A0A087X612_POEFO Loading...

Phenylalanine--tRNA ligase alpha subunit

AlphaFold DB , UniProt , Accession A0A087X612, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 497 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	69.6	Low	240 Å²	240	64.8 Å²	64.8	100%	1.182	37%	0.371	S	S	*	.				0	125.7	0	-75.1	-177.9	-116.8	0	0	106.3
2	A	44.6	Very low	71	Confident	32 Å²	32	66.9 Å²	66.9	26%	0.264	38%	0.375	S	S	.	.			trans	-61.7	138.4	172.2	0	0	0	0	0	108.2	T4 V7	A2-T4 PolarHBondContact O-N 2.77Å; A2-V7 HydrophobicContact CB-CG2 4.28Å
3	D	57.1	Low	72.1	Confident	112 Å²	112	70.5 Å²	70.5	60%	0.599	38%	0.379	S	S	*	.			trans	-53.9	127.6	178.9	-167.4	-6.2	0	0	0	109.5	G5 V6 V7	D3-G5 PolarHBondContact O-N 3.26Å; D3-G5 VanDerWaalsContact O-N 3.11Å; D3-V6 HydrophobicContact CB-CG2 4.03Å; D3-V6 WeakPolarHBondContact O-CB 3.46Å; D3-V6 PolarHBondContact O-N 2.86Å; D3-V7 PolarHBondContact O-N 3.29Å
4	T	62	Low	73.2	Confident	106 Å²	106	65.6 Å²	65.6	65%	0.65	35%	0.353	S	S	*	.	H	α-helix	trans	-53.6	-34.5	-176.3	3.6	0	0	0	0	111.5	A2 V6 V7 E8	A2-T4 PolarHBondContact O-N 2.77Å; T4-V6 VanDerWaalsContact C-N 3.32Å; T4-V6 PolarHBondContact O-N 3.49Å; T4-V7 PolarHBondContact O-N 2.76Å; T4-E8 PolarHBondContact O-N 3.09Å; T4-E8 VanDerWaalsContact O-N 3.15Å
5	G	69.6	Low	74	Confident	33 Å²	33	67.5 Å²	67.5	34%	0.34	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-32.4	175.8	0	0	0	0	0	113.8	D3 T9	D3-G5 PolarHBondContact O-N 3.26Å; D3-G5 VanDerWaalsContact O-N 3.11Å; G5-T9 WeakPolarHBondContact O-CB 3.38Å; G5-T9 PolarHBondContact O-N 3.38Å; G5-T9 PolarHBondContact O-OG1 3.29Å
6	V	77.2	Confident	74.7	Confident	28 Å²	28	73.3 Å²	73.3	17%	0.17	38%	0.38	C	S	.	.	H	α-helix	trans	-72.8	-36.5	177.4	178.4	0	0	0	0	110.9	D3 T4 F10 V36 I37	D3-V6 HydrophobicContact CB-CG2 4.03Å; D3-V6 WeakPolarHBondContact O-CB 3.46Å; D3-V6 PolarHBondContact O-N 2.86Å; T4-V6 VanDerWaalsContact C-N 3.32Å; T4-V6 PolarHBondContact O-N 3.49Å; V6-F10 WeakPolarHBondContact O-CB 3.26Å; V6-F10 PolarHBondContact O-N 2.92Å; V6-V36 HydrophobicContact CG1-CG1 3.82Å; V6-I37 HydrophobicContact CG1-CD1 4.23Å
7	V	80.3	Confident	75.2	Confident	19 Å²	19	71.4 Å²	71.4	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-67.5	-43	177.7	-179.1	0	0	0	0	111.3	A2 D3 T4 F10 L11 A40 L44 V185	A2-V7 HydrophobicContact CB-CG2 4.28Å; D3-V7 PolarHBondContact O-N 3.29Å; T4-V7 PolarHBondContact O-N 2.76Å; V7-F10 WeakPolarHBondContact O-CB 3.39Å; V7-F10 PolarHBondContact O-N 2.85Å; V7-L11 HydrophobicContact CG1-CD1 4.21Å; V7-L11 WeakPolarHBondContact O-CG 3.26Å; V7-L11 PolarHBondContact O-N 3.18Å; V7-A40 HydrophobicContact CG2-CB 4.03Å; V7-L44 HydrophobicContact CG1-CD1 4.06Å; V7-L44 HydrophobicContact CG1-CD2 3.89Å; V7-L44 HydrophobicContact CG1-CG 4.06Å; V7-V185 HydrophobicContact CG1-CG2 4.34Å
8	E	81.6	Confident	75.1	Confident	79 Å²	79	75.9 Å²	75.9	37%	0.369	40%	0.397	S	S	.	.	H	α-helix	trans	-66	-45.8	176.6	-71.2	178.6	174.9	0	0	111.7	T4 F10 L11 Q12	T4-E8 PolarHBondContact O-N 3.09Å; T4-E8 VanDerWaalsContact O-N 3.15Å; E8-F10 VanDerWaalsContact C-N 3.29Å; E8-F10 PolarHBondContact O-N 3.32Å; E8-L11 PolarHBondContact O-N 3.06Å; E8-Q12 WeakPolarHBondContact O-CG 3.33Å; E8-Q12 PolarHBondContact O-N 3.46Å
9	T	82.9	Confident	75	Confident	64 Å²	64	75.4 Å²	75.4	39%	0.393	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-38.1	176.9	-51.4	0	0	0	0	111.4	G5 R13 L30	G5-T9 WeakPolarHBondContact O-CB 3.38Å; G5-T9 PolarHBondContact O-N 3.38Å; G5-T9 PolarHBondContact O-OG1 3.29Å; T9-R13 PolarHBondContact O-N 3.29Å; T9-L30 HydrophobicContact CG2-CD2 3.69Å
10	F	86	Confident	75.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-60.7	-50	172.5	166.7	-98	0	0	0	111.8	V6 V7 E8 Q12 R13 I14 V26 I37 V41 L44 I51 I175	V6-F10 WeakPolarHBondContact O-CB 3.26Å; V6-F10 PolarHBondContact O-N 2.92Å; V7-F10 WeakPolarHBondContact O-CB 3.39Å; V7-F10 PolarHBondContact O-N 2.85Å; E8-F10 VanDerWaalsContact C-N 3.29Å; E8-F10 PolarHBondContact O-N 3.32Å; F10-Q12 PolarHBondContact O-N 2.7Å; F10-R13 WeakPolarHBondContact O-CB 3.36Å; F10-R13 PolarHBondContact O-N 3.46Å; F10-R13 VanDerWaalsContact O-N 3.08Å; F10-I14 HydrophobicContact CD2-CG1 4.44Å; F10-I14 HydrophobicContact CE1-CG1 4.13Å; F10-I14 HydrophobicContact CE2-CD1 4.12Å; F10-I14 HydrophobicContact CE2-CG1 3.99Å; F10-I14 HydrophobicContact CZ-CD1 4.22Å; F10-I14 HydrophobicContact CZ-CG1 3.84Å; F10-I14 WeakPolarHBondContact O-CG1 3.28Å; F10-I14 PolarHBondContact O-N 3.02Å; F10-V26 HydrophobicContact CD2-CG1 3.7Å; F10-V26 HydrophobicContact CE2-CG1 4.07Å; F10-I37 HydrophobicContact CD2-CD1 4.24Å; F10-I37 HydrophobicContact CD2-CG2 4.05Å; F10-I37 HydrophobicContact CE2-CG2 3.82Å; F10-V41 HydrophobicContact CE2-CG2 4.29Å; F10-V41 HydrophobicContact CZ-CG2 3.79Å; F10-L44 HydrophobicContact CD1-CD1 3.62Å; F10-L44 HydrophobicContact CE1-CD1 3.42Å; F10-L44 VanDerWaalsContact CE1-CD1 3.42Å; F10-I51 HydrophobicContact CE1-CD1 4.23Å; F10-I51 HydrophobicContact CZ-CD1 4.45Å; F10-I175 HydrophobicContact CE2-CD1 3.85Å; F10-I175 HydrophobicContact CZ-CD1 3.84Å; F10-I175 HydrophobicContact CZ-CG1 4.46Å; F10-I175 HydrophobicContact CZ-CG2 4.06Å
11	L	86.1	Confident	76.2	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-43.2	178.1	-74.2	167	0	0	0	111.8	V7 E8 R13 I14 E15 L44 V50 I51 F181 V185	V7-L11 HydrophobicContact CG1-CD1 4.21Å; V7-L11 WeakPolarHBondContact O-CG 3.26Å; V7-L11 PolarHBondContact O-N 3.18Å; E8-L11 PolarHBondContact O-N 3.06Å; L11-R13 PolarHBondContact O-N 3.44Å; L11-I14 PolarHBondContact O-N 3.14Å; L11-E15 PolarHBondContact O-N 3.25Å; L11-L44 HydrophobicContact CD1-CD1 4.44Å; L11-L44 HydrophobicContact CD1-CD2 3.92Å; L11-L44 HydrophobicContact CD2-CD1 3.78Å; L11-L44 HydrophobicContact CD2-CD2 4.21Å; L11-L44 HydrophobicContact CG-CD1 4.03Å; L11-L44 HydrophobicContact CG-CD2 4.37Å; L11-V50 HydrophobicContact CD2-CG1 4.24Å; L11-I51 HydrophobicContact CD2-CG2 4.08Å; L11-F181 HydrophobicContact CD2-CD2 4.47Å; L11-F181 HydrophobicContact CD2-CE2 3.86Å; L11-F181 HydrophobicContact CD2-CZ 4.46Å; L11-F181 WeakPolarHBondContact O-CZ 3.48Å; L11-V185 HydrophobicContact CD1-CG2 3.66Å
12	Q	86.3	Confident	78.6	Confident	90 Å²	90	58.6 Å²	58.6	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-31.7	173.6	-71.7	174.8	5.1	0	0	112.7	E8 F10 E15 K16 T183	E8-Q12 WeakPolarHBondContact O-CG 3.33Å; E8-Q12 PolarHBondContact O-N 3.46Å; F10-Q12 PolarHBondContact O-N 2.7Å; Q12-E15 WeakPolarHBondContact O-CB 3.5Å; Q12-K16 WeakPolarHBondContact O-CG 3.2Å; Q12-K16 PolarHBondContact O-N 3.47Å; Q12-T183 HydrophobicContact CG-CG2 4.4Å
13	R	85.3	Confident	80.9	Confident	113 Å²	113	57.1 Å²	57.1	43%	0.426	32%	0.317	S	S	.	.	H	α-helix	trans	-71.6	-45.7	175	-175.1	59.7	174	-178	2.6	111.1	T9 F10 L11 E15 K16 V17	T9-R13 PolarHBondContact O-N 3.29Å; F10-R13 WeakPolarHBondContact O-CB 3.36Å; F10-R13 PolarHBondContact O-N 3.46Å; F10-R13 VanDerWaalsContact O-N 3.08Å; L11-R13 PolarHBondContact O-N 3.44Å; R13-E15 PolarHBondContact O-N 2.92Å; R13-K16 PolarHBondContact O-N 3.47Å; R13-K16 VanDerWaalsContact O-N 3.13Å; R13-V17 WeakPolarHBondContact O-CG2 3.44Å
14	I	86.4	Confident	82.4	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-32.6	175.8	-61.4	-58.5	0	0	0	111.2	F10 L11 K16 V17 A21 V26 I175 K177 F181	F10-I14 HydrophobicContact CD2-CG1 4.44Å; F10-I14 HydrophobicContact CE1-CG1 4.13Å; F10-I14 HydrophobicContact CE2-CD1 4.12Å; F10-I14 HydrophobicContact CE2-CG1 3.99Å; F10-I14 HydrophobicContact CZ-CD1 4.22Å; F10-I14 HydrophobicContact CZ-CG1 3.84Å; F10-I14 WeakPolarHBondContact O-CG1 3.28Å; F10-I14 PolarHBondContact O-N 3.02Å; L11-I14 PolarHBondContact O-N 3.14Å; I14-K16 VanDerWaalsContact C-N 3.27Å; I14-K16 PolarHBondContact O-N 3.45Å; I14-V17 PolarHBondContact O-N 3.02Å; I14-A21 HydrophobicContact CD1-CB 3.78Å; I14-V26 HydrophobicContact CD1-CG2 4.45Å; I14-I175 HydrophobicContact CD1-CB 4.17Å; I14-I175 HydrophobicContact CD1-CG2 3.9Å; I14-I175 HydrophobicContact CG1-CG2 4.21Å; I14-K177 HydrophobicContact CG2-CG 4.04Å; I14-K177 WeakPolarHBondContact O-CE 3.5Å; I14-F181 HydrophobicContact CB-CE2 4.08Å; I14-F181 HydrophobicContact CB-CZ 4.25Å; I14-F181 HydrophobicContact CG2-CE2 3.67Å; I14-F181 HydrophobicContact CG2-CZ 4.13Å
15	E	86.3	Confident	83.6	Confident	93 Å²	93	57.5 Å²	57.5	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-57.9	-39.6	173.9	-172.5	177.7	-140.7	0	0	112.3	L11 Q12 R13 K177 F181 T183	L11-E15 PolarHBondContact O-N 3.25Å; Q12-E15 WeakPolarHBondContact O-CB 3.5Å; R13-E15 PolarHBondContact O-N 2.92Å; E15-K177 WeakPolarHBondContact O-CE 3.41Å; E15-K177 PolarHBondContact O-NZ 2.69Å; E15-F181 HydrophobicContact CB-CE1 3.89Å; E15-F181 HydrophobicContact CB-CZ 3.99Å; E15-F181 HydrophobicContact CG-CE1 4.19Å; E15-T183 HydrophobicContact CB-CG2 4.22Å; E15-T183 HydrophobicContact CG-CG2 4.37Å; E15-T183 WeakPolarHBondContact OE2-CG2 3.21Å
16	K	84.4	Confident	84.5	Confident	160 Å²	160	56.1 Å²	56.1	70%	0.696	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.6	-176	-67.7	176.2	-177.9	176.9	0	114.9	Q12 R13 I14	Q12-K16 WeakPolarHBondContact O-CG 3.2Å; Q12-K16 PolarHBondContact O-N 3.47Å; R13-K16 PolarHBondContact O-N 3.47Å; R13-K16 VanDerWaalsContact O-N 3.13Å; I14-K16 VanDerWaalsContact C-N 3.27Å; I14-K16 PolarHBondContact O-N 3.45Å
17	V	83.6	Confident	85.1	Confident	41 Å²	41	55 Å²	55	25%	0.248	29%	0.286	C	S	.	.			trans	-107.1	126.1	-178.4	-176.5	0	0	0	0	109.6	R13 I14 G20 A21	R13-V17 WeakPolarHBondContact O-CG2 3.44Å; I14-V17 PolarHBondContact O-N 3.02Å; V17-G20 WeakPolarHBondContact CG1-O 3.48Å; V17-A21 HydrophobicContact CG1-CB 4.36Å
18	D	73.2	Confident	85.4	Confident	153 Å²	153	57.8 Å²	57.8	82%	0.818	31%	0.311	S	S	*	.	S	Bend	trans	-92.3	123.7	174.5	-71.7	-31.3	0	0	0	110
19	G	73	Confident	85.6	Confident	67 Å²	67	57.1 Å²	57.1	69%	0.691	32%	0.316	S	S	*	.	S	Bend	trans	96.7	-16.3	176.2	0	0	0	0	0	116.5
20	G	85.1	Confident	85.8	Confident	11 Å²	11	56.6 Å²	56.6	11%	0.113	31%	0.31	C	S	.	.			trans	123.5	167.5	173.7	0	0	0	0	0	114.2	V17 I175	V17-G20 WeakPolarHBondContact CG1-O 3.48Å; G20-I175 CarbonylContact C-O 3.53Å; G20-I175 WeakPolarHBondContact CA-O 3.41Å
21	A	89.9	Confident	85.8	Confident	6 Å²	6	60 Å²	60	5%	0.05	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.5	-177.7	0	0	0	0	0	112	I14 V17 V26 I175	I14-A21 HydrophobicContact CD1-CB 3.78Å; V17-A21 HydrophobicContact CG1-CB 4.36Å; A21-V26 HydrophobicContact CB-CG2 3.7Å; A21-I175 PolarHBondContact N-O 3.15Å; A21-I175 PolarHBondContact O-N 3.05Å
22	D	90.9	Very high	85.9	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.112	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.1	172.9	-169.6	-70	0	0	0	111	Q24 E25 V26 S172 W174	D22-Q24 PolarHBondContact O-N 2.97Å; D22-Q24 VanDerWaalsContact O-N 3.11Å; D22-Q24 VanDerWaalsContact OD1-CB 3.24Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.45Å; D22-Q24 PolarHBondContact OD1-N 3.16Å; D22-E25 HydrophobicContact CB-CB 4.35Å; D22-E25 HydrophobicContact CB-CG 4.06Å; D22-E25 PolarHBondContact O-N 3.36Å; D22-E25 VanDerWaalsContact O-N 3.13Å; D22-V26 VanDerWaalsContact O-CG2 3.31Å; D22-V26 WeakPolarHBondContact O-CG2 3.25Å; D22-V26 PolarHBondContact O-N 2.99Å; D22-S172 VanDerWaalsContact OD1-CB 3.27Å; D22-S172 WeakPolarHBondContact OD1-CB 3.43Å; D22-S172 WeakPolarHBondContact OD2-CB 3.47Å; D22-S172 PolarHBondContact OD2-OG 3Å; D22-W174 HydrophobicContact CB-CE3 4.15Å; D22-W174 HydrophobicContact CB-CZ3 4.22Å
23	S	91	Very high	86	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-53.4	-30.8	179	60.4	0	0	0	0	114.8	A27 H34 Y173	S23-A27 VanDerWaalsContact O-CB 3.32Å; S23-A27 WeakPolarHBondContact O-CB 3.37Å; S23-A27 PolarHBondContact O-N 2.65Å; S23-H34 PolarHBondContact OG-NE2 3.27Å; S23-Y173 PolarHBondContact N-O 2.91Å; S23-Y173 PolarHBondContact OG-N 2.81Å; S23-Y173 PolarHBondContact OG-O 3.31Å
24	Q	89.1	Confident	86.2	Confident	93 Å²	93	59 Å²	59	44%	0.435	35%	0.352	S	S	.	.	H	α-helix	trans	-78.3	-39.5	-179.1	-160.2	173.4	20.6	0	0	110.8	D22 V26 A27 A28	D22-Q24 PolarHBondContact O-N 2.97Å; D22-Q24 VanDerWaalsContact O-N 3.11Å; D22-Q24 VanDerWaalsContact OD1-CB 3.24Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.45Å; D22-Q24 PolarHBondContact OD1-N 3.16Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-A27 PolarHBondContact O-N 2.84Å; Q24-A28 WeakPolarHBondContact O-CB 3.23Å; Q24-A28 PolarHBondContact O-N 2.87Å
25	E	87.8	Confident	86.2	Confident	134 Å²	134	65 Å²	65	63%	0.626	38%	0.38	S	S	*	.	H	α-helix	trans	-64.8	-41.3	171.8	-66.1	178.3	175.6	0	0	111.2	D22 A28 S29	D22-E25 HydrophobicContact CB-CB 4.35Å; D22-E25 HydrophobicContact CB-CG 4.06Å; D22-E25 PolarHBondContact O-N 3.36Å; D22-E25 VanDerWaalsContact O-N 3.13Å; E25-A28 PolarHBondContact O-N 2.93Å; E25-S29 WeakPolarHBondContact O-CB 3.41Å; E25-S29 PolarHBondContact O-N 2.88Å; E25-S29 PolarHBondContact O-OG 3.32Å
26	V	88.2	Confident	86.3	Confident	4 Å²	4	63 Å²	63	2%	0.024	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-46	176.6	176.4	0	0	0	0	110.4	F10 I14 A21 D22 Q24 A28 S29 L30 I37	F10-V26 HydrophobicContact CD2-CG1 3.7Å; F10-V26 HydrophobicContact CE2-CG1 4.07Å; I14-V26 HydrophobicContact CD1-CG2 4.45Å; A21-V26 HydrophobicContact CB-CG2 3.7Å; D22-V26 VanDerWaalsContact O-CG2 3.31Å; D22-V26 WeakPolarHBondContact O-CG2 3.25Å; D22-V26 PolarHBondContact O-N 2.99Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; V26-A28 PolarHBondContact O-N 3.31Å; V26-S29 PolarHBondContact O-N 3.26Å; V26-S29 PolarHBondContact O-OG 2.7Å; V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 HydrophobicContact CG1-CG 4.44Å; V26-L30 WeakPolarHBondContact O-CB 3.5Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 2.93Å; V26-I37 HydrophobicContact CG1-CD1 4.4Å
27	A	89.5	Confident	86.5	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-47.5	175.8	0	0	0	0	0	112.1	S23 Q24 S29 L30 G31 V32 H34 I37	S23-A27 VanDerWaalsContact O-CB 3.32Å; S23-A27 WeakPolarHBondContact O-CB 3.37Å; S23-A27 PolarHBondContact O-N 2.65Å; Q24-A27 PolarHBondContact O-N 2.84Å; A27-S29 PolarHBondContact O-N 3.19Å; A27-L30 PolarHBondContact O-N 2.82Å; A27-G31 PolarHBondContact O-N 3.38Å; A27-V32 HydrophobicContact CB-CG2 4.42Å; A27-V32 PolarHBondContact O-N 3.46Å; A27-V32 VanDerWaalsContact O-N 3.09Å; A27-H34 HydrophobicContact CB-CB 4.25Å; A27-I37 HydrophobicContact CB-CB 4.4Å; A27-I37 HydrophobicContact CB-CG1 3.69Å
28	A	87.6	Confident	86.8	Confident	78 Å²	78	54.2 Å²	54.2	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-61.1	-42.6	177	0	0	0	0	0	112.2	Q24 E25 V26 L30 G31	Q24-A28 WeakPolarHBondContact O-CB 3.23Å; Q24-A28 PolarHBondContact O-N 2.87Å; E25-A28 PolarHBondContact O-N 2.93Å; V26-A28 PolarHBondContact O-N 3.31Å; A28-L30 VanDerWaalsContact C-N 3.28Å; A28-L30 PolarHBondContact O-N 2.9Å; A28-G31 PolarHBondContact O-N 3.11Å
29	S	85.9	Confident	87.4	Confident	66 Å²	66	48.2 Å²	48.2	46%	0.462	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-28.5	179.3	75.2	0	0	0	0	113.7	E25 V26 A27	E25-S29 WeakPolarHBondContact O-CB 3.41Å; E25-S29 PolarHBondContact O-N 2.88Å; E25-S29 PolarHBondContact O-OG 3.32Å; V26-S29 PolarHBondContact O-N 3.26Å; V26-S29 PolarHBondContact O-OG 2.7Å; A27-S29 PolarHBondContact O-N 3.19Å
30	L	85.3	Confident	88	Confident	52 Å²	52	45 Å²	45	27%	0.272	28%	0.275	S	S	.	.	H	α-helix	trans	-92.3	-4.9	178.8	-66.5	175.7	0	0	0	112.5	T9 V26 A27 A28 V32 I37	T9-L30 HydrophobicContact CG2-CD2 3.69Å; V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 HydrophobicContact CG1-CG 4.44Å; V26-L30 WeakPolarHBondContact O-CB 3.5Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 2.93Å; A27-L30 PolarHBondContact O-N 2.82Å; A28-L30 VanDerWaalsContact C-N 3.28Å; A28-L30 PolarHBondContact O-N 2.9Å; L30-V32 VanDerWaalsContact C-N 3.26Å; L30-V32 HydrophobicContact CB-CG1 4.49Å; L30-V32 HydrophobicContact CB-CG2 4.02Å; L30-V32 PolarHBondContact O-N 2.94Å; L30-I37 HydrophobicContact CD1-CD1 3.93Å
31	G	87.1	Confident	88.1	Confident	72 Å²	72	44.5 Å²	44.5	74%	0.742	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	27.9	-178.2	0	0	0	0	0	113.7	A27 A28	A27-G31 PolarHBondContact O-N 3.38Å; A28-G31 PolarHBondContact O-N 3.11Å
32	V	88.6	Confident	87.9	Confident	45 Å²	45	49.7 Å²	49.7	27%	0.273	29%	0.291	S	S	.	.	S	Bend	trans	-115.8	157.6	-178.6	-60.8	0	0	0	0	111.5	A27 L30 I37	A27-V32 HydrophobicContact CB-CG2 4.42Å; A27-V32 PolarHBondContact O-N 3.46Å; A27-V32 VanDerWaalsContact O-N 3.09Å; L30-V32 VanDerWaalsContact C-N 3.26Å; L30-V32 HydrophobicContact CB-CG1 4.49Å; L30-V32 HydrophobicContact CB-CG2 4.02Å; L30-V32 PolarHBondContact O-N 2.94Å; V32-I37 HydrophobicContact CG2-CD1 3.81Å; V32-I37 HydrophobicContact CG2-CG1 3.88Å
33	D	88.3	Confident	87.5	Confident	105 Å²	105	51.2 Å²	51.2	56%	0.561	30%	0.304	S	S	*	.			trans	-62.8	140.5	173.3	-174.1	-83.7	0	0	0	111.1	Q35 V36	D33-Q35 PolarHBondContact O-N 2.76Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.16Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.49Å; D33-Q35 PolarHBondContact OD1-N 2.95Å; D33-V36 HydrophobicContact CB-CG2 4.23Å; D33-V36 VanDerWaalsContact O-CB 3.3Å; D33-V36 WeakPolarHBondContact O-CB 3.17Å; D33-V36 PolarHBondContact O-N 2.8Å
34	H	88.7	Confident	87.1	Confident	33 Å²	33	51.3 Å²	51.3	15%	0.153	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-32.8	-177.9	179.7	-126.9	0	0	0	113	S23 A27 V36 I37 V38 K171	S23-H34 PolarHBondContact OG-NE2 3.27Å; A27-H34 HydrophobicContact CB-CB 4.25Å; H34-V36 PolarHBondContact O-N 3.12Å; H34-I37 PolarHBondContact O-N 3.2Å; H34-I37 VanDerWaalsContact O-N 3.17Å; H34-V38 WeakPolarHBondContact O-CG2 3.48Å; H34-V38 PolarHBondContact O-N 3.33Å; H34-K171 PolarHBondContact CE1-O 3.49Å; H34-K171 VanDerWaalsContact CE1-O 3.23Å
35	Q	87.6	Confident	86.7	Confident	129 Å²	129	50.7 Å²	50.7	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-63	-28.1	176.8	-64	-58	-44.5	0	0	112.8	D33 V38 G39	D33-Q35 PolarHBondContact O-N 2.76Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.16Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.49Å; D33-Q35 PolarHBondContact OD1-N 2.95Å; Q35-V38 PolarHBondContact O-N 3.28Å; Q35-G39 PolarHBondContact O-N 3.46Å
36	V	86.8	Confident	86.1	Confident	50 Å²	50	50 Å²	50	30%	0.303	31%	0.306	S	S	.	.	H	α-helix	trans	-66.5	-45.4	176.1	-176.3	0	0	0	0	110.1	V6 D33 H34 G39 A40	V6-V36 HydrophobicContact CG1-CG1 3.82Å; D33-V36 HydrophobicContact CB-CG2 4.23Å; D33-V36 VanDerWaalsContact O-CB 3.3Å; D33-V36 WeakPolarHBondContact O-CB 3.17Å; D33-V36 PolarHBondContact O-N 2.8Å; H34-V36 PolarHBondContact O-N 3.12Å; V36-G39 PolarHBondContact O-N 3Å; V36-A40 PolarHBondContact O-N 2.77Å
37	I	89.9	Confident	85.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-41.1	176.7	-59	-54.1	0	0	0	111	V6 F10 V26 A27 L30 V32 H34 G39 A40 V41	V6-I37 HydrophobicContact CG1-CD1 4.23Å; F10-I37 HydrophobicContact CD2-CD1 4.24Å; F10-I37 HydrophobicContact CD2-CG2 4.05Å; F10-I37 HydrophobicContact CE2-CG2 3.82Å; V26-I37 HydrophobicContact CG1-CD1 4.4Å; A27-I37 HydrophobicContact CB-CB 4.4Å; A27-I37 HydrophobicContact CB-CG1 3.69Å; L30-I37 HydrophobicContact CD1-CD1 3.93Å; V32-I37 HydrophobicContact CG2-CD1 3.81Å; V32-I37 HydrophobicContact CG2-CG1 3.88Å; H34-I37 PolarHBondContact O-N 3.2Å; H34-I37 VanDerWaalsContact O-N 3.17Å; I37-G39 VanDerWaalsContact C-N 3.29Å; I37-G39 PolarHBondContact O-N 2.67Å; I37-A40 WeakPolarHBondContact O-CB 3.29Å; I37-A40 PolarHBondContact O-N 3.5Å; I37-A40 VanDerWaalsContact O-N 3.15Å; I37-V41 HydrophobicContact CG2-CG2 4.32Å; I37-V41 WeakPolarHBondContact O-CG2 3.4Å; I37-V41 PolarHBondContact O-N 2.88Å
