 Å²	42.8	29%	0.286	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-63.7	161.2	173.9	27.7	-34.6	0	0	0	111	R320 Y357	R320-P359 PolarHBondContact NH2-O 3.36Å; Y357-P359 WeakPolarHBondContact O-CD 3.37Å
360	P	94.3	Very high	89.9	Confident	8 Å²	8	45.9 Å²	45.9	5%	0.052	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-61.8	140.8	172	-17.4	30.3	0	0	0	111.2	R320 V371 A374	R320-P360 HydrophobicContact CB-CG 3.93Å; P360-V371 HydrophobicContact CG-CG2 4.1Å; P360-A374 HydrophobicContact CG-CB 3.41Å; P360-A374 VanDerWaalsContact CG-CB 3.41Å
361	T	94.4	Very high	90.7	Very high	30 Å²	30	46 Å²	46	18%	0.184	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-89.3	130.6	175.5	-67.2	0	0	0	0	110.3	L23 L26 E27 Q233	L23-T361 HydrophobicContact CD1-CG2 4.12Å; L23-T361 VanDerWaalsContact CD1-O 3.26Å; L23-T361 WeakPolarHBondContact CD1-O 3.3Å; L26-T361 HydrophobicContact CB-CG2 3.76Å; E27-T361 HydrophobicContact CG-CG2 4.31Å; E27-T361 VanDerWaalsContact CG-OG1 3.26Å; E27-T361 WeakPolarHBondContact CG-OG1 3.49Å; Q233-T361 PolarHBondContact NE2-O 3.07Å
362	A	90.4	Very high	90.8	Very high	30 Å²	30	47.7 Å²	47.7	25%	0.248	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-86.9	135.8	172	0	0	0	0	0	110.2	K370	A362-K370 HydrophobicContact CB-CB 4.02Å
363	V	90.9	Very high	91	Very high	20 Å²	20	47 Å²	47	12%	0.121	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-73.3	127.8	174.1	-179.5	0	0	0	0	108.8	E22 L26 G365 G366	E22-V363 HydrophobicContact CG-CG1 4.31Å; L26-V363 HydrophobicContact CD1-CB 4.29Å; L26-V363 HydrophobicContact CD1-CG1 4.27Å; L26-V363 HydrophobicContact CD1-CG2 4.06Å; V363-G365 PolarHBondContact O-N 3.49Å; V363-G366 WeakPolarHBondContact O-CA 3.46Å; V363-G366 PolarHBondContact O-N 3.34Å
364	P	87.6	Confident	91.3	Very high	101 Å²	101	46 Å²	46	66%	0.656	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	126.9	176.9	-26.2	34.7	0	0	0	112.1	L26 G366	L26-P364 HydrophobicContact CD2-CG 4.41Å; P364-G366 PolarHBondContact O-N 3.47Å
365	G	85	Confident	91.5	Very high	89 Å²	89	45.7 Å²	45.7	92%	0.918	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	9.6	-175.4	0	0	0	0	0	114.7	V363	V363-G365 PolarHBondContact O-N 3.49Å
366	G	84.9	Confident	91.7	Very high	19 Å²	19	45.5 Å²	45.5	20%	0.196	27%	0.265	C	S	.	.			trans	-80	169.1	172.6	0	0	0	0	0	113	V363 P364	V363-G366 WeakPolarHBondContact O-CA 3.46Å; V363-G366 PolarHBondContact O-N 3.34Å; P364-G366 PolarHBondContact O-N 3.47Å
367	D	85.9	Confident	91.9	Very high	50 Å²	50	45.2 Å²	45.2	27%	0.267	26%	0.264	S	S	.	.	S	Bend	trans	-83.8	-22.7	-172.4	-38.8	-80.2	0	0	0	113.4	I217 I219 N226 R229	I217-D367 HydrophobicContact CG2-CB 3.69Å; I219-D367 HydrophobicContact CD1-CB 3.86Å; N226-D367 VanDerWaalsContact ND2-CG 3.26Å; N226-D367 PolarHBondContact ND2-OD1 3.11Å; N226-D367 PolarHBondContact ND2-OD2 2.87Å; R229-D367 IonicContact NH1-OD2 3.62Å
368	L	89.4	Confident	92.1	Very high	30 Å²	30	38.9 Å²	38.9	16%	0.157	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-82.5	134.3	-179.9	-66.9	174.2	0	0	0	111	I217 L230 Q233 V275	I217-L368 HydrophobicContact CD1-CD2 3.7Å; I217-L368 HydrophobicContact CG1-CD2 4.34Å; L230-L368 HydrophobicContact CD1-CD1 4.26Å; Q233-L368 HydrophobicContact CG-CD1 3.72Å; V275-L368 HydrophobicContact CG1-CD2 4.02Å
369	A	89.7	Confident	92.2	Very high	13 Å²	13	35.2 Å²	35.2	11%	0.107	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.8	152.6	174.9	0	0	0	0	0	112.3	I276 A281 V371	I276-A369 HydrophobicContact CG2-CB 3.95Å; I276-A369 PolarHBondContact O-N 3.39Å; A281-A369 HydrophobicContact CB-CB 3.39Å; A369-V371 HydrophobicContact CB-CG1 4.42Å; A369-V371 PolarHBondContact O-N 3.02Å
370	K	91.1	Very high	92.2	Very high	175 Å²	175	33.1 Å²	33.1	76%	0.761	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-70.9	121.5	163.5	-173.9	176.1	-178.3	176.5	0	109	A362	A362-K370 HydrophobicContact CB-CB 4.02Å
371	V	93.2	Very high	92.3	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.067	21%	0.205	C	C	.	.			trans	-119.5	146	-179.1	-65.4	0	0	0	0	111	P274 I276 L286 P360 A369 R373 A374	P274-V371 HydrophobicContact CG-CB 4.45Å; P274-V371 HydrophobicContact CG-CG1 4.02Å; P274-V371 HydrophobicContact CG-CG2 4.48Å; I276-V371 HydrophobicContact CG2-CG1 3.97Å; L286-V371 HydrophobicContact CD1-CB 4.26Å; L286-V371 HydrophobicContact CD1-CG1 3.83Å; P360-V371 HydrophobicContact CG-CG2 4.1Å; A369-V371 HydrophobicContact CB-CG1 4.42Å; A369-V371 PolarHBondContact O-N 3.02Å; V371-R373 VanDerWaalsContact C-N 3.27Å; V371-R373 WeakPolarHBondContact CG2-O 3.41Å; V371-R373 PolarHBondContact O-N 3.43Å; V371-A374 HydrophobicContact CG2-CB 4.45Å
372	P	93.3	Very high	92.3	Very high	67 Å²	67	31.9 Å²	31.9	44%	0.435	20%	0.2	S	C	.	.	S	Bend	trans	-74.4	-21.2	179.4	30.8	-35.5	0	0	0	112.5	G321 D322	G321-P372 WeakPolarHBondContact CA-O 3.44Å; D322-P372 PolarHBondContact N-O 3.36Å
373	R	95.3	Very high	92.5	Very high	52 Å²	52	30.5 Å²	30.5	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.7	177.8	63.3	-169.6	78	124.4	-3.5	112.4	L286 I291 R320 D322 V323 V371	L286-R373 VanDerWaalsContact O-CD 3.27Å; L286-R373 WeakPolarHBondContact O-CD 3.4Å; L286-R373 PolarHBondContact O-NH1 3.39Å; I291-R373 HydrophobicContact CD1-CG 4.15Å; R320-R373 CarbonylContact O-C 3.28Å; R320-R373 WeakPolarHBondContact O-CA 3.38Å; R320-R373 WeakPolarHBondContact O-CB 3.35Å; D322-R373 PolarHBondContact O-NE 2.86Å; D322-R373 WeakPolarHBondContact OD1-CB 2.99Å; D322-R373 IonicContact OD1-CZ 2.75Å; D322-R373 IonicContact OD1-NE 3.16Å; D322-R373 PolarHBondContact OD1-NE 3.36Å; D322-R373 IonicContact OD1-NH2 3.33Å; D322-R373 PolarHBondContact OD1-NH2 3.44Å; D322-R373 VanDerWaalsContact OD1-NH2 3.16Å; D322-R373 IonicContact OD2-CZ 2.69Å; D322-R373 IonicContact OD2-NE 2.7Å; D322-R373 IonicContact OD2-NH2 3.65Å; D322-R373 PolarHBondContact OD2-NH2 3.2Å; V323-R373 HydrophobicContact CG2-CB 3.92Å; V371-R373 VanDerWaalsContact C-N 3.27Å; V371-R373 WeakPolarHBondContact CG2-O 3.41Å; V371-R373 PolarHBondContact O-N 3.43Å
374	A	96.4	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	171.6	168.9	0	0	0	0	0	110.8	Y272 A273 Y319 R320 P360 V371	Y272-A374 HydrophobicContact CE1-CB 4.26Å; Y272-A374 HydrophobicContact CE2-CB 4.22Å; Y272-A374 WeakPolarHBondContact OH-CB 3.47Å; A273-A374 CarbonylContact O-C 3.55Å; A273-A374 VanDerWaalsContact O-CA 3.26Å; A273-A374 WeakPolarHBondContact O-CA 3.27Å; A273-A374 WeakPolarHBondContact O-CB 3.32Å; Y319-A374 WeakPolarHBondContact CA-O 3.44Å; R320-A374 PolarHBondContact N-O 2.86Å; R320-A374 PolarHBondContact O-N 3.12Å; P360-A374 HydrophobicContact CG-CB 3.41Å; P360-A374 VanDerWaalsContact CG-CB 3.41Å; V371-A374 HydrophobicContact CG2-CB 4.45Å
375	L	97.2	Very high	93	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.5	177.7	170.9	61.1	0	0	0	108.5	Y272 A273 I291 T292 C295 L317 L318 Y319	Y272-L375 WeakPolarHBondContact CA-O 3.4Å; A273-L375 PolarHBondContact N-O 3.17Å; A273-L375 PolarHBondContact O-N 2.8Å; I291-L375 HydrophobicContact CB-CB 4.43Å; I291-L375 HydrophobicContact CD1-CB 3.98Å; I291-L375 HydrophobicContact CG1-CB 4.15Å; T292-L375 HydrophobicContact CG2-CD2 4.44Å; C295-L375 HydrophobicContact CB-CD2 4.03Å; C295-L375 VanDerWaalsContact SG-CD2 3.56Å; C295-L375 VanDerWaalsContact SG-CG 3.59Å; L317-L375 HydrophobicContact CB-CD1 3.79Å; L317-L375 HydrophobicContact CD2-CD1 4.19Å; L317-L375 HydrophobicContact CD2-CD2 4.28Å; L318-L375 WeakPolarHBondContact O-CA 3.48Å; Y319-L375 HydrophobicContact CD1-CB 4.06Å; Y319-L375 HydrophobicContact CD1-CD1 3.91Å; Y319-L375 HydrophobicContact CD1-CG 4.38Å; Y319-L375 HydrophobicContact CD2-CD1 3.98Å; Y319-L375 HydrophobicContact CE1-CB 4.08Å; Y319-L375 HydrophobicContact CE1-CD1 3.82Å; Y319-L375 HydrophobicContact CE1-CD2 3.8Å; Y319-L375 HydrophobicContact CE1-CG 4.11Å; Y319-L375 HydrophobicContact CE2-CD1 3.89Å; Y319-L375 HydrophobicContact CG-CD1 4Å