38	V	88.5	Confident	84.3	Confident	16 Å²	16	55.8 Å²	55.8	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-41.5	174.3	171.8	0	0	0	0	111.5	H34 Q35 V41 K42 Y173	H34-V38 WeakPolarHBondContact O-CG2 3.48Å; H34-V38 PolarHBondContact O-N 3.33Å; Q35-V38 PolarHBondContact O-N 3.28Å; V38-V41 PolarHBondContact O-N 3.11Å; V38-K42 WeakPolarHBondContact O-CG 3.49Å; V38-K42 PolarHBondContact O-N 3.08Å; V38-K42 VanDerWaalsContact O-N 3.11Å; V38-Y173 HydrophobicContact CG1-CE2 3.99Å; V38-Y173 HydrophobicContact CG2-CD2 4.26Å; V38-Y173 HydrophobicContact CG2-CE2 4.32Å
39	G	85.7	Confident	83.8	Confident	28 Å²	28	55.3 Å²	55.3	29%	0.289	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-40.8	174.6	0	0	0	0	0	113	Q35 V36 I37 S43	Q35-G39 PolarHBondContact O-N 3.46Å; V36-G39 PolarHBondContact O-N 3Å; I37-G39 VanDerWaalsContact C-N 3.29Å; I37-G39 PolarHBondContact O-N 2.67Å; G39-S43 WeakPolarHBondContact O-CB 3.37Å; G39-S43 PolarHBondContact O-N 3.35Å; G39-S43 PolarHBondContact O-OG 3.26Å
40	A	86.4	Confident	83.7	Confident	0 Å²	0	53 Å²	53	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-45.9	176.2	0	0	0	0	0	112	V7 V36 I37 K42 S43 L44	V7-A40 HydrophobicContact CG2-CB 4.03Å; V36-A40 PolarHBondContact O-N 2.77Å; I37-A40 WeakPolarHBondContact O-CB 3.29Å; I37-A40 PolarHBondContact O-N 3.5Å; I37-A40 VanDerWaalsContact O-N 3.15Å; A40-K42 PolarHBondContact O-N 3Å; A40-S43 WeakPolarHBondContact O-CB 3.11Å; A40-S43 PolarHBondContact O-N 3.18Å; A40-S43 VanDerWaalsContact O-N 3.15Å; A40-L44 WeakPolarHBondContact O-CG 3.03Å; A40-L44 PolarHBondContact O-N 3.25Å
41	V	88.3	Confident	83.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.6	-50.3	177	169.8	0	0	0	0	110.8	F10 I37 V38 S43 L44 Q45 I51 A53 Y173 I175	F10-V41 HydrophobicContact CE2-CG2 4.29Å; F10-V41 HydrophobicContact CZ-CG2 3.79Å; I37-V41 HydrophobicContact CG2-CG2 4.32Å; I37-V41 WeakPolarHBondContact O-CG2 3.4Å; I37-V41 PolarHBondContact O-N 2.88Å; V38-V41 PolarHBondContact O-N 3.11Å; V41-S43 VanDerWaalsContact C-N 3.3Å; V41-S43 PolarHBondContact O-N 2.97Å; V41-L44 PolarHBondContact O-N 3.07Å; V41-Q45 WeakPolarHBondContact O-CG 3.43Å; V41-Q45 PolarHBondContact O-N 3.16Å; V41-I51 HydrophobicContact CB-CD1 4.38Å; V41-I51 HydrophobicContact CG1-CD1 4.12Å; V41-I51 HydrophobicContact CG2-CD1 4.38Å; V41-A53 HydrophobicContact CG1-CB 3.53Å; V41-Y173 HydrophobicContact CG1-CD1 4.34Å; V41-Y173 HydrophobicContact CG1-CG 4.21Å; V41-I175 HydrophobicContact CG2-CD1 3.67Å; V41-I175 HydrophobicContact CG2-CG1 4Å
42	K	85.4	Confident	83.8	Confident	115 Å²	115	50.3 Å²	50.3	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-40.1	177.2	-72.8	-178.4	178.2	-177.7	0	112.4	V38 A40 Q45 T46	V38-K42 WeakPolarHBondContact O-CG 3.49Å; V38-K42 PolarHBondContact O-N 3.08Å; V38-K42 VanDerWaalsContact O-N 3.11Å; A40-K42 PolarHBondContact O-N 3Å; K42-Q45 PolarHBondContact O-N 3.46Å; K42-T46 PolarHBondContact O-N 3.32Å
43	S	82.6	Confident	83.9	Confident	53 Å²	53	49 Å²	49	37%	0.371	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-44.1	177.9	-57.8	0	0	0	0	110.9	G39 A40 V41 Q45 T46 L47	G39-S43 WeakPolarHBondContact O-CB 3.37Å; G39-S43 PolarHBondContact O-N 3.35Å; G39-S43 PolarHBondContact O-OG 3.26Å; A40-S43 WeakPolarHBondContact O-CB 3.11Å; A40-S43 PolarHBondContact O-N 3.18Å; A40-S43 VanDerWaalsContact O-N 3.15Å; V41-S43 VanDerWaalsContact C-N 3.3Å; V41-S43 PolarHBondContact O-N 2.97Å; S43-Q45 PolarHBondContact O-N 3.35Å; S43-T46 PolarHBondContact O-N 3.21Å; S43-T46 VanDerWaalsContact O-N 3.13Å; S43-T46 PolarHBondContact O-OG1 3.48Å; S43-L47 PolarHBondContact O-N 3.4Å
44	L	82.3	Confident	83.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-34.8	178.6	-70.3	166.2	0	0	0	113	V7 F10 L11 A40 V41 T46 L47 V50 I51 V185	V7-L44 HydrophobicContact CG1-CD1 4.06Å; V7-L44 HydrophobicContact CG1-CD2 3.89Å; V7-L44 HydrophobicContact CG1-CG 4.06Å; F10-L44 HydrophobicContact CD1-CD1 3.62Å; F10-L44 HydrophobicContact CE1-CD1 3.42Å; F10-L44 VanDerWaalsContact CE1-CD1 3.42Å; L11-L44 HydrophobicContact CD1-CD1 4.44Å; L11-L44 HydrophobicContact CD1-CD2 3.92Å; L11-L44 HydrophobicContact CD2-CD1 3.78Å; L11-L44 HydrophobicContact CD2-CD2 4.21Å; L11-L44 HydrophobicContact CG-CD1 4.03Å; L11-L44 HydrophobicContact CG-CD2 4.37Å; A40-L44 WeakPolarHBondContact O-CG 3.03Å; A40-L44 PolarHBondContact O-N 3.25Å; V41-L44 PolarHBondContact O-N 3.07Å; L44-T46 PolarHBondContact O-N 3.29Å; L44-L47 HydrophobicContact CD2-CD1 4.14Å; L44-L47 PolarHBondContact O-N 3.41Å; L44-L47 VanDerWaalsContact O-N 3.1Å; L44-V50 HydrophobicContact CD2-CG1 4.27Å; L44-I51 HydrophobicContact CB-CD1 3.68Å; L44-I51 HydrophobicContact CB-CG1 3.84Å; L44-I51 HydrophobicContact CD1-CD1 3.97Å; L44-V185 HydrophobicContact CD2-CG2 3.99Å
45	Q	80.7	Confident	84	Confident	81 Å²	81	51.8 Å²	51.8	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-28	171.9	-73.4	-177.1	-54.1	0	0	113	V41 K42 S43 L47	V41-Q45 WeakPolarHBondContact O-CG 3.43Å; V41-Q45 PolarHBondContact O-N 3.16Å; K42-Q45 PolarHBondContact O-N 3.46Å; S43-Q45 PolarHBondContact O-N 3.35Å; Q45-L47 VanDerWaalsContact C-N 3.33Å
46	T	74.3	Confident	84.1	Confident	119 Å²	119	50.2 Å²	50.2	73%	0.73	28%	0.284	S	S	*	.	H	α-helix	trans	-79.6	-15.5	175.4	62.1	0	0	0	0	113.8	K42 S43 L44 G48	K42-T46 PolarHBondContact O-N 3.32Å; S43-T46 PolarHBondContact O-N 3.21Å; S43-T46 VanDerWaalsContact O-N 3.13Å; S43-T46 PolarHBondContact O-OG1 3.48Å; L44-T46 PolarHBondContact O-N 3.29Å; T46-G48 VanDerWaalsContact C-N 3.26Å
47	L	72	Confident	84.2	Confident	85 Å²	85	51.7 Å²	51.7	45%	0.445	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	6.3	177.4	-69	164.2	0	0	0	112.7	S43 L44 Q45 V50 V185	S43-L47 PolarHBondContact O-N 3.4Å; L44-L47 HydrophobicContact CD2-CD1 4.14Å; L44-L47 PolarHBondContact O-N 3.41Å; L44-L47 VanDerWaalsContact O-N 3.1Å; Q45-L47 VanDerWaalsContact C-N 3.33Å; L47-V50 HydrophobicContact CB-CG2 4.22Å; L47-V185 HydrophobicContact CD1-CG1 3.51Å
48	G	69.3	Low	83.9	Confident	44 Å²	44	54.9 Å²	54.9	45%	0.454	32%	0.319	S	S	.	.	S	Bend	trans	103.7	-151.6	178.9	0	0	0	0	0	112.5	T46 V50	T46-G48 VanDerWaalsContact C-N 3.26Å; G48-V50 PolarHBondContact O-N 2.85Å
49	D	76.6	Confident	83.6	Confident	68 Å²	68	60.3 Å²	60.3	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	46.8	-176.8	-168.9	25.2	0	0	0	112.6	G178 N179 S180	D49-G178 CarbonylContact O-C 3.38Å; D49-G178 WeakPolarHBondContact O-CA 3.36Å; D49-N179 PolarHBondContact O-N 2.94Å; D49-N179 WeakPolarHBondContact OD2-CB 3.33Å; D49-N179 VanDerWaalsContact OD2-CG 3.29Å; D49-N179 PolarHBondContact OD2-N 3.44Å; D49-N179 VanDerWaalsContact OD2-N 3.08Å; D49-N179 PolarHBondContact OD2-ND2 3.18Å; D49-S180 WeakPolarHBondContact O-CA 3.46Å; D49-S180 WeakPolarHBondContact O-CB 3.08Å; D49-S180 PolarHBondContact O-N 2.64Å
50	V	83.2	Confident	83.5	Confident	18 Å²	18	62.2 Å²	62.2	11%	0.109	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-43.6	177.9	-176.6	0	0	0	0	110.1	L11 L44 L47 G48 G178 F181	L11-V50 HydrophobicContact CD2-CG1 4.24Å; L44-V50 HydrophobicContact CD2-CG1 4.27Å; L47-V50 HydrophobicContact CB-CG2 4.22Å; G48-V50 PolarHBondContact O-N 2.85Å; V50-G178 PolarHBondContact O-N 3.43Å; V50-G178 VanDerWaalsContact O-N 3.1Å; V50-F181 WeakPolarHBondContact O-CA 3.35Å; V50-F181 WeakPolarHBondContact O-CD2 3.45Å
51	I	87.7	Confident	83.3	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.031	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.5	175	63.7	171	0	0	0	109.7	F10 L11 V41 L44 I175 T176 F181	F10-I51 HydrophobicContact CE1-CD1 4.23Å; F10-I51 HydrophobicContact CZ-CD1 4.45Å; L11-I51 HydrophobicContact CD2-CG2 4.08Å; V41-I51 HydrophobicContact CB-CD1 4.38Å; V41-I51 HydrophobicContact CG1-CD1 4.12Å; V41-I51 HydrophobicContact CG2-CD1 4.38Å; L44-I51 HydrophobicContact CB-CD1 3.68Å; L44-I51 HydrophobicContact CB-CG1 3.84Å; L44-I51 HydrophobicContact CD1-CD1 3.97Å; I51-I175 HydrophobicContact CB-CG2 4.25Å; I51-I175 HydrophobicContact CD1-CG2 4.15Å; I51-I175 HydrophobicContact CG2-CG2 4.47Å; I51-T176 WeakPolarHBondContact CA-O 3.48Å; I51-F181 HydrophobicContact CG2-CD2 4.21Å; I51-F181 HydrophobicContact CG2-CE2 4.34Å
52	S	86.9	Confident	83.3	Confident	60 Å²	60	69 Å²	69	42%	0.42	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.6	164.8	172.2	0	0	0	0	108.8	I175 T176	S52-I175 CarbonylContact O-C 3.56Å; S52-I175 WeakPolarHBondContact O-CA 3.31Å; S52-T176 WeakPolarHBondContact CB-OG1 3.45Å; S52-T176 PolarHBondContact N-O 3.02Å; S52-T176 PolarHBondContact O-N 3.3Å; S52-T176 PolarHBondContact O-OG1 3.34Å
53	A	90.3	Very high	83.4	Confident	17 Å²	17	65 Å²	65	14%	0.14	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.2	-177.5	0	0	0	0	0	110.7	V41 Y173 W174 I175	V41-A53 HydrophobicContact CG1-CB 3.53Å; A53-Y173 HydrophobicContact CB-CD1 3.91Å; A53-Y173 HydrophobicContact CB-CG 4.48Å; A53-W174 WeakPolarHBondContact CA-O 3.45Å; A53-I175 HydrophobicContact CB-CG1 4.29Å
54	E	89.2	Confident	83.7	Confident	106 Å²	106	64.2 Å²	64.2	50%	0.495	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125	176.9	-179.3	-168.3	-164.6	0	0	109.3	R56 Y173 W174	E54-R56 PolarHBondContact O-N 3.24Å; E54-R56 IonicContact OE2-CZ 2.61Å; E54-R56 IonicContact OE2-NE 3.19Å; E54-R56 PolarHBondContact OE2-NE 2.85Å; E54-R56 VanDerWaalsContact OE2-NE 3.13Å; E54-R56 IonicContact OE2-NH2 2.84Å; E54-R56 PolarHBondContact OE2-NH2 2.71Å; E54-Y173 CarbonylContact O-C 3.57Å; E54-Y173 WeakPolarHBondContact O-CA 3.46Å; E54-W174 HydrophobicContact CB-CB 4.34Å; E54-W174 PolarHBondContact N-O 3.07Å; E54-W174 PolarHBondContact O-N 2.87Å
55	L	90.9	Very high	83.9	Confident	91 Å²	91	72.9 Å²	72.9	48%	0.476	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.5	175.1	-176.3	68.8	0	0	0	109.9	K171 Y173	L55-K171 HydrophobicContact CD1-CB 4.13Å; L55-Y173 HydrophobicContact CB-CD1 4.3Å; L55-Y173 HydrophobicContact CB-CE1 4Å; L55-Y173 HydrophobicContact CD1-CD1 4.26Å; L55-Y173 HydrophobicContact CD1-CD2 4.36Å; L55-Y173 HydrophobicContact CD1-CE1 3.87Å; L55-Y173 HydrophobicContact CD1-CE2 3.96Å; L55-Y173 HydrophobicContact CD1-CG 4.49Å
56	R	90.1	Very high	84.2	Confident	97 Å²	97	72.2 Å²	72.2	37%	0.366	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147.9	171.4	-63.4	-172.4	179.2	168.5	3.8	109.9	E54 K171 S172 W174	E54-R56 PolarHBondContact O-N 3.24Å; E54-R56 IonicContact OE2-CZ 2.61Å; E54-R56 IonicContact OE2-NE 3.19Å; E54-R56 PolarHBondContact OE2-NE 2.85Å; E54-R56 VanDerWaalsContact OE2-NE 3.13Å; E54-R56 IonicContact OE2-NH2 2.84Å; E54-R56 PolarHBondContact OE2-NH2 2.71Å; R56-K171 WeakPolarHBondContact O-CA 3.37Å; R56-S172 PolarHBondContact N-O 3.1Å; R56-S172 PolarHBondContact O-N 3.15Å; R56-W174 HydrophobicContact CG-CB 4.31Å; R56-W174 VanDerWaalsContact CZ-CB 3.47Å; R56-W174 VanDerWaalsContact NH1-CE3 3.29Å; R56-W174 VanDerWaalsContact NH2-CD1 3.31Å; R56-W174 VanDerWaalsContact NH2-CG 3.28Å
57	S	87.9	Confident	85	Confident	80 Å²	80	66.6 Å²	66.6	56%	0.559	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	128	175.3	62	0	0	0	0	110.4	V170	S57-V170 WeakPolarHBondContact CA-O 3.46Å
58	S	82.9	Confident	85.7	Confident	67 Å²	67	64.7 Å²	64.7	47%	0.469	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.3	166.2	60.8	0	0	0	0	109.1	T169 V170	S58-T169 WeakPolarHBondContact O-CA 3.41Å; S58-V170 PolarHBondContact N-O 3.43Å; S58-V170 PolarHBondContact O-N 3.3Å
59	K	83.1	Confident	86.6	Confident	131 Å²	131	65.9 Å²	65.9	57%	0.57	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.4	177.2	-64.2	-179	169	-165	0	108.6	E167 V168 T169	K59-E167 WeakPolarHBondContact CD-OE1 3.18Å; K59-E167 IonicContact NZ-OE1 3.68Å; K59-E167 PolarHBondContact NZ-OE1 3.35Å; K59-V168 WeakPolarHBondContact CA-O 3.19Å; K59-T169 HydrophobicContact CG-CG2 4.29Å
60	H	83.4	Confident	87.3	Confident	68 Å²	68	62.7 Å²	62.7	32%	0.315	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162	170.3	67.1	-73.4	0	0	0	109.8	E62 V168	H60-E62 VanDerWaalsContact CD2-CG 3.49Å; H60-E62 WeakPolarHBondContact CD2-CG 3.5Å; H60-E62 IonicContact CD2-OE1 3.82Å; H60-E62 IonicContact CE1-OE1 2.74Å; H60-E62 VanDerWaalsContact NE2-CD 3.27Å; H60-E62 WeakPolarHBondContact NE2-CG 3.38Å; H60-E62 IonicContact NE2-OE1 2.85Å; H60-E62 PolarHBondContact NE2-OE1 3.39Å; H60-V168 PolarHBondContact N-O 3.39Å; H60-V168 PolarHBondContact O-N 2.9Å
61	W	83.1	Confident	87.6	Confident	47 Å²	47	61.8 Å²	61.8	18%	0.178	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	131	-179.8	-68.8	93	0	0	0	109.3	A148 K156 K160 L165 A166 E167	W61-A148 HydrophobicContact CB-CB 4.12Å; W61-K156 HydrophobicContact CH2-CB 4.15Å; W61-K156 HydrophobicContact CZ2-CB 4.12Å; W61-K156 HydrophobicContact CZ2-CD 4.01Å; W61-K160 HydrophobicContact CH2-CD 3.89Å; W61-K160 HydrophobicContact CZ3-CB 4.3Å; W61-K160 HydrophobicContact CZ3-CD 3.95Å; W61-K160 HydrophobicContact CZ3-CG 4.44Å; W61-L165 HydrophobicContact CB-CD1 4.35Å; W61-L165 HydrophobicContact CB-CD2 4.19Å; W61-L165 HydrophobicContact CB-CG 4.31Å; W61-L165 HydrophobicContact CD2-CD2 3.89Å; W61-L165 HydrophobicContact CD2-CG 4.4Å; W61-L165 HydrophobicContact CE3-CD2 3.44Å; W61-L165 VanDerWaalsContact CE3-CD2 3.44Å; W61-L165 HydrophobicContact CE3-CG 3.66Å; W61-L165 HydrophobicContact CG-CD2 4.25Å; W61-L165 HydrophobicContact CZ3-CD2 3.99Å; W61-L165 HydrophobicContact CZ3-CG 4.31Å; W61-A166 WeakPolarHBondContact CA-O 3.4Å; W61-E167 HydrophobicContact CD2-CB 4.18Å; W61-E167 HydrophobicContact CD2-CG 4.48Å; W61-E167 HydrophobicContact CE3-CB 3.81Å; W61-E167 HydrophobicContact CH2-CB 3.91Å; W61-E167 HydrophobicContact CH2-CG 4.46Å; W61-E167 HydrophobicContact CZ2-CB 4.18Å; W61-E167 HydrophobicContact CZ2-CG 4.25Å; W61-E167 HydrophobicContact CZ3-CB 3.7Å
62	E	86.5	Confident	87.6	Confident	94 Å²	94	66.7 Å²	66.7	44%	0.439	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.7	174.9	-65.8	-171.8	164.5	0	0	110.1	H60 L165 A166 V168	H60-E62 VanDerWaalsContact CD2-CG 3.49Å; H60-E62 WeakPolarHBondContact CD2-CG 3.5Å; H60-E62 IonicContact CD2-OE1 3.82Å; H60-E62 IonicContact CE1-OE1 2.74Å; H60-E62 VanDerWaalsContact NE2-CD 3.27Å; H60-E62 WeakPolarHBondContact NE2-CG 3.38Å; H60-E62 IonicContact NE2-OE1 2.85Å; H60-E62 PolarHBondContact NE2-OE1 3.39Å; E62-L165 WeakPolarHBondContact O-CD1 3.36Å; E62-A166 PolarHBondContact N-O 3.21Å; E62-A166 PolarHBondContact O-N 2.92Å; E62-V168 HydrophobicContact CB-CG2 4.06Å; E62-V168 HydrophobicContact CG-CG2 3.99Å
63	L	87.8	Confident	87.6	Confident	33 Å²	33	68.9 Å²	68.9	17%	0.173	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	141.8	171.4	-79.3	72	0	0	0	108.9	A71 L140 A143 K144 L165	L63-A71 HydrophobicContact CD2-CB 4.03Å; L63-L140 HydrophobicContact CD2-CB 4.4Å; L63-L140 HydrophobicContact CG-CD2 4.39Å; L63-A143 HydrophobicContact CD1-CB 3.76Å; L63-K144 HydrophobicContact CD1-CB 4.09Å; L63-K144 HydrophobicContact CD2-CB 3.97Å; L63-K144 HydrophobicContact CD2-CD 4.45Å; L63-K144 HydrophobicContact CD2-CG 4.39Å; L63-L165 HydrophobicContact CD1-CD1 4.22Å; L63-L165 HydrophobicContact CG-CD1 4.49Å
64	T	89.7	Confident	87.5	Confident	36 Å²	36	68.2 Å²	68.2	22%	0.221	34%	0.337	C	S	.	.			trans	-74.7	170.8	166.8	60.8	0	0	0	0	110.2	E66 G67 T68 K163 L164 A166	T64-E66 VanDerWaalsContact C-N 3.31Å; T64-E66 PolarHBondContact O-N 2.97Å; T64-G67 PolarHBondContact O-N 3.44Å; T64-G67 PolarHBondContact OG1-N 2.84Å; T64-T68 WeakPolarHBondContact O-CB 3.27Å; T64-T68 PolarHBondContact O-N 2.95Å; T64-T68 PolarHBondContact O-OG1 3.24Å; T64-K163 WeakPolarHBondContact CB-O 3.47Å; T64-K163 VanDerWaalsContact CG2-O 3.28Å; T64-K163 WeakPolarHBondContact CG2-O 3.42Å; T64-K163 PolarHBondContact OG1-O 3.15Å; T64-L164 PolarHBondContact N-O 3.07Å; T64-L164 WeakPolarHBondContact OG1-CA 3.49Å; T64-L164 PolarHBondContact OG1-O 3.45Å; T64-A166 HydrophobicContact CG2-CB 4Å
65	E	86.9	Confident	87.7	Confident	183 Å²	183	63.2 Å²	63.2	86%	0.855	31%	0.313	S	S	*	.	H	α-helix	trans	-55.2	-47.6	172.6	-66.9	-178.5	170.7	0	0	111.3	G67 T68 E69	E65-G67 PolarHBondContact O-N 3.01Å; E65-T68 WeakPolarHBondContact O-CB 3.37Å; E65-T68 PolarHBondContact O-N 3.32Å; E65-E69 PolarHBondContact O-N 2.92Å
66	E	87.4	Confident	87.7	Confident	67 Å²	67	59.5 Å²	59.5	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-39.3	176.2	-171.8	177.7	-177	0	0	112.1	T64 T68 E69 I70 H76 L164	T64-E66 VanDerWaalsContact C-N 3.31Å; T64-E66 PolarHBondContact O-N 2.97Å; E66-T68 VanDerWaalsContact C-N 3.29Å; E66-T68 PolarHBondContact O-N 2.84Å; E66-E69 PolarHBondContact O-N 3.42Å; E66-I70 WeakPolarHBondContact O-CG1 3.38Å; E66-I70 PolarHBondContact O-N 2.83Å; E66-H76 IonicContact OE1-CD2 3.88Å; E66-H76 IonicContact OE1-CE1 2.78Å; E66-H76 IonicContact OE1-NE2 3.46Å; E66-H76 PolarHBondContact OE1-NE2 2.9Å; E66-L164 HydrophobicContact CB-CD2 4.32Å; E66-L164 HydrophobicContact CG-CD2 3.85Å
67	G	89.4	Confident	87.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-36.1	174.4	0	0	0	0	0	113	T64 E65 I70 A71 L164	T64-G67 PolarHBondContact O-N 3.44Å; T64-G67 PolarHBondContact OG1-N 2.84Å; E65-G67 PolarHBondContact O-N 3.01Å; G67-I70 PolarHBondContact O-N 3.02Å; G67-A71 WeakPolarHBondContact O-CB 3.17Å; G67-A71 PolarHBondContact O-N 3.48Å; G67-L164 WeakPolarHBondContact CA-O 3.3Å
68	T	88.3	Confident	87.8	Confident	46 Å²	46	51.2 Å²	51.2	28%	0.282	25%	0.251	S	S	.	.	H	α-helix	trans	-68.5	-44.4	176.5	-55.8	0	0	0	0	110.9	T64 E65 E66 I70 A71 E72	T64-T68 WeakPolarHBondContact O-CB 3.27Å; T64-T68 PolarHBondContact O-N 2.95Å; T64-T68 PolarHBondContact O-OG1 3.24Å; E65-T68 WeakPolarHBondContact O-CB 3.37Å; E65-T68 PolarHBondContact O-N 3.32Å; E66-T68 VanDerWaalsContact C-N 3.29Å; E66-T68 PolarHBondContact O-N 2.84Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 3.03Å; T68-A71 PolarHBondContact O-N 2.83Å; T68-E72 WeakPolarHBondContact O-CG 3.19Å; T68-E72 PolarHBondContact O-N 2.81Å; T68-E72 VanDerWaalsContact O-N 3.15Å
69	E	88.3	Confident	88.2	Confident	68 Å²	68	50 Å²	50	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-45.4	174.1	-170.2	-167.5	157.2	0	0	111.2	E65 E66 E72 Q73 R79	E65-E69 PolarHBondContact O-N 2.92Å; E66-E69 PolarHBondContact O-N 3.42Å; E69-E72 PolarHBondContact O-N 2.86Å; E69-Q73 HydrophobicContact CG-CG 4.39Å; E69-Q73 WeakPolarHBondContact O-CB 3.34Å; E69-Q73 PolarHBondContact O-N 3.16Å; E69-Q73 PolarHBondContact OE1-OE1 3Å; E69-R79 IonicContact OE1-CZ 2.97Å; E69-R79 IonicContact OE1-NH1 2.95Å; E69-R79 PolarHBondContact OE1-NH1 3.44Å; E69-R79 IonicContact OE1-NH2 3.76Å
70	I	90.6	Very high	88.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-39.7	178.5	-72.4	-177.6	0	0	0	112	E66 G67 T68 E72 G74 V136 L140 L164	E66-I70 WeakPolarHBondContact O-CG1 3.38Å; E66-I70 PolarHBondContact O-N 2.83Å; G67-I70 PolarHBondContact O-N 3.02Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 3.03Å; I70-E72 PolarHBondContact O-N 3.24Å; I70-G74 CarbonylContact O-C 3.52Å; I70-G74 WeakPolarHBondContact O-CA 3.33Å; I70-G74 PolarHBondContact O-N 2.93Å; I70-V136 HydrophobicContact CG2-CG1 4.28Å; I70-L140 HydrophobicContact CB-CD1 3.97Å; I70-L140 HydrophobicContact CG2-CD1 3.47Å; I70-L140 VanDerWaalsContact CG2-CD1 3.47Å; I70-L164 HydrophobicContact CD1-CD1 3.85Å; I70-L164 HydrophobicContact CD1-CD2 3.51Å; I70-L164 HydrophobicContact CD1-CG 4.33Å