376	C	96.9	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.5	162.2	-177.8	0	0	0	0	108.1	S237 T271 Y272 L318	S237-C376 VanDerWaalsContact CB-CB 3.45Å; T271-C376 CarbonylContact O-C 3.58Å; T271-C376 WeakPolarHBondContact O-CA 3.43Å; Y272-C376 HydrophobicContact CD2-CB 4.06Å; L318-C376 HydrophobicContact CB-CB 4.24Å; L318-C376 WeakPolarHBondContact CB-O 3.2Å; L318-C376 PolarHBondContact N-O 3.04Å; L318-C376 PolarHBondContact O-N 3.49Å
377	M	96.5	Very high	93.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.6	174.6	179.9	177.5	85.7	0	0	109.1	V270 T271 C295 F296 V315 C316 L317	V270-M377 WeakPolarHBondContact CA-O 3.32Å; T271-M377 PolarHBondContact N-O 3.31Å; T271-M377 PolarHBondContact O-N 2.64Å; C295-M377 HydrophobicContact CB-CB 3.83Å; C295-M377 HydrophobicContact CB-CE 4.45Å; C295-M377 HydrophobicContact CB-SD 4Å; C295-M377 WeakPolarHBondContact O-CE 3.5Å; F296-M377 HydrophobicContact CD1-CE 4.44Å; F296-M377 HydrophobicContact CD1-SD 4.19Å; F296-M377 HydrophobicContact CD2-SD 3.99Å; F296-M377 HydrophobicContact CE1-SD 3.89Å; F296-M377 HydrophobicContact CE2-SD 3.66Å; F296-M377 HydrophobicContact CG-SD 4.25Å; F296-M377 HydrophobicContact CZ-SD 3.61Å; V315-M377 HydrophobicContact CG1-CG 3.86Å; V315-M377 HydrophobicContact CG1-SD 3.96Å; C316-M377 WeakPolarHBondContact O-CA 3.49Å; L317-M377 HydrophobicContact CD2-CB 3.99Å; L317-M377 HydrophobicContact CD2-CG 3.72Å; L317-M377 HydrophobicContact CD2-SD 4.06Å
378	L	95.3	Very high	94.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.8	169.5	-49.8	172.4	0	0	0	107	F202 I238 F255 L259 L269 V270 V315 C316 L318	F202-L378 HydrophobicContact CD1-CD1 4.37Å; F202-L378 HydrophobicContact CD1-CD2 4.02Å; F202-L378 HydrophobicContact CE1-CD1 3.71Å; F202-L378 HydrophobicContact CE1-CD2 4.2Å; F202-L378 HydrophobicContact CE1-CG 4.39Å; F202-L378 HydrophobicContact CZ-CD1 4.17Å; I238-L378 HydrophobicContact CD1-CD1 3.9Å; I238-L378 HydrophobicContact CD1-CD2 3.5Å; I238-L378 HydrophobicContact CD1-CG 4.29Å; I238-L378 HydrophobicContact CG1-CD1 4.06Å; I238-L378 HydrophobicContact CG1-CD2 4.09Å; F255-L378 HydrophobicContact CD1-CD1 3.85Å; F255-L378 HydrophobicContact CE1-CD1 3.55Å; F255-L378 HydrophobicContact CZ-CD1 4.48Å; L259-L378 HydrophobicContact CD1-CB 3.82Å; L259-L378 HydrophobicContact CD1-CD1 3.97Å; L259-L378 HydrophobicContact CD2-CB 4.26Å; L269-L378 CarbonylContact O-C 2.94Å; L269-L378 WeakPolarHBondContact O-CA 3.44Å; V270-L378 HydrophobicContact CB-CD2 4.46Å; V270-L378 HydrophobicContact CG1-CD2 4.15Å; V270-L378 HydrophobicContact CG2-CD2 3.89Å; V315-L378 CarbonylContact C-O 3.45Å; V315-L378 WeakPolarHBondContact CA-O 3.21Å; C316-L378 HydrophobicContact CB-CB 4.26Å; C316-L378 PolarHBondContact N-O 3.36Å; C316-L378 PolarHBondContact O-N 3.16Å; L318-L378 HydrophobicContact CD1-CD1 3.92Å; L318-L378 HydrophobicContact CD1-CG 4.41Å
379	S	94.9	Very high	94.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	122.9	-176.3	61.2	0	0	0	0	111.9	P268 L269 A314	P268-S379 WeakPolarHBondContact CA-O 3.26Å; L269-S379 PolarHBondContact N-O 2.85Å; L269-S379 PolarHBondContact O-N 3.42Å; A314-S379 CarbonylContact O-C 3.44Å; A314-S379 VanDerWaalsContact O-CA 3.23Å; A314-S379 WeakPolarHBondContact O-CA 3.43Å
380	N	94.7	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.6	169.6	-159.6	-12.5	0	0	0	108.5	L259 I265 M313 A314	L259-N380 VanDerWaalsContact O-CB 3.24Å; L259-N380 WeakPolarHBondContact O-CB 3.35Å; L259-N380 PolarHBondContact O-ND2 3.33Å; I265-N380 PolarHBondContact O-ND2 3.33Å; M313-N380 HydrophobicContact CE-CB 4.34Å; M313-N380 WeakPolarHBondContact CE-OD1 3.14Å; M313-N380 PolarHBondContact N-O 3.43Å; A314-N380 HydrophobicContact CB-CB 4.37Å; A314-N380 PolarHBondContact N-O 2.82Å; A314-N380 PolarHBondContact O-N 2.86Å
381	T	94.9	Very high	94.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.6	-173.9	174.3	0	0	0	0	110.3	L269 K311 A383 I384	L269-T381 HydrophobicContact CD1-CG2 3.25Å; L269-T381 HydrophobicContact CG-CG2 3.71Å; K311-T381 VanDerWaalsContact O-CA 3.32Å; K311-T381 WeakPolarHBondContact O-CA 3.21Å; K311-T381 PolarHBondContact O-OG1 3.48Å; T381-A383 HydrophobicContact CG2-CB 4.08Å; T381-A383 PolarHBondContact O-N 3.19Å; T381-A383 VanDerWaalsContact O-N 3.17Å; T381-A383 PolarHBondContact OG1-N 3.41Å; T381-I384 VanDerWaalsContact O-CG2 3.25Å; T381-I384 WeakPolarHBondContact O-CG2 3.21Å; T381-I384 PolarHBondContact O-N 3.38Å
382	T	95.3	Very high	94.8	Very high	12 Å²	12	16.5 Å²	16.5	7%	0.074	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-66.4	-14.1	176.7	63.2	0	0	0	0	112.9	G310 K311 M313 I384 S385 Y432	G310-T382 VanDerWaalsContact CA-OG1 3.25Å; G310-T382 WeakPolarHBondContact CA-OG1 3.5Å; K311-T382 PolarHBondContact N-OG1 3.36Å; K311-T382 PolarHBondContact O-N 2.85Å; M313-T382 HydrophobicContact CE-CG2 4.07Å; M313-T382 HydrophobicContact CG-CG2 4.5Å; M313-T382 HydrophobicContact SD-CG2 4.3Å; T382-I384 PolarHBondContact O-N 2.92Å; T382-I384 VanDerWaalsContact O-N 3.16Å; T382-S385 VanDerWaalsContact O-CB 3.3Å; T382-S385 WeakPolarHBondContact O-CB 3.39Å; T382-S385 PolarHBondContact O-N 3.25Å; T382-S385 VanDerWaalsContact O-N 3.09Å; T382-S385 PolarHBondContact O-OG 2.86Å; T382-Y432 HydrophobicContact CG2-CD1 4.47Å; T382-Y432 VanDerWaalsContact CG2-O 3.28Å; T382-Y432 WeakPolarHBondContact CG2-O 3.41Å
383	A	95	Very high	94.9	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-63.1	-18.2	175.8	0	0	0	0	0	114	D306 T381 S385 E386	D306-A383 WeakPolarHBondContact O-CB 3.44Å; T381-A383 HydrophobicContact CG2-CB 4.08Å; T381-A383 PolarHBondContact O-N 3.19Å; T381-A383 VanDerWaalsContact O-N 3.17Å; T381-A383 PolarHBondContact OG1-N 3.41Å; A383-S385 PolarHBondContact O-N 3.47Å; A383-E386 PolarHBondContact O-N 3.26Å
384	I	94.9	Very high	94.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21.3	173.9	-168.8	64.5	0	0	0	112.2	F267 L269 V303 T381 T382 E386 A387 W388 Y432	F267-I384 HydrophobicContact CB-CG1 4.5Å; L269-I384 HydrophobicContact CD2-CB 4.35Å; L269-I384 HydrophobicContact CD2-CD1 3.6Å; L269-I384 HydrophobicContact CD2-CG1 4.37Å; V303-I384 HydrophobicContact CG1-CD1 4.16Å; T381-I384 VanDerWaalsContact O-CG2 3.25Å; T381-I384 WeakPolarHBondContact O-CG2 3.21Å; T381-I384 PolarHBondContact O-N 3.38Å; T382-I384 PolarHBondContact O-N 2.92Å; T382-I384 VanDerWaalsContact O-N 3.16Å; I384-E386 PolarHBondContact O-N 3.34Å; I384-E386 VanDerWaalsContact O-N 3.13Å; I384-A387 HydrophobicContact CD1-CB 3.88Å; I384-A387 WeakPolarHBondContact O-CA 2.8Å; I384-A387 VanDerWaalsContact O-CB 3.3Å; I384-A387 WeakPolarHBondContact O-CB 3.26Å; I384-A387 PolarHBondContact O-N 3.41Å; I384-W388 HydrophobicContact CD1-CZ2 4.21Å; I384-W388 HydrophobicContact CG1-CH2 4.14Å; I384-W388 HydrophobicContact CG1-CZ2 3.37Å; I384-W388 HydrophobicContact CG2-CZ2 4.34Å; I384-W388 PolarHBondContact O-N 3.16Å; I384-Y432 HydrophobicContact CG2-CD1 3.88Å; I384-Y432 HydrophobicContact CG2-CD2 4.29Å; I384-Y432 HydrophobicContact CG2-CE1 3.34Å; I384-Y432 HydrophobicContact CG2-CE2 3.86Å; I384-Y432 HydrophobicContact CG2-CG 4.31Å
385	S	93.7	Very high	94.9	Very high	28 Å²	28	19.3 Å²	19.3	20%	0.196	10%	0.098	C	C	.	.	H	α-helix	trans	-52.8	-32.6	172.6	58.7	0	0	0	0	113.2	T382 A383 A387 W388 A389	T382-S385 VanDerWaalsContact O-CB 3.3Å; T382-S385 WeakPolarHBondContact O-CB 3.39Å; T382-S385 PolarHBondContact O-N 3.25Å; T382-S385 VanDerWaalsContact O-N 3.09Å; T382-S385 PolarHBondContact O-OG 2.86Å; A383-S385 PolarHBondContact O-N 3.47Å; S385-A387 PolarHBondContact O-N 3.1Å; S385-W388 PolarHBondContact O-N 2.89Å; S385-A389 PolarHBondContact O-N 3.21Å
386	E	92.7	Very high	94.9	Very high	55 Å²	55	22.4 Å²	22.4	26%	0.257	12%	0.115	S	C	.	.	H	α-helix	trans	-62	-31.3	174.7	-61.5	-174.1	159.3	0	0	112.9	D306 H309 A383 I384 R390	D306-E386 PolarHBondContact N-OE2 3.49Å; H309-E386 VanDerWaalsContact CB-OE1 3.3Å; H309-E386 WeakPolarHBondContact CB-OE1 3.07Å; H309-E386 IonicContact CE1-OE1 2.76Å; H309-E386 IonicContact CG-OE1 2.67Å; H309-E386 IonicContact ND1-OE1 3.61Å; H309-E386 PolarHBondContact ND1-OE1 3.2Å; A383-E386 PolarHBondContact O-N 3.26Å; I384-E386 PolarHBondContact O-N 3.34Å; I384-E386 VanDerWaalsContact O-N 3.13Å; E386-R390 VanDerWaalsContact O-CG 3.28Å; E386-R390 WeakPolarHBondContact O-CG 3.17Å; E386-R390 VanDerWaalsContact O-CZ 3.31Å; E386-R390 PolarHBondContact O-N 3.09Å; E386-R390 PolarHBondContact O-NE 2.95Å; E386-R390 PolarHBondContact O-NH1 3.09Å; E386-R390 VanDerWaalsContact O-NH1 3.16Å
387	A	93.4	Very high	94.8	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-72.8	-42.1	177.7	0	0	0	0	0	111.2	Y172 I384 S385 L391	Y172-A387 HydrophobicContact CD1-CB 4.45Å; Y172-A387 HydrophobicContact CE1-CB 4.01Å; I384-A387 HydrophobicContact CD1-CB 3.88Å; I384-A387 WeakPolarHBondContact O-CA 2.8Å; I384-A387 VanDerWaalsContact O-CB 3.3Å; I384-A387 WeakPolarHBondContact O-CB 3.26Å; I384-A387 PolarHBondContact O-N 3.41Å; S385-A387 PolarHBondContact O-N 3.1Å; A387-L391 PolarHBondContact O-N 3.35Å; A387-L391 VanDerWaalsContact O-N 3.17Å
388	W	94.2	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-51.4	174.5	-46.1	143.8	0	0	0	110.8	Y172 M203 F267 I384 S385 R390 L391 D392 L425 E429 Y432	Y172-W388 HydrophobicContact CD2-CZ3 4.33Å; Y172-W388 HydrophobicContact CE1-CE3 4.21Å; Y172-W388 AromaticContact CE1-CZ3 3.96Å; Y172-W388 HydrophobicContact CE1-CZ3 3.96Å; Y172-W388 HydrophobicContact CE2-CE3 4.23Å; Y172-W388 HydrophobicContact CE2-CH2 4.28Å; Y172-W388 AromaticContact CE2-CZ3 3.42Å; Y172-W388 HydrophobicContact CE2-CZ3 3.42Å; Y172-W388 VanDerWaalsContact CE2-CZ3 3.42Å; Y172-W388 AromaticContact CZ-CE3 3.57Å; Y172-W388 AromaticContact CZ-CZ3 3.2Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.49Å; M203-W388 HydrophobicContact CE-CH2 4.1Å; F267-W388 HydrophobicContact CB-CH2 4.17Å; F267-W388 HydrophobicContact CB-CZ2 3.77Å; F267-W388 AromaticContact CD1-CH2 3.69Å; F267-W388 HydrophobicContact CD1-CH2 3.69Å; F267-W388 HydrophobicContact CD1-CZ2 4.04Å; F267-W388 HydrophobicContact CD2-CH2 4.23Å; F267-W388 AromaticContact CD2-CZ2 3.81Å; F267-W388 HydrophobicContact CD2-CZ2 3.81Å; F267-W388 HydrophobicContact CE1-CH2 4.1Å; F267-W388 HydrophobicContact CE2-CZ2 4.41Å; F267-W388 AromaticContact CG-CH2 3.76Å; F267-W388 HydrophobicContact CG-CH2 3.76Å; F267-W388 AromaticContact CG-CZ2 3.59Å; F267-W388 HydrophobicContact CG-CZ2 3.59Å; I384-W388 HydrophobicContact CD1-CZ2 4.21Å; I384-W388 HydrophobicContact CG1-CH2 4.14Å; I384-W388 HydrophobicContact CG1-CZ2 3.37Å; I384-W388 HydrophobicContact CG2-CZ2 4.34Å; I384-W388 PolarHBondContact O-N 3.16Å; S385-W388 PolarHBondContact O-N 2.89Å; W388-R390 PolarHBondContact O-N 2.72Å; W388-R390 VanDerWaalsContact O-N 3.11Å; W388-L391 WeakPolarHBondContact O-CA 3.38Å; W388-L391 VanDerWaalsContact O-CB 3.32Å; W388-L391 WeakPolarHBondContact O-CB 3.14Å; W388-L391 PolarHBondContact O-N 3.27Å; W388-D392 PolarHBondContact O-N 2.82Å; W388-L425 HydrophobicContact CB-CD1 4.41Å; W388-L425 HydrophobicContact CD2-CD1 4.33Å; W388-L425 HydrophobicContact CE3-CD1 4.14Å; W388-L425 HydrophobicContact CG-CD1 4.4Å; W388-E429 HydrophobicContact CB-CG 3.49Å; W388-E429 VanDerWaalsContact CB-CG 3.49Å; W388-E429 VanDerWaalsContact CB-OE1 3.24Å; W388-E429 WeakPolarHBondContact CB-OE1 3.49Å; W388-E429 HydrophobicContact CG-CG 4.26Å; W388-Y432 AromaticContact NE1-CD2 3.61Å; W388-Y432 AromaticContact NE1-CE2 3.35Å; W388-Y432 VanDerWaalsContact NE1-CE2 3.35Å
389	A	94.1	Very high	94.9	Very high	45 Å²	45	31 Å²	31	37%	0.372	16%	0.156	S	C	.	.	H	α-helix	trans	-60.4	-34.6	-175.1	0	0	0	0	0	112.6	S385 H393 E429	S385-A389 PolarHBondContact O-N 3.21Å; A389-H393 WeakPolarHBondContact O-CB 3.48Å; A389-H393 PolarHBondContact O-N 2.89Å; A389-E429 WeakPolarHBondContact CA-OE1 3.47Å; A389-E429 PolarHBondContact N-OE1 2.73Å
390	R	93.3	Very high	95	Very high	76 Å²	76	35.2 Å²	35.2	29%	0.287	19%	0.191	S	C	.	.	H	α-helix	trans	-71	-38.8	174.2	-71.7	-174.6	-48.2	-106.5	7.8	112.5	K304 E386 W388 K394	K304-R390 VanDerWaalsContact O-CZ 3.31Å; K304-R390 PolarHBondContact O-NH1 2.78Å; K304-R390 VanDerWaalsContact O-NH1 3.14Å; K304-R390 PolarHBondContact O-NH2 3.45Å; E386-R390 VanDerWaalsContact O-CG 3.28Å; E386-R390 WeakPolarHBondContact O-CG 3.17Å; E386-R390 VanDerWaalsContact O-CZ 3.31Å; E386-R390 PolarHBondContact O-N 3.09Å; E386-R390 PolarHBondContact O-NE 2.95Å; E386-R390 PolarHBondContact O-NH1 3.09Å; E386-R390 VanDerWaalsContact O-NH1 3.16Å; W388-R390 PolarHBondContact O-N 2.72Å; W388-R390 VanDerWaalsContact O-N 3.11Å; R390-K394 WeakPolarHBondContact O-CG 3.17Å; R390-K394 PolarHBondContact O-N 3.36Å
391	L	94.1	Very high	95.1	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-48.7	176.8	-177.7	64.5	0	0	0	110	Y172 P173 P184 V188 A387 W388 H393 K394 F395 L425	Y172-L391 WeakPolarHBondContact OH-CD2 3.27Å; P173-L391 HydrophobicContact CG-CD1 4.26Å; P184-L391 HydrophobicContact CB-CD1 4.08Å; V188-L391 HydrophobicContact CG2-CD2 3.67Å; V188-L391 HydrophobicContact CG2-CG 3.82Å; A387-L391 PolarHBondContact O-N 3.35Å; A387-L391 VanDerWaalsContact O-N 3.17Å; W388-L391 WeakPolarHBondContact O-CA 3.38Å; W388-L391 VanDerWaalsContact O-CB 3.32Å; W388-L391 WeakPolarHBondContact O-CB 3.14Å; W388-L391 PolarHBondContact O-N 3.27Å; L391-H393 VanDerWaalsContact C-N 3.35Å; L391-H393 PolarHBondContact O-N 2.96Å; L391-K394 WeakPolarHBondContact O-CB 3.5Å; L391-K394 PolarHBondContact O-N 3.41Å; L391-K394 VanDerWaalsContact O-N 3.11Å; L391-F395 WeakPolarHBondContact O-CB 3.43Å; L391-F395 PolarHBondContact O-N 3.15Å; L391-L425 HydrophobicContact CD2-CD2 3.89Å; L391-L425 HydrophobicContact CG-CD2 4.5Å
392	D	95.4	Very high	95.1	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.011	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-45.9	177.4	-92.4	-4.4	0	0	0	112	W388 K394 F395 D396 R422 L425	W388-D392 PolarHBondContact O-N 2.82Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 2.96Å; D392-F395 WeakPolarHBondContact O-CB 3.41Å; D392-F395 PolarHBondContact O-N 3.07Å; D392-D396 WeakPolarHBondContact O-CB 3.29Å; D392-D396 PolarHBondContact O-N 3.18Å; D392-R422 WeakPolarHBondContact OD1-CD 3.26Å; D392-R422 IonicContact OD1-CZ 3.79Å; D392-R422 IonicContact OD1-NE 3.72Å; D392-R422 PolarHBondContact OD1-NE 2.81Å; D392-R422 IonicContact OD1-NH1 2.78Å; D392-R422 PolarHBondContact OD1-NH1 3.18Å; D392-R422 IonicContact OD2-CZ 3.79Å; D392-R422 IonicContact OD2-NE 3.7Å; D392-R422 IonicContact OD2-NH1 3.98Å; D392-R422 PolarHBondContact OD2-NH1 2.98Å; D392-R422 IonicContact OD2-NH2 2.85Å; D392-R422 PolarHBondContact OD2-NH2 3.33Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.46Å
393	H	95.3	Very high	95.2	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-59.1	-43.6	175.2	-177.7	62.6	0	0	0	112.8	A389 L391 D396 L397	A389-H393 WeakPolarHBondContact O-CB 3.48Å; A389-H393 PolarHBondContact O-N 2.89Å; L391-H393 VanDerWaalsContact C-N 3.35Å; L391-H393 PolarHBondContact O-N 2.96Å; H393-D396 PolarHBondContact O-N 3.45Å; H393-L397 WeakPolarHBondContact O-CG 3.37Å; H393-L397 PolarHBondContact O-N 3.48Å; H393-L397 VanDerWaalsContact O-N 3.16Å
394	K	94.7	Very high	95.2	Very high	63 Å²	63	54 Å²	54	27%	0.274	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-41.6	177.2	-72.5	178.1	178.2	-176.4	0	111.2	A174 P175 P184 R390 L391 D392 M398	A174-K394 PolarHBondContact O-NZ 2.89Å; P175-K394 PolarHBondContact O-NZ 3.14Å; P184-K394 HydrophobicContact CB-CB 4.07Å; P184-K394 HydrophobicContact CG-CB 3.79Å; P184-K394 HydrophobicContact CG-CD 4.37Å; R390-K394 WeakPolarHBondContact O-CG 3.17Å; R390-K394 PolarHBondContact O-N 3.36Å; L391-K394 WeakPolarHBondContact O-CB 3.5Å; L391-K394 PolarHBondContact O-N 3.41Å; L391-K394 VanDerWaalsContact O-N 3.11Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 2.96Å; K394-M398 WeakPolarHBondContact O-CG 3.45Å; K394-M398 PolarHBondContact O-N 2.8Å