71	A	88.7	Confident	88.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-37.3	176.2	0	0	0	0	0	111.4	L63 G67 T68 R137 L140 L141 K144	L63-A71 HydrophobicContact CD2-CB 4.03Å; G67-A71 WeakPolarHBondContact O-CB 3.17Å; G67-A71 PolarHBondContact O-N 3.48Å; T68-A71 PolarHBondContact O-N 2.83Å; A71-R137 PolarHBondContact O-NE 2.84Å; A71-L140 HydrophobicContact CB-CB 4.12Å; A71-L141 HydrophobicContact CB-CD2 4.16Å; A71-L141 HydrophobicContact CB-CG 4.46Å; A71-K144 HydrophobicContact CB-CD 4.42Å
72	E	87.4	Confident	89.1	Confident	108 Å²	108	43.5 Å²	43.5	51%	0.505	21%	0.213	S	C	.	.	H	α-helix	trans	-81.4	-48.2	-178.6	-70.6	174.7	-175.1	0	0	112.9	T68 E69 I70 R137 K144	T68-E72 WeakPolarHBondContact O-CG 3.19Å; T68-E72 PolarHBondContact O-N 2.81Å; T68-E72 VanDerWaalsContact O-N 3.15Å; E69-E72 PolarHBondContact O-N 2.86Å; I70-E72 PolarHBondContact O-N 3.24Å; E72-R137 PolarHBondContact O-NH2 2.86Å; E72-K144 IonicContact OE1-NZ 3.02Å; E72-K144 PolarHBondContact OE1-NZ 3.26Å
73	Q	87.5	Confident	89.2	Confident	106 Å²	106	41.1 Å²	41.1	50%	0.495	21%	0.207	S	C	.	.	H	α-helix	trans	-102.7	-7.9	-169.2	-56.6	-175.7	15.7	0	0	114.4	E69 R79	E69-Q73 HydrophobicContact CG-CG 4.39Å; E69-Q73 WeakPolarHBondContact O-CB 3.34Å; E69-Q73 PolarHBondContact O-N 3.16Å; E69-Q73 PolarHBondContact OE1-OE1 3Å; Q73-R79 VanDerWaalsContact OE1-NH2 3.07Å
74	G	89.3	Confident	89.3	Confident	4 Å²	4	39.5 Å²	39.5	4%	0.041	20%	0.198	C	C	.	.			trans	93	161.2	-174.3	0	0	0	0	0	113.7	I70 R79 D134	I70-G74 CarbonylContact O-C 3.52Å; I70-G74 WeakPolarHBondContact O-CA 3.33Å; I70-G74 PolarHBondContact O-N 2.93Å; G74-R79 VanDerWaalsContact O-CD 3.29Å; G74-R79 WeakPolarHBondContact O-CD 3.35Å; G74-D134 WeakPolarHBondContact CA-OD2 3.16Å
75	S	91.6	Very high	89.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.			trans	-67.6	153.8	-178.7	62.9	0	0	0	0	112.2	E77 A78 R79 D134	S75-E77 PolarHBondContact O-N 2.83Å; S75-E77 WeakPolarHBondContact OG-CG 3.37Å; S75-A78 PolarHBondContact O-N 2.96Å; S75-A78 WeakPolarHBondContact OG-CB 3.29Å; S75-A78 PolarHBondContact OG-N 2.71Å; S75-R79 WeakPolarHBondContact O-CG 3.37Å; S75-R79 PolarHBondContact O-N 3.05Å; S75-D134 VanDerWaalsContact CB-OD1 3.25Å; S75-D134 WeakPolarHBondContact CB-OD1 3.47Å; S75-D134 PolarHBondContact N-OD2 2.79Å; S75-D134 PolarHBondContact OG-OD1 2.88Å; S75-D134 PolarHBondContact OG-OD2 2.91Å
76	H	90.9	Very high	88.8	Confident	13 Å²	13	40 Å²	40	6%	0.06	21%	0.208	C	C	.	.	H	α-helix	trans	-55.1	-41.6	-179.5	-64.5	-43.8	0	0	0	111.7	E66 R79 V80 F99 G103	E66-H76 IonicContact OE1-CD2 3.88Å; E66-H76 IonicContact OE1-CE1 2.78Å; E66-H76 IonicContact OE1-NE2 3.46Å; E66-H76 PolarHBondContact OE1-NE2 2.9Å; H76-R79 PolarHBondContact O-N 3.44Å; H76-V80 WeakPolarHBondContact O-CG2 3.42Å; H76-V80 PolarHBondContact O-N 3.34Å; H76-F99 HydrophobicContact CB-CB 4.05Å; H76-F99 WeakPolarHBondContact ND1-CB 3.43Å; H76-G103 VanDerWaalsContact C-CA 3.47Å
77	E	91.3	Very high	88.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-38	175.6	54.6	-90.1	-135.1	0	0	113.5	S75 F81 K106 A107 W112 V136 R162	S75-E77 PolarHBondContact O-N 2.83Å; S75-E77 WeakPolarHBondContact OG-CG 3.37Å; E77-F81 PolarHBondContact O-N 3.28Å; E77-K106 HydrophobicContact CB-CB 4.07Å; E77-K106 HydrophobicContact CB-CG 4.17Å; E77-K106 HydrophobicContact CG-CG 4.11Å; E77-K106 WeakPolarHBondContact OE1-CG 3.49Å; E77-A107 HydrophobicContact CB-CB 4.09Å; E77-W112 HydrophobicContact CB-CE3 4.14Å; E77-W112 HydrophobicContact CB-CZ3 3.73Å; E77-W112 HydrophobicContact CG-CE3 4.3Å; E77-W112 HydrophobicContact CG-CH2 3.9Å; E77-W112 HydrophobicContact CG-CZ3 3.44Å; E77-W112 VanDerWaalsContact CG-CZ3 3.44Å; E77-V136 WeakPolarHBondContact OE1-CG2 3.24Å; E77-R162 IonicContact OE1-CZ 3.49Å; E77-R162 IonicContact OE1-NH1 3.88Å; E77-R162 PolarHBondContact OE1-NH1 3.22Å; E77-R162 IonicContact OE1-NH2 2.88Å; E77-R162 PolarHBondContact OE1-NH2 2.91Å; E77-R162 IonicContact OE2-NH2 2.7Å; E77-R162 PolarHBondContact OE2-NH2 3.37Å
78	A	90.6	Very high	88.3	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-72.2	-39.9	176.9	0	0	0	0	0	111.9	S75 F81 N82 W112 I132 D134	S75-A78 PolarHBondContact O-N 2.96Å; S75-A78 WeakPolarHBondContact OG-CB 3.29Å; S75-A78 PolarHBondContact OG-N 2.71Å; A78-F81 PolarHBondContact O-N 3.37Å; A78-N82 WeakPolarHBondContact O-CB 3.46Å; A78-N82 VanDerWaalsContact O-CG 3.28Å; A78-N82 PolarHBondContact O-N 3.28Å; A78-N82 PolarHBondContact O-ND2 3.49Å; A78-W112 HydrophobicContact CB-CZ3 4.47Å; A78-I132 VanDerWaalsContact CA-CD1 3.49Å; A78-I132 HydrophobicContact CB-CD1 3.63Å; A78-D134 HydrophobicContact CB-CB 4.01Å; A78-D134 WeakPolarHBondContact CB-OD2 3.32Å
79	R	90.8	Very high	88.3	Confident	41 Å²	41	43.3 Å²	43.3	16%	0.155	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-43	173.6	-69.1	171.8	70	172.2	12.1	111.2	E69 Q73 G74 S75 H76 N82 S83 F99	E69-R79 IonicContact OE1-CZ 2.97Å; E69-R79 IonicContact OE1-NH1 2.95Å; E69-R79 PolarHBondContact OE1-NH1 3.44Å; E69-R79 IonicContact OE1-NH2 3.76Å; Q73-R79 VanDerWaalsContact OE1-NH2 3.07Å; G74-R79 VanDerWaalsContact O-CD 3.29Å; G74-R79 WeakPolarHBondContact O-CD 3.35Å; S75-R79 WeakPolarHBondContact O-CG 3.37Å; S75-R79 PolarHBondContact O-N 3.05Å; H76-R79 PolarHBondContact O-N 3.44Å; R79-N82 PolarHBondContact O-N 2.98Å; R79-S83 WeakPolarHBondContact O-CB 3.37Å; R79-S83 PolarHBondContact O-N 2.93Å; R79-S83 PolarHBondContact O-OG 3.24Å; R79-F99 HydrophobicContact CB-CD2 3.69Å; R79-F99 HydrophobicContact CB-CE2 3.66Å; R79-F99 HydrophobicContact CB-CG 4.17Å; R79-F99 HydrophobicContact CB-CZ 4.1Å; R79-F99 VanDerWaalsContact CZ-CD1 3.42Å
80	V	90.2	Very high	88.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-51.4	172.8	165	0	0	0	0	111.1	H76 N82 S83 I84 L94 F99 A107 I113	H76-V80 WeakPolarHBondContact O-CG2 3.42Å; H76-V80 PolarHBondContact O-N 3.34Å; V80-N82 VanDerWaalsContact C-N 3.34Å; V80-N82 PolarHBondContact O-N 3.43Å; V80-S83 PolarHBondContact O-N 3.21Å; V80-S83 VanDerWaalsContact O-N 3.16Å; V80-S83 PolarHBondContact O-OG 2.85Å; V80-I84 HydrophobicContact CG1-CD1 4.07Å; V80-I84 WeakPolarHBondContact O-CD1 3.42Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 3.37Å; V80-L94 HydrophobicContact CB-CD1 4.4Å; V80-L94 HydrophobicContact CG1-CD1 3.95Å; V80-L94 HydrophobicContact CG1-CD2 3.67Å; V80-L94 HydrophobicContact CG1-CG 4.39Å; V80-L94 HydrophobicContact CG2-CD1 4.08Å; V80-L94 HydrophobicContact CG2-CD2 4.46Å; V80-F99 HydrophobicContact CG2-CD2 3.79Å; V80-F99 HydrophobicContact CG2-CE2 4.13Å; V80-A107 HydrophobicContact CG1-CB 4.4Å; V80-I113 HydrophobicContact CG1-CD1 4.13Å
81	F	90.2	Very high	88.3	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-55.7	-48.8	178.8	178.1	-93	0	0	0	111.9	E77 A78 S83 I84 W112 I113 R127 V129 I132	E77-F81 PolarHBondContact O-N 3.28Å; A78-F81 PolarHBondContact O-N 3.37Å; F81-S83 VanDerWaalsContact C-N 3.27Å; F81-S83 PolarHBondContact O-N 3.48Å; F81-I84 PolarHBondContact O-N 3.02Å; F81-W112 HydrophobicContact CD2-CB 4.03Å; F81-I113 HydrophobicContact CD2-CG2 4.19Å; F81-R127 HydrophobicContact CD2-CB 4.48Å; F81-R127 HydrophobicContact CD2-CG 4Å; F81-R127 HydrophobicContact CE2-CB 3.85Å; F81-R127 HydrophobicContact CE2-CG 3.71Å; F81-R127 HydrophobicContact CZ-CB 4.42Å; F81-R127 HydrophobicContact CZ-CG 4.18Å; F81-R127 VanDerWaalsContact O-CZ 3.26Å; F81-R127 PolarHBondContact O-NE 3.32Å; F81-R127 PolarHBondContact O-NH2 3.32Å; F81-R127 VanDerWaalsContact O-NH2 3.11Å; F81-V129 HydrophobicContact CE2-CG2 3.64Å; F81-V129 WeakPolarHBondContact CE2-O 3.37Å; F81-V129 HydrophobicContact CZ-CG2 4.04Å; F81-V129 VanDerWaalsContact CZ-O 3.26Å; F81-V129 WeakPolarHBondContact CZ-O 3.49Å; F81-I132 HydrophobicContact CB-CD1 3.74Å; F81-I132 HydrophobicContact CD1-CB 4.35Å; F81-I132 HydrophobicContact CD1-CD1 3.59Å; F81-I132 HydrophobicContact CD1-CG1 3.58Å; F81-I132 HydrophobicContact CD1-CG2 3.87Å; F81-I132 HydrophobicContact CD2-CG2 3.78Å; F81-I132 HydrophobicContact CE1-CB 4.42Å; F81-I132 HydrophobicContact CE1-CD1 4.41Å; F81-I132 HydrophobicContact CE1-CG1 3.9Å; F81-I132 HydrophobicContact CE1-CG2 3.86Å; F81-I132 HydrophobicContact CE2-CG2 3.76Å; F81-I132 HydrophobicContact CG-CD1 3.8Å; F81-I132 HydrophobicContact CG-CG1 4.13Å; F81-I132 HydrophobicContact CG-CG2 3.82Å; F81-I132 HydrophobicContact CZ-CG2 3.8Å
82	N	88.9	Confident	88.2	Confident	105 Å²	105	47.4 Å²	47.4	56%	0.561	26%	0.255	S	S	*	.	H	α-helix	trans	-66.2	-26.2	-179.1	-70.7	-29	0	0	0	113.4	A78 R79 V80 R127	A78-N82 WeakPolarHBondContact O-CB 3.46Å; A78-N82 VanDerWaalsContact O-CG 3.28Å; A78-N82 PolarHBondContact O-N 3.28Å; A78-N82 PolarHBondContact O-ND2 3.49Å; R79-N82 PolarHBondContact O-N 2.98Å; V80-N82 VanDerWaalsContact C-N 3.34Å; V80-N82 PolarHBondContact O-N 3.43Å; N82-R127 PolarHBondContact O-NH2 3.34Å
83	S	88.4	Confident	88.2	Confident	44 Å²	44	47.4 Å²	47.4	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-78.1	-15.9	178	69.8	0	0	0	0	114.8	R79 V80 F81 P85	R79-S83 WeakPolarHBondContact O-CB 3.37Å; R79-S83 PolarHBondContact O-N 2.93Å; R79-S83 PolarHBondContact O-OG 3.24Å; V80-S83 PolarHBondContact O-N 3.21Å; V80-S83 VanDerWaalsContact O-N 3.16Å; V80-S83 PolarHBondContact O-OG 2.85Å; F81-S83 VanDerWaalsContact C-N 3.27Å; F81-S83 PolarHBondContact O-N 3.48Å; S83-P85 WeakPolarHBondContact O-CD 3.26Å
84	I	88.3	Confident	88.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-85.6	118.1	-177.6	-64.5	158.3	0	0	0	109.9	V80 F81 L89 I113 I125 R127	V80-I84 HydrophobicContact CG1-CD1 4.07Å; V80-I84 WeakPolarHBondContact O-CD1 3.42Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 3.37Å; F81-I84 PolarHBondContact O-N 3.02Å; I84-L89 HydrophobicContact CB-CB 4.47Å; I84-L89 HydrophobicContact CG1-CB 4.14Å; I84-L89 HydrophobicContact CG1-CD2 4.28Å; I84-L89 HydrophobicContact CG2-CB 4.27Å; I84-I113 HydrophobicContact CD1-CB 4.35Å; I84-I113 HydrophobicContact CD1-CG2 3.53Å; I84-I125 HydrophobicContact CD1-CB 4.48Å; I84-I125 HydrophobicContact CD1-CG2 3.67Å; I84-I125 HydrophobicContact CG1-CG2 4.5Å; I84-I125 WeakPolarHBondContact CG2-O 3.38Å; I84-R127 HydrophobicContact CB-CG 4.18Å; I84-R127 HydrophobicContact CG2-CG 4.06Å; I84-R127 PolarHBondContact O-NE 2.78Å; I84-R127 PolarHBondContact O-NH2 2.96Å
85	P	86.7	Confident	88.1	Confident	61 Å²	61	45.1 Å²	45.1	40%	0.396	24%	0.244	S	C	.	.			trans	-72.8	166.7	174.7	31	-33.2	0	0	0	111.6	S83 E87 G88	S83-P85 WeakPolarHBondContact O-CD 3.26Å; P85-E87 PolarHBondContact O-N 3.29Å; P85-G88 PolarHBondContact O-N 3.35Å
86	L	79.6	Confident	87.9	Confident	168 Å²	168	53.5 Å²	53.5	88%	0.88	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.2	178.9	-72.4	171.5	0	0	0	112.8	G88	L86-G88 PolarHBondContact O-N 2.85Å
87	E	82.6	Confident	87.7	Confident	154 Å²	154	56.2 Å²	56.2	72%	0.72	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.9	177.9	-63.4	164.9	-165.2	0	0	113.1	P85 R124 F126	P85-E87 PolarHBondContact O-N 3.29Å; E87-R124 PolarHBondContact O-NH1 2.87Å; E87-F126 WeakPolarHBondContact O-CE1 3.41Å
88	G	84.5	Confident	87.3	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.01	33%	0.33	C	S	.	.			trans	87.8	155.5	-175.6	0	0	0	0	0	113.3	P85 L86 R124 I125	P85-G88 PolarHBondContact O-N 3.35Å; L86-G88 PolarHBondContact O-N 2.85Å; G88-R124 PolarHBondContact O-NH1 3.25Å; G88-R124 VanDerWaalsContact O-NH1 3.12Å; G88-R124 PolarHBondContact O-NH2 3.15Å; G88-I125 CarbonylContact C-O 3.51Å; G88-I125 WeakPolarHBondContact CA-O 3.41Å
89	L	88.9	Confident	87	Confident	27 Å²	27	62.2 Å²	62.2	14%	0.141	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.5	-177.9	-168.3	68	0	0	0	110.5	I84 Q91 L94 R124 I125	I84-L89 HydrophobicContact CB-CB 4.47Å; I84-L89 HydrophobicContact CG1-CB 4.14Å; I84-L89 HydrophobicContact CG1-CD2 4.28Å; I84-L89 HydrophobicContact CG2-CB 4.27Å; L89-Q91 PolarHBondContact O-N 3.24Å; L89-L94 HydrophobicContact CD2-CB 3.92Å; L89-L94 HydrophobicContact CD2-CD1 3.74Å; L89-L94 HydrophobicContact CD2-CG 4.4Å; L89-R124 WeakPolarHBondContact O-CG 3.37Å; L89-I125 PolarHBondContact N-O 3.13Å; L89-I125 PolarHBondContact O-N 2.93Å
90	P	90.4	Very high	86.8	Confident	36 Å²	36	60.2 Å²	60.2	23%	0.234	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.6	172.6	-23.6	34.5	0	0	0	111.5	A92 E93 L94	P90-A92 PolarHBondContact O-N 3.49Å; P90-E93 HydrophobicContact CB-CB 4.46Å; P90-E93 HydrophobicContact CB-CG 4.2Å; P90-E93 HydrophobicContact CG-CG 4.47Å; P90-E93 PolarHBondContact O-N 2.98Å; P90-E93 VanDerWaalsContact O-N 3.1Å; P90-L94 PolarHBondContact O-N 3.02Å
91	Q	87.6	Confident	86.6	Confident	50 Å²	50	66.5 Å²	66.5	23%	0.234	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-36.2	-178	179.2	172.8	3.3	0	0	111.8	L89 E93 L94 M95 P123 I125	L89-Q91 PolarHBondContact O-N 3.24Å; Q91-E93 VanDerWaalsContact C-N 3.3Å; Q91-E93 PolarHBondContact O-N 3.27Å; Q91-L94 PolarHBondContact O-N 2.95Å; Q91-M95 HydrophobicContact CG-CG 4.22Å; Q91-M95 WeakPolarHBondContact O-CG 3.42Å; Q91-M95 PolarHBondContact O-N 3.45Å; Q91-M95 VanDerWaalsContact O-N 3.11Å; Q91-P123 HydrophobicContact CB-CB 4.27Å; Q91-P123 WeakPolarHBondContact CB-O 3.49Å; Q91-P123 PolarHBondContact N-O 3.42Å; Q91-I125 HydrophobicContact CB-CD1 3.96Å; Q91-I125 HydrophobicContact CB-CG1 4.08Å; Q91-I125 HydrophobicContact CG-CD1 4.06Å
92	A	85.8	Confident	86.4	Confident	70 Å²	70	71 Å²	71	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-64	-32	179.5	0	0	0	0	0	113.4	P90 K96	P90-A92 PolarHBondContact O-N 3.49Å; A92-K96 WeakPolarHBondContact O-CG 3.38Å
93	E	87.5	Confident	86.4	Confident	107 Å²	107	66 Å²	66	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-76.5	-42.4	178.1	-69.3	-178.1	176.7	0	0	111.4	P90 Q91 M95 K96	P90-E93 HydrophobicContact CB-CB 4.46Å; P90-E93 HydrophobicContact CB-CG 4.2Å; P90-E93 HydrophobicContact CG-CG 4.47Å; P90-E93 PolarHBondContact O-N 2.98Å; P90-E93 VanDerWaalsContact O-N 3.1Å; Q91-E93 VanDerWaalsContact C-N 3.3Å; Q91-E93 PolarHBondContact O-N 3.27Å; E93-M95 VanDerWaalsContact C-N 3.27Å; E93-M95 PolarHBondContact O-N 2.74Å; E93-K96 WeakPolarHBondContact O-CB 3.48Å; E93-K96 PolarHBondContact O-N 3.36Å; E93-K96 VanDerWaalsContact O-N 3.16Å
94	L	87.3	Confident	86.4	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-41.9	175.3	-172.8	73.4	0	0	0	111.4	V80 L89 P90 Q91 K96 L97 G100 F104 I125	V80-L94 HydrophobicContact CB-CD1 4.4Å; V80-L94 HydrophobicContact CG1-CD1 3.95Å; V80-L94 HydrophobicContact CG1-CD2 3.67Å; V80-L94 HydrophobicContact CG1-CG 4.39Å; V80-L94 HydrophobicContact CG2-CD1 4.08Å; V80-L94 HydrophobicContact CG2-CD2 4.46Å; L89-L94 HydrophobicContact CD2-CB 3.92Å; L89-L94 HydrophobicContact CD2-CD1 3.74Å; L89-L94 HydrophobicContact CD2-CG 4.4Å; P90-L94 PolarHBondContact O-N 3.02Å; Q91-L94 PolarHBondContact O-N 2.95Å; L94-K96 PolarHBondContact O-N 3.43Å; L94-L97 HydrophobicContact CD1-CD1 4.15Å; L94-L97 WeakPolarHBondContact O-CB 3.4Å; L94-L97 PolarHBondContact O-N 3.2Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L94-G100 WeakPolarHBondContact O-CA 3.34Å; L94-F104 HydrophobicContact CD2-CB 4.03Å; L94-F104 HydrophobicContact CD2-CD2 3.83Å; L94-F104 HydrophobicContact CD2-CG 4.32Å; L94-I125 HydrophobicContact CB-CD1 4.2Å; L94-I125 HydrophobicContact CD2-CD1 3.34Å; L94-I125 HydrophobicContact CG-CD1 4.4Å
95	M	87.6	Confident	86.5	Confident	63 Å²	63	68.8 Å²	68.8	31%	0.31	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12	-177.4	-64.6	-68.8	-93.4	0	0	114	Q91 E93 K101 F104	Q91-M95 HydrophobicContact CG-CG 4.22Å; Q91-M95 WeakPolarHBondContact O-CG 3.42Å; Q91-M95 PolarHBondContact O-N 3.45Å; Q91-M95 VanDerWaalsContact O-N 3.11Å; E93-M95 VanDerWaalsContact C-N 3.27Å; E93-M95 PolarHBondContact O-N 2.74Å; M95-K101 HydrophobicContact CE-CB 4.43Å; M95-K101 HydrophobicContact CE-CG 3.82Å; M95-K101 HydrophobicContact SD-CB 4.31Å; M95-K101 HydrophobicContact SD-CG 3.79Å; M95-F104 HydrophobicContact SD-CD1 4.47Å
96	K	87.6	Confident	86.6	Confident	176 Å²	176	69 Å²	69	77%	0.765	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-18	173.1	-70.2	174.6	-177.3	178.6	0	113	A92 E93 L94	A92-K96 WeakPolarHBondContact O-CG 3.38Å; E93-K96 WeakPolarHBondContact O-CB 3.48Å; E93-K96 PolarHBondContact O-N 3.36Å; E93-K96 VanDerWaalsContact O-N 3.16Å; L94-K96 PolarHBondContact O-N 3.43Å
97	L	86.2	Confident	87	Confident	70 Å²	70	61 Å²	61	37%	0.366	32%	0.319	S	S	.	.	S	Bend	trans	-72.9	145.6	177	-58.2	177.3	0	0	0	110.6	L94 F99 G100	L94-L97 HydrophobicContact CD1-CD1 4.15Å; L94-L97 WeakPolarHBondContact O-CB 3.4Å; L94-L97 PolarHBondContact O-N 3.2Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L97-F99 VanDerWaalsContact C-N 3.26Å; L97-F99 HydrophobicContact CB-CE1 4.27Å; L97-F99 HydrophobicContact CB-CE2 4.39Å; L97-F99 HydrophobicContact CB-CZ 4.21Å; L97-F99 HydrophobicContact CD1-CE1 4.45Å; L97-F99 HydrophobicContact CD1-CE2 3.91Å; L97-F99 HydrophobicContact CD1-CZ 3.69Å; L97-F99 HydrophobicContact CG-CZ 4.48Å; L97-F99 PolarHBondContact O-N 3.07Å; L97-G100 PolarHBondContact O-N 3.43Å
98	S	83.7	Confident	87.4	Confident	104 Å²	104	57.1 Å²	57.1	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-40.1	-178.8	52.7	0	0	0	0	112.8
99	F	85.2	Confident	87.6	Confident	25 Å²	25	60.5 Å²	60.5	11%	0.11	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.8	176.6	55.9	-93.3	0	0	0	113.9	H76 R79 V80 L97 G103	H76-F99 HydrophobicContact CB-CB 4.05Å; H76-F99 WeakPolarHBondContact ND1-CB 3.43Å; R79-F99 HydrophobicContact CB-CD2 3.69Å; R79-F99 HydrophobicContact CB-CE2 3.66Å; R79-F99 HydrophobicContact CB-CG 4.17Å; R79-F99 HydrophobicContact CB-CZ 4.1Å; R79-F99 VanDerWaalsContact CZ-CD1 3.42Å; V80-F99 HydrophobicContact CG2-CD2 3.79Å; V80-F99 HydrophobicContact CG2-CE2 4.13Å; L97-F99 VanDerWaalsContact C-N 3.26Å; L97-F99 HydrophobicContact CB-CE1 4.27Å; L97-F99 HydrophobicContact CB-CE2 4.39Å; L97-F99 HydrophobicContact CB-CZ 4.21Å; L97-F99 HydrophobicContact CD1-CE1 4.45Å; L97-F99 HydrophobicContact CD1-CE2 3.91Å; L97-F99 HydrophobicContact CD1-CZ 3.69Å; L97-F99 HydrophobicContact CG-CZ 4.48Å; L97-F99 PolarHBondContact O-N 3.07Å; F99-G103 WeakPolarHBondContact O-CA 3.42Å; F99-G103 PolarHBondContact O-N 3.44Å
100	G	85.1	Confident	87.5	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-50.9	-165.9	0	0	0	0	0	114.2	L94 L97 F104	L94-G100 WeakPolarHBondContact O-CA 3.34Å; L97-G100 PolarHBondContact O-N 3.43Å; G100-F104 WeakPolarHBondContact O-CB 3.44Å; G100-F104 PolarHBondContact O-N 3.47Å
101	K	86.1	Confident	87.5	Confident	131 Å²	131	68 Å²	68	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-65.5	-45.5	-177.1	-65.7	-176.9	178.6	175.6	0	112.9	M95 S105	M95-K101 HydrophobicContact CE-CB 4.43Å; M95-K101 HydrophobicContact CE-CG 3.82Å; M95-K101 HydrophobicContact SD-CB 4.31Å; M95-K101 HydrophobicContact SD-CG 3.79Å; K101-S105 PolarHBondContact O-N 2.86Å; K101-S105 PolarHBondContact O-OG 3.5Å; K101-S105 VanDerWaalsContact O-OG 3.07Å