395	F	96.3	Very high	95.3	Very high	1 Å²	1	54 Å²	54	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-51.9	175	-179.3	-77.1	0	0	0	110.6	P184 Y185 V188 L391 D392 L397 M398 Y399 F418 R422	P184-F395 HydrophobicContact CB-CB 4.44Å; Y185-F395 AromaticContact CD1-CD2 3.45Å; Y185-F395 HydrophobicContact CD1-CD2 3.45Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.45Å; Y185-F395 AromaticContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CE2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CG 4.19Å; Y185-F395 HydrophobicContact CD1-CZ 4.21Å; Y185-F395 AromaticContact CE1-CD2 3.97Å; Y185-F395 HydrophobicContact CE1-CD2 3.97Å; Y185-F395 AromaticContact CE1-CE2 3.94Å; Y185-F395 HydrophobicContact CE1-CE2 3.94Å; Y185-F395 HydrophobicContact CE1-CG 4.31Å; Y185-F395 HydrophobicContact CE1-CZ 4.27Å; Y185-F395 HydrophobicContact CG-CE2 4.43Å; V188-F395 HydrophobicContact CB-CD2 3.77Å; V188-F395 HydrophobicContact CB-CE2 4Å; V188-F395 HydrophobicContact CG1-CD2 4.05Å; V188-F395 HydrophobicContact CG1-CE2 3.95Å; V188-F395 HydrophobicContact CG2-CB 4.16Å; V188-F395 HydrophobicContact CG2-CD2 3.54Å; V188-F395 HydrophobicContact CG2-CE2 4.27Å; V188-F395 HydrophobicContact CG2-CG 4.11Å; L391-F395 WeakPolarHBondContact O-CB 3.43Å; L391-F395 PolarHBondContact O-N 3.15Å; D392-F395 WeakPolarHBondContact O-CB 3.41Å; D392-F395 PolarHBondContact O-N 3.07Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 3.24Å; F395-M398 PolarHBondContact O-N 2.83Å; F395-M398 VanDerWaalsContact O-N 3.07Å; F395-Y399 HydrophobicContact CE1-CD1 4.43Å; F395-Y399 HydrophobicContact CE1-CD2 4.35Å; F395-Y399 AromaticContact CE1-CG 3.96Å; F395-Y399 HydrophobicContact CE1-CG 3.96Å; F395-Y399 HydrophobicContact CZ-CD2 4.39Å; F395-Y399 HydrophobicContact CZ-CG 4.45Å; F395-Y399 WeakPolarHBondContact O-CB 3.49Å; F395-Y399 PolarHBondContact O-N 3.49Å; F395-F418 AromaticContact CE2-CD1 3.94Å; F395-F418 HydrophobicContact CE2-CD1 3.94Å; F395-F418 HydrophobicContact CZ-CB 4.06Å; F395-F418 AromaticContact CZ-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CG 4.47Å; F395-F418 WeakPolarHBondContact CZ-O 3.34Å; F395-R422 HydrophobicContact CD1-CB 4.21Å; F395-R422 HydrophobicContact CD1-CG 3.92Å; F395-R422 HydrophobicContact CE1-CB 3.69Å; F395-R422 HydrophobicContact CE1-CG 3.77Å; F395-R422 HydrophobicContact CZ-CB 3.96Å
396	D	97.4	Very high	95.4	Very high	64 Å²	64	58.6 Å²	58.6	34%	0.342	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-42.2	-176.5	-68.8	-21.6	0	0	0	111.9	D392 H393 M398 Y399 A400 R422	D392-D396 WeakPolarHBondContact O-CB 3.29Å; D392-D396 PolarHBondContact O-N 3.18Å; H393-D396 PolarHBondContact O-N 3.45Å; D396-M398 VanDerWaalsContact C-N 3.28Å; D396-M398 PolarHBondContact O-N 3.12Å; D396-Y399 PolarHBondContact O-N 3.11Å; D396-A400 WeakPolarHBondContact O-CB 3.44Å; D396-A400 PolarHBondContact O-N 2.88Å; D396-R422 IonicContact OD1-CZ 3.48Å; D396-R422 IonicContact OD1-NE 3.86Å; D396-R422 PolarHBondContact OD1-NE 3.16Å; D396-R422 IonicContact OD1-NH2 3.91Å; D396-R422 IonicContact OD2-CZ 2.7Å; D396-R422 IonicContact OD2-NE 3.79Å; D396-R422 PolarHBondContact OD2-NE 2.9Å; D396-R422 IonicContact OD2-NH2 2.81Å; D396-R422 PolarHBondContact OD2-NH2 3.36Å
397	L	95.6	Very high	95.6	Very high	99 Å²	99	61.9 Å²	61.9	52%	0.518	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-37	176.5	-73.8	177.3	0	0	0	112.8	H393 F395	H393-L397 WeakPolarHBondContact O-CG 3.37Å; H393-L397 PolarHBondContact O-N 3.48Å; H393-L397 VanDerWaalsContact O-N 3.16Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 3.24Å
398	M	95.5	Very high	95.9	Very high	28 Å²	28	61.8 Å²	61.8	14%	0.138	30%	0.3	C	S	.	.	H	α-helix	trans	-76.2	-46.5	177.7	-68.4	-176.6	61.5	0	0	111.4	V181 V182 P184 Y185 K394 F395 D396 K401 R402 A403 F404	V181-M398 VanDerWaalsContact O-CE 3.3Å; V181-M398 WeakPolarHBondContact O-CE 3.23Å; V182-M398 HydrophobicContact CG1-CE 4.4Å; P184-M398 HydrophobicContact CB-SD 4.18Å; P184-M398 HydrophobicContact CG-SD 3.82Å; Y185-M398 HydrophobicContact CD2-CE 4.44Å; Y185-M398 HydrophobicContact CE1-CB 3.86Å; Y185-M398 HydrophobicContact CE2-CE 4.19Å; Y185-M398 PolarHBondContact OH-O 3.33Å; K394-M398 WeakPolarHBondContact O-CG 3.45Å; K394-M398 PolarHBondContact O-N 2.8Å; F395-M398 PolarHBondContact O-N 2.83Å; F395-M398 VanDerWaalsContact O-N 3.07Å; D396-M398 VanDerWaalsContact C-N 3.28Å; D396-M398 PolarHBondContact O-N 3.12Å; M398-K401 PolarHBondContact O-N 2.97Å; M398-R402 PolarHBondContact O-N 3.17Å; M398-A403 PolarHBondContact O-N 3.21Å; M398-F404 HydrophobicContact CE-CD2 3.74Å; M398-F404 HydrophobicContact CE-CE2 4.27Å
399	Y	97	Very high	96	Very high	54 Å²	54	64.6 Å²	64.6	21%	0.212	32%	0.317	C	S	.	.	H	α-helix	trans	-69.4	-37.1	-174.5	-166.8	-106.9	0	0	0	112.2	Y185 F395 D396 K401 R402 V405 F418 T419	Y185-Y399 HydrophobicContact CE1-CD2 4.41Å; Y185-Y399 VanDerWaalsContact OH-CA 3.26Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.38Å; Y185-Y399 PolarHBondContact OH-N 3.39Å; F395-Y399 HydrophobicContact CE1-CD1 4.43Å; F395-Y399 HydrophobicContact CE1-CD2 4.35Å; F395-Y399 AromaticContact CE1-CG 3.96Å; F395-Y399 HydrophobicContact CE1-CG 3.96Å; F395-Y399 HydrophobicContact CZ-CD2 4.39Å; F395-Y399 HydrophobicContact CZ-CG 4.45Å; F395-Y399 WeakPolarHBondContact O-CB 3.49Å; F395-Y399 PolarHBondContact O-N 3.49Å; D396-Y399 PolarHBondContact O-N 3.11Å; Y399-K401 PolarHBondContact O-N 3.46Å; Y399-K401 VanDerWaalsContact O-N 3.07Å; Y399-R402 WeakPolarHBondContact O-CA 3.32Å; Y399-R402 PolarHBondContact O-N 3.09Å; Y399-V405 HydrophobicContact CD2-CG2 3.87Å; Y399-V405 HydrophobicContact CE2-CG2 4.01Å; Y399-F418 HydrophobicContact CD2-CB 4.21Å; Y399-F418 HydrophobicContact CD2-CD1 4.48Å; Y399-F418 HydrophobicContact CD2-CG 4.34Å; Y399-F418 HydrophobicContact CE2-CB 3.57Å; Y399-F418 HydrophobicContact CE2-CD1 4.45Å; Y399-F418 HydrophobicContact CE2-CD2 4.26Å; Y399-F418 AromaticContact CE2-CG 3.87Å; Y399-F418 HydrophobicContact CE2-CG 3.87Å; Y399-T419 PolarHBondContact OH-OG1 3.46Å
400	A	96.8	Very high	96.1	Very high	88 Å²	88	65.6 Å²	65.6	73%	0.727	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.2	173.7	0	0	0	0	0	113.1	D396	D396-A400 WeakPolarHBondContact O-CB 3.44Å; D396-A400 PolarHBondContact O-N 2.88Å
401	K	96.5	Very high	96.3	Very high	173 Å²	173	64 Å²	64	75%	0.752	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0.6	175.8	-64.4	180	-177.1	173.1	0	113.3	M398 Y399 A403	M398-K401 PolarHBondContact O-N 2.97Å; Y399-K401 PolarHBondContact O-N 3.46Å; Y399-K401 VanDerWaalsContact O-N 3.07Å; K401-A403 HydrophobicContact CB-CB 4.46Å; K401-A403 PolarHBondContact O-N 3.47Å; K401-A403 VanDerWaalsContact O-N 3.12Å
402	R	96	Very high	96.3	Very high	149 Å²	149	66.5 Å²	66.5	56%	0.562	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	31	-169.3	-57.4	-179.3	63.1	133.4	5.5	112.2	M398 Y399 F404 V405 E415	M398-R402 PolarHBondContact O-N 3.17Å; Y399-R402 WeakPolarHBondContact O-CA 3.32Å; Y399-R402 PolarHBondContact O-N 3.09Å; R402-F404 PolarHBondContact O-N 3.04Å; R402-V405 HydrophobicContact CB-CG2 4.35Å; R402-E415 IonicContact CZ-OE1 3.58Å; R402-E415 IonicContact CZ-OE2 3.92Å; R402-E415 IonicContact NE-OE1 3.46Å; R402-E415 IonicContact NH1-OE1 3.44Å; R402-E415 PolarHBondContact NH1-OE1 2.96Å; R402-E415 IonicContact NH2-OE1 2.82Å; R402-E415 PolarHBondContact NH2-OE1 3Å; R402-E415 IonicContact NH2-OE2 2.81Å; R402-E415 PolarHBondContact NH2-OE2 2.85Å
403	A	96.2	Very high	96.4	Very high	29 Å²	29	66.5 Å²	66.5	24%	0.24	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	128.6	-177.8	0	0	0	0	0	108.7	Y185 M398 K401 V405	Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 3.24Å; M398-A403 PolarHBondContact O-N 3.21Å; K401-A403 HydrophobicContact CB-CB 4.46Å; K401-A403 PolarHBondContact O-N 3.47Å; K401-A403 VanDerWaalsContact O-N 3.12Å; A403-V405 PolarHBondContact O-N 2.78Å
404	F	96.2	Very high	96.5	Very high	57 Å²	57	68 Å²	68	25%	0.25	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-2.4	178.8	-48.6	-75.4	0	0	0	117.4	V181 V182 Y185 M398 R402 H406 W407	V181-F404 HydrophobicContact CB-CE2 4.44Å; V181-F404 HydrophobicContact CG1-CD2 4.29Å; V181-F404 HydrophobicContact CG1-CE2 3.44Å; V181-F404 VanDerWaalsContact CG1-CE2 3.44Å; V181-F404 HydrophobicContact CG1-CZ 3.82Å; V182-F404 HydrophobicContact CG1-CB 3.68Å; V182-F404 HydrophobicContact CG1-CD1 4.32Å; V182-F404 HydrophobicContact CG1-CD2 3.86Å; V182-F404 HydrophobicContact CG1-CG 3.69Å; Y185-F404 HydrophobicContact CE2-CB 4.48Å; M398-F404 HydrophobicContact CE-CD2 3.74Å; M398-F404 HydrophobicContact CE-CE2 4.27Å; R402-F404 PolarHBondContact O-N 3.04Å; F404-H406 PolarHBondContact O-N 3.17Å; F404-H406 VanDerWaalsContact O-N 3.15Å; F404-W407 HydrophobicContact CB-CD2 4.31Å; F404-W407 HydrophobicContact CB-CE3 4.19Å; F404-W407 AromaticContact CD1-CD2 3.81Å; F404-W407 HydrophobicContact CD1-CD2 3.81Å; F404-W407 AromaticContact CD1-CE2 3.8Å; F404-W407 AromaticContact CD1-CE3 3.59Å; F404-W407 HydrophobicContact CD1-CE3 3.59Å; F404-W407 AromaticContact CD1-CH2 3.44Å; F404-W407 HydrophobicContact CD1-CH2 3.44Å; F404-W407 VanDerWaalsContact CD1-CH2 3.44Å; F404-W407 AromaticContact CD1-CZ2 3.64Å; F404-W407 HydrophobicContact CD1-CZ2 3.64Å; F404-W407 AromaticContact CD1-CZ3 3.4Å; F404-W407 HydrophobicContact CD1-CZ3 3.4Å; F404-W407 VanDerWaalsContact CD1-CZ3 3.4Å; F404-W407 HydrophobicContact CE1-CE3 4.41Å; F404-W407 AromaticContact CE1-CH2 3.45Å; F404-W407 HydrophobicContact CE1-CH2 3.45Å; F404-W407 VanDerWaalsContact CE1-CH2 3.45Å; F404-W407 AromaticContact CE1-CZ2 3.83Å; F404-W407 HydrophobicContact CE1-CZ2 3.83Å; F404-W407 AromaticContact CE1-CZ3 3.78Å; F404-W407 HydrophobicContact CE1-CZ3 3.78Å; F404-W407 HydrophobicContact CG-CE3 4.26Å; F404-W407 HydrophobicContact CG-CZ3 4.32Å; F404-W407 VanDerWaalsContact O-CB 3.29Å; F404-W407 WeakPolarHBondContact O-CB 3.18Å; F404-W407 PolarHBondContact O-N 3.01Å
405	V	96.8	Very high	96.6	Very high	2 Å²	2	68 Å²	68	1%	0.012	36%	0.363	C	S	.	.	H	α-helix	trans	-53.3	-41.1	-179.8	174	0	0	0	0	111.9	Y185 Y399 R402 A403 W407 Y408 V409 E415 F418	Y185-V405 HydrophobicContact CE2-CG2 4.19Å; Y399-V405 HydrophobicContact CD2-CG2 3.87Å; Y399-V405 HydrophobicContact CE2-CG2 4.01Å; R402-V405 HydrophobicContact CB-CG2 4.35Å; A403-V405 PolarHBondContact O-N 2.78Å; V405-W407 PolarHBondContact O-N 3.09Å; V405-Y408 PolarHBondContact O-N 3.39Å; V405-V409 HydrophobicContact CG1-CG2 4.09Å; V405-V409 PolarHBondContact O-N 2.88Å; V405-V409 VanDerWaalsContact O-N 3.09Å; V405-E415 HydrophobicContact CG1-CG 4.12Å; V405-F418 HydrophobicContact CG1-CD2 4.35Å; V405-F418 HydrophobicContact CG1-CE2 3.99Å
406	H	96.7	Very high	96.6	Very high	123 Å²	123	69.6 Å²	69.6	57%	0.569	38%	0.38	S	S	*	.	H	α-helix	trans	-61.9	-21.4	177.6	66.1	-75.9	0	0	0	114.4	F404 Y408 G410	F404-H406 PolarHBondContact O-N 3.17Å; F404-H406 VanDerWaalsContact O-N 3.15Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; H406-G410 PolarHBondContact O-N 3.15Å
407	W	96.4	Very high	96.6	Very high	125 Å²	125	68.3 Å²	68.3	47%	0.473	37%	0.371	S	S	.	.	H	α-helix	trans	-72	-28.7	173.5	-65.3	-3.2	0	0	0	112.1	N102 F404 V405 E411	N102-W407 PolarHBondContact ND2-O 2.88Å; F404-W407 HydrophobicContact CB-CD2 4.31Å; F404-W407 HydrophobicContact CB-CE3 4.19Å; F404-W407 AromaticContact CD1-CD2 3.81Å; F404-W407 HydrophobicContact CD1-CD2 3.81Å; F404-W407 AromaticContact CD1-CE2 3.8Å; F404-W407 AromaticContact CD1-CE3 3.59Å; F404-W407 HydrophobicContact CD1-CE3 3.59Å; F404-W407 AromaticContact CD1-CH2 3.44Å; F404-W407 HydrophobicContact CD1-CH2 3.44Å; F404-W407 VanDerWaalsContact CD1-CH2 3.44Å; F404-W407 AromaticContact CD1-CZ2 3.64Å; F404-W407 HydrophobicContact CD1-CZ2 3.64Å; F404-W407 AromaticContact CD1-CZ3 3.4Å; F404-W407 HydrophobicContact CD1-CZ3 3.4Å; F404-W407 VanDerWaalsContact CD1-CZ3 3.4Å; F404-W407 HydrophobicContact CE1-CE3 4.41Å; F404-W407 AromaticContact CE1-CH2 3.45Å; F404-W407 HydrophobicContact CE1-CH2 3.45Å; F404-W407 VanDerWaalsContact CE1-CH2 3.45Å; F404-W407 AromaticContact CE1-CZ2 3.83Å; F404-W407 HydrophobicContact CE1-CZ2 3.83Å; F404-W407 AromaticContact CE1-CZ3 3.78Å; F404-W407 HydrophobicContact CE1-CZ3 3.78Å; F404-W407 HydrophobicContact CG-CE3 4.26Å; F404-W407 HydrophobicContact CG-CZ3 4.32Å; F404-W407 VanDerWaalsContact O-CB 3.29Å; F404-W407 WeakPolarHBondContact O-CB 3.18Å; F404-W407 PolarHBondContact O-N 3.01Å; V405-W407 PolarHBondContact O-N 3.09Å; W407-E411 WeakPolarHBondContact O-CG 3.25Å
408	Y	98.2	Very high	96.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-85.5	-46.7	179	-69.2	-114.6	0	0	0	110	N102 A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418	N102-Y408 WeakPolarHBondContact OD1-CD1 3.23Å; A104-Y408 HydrophobicContact CB-CD1 4.04Å; A104-Y408 HydrophobicContact CB-CG 4.36Å; V182-Y408 HydrophobicContact CB-CE2 4.3Å; V182-Y408 VanDerWaalsContact CB-OH 3.25Å; V182-Y408 WeakPolarHBondContact CB-OH 3.48Å; V182-Y408 HydrophobicContact CG1-CE2 4.38Å; V182-Y408 VanDerWaalsContact CG2-OH 3.31Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.39Å; V182-Y408 PolarHBondContact O-OH 3.27Å; Y185-Y408 HydrophobicContact CD2-CD2 4.38Å; Y185-Y408 AromaticContact CD2-CE2 3.8Å; Y185-Y408 HydrophobicContact CD2-CE2 3.8Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.28Å; N186-Y408 PolarHBondContact OD1-OH 3.49Å; L189-Y408 HydrophobicContact CD1-CD1 3.93Å; L189-Y408 HydrophobicContact CD1-CE1 3.83Å; V405-Y408 PolarHBondContact O-N 3.39Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; Y408-G410 VanDerWaalsContact C-N 3.25Å; Y408-G410 PolarHBondContact O-N 3.41Å; Y408-E411 WeakPolarHBondContact O-CB 3.27Å; Y408-E411 PolarHBondContact O-N 2.9Å; Y408-M413 HydrophobicContact CD1-SD 3.85Å; Y408-M413 HydrophobicContact CG-SD 4.34Å; Y408-M413 WeakPolarHBondContact O-CB 3.33Å; Y408-F418 HydrophobicContact CD1-CE1 4.29Å; Y408-F418 AromaticContact CD1-CZ 3.74Å; Y408-F418 HydrophobicContact CD1-CZ 3.74Å; Y408-F418 AromaticContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CE1-CZ 4.39Å; Y408-F418 HydrophobicContact CG-CE1 4.38Å; Y408-F418 HydrophobicContact CG-CE2 4.25Å; Y408-F418 AromaticContact CG-CZ 3.48Å; Y408-F418 HydrophobicContact CG-CZ 3.48Å; Y408-F418 VanDerWaalsContact CG-CZ 3.48Å
409	V	97.4	Very high	96.8	Very high	58 Å²	58	64.8 Å²	64.8	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-34.2	177.4	-179	0	0	0	0	111.8	V405 E411 G412 M413 E415	V405-V409 HydrophobicContact CG1-CG2 4.09Å; V405-V409 PolarHBondContact O-N 2.88Å; V405-V409 VanDerWaalsContact O-N 3.09Å; V409-E411 PolarHBondContact O-N 2.96Å; V409-E411 VanDerWaalsContact O-N 3.17Å; V409-G412 PolarHBondContact O-N 3.38Å; V409-M413 WeakPolarHBondContact CA-O 3.37Å; V409-E415 HydrophobicContact CG2-CB 4.1Å
410	G	96.7	Very high	96.8	Very high	67 Å²	67	67.7 Å²	67.7	69%	0.691	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.2	174.1	0	0	0	0	0	114.4	H406 Y408	H406-G410 PolarHBondContact O-N 3.15Å; Y408-G410 VanDerWaalsContact C-N 3.25Å; Y408-G410 PolarHBondContact O-N 3.41Å
411	E	96.7	Very high	96.9	Very high	43 Å²	43	63.5 Å²	63.5	20%	0.201	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.9	177.8	-60.2	-74.1	169.8	0	0	112	A104 R105 Y108 T109 W407 Y408 V409	A104-E411 HydrophobicContact CB-CB 3.78Å; A104-E411 HydrophobicContact CB-CG 4.45Å; R105-E411 WeakPolarHBondContact CD-OE1 3.42Å; R105-E411 HydrophobicContact CG-CG 3.57Å; R105-E411 VanDerWaalsContact CG-OE1 3.27Å; R105-E411 WeakPolarHBondContact CG-OE1 3.27Å; R105-E411 IonicContact CZ-OE1 3.5Å; R105-E411 IonicContact NE-OE1 3.47Å; R105-E411 IonicContact NH1-OE1 2.73Å; R105-E411 PolarHBondContact NH1-OE1 3.25Å; R105-E411 IonicContact NH1-OE2 3.23Å; Y108-E411 WeakPolarHBondContact CB-O 3.33Å; T109-E411 WeakPolarHBondContact CB-OE2 3.48Å; T109-E411 HydrophobicContact CG2-CB 4.11Å; T109-E411 WeakPolarHBondContact CG2-O 3.41Å; T109-E411 VanDerWaalsContact CG2-OE2 3.23Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.5Å; T109-E411 PolarHBondContact OG1-OE2 3.1Å; W407-E411 WeakPolarHBondContact O-CG 3.25Å; Y408-E411 WeakPolarHBondContact O-CB 3.27Å; Y408-E411 PolarHBondContact O-N 2.9Å; V409-E411 PolarHBondContact O-N 2.96Å; V409-E411 VanDerWaalsContact O-N 3.17Å