102	I	86.1	Confident	87.7	Confident	98 Å²	98	67.5 Å²	67.5	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-71.7	-48.7	-177.9	-61	174.8	0	0	0	109.6	F104 S105 K106	I102-F104 PolarHBondContact O-N 2.88Å; I102-S105 PolarHBondContact O-N 2.84Å; I102-K106 PolarHBondContact O-N 3.2Å
103	G	88.6	Confident	88	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-37.8	179.4	0	0	0	0	0	113.2	H76 F99 K106 A107	H76-G103 VanDerWaalsContact C-CA 3.47Å; F99-G103 WeakPolarHBondContact O-CA 3.42Å; F99-G103 PolarHBondContact O-N 3.44Å; G103-K106 PolarHBondContact O-N 3.13Å; G103-A107 WeakPolarHBondContact O-CB 3.43Å; G103-A107 PolarHBondContact O-N 3.11Å
104	F	90.1	Very high	88.1	Confident	25 Å²	25	66.3 Å²	66.3	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-49.6	177	171.9	-102.6	0	0	0	111.9	L94 M95 G100 I102 K106 A107 M108 I113 V115 I125	L94-F104 HydrophobicContact CD2-CB 4.03Å; L94-F104 HydrophobicContact CD2-CD2 3.83Å; L94-F104 HydrophobicContact CD2-CG 4.32Å; M95-F104 HydrophobicContact SD-CD1 4.47Å; G100-F104 WeakPolarHBondContact O-CB 3.44Å; G100-F104 PolarHBondContact O-N 3.47Å; I102-F104 PolarHBondContact O-N 2.88Å; F104-K106 VanDerWaalsContact C-N 3.28Å; F104-K106 PolarHBondContact O-N 2.92Å; F104-A107 PolarHBondContact O-N 3.41Å; F104-M108 HydrophobicContact CD2-CG 4.25Å; F104-M108 HydrophobicContact CE1-CG 4.2Å; F104-M108 HydrophobicContact CE2-CG 3.84Å; F104-M108 HydrophobicContact CE2-SD 4.28Å; F104-M108 HydrophobicContact CZ-CG 3.81Å; F104-M108 HydrophobicContact CZ-SD 4.36Å; F104-M108 WeakPolarHBondContact O-CB 3.13Å; F104-M108 WeakPolarHBondContact O-CG 3.42Å; F104-M108 PolarHBondContact O-N 3.38Å; F104-I113 HydrophobicContact CD2-CD1 3.62Å; F104-I113 HydrophobicContact CE2-CD1 4Å; F104-V115 HydrophobicContact CE2-CG2 3.79Å; F104-V115 HydrophobicContact CZ-CG2 3.67Å; F104-I125 HydrophobicContact CD2-CD1 3.58Å; F104-I125 HydrophobicContact CE2-CD1 3.46Å; F104-I125 VanDerWaalsContact CE2-CD1 3.46Å; F104-I125 HydrophobicContact CE2-CG1 3.99Å; F104-I125 HydrophobicContact CE2-CG2 4.5Å
105	S	88.6	Confident	88.3	Confident	79 Å²	79	68.3 Å²	68.3	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-41.2	-178.7	-57.4	0	0	0	0	111.4	K101 I102 S109	K101-S105 PolarHBondContact O-N 2.86Å; K101-S105 PolarHBondContact O-OG 3.5Å; K101-S105 VanDerWaalsContact O-OG 3.07Å; I102-S105 PolarHBondContact O-N 2.84Å; S105-S109 PolarHBondContact O-N 3.34Å; S105-S109 VanDerWaalsContact O-N 3.1Å
106	K	89.1	Confident	88.3	Confident	64 Å²	64	67.9 Å²	67.9	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	-77.5	-39.8	-178.5	-168.6	68.5	179.9	179.6	0	112.4	E77 I102 G103 F104 M108 S109 N110 E158	E77-K106 HydrophobicContact CB-CB 4.07Å; E77-K106 HydrophobicContact CB-CG 4.17Å; E77-K106 HydrophobicContact CG-CG 4.11Å; E77-K106 WeakPolarHBondContact OE1-CG 3.49Å; I102-K106 PolarHBondContact O-N 3.2Å; G103-K106 PolarHBondContact O-N 3.13Å; F104-K106 VanDerWaalsContact C-N 3.28Å; F104-K106 PolarHBondContact O-N 2.92Å; K106-M108 VanDerWaalsContact C-N 3.32Å; K106-M108 PolarHBondContact O-N 3.22Å; K106-S109 WeakPolarHBondContact CA-OG 3.14Å; K106-S109 PolarHBondContact O-N 3.29Å; K106-S109 VanDerWaalsContact O-N 3.15Å; K106-S109 PolarHBondContact O-OG 3.16Å; K106-N110 PolarHBondContact O-N 3.1Å; K106-E158 IonicContact NZ-OE1 2.77Å
107	A	89	Confident	88.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-37	173.6	0	0	0	0	0	112.2	E77 V80 G103 F104 N110 K111 W112 I113	E77-A107 HydrophobicContact CB-CB 4.09Å; V80-A107 HydrophobicContact CG1-CB 4.4Å; G103-A107 WeakPolarHBondContact O-CB 3.43Å; G103-A107 PolarHBondContact O-N 3.11Å; F104-A107 PolarHBondContact O-N 3.41Å; A107-N110 PolarHBondContact O-N 3.36Å; A107-K111 PolarHBondContact O-N 2.9Å; A107-W112 HydrophobicContact CB-CE3 4.44Å; A107-W112 PolarHBondContact O-N 2.69Å; A107-I113 HydrophobicContact CB-CD1 3.64Å; A107-I113 HydrophobicContact CB-CG1 3.76Å; A107-I113 HydrophobicContact CB-CG2 4.43Å
108	M	90.1	Very high	87.7	Confident	73 Å²	73	69.7 Å²	69.7	36%	0.36	36%	0.358	S	S	.	.	H	α-helix	trans	-63.1	-46.1	170.4	-78.5	-66.7	-64.3	0	0	111.7	F104 K106 N110 K111 I113 V115	F104-M108 HydrophobicContact CD2-CG 4.25Å; F104-M108 HydrophobicContact CE1-CG 4.2Å; F104-M108 HydrophobicContact CE2-CG 3.84Å; F104-M108 HydrophobicContact CE2-SD 4.28Å; F104-M108 HydrophobicContact CZ-CG 3.81Å; F104-M108 HydrophobicContact CZ-SD 4.36Å; F104-M108 WeakPolarHBondContact O-CB 3.13Å; F104-M108 WeakPolarHBondContact O-CG 3.42Å; F104-M108 PolarHBondContact O-N 3.38Å; K106-M108 VanDerWaalsContact C-N 3.32Å; K106-M108 PolarHBondContact O-N 3.22Å; M108-N110 VanDerWaalsContact C-N 3.27Å; M108-N110 PolarHBondContact O-N 3.08Å; M108-K111 PolarHBondContact O-N 2.81Å; M108-I113 HydrophobicContact CG-CD1 4Å; M108-I113 HydrophobicContact CG-CG1 3.98Å; M108-I113 HydrophobicContact SD-CD1 4.29Å; M108-I113 HydrophobicContact SD-CG1 3.86Å; M108-I113 VanDerWaalsContact SD-O 3.4Å; M108-V115 HydrophobicContact CE-CG2 4.2Å; M108-V115 HydrophobicContact SD-CG2 3.89Å
109	S	88.5	Confident	87.5	Confident	73 Å²	73	68.1 Å²	68.1	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-32.3	178.5	74.4	0	0	0	0	113.3	S105 K106 K111	S105-S109 PolarHBondContact O-N 3.34Å; S105-S109 VanDerWaalsContact O-N 3.1Å; K106-S109 WeakPolarHBondContact CA-OG 3.14Å; K106-S109 PolarHBondContact O-N 3.29Å; K106-S109 VanDerWaalsContact O-N 3.15Å; K106-S109 PolarHBondContact O-OG 3.16Å; S109-K111 PolarHBondContact O-N 2.89Å
110	N	88.4	Confident	86.6	Confident	57 Å²	57	74.6 Å²	74.6	31%	0.305	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.6	175.6	-67.3	-10.4	0	0	0	112.9	K106 A107 M108 W112	K106-N110 PolarHBondContact O-N 3.1Å; A107-N110 PolarHBondContact O-N 3.36Å; M108-N110 VanDerWaalsContact C-N 3.27Å; M108-N110 PolarHBondContact O-N 3.08Å; N110-W112 HydrophobicContact CB-CD2 3.85Å; N110-W112 HydrophobicContact CB-CG 3.91Å; N110-W112 HydrophobicContact CB-CZ2 4.28Å; N110-W112 PolarHBondContact O-N 3.03Å
111	K	89.8	Confident	86	Confident	163 Å²	163	78.7 Å²	78.7	71%	0.709	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	27.1	-176.1	-53	-179.7	-179.7	179.2	0	114	A107 M108 S109	A107-K111 PolarHBondContact O-N 2.9Å; M108-K111 PolarHBondContact O-N 2.81Å; S109-K111 PolarHBondContact O-N 2.89Å
112	W	91.6	Very high	85.8	Confident	39 Å²	39	73.9 Å²	73.9	15%	0.148	41%	0.405	C	S	.	.	S	Bend	trans	-78.4	-27	178.1	-64.6	-9.5	0	0	0	112.3	E77 A78 F81 A107 N110 T128 V129 I132	E77-W112 HydrophobicContact CB-CE3 4.14Å; E77-W112 HydrophobicContact CB-CZ3 3.73Å; E77-W112 HydrophobicContact CG-CE3 4.3Å; E77-W112 HydrophobicContact CG-CH2 3.9Å; E77-W112 HydrophobicContact CG-CZ3 3.44Å; E77-W112 VanDerWaalsContact CG-CZ3 3.44Å; A78-W112 HydrophobicContact CB-CZ3 4.47Å; F81-W112 HydrophobicContact CD2-CB 4.03Å; A107-W112 HydrophobicContact CB-CE3 4.44Å; A107-W112 PolarHBondContact O-N 2.69Å; N110-W112 HydrophobicContact CB-CD2 3.85Å; N110-W112 HydrophobicContact CB-CG 3.91Å; N110-W112 HydrophobicContact CB-CZ2 4.28Å; N110-W112 PolarHBondContact O-N 3.03Å; W112-T128 PolarHBondContact O-N 2.91Å; W112-V129 HydrophobicContact CB-CG2 4.42Å; W112-I132 HydrophobicContact CB-CG2 4.2Å; W112-I132 HydrophobicContact CD2-CB 4.25Å; W112-I132 HydrophobicContact CD2-CG2 3.61Å; W112-I132 HydrophobicContact CE3-CB 4.37Å; W112-I132 HydrophobicContact CE3-CD1 3.95Å; W112-I132 HydrophobicContact CE3-CG2 3.97Å; W112-I132 HydrophobicContact CG-CG2 3.72Å; W112-I132 HydrophobicContact CH2-CB 4.48Å; W112-I132 HydrophobicContact CH2-CD1 4.31Å; W112-I132 HydrophobicContact CZ2-CB 4.36Å; W112-I132 HydrophobicContact CZ3-CB 4.47Å; W112-I132 HydrophobicContact CZ3-CD1 3.75Å
113	I	91.3	Very high	85.8	Confident	5 Å²	5	72 Å²	72	3%	0.026	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.8	-176.5	61.6	170.5	0	0	0	110.3	V80 F81 I84 F104 A107 M108 I125 F126 T128	V80-I113 HydrophobicContact CG1-CD1 4.13Å; F81-I113 HydrophobicContact CD2-CG2 4.19Å; I84-I113 HydrophobicContact CD1-CB 4.35Å; I84-I113 HydrophobicContact CD1-CG2 3.53Å; F104-I113 HydrophobicContact CD2-CD1 3.62Å; F104-I113 HydrophobicContact CE2-CD1 4Å; A107-I113 HydrophobicContact CB-CD1 3.64Å; A107-I113 HydrophobicContact CB-CG1 3.76Å; A107-I113 HydrophobicContact CB-CG2 4.43Å; M108-I113 HydrophobicContact CG-CD1 4Å; M108-I113 HydrophobicContact CG-CG1 3.98Å; M108-I113 HydrophobicContact SD-CD1 4.29Å; M108-I113 HydrophobicContact SD-CG1 3.86Å; M108-I113 VanDerWaalsContact SD-O 3.4Å; I113-I125 HydrophobicContact CB-CG2 3.93Å; I113-I125 HydrophobicContact CD1-CG2 3.87Å; I113-I125 HydrophobicContact CG1-CG2 4.34Å; I113-I125 HydrophobicContact CG2-CG2 4.49Å; I113-F126 CarbonylContact C-O 3.54Å; I113-F126 VanDerWaalsContact CA-O 3.23Å; I113-F126 WeakPolarHBondContact CA-O 3.44Å; I113-T128 VanDerWaalsContact C-OG1 3.26Å
114	R	90.6	Very high	85.9	Confident	148 Å²	148	75.1 Å²	75.1	56%	0.558	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.3	175.7	64.3	-177.1	-176.9	130.8	1.8	110.4	I125 F126 T128	R114-I125 CarbonylContact O-C 3.6Å; R114-I125 WeakPolarHBondContact O-CA 3.01Å; R114-F126 HydrophobicContact CG-CB 4.04Å; R114-F126 PolarHBondContact N-O 3.43Å; R114-F126 PolarHBondContact O-N 2.96Å; R114-T128 WeakPolarHBondContact CB-OG1 3.49Å; R114-T128 WeakPolarHBondContact CG-OG1 3.28Å; R114-T128 PolarHBondContact N-OG1 2.68Å
115	V	90.4	Very high	85.9	Confident	41 Å²	41	73.9 Å²	73.9	25%	0.248	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128	177.3	-174.6	0	0	0	0	109.7	F104 M108 K117 P123 R124 I125	F104-V115 HydrophobicContact CE2-CG2 3.79Å; F104-V115 HydrophobicContact CZ-CG2 3.67Å; M108-V115 HydrophobicContact CE-CG2 4.2Å; M108-V115 HydrophobicContact SD-CG2 3.89Å; V115-K117 HydrophobicContact CG1-CG 4.13Å; V115-P123 HydrophobicContact CG1-CB 4.27Å; V115-R124 WeakPolarHBondContact CA-O 3.32Å; V115-I125 HydrophobicContact CG2-CG1 4.36Å
116	D	88.6	Confident	86	Confident	54 Å²	54	71.8 Å²	71.8	29%	0.289	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113.7	165.6	-171	-11.3	0	0	0	109	S118 P123 R124 F126	D116-S118 PolarHBondContact OD1-N 2.62Å; D116-S118 PolarHBondContact OD1-OG 3.01Å; D116-P123 WeakPolarHBondContact O-CA 3.45Å; D116-R124 PolarHBondContact N-O 2.84Å; D116-R124 PolarHBondContact O-N 3.33Å; D116-F126 HydrophobicContact CB-CD2 4.27Å; D116-F126 HydrophobicContact CB-CE2 3.94Å
117	K	83.6	Confident	86.1	Confident	175 Å²	175	72.5 Å²	72.5	76%	0.761	39%	0.388	S	S	*	.	S	Bend	trans	-87.9	-9.2	-179.2	-63.9	-177.9	-179.8	179	0	112.9	V115	V115-K117 HydrophobicContact CG1-CG 4.13Å
118	S	77.6	Confident	86.1	Confident	109 Å²	109	76 Å²	76	76%	0.762	41%	0.409	S	S	*	.	S	Bend	trans	-104.7	5.6	-173	23.7	0	0	0	0	113	D116	D116-S118 PolarHBondContact OD1-N 2.62Å; D116-S118 PolarHBondContact OD1-OG 3.01Å
119	H	79.8	Confident	86	Confident	72 Å²	72	75.3 Å²	75.3	33%	0.333	41%	0.409	S	S	.	.	S	Bend	trans	-71	139.3	179.3	-162	-70	0	0	0	111.4	G121 G122 R124 F126	H119-G121 PolarHBondContact O-N 3.19Å; H119-G122 PolarHBondContact O-N 3.48Å; H119-R124 HydrophobicContact CB-CB 4.12Å; H119-F126 AromaticContact CD2-CZ 3.95Å
120	D	65.8	Low	85.8	Confident	161 Å²	161	81.1 Å²	81.1	86%	0.861	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	120.5	176.4	-138.3	-2.4	0	0	0	109
121	G	72.6	Confident	85.7	Confident	85 Å²	85	83 Å²	83	88%	0.876	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	4.2	-170.6	0	0	0	0	0	116.7	H119	H119-G121 PolarHBondContact O-N 3.19Å
122	G	82.1	Confident	85.7	Confident	31 Å²	31	77.2 Å²	77.2	32%	0.32	42%	0.422	S	S	.	.	S	Bend	trans	102.8	-179.6	173.2	0	0	0	0	0	114.6	H119 R124	H119-G122 PolarHBondContact O-N 3.48Å; G122-R124 PolarHBondContact O-N 2.85Å
123	P	86.8	Confident	85.5	Confident	59 Å²	59	80.6 Å²	80.6	38%	0.383	44%	0.439	S	S	.	.			trans	-57.6	125.5	-172.7	-26	34.5	0	0	0	113.8	Q91 V115 D116	Q91-P123 HydrophobicContact CB-CB 4.27Å; Q91-P123 WeakPolarHBondContact CB-O 3.49Å; Q91-P123 PolarHBondContact N-O 3.42Å; V115-P123 HydrophobicContact CG1-CB 4.27Å; D116-P123 WeakPolarHBondContact O-CA 3.45Å
124	R	90.3	Very high	85.4	Confident	64 Å²	64	81.7 Å²	81.7	24%	0.242	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.6	-176.9	-149.1	169.7	-143.8	-131.4	0.5	111.6	E87 G88 L89 V115 D116 H119 G122 F126	E87-R124 PolarHBondContact O-NH1 2.87Å; G88-R124 PolarHBondContact O-NH1 3.25Å; G88-R124 VanDerWaalsContact O-NH1 3.12Å; G88-R124 PolarHBondContact O-NH2 3.15Å; L89-R124 WeakPolarHBondContact O-CG 3.37Å; V115-R124 WeakPolarHBondContact CA-O 3.32Å; D116-R124 PolarHBondContact N-O 2.84Å; D116-R124 PolarHBondContact O-N 3.33Å; H119-R124 HydrophobicContact CB-CB 4.12Å; G122-R124 PolarHBondContact O-N 2.85Å; R124-F126 HydrophobicContact CB-CE2 4.02Å; R124-F126 HydrophobicContact CB-CZ 4.48Å; R124-F126 HydrophobicContact CG-CE2 4.35Å; R124-F126 HydrophobicContact CG-CZ 4.42Å
125	I	90.3	Very high	85.2	Confident	0 Å²	0	80 Å²	80	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.8	-174.6	-52.9	170.8	0	0	0	109.1	I84 G88 L89 Q91 L94 F104 I113 R114 V115	I84-I125 HydrophobicContact CD1-CB 4.48Å; I84-I125 HydrophobicContact CD1-CG2 3.67Å; I84-I125 HydrophobicContact CG1-CG2 4.5Å; I84-I125 WeakPolarHBondContact CG2-O 3.38Å; G88-I125 CarbonylContact C-O 3.51Å; G88-I125 WeakPolarHBondContact CA-O 3.41Å; L89-I125 PolarHBondContact N-O 3.13Å; L89-I125 PolarHBondContact O-N 2.93Å; Q91-I125 HydrophobicContact CB-CD1 3.96Å; Q91-I125 HydrophobicContact CB-CG1 4.08Å; Q91-I125 HydrophobicContact CG-CD1 4.06Å; L94-I125 HydrophobicContact CB-CD1 4.2Å; L94-I125 HydrophobicContact CD2-CD1 3.34Å; L94-I125 HydrophobicContact CG-CD1 4.4Å; F104-I125 HydrophobicContact CD2-CD1 3.58Å; F104-I125 HydrophobicContact CE2-CD1 3.46Å; F104-I125 VanDerWaalsContact CE2-CD1 3.46Å; F104-I125 HydrophobicContact CE2-CG1 3.99Å; F104-I125 HydrophobicContact CE2-CG2 4.5Å; I113-I125 HydrophobicContact CB-CG2 3.93Å; I113-I125 HydrophobicContact CD1-CG2 3.87Å; I113-I125 HydrophobicContact CG1-CG2 4.34Å; I113-I125 HydrophobicContact CG2-CG2 4.49Å; R114-I125 CarbonylContact O-C 3.6Å; R114-I125 WeakPolarHBondContact O-CA 3.01Å; V115-I125 HydrophobicContact CG2-CG1 4.36Å
126	F	89.8	Confident	85.1	Confident	34 Å²	34	78.9 Å²	78.9	15%	0.149	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.2	177.5	-64.6	-90.4	0	0	0	111	E87 I113 R114 D116 H119 R124	E87-F126 WeakPolarHBondContact O-CE1 3.41Å; I113-F126 CarbonylContact C-O 3.54Å; I113-F126 VanDerWaalsContact CA-O 3.23Å; I113-F126 WeakPolarHBondContact CA-O 3.44Å; R114-F126 HydrophobicContact CG-CB 4.04Å; R114-F126 PolarHBondContact N-O 3.43Å; R114-F126 PolarHBondContact O-N 2.96Å; D116-F126 HydrophobicContact CB-CD2 4.27Å; D116-F126 HydrophobicContact CB-CE2 3.94Å; H119-F126 AromaticContact CD2-CZ 3.95Å; R124-F126 HydrophobicContact CB-CE2 4.02Å; R124-F126 HydrophobicContact CB-CZ 4.48Å; R124-F126 HydrophobicContact CG-CE2 4.35Å; R124-F126 HydrophobicContact CG-CZ 4.42Å
127	R	91	Very high	85.2	Confident	79 Å²	79	81 Å²	81	30%	0.298	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.9	167	-62.7	-178.5	-177.2	178.1	7.4	109.3	F81 N82 I84	F81-R127 HydrophobicContact CD2-CB 4.48Å; F81-R127 HydrophobicContact CD2-CG 4Å; F81-R127 HydrophobicContact CE2-CB 3.85Å; F81-R127 HydrophobicContact CE2-CG 3.71Å; F81-R127 HydrophobicContact CZ-CB 4.42Å; F81-R127 HydrophobicContact CZ-CG 4.18Å; F81-R127 VanDerWaalsContact O-CZ 3.26Å; F81-R127 PolarHBondContact O-NE 3.32Å; F81-R127 PolarHBondContact O-NH2 3.32Å; F81-R127 VanDerWaalsContact O-NH2 3.11Å; N82-R127 PolarHBondContact O-NH2 3.34Å; I84-R127 HydrophobicContact CB-CG 4.18Å; I84-R127 HydrophobicContact CG2-CG 4.06Å; I84-R127 PolarHBondContact O-NE 2.78Å; I84-R127 PolarHBondContact O-NH2 2.96Å
128	T	89.1	Confident	85.3	Confident	75 Å²	75	77.3 Å²	77.3	46%	0.46	43%	0.426	S	S	.	.	S	Bend	trans	-100.4	-23.8	176.2	-55.7	0	0	0	0	111.6	W112 I113 R114	W112-T128 PolarHBondContact O-N 2.91Å; I113-T128 VanDerWaalsContact C-OG1 3.26Å; R114-T128 WeakPolarHBondContact CB-OG1 3.49Å; R114-T128 WeakPolarHBondContact CG-OG1 3.28Å; R114-T128 PolarHBondContact N-OG1 2.68Å
129	V	88.9	Confident	85.8	Confident	57 Å²	57	74.1 Å²	74.1	35%	0.345	40%	0.399	S	S	.	.	S	Bend	trans	-120.2	154.9	177.4	-61.5	0	0	0	0	110	F81 W112 S131 I132	F81-V129 HydrophobicContact CE2-CG2 3.64Å; F81-V129 WeakPolarHBondContact CE2-O 3.37Å; F81-V129 HydrophobicContact CZ-CG2 4.04Å; F81-V129 VanDerWaalsContact CZ-O 3.26Å; F81-V129 WeakPolarHBondContact CZ-O 3.49Å; W112-V129 HydrophobicContact CB-CG2 4.42Å; V129-S131 WeakPolarHBondContact CG2-O 3.45Å; V129-I132 HydrophobicContact CG2-CG2 3.75Å
130	E	83	Confident	86.2	Confident	195 Å²	195	70.7 Å²	70.7	91%	0.911	38%	0.383	S	S	*	.	S	Bend	trans	-77.6	-34.6	179.4	-66.9	-176.4	172.8	0	0	112.5
131	S	86.5	Confident	87.1	Confident	98 Å²	98	65.6 Å²	65.6	69%	0.685	36%	0.355	S	S	*	.			trans	-139.9	156.8	-179.6	64.6	0	0	0	0	111.7	V129	V129-S131 WeakPolarHBondContact CG2-O 3.45Å
132	I	90.2	Very high	87.7	Confident	41 Å²	41	64.1 Å²	64.1	21%	0.21	33%	0.327	C	S	.	.			trans	-130.1	154.9	177.8	59	162.5	0	0	0	110.2	A78 F81 W112 V129	A78-I132 VanDerWaalsContact CA-CD1 3.49Å; A78-I132 HydrophobicContact CB-CD1 3.63Å; F81-I132 HydrophobicContact CB-CD1 3.74Å; F81-I132 HydrophobicContact CD1-CB 4.35Å; F81-I132 HydrophobicContact CD1-CD1 3.59Å; F81-I132 HydrophobicContact CD1-CG1 3.58Å; F81-I132 HydrophobicContact CD1-CG2 3.87Å; F81-I132 HydrophobicContact CD2-CG2 3.78Å; F81-I132 HydrophobicContact CE1-CB 4.42Å; F81-I132 HydrophobicContact CE1-CD1 4.41Å; F81-I132 HydrophobicContact CE1-CG1 3.9Å; F81-I132 HydrophobicContact CE1-CG2 3.86Å; F81-I132 HydrophobicContact CE2-CG2 3.76Å; F81-I132 HydrophobicContact CG-CD1 3.8Å; F81-I132 HydrophobicContact CG-CG1 4.13Å; F81-I132 HydrophobicContact CG-CG2 3.82Å; F81-I132 HydrophobicContact CZ-CG2 3.8Å; W112-I132 HydrophobicContact CB-CG2 4.2Å; W112-I132 HydrophobicContact CD2-CB 4.25Å; W112-I132 HydrophobicContact CD2-CG2 3.61Å; W112-I132 HydrophobicContact CE3-CB 4.37Å; W112-I132 HydrophobicContact CE3-CD1 3.95Å; W112-I132 HydrophobicContact CE3-CG2 3.97Å; W112-I132 HydrophobicContact CG-CG2 3.72Å; W112-I132 HydrophobicContact CH2-CB 4.48Å; W112-I132 HydrophobicContact CH2-CD1 4.31Å; W112-I132 HydrophobicContact CZ2-CB 4.36Å; W112-I132 HydrophobicContact CZ3-CB 4.47Å; W112-I132 HydrophobicContact CZ3-CD1 3.75Å; V129-I132 HydrophobicContact CG2-CG2 3.75Å
133	H	87.8	Confident	87.8	Confident	110 Å²	110	63 Å²	63	51%	0.509	31%	0.314	S	S	.	.			trans	-111.7	117.6	170.2	-170.9	55.9	0	0	0	109.8	Q135 E138	H133-Q135 VanDerWaalsContact C-N 3.3Å; H133-Q135 PolarHBondContact O-N 3.35Å; H133-E138 IonicContact CD2-OE2 3.4Å; H133-E138 IonicContact CE1-OE2 3.74Å; H133-E138 PolarHBondContact CE1-OE2 2.98Å; H133-E138 IonicContact NE2-OE2 3.63Å; H133-E138 PolarHBondContact NE2-OE2 3.13Å
134	D	89.4	Confident	87.6	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.144	32%	0.316	C	S	.	.			trans	-82.8	73	-177.2	-169.8	-1.9	0	0	0	111.6	G74 S75 A78 V136 R137 E138	G74-D134 WeakPolarHBondContact CA-OD2 3.16Å; S75-D134 VanDerWaalsContact CB-OD1 3.25Å; S75-D134 WeakPolarHBondContact CB-OD1 3.47Å; S75-D134 PolarHBondContact N-OD2 2.79Å; S75-D134 PolarHBondContact OG-OD1 2.88Å; S75-D134 PolarHBondContact OG-OD2 2.91Å; A78-D134 HydrophobicContact CB-CB 4.01Å; A78-D134 WeakPolarHBondContact CB-OD2 3.32Å; D134-V136 PolarHBondContact O-N 2.78Å; D134-V136 PolarHBondContact OD1-N 2.8Å; D134-R137 HydrophobicContact CB-CB 4.2Å; D134-R137 VanDerWaalsContact CG-CB 3.42Å; D134-R137 PolarHBondContact O-N 2.76Å; D134-R137 PolarHBondContact OD1-N 3.31Å; D134-R137 VanDerWaalsContact OD1-N 3.16Å; D134-R137 VanDerWaalsContact OD2-CB 3.27Å; D134-R137 WeakPolarHBondContact OD2-CB 3.43Å; D134-E138 PolarHBondContact O-N 3.13Å; D134-E138 VanDerWaalsContact O-N 3.14Å
135	Q	86.9	Confident	87.3	Confident	113 Å²	113	70.9 Å²	70.9	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-58.4	-28.2	179.5	-68.1	-177.5	-4.5	0	0	113	H133 K139	H133-Q135 VanDerWaalsContact C-N 3.3Å; H133-Q135 PolarHBondContact O-N 3.35Å; Q135-K139 WeakPolarHBondContact O-CB 3.33Å; Q135-K139 WeakPolarHBondContact O-CG 3Å; Q135-K139 PolarHBondContact O-N 3.35Å
136	V	87.8	Confident	86.5	Confident	18 Å²	18	73.9 Å²	73.9	11%	0.109	37%	0.371	C	S	.	.	H	α-helix	trans	-71	-45.8	-178.2	177.5	0	0	0	0	110	I70 E77 D134 K139 L140 L159 L164	I70-V136 HydrophobicContact CG2-CG1 4.28Å; E77-V136 WeakPolarHBondContact OE1-CG2 3.24Å; D134-V136 PolarHBondContact O-N 2.78Å; D134-V136 PolarHBondContact OD1-N 2.8Å; V136-K139 PolarHBondContact O-N 2.92Å; V136-L140 HydrophobicContact CG1-CD1 4.14Å; V136-L140 WeakPolarHBondContact O-CG 3.27Å; V136-L140 PolarHBondContact O-N 3.46Å; V136-L140 VanDerWaalsContact O-N 3.07Å; V136-L159 HydrophobicContact CG1-CD2 4.27Å; V136-L164 HydrophobicContact CG1-CD1 3.91Å
137	R	89.4	Confident	86	Confident	99 Å²	99	75.3 Å²	75.3	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-43.6	174.1	-175.4	-169.1	-169.9	-175.9	-0.6	111.6	A71 E72 D134 K139 L140 L141	A71-R137 PolarHBondContact O-NE 2.84Å; E72-R137 PolarHBondContact O-NH2 2.86Å; D134-R137 HydrophobicContact CB-CB 4.2Å; D134-R137 VanDerWaalsContact CG-CB 3.42Å; D134-R137 PolarHBondContact O-N 2.76Å; D134-R137 PolarHBondContact OD1-N 3.31Å; D134-R137 VanDerWaalsContact OD1-N 3.16Å; D134-R137 VanDerWaalsContact OD2-CB 3.27Å; D134-R137 WeakPolarHBondContact OD2-CB 3.43Å; R137-K139 PolarHBondContact O-N 3.23Å; R137-L140 PolarHBondContact O-N 2.97Å; R137-L141 HydrophobicContact CG-CD1 3.97Å; R137-L141 HydrophobicContact CG-CG 4.33Å; R137-L141 WeakPolarHBondContact O-CB 3.39Å; R137-L141 VanDerWaalsContact O-CG 3.31Å; R137-L141 WeakPolarHBondContact O-CG 3.03Å; R137-L141 PolarHBondContact O-N 3.25Å
138	E	87.1	Confident	85.1	Confident	96 Å²	96	72.1 Å²	72.1	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-46.3	178.8	-173.3	175.3	-162.1	0	0	111.8	H133 D134 L140 L141 L142	H133-E138 IonicContact CD2-OE2 3.4Å; H133-E138 IonicContact CE1-OE2 3.74Å; H133-E138 PolarHBondContact CE1-OE2 2.98Å; H133-E138 IonicContact NE2-OE2 3.63Å; H133-E138 PolarHBondContact NE2-OE2 3.13Å; D134-E138 PolarHBondContact O-N 3.13Å; D134-E138 VanDerWaalsContact O-N 3.14Å; E138-L140 PolarHBondContact O-N 2.85Å; E138-L141 PolarHBondContact O-N 2.88Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.11Å
139	K	87.8	Confident	84.3	Confident	42 Å²	42	72.9 Å²	72.9	18%	0.183	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-39.2	176.8	-68.8	175.4	-163.4	-159.6	0	112.7	Q135 V136 R137 L142 A143 L151 E155 L159	Q135-K139 WeakPolarHBondContact O-CB 3.33Å; Q135-K139 WeakPolarHBondContact O-CG 3Å; Q135-K139 PolarHBondContact O-N 3.35Å; V136-K139 PolarHBondContact O-N 2.92Å; R137-K139 PolarHBondContact O-N 3.23Å; K139-L142 PolarHBondContact O-N 3.43Å; K139-A143 PolarHBondContact O-N 3.04Å; K139-A143 VanDerWaalsContact O-N 3.07Å; K139-L151 HydrophobicContact CB-CD2 3.81Å; K139-L151 HydrophobicContact CD-CD2 4.41Å; K139-L151 HydrophobicContact CG-CD2 3.81Å; K139-E155 HydrophobicContact CD-CG 4.44Å; K139-E155 WeakPolarHBondContact CE-OE1 3.37Å; K139-E155 IonicContact NZ-OE1 3.87Å; K139-E155 PolarHBondContact NZ-OE1 3.49Å; K139-L159 HydrophobicContact CB-CD1 4.13Å
140	L	87.4	Confident	83.7	Confident	0 Å²	0	79 Å²	79	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-70.7	-34.1	176.4	-70.6	168.2	0	0	0	112.7	L63 I70 A71 V136 R137 E138 L142 A143 K144 L159 L164	L63-L140 HydrophobicContact CD2-CB 4.4Å; L63-L140 HydrophobicContact CG-CD2 4.39Å; I70-L140 HydrophobicContact CB-CD1 3.97Å; I70-L140 HydrophobicContact CG2-CD1 3.47Å; I70-L140 VanDerWaalsContact CG2-CD1 3.47Å; A71-L140 HydrophobicContact CB-CB 4.12Å; V136-L140 HydrophobicContact CG1-CD1 4.14Å; V136-L140 WeakPolarHBondContact O-CG 3.27Å; V136-L140 PolarHBondContact O-N 3.46Å; V136-L140 VanDerWaalsContact O-N 3.07Å; R137-L140 PolarHBondContact O-N 2.97Å; E138-L140 PolarHBondContact O-N 2.85Å; L140-L142 VanDerWaalsContact C-N 3.35Å; L140-A143 PolarHBondContact O-N 3.38Å; L140-K144 WeakPolarHBondContact O-CB 3.5Å; L140-K144 PolarHBondContact O-N 2.79Å; L140-L159 HydrophobicContact CD2-CD1 4.24Å; L140-L159 HydrophobicContact CD2-CD2 4.3Å; L140-L159 HydrophobicContact CG-CD2 4.33Å; L140-L164 HydrophobicContact CD1-CB 4.14Å; L140-L164 HydrophobicContact CD1-CD1 4.06Å; L140-L164 HydrophobicContact CD2-CB 3.93Å
141	L	86.2	Confident	83.7	Confident	54 Å²	54	70 Å²	70	28%	0.283	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-36.2	173.1	-74.4	170.9	0	0	0	112.1	A71 R137 E138 K144 R145	A71-L141 HydrophobicContact CB-CD2 4.16Å; A71-L141 HydrophobicContact CB-CG 4.46Å; R137-L141 HydrophobicContact CG-CD1 3.97Å; R137-L141 HydrophobicContact CG-CG 4.33Å; R137-L141 WeakPolarHBondContact O-CB 3.39Å; R137-L141 VanDerWaalsContact O-CG 3.31Å; R137-L141 WeakPolarHBondContact O-CG 3.03Å; R137-L141 PolarHBondContact O-N 3.25Å; E138-L141 PolarHBondContact O-N 2.88Å; L141-K144 PolarHBondContact O-N 3.42Å; L141-R145 WeakPolarHBondContact O-CG 3.33Å; L141-R145 PolarHBondContact O-N 2.89Å
142	L	84.4	Confident	83.6	Confident	54 Å²	54	69.4 Å²	69.4	28%	0.283	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-45.1	170.8	-71.3	169.8	0	0	0	111.2	E138 K139 L140 K144 R145 D147	E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.11Å; K139-L142 PolarHBondContact O-N 3.43Å; L140-L142 VanDerWaalsContact C-N 3.35Å; L142-K144 PolarHBondContact O-N 3.45Å; L142-R145 PolarHBondContact O-N 3.47Å; L142-D147 PolarHBondContact O-N 3.23Å
143	A	83.3	Confident	83.2	Confident	7 Å²	7	72.5 Å²	72.5	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-40.2	175.2	0	0	0	0	0	112.6	L63 K139 L140 R145 G146 A148 L151 L165	L63-A143 HydrophobicContact CD1-CB 3.76Å; K139-A143 PolarHBondContact O-N 3.04Å; K139-A143 VanDerWaalsContact O-N 3.07Å; L140-A143 PolarHBondContact O-N 3.38Å; A143-R145 VanDerWaalsContact C-N 3.27Å; A143-R145 PolarHBondContact O-N 3.41Å; A143-G146 PolarHBondContact O-N 3.09Å; A143-G146 VanDerWaalsContact O-N 3.16Å; A143-A148 HydrophobicContact CB-CB 4.18Å; A143-L151 HydrophobicContact CB-CD1 4.25Å; A143-L165 HydrophobicContact CB-CD1 3.85Å
144	K	83.9	Confident	83.1	Confident	98 Å²	98	75.3 Å²	75.3	43%	0.426	37%	0.373	S	S	.	.	H	α-helix	trans	-65.1	-27.9	179.8	-168.8	173.6	-175.6	173.6	0	113	L63 A71 E72 L140 L141 L142 G146	L63-K144 HydrophobicContact CD1-CB 4.09Å; L63-K144 HydrophobicContact CD2-CB 3.97Å; L63-K144 HydrophobicContact CD2-CD 4.45Å; L63-K144 HydrophobicContact CD2-CG 4.39Å; A71-K144 HydrophobicContact CB-CD 4.42Å; E72-K144 IonicContact OE1-NZ 3.02Å; E72-K144 PolarHBondContact OE1-NZ 3.26Å; L140-K144 WeakPolarHBondContact O-CB 3.5Å; L140-K144 PolarHBondContact O-N 2.79Å; L141-K144 PolarHBondContact O-N 3.42Å; L142-K144 PolarHBondContact O-N 3.45Å; K144-G146 VanDerWaalsContact C-N 3.26Å; K144-G146 PolarHBondContact O-N 3.04Å
145	R	82.3	Confident	82.9	Confident	191 Å²	191	76.1 Å²	76.1	72%	0.721	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	3.6	177.9	-69.5	176.1	-173.8	180	2.9	113.8	L141 L142 A143 D147	L141-R145 WeakPolarHBondContact O-CG 3.33Å; L141-R145 PolarHBondContact O-N 2.89Å; L142-R145 PolarHBondContact O-N 3.47Å; A143-R145 VanDerWaalsContact C-N 3.27Å; A143-R145 PolarHBondContact O-N 3.41Å; R145-D147 VanDerWaalsContact C-N 3.29Å
146	G	74	Confident	82.8	Confident	64 Å²	64	71.6 Å²	71.6	66%	0.66	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	1.4	-176.9	0	0	0	0	0	114.1	A143 K144 A148	A143-G146 PolarHBondContact O-N 3.09Å; A143-G146 VanDerWaalsContact O-N 3.16Å; K144-G146 VanDerWaalsContact C-N 3.26Å; K144-G146 PolarHBondContact O-N 3.04Å; G146-A148 VanDerWaalsContact C-N 3.27Å; G146-A148 PolarHBondContact O-N 2.75Å
147	D	78.9	Confident	82.7	Confident	64 Å²	64	74.4 Å²	74.4	34%	0.342	37%	0.369	S	S	.	.			trans	-91.1	25.4	179.6	-78.1	-35.8	0	0	0	112.6	L142 R145 A149 R150	L142-D147 PolarHBondContact O-N 3.23Å; R145-D147 VanDerWaalsContact C-N 3.29Å; D147-A149 PolarHBondContact O-N 3.25Å; D147-R150 HydrophobicContact CB-CG 4.44Å; D147-R150 WeakPolarHBondContact O-CB 3.32Å; D147-R150 PolarHBondContact O-N 3.08Å
148	A	72.8	Confident	82.6	Confident	11 Å²	11	73.7 Å²	73.7	9%	0.091	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-58.1	-19.9	179.4	0	0	0	0	0	113.2	W61 A143 G146 R150 L151 K156	W61-A148 HydrophobicContact CB-CB 4.12Å; A143-A148 HydrophobicContact CB-CB 4.18Å; G146-A148 VanDerWaalsContact C-N 3.27Å; G146-A148 PolarHBondContact O-N 2.75Å; A148-R150 PolarHBondContact O-N 3.26Å; A148-L151 PolarHBondContact O-N 3.28Å; A148-K156 WeakPolarHBondContact O-CE 3.39Å
149	A	71.9	Confident	82.6	Confident	92 Å²	92	69.4 Å²	69.4	76%	0.76	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21.5	173.4	0	0	0	0	0	113.9	D147 L151	D147-A149 PolarHBondContact O-N 3.25Å; A149-L151 VanDerWaalsContact C-N 3.31Å
150	R	77.9	Confident	82.7	Confident	186 Å²	186	71.5 Å²	71.5	70%	0.702	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-78.7	-13.7	176.8	-66.3	-174.2	172.5	-176	-2.1	113.7	D147 A148	D147-R150 HydrophobicContact CB-CG 4.44Å; D147-R150 WeakPolarHBondContact O-CB 3.32Å; D147-R150 PolarHBondContact O-N 3.08Å; A148-R150 PolarHBondContact O-N 3.26Å
151	L	82	Confident	82.6	Confident	6 Å²	6	80.4 Å²	80.4	3%	0.031	40%	0.397	C	S	.	.	S	Bend	trans	-78.1	135.4	171.4	-61.3	172.5	0	0	0	109	K139 A143 A148 A149 E155 K156 L159	K139-L151 HydrophobicContact CB-CD2 3.81Å; K139-L151 HydrophobicContact CD-CD2 4.41Å; K139-L151 HydrophobicContact CG-CD2 3.81Å; A143-L151 HydrophobicContact CB-CD1 4.25Å; A148-L151 PolarHBondContact O-N 3.28Å; A149-L151 VanDerWaalsContact C-N 3.31Å; L151-E155 WeakPolarHBondContact CA-OE2 3.42Å; L151-E155 HydrophobicContact CB-CB 4.43Å; L151-K156 HydrophobicContact CB-CG 3.92Å; L151-K156 WeakPolarHBondContact O-CE 3.31Å; L151-K156 PolarHBondContact O-NZ 2.97Å; L151-L159 HydrophobicContact CD1-CD1 4.21Å
152	D	84.1	Confident	82.6	Confident	84 Å²	84	80.4 Å²	80.4	45%	0.449	39%	0.393	S	S	.	.			trans	-71.4	164.8	173.8	77.5	31.2	0	0	0	111.1	K154 E155 K156	D152-K154 PolarHBondContact O-N 2.98Å; D152-K154 WeakPolarHBondContact OD1-CA 3.42Å; D152-K154 VanDerWaalsContact OD1-CB 3.26Å; D152-K154 WeakPolarHBondContact OD1-CB 3.37Å; D152-K154 PolarHBondContact OD1-N 3.1Å; D152-E155 PolarHBondContact N-OE2 2.96Å; D152-E155 VanDerWaalsContact N-OE2 3.09Å; D152-E155 PolarHBondContact O-N 3.08Å; D152-E155 WeakPolarHBondContact OD1-CB 3.34Å; D152-E155 VanDerWaalsContact OD1-CG 3.28Å; D152-E155 WeakPolarHBondContact OD1-CG 3.47Å; D152-E155 PolarHBondContact OD1-N 2.89Å; D152-K156 WeakPolarHBondContact O-CG 3.4Å; D152-K156 PolarHBondContact O-N 2.87Å; D152-K156 VanDerWaalsContact O-N 3.08Å
153	E	82.8	Confident	82.8	Confident	107 Å²	107	85.2 Å²	85.2	50%	0.5	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-25.2	-178.8	-74.9	-56	126.9	0	0	113.3	K156 N157	E153-K156 WeakPolarHBondContact OE1-CD 3.37Å; E153-K156 IonicContact OE1-NZ 3.52Å; E153-K156 PolarHBondContact OE1-NZ 3.18Å; E153-N157 VanDerWaalsContact O-CB 3.29Å; E153-N157 WeakPolarHBondContact O-CB 3.41Å; E153-N157 VanDerWaalsContact O-CG 3.26Å; E153-N157 PolarHBondContact O-N 3.37Å; E153-N157 VanDerWaalsContact O-N 3.11Å; E153-N157 PolarHBondContact O-ND2 2.87Å
154	K	85.1	Confident	83	Confident	169 Å²	169	85 Å²	85	74%	0.735	41%	0.41	S	S	*	.	H	α-helix	trans	-72.1	-41	177.8	-173.2	-178.5	175.9	-175.3	0	110.4	D152 N157 E158	D152-K154 PolarHBondContact O-N 2.98Å; D152-K154 WeakPolarHBondContact OD1-CA 3.42Å; D152-K154 VanDerWaalsContact OD1-CB 3.26Å; D152-K154 WeakPolarHBondContact OD1-CB 3.37Å; D152-K154 PolarHBondContact OD1-N 3.1Å; K154-N157 PolarHBondContact O-N 3.27Å; K154-E158 PolarHBondContact O-N 3.48Å
155	E	85.9	Confident	83.2	Confident	44 Å²	44	80.5 Å²	80.5	21%	0.206	39%	0.391	C	S	.	.	H	α-helix	trans	-66.4	-46.1	177.2	-68.7	178.1	138.5	0	0	111.9	K139 L151 D152 N157 E158 L159	K139-E155 HydrophobicContact CD-CG 4.44Å; K139-E155 WeakPolarHBondContact CE-OE1 3.37Å; K139-E155 IonicContact NZ-OE1 3.87Å; K139-E155 PolarHBondContact NZ-OE1 3.49Å; L151-E155 WeakPolarHBondContact CA-OE2 3.42Å; L151-E155 HydrophobicContact CB-CB 4.43Å; D152-E155 PolarHBondContact N-OE2 2.96Å; D152-E155 VanDerWaalsContact N-OE2 3.09Å; D152-E155 PolarHBondContact O-N 3.08Å; D152-E155 WeakPolarHBondContact OD1-CB 3.34Å; D152-E155 VanDerWaalsContact OD1-CG 3.28Å; D152-E155 WeakPolarHBondContact OD1-CG 3.47Å; D152-E155 PolarHBondContact OD1-N 2.89Å; E155-N157 VanDerWaalsContact C-N 3.32Å; E155-N157 PolarHBondContact O-N 2.8Å; E155-E158 PolarHBondContact O-N 3.5Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 3.02Å
156	K	84.7	Confident	83.5	Confident	18 Å²	18	73.2 Å²	73.2	8%	0.078	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-43.6	174.9	-68.1	174.9	-168.4	156.5	0	111.6	W61 A148 L151 D152 E153 E158 L159 K160 L165	W61-K156 HydrophobicContact CH2-CB 4.15Å; W61-K156 HydrophobicContact CZ2-CB 4.12Å; W61-K156 HydrophobicContact CZ2-CD 4.01Å; A148-K156 WeakPolarHBondContact O-CE 3.39Å; L151-K156 HydrophobicContact CB-CG 3.92Å; L151-K156 WeakPolarHBondContact O-CE 3.31Å; L151-K156 PolarHBondContact O-NZ 2.97Å; D152-K156 WeakPolarHBondContact O-CG 3.4Å; D152-K156 PolarHBondContact O-N 2.87Å; D152-K156 VanDerWaalsContact O-N 3.08Å; E153-K156 WeakPolarHBondContact OE1-CD 3.37Å; E153-K156 IonicContact OE1-NZ 3.52Å; E153-K156 PolarHBondContact OE1-NZ 3.18Å; K156-E158 VanDerWaalsContact C-N 3.35Å; K156-E158 PolarHBondContact O-N 3.15Å; K156-L159 PolarHBondContact O-N 3.38Å; K156-K160 VanDerWaalsContact O-CB 3.26Å; K156-K160 WeakPolarHBondContact O-CB 3.44Å; K156-K160 PolarHBondContact O-N 3.26Å; K156-L165 HydrophobicContact CB-CD2 4.5Å; K156-L165 HydrophobicContact CG-CD2 4.37Å
157	N	85.3	Confident	84.2	Confident	77 Å²	77	73.3 Å²	73.3	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-66.5	-34.9	178.3	-79.5	-47.9	0	0	0	112.8	E153 K154 E155 K161	E153-N157 VanDerWaalsContact O-CB 3.29Å; E153-N157 WeakPolarHBondContact O-CB 3.41Å; E153-N157 VanDerWaalsContact O-CG 3.26Å; E153-N157 PolarHBondContact O-N 3.37Å; E153-N157 VanDerWaalsContact O-N 3.11Å; E153-N157 PolarHBondContact O-ND2 2.87Å; K154-N157 PolarHBondContact O-N 3.27Å; E155-N157 VanDerWaalsContact C-N 3.32Å; E155-N157 PolarHBondContact O-N 2.8Å; N157-K161 WeakPolarHBondContact O-CB 3.44Å; N157-K161 WeakPolarHBondContact O-CG 3.38Å; N157-K161 PolarHBondContact O-N 2.88Å
158	E	86.8	Confident	84.4	Confident	84 Å²	84	72.4 Å²	72.4	39%	0.393	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-48	173.2	-171.7	179.8	172	0	0	111.4	K106 K154 E155 K156 K160 K161 R162	K106-E158 IonicContact NZ-OE1 2.77Å; K154-E158 PolarHBondContact O-N 3.48Å; E155-E158 PolarHBondContact O-N 3.5Å; K156-E158 VanDerWaalsContact C-N 3.35Å; K156-E158 PolarHBondContact O-N 3.15Å; E158-K160 VanDerWaalsContact C-N 3.31Å; E158-K160 PolarHBondContact O-N 3.4Å; E158-K161 PolarHBondContact O-N 2.96Å; E158-R162 WeakPolarHBondContact O-CG 3.34Å; E158-R162 PolarHBondContact O-N 3.32Å
159	L	87.8	Confident	85	Confident	5 Å²	5	75 Å²	75	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-63.5	-36.5	177.5	-67.1	174.5	0	0	0	112.2	V136 K139 L140 L151 E155 K156 R162 K163 L164 L165	V136-L159 HydrophobicContact CG1-CD2 4.27Å; K139-L159 HydrophobicContact CB-CD1 4.13Å; L140-L159 HydrophobicContact CD2-CD1 4.24Å; L140-L159 HydrophobicContact CD2-CD2 4.3Å; L140-L159 HydrophobicContact CG-CD2 4.33Å; L151-L159 HydrophobicContact CD1-CD1 4.21Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 3.02Å; K156-L159 PolarHBondContact O-N 3.38Å; L159-R162 CarbonylContact O-C 3.41Å; L159-R162 PolarHBondContact O-N 3.45Å; L159-K163 PolarHBondContact O-N 3.18Å; L159-L164 HydrophobicContact CD2-CB 4.49Å; L159-L164 HydrophobicContact CD2-CD1 4.22Å; L159-L164 PolarHBondContact O-N 3.17Å; L159-L165 HydrophobicContact CB-CB 3.87Å; L159-L165 PolarHBondContact O-N 3.11Å
160	K	88.4	Confident	85.5	Confident	87 Å²	87	72.1 Å²	72.1	38%	0.378	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-45.9	173.4	-174.2	175	-176.3	169.4	0	112.1	W61 K156 E158 R162 K163 L165 E167	W61-K160 HydrophobicContact CH2-CD 3.89Å; W61-K160 HydrophobicContact CZ3-CB 4.3Å; W61-K160 HydrophobicContact CZ3-CD 3.95Å; W61-K160 HydrophobicContact CZ3-CG 4.44Å; K156-K160 VanDerWaalsContact O-CB 3.26Å; K156-K160 WeakPolarHBondContact O-CB 3.44Å; K156-K160 PolarHBondContact O-N 3.26Å; E158-K160 VanDerWaalsContact C-N 3.31Å; E158-K160 PolarHBondContact O-N 3.4Å; K160-R162 PolarHBondContact O-N 2.96Å; K160-K163 PolarHBondContact O-N 3.28Å; K160-L165 WeakPolarHBondContact CA-O 3.32Å; K160-E167 IonicContact NZ-OE2 3.91Å; K160-E167 PolarHBondContact NZ-OE2 3.44Å; K160-E167 VanDerWaalsContact NZ-OE2 3.08Å
161	K	86.4	Confident	86.1	Confident	186 Å²	186	69.5 Å²	69.5	81%	0.809	33%	0.333	S	S	*	.	H	α-helix	trans	-60.8	-33.6	174.4	-79.3	179.9	-180	-179.8	0	112.4	N157 E158 K163	N157-K161 WeakPolarHBondContact O-CB 3.44Å; N157-K161 WeakPolarHBondContact O-CG 3.38Å; N157-K161 PolarHBondContact O-N 2.88Å; E158-K161 PolarHBondContact O-N 2.96Å; K161-K163 PolarHBondContact O-N 3.1Å
162	R	86.1	Confident	86.5	Confident	54 Å²	54	69.7 Å²	69.7	20%	0.204	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.2	174.7	-67.8	177.2	65.6	156.4	4.7	113.8	E77 E158 L159 K160 L164	E77-R162 IonicContact OE1-CZ 3.49Å; E77-R162 IonicContact OE1-NH1 3.88Å; E77-R162 PolarHBondContact OE1-NH1 3.22Å; E77-R162 IonicContact OE1-NH2 2.88Å; E77-R162 PolarHBondContact OE1-NH2 2.91Å; E77-R162 IonicContact OE2-NH2 2.7Å; E77-R162 PolarHBondContact OE2-NH2 3.37Å; E158-R162 WeakPolarHBondContact O-CG 3.34Å; E158-R162 PolarHBondContact O-N 3.32Å; L159-R162 CarbonylContact O-C 3.41Å; L159-R162 PolarHBondContact O-N 3.45Å; K160-R162 PolarHBondContact O-N 2.96Å; R162-L164 HydrophobicContact CB-CD1 3.95Å; R162-L164 HydrophobicContact CB-CG 3.82Å; R162-L164 PolarHBondContact O-N 3.49Å
163	K	87.8	Confident	86.9	Confident	155 Å²	155	67.5 Å²	67.5	67%	0.674	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	27.9	-176	-54.7	-178	178.7	-178.2	0	114.3	T64 L159 K160 K161	T64-K163 WeakPolarHBondContact CB-O 3.47Å; T64-K163 VanDerWaalsContact CG2-O 3.28Å; T64-K163 WeakPolarHBondContact CG2-O 3.42Å; T64-K163 PolarHBondContact OG1-O 3.15Å; L159-K163 PolarHBondContact O-N 3.18Å; K160-K163 PolarHBondContact O-N 3.28Å; K161-K163 PolarHBondContact O-N 3.1Å