412	G	95	Very high	96.9	Very high	57 Å²	57	57.6 Å²	57.6	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	4.4	175.1	0	0	0	0	0	115.4	V409	V409-G412 PolarHBondContact O-N 3.38Å
413	M	97.7	Very high	97	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	31%	0.311	C	S	.	.			trans	-70.9	140.1	170.1	-176.1	-175.9	150.3	0	0	110.4	A104 Y108 L189 Y408 V409 E417 F418	A104-M413 HydrophobicContact CB-CB 3.97Å; A104-M413 HydrophobicContact CB-SD 4.24Å; Y108-M413 HydrophobicContact CD2-CB 3.75Å; Y108-M413 HydrophobicContact CD2-CG 4.23Å; Y108-M413 HydrophobicContact CE2-CB 3.67Å; Y108-M413 HydrophobicContact CE2-CG 3.64Å; Y108-M413 HydrophobicContact CE2-SD 4.36Å; L189-M413 HydrophobicContact CD1-CE 3.73Å; L189-M413 HydrophobicContact CD1-SD 3.95Å; L189-M413 HydrophobicContact CD2-CE 3.47Å; L189-M413 VanDerWaalsContact CD2-CE 3.47Å; L189-M413 HydrophobicContact CD2-SD 4.46Å; L189-M413 HydrophobicContact CG-CE 4.26Å; Y408-M413 HydrophobicContact CD1-SD 3.85Å; Y408-M413 HydrophobicContact CG-SD 4.34Å; Y408-M413 WeakPolarHBondContact O-CB 3.33Å; V409-M413 WeakPolarHBondContact CA-O 3.37Å; M413-E417 HydrophobicContact CE-CB 3.69Å; M413-E417 HydrophobicContact CG-CB 4.42Å; M413-E417 WeakPolarHBondContact CG-OE1 3.36Å; M413-F418 HydrophobicContact CE-CD1 4.12Å; M413-F418 HydrophobicContact CE-CD2 3.42Å; M413-F418 VanDerWaalsContact CE-CD2 3.42Å; M413-F418 HydrophobicContact CE-CE1 4.09Å; M413-F418 HydrophobicContact CE-CE2 3.38Å; M413-F418 HydrophobicContact CE-CG 3.82Å; M413-F418 HydrophobicContact CE-CZ 3.75Å; M413-F418 HydrophobicContact SD-CE2 4.13Å; M413-F418 HydrophobicContact SD-CZ 4.3Å
414	E	97	Very high	97.1	Very high	145 Å²	145	56.5 Å²	56.5	68%	0.678	31%	0.307	S	S	*	.			trans	-78.9	140.9	175.9	-62.5	-170.4	177.1	0	0	111	G416 E417	E414-G416 PolarHBondContact O-N 3.15Å; E414-E417 HydrophobicContact CB-CG 4.25Å; E414-E417 PolarHBondContact N-OE1 2.75Å; E414-E417 WeakPolarHBondContact O-CB 3.48Å; E414-E417 PolarHBondContact O-N 2.82Å
415	E	95.4	Very high	97.1	Very high	63 Å²	63	54 Å²	54	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-26.2	-179.4	-172.3	170.9	-178.7	0	0	112.4	R402 V405 V409 E417 F418	R402-E415 IonicContact CZ-OE1 3.58Å; R402-E415 IonicContact CZ-OE2 3.92Å; R402-E415 IonicContact NE-OE1 3.46Å; R402-E415 IonicContact NH1-OE1 3.44Å; R402-E415 PolarHBondContact NH1-OE1 2.96Å; R402-E415 IonicContact NH2-OE1 2.82Å; R402-E415 PolarHBondContact NH2-OE1 3Å; R402-E415 IonicContact NH2-OE2 2.81Å; R402-E415 PolarHBondContact NH2-OE2 2.85Å; V405-E415 HydrophobicContact CG1-CG 4.12Å; V409-E415 HydrophobicContact CG2-CB 4.1Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.27Å; E415-F418 PolarHBondContact O-N 3.21Å
416	G	96.7	Very high	97	Very high	35 Å²	35	55.1 Å²	55.1	36%	0.361	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-32.6	177.6	0	0	0	0	0	113.6	E414 F418 T419 E420	E414-G416 PolarHBondContact O-N 3.15Å; G416-F418 PolarHBondContact O-N 2.82Å; G416-T419 WeakPolarHBondContact O-CB 3.46Å; G416-T419 PolarHBondContact O-N 2.99Å; G416-E420 PolarHBondContact O-N 2.75Å
417	E	97.9	Very high	97	Very high	36 Å²	36	51.8 Å²	51.8	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-31.1	-179.7	-65.6	177	-126.8	0	0	112.6	Y108 M413 E414 E415 T419 A421	Y108-E417 PolarHBondContact OH-OE1 3.49Å; Y108-E417 PolarHBondContact OH-OE2 3.16Å; M413-E417 HydrophobicContact CE-CB 3.69Å; M413-E417 HydrophobicContact CG-CB 4.42Å; M413-E417 WeakPolarHBondContact CG-OE1 3.36Å; E414-E417 HydrophobicContact CB-CG 4.25Å; E414-E417 PolarHBondContact N-OE1 2.75Å; E414-E417 WeakPolarHBondContact O-CB 3.48Å; E414-E417 PolarHBondContact O-N 2.82Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.27Å; E417-T419 VanDerWaalsContact C-N 3.29Å; E417-T419 PolarHBondContact O-N 3.37Å; E417-A421 WeakPolarHBondContact O-CB 3.49Å; E417-A421 PolarHBondContact O-N 2.96Å
418	F	98	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-42.1	172.8	-80	-75.9	0	0	0	112	Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422	Y185-F418 HydrophobicContact CD1-CD1 4.28Å; Y185-F418 HydrophobicContact CD1-CE1 4.01Å; Y185-F418 AromaticContact CD2-CE1 3.68Å; Y185-F418 HydrophobicContact CD2-CE1 3.68Å; Y185-F418 HydrophobicContact CD2-CZ 4.2Å; Y185-F418 HydrophobicContact CE1-CE1 4.4Å; Y185-F418 HydrophobicContact CE2-CE1 4.09Å; Y185-F418 HydrophobicContact CE2-CZ 4.48Å; Y185-F418 HydrophobicContact CG-CD1 4.33Å; Y185-F418 AromaticContact CG-CE1 3.62Å; Y185-F418 HydrophobicContact CG-CE1 3.62Å; L189-F418 HydrophobicContact CD1-CD1 4.48Å; L189-F418 HydrophobicContact CD1-CE1 4.06Å; F395-F418 AromaticContact CE2-CD1 3.94Å; F395-F418 HydrophobicContact CE2-CD1 3.94Å; F395-F418 HydrophobicContact CZ-CB 4.06Å; F395-F418 AromaticContact CZ-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CG 4.47Å; F395-F418 WeakPolarHBondContact CZ-O 3.34Å; Y399-F418 HydrophobicContact CD2-CB 4.21Å; Y399-F418 HydrophobicContact CD2-CD1 4.48Å; Y399-F418 HydrophobicContact CD2-CG 4.34Å; Y399-F418 HydrophobicContact CE2-CB 3.57Å; Y399-F418 HydrophobicContact CE2-CD1 4.45Å; Y399-F418 HydrophobicContact CE2-CD2 4.26Å; Y399-F418 AromaticContact CE2-CG 3.87Å; Y399-F418 HydrophobicContact CE2-CG 3.87Å; V405-F418 HydrophobicContact CG1-CD2 4.35Å; V405-F418 HydrophobicContact CG1-CE2 3.99Å; Y408-F418 HydrophobicContact CD1-CE1 4.29Å; Y408-F418 AromaticContact CD1-CZ 3.74Å; Y408-F418 HydrophobicContact CD1-CZ 3.74Å; Y408-F418 AromaticContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CE1-CZ 4.39Å; Y408-F418 HydrophobicContact CG-CE1 4.38Å; Y408-F418 HydrophobicContact CG-CE2 4.25Å; Y408-F418 AromaticContact CG-CZ 3.48Å; Y408-F418 HydrophobicContact CG-CZ 3.48Å; Y408-F418 VanDerWaalsContact CG-CZ 3.48Å; M413-F418 HydrophobicContact CE-CD1 4.12Å; M413-F418 HydrophobicContact CE-CD2 3.42Å; M413-F418 VanDerWaalsContact CE-CD2 3.42Å; M413-F418 HydrophobicContact CE-CE1 4.09Å; M413-F418 HydrophobicContact CE-CE2 3.38Å; M413-F418 HydrophobicContact CE-CG 3.82Å; M413-F418 HydrophobicContact CE-CZ 3.75Å; M413-F418 HydrophobicContact SD-CE2 4.13Å; M413-F418 HydrophobicContact SD-CZ 4.3Å; E415-F418 PolarHBondContact O-N 3.21Å; G416-F418 PolarHBondContact O-N 2.82Å; F418-R422 WeakPolarHBondContact O-CB 3.4Å; F418-R422 PolarHBondContact O-N 3.21Å; F418-R422 VanDerWaalsContact O-N 3.15Å
419	T	97.2	Very high	96.8	Very high	54 Å²	54	47.3 Å²	47.3	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-74.2	-43.7	-177.1	-53.9	0	0	0	0	109.9	Y399 G416 E417 R422 E423	Y399-T419 PolarHBondContact OH-OG1 3.46Å; G416-T419 WeakPolarHBondContact O-CB 3.46Å; G416-T419 PolarHBondContact O-N 2.99Å; E417-T419 VanDerWaalsContact C-N 3.29Å; E417-T419 PolarHBondContact O-N 3.37Å; T419-R422 PolarHBondContact O-N 3.32Å; T419-E423 HydrophobicContact CG2-CG 4.47Å; T419-E423 WeakPolarHBondContact O-CB 3.4Å; T419-E423 WeakPolarHBondContact O-CG 3.35Å; T419-E423 PolarHBondContact O-N 2.82Å
420	E	98	Very high	96.7	Very high	115 Å²	115	50.9 Å²	50.9	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-59.5	-48.9	176.6	-67.6	175.4	-166.3	0	0	111.6	G416 R422 E423 D424	G416-E420 PolarHBondContact O-N 2.75Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 3Å; E420-E423 PolarHBondContact O-N 3.41Å; E420-D424 WeakPolarHBondContact O-CB 3.36Å; E420-D424 PolarHBondContact O-N 2.87Å
421	A	97.8	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-37.3	178.7	0	0	0	0	0	112.5	V188 L189 H192 E417 L425	V188-A421 HydrophobicContact CG1-CB 3.83Å; L189-A421 HydrophobicContact CD2-CB 3.88Å; H192-A421 HydrophobicContact CB-CB 3.5Å; E417-A421 WeakPolarHBondContact O-CB 3.49Å; E417-A421 PolarHBondContact O-N 2.96Å; A421-L425 PolarHBondContact O-N 3.12Å; A421-L425 VanDerWaalsContact O-N 3.09Å
422	R	97.7	Very high	96.5	Very high	48 Å²	48	47.7 Å²	47.7	18%	0.181	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-40.2	176.9	175.2	60.5	-173.7	94.1	-7.4	112.5	V188 D392 F395 D396 F418 T419 E420 A426	V188-R422 HydrophobicContact CG1-CB 4.48Å; D392-R422 WeakPolarHBondContact OD1-CD 3.26Å; D392-R422 IonicContact OD1-CZ 3.79Å; D392-R422 IonicContact OD1-NE 3.72Å; D392-R422 PolarHBondContact OD1-NE 2.81Å; D392-R422 IonicContact OD1-NH1 2.78Å; D392-R422 PolarHBondContact OD1-NH1 3.18Å; D392-R422 IonicContact OD2-CZ 3.79Å; D392-R422 IonicContact OD2-NE 3.7Å; D392-R422 IonicContact OD2-NH1 3.98Å; D392-R422 PolarHBondContact OD2-NH1 2.98Å; D392-R422 IonicContact OD2-NH2 2.85Å; D392-R422 PolarHBondContact OD2-NH2 3.33Å; F395-R422 HydrophobicContact CD1-CB 4.21Å; F395-R422 HydrophobicContact CD1-CG 3.92Å; F395-R422 HydrophobicContact CE1-CB 3.69Å; F395-R422 HydrophobicContact CE1-CG 3.77Å; F395-R422 HydrophobicContact CZ-CB 3.96Å; D396-R422 IonicContact OD1-CZ 3.48Å; D396-R422 IonicContact OD1-NE 3.86Å; D396-R422 PolarHBondContact OD1-NE 3.16Å; D396-R422 IonicContact OD1-NH2 3.91Å; D396-R422 IonicContact OD2-CZ 2.7Å; D396-R422 IonicContact OD2-NE 3.79Å; D396-R422 PolarHBondContact OD2-NE 2.9Å; D396-R422 IonicContact OD2-NH2 2.81Å; D396-R422 PolarHBondContact OD2-NH2 3.36Å; F418-R422 WeakPolarHBondContact O-CB 3.4Å; F418-R422 PolarHBondContact O-N 3.21Å; F418-R422 VanDerWaalsContact O-N 3.15Å; T419-R422 PolarHBondContact O-N 3.32Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 3Å; R422-A426 PolarHBondContact O-N 3.04Å; R422-A426 VanDerWaalsContact O-N 3.1Å
423	E	97.6	Very high	96.4	Very high	125 Å²	125	50.7 Å²	50.7	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-68.6	-36.9	176	-74.6	179	179	0	0	111.9	T419 E420 A426 S427	T419-E423 HydrophobicContact CG2-CG 4.47Å; T419-E423 WeakPolarHBondContact O-CB 3.4Å; T419-E423 WeakPolarHBondContact O-CG 3.35Å; T419-E423 PolarHBondContact O-N 2.82Å; E420-E423 PolarHBondContact O-N 3.41Å; E423-A426 WeakPolarHBondContact O-CB 3.44Å; E423-A426 PolarHBondContact O-N 3.25Å; E423-S427 WeakPolarHBondContact O-CB 3.48Å; E423-S427 PolarHBondContact O-N 2.94Å; E423-S427 PolarHBondContact O-OG 3.23Å
424	D	97	Very high	96.2	Very high	31 Å²	31	57.3 Å²	57.3	17%	0.166	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-40.6	176.7	-169.4	30.9	0	0	0	111.7	H192 R264 E420 S427 L428	H192-D424 IonicContact CE1-OD2 3.73Å; H192-D424 IonicContact CG-OD2 3.48Å; H192-D424 WeakPolarHBondContact ND1-CB 3.48Å; H192-D424 IonicContact ND1-OD2 3.08Å; H192-D424 PolarHBondContact ND1-OD2 2.7Å; R264-D424 IonicContact CZ-OD1 3.2Å; R264-D424 VanDerWaalsContact CZ-OD1 3.22Å; R264-D424 IonicContact NH1-OD1 3.66Å; R264-D424 PolarHBondContact NH1-OD1 3.41Å; R264-D424 PolarHBondContact NH2-O 3.01Å; R264-D424 IonicContact NH2-OD1 2.67Å; R264-D424 PolarHBondContact NH2-OD1 3.31Å; E420-D424 WeakPolarHBondContact O-CB 3.36Å; E420-D424 PolarHBondContact O-N 2.87Å; D424-S427 WeakPolarHBondContact O-CB 3.4Å; D424-S427 PolarHBondContact O-N 2.78Å; D424-L428 PolarHBondContact O-N 2.86Å
425	L	96.3	Very high	95.9	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-39.2	174.4	-166	58.6	0	0	0	112.3	V188 T191 W388 L391 D392 A421 S427 L428 E429	V188-L425 HydrophobicContact CG2-CD2 3.82Å; T191-L425 HydrophobicContact CG2-CD1 3.79Å; W388-L425 HydrophobicContact CB-CD1 4.41Å; W388-L425 HydrophobicContact CD2-CD1 4.33Å; W388-L425 HydrophobicContact CE3-CD1 4.14Å; W388-L425 HydrophobicContact CG-CD1 4.4Å; L391-L425 HydrophobicContact CD2-CD2 3.89Å; L391-L425 HydrophobicContact CG-CD2 4.5Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.46Å; A421-L425 PolarHBondContact O-N 3.12Å; A421-L425 VanDerWaalsContact O-N 3.09Å; L425-S427 PolarHBondContact O-N 2.73Å; L425-L428 HydrophobicContact CD1-CB 4.42Å; L425-L428 HydrophobicContact CD1-CD2 3.91Å; L425-L428 WeakPolarHBondContact O-CB 3.47Å; L425-L428 PolarHBondContact O-N 3.08Å; L425-L428 VanDerWaalsContact O-N 3.16Å; L425-E429 PolarHBondContact O-N 2.82Å
426	A	96.4	Very high	95.5	Very high	26 Å²	26	49 Å²	49	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-35.9	171.8	0	0	0	0	0	112.3	R422 E423 E429 K430	R422-A426 PolarHBondContact O-N 3.04Å; R422-A426 VanDerWaalsContact O-N 3.1Å; E423-A426 WeakPolarHBondContact O-CB 3.44Å; E423-A426 PolarHBondContact O-N 3.25Å; A426-E429 WeakPolarHBondContact O-CB 3.45Å; A426-E429 PolarHBondContact O-N 2.91Å; A426-K430 PolarHBondContact O-N 2.81Å
427	S	96.3	Very high	95.1	Very high	52 Å²	52	51.4 Å²	51.4	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-40	176.9	-57.7	0	0	0	0	110.5	E423 D424 L425 E429 K430 D431	E423-S427 WeakPolarHBondContact O-CB 3.48Å; E423-S427 PolarHBondContact O-N 2.94Å; E423-S427 PolarHBondContact O-OG 3.23Å; D424-S427 WeakPolarHBondContact O-CB 3.4Å; D424-S427 PolarHBondContact O-N 2.78Å; L425-S427 PolarHBondContact O-N 2.73Å; S427-E429 VanDerWaalsContact C-N 3.32Å; S427-E429 PolarHBondContact O-N 3.25Å; S427-K430 WeakPolarHBondContact O-CB 3.43Å; S427-K430 PolarHBondContact O-N 2.79Å; S427-D431 VanDerWaalsContact O-CG 3.27Å; S427-D431 PolarHBondContact O-N 2.91Å
428	L	95.9	Very high	93.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-39.7	172.4	-178	63.8	0	0	0	112.3	T191 L195 R264 F267 D424 L425 K430 D431 Y432	T191-L428 HydrophobicContact CG2-CD2 4.39Å; L195-L428 HydrophobicContact CD1-CD2 4.21Å; R264-L428 HydrophobicContact CB-CD1 4.09Å; R264-L428 VanDerWaalsContact O-CD1 3.25Å; R264-L428 WeakPolarHBondContact O-CD1 3.47Å; F267-L428 HydrophobicContact CD2-CD2 4.34Å; F267-L428 HydrophobicContact CE2-CD2 3.76Å; F267-L428 HydrophobicContact CZ-CD2 4.47Å; D424-L428 PolarHBondContact O-N 2.86Å; L425-L428 HydrophobicContact CD1-CB 4.42Å; L425-L428 HydrophobicContact CD1-CD2 3.91Å; L425-L428 WeakPolarHBondContact O-CB 3.47Å; L425-L428 PolarHBondContact O-N 3.08Å; L425-L428 VanDerWaalsContact O-N 3.16Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.41Å; L428-D431 WeakPolarHBondContact O-CB 3.09Å; L428-D431 PolarHBondContact O-N 3.44Å; L428-Y432 HydrophobicContact CD1-CD2 4.15Å; L428-Y432 HydrophobicContact CD1-CE2 3.8Å; L428-Y432 HydrophobicContact CD2-CE2 4.38Å; L428-Y432 HydrophobicContact CG-CD2 4.11Å; L428-Y432 HydrophobicContact CG-CE2 3.92Å; L428-Y432 VanDerWaalsContact O-CD2 3.3Å; L428-Y432 WeakPolarHBondContact O-CD2 3.35Å; L428-Y432 PolarHBondContact O-N 3.19Å; L428-Y432 VanDerWaalsContact O-N 3.12Å
429	E	95.1	Very high	92.4	Very high	30 Å²	30	55.6 Å²	55.6	14%	0.14	29%	0.289	C	S	.	.	H	α-helix	trans	-56.6	-48	173.2	-75.2	179	-167.6	0	0	111.7	W388 A389 L425 A426 S427 D431 Y432 E433	W388-E429 HydrophobicContact CB-CG 3.49Å; W388-E429 VanDerWaalsContact CB-CG 3.49Å; W388-E429 VanDerWaalsContact CB-OE1 3.24Å; W388-E429 WeakPolarHBondContact CB-OE1 3.49Å; W388-E429 HydrophobicContact CG-CG 4.26Å; A389-E429 WeakPolarHBondContact CA-OE1 3.47Å; A389-E429 PolarHBondContact N-OE1 2.73Å; L425-E429 PolarHBondContact O-N 2.82Å; A426-E429 WeakPolarHBondContact O-CB 3.45Å; A426-E429 PolarHBondContact O-N 2.91Å; S427-E429 VanDerWaalsContact C-N 3.32Å; S427-E429 PolarHBondContact O-N 3.25Å; E429-D431 VanDerWaalsContact C-N 3.33Å; E429-D431 PolarHBondContact O-N 2.89Å; E429-Y432 PolarHBondContact O-N 2.93Å; E429-Y432 VanDerWaalsContact O-N 3.15Å; E429-E433 WeakPolarHBondContact O-CG 3.48Å; E429-E433 PolarHBondContact O-N 3.27Å
430	K	94.9	Very high	90.5	Very high	133 Å²	133	59.6 Å²	59.6	58%	0.578	31%	0.307	S	S	*	.	H	α-helix	trans	-62.9	-38.5	176.7	-68.8	176.7	-177.1	175.1	0	112.6	A426 S427 L428 Y432 E433 E434	A426-K430 PolarHBondContact O-N 2.81Å; S427-K430 WeakPolarHBondContact O-CB 3.43Å; S427-K430 PolarHBondContact O-N 2.79Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.41Å; K430-Y432 VanDerWaalsContact C-N 3.26Å; K430-Y432 PolarHBondContact O-N 3.41Å; K430-E433 PolarHBondContact O-N 2.91Å; K430-E433 VanDerWaalsContact O-N 3.15Å; K430-E434 WeakPolarHBondContact O-CB 3.17Å; K430-E434 PolarHBondContact O-N 2.82Å