164	L	88.6	Confident	87.3	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.016	31%	0.309	C	S	.	.	S	Bend	trans	-97.7	-21.1	-179.9	-54.3	-178.7	0	0	0	112.8	T64 E66 G67 I70 V136 L140 L159 R162	T64-L164 PolarHBondContact N-O 3.07Å; T64-L164 WeakPolarHBondContact OG1-CA 3.49Å; T64-L164 PolarHBondContact OG1-O 3.45Å; E66-L164 HydrophobicContact CB-CD2 4.32Å; E66-L164 HydrophobicContact CG-CD2 3.85Å; G67-L164 WeakPolarHBondContact CA-O 3.3Å; I70-L164 HydrophobicContact CD1-CD1 3.85Å; I70-L164 HydrophobicContact CD1-CD2 3.51Å; I70-L164 HydrophobicContact CD1-CG 4.33Å; V136-L164 HydrophobicContact CG1-CD1 3.91Å; L140-L164 HydrophobicContact CD1-CB 4.14Å; L140-L164 HydrophobicContact CD1-CD1 4.06Å; L140-L164 HydrophobicContact CD2-CB 3.93Å; L159-L164 HydrophobicContact CD2-CB 4.49Å; L159-L164 HydrophobicContact CD2-CD1 4.22Å; L159-L164 PolarHBondContact O-N 3.17Å; R162-L164 HydrophobicContact CB-CD1 3.95Å; R162-L164 HydrophobicContact CB-CG 3.82Å; R162-L164 PolarHBondContact O-N 3.49Å
165	L	88.7	Confident	87.6	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.9	179	-164.5	76.5	0	0	0	108.9	W61 E62 L63 A143 K156 L159 K160	W61-L165 HydrophobicContact CB-CD1 4.35Å; W61-L165 HydrophobicContact CB-CD2 4.19Å; W61-L165 HydrophobicContact CB-CG 4.31Å; W61-L165 HydrophobicContact CD2-CD2 3.89Å; W61-L165 HydrophobicContact CD2-CG 4.4Å; W61-L165 HydrophobicContact CE3-CD2 3.44Å; W61-L165 VanDerWaalsContact CE3-CD2 3.44Å; W61-L165 HydrophobicContact CE3-CG 3.66Å; W61-L165 HydrophobicContact CG-CD2 4.25Å; W61-L165 HydrophobicContact CZ3-CD2 3.99Å; W61-L165 HydrophobicContact CZ3-CG 4.31Å; E62-L165 WeakPolarHBondContact O-CD1 3.36Å; L63-L165 HydrophobicContact CD1-CD1 4.22Å; L63-L165 HydrophobicContact CG-CD1 4.49Å; A143-L165 HydrophobicContact CB-CD1 3.85Å; K156-L165 HydrophobicContact CB-CD2 4.5Å; K156-L165 HydrophobicContact CG-CD2 4.37Å; L159-L165 HydrophobicContact CB-CB 3.87Å; L159-L165 PolarHBondContact O-N 3.11Å; K160-L165 WeakPolarHBondContact CA-O 3.32Å
166	A	88.1	Confident	87.8	Confident	38 Å²	38	57.6 Å²	57.6	31%	0.314	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.4	177.7	0	0	0	0	0	110.5	W61 E62 T64	W61-A166 WeakPolarHBondContact CA-O 3.4Å; E62-A166 PolarHBondContact N-O 3.21Å; E62-A166 PolarHBondContact O-N 2.92Å; T64-A166 HydrophobicContact CG2-CB 4Å
167	E	87.3	Confident	88.1	Confident	67 Å²	67	61.1 Å²	61.1	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	109.1	172.4	-173.9	-176.4	-158.8	0	0	107.5	K59 W61 K160	K59-E167 WeakPolarHBondContact CD-OE1 3.18Å; K59-E167 IonicContact NZ-OE1 3.68Å; K59-E167 PolarHBondContact NZ-OE1 3.35Å; W61-E167 HydrophobicContact CD2-CB 4.18Å; W61-E167 HydrophobicContact CD2-CG 4.48Å; W61-E167 HydrophobicContact CE3-CB 3.81Å; W61-E167 HydrophobicContact CH2-CB 3.91Å; W61-E167 HydrophobicContact CH2-CG 4.46Å; W61-E167 HydrophobicContact CZ2-CB 4.18Å; W61-E167 HydrophobicContact CZ2-CG 4.25Å; W61-E167 HydrophobicContact CZ3-CB 3.7Å; K160-E167 IonicContact NZ-OE2 3.91Å; K160-E167 PolarHBondContact NZ-OE2 3.44Å; K160-E167 VanDerWaalsContact NZ-OE2 3.08Å
168	V	83.9	Confident	88	Confident	45 Å²	45	58 Å²	58	27%	0.273	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.2	178.8	-179.5	0	0	0	0	108	K59 H60 E62 V170	K59-V168 WeakPolarHBondContact CA-O 3.19Å; H60-V168 PolarHBondContact N-O 3.39Å; H60-V168 PolarHBondContact O-N 2.9Å; E62-V168 HydrophobicContact CB-CG2 4.06Å; E62-V168 HydrophobicContact CG-CG2 3.99Å; V168-V170 HydrophobicContact CG1-CG2 4.26Å
169	T	85	Confident	87.7	Confident	64 Å²	64	61.4 Å²	61.4	39%	0.393	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.6	174.4	-56.6	0	0	0	0	108.4	S58 K59 K171	S58-T169 WeakPolarHBondContact O-CA 3.41Å; K59-T169 HydrophobicContact CG-CG2 4.29Å; T169-K171 HydrophobicContact CG2-CG 4.37Å
170	V	83.8	Confident	87.3	Confident	33 Å²	33	64.9 Å²	64.9	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.5	172.9	-175.4	0	0	0	0	107.6	S57 S58 V168	S57-V170 WeakPolarHBondContact CA-O 3.46Å; S58-V170 PolarHBondContact N-O 3.43Å; S58-V170 PolarHBondContact O-N 3.3Å; V168-V170 HydrophobicContact CG1-CG2 4.26Å
171	K	88.9	Confident	87	Confident	131 Å²	131	63.1 Å²	63.1	57%	0.57	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.8	176.5	-69.3	-176.2	-179.6	-178.3	0	108.5	H34 L55 R56 T169	H34-K171 PolarHBondContact CE1-O 3.49Å; H34-K171 VanDerWaalsContact CE1-O 3.23Å; L55-K171 HydrophobicContact CD1-CB 4.13Å; R56-K171 WeakPolarHBondContact O-CA 3.37Å; T169-K171 HydrophobicContact CG2-CG 4.37Å
172	S	91.6	Very high	86.7	Confident	10 Å²	10	56.5 Å²	56.5	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.7	173	68.5	0	0	0	0	110	D22 R56	D22-S172 VanDerWaalsContact OD1-CB 3.27Å; D22-S172 WeakPolarHBondContact OD1-CB 3.43Å; D22-S172 WeakPolarHBondContact OD2-CB 3.47Å; D22-S172 PolarHBondContact OD2-OG 3Å; R56-S172 PolarHBondContact N-O 3.1Å; R56-S172 PolarHBondContact O-N 3.15Å
173	Y	91.3	Very high	86.4	Confident	38 Å²	38	55.8 Å²	55.8	15%	0.149	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131	171	-72.3	-87.9	0	0	0	110.1	S23 V38 V41 A53 E54 L55	S23-Y173 PolarHBondContact N-O 2.91Å; S23-Y173 PolarHBondContact OG-N 2.81Å; S23-Y173 PolarHBondContact OG-O 3.31Å; V38-Y173 HydrophobicContact CG1-CE2 3.99Å; V38-Y173 HydrophobicContact CG2-CD2 4.26Å; V38-Y173 HydrophobicContact CG2-CE2 4.32Å; V41-Y173 HydrophobicContact CG1-CD1 4.34Å; V41-Y173 HydrophobicContact CG1-CG 4.21Å; A53-Y173 HydrophobicContact CB-CD1 3.91Å; A53-Y173 HydrophobicContact CB-CG 4.48Å; E54-Y173 CarbonylContact O-C 3.57Å; E54-Y173 WeakPolarHBondContact O-CA 3.46Å; L55-Y173 HydrophobicContact CB-CD1 4.3Å; L55-Y173 HydrophobicContact CB-CE1 4Å; L55-Y173 HydrophobicContact CD1-CD1 4.26Å; L55-Y173 HydrophobicContact CD1-CD2 4.36Å; L55-Y173 HydrophobicContact CD1-CE1 3.87Å; L55-Y173 HydrophobicContact CD1-CE2 3.96Å; L55-Y173 HydrophobicContact CD1-CG 4.49Å
174	W	92.1	Very high	85.5	Confident	69 Å²	69	52.8 Å²	52.8	26%	0.261	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.8	163.5	-172.5	-100.7	0	0	0	109.2	D22 A53 E54 R56	D22-W174 HydrophobicContact CB-CE3 4.15Å; D22-W174 HydrophobicContact CB-CZ3 4.22Å; A53-W174 WeakPolarHBondContact CA-O 3.45Å; E54-W174 HydrophobicContact CB-CB 4.34Å; E54-W174 PolarHBondContact N-O 3.07Å; E54-W174 PolarHBondContact O-N 2.87Å; R56-W174 HydrophobicContact CG-CB 4.31Å; R56-W174 VanDerWaalsContact CZ-CB 3.47Å; R56-W174 VanDerWaalsContact NH1-CE3 3.29Å; R56-W174 VanDerWaalsContact NH2-CD1 3.31Å; R56-W174 VanDerWaalsContact NH2-CG 3.28Å
175	I	92	Very high	84.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.2	-168.7	-59.1	141.8	0	0	0	109.5	F10 I14 G20 A21 V41 I51 S52 A53	F10-I175 HydrophobicContact CE2-CD1 3.85Å; F10-I175 HydrophobicContact CZ-CD1 3.84Å; F10-I175 HydrophobicContact CZ-CG1 4.46Å; F10-I175 HydrophobicContact CZ-CG2 4.06Å; I14-I175 HydrophobicContact CD1-CB 4.17Å; I14-I175 HydrophobicContact CD1-CG2 3.9Å; I14-I175 HydrophobicContact CG1-CG2 4.21Å; G20-I175 CarbonylContact C-O 3.53Å; G20-I175 WeakPolarHBondContact CA-O 3.41Å; A21-I175 PolarHBondContact N-O 3.15Å; A21-I175 PolarHBondContact O-N 3.05Å; V41-I175 HydrophobicContact CG2-CD1 3.67Å; V41-I175 HydrophobicContact CG2-CG1 4Å; I51-I175 HydrophobicContact CB-CG2 4.25Å; I51-I175 HydrophobicContact CD1-CG2 4.15Å; I51-I175 HydrophobicContact CG2-CG2 4.47Å; S52-I175 CarbonylContact O-C 3.56Å; S52-I175 WeakPolarHBondContact O-CA 3.31Å; A53-I175 HydrophobicContact CB-CG1 4.29Å
176	T	90.3	Very high	83.4	Confident	43 Å²	43	61.1 Å²	61.1	26%	0.264	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.8	176.7	53.6	0	0	0	0	110.5	I51 S52	I51-T176 WeakPolarHBondContact CA-O 3.48Å; S52-T176 WeakPolarHBondContact CB-OG1 3.45Å; S52-T176 PolarHBondContact N-O 3.02Å; S52-T176 PolarHBondContact O-N 3.3Å; S52-T176 PolarHBondContact O-OG1 3.34Å
177	K	89.8	Confident	82.5	Confident	91 Å²	91	68.2 Å²	68.2	40%	0.396	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.7	178.7	-60.8	172.2	-173.9	173.8	0	109.3	I14 E15 F181	I14-K177 HydrophobicContact CG2-CG 4.04Å; I14-K177 WeakPolarHBondContact O-CE 3.5Å; E15-K177 WeakPolarHBondContact O-CE 3.41Å; E15-K177 PolarHBondContact O-NZ 2.69Å; K177-F181 HydrophobicContact CB-CB 4.14Å; K177-F181 HydrophobicContact CB-CD2 4.03Å; K177-F181 HydrophobicContact CB-CG 4.05Å; K177-F181 HydrophobicContact CD-CD1 4.45Å; K177-F181 HydrophobicContact CG-CD1 4.37Å; K177-F181 HydrophobicContact CG-CD2 3.91Å; K177-F181 HydrophobicContact CG-CE2 4.1Å; K177-F181 HydrophobicContact CG-CG 4.06Å; K177-F181 HydrophobicContact CG-CZ 4.4Å
178	G	83.9	Confident	82	Confident	12 Å²	12	69.2 Å²	69.2	12%	0.124	37%	0.369	C	S	.	.			trans	-84	175.6	171.1	0	0	0	0	0	111.6	D49 V50 S180 F181	D49-G178 CarbonylContact O-C 3.38Å; D49-G178 WeakPolarHBondContact O-CA 3.36Å; V50-G178 PolarHBondContact O-N 3.43Å; V50-G178 VanDerWaalsContact O-N 3.1Å; G178-S180 PolarHBondContact O-N 3.13Å; G178-F181 WeakPolarHBondContact O-CB 3.45Å; G178-F181 PolarHBondContact O-N 3.29Å
179	N	80.8	Confident	81.9	Confident	156 Å²	156	70 Å²	70	83%	0.834	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.4	-177.9	-62.1	-55.1	0	0	0	113.4	D49	D49-N179 PolarHBondContact O-N 2.94Å; D49-N179 WeakPolarHBondContact OD2-CB 3.33Å; D49-N179 VanDerWaalsContact OD2-CG 3.29Å; D49-N179 PolarHBondContact OD2-N 3.44Å; D49-N179 VanDerWaalsContact OD2-N 3.08Å; D49-N179 PolarHBondContact OD2-ND2 3.18Å
180	S	79.1	Confident	81.9	Confident	78 Å²	78	72.1 Å²	72.1	55%	0.545	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	27.8	178.9	-53.2	0	0	0	0	112.1	D49 G178 S182	D49-S180 WeakPolarHBondContact O-CA 3.46Å; D49-S180 WeakPolarHBondContact O-CB 3.08Å; D49-S180 PolarHBondContact O-N 2.64Å; G178-S180 PolarHBondContact O-N 3.13Å; S180-S182 PolarHBondContact O-N 3.11Å
181	F	82.4	Confident	82.1	Confident	49 Å²	49	77.5 Å²	77.5	22%	0.215	41%	0.406	C	S	.	.			trans	-59.8	125.3	-178.9	-176.3	-92.6	0	0	0	111.3	L11 I14 E15 V50 I51 K177 G178 T183	L11-F181 HydrophobicContact CD2-CD2 4.47Å; L11-F181 HydrophobicContact CD2-CE2 3.86Å; L11-F181 HydrophobicContact CD2-CZ 4.46Å; L11-F181 WeakPolarHBondContact O-CZ 3.48Å; I14-F181 HydrophobicContact CB-CE2 4.08Å; I14-F181 HydrophobicContact CB-CZ 4.25Å; I14-F181 HydrophobicContact CG2-CE2 3.67Å; I14-F181 HydrophobicContact CG2-CZ 4.13Å; E15-F181 HydrophobicContact CB-CE1 3.89Å; E15-F181 HydrophobicContact CB-CZ 3.99Å; E15-F181 HydrophobicContact CG-CE1 4.19Å; V50-F181 WeakPolarHBondContact O-CA 3.35Å; V50-F181 WeakPolarHBondContact O-CD2 3.45Å; I51-F181 HydrophobicContact CG2-CD2 4.21Å; I51-F181 HydrophobicContact CG2-CE2 4.34Å; K177-F181 HydrophobicContact CB-CB 4.14Å; K177-F181 HydrophobicContact CB-CD2 4.03Å; K177-F181 HydrophobicContact CB-CG 4.05Å; K177-F181 HydrophobicContact CD-CD1 4.45Å; K177-F181 HydrophobicContact CG-CD1 4.37Å; K177-F181 HydrophobicContact CG-CD2 3.91Å; K177-F181 HydrophobicContact CG-CE2 4.1Å; K177-F181 HydrophobicContact CG-CG 4.06Å; K177-F181 HydrophobicContact CG-CZ 4.4Å; G178-F181 WeakPolarHBondContact O-CB 3.45Å; G178-F181 PolarHBondContact O-N 3.29Å; F181-T183 HydrophobicContact CE1-CG2 4.4Å
182	S	80.3	Confident	82.2	Confident	47 Å²	47	75.6 Å²	75.6	33%	0.329	40%	0.402	S	S	.	.			trans	-142.9	144.9	176.1	173.9	0	0	0	0	108.7	S180 T184	S180-S182 PolarHBondContact O-N 3.11Å; S182-T184 VanDerWaalsContact C-N 3.31Å; S182-T184 PolarHBondContact OG-N 3.42Å; S182-T184 PolarHBondContact OG-O 3.31Å
183	T	78.6	Confident	82.2	Confident	40 Å²	40	77.2 Å²	77.2	25%	0.245	41%	0.411	C	S	.	.	S	Bend	trans	-80	-15.5	174.4	49.8	0	0	0	0	113	Q12 E15 F181	Q12-T183 HydrophobicContact CG-CG2 4.4Å; E15-T183 HydrophobicContact CB-CG2 4.22Å; E15-T183 HydrophobicContact CG-CG2 4.37Å; E15-T183 WeakPolarHBondContact OE2-CG2 3.21Å; F181-T183 HydrophobicContact CE1-CG2 4.4Å
184	T	69.6	Low	82.4	Confident	92 Å²	92	79.9 Å²	79.9	56%	0.564	43%	0.433	S	S	*	.	S	Bend	trans	-111.9	121.3	176.1	12.2	0	0	0	0	110.3	S182 T186	S182-T184 VanDerWaalsContact C-N 3.31Å; S182-T184 PolarHBondContact OG-N 3.42Å; S182-T184 PolarHBondContact OG-O 3.31Å; T184-T186 PolarHBondContact O-N 2.86Å
185	V	66.4	Low	82.4	Confident	55 Å²	55	82.6 Å²	82.6	33%	0.333	45%	0.449	S	S	.	.			trans	-87.6	105.1	178.2	179.6	0	0	0	0	108.9	V7 L11 L44 L47 K187	V7-V185 HydrophobicContact CG1-CG2 4.34Å; L11-V185 HydrophobicContact CD1-CG2 3.66Å; L44-V185 HydrophobicContact CD2-CG2 3.99Å; L47-V185 HydrophobicContact CD1-CG1 3.51Å; V185-K187 PolarHBondContact O-N 3.18Å
186	T	67	Low	82.4	Confident	126 Å²	126	83.3 Å²	83.3	77%	0.773	45%	0.452	S	S	*	.			trans	-77.2	107.6	172.5	-5.9	0	0	0	0	109.1	T184 Q188	T184-T186 PolarHBondContact O-N 2.86Å; T186-Q188 PolarHBondContact O-N 3.49Å
187	K	68.4	Low	82.5	Confident	186 Å²	186	86 Å²	86	81%	0.809	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-68.9	120.6	177.1	-165.2	175.8	-179	-177.6	0	109.4	V185	V185-K187 PolarHBondContact O-N 3.18Å
188	Q	77.8	Confident	82.8	Confident	88 Å²	88	86 Å²	86	41%	0.411	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-75.1	141	172.8	-67.1	179.3	-17.5	0	0	109.9	T186 K206 K208	T186-Q188 PolarHBondContact O-N 3.49Å; Q188-K206 VanDerWaalsContact CA-O 3.32Å; Q188-K206 WeakPolarHBondContact CA-O 3.28Å; Q188-K206 HydrophobicContact CG-CB 4.36Å; Q188-K208 HydrophobicContact CB-CB 4.32Å
189	E	81.6	Confident	83.2	Confident	62 Å²	62	89.3 Å²	89.3	29%	0.29	50%	0.502	S	S	.	.	B	Isolated β-bridge	trans	-71.4	147	173.7	-62	-66	-175.8	0	0	110.2	M196 K205 K206 F207 K208	E189-M196 HydrophobicContact CG-CE 4.02Å; E189-K205 HydrophobicContact CG-CB 4.25Å; E189-K205 HydrophobicContact CG-CD 3.61Å; E189-K205 IonicContact OE1-NZ 2.87Å; E189-K205 PolarHBondContact OE1-NZ 3.5Å; E189-K206 PolarHBondContact N-O 3.06Å; E189-F207 HydrophobicContact CB-CD1 3.7Å; E189-F207 HydrophobicContact CB-CE1 3.71Å; E189-F207 HydrophobicContact CB-CG 4.46Å; E189-F207 HydrophobicContact CB-CZ 4.48Å; E189-F207 CarbonylContact O-C 3.54Å; E189-F207 VanDerWaalsContact O-CA 3.28Å; E189-F207 WeakPolarHBondContact O-CA 3.32Å; E189-K208 PolarHBondContact O-N 2.88Å
190	T	84	Confident	83.7	Confident	108 Å²	108	83 Å²	83	66%	0.663	48%	0.475	S	S	*	.			trans	-97.6	-37.5	-176.6	45.8	0	0	0	0	112.5
191	E	87.7	Confident	84.2	Confident	147 Å²	147	81.1 Å²	81.1	69%	0.687	46%	0.461	S	S	*	.	S	Bend	trans	-135.1	154.3	-176.1	-65.7	-174.8	179.1	0	0	110.9
192	L	92	Very high	84.5	Confident	90 Å²	90	84.1 Å²	84.1	47%	0.471	47%	0.471	S	S	.	.			trans	-85.1	119.5	173.8	-170.2	72.1	0	0	0	108.9	M196 I197 W202 F207	L192-M196 HydrophobicContact CD1-CB 4.38Å; L192-I197 HydrophobicContact CD1-CG1 4.35Å; L192-I197 HydrophobicContact CD2-CD1 3.77Å; L192-I197 HydrophobicContact CD2-CG1 3.74Å; L192-I197 HydrophobicContact CG-CD1 4.09Å; L192-I197 HydrophobicContact CG-CG1 3.85Å; L192-W202 HydrophobicContact CD1-CB 3.4Å; L192-W202 VanDerWaalsContact CD1-CB 3.4Å; L192-W202 HydrophobicContact CD1-CG 3.96Å; L192-F207 HydrophobicContact CD1-CE1 4.26Å; L192-F207 HydrophobicContact CD1-CZ 3.8Å
193	T	92.3	Very high	84.9	Confident	45 Å²	45	89.4 Å²	89.4	28%	0.276	49%	0.488	S	S	.	.			trans	-96.1	155.4	178.7	83.9	0	0	0	0	111.9	E195 M196 I197	T193-E195 WeakPolarHBondContact CB-OE2 3.37Å; T193-E195 PolarHBondContact O-N 3.41Å; T193-E195 PolarHBondContact OG1-OE2 2.84Å; T193-M196 HydrophobicContact CG2-CE 4.02Å; T193-M196 HydrophobicContact CG2-SD 4.49Å; T193-M196 PolarHBondContact O-N 2.96Å; T193-M196 VanDerWaalsContact O-N 3.12Å; T193-M196 WeakPolarHBondContact OG1-CG 3.34Å; T193-M196 PolarHBondContact OG1-N 3.18Å; T193-I197 WeakPolarHBondContact O-CG1 3.45Å; T193-I197 PolarHBondContact O-N 3.31Å; T193-I197 VanDerWaalsContact O-N 3.16Å
194	P	94.8	Very high	85.2	Confident	94 Å²	94	96.1 Å²	96.1	61%	0.61	52%	0.517	S	S	*	.	H	α-helix	trans	-53.7	-36	174.9	-26.8	36	0	0	0	113.7	I197 A198	P194-I197 WeakPolarHBondContact O-CB 3.41Å; P194-I197 PolarHBondContact O-N 2.64Å; P194-A198 WeakPolarHBondContact O-CB 3.48Å; P194-A198 PolarHBondContact O-N 3.34Å
195	E	92.7	Very high	85.9	Confident	125 Å²	125	95.7 Å²	95.7	58%	0.584	51%	0.507	S	S	*	.	H	α-helix	trans	-70.7	-37.2	179.9	-56.4	69.8	-148.9	0	0	111.6	T193 I197 A198 S199	T193-E195 WeakPolarHBondContact CB-OE2 3.37Å; T193-E195 PolarHBondContact O-N 3.41Å; T193-E195 PolarHBondContact OG1-OE2 2.84Å; E195-I197 VanDerWaalsContact C-N 3.29Å; E195-I197 PolarHBondContact O-N 2.96Å; E195-A198 PolarHBondContact O-N 3.49Å; E195-S199 VanDerWaalsContact O-CB 3.32Å; E195-S199 WeakPolarHBondContact O-CB 3.3Å; E195-S199 PolarHBondContact O-N 3.37Å; E195-S199 PolarHBondContact O-OG 3.32Å
196	M	91.3	Very high	86.6	Confident	15 Å²	15	101 Å²	101	7%	0.074	53%	0.526	C	S	.	.	H	α-helix	trans	-63.2	-41.3	174.3	-66.8	-177.4	-167	0	0	110.6	E189 L192 T193 S199 G200 S201 W202 K205 F207	E189-M196 HydrophobicContact CG-CE 4.02Å; L192-M196 HydrophobicContact CD1-CB 4.38Å; T193-M196 HydrophobicContact CG2-CE 4.02Å; T193-M196 HydrophobicContact CG2-SD 4.49Å; T193-M196 PolarHBondContact O-N 2.96Å; T193-M196 VanDerWaalsContact O-N 3.12Å; T193-M196 WeakPolarHBondContact OG1-CG 3.34Å; T193-M196 PolarHBondContact OG1-N 3.18Å; M196-S199 PolarHBondContact O-OG 2.99Å; M196-G200 PolarHBondContact O-N 3.24Å; M196-S201 WeakPolarHBondContact CA-OG 3.46Å; M196-S201 PolarHBondContact O-N 3.18Å; M196-W202 HydrophobicContact CB-CB 4.21Å; M196-K205 HydrophobicContact CE-CD 4.4Å; M196-K205 HydrophobicContact SD-CD 4.38Å; M196-F207 HydrophobicContact SD-CE1 4.32Å; M196-F207 HydrophobicContact SD-CZ 4.21Å
197	I	93.3	Very high	87.3	Confident	99 Å²	99	98.2 Å²	98.2	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-49.2	175.6	-62.1	169.9	0	0	0	110.3	L192 T193 P194 E195 S199 G200	L192-I197 HydrophobicContact CD1-CG1 4.35Å; L192-I197 HydrophobicContact CD2-CD1 3.77Å; L192-I197 HydrophobicContact CD2-CG1 3.74Å; L192-I197 HydrophobicContact CG-CD1 4.09Å; L192-I197 HydrophobicContact CG-CG1 3.85Å; T193-I197 WeakPolarHBondContact O-CG1 3.45Å; T193-I197 PolarHBondContact O-N 3.31Å; T193-I197 VanDerWaalsContact O-N 3.16Å; P194-I197 WeakPolarHBondContact O-CB 3.41Å; P194-I197 PolarHBondContact O-N 2.64Å; E195-I197 VanDerWaalsContact C-N 3.29Å; E195-I197 PolarHBondContact O-N 2.96Å; I197-S199 PolarHBondContact O-N 3.46Å; I197-G200 PolarHBondContact O-N 3.41Å
198	A	94.4	Very high	88	Confident	91 Å²	91	96 Å²	96	75%	0.752	49%	0.494	S	S	*	.	H	α-helix	trans	-64.2	-38.8	-178.6	0	0	0	0	0	113.2	P194 E195	P194-A198 WeakPolarHBondContact O-CB 3.48Å; P194-A198 PolarHBondContact O-N 3.34Å; E195-A198 PolarHBondContact O-N 3.49Å
199	S	93.7	Very high	88.2	Confident	82 Å²	82	97 Å²	97	57%	0.573	51%	0.507	S	S	*	.	H	α-helix	trans	-84.2	-16	-179.6	58.6	0	0	0	0	114.3	E195 M196 I197 S201	E195-S199 VanDerWaalsContact O-CB 3.32Å; E195-S199 WeakPolarHBondContact O-CB 3.3Å; E195-S199 PolarHBondContact O-N 3.37Å; E195-S199 PolarHBondContact O-OG 3.32Å; M196-S199 PolarHBondContact O-OG 2.99Å; I197-S199 PolarHBondContact O-N 3.46Å; S199-S201 PolarHBondContact O-N 3.41Å; S199-S201 PolarHBondContact OG-N 2.84Å; S199-S201 PolarHBondContact OG-OG 2.97Å
200	G	90.9	Very high	88.3	Confident	25 Å²	25	101.9 Å²	101.9	26%	0.258	52%	0.524	S	S	.	.			trans	74.1	2.3	-172	0	0	0	0	0	114.7	M196 I197 W202 K203	M196-G200 PolarHBondContact O-N 3.24Å; I197-G200 PolarHBondContact O-N 3.41Å; G200-W202 PolarHBondContact O-N 3.48Å; G200-W202 VanDerWaalsContact O-N 3.15Å; G200-K203 PolarHBondContact O-N 2.94Å
201	S	89.8	Confident	88.5	Confident	37 Å²	37	101 Å²	101	26%	0.259	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20	-176.9	57.4	0	0	0	0	114	M196 S199 K203 E204 K205	M196-S201 WeakPolarHBondContact CA-OG 3.46Å; M196-S201 PolarHBondContact O-N 3.18Å; S199-S201 PolarHBondContact O-N 3.41Å; S199-S201 PolarHBondContact OG-N 2.84Å; S199-S201 PolarHBondContact OG-OG 2.97Å; S201-K203 PolarHBondContact O-N 2.77Å; S201-E204 PolarHBondContact O-N 3.01Å; S201-K205 WeakPolarHBondContact O-CG 3.37Å; S201-K205 PolarHBondContact O-N 3.14Å
202	W	89	Confident	88.5	Confident	113 Å²	113	102.6 Å²	102.6	43%	0.428	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-60.4	-23.4	174.9	69.2	-91.3	0	0	0	113.7	L192 M196 G200 E204 F207	L192-W202 HydrophobicContact CD1-CB 3.4Å; L192-W202 VanDerWaalsContact CD1-CB 3.4Å; L192-W202 HydrophobicContact CD1-CG 3.96Å; M196-W202 HydrophobicContact CB-CB 4.21Å; G200-W202 PolarHBondContact O-N 3.48Å; G200-W202 VanDerWaalsContact O-N 3.15Å; W202-E204 VanDerWaalsContact C-N 3.26Å; W202-E204 PolarHBondContact O-N 2.85Å; W202-F207 HydrophobicContact CB-CE2 4.24Å; W202-F207 HydrophobicContact CB-CZ 4.04Å
203	K	88.4	Confident	88.5	Confident	157 Å²	157	107.3 Å²	107.3	68%	0.683	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-68.4	-26.7	179.7	-65.6	179.8	-179.4	177.7	0	113.1	G200 S201	G200-K203 PolarHBondContact O-N 2.94Å; S201-K203 PolarHBondContact O-N 2.77Å
204	E	85.2	Confident	88.4	Confident	182 Å²	182	107.7 Å²	107.7	85%	0.85	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-16	-174.2	-61.7	-178	178.5	0	0	112.5	S201 W202	S201-E204 PolarHBondContact O-N 3.01Å; W202-E204 VanDerWaalsContact C-N 3.26Å; W202-E204 PolarHBondContact O-N 2.85Å
205	K	83.2	Confident	88.2	Confident	83 Å²	83	112 Å²	112	36%	0.361	56%	0.562	S	S	.	*	S	Bend	trans	-84.1	145.3	178.8	-68.1	-167.5	178.3	-166.6	0	112	E189 M196 S201 F207	E189-K205 HydrophobicContact CG-CB 4.25Å; E189-K205 HydrophobicContact CG-CD 3.61Å; E189-K205 IonicContact OE1-NZ 2.87Å; E189-K205 PolarHBondContact OE1-NZ 3.5Å; M196-K205 HydrophobicContact CE-CD 4.4Å; M196-K205 HydrophobicContact SD-CD 4.38Å; S201-K205 WeakPolarHBondContact O-CG 3.37Å; S201-K205 PolarHBondContact O-N 3.14Å; K205-F207 HydrophobicContact CB-CE2 4.34Å
206	K	80.8	Confident	88.2	Confident	167 Å²	167	108.7 Å²	108.7	73%	0.726	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-92.7	126.3	171.9	-68.7	-173.7	179.2	-179.8	0	109.9	Q188 E189	Q188-K206 VanDerWaalsContact CA-O 3.32Å; Q188-K206 WeakPolarHBondContact CA-O 3.28Å; Q188-K206 HydrophobicContact CG-CB 4.36Å; E189-K206 PolarHBondContact N-O 3.06Å
207	F	82.2	Confident	88.3	Confident	67 Å²	67	114.9 Å²	114.9	29%	0.294	60%	0.6	S	S	.	*	B	Isolated β-bridge	trans	-97.3	146.9	177.3	-66.5	-92	0	0	0	111.1	E189 L192 M196 W202 K205	E189-F207 HydrophobicContact CB-CD1 3.7Å; E189-F207 HydrophobicContact CB-CE1 3.71Å; E189-F207 HydrophobicContact CB-CG 4.46Å; E189-F207 HydrophobicContact CB-CZ 4.48Å; E189-F207 CarbonylContact O-C 3.54Å; E189-F207 VanDerWaalsContact O-CA 3.28Å; E189-F207 WeakPolarHBondContact O-CA 3.32Å; L192-F207 HydrophobicContact CD1-CE1 4.26Å; L192-F207 HydrophobicContact CD1-CZ 3.8Å; M196-F207 HydrophobicContact SD-CE1 4.32Å; M196-F207 HydrophobicContact SD-CZ 4.21Å; W202-F207 HydrophobicContact CB-CE2 4.24Å; W202-F207 HydrophobicContact CB-CZ 4.04Å; K205-F207 HydrophobicContact CB-CE2 4.34Å
208	K	83.3	Confident	88.2	Confident	140 Å²	140	114 Å²	114	61%	0.609	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-65.3	129.2	170.3	-173.3	179.2	178.3	-179.5	0	108.6	Q188 E189 Y210	Q188-K208 HydrophobicContact CB-CB 4.32Å; E189-K208 PolarHBondContact O-N 2.88Å; K208-Y210 PolarHBondContact O-N 3.09Å
209	P	81.2	Confident	88.2	Confident	107 Å²	107	115 Å²	115	70%	0.695	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-61.6	134.9	177.2	24.9	-33	0	0	0	110.2
210	Y	84.4	Confident	88.2	Confident	165 Å²	165	119.4 Å²	119.4	65%	0.647	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-71.8	134.7	176.5	-167.1	-94.2	0	0	0	109.9	K208 F212	K208-Y210 PolarHBondContact O-N 3.09Å; Y210-F212 AromaticContact CD1-CD1 3.95Å; Y210-F212 HydrophobicContact CD1-CD1 3.95Å; Y210-F212 AromaticContact CD1-CE1 3.96Å; Y210-F212 HydrophobicContact CD1-CE1 3.96Å; Y210-F212 HydrophobicContact CD1-CG 4.25Å; Y210-F212 HydrophobicContact CD1-CZ 4.27Å; Y210-F212 HydrophobicContact CE1-CD1 4.49Å; Y210-F212 WeakPolarHBondContact O-CD2 3.4Å; Y210-F212 PolarHBondContact O-N 2.71Å
211	N	87.3	Confident	88.4	Confident	91 Å²	91	122.1 Å²	122.1	49%	0.487	64%	0.637	S	S	.	*			trans	-81.8	96	176.5	-177.1	8	0	0	0	110.2	E213 A214	N211-E213 PolarHBondContact O-N 3.47Å; N211-E213 WeakPolarHBondContact OD1-CB 3.34Å; N211-E213 PolarHBondContact OD1-N 2.73Å; N211-A214 HydrophobicContact CB-CB 4.49Å; N211-A214 PolarHBondContact O-N 3.38Å
212	F	89.2	Confident	88.6	Confident	180 Å²	180	124.1 Å²	124.1	79%	0.789	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-8.9	176.8	-67.4	-76.3	0	0	0	114.2	Y210	Y210-F212 AromaticContact CD1-CD1 3.95Å; Y210-F212 HydrophobicContact CD1-CD1 3.95Å; Y210-F212 AromaticContact CD1-CE1 3.96Å; Y210-F212 HydrophobicContact CD1-CE1 3.96Å; Y210-F212 HydrophobicContact CD1-CG 4.25Å; Y210-F212 HydrophobicContact CD1-CZ 4.27Å; Y210-F212 HydrophobicContact CE1-CD1 4.49Å; Y210-F212 WeakPolarHBondContact O-CD2 3.4Å; Y210-F212 PolarHBondContact O-N 2.71Å
213	E	90.8	Very high	88.9	Confident	188 Å²	188	122.4 Å²	122.4	88%	0.879	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-14.2	176	-55.9	-178.8	166.6	0	0	112.4	N211	N211-E213 PolarHBondContact O-N 3.47Å; N211-E213 WeakPolarHBondContact OD1-CB 3.34Å; N211-E213 PolarHBondContact OD1-N 2.73Å
214	A	90.9	Very high	89.2	Confident	54 Å²	54	120.7 Å²	120.7	45%	0.446	66%	0.658	S	S	.	*	S	Bend	trans	-83.4	143.6	176.9	0	0	0	0	0	111.4	N211 G216	N211-A214 HydrophobicContact CB-CB 4.49Å; N211-A214 PolarHBondContact O-N 3.38Å; A214-G216 PolarHBondContact O-N 3.19Å
215	M	91.2	Very high	89.6	Confident	185 Å²	185	114.7 Å²	114.7	91%	0.911	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-64.3	135.9	169	-68.4	-64.9	-72.4	0	0	109.8
216	G	92.2	Very high	90.1	Very high	54 Å²	54	110.8 Å²	110.8	56%	0.557	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-65.7	165.9	172.3	0	0	0	0	0	112.1	A214 A218	A214-G216 PolarHBondContact O-N 3.19Å; G216-A218 PolarHBondContact O-N 3.32Å
217	V	92.5	Very high	90.8	Very high	146 Å²	146	103 Å²	103	89%	0.885	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-72.7	121.6	173.4	-177.3	0	0	0	0	108.6
218	A	91.7	Very high	91.4	Very high	81 Å²	81	102 Å²	102	67%	0.669	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-66	131.4	173.7	0	0	0	0	0	109.5	G216	G216-A218 PolarHBondContact O-N 3.32Å
219	P	94.2	Very high	91.9	Very high	110 Å²	110	97 Å²	97	71%	0.714	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-70.5	145.5	177.9	29.4	-34.3	0	0	0	110.9	C221	P219-C221 PolarHBondContact O-N 3.35Å
220	D	94.2	Very high	92.4	Very high	176 Å²	176	92.1 Å²	92.1	94%	0.941	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-63.8	125.4	169.2	-66.1	-38.5	0	0	0	109.7
221	C	93.9	Very high	93	Very high	81 Å²	81	88.8 Å²	88.8	55%	0.547	51%	0.509	S	S	.	.			trans	-142.6	164.8	178.8	63.3	0	0	0	0	112	P219 H223	P219-C221 PolarHBondContact O-N 3.35Å; C221-H223 PolarHBondContact O-CD2 3.3Å; C221-H223 PolarHBondContact O-NE2 3.32Å; C221-H223 PolarHBondContact SG-CE1 3.38Å
222	G	95.1	Very high	93.3	Very high	80 Å²	80	88.5 Å²	88.5	83%	0.825	51%	0.51	S	S	*	.			trans	-74.5	141.1	173.4	0	0	0	0	0	111.4
223	H	94.2	Very high	93.5	Very high	77 Å²	77	81.9 Å²	81.9	36%	0.356	48%	0.482	S	S	.	.			trans	-118.6	140.6	-179.5	-57.2	-81.3	0	0	0	111.8	C221 V487 Y488	C221-H223 PolarHBondContact O-CD2 3.3Å; C221-H223 PolarHBondContact O-NE2 3.32Å; C221-H223 PolarHBondContact SG-CE1 3.38Å; H223-V487 HydrophobicContact CB-CG1 4.1Å; H223-Y488 HydrophobicContact CB-CD1 4.08Å; H223-Y488 AromaticContact CD2-CD1 3.25Å; H223-Y488 WeakPolarHBondContact CD2-CD1 3.41Å; H223-Y488 AromaticContact CD2-CE1 3.71Å; H223-Y488 AromaticContact CD2-CG 3.89Å; H223-Y488 AromaticContact CG-CD1 3.61Å; H223-Y488 AromaticContact NE2-CD1 3.7Å; H223-Y488 AromaticContact NE2-CG 3.83Å
224	L	94.9	Very high	93.7	Very high	121 Å²	121	73.1 Å²	73.1	63%	0.634	44%	0.441	S	S	*	.			trans	-99.6	139.9	171.1	-68.3	173.2	0	0	0	110	K229	L224-K229 HydrophobicContact CB-CD 4.5Å; L224-K229 HydrophobicContact CB-CG 3.89Å; L224-K229 WeakPolarHBondContact O-CE 3.46Å
225	H	95.3	Very high	93.9	Very high	55 Å²	55	75.4 Å²	75.4	26%	0.255	44%	0.438	S	S	.	.			trans	-60.5	135	177.1	-170.2	-78.2	0	0	0	111.5	L227 M228 K229 L477	H225-L227 VanDerWaalsContact ND1-CB 3.34Å; H225-L227 WeakPolarHBondContact ND1-CB 3.44Å; H225-L227 PolarHBondContact ND1-N 2.85Å; H225-L227 VanDerWaalsContact ND1-N 3.13Å; H225-L227 PolarHBondContact O-N 2.82Å; H225-M228 HydrophobicContact CB-CB 4.22Å; H225-M228 HydrophobicContact CB-CG 3.97Å; H225-M228 WeakPolarHBondContact O-CA 3.33Å; H225-M228 WeakPolarHBondContact O-CB 3.38Å; H225-M228 PolarHBondContact O-N 3.37Å; H225-K229 PolarHBondContact O-N 2.83Å; H225-L477 PolarHBondContact CE1-O 3.34Å; H225-L477 PolarHBondContact NE2-O 2.98Å
226	P	93.6	Very high	94.2	Very high	1 Å²	1	71 Å²	71	1%	0.006	42%	0.415	C	S	.	.	H	α-helix	trans	-51.5	-49.8	-178.3	-27.5	33	0	0	0	113.7	M228 K229 V230 Y469 L477 M486	P226-M228 PolarHBondContact O-N 2.92Å; P226-K229 WeakPolarHBondContact O-CB 3.26Å; P226-K229 PolarHBondContact O-N 2.87Å; P226-V230 WeakPolarHBondContact O-CG2 3.37Å; P226-V230 PolarHBondContact O-N 2.8Å; P226-Y469 HydrophobicContact CB-CD2 4.18Å; P226-Y469 HydrophobicContact CB-CE2 3.98Å; P226-L477 HydrophobicContact CB-CD1 4.16Å; P226-M486 HydrophobicContact CG-CE 4.46Å
227	L	94.3	Very high	94.3	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-55.3	-38.7	176.3	-167.9	73.7	0	0	0	112.8	H225 V230 R231 L461 E462 T465 L477 V478	H225-L227 VanDerWaalsContact ND1-CB 3.34Å; H225-L227 WeakPolarHBondContact ND1-CB 3.44Å; H225-L227 PolarHBondContact ND1-N 2.85Å; H225-L227 VanDerWaalsContact ND1-N 3.13Å; H225-L227 PolarHBondContact O-N 2.82Å; L227-V230 PolarHBondContact O-N 3.4Å; L227-R231 WeakPolarHBondContact O-CB 3.44Å; L227-R231 PolarHBondContact O-N 3.48Å; L227-L461 HydrophobicContact CD1-CB 4.38Å; L227-L461 HydrophobicContact CD1-CD2 3.83Å; L227-L461 HydrophobicContact CD1-CG 3.7Å; L227-L461 HydrophobicContact CD2-CD2 4.38Å; L227-L461 HydrophobicContact CG-CD2 3.74Å; L227-L461 HydrophobicContact CG-CG 4.19Å; L227-E462 HydrophobicContact CD1-CB 4.48Å; L227-E462 HydrophobicContact CD1-CG 3.96Å; L227-E462 HydrophobicContact CD2-CG 4.5Å; L227-T465 HydrophobicContact CD1-CG2 4.13Å; L227-L477 HydrophobicContact CB-CD1 4.29Å; L227-L477 HydrophobicContact CD1-CD2 4.06Å; L227-V478 HydrophobicContact CD2-CG2 3.87Å
228	M	94.3	Very high	94.6	Very high	46 Å²	46	61.9 Å²	61.9	23%	0.227	35%	0.348	C	S	.	.	H	α-helix	trans	-74.3	-33.1	179.4	-63	-61.7	110.9	0	0	111.9	H225 P226 V230 R231 T232	H225-M228 HydrophobicContact CB-CB 4.22Å; H225-M228 HydrophobicContact CB-CG 3.97Å; H225-M228 WeakPolarHBondContact O-CA 3.33Å; H225-M228 WeakPolarHBondContact O-CB 3.38Å; H225-M228 PolarHBondContact O-N 3.37Å; P226-M228 PolarHBondContact O-N 2.92Å; M228-V230 VanDerWaalsContact C-N 3.33Å; M228-R231 WeakPolarHBondContact O-CB 3.29Å; M228-R231 PolarHBondContact O-N 3.3Å; M228-R231 PolarHBondContact SD-NH1 3.39Å; M228-T232 PolarHBondContact O-N 3.23Å; M228-T232 PolarHBondContact O-OG1 2.72Å; M228-T232 VanDerWaalsContact O-OG1 3.05Å
229	K	93.9	Very high	94.9	Very high	36 Å²	36	61.3 Å²	61.3	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-45.1	170.9	-62.8	172.8	174.5	166.6	0	110.5	L224 H225 P226 T232 Q233 S490 P491 C493	L224-K229 HydrophobicContact CB-CD 4.5Å; L224-K229 HydrophobicContact CB-CG 3.89Å; L224-K229 WeakPolarHBondContact O-CE 3.46Å; H225-K229 PolarHBondContact O-N 2.83Å; P226-K229 WeakPolarHBondContact O-CB 3.26Å; P226-K229 PolarHBondContact O-N 2.87Å; K229-T232 PolarHBondContact O-N 3.35Å; K229-Q233 PolarHBondContact O-N 3.4Å; K229-S490 PolarHBondContact NZ-O 3.1Å; K229-S490 PolarHBondContact NZ-OG 3.14Å; K229-P491 PolarHBondContact NZ-O 3.11Å; K229-C493 HydrophobicContact CB-CB 3.63Å
230	V	93.4	Very high	95.1	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-43	176.6	-175.5	0	0	0	0	111.2	P226 L227 M228 T232 Q233 F234 L461 T465 K468 Y469	P226-V230 WeakPolarHBondContact O-CG2 3.37Å; P226-V230 PolarHBondContact O-N 2.8Å; L227-V230 PolarHBondContact O-N 3.4Å; M228-V230 VanDerWaalsContact C-N 3.33Å; V230-T232 VanDerWaalsContact C-N 3.32Å; V230-T232 PolarHBondContact O-N 2.93Å; V230-Q233 WeakPolarHBondContact O-CB 3.25Å; V230-Q233 PolarHBondContact O-N 3.49Å; V230-F234 HydrophobicContact CG1-CD2 3.61Å; V230-F234 HydrophobicContact CG1-CE2 3.47Å; V230-F234 VanDerWaalsContact CG1-CE2 3.47Å; V230-F234 WeakPolarHBondContact O-CD2 3.33Å; V230-F234 PolarHBondContact O-N 3.38Å; V230-L461 HydrophobicContact CB-CD1 4.25Å; V230-L461 HydrophobicContact CG1-CD1 3.82Å; V230-T465 WeakPolarHBondContact CB-OG1 3.43Å; V230-T465 WeakPolarHBondContact CG1-OG1 3.13Å; V230-T465 HydrophobicContact CG2-CG2 3.82Å; V230-T465 WeakPolarHBondContact CG2-OG1 3.38Å; V230-K468 HydrophobicContact CG2-CD 4.41Å; V230-Y469 HydrophobicContact CG2-CD2 4.42Å; V230-Y469 HydrophobicContact CG2-CE2 3.74Å
231	R	95.3	Very high	95.2	Very high	96 Å²	96	54.2 Å²	54.2	36%	0.362	29%	0.286	S	S	.	.	H	α-helix	trans	-53.5	-48.6	175.1	-171.5	-176.9	66.2	177.3	-0.8	112.1	L227 M228 Q233 F234 R235 I353 L461	L227-R231 WeakPolarHBondContact O-CB 3.44Å; L227-R231 PolarHBondContact O-N 3.48Å; M228-R231 WeakPolarHBondContact O-CB 3.29Å; M228-R231 PolarHBondContact O-N 3.3Å; M228-R231 PolarHBondContact SD-NH1 3.39Å; R231-Q233 PolarHBondContact O-N 3.48Å; R231-F234 PolarHBondContact O-N 2.72Å; R231-R235 WeakPolarHBondContact O-CB 3.09Å; R231-R235 PolarHBondContact O-N 3.37Å; R231-I353 HydrophobicContact CG-CB 4.36Å; R231-I353 HydrophobicContact CG-CD1 4.35Å; R231-I353 HydrophobicContact CG-CG2 3.83Å; R231-L461 HydrophobicContact CB-CD1 4.41Å; R231-L461 HydrophobicContact CB-CD2 3.79Å; R231-L461 HydrophobicContact CG-CD2 4.18Å
232	T	94.7	Very high	95.4	Very high	84 Å²	84	52.7 Å²	52.7	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-58.6	-37.6	178.9	-62.1	0	0	0	0	111.5	M228 K229 V230 Q236	M228-T232 PolarHBondContact O-N 3.23Å; M228-T232 PolarHBondContact O-OG1 2.72Å; M228-T232 VanDerWaalsContact O-OG1 3.05Å; K229-T232 PolarHBondContact O-N 3.35Å; V230-T232 VanDerWaalsContact C-N 3.32Å; V230-T232 PolarHBondContact O-N 2.93Å; T232-Q236 WeakPolarHBondContact O-CB 3.49Å; T232-Q236 PolarHBondContact O-N 3.08Å
233	Q	92.3	Very high	95.6	Very high	41 Å²	41	49.2 Å²	49.2	19%	0.192	25%	0.246	C	C	.	.	H	α-helix	trans	-70.6	-45.7	178	-176.5	166.4	50	0	0	113	K229 V230 R231 R235 Q236 I237 C493 L495	K229-Q233 PolarHBondContact O-N 3.4Å; V230-Q233 WeakPolarHBondContact O-CB 3.25Å; V230-Q233 PolarHBondContact O-N 3.49Å; R231-Q233 PolarHBondContact O-N 3.48Å; Q233-R235 VanDerWaalsContact C-N 3.28Å; Q233-R235 PolarHBondContact O-N 2.8Å; Q233-Q236 WeakPolarHBondContact O-CB 3.4Å; Q233-Q236 PolarHBondContact O-N 3.42Å; Q233-Q236 VanDerWaalsContact O-N 3.15Å; Q233-I237 WeakPolarHBondContact O-CG1 3.22Å; Q233-I237 PolarHBondContact O-N 3.43Å; Q233-C493 PolarHBondContact OE1-SG 2.95Å; Q233-L495 HydrophobicContact CG-CD1 3.57Å; Q233-L495 HydrophobicContact CG-CG 4.37Å; Q233-L495 VanDerWaalsContact NE2-CG 3.33Å; Q233-L495 VanDerWaalsContact OE1-CG 3.25Å
234	F	95	Very high	95.8	Very high	4 Å²	4	49 Å²	49	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-44.5	173.4	-86.9	-82.2	0	0	0	111.4	V230 R231 Q236 I237 F238 I353 I373 F394 L398 L459 L461 P464	V230-F234 HydrophobicContact CG1-CD2 3.61Å; V230-F234 HydrophobicContact CG1-CE2 3.47Å; V230-F234 VanDerWaalsContact CG1-CE2 3.47Å; V230-F234 WeakPolarHBondContact O-CD2 3.33Å; V230-F234 PolarHBondContact O-N 3.38Å; R231-F234 PolarHBondContact O-N 2.72Å; F234-Q236 VanDerWaalsContact C-N 3.29Å; F234-Q236 PolarHBondContact O-N 3.39Å; F234-I237 PolarHBondContact O-N 3.09Å; F234-F238 VanDerWaalsContact O-CD2 3.22Å; F234-F238 WeakPolarHBondContact O-CD2 3.38Å; F234-F238 PolarHBondContact O-N 2.94Å; F234-F238 VanDerWaalsContact O-N 3.11Å; F234-I353 HydrophobicContact CB-CD1 3.65Å; F234-I373 HydrophobicContact CB-CD1 4.3Å; F234-I373 HydrophobicContact CD1-CD1 3.64Å; F234-I373 HydrophobicContact CD2-CD1 3.87Å; F234-I373 HydrophobicContact CE1-CD1 3.77Å; F234-I373 HydrophobicContact CE2-CD1 4.03Å; F234-I373 HydrophobicContact CG-CD1 3.68Å; F234-I373 HydrophobicContact CZ-CD1 3.98Å; F234-F394 HydrophobicContact CD1-CE1 4.47Å; F234-F394 HydrophobicContact CD1-CE2 4.37Å; F234-F394 AromaticContact CD1-CZ 3.66Å; F234-F394 HydrophobicContact CD1-CZ 3.66Å; F234-F394 HydrophobicContact CE1-CE1 4.09Å; F234-F394 AromaticContact CE1-CZ 3.72Å; F234-F394 HydrophobicContact CE1-CZ 3.72Å; F234-L398 HydrophobicContact CD1-CD1 4.42Å; F234-L398 HydrophobicContact CD1-CD2 4.16Å; F234-L398 HydrophobicContact CE1-CD1 3.53Å; F234-L398 HydrophobicContact CE1-CD2 3.73Å; F234-L398 HydrophobicContact CE1-CG 4.28Å; F234-L398 HydrophobicContact CE2-CD2 4.37Å; F234-L398 HydrophobicContact CZ-CD1 3.97Å; F234-L398 HydrophobicContact CZ-CD2 3.83Å; F234-L459 HydrophobicContact CE1-CD1 3.86Å; F234-L459 HydrophobicContact CZ-CD1 3.91Å; F234-L461 HydrophobicContact CD2-CD1 3.6Å; F234-L461 HydrophobicContact CE2-CD1 3.93Å; F234-L461 HydrophobicContact CG-CD1 4.46Å; F234-P464 HydrophobicContact CE2-CB 4.2Å; F234-P464 HydrophobicContact CE2-CG 4.49Å; F234-P464 HydrophobicContact CZ-CB 4.07Å; F234-P464 HydrophobicContact CZ-CG 4.06Å
235	R	96.8	Very high	96	Very high	103 Å²	103	47.4 Å²	47.4	39%	0.389	24%	0.242	S	C	.	.	H	α-helix	trans	-56.2	-45.2	175.3	-175.6	174.9	178.3	-98.6	-5	111.4	R231 Q233 I237 F238 L239 E245 F351 I353	R231-R235 WeakPolarHBondContact O-CB 3.09Å; R231-R235 PolarHBondContact O-N 3.37Å; Q233-R235 VanDerWaalsContact C-N 3.28Å; Q233-R235 PolarHBondContact O-N 2.8Å; R235-I237 PolarHBondContact O-N 3Å; R235-F238 PolarHBondContact O-N 2.96Å; R235-L239 HydrophobicContact CG-CD1 4.37Å; R235-L239 VanDerWaalsContact O-CG 3.31Å; R235-L239 WeakPolarHBondContact O-CG 3.47Å; R235-L239 PolarHBondContact O-N 3.36Å; R235-L239 VanDerWaalsContact O-N 3.13Å; R235-E245 WeakPolarHBondContact CD-OE1 3.42Å; R235-E245 IonicContact CZ-OE2 2.83Å; R235-E245 VanDerWaalsContact CZ-OE2 3.3Å; R235-E245 VanDerWaalsContact NE-CD 3.34Å; R235-E245 IonicContact NE-OE1 3.35Å; R235-E245 PolarHBondContact NE-OE1 3.08Å; R235-E245 VanDerWaalsContact NE-OE1 3.09Å; R235-E245 IonicContact NE-OE2 2.74Å; R235-E245 PolarHBondContact NE-OE2 3.14Å; R235-E245 IonicContact NH2-OE2 3.09Å; R235-E245 PolarHBondContact NH2-OE2 3.26Å; R235-F351 HydrophobicContact CB-CE2 4.34Å; R235-F351 HydrophobicContact CG-CE2 3.93Å; R235-F351 HydrophobicContact CG-CZ 3.87Å; R235-I353 HydrophobicContact CB-CD1 4.09Å