431	D	94.9	Very high	88.3	Confident	44 Å²	44	59.6 Å²	59.6	24%	0.235	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-42.3	175.1	-63.9	-24.5	0	0	0	110.4	R264 I265 S427 L428 E429 V435	R264-D431 IonicContact CZ-OD2 3.54Å; R264-D431 IonicContact NE-OD2 3.94Å; R264-D431 PolarHBondContact NE-OD2 3.03Å; R264-D431 IonicContact NH2-OD2 2.85Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.33Å; S427-D431 VanDerWaalsContact O-CG 3.27Å; S427-D431 PolarHBondContact O-N 2.91Å; L428-D431 WeakPolarHBondContact O-CB 3.09Å; L428-D431 PolarHBondContact O-N 3.44Å; E429-D431 VanDerWaalsContact C-N 3.33Å; E429-D431 PolarHBondContact O-N 2.89Å; D431-V435 WeakPolarHBondContact O-CB 3.44Å; D431-V435 VanDerWaalsContact O-CG2 3.22Å; D431-V435 WeakPolarHBondContact O-CG2 3.49Å; D431-V435 PolarHBondContact O-N 3.42Å
432	Y	94.9	Very high	86	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.3	-35.8	175.6	-82.8	-75.8	0	0	0	113.5	I265 M313 T382 I384 W388 L428 E429 K430 G436	I265-Y432 HydrophobicContact CB-CE1 4.27Å; I265-Y432 HydrophobicContact CG1-CD1 4.47Å; I265-Y432 HydrophobicContact CG1-CE1 4.3Å; I265-Y432 HydrophobicContact CG1-CE2 4.28Å; I265-Y432 HydrophobicContact CG2-CD1 3.98Å; I265-Y432 HydrophobicContact CG2-CE1 3.3Å; I265-Y432 HydrophobicContact CG2-CE2 4.48Å; M313-Y432 HydrophobicContact CE-CD1 3.92Å; M313-Y432 HydrophobicContact CE-CE1 3.71Å; T382-Y432 HydrophobicContact CG2-CD1 4.47Å; T382-Y432 VanDerWaalsContact CG2-O 3.28Å; T382-Y432 WeakPolarHBondContact CG2-O 3.41Å; I384-Y432 HydrophobicContact CG2-CD1 3.88Å; I384-Y432 HydrophobicContact CG2-CD2 4.29Å; I384-Y432 HydrophobicContact CG2-CE1 3.34Å; I384-Y432 HydrophobicContact CG2-CE2 3.86Å; I384-Y432 HydrophobicContact CG2-CG 4.31Å; W388-Y432 AromaticContact NE1-CD2 3.61Å; W388-Y432 AromaticContact NE1-CE2 3.35Å; W388-Y432 VanDerWaalsContact NE1-CE2 3.35Å; L428-Y432 HydrophobicContact CD1-CD2 4.15Å; L428-Y432 HydrophobicContact CD1-CE2 3.8Å; L428-Y432 HydrophobicContact CD2-CE2 4.38Å; L428-Y432 HydrophobicContact CG-CD2 4.11Å; L428-Y432 HydrophobicContact CG-CE2 3.92Å; L428-Y432 VanDerWaalsContact O-CD2 3.3Å; L428-Y432 WeakPolarHBondContact O-CD2 3.35Å; L428-Y432 PolarHBondContact O-N 3.19Å; L428-Y432 VanDerWaalsContact O-N 3.12Å; E429-Y432 PolarHBondContact O-N 2.93Å; E429-Y432 VanDerWaalsContact O-N 3.15Å; K430-Y432 VanDerWaalsContact C-N 3.26Å; K430-Y432 PolarHBondContact O-N 3.41Å; Y432-G436 PolarHBondContact O-N 3.21Å
433	E	92.7	Very high	83.4	Confident	120 Å²	120	68.9 Å²	68.9	56%	0.561	36%	0.364	S	S	*	.	H	α-helix	trans	-64.3	-50.4	175.2	-71.9	179.1	170.2	0	0	110.9	E429 K430 V435 G436 I437	E429-E433 WeakPolarHBondContact O-CG 3.48Å; E429-E433 PolarHBondContact O-N 3.27Å; K430-E433 PolarHBondContact O-N 2.91Å; K430-E433 VanDerWaalsContact O-N 3.15Å; E433-V435 VanDerWaalsContact C-N 3.32Å; E433-V435 PolarHBondContact O-N 3.48Å; E433-G436 WeakPolarHBondContact O-CA 3.45Å; E433-G436 PolarHBondContact O-N 2.81Å; E433-I437 WeakPolarHBondContact O-CG1 3.38Å; E433-I437 PolarHBondContact O-N 2.86Å
434	E	92.3	Very high	80.7	Confident	142 Å²	142	66.2 Å²	66.2	66%	0.664	37%	0.371	S	S	*	.	H	α-helix	trans	-57.8	-44.9	-179.7	-175	176.8	170.2	0	0	111.2	K430 G436 I437	K430-E434 WeakPolarHBondContact O-CB 3.17Å; K430-E434 PolarHBondContact O-N 2.82Å; E434-G436 PolarHBondContact O-N 3.23Å; E434-I437 PolarHBondContact O-N 3.28Å
435	V	90.7	Very high	78	Confident	18 Å²	18	69.5 Å²	69.5	11%	0.109	40%	0.402	C	S	.	.	H	α-helix	trans	-66.5	-22.2	177.7	174.8	0	0	0	0	112.9	Y262 I265 M313 W346 D431 E433	Y262-V435 HydrophobicContact CD2-CG2 4.04Å; Y262-V435 HydrophobicContact CE2-CG2 3.71Å; I265-V435 HydrophobicContact CD1-CB 4.38Å; I265-V435 HydrophobicContact CD1-CG2 3.67Å; M313-V435 HydrophobicContact CG-CG1 3.94Å; M313-V435 HydrophobicContact SD-CB 4.4Å; M313-V435 HydrophobicContact SD-CG1 3.39Å; M313-V435 WeakPolarHBondContact SD-CG1 3.45Å; W346-V435 HydrophobicContact CZ2-CG1 3.61Å; D431-V435 WeakPolarHBondContact O-CB 3.44Å; D431-V435 VanDerWaalsContact O-CG2 3.22Å; D431-V435 WeakPolarHBondContact O-CG2 3.49Å; D431-V435 PolarHBondContact O-N 3.42Å; E433-V435 VanDerWaalsContact C-N 3.32Å; E433-V435 PolarHBondContact O-N 3.48Å
436	G	87.9	Confident	75.5	Confident	16 Å²	16	73.3 Å²	73.3	17%	0.165	43%	0.434	C	S	.	.	H	α-helix	trans	-81.9	-18.5	176.7	0	0	0	0	0	114.8	K311 Y432 E433 E434	K311-G436 WeakPolarHBondContact CE-O 3.23Å; K311-G436 PolarHBondContact NZ-O 2.53Å; Y432-G436 PolarHBondContact O-N 3.21Å; E433-G436 WeakPolarHBondContact O-CA 3.45Å; E433-G436 PolarHBondContact O-N 2.81Å; E434-G436 PolarHBondContact O-N 3.23Å
437	I	86.9	Confident	72.7	Confident	85 Å²	85	80.3 Å²	80.3	44%	0.436	46%	0.462	S	S	.	.	S	Bend	trans	-70.7	131.7	178.9	-62.2	170.9	0	0	0	108.7	E433 E434 D441	E433-I437 WeakPolarHBondContact O-CG1 3.38Å; E433-I437 PolarHBondContact O-N 2.86Å; E434-I437 PolarHBondContact O-N 3.28Å; I437-D441 HydrophobicContact CG2-CB 3.91Å
438	D	73.8	Confident	70.1	Confident	54 Å²	54	85.8 Å²	85.8	29%	0.289	49%	0.488	S	S	.	.			trans	-69.8	141.1	175.8	-72.9	-44.7	0	0	0	109.6	K311 L440 D441	K311-D438 IonicContact NZ-OD1 3.79Å; K311-D438 PolarHBondContact NZ-OD1 2.77Å; K311-D438 IonicContact NZ-OD2 3.83Å; K311-D438 PolarHBondContact NZ-OD2 3.11Å; D438-L440 PolarHBondContact O-N 3Å; D438-D441 PolarHBondContact O-N 3.33Å
439	S	65.5	Low	67.4	Low	69 Å²	69	94.3 Å²	94.3	48%	0.483	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.7	177	62.2	0	0	0	0	114	D345 N443	D345-S439 WeakPolarHBondContact OD2-CB 3.41Å; D345-S439 PolarHBondContact OD2-N 3.28Å; D345-S439 PolarHBondContact OD2-OG 3.14Å; S439-N443 PolarHBondContact O-ND2 3.17Å
440	L	57.1	Low	65.4	Low	138 Å²	138	107.3 Å²	107.3	72%	0.723	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-24.7	175.1	-67	171	0	0	0	113.3	D438	D438-L440 PolarHBondContact O-N 3Å
441	D	53.8	Low	63.9	Low	116 Å²	116	106.1 Å²	106.1	62%	0.62	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-29.5	-179.6	-78.3	-20.9	0	0	0	112	I437 D438 N443 G444	I437-D441 HydrophobicContact CG2-CB 3.91Å; D438-D441 PolarHBondContact O-N 3.33Å; D441-N443 VanDerWaalsContact C-N 3.3Å; D441-N443 PolarHBondContact O-N 3.02Å; D441-G444 PolarHBondContact O-N 3.02Å
442	D	49.4	Very low	62.2	Low	129 Å²	129	109.3 Å²	109.3	69%	0.69	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-70.8	-22.5	176.2	-95.6	-11	0	0	0	113.8	G444	D442-G444 VanDerWaalsContact C-N 3.31Å
443	N	43.2	Very low	60.4	Low	113 Å²	113	115.4 Å²	115.4	60%	0.604	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-84.3	-4.3	177.7	-69.5	-44	0	0	0	113.4	S439 D441 A445	S439-N443 PolarHBondContact O-ND2 3.17Å; D441-N443 VanDerWaalsContact C-N 3.3Å; D441-N443 PolarHBondContact O-N 3.02Å; N443-A445 PolarHBondContact O-N 3.4Å
444	G	39.5	Very low	58.5	Low	70 Å²	70	115.1 Å²	115.1	72%	0.722	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-73.1	-9.6	178.2	0	0	0	0	0	115	D441 D442	D441-G444 PolarHBondContact O-N 3.02Å; D442-G444 VanDerWaalsContact C-N 3.31Å
445	A	41.7	Very low	56.4	Low	99 Å²	99	113.4 Å²	113.4	82%	0.818	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-100.3	-0.1	-178	0	0	0	0	0	114.9	N443	N443-A445 PolarHBondContact O-N 3.4Å
446	A	42.6	Very low	54.1	Low	85 Å²	85	119.8 Å²	119.8	70%	0.702	67%	0.665	S	S	*	*	S	Bend	trans	-118.6	7	-171.4	0	0	0	0	0	116.3
447	E	38.6	Very low	51.7	Low	172 Å²	172	127.2 Å²	127.2	80%	0.804	70%	0.701	S	S	*	*	S	Bend	trans	-112.4	11.9	-177.3	-73.5	-161.3	161.5	0	0	116.9
448	D	41.4	Very low	49	Very low	167 Å²	167	130.5 Å²	130.5	89%	0.893	72%	0.722	S	S	*	*			trans	-112	40	175.7	-78.7	-19.1	0	0	0	114.2
449	E	38.2	Very low	47	Very low	180 Å²	180	136.8 Å²	136.8	84%	0.841	76%	0.758	S	S	*	*			trans	-116.5	84.1	160.5	-76.3	-165.6	172.8	0	0	111
450	Y	52.7	Low	45.3	Very low	304 Å²	304	143 Å²	143	100%	1.192	78%	0.783	S	S	*	*			trans	-136.9	0	155.3	-84.4	-72.8	0	0	0	111.9

Retrieved 450 of 450 residues in 1265.9 ms (Link to these results)

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