236	Q	95.9	Very high	96.1	Very high	92 Å²	92	45.1 Å²	45.1	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-41.6	177.4	-173.6	59.6	29.9	0	0	112.6	T232 Q233 F234 F238 L239 E240	T232-Q236 WeakPolarHBondContact O-CB 3.49Å; T232-Q236 PolarHBondContact O-N 3.08Å; Q233-Q236 WeakPolarHBondContact O-CB 3.4Å; Q233-Q236 PolarHBondContact O-N 3.42Å; Q233-Q236 VanDerWaalsContact O-N 3.15Å; F234-Q236 VanDerWaalsContact C-N 3.29Å; F234-Q236 PolarHBondContact O-N 3.39Å; Q236-F238 VanDerWaalsContact C-N 3.34Å; Q236-F238 PolarHBondContact O-N 2.93Å; Q236-L239 PolarHBondContact O-N 3Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.38Å; Q236-E240 PolarHBondContact NE2-OE1 3Å; Q236-E240 WeakPolarHBondContact O-CG 3.48Å; Q236-E240 PolarHBondContact O-N 3.39Å
237	I	95.8	Very high	96.2	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-44.9	177.2	-71.6	170.9	0	0	0	111.3	Q233 F234 R235 E240 M241 F394 K397 L398 L495	Q233-I237 WeakPolarHBondContact O-CG1 3.22Å; Q233-I237 PolarHBondContact O-N 3.43Å; F234-I237 PolarHBondContact O-N 3.09Å; R235-I237 PolarHBondContact O-N 3Å; I237-E240 PolarHBondContact O-N 3.18Å; I237-M241 HydrophobicContact CG2-SD 3.9Å; I237-M241 WeakPolarHBondContact O-CB 3.5Å; I237-M241 VanDerWaalsContact O-CG 3.27Å; I237-M241 WeakPolarHBondContact O-CG 3.34Å; I237-M241 PolarHBondContact O-N 3.33Å; I237-F394 HydrophobicContact CG2-CD2 3.83Å; I237-F394 HydrophobicContact CG2-CE2 4.01Å; I237-K397 HydrophobicContact CD1-CB 4.11Å; I237-K397 HydrophobicContact CG1-CB 4.1Å; I237-K397 HydrophobicContact CG2-CB 3.96Å; I237-K397 HydrophobicContact CG2-CD 3.95Å; I237-L398 HydrophobicContact CD1-CD2 3.34Å; I237-L398 HydrophobicContact CD1-CG 3.86Å; I237-L495 HydrophobicContact CD1-CD1 3.93Å
238	F	98.2	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-45.8	176	-81.9	-68.9	0	0	0	112.3	F234 R235 Q236 E240 M241 G242 F243 F351 I373 F394 W457	F234-F238 VanDerWaalsContact O-CD2 3.22Å; F234-F238 WeakPolarHBondContact O-CD2 3.38Å; F234-F238 PolarHBondContact O-N 2.94Å; F234-F238 VanDerWaalsContact O-N 3.11Å; R235-F238 PolarHBondContact O-N 2.96Å; Q236-F238 VanDerWaalsContact C-N 3.34Å; Q236-F238 PolarHBondContact O-N 2.93Å; F238-E240 VanDerWaalsContact C-N 3.34Å; F238-E240 PolarHBondContact O-N 3.15Å; F238-M241 CarbonylContact O-C 3.57Å; F238-M241 PolarHBondContact O-N 2.95Å; F238-M241 VanDerWaalsContact O-N 3.09Å; F238-G242 PolarHBondContact O-N 3.14Å; F238-F243 HydrophobicContact CB-CB 4.01Å; F238-F243 HydrophobicContact CD1-CB 4Å; F238-F243 AromaticContact CD1-CD1 3.93Å; F238-F243 HydrophobicContact CD1-CD1 3.93Å; F238-F243 HydrophobicContact CD1-CD2 4.19Å; F238-F243 AromaticContact CD1-CG 3.77Å; F238-F243 HydrophobicContact CD1-CG 3.77Å; F238-F243 HydrophobicContact CE1-CD1 4.32Å; F238-F243 HydrophobicContact CG-CB 4.47Å; F238-F243 WeakPolarHBondContact O-CB 3.44Å; F238-F243 PolarHBondContact O-N 3.33Å; F238-F351 HydrophobicContact CB-CB 4.11Å; F238-F351 HydrophobicContact CB-CD1 3.57Å; F238-F351 HydrophobicContact CB-CD2 3.7Å; F238-F351 HydrophobicContact CB-CE1 3.75Å; F238-F351 HydrophobicContact CB-CE2 3.93Å; F238-F351 HydrophobicContact CB-CG 3.5Å; F238-F351 VanDerWaalsContact CB-CG 3.5Å; F238-F351 HydrophobicContact CB-CZ 3.94Å; F238-F351 HydrophobicContact CD1-CB 3.38Å; F238-F351 HydrophobicContact CD1-CD1 4.38Å; F238-F351 HydrophobicContact CD1-CD2 4.31Å; F238-F351 AromaticContact CD1-CG 3.79Å; F238-F351 HydrophobicContact CD1-CG 3.79Å; F238-F351 HydrophobicContact CD2-CB 3.95Å; F238-F351 AromaticContact CD2-CD2 3.42Å; F238-F351 HydrophobicContact CD2-CD2 3.42Å; F238-F351 VanDerWaalsContact CD2-CD2 3.42Å; F238-F351 HydrophobicContact CD2-CE2 4.06Å; F238-F351 AromaticContact CD2-CG 3.78Å; F238-F351 HydrophobicContact CD2-CG 3.78Å; F238-F351 HydrophobicContact CE1-CB 3.61Å; F238-F351 HydrophobicContact CE1-CG 4.41Å; F238-F351 HydrophobicContact CE2-CB 4.19Å; F238-F351 HydrophobicContact CE2-CD2 4.08Å; F238-F351 HydrophobicContact CE2-CG 4.43Å; F238-F351 HydrophobicContact CG-CB 3.55Å; F238-F351 HydrophobicContact CG-CD1 4Å; F238-F351 AromaticContact CG-CD2 3.56Å; F238-F351 HydrophobicContact CG-CD2 3.56Å; F238-F351 HydrophobicContact CG-CE2 4.23Å; F238-F351 AromaticContact CG-CG 3.42Å; F238-F351 HydrophobicContact CG-CG 3.42Å; F238-F351 VanDerWaalsContact CG-CG 3.42Å; F238-F351 HydrophobicContact CZ-CB 4.02Å; F238-I373 HydrophobicContact CE2-CG2 3.39Å; F238-I373 HydrophobicContact CZ-CG2 3.68Å; F238-F394 HydrophobicContact CD1-CE2 4.34Å; F238-F394 HydrophobicContact CD2-CE2 4.16Å; F238-F394 HydrophobicContact CE1-CD2 4.27Å; F238-F394 AromaticContact CE1-CE2 3.85Å; F238-F394 HydrophobicContact CE1-CE2 3.85Å; F238-F394 AromaticContact CE2-CE2 3.6Å; F238-F394 HydrophobicContact CE2-CE2 3.6Å; F238-F394 HydrophobicContact CE2-CZ 4.06Å; F238-F394 HydrophobicContact CG-CE2 4.5Å; F238-F394 HydrophobicContact CZ-CD2 4.27Å; F238-F394 AromaticContact CZ-CE2 3.43Å; F238-F394 HydrophobicContact CZ-CE2 3.43Å; F238-F394 VanDerWaalsContact CZ-CE2 3.43Å; F238-F394 AromaticContact CZ-CZ 3.95Å; F238-F394 HydrophobicContact CZ-CZ 3.95Å; F238-W457 HydrophobicContact CD1-CZ2 4.45Å; F238-W457 HydrophobicContact CE1-CH2 4.13Å; F238-W457 AromaticContact CE1-CZ2 3.49Å; F238-W457 HydrophobicContact CE1-CZ2 3.49Å; F238-W457 VanDerWaalsContact CE1-CZ2 3.49Å; F238-W457 HydrophobicContact CZ-CZ2 4.12Å
239	L	97.9	Very high	96.2	Very high	69 Å²	69	54 Å²	54	36%	0.361	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-42.8	178.1	-66.1	172.2	0	0	0	111.6	R235 Q236 M241 G242 F351	R235-L239 HydrophobicContact CG-CD1 4.37Å; R235-L239 VanDerWaalsContact O-CG 3.31Å; R235-L239 WeakPolarHBondContact O-CG 3.47Å; R235-L239 PolarHBondContact O-N 3.36Å; R235-L239 VanDerWaalsContact O-N 3.13Å; Q236-L239 PolarHBondContact O-N 3Å; L239-M241 VanDerWaalsContact C-N 3.25Å; L239-M241 PolarHBondContact O-N 3.4Å; L239-G242 PolarHBondContact O-N 3.01Å; L239-F351 HydrophobicContact CD2-CE1 4.03Å; L239-F351 HydrophobicContact CD2-CZ 4.28Å; L239-F351 HydrophobicContact CG-CE1 4.41Å; L239-F351 HydrophobicContact CG-CZ 4.34Å
240	E	97.5	Very high	96.2	Very high	106 Å²	106	54 Å²	54	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-28.8	175	-72.7	175.1	-165.4	0	0	113.4	Q236 I237 F238 K397	Q236-E240 WeakPolarHBondContact CG-OE1 3.38Å; Q236-E240 PolarHBondContact NE2-OE1 3Å; Q236-E240 WeakPolarHBondContact O-CG 3.48Å; Q236-E240 PolarHBondContact O-N 3.39Å; I237-E240 PolarHBondContact O-N 3.18Å; F238-E240 VanDerWaalsContact C-N 3.34Å; F238-E240 PolarHBondContact O-N 3.15Å; E240-K397 IonicContact OE2-NZ 2.64Å; E240-K397 PolarHBondContact OE2-NZ 3.33Å
241	M	97.6	Very high	96.4	Very high	32 Å²	32	58 Å²	58	16%	0.158	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.7	175.5	-68.7	178.7	67.4	0	0	113	I237 F238 L239 F243 V390 Q393 F394 K397	I237-M241 HydrophobicContact CG2-SD 3.9Å; I237-M241 WeakPolarHBondContact O-CB 3.5Å; I237-M241 VanDerWaalsContact O-CG 3.27Å; I237-M241 WeakPolarHBondContact O-CG 3.34Å; I237-M241 PolarHBondContact O-N 3.33Å; F238-M241 CarbonylContact O-C 3.57Å; F238-M241 PolarHBondContact O-N 2.95Å; F238-M241 VanDerWaalsContact O-N 3.09Å; L239-M241 VanDerWaalsContact C-N 3.25Å; L239-M241 PolarHBondContact O-N 3.4Å; M241-F243 HydrophobicContact CB-CD2 3.68Å; M241-F243 HydrophobicContact CB-CE2 3.88Å; M241-F243 HydrophobicContact CE-CE2 4.35Å; M241-V390 HydrophobicContact CE-CG1 4.08Å; M241-Q393 HydrophobicContact CE-CB 4.06Å; M241-F394 HydrophobicContact CE-CB 4Å; M241-F394 HydrophobicContact SD-CB 3.99Å; M241-F394 HydrophobicContact SD-CD2 3.98Å; M241-F394 HydrophobicContact SD-CG 4.49Å; M241-K397 HydrophobicContact CG-CD 3.96Å; M241-K397 HydrophobicContact SD-CD 4.2Å
242	G	98.1	Very high	96.5	Very high	49 Å²	49	57 Å²	57	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	23.1	178.3	0	0	0	0	0	114.3	F238 L239	F238-G242 PolarHBondContact O-N 3.14Å; L239-G242 PolarHBondContact O-N 3.01Å
243	F	98.7	Very high	96.7	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.031	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-85.8	141.9	174.8	-72	-112.1	0	0	0	110.9	F238 M241 K349 Y350 F351 V376 V377 V390 W457	F238-F243 HydrophobicContact CB-CB 4.01Å; F238-F243 HydrophobicContact CD1-CB 4Å; F238-F243 AromaticContact CD1-CD1 3.93Å; F238-F243 HydrophobicContact CD1-CD1 3.93Å; F238-F243 HydrophobicContact CD1-CD2 4.19Å; F238-F243 AromaticContact CD1-CG 3.77Å; F238-F243 HydrophobicContact CD1-CG 3.77Å; F238-F243 HydrophobicContact CE1-CD1 4.32Å; F238-F243 HydrophobicContact CG-CB 4.47Å; F238-F243 WeakPolarHBondContact O-CB 3.44Å; F238-F243 PolarHBondContact O-N 3.33Å; M241-F243 HydrophobicContact CB-CD2 3.68Å; M241-F243 HydrophobicContact CB-CE2 3.88Å; M241-F243 HydrophobicContact CE-CE2 4.35Å; F243-K349 HydrophobicContact CB-CB 4.29Å; F243-K349 HydrophobicContact CD1-CB 3.69Å; F243-K349 HydrophobicContact CD2-CB 4.05Å; F243-K349 HydrophobicContact CD2-CD 4.17Å; F243-K349 HydrophobicContact CE1-CB 3.83Å; F243-K349 HydrophobicContact CE1-CG 4.43Å; F243-K349 HydrophobicContact CE2-CB 4.18Å; F243-K349 HydrophobicContact CE2-CD 3.86Å; F243-K349 HydrophobicContact CE2-CG 4.38Å; F243-K349 HydrophobicContact CG-CB 3.76Å; F243-K349 HydrophobicContact CZ-CB 4.03Å; F243-K349 HydrophobicContact CZ-CD 4.13Å; F243-K349 HydrophobicContact CZ-CG 4.22Å; F243-Y350 WeakPolarHBondContact CD1-O 3.48Å; F243-F351 HydrophobicContact CB-CB 4.24Å; F243-F351 HydrophobicContact CB-CD1 3.62Å; F243-F351 HydrophobicContact CB-CE1 4.4Å; F243-F351 HydrophobicContact CB-CG 4.3Å; F243-F351 HydrophobicContact CD1-CB 4.29Å; F243-V376 WeakPolarHBondContact CE1-O 3.37Å; F243-V377 HydrophobicContact CE1-CG2 3.59Å; F243-V377 HydrophobicContact CZ-CG2 3.37Å; F243-V390 HydrophobicContact CZ-CG1 4.29Å; F243-W457 HydrophobicContact CD1-CH2 4.45Å; F243-W457 AromaticContact CE1-CH2 3.46Å; F243-W457 HydrophobicContact CE1-CH2 3.46Å; F243-W457 VanDerWaalsContact CE1-CH2 3.46Å; F243-W457 HydrophobicContact CE1-CZ2 4.46Å; F243-W457 AromaticContact CE1-CZ3 3.93Å; F243-W457 HydrophobicContact CE1-CZ3 3.93Å; F243-W457 HydrophobicContact CE2-CH2 4.21Å; F243-W457 AromaticContact CZ-CH2 3.35Å; F243-W457 HydrophobicContact CZ-CH2 3.35Å; F243-W457 HydrophobicContact CZ-CZ2 4.41Å; F243-W457 AromaticContact CZ-CZ3 3.96Å; F243-W457 HydrophobicContact CZ-CZ3 3.96Å
244	S	98.6	Very high	96.9	Very high	71 Å²	71	51.5 Å²	51.5	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	137	173.2	-63.1	0	0	0	0	111	K349 Y350 F351	S244-K349 PolarHBondContact N-O 2.68Å; S244-Y350 CarbonylContact O-C 3.49Å; S244-Y350 VanDerWaalsContact O-CA 3.31Å; S244-Y350 WeakPolarHBondContact O-CA 3.19Å; S244-F351 VanDerWaalsContact C-CD1 3.47Å; S244-F351 WeakPolarHBondContact O-CD1 3.46Å; S244-F351 PolarHBondContact O-N 2.7Å
245	E	98.5	Very high	97.1	Very high	89 Å²	89	51.4 Å²	51.4	42%	0.416	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.3	-179	-166.2	164.6	-149	0	0	110.8	R235 F351	R235-E245 WeakPolarHBondContact CD-OE1 3.42Å; R235-E245 IonicContact CZ-OE2 2.83Å; R235-E245 VanDerWaalsContact CZ-OE2 3.3Å; R235-E245 VanDerWaalsContact NE-CD 3.34Å; R235-E245 IonicContact NE-OE1 3.35Å; R235-E245 PolarHBondContact NE-OE1 3.08Å; R235-E245 VanDerWaalsContact NE-OE1 3.09Å; R235-E245 IonicContact NE-OE2 2.74Å; R235-E245 PolarHBondContact NE-OE2 3.14Å; R235-E245 IonicContact NH2-OE2 3.09Å; R235-E245 PolarHBondContact NH2-OE2 3.26Å; E245-F351 CarbonylContact C-O 3.4Å; E245-F351 VanDerWaalsContact CA-CE1 3.44Å; E245-F351 WeakPolarHBondContact CA-O 3.46Å; E245-F351 HydrophobicContact CB-CD1 4.28Å; E245-F351 HydrophobicContact CB-CE1 3.56Å; E245-F351 HydrophobicContact CB-CE2 4.28Å; E245-F351 HydrophobicContact CB-CZ 3.55Å; E245-F351 HydrophobicContact CG-CE1 4.19Å; E245-F351 HydrophobicContact CG-CE2 3.99Å; E245-F351 HydrophobicContact CG-CZ 3.72Å; E245-F351 VanDerWaalsContact N-CE1 3.33Å
246	M	97.8	Very high	97.2	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.03	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-81.3	143.3	176.7	-63.7	-176.4	-78.2	0	0	110.9	T248 V331 M335 Y350 F351	M246-T248 PolarHBondContact O-N 3.46Å; M246-V331 HydrophobicContact CB-CG1 4.07Å; M246-V331 HydrophobicContact SD-CG1 4.4Å; M246-M335 HydrophobicContact CB-CG 4.13Å; M246-M335 HydrophobicContact CG-CB 4.49Å; M246-M335 HydrophobicContact CG-CE 4.48Å; M246-M335 HydrophobicContact CG-CG 3.85Å; M246-M335 HydrophobicContact SD-CB 3.83Å; M246-M335 HydrophobicContact SD-CG 3.6Å; M246-M335 VanDerWaalsContact SD-CG 3.6Å; M246-Y350 HydrophobicContact CG-CD1 4.27Å; M246-Y350 HydrophobicContact CG-CG 3.94Å; M246-Y350 HydrophobicContact SD-CD2 4.3Å; M246-Y350 HydrophobicContact SD-CG 4.11Å; M246-F351 PolarHBondContact N-O 2.99Å
247	P	96.8	Very high	97.3	Very high	68 Å²	68	42.6 Å²	42.6	44%	0.442	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-72.3	126.4	171.7	30.2	-33.3	0	0	0	110.7	V331 M335	P247-V331 WeakPolarHBondContact O-CG1 3.25Å; P247-M335 HydrophobicContact CG-SD 4.21Å
248	T	95.8	Very high	97.4	Very high	24 Å²	24	42.2 Å²	42.2	15%	0.147	23%	0.234	C	C	.	.			trans	-117.6	24.8	-177	57.8	0	0	0	0	112.1	M246 N250 R325 V331 D354	M246-T248 PolarHBondContact O-N 3.46Å; T248-N250 PolarHBondContact O-N 2.87Å; T248-R325 PolarHBondContact O-NH1 2.7Å; T248-V331 HydrophobicContact CG2-CG1 4.06Å; T248-V331 HydrophobicContact CG2-CG2 4.2Å; T248-D354 WeakPolarHBondContact CB-OD2 3.42Å; T248-D354 HydrophobicContact CG2-CB 3.96Å; T248-D354 VanDerWaalsContact O-OD2 3.11Å; T248-D354 PolarHBondContact OG1-OD2 2.67Å
249	N	92.8	Very high	97.4	Very high	145 Å²	145	42.2 Å²	42.2	78%	0.775	24%	0.235	S	C	*	.			trans	-75	45.1	-171.7	60.9	-50.7	0	0	0	114
250	N	92.9	Very high	97.4	Very high	36 Å²	36	39 Å²	39	19%	0.193	22%	0.217	C	C	.	.			trans	-152	100.1	-179.7	61.8	-45.7	0	0	0	110.3	T248 E253 R325	T248-N250 PolarHBondContact O-N 2.87Å; N250-E253 PolarHBondContact ND2-OE2 3.18Å; N250-R325 WeakPolarHBondContact O-CD 3.27Å; N250-R325 PolarHBondContact O-NH1 2.9Å
251	F	97.7	Very high	97.5	Very high	89 Å²	89	34 Å²	34	39%	0.39	19%	0.194	S	C	.	.	S	Bend	trans	-76.6	-34.1	170.1	-70.2	-11.3	0	0	0	111.9	L324 R325 F357	F251-L324 WeakPolarHBondContact O-CA 3.42Å; F251-R325 PolarHBondContact O-N 3.34Å; F251-F357 HydrophobicContact CB-CE2 3.88Å; F251-F357 HydrophobicContact CB-CZ 4.28Å; F251-F357 HydrophobicContact CD1-CE2 4.16Å; F251-F357 HydrophobicContact CD1-CZ 4.43Å; F251-F357 HydrophobicContact CD2-CE2 4.3Å; F251-F357 AromaticContact CD2-CZ 3.92Å; F251-F357 HydrophobicContact CD2-CZ 3.92Å; F251-F357 HydrophobicContact CE2-CZ 4.32Å; F251-F357 AromaticContact CG-CE2 3.87Å; F251-F357 HydrophobicContact CG-CE2 3.87Å; F251-F357 AromaticContact CG-CZ 3.97Å; F251-F357 HydrophobicContact CG-CZ 3.97Å
252	I	97.7	Very high	97.5	Very high	74 Å²	74	32.4 Å²	32.4	38%	0.379	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.8	173	-57.2	176.6	0	0	0	108	L279 N322 I323 L324	I252-L279 HydrophobicContact CB-CD1 4.13Å; I252-L279 HydrophobicContact CD1-CD1 3.57Å; I252-L279 HydrophobicContact CG1-CD1 3.7Å; I252-L279 HydrophobicContact CG2-CD1 3.41Å; I252-L279 VanDerWaalsContact CG2-CD1 3.41Å; I252-N322 HydrophobicContact CG2-CB 4.03Å; I252-I323 WeakPolarHBondContact CA-O 3.47Å; I252-L324 HydrophobicContact CG1-CD2 4.35Å
253	E	97.8	Very high	97.5	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.5	175.1	-168.9	54.9	-81.2	0	0	110.1	N250 W257 N258 I323 R325 A330 R334	N250-E253 PolarHBondContact ND2-OE2 3.18Å; E253-W257 VanDerWaalsContact CD-CB 3.46Å; E253-W257 HydrophobicContact CG-CB 3.86Å; E253-W257 WeakPolarHBondContact OE1-CB 3.34Å; E253-N258 HydrophobicContact CB-CB 4.38Å; E253-N258 HydrophobicContact CG-CB 3.87Å; E253-I323 PolarHBondContact N-O 3.12Å; E253-I323 WeakPolarHBondContact O-CG1 3.28Å; E253-I323 PolarHBondContact O-N 3.5Å; E253-R325 HydrophobicContact CB-CB 4.05Å; E253-A330 HydrophobicContact CG-CB 4.06Å; E253-R334 IonicContact OE1-CZ 3.4Å; E253-R334 IonicContact OE1-NE 2.72Å; E253-R334 PolarHBondContact OE1-NE 3.02Å; E253-R334 IonicContact OE1-NH2 2.66Å; E253-R334 PolarHBondContact OE1-NH2 3.11Å; E253-R334 IonicContact OE2-CZ 3.59Å; E253-R334 IonicContact OE2-NE 2.72Å; E253-R334 PolarHBondContact OE2-NE 3.02Å; E253-R334 IonicContact OE2-NH2 3.59Å
254	S	98	Very high	97.5	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	146.5	170.3	66.9	0	0	0	0	110.2	F256 W257 N258	S254-F256 PolarHBondContact O-N 2.79Å; S254-F256 VanDerWaalsContact O-N 3.12Å; S254-W257 PolarHBondContact O-N 3.43Å; S254-W257 VanDerWaalsContact OG-CD1 3.3Å; S254-W257 PolarHBondContact OG-N 2.87Å; S254-N258 PolarHBondContact O-N 3.45Å
255	S	98.1	Very high	97.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-29.5	176.1	-68.3	0	0	0	0	112	F259 D260 E318 K321	S255-F259 WeakPolarHBondContact O-CB 3.32Å; S255-F259 PolarHBondContact O-N 2.86Å; S255-D260 PolarHBondContact O-N 2.91Å; S255-E318 WeakPolarHBondContact CB-O 3.26Å; S255-K321 VanDerWaalsContact CB-O 3.27Å; S255-K321 WeakPolarHBondContact CB-O 3.24Å; S255-K321 PolarHBondContact N-O 3.29Å; S255-K321 PolarHBondContact OG-O 2.97Å
256	F	98.6	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-53.7	-59.3	168.9	178.2	-104.9	0	0	0	112.3	S254 D260 S261 F288 Y292 L293 V296 W314 A319	S254-F256 PolarHBondContact O-N 2.79Å; S254-F256 VanDerWaalsContact O-N 3.12Å; F256-D260 WeakPolarHBondContact CA-OD2 3.18Å; F256-D260 HydrophobicContact CD2-CB 3.98Å; F256-D260 CarbonylContact O-C 3.59Å; F256-D260 PolarHBondContact O-N 3.18Å; F256-D260 VanDerWaalsContact O-N 3.08Å; F256-S261 WeakPolarHBondContact O-CB 3.39Å; F256-S261 PolarHBondContact O-N 3.45Å; F256-F288 HydrophobicContact CB-CD1 3.98Å; F256-F288 HydrophobicContact CB-CE1 3.68Å; F256-F288 AromaticContact CD1-CD1 3.89Å; F256-F288 HydrophobicContact CD1-CD1 3.89Å; F256-F288 HydrophobicContact CD1-CE1 4.4Å; F256-F288 HydrophobicContact CG-CD1 4Å; F256-F288 HydrophobicContact CG-CE1 4.22Å; F256-Y292 AromaticContact CE1-CD1 3.87Å; F256-Y292 HydrophobicContact CE1-CD1 3.87Å; F256-Y292 AromaticContact CE1-CE1 3.78Å; F256-Y292 HydrophobicContact CE1-CE1 3.78Å; F256-Y292 AromaticContact CZ-CD1 3.63Å; F256-Y292 HydrophobicContact CZ-CD1 3.63Å; F256-Y292 AromaticContact CZ-CE1 3.58Å; F256-Y292 HydrophobicContact CZ-CE1 3.58Å; F256-Y292 HydrophobicContact CZ-CG 4.4Å; F256-L293 HydrophobicContact CD2-CD1 4.12Å; F256-L293 HydrophobicContact CD2-CG 4.2Å; F256-L293 HydrophobicContact CE2-CB 4.03Å; F256-L293 HydrophobicContact CE2-CD1 4.22Å; F256-L293 HydrophobicContact CE2-CG 3.89Å; F256-L293 HydrophobicContact CZ-CB 4.17Å; F256-L293 HydrophobicContact CZ-CG 4.49Å; F256-V296 HydrophobicContact CE2-CB 4.06Å; F256-V296 HydrophobicContact CE2-CG1 4.02Å; F256-V296 HydrophobicContact CE2-CG2 4.13Å; F256-V296 HydrophobicContact CZ-CG2 4.16Å; F256-W314 HydrophobicContact CD2-CZ2 4.34Å; F256-A319 HydrophobicContact CB-CB 4.06Å; F256-A319 HydrophobicContact CD2-CB 4.48Å; F256-A319 PolarHBondContact N-O 3.14Å
257	W	98.4	Very high	97.2	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.038	15%	0.153	C	C	.	.	H	α-helix	trans	-71.4	-35.9	-176.5	-76.3	111.5	0	0	0	112.3	E253 S254 S261 P289 Y292 A333 R334 Y337	E253-W257 VanDerWaalsContact CD-CB 3.46Å; E253-W257 HydrophobicContact CG-CB 3.86Å; E253-W257 WeakPolarHBondContact OE1-CB 3.34Å; S254-W257 PolarHBondContact O-N 3.43Å; S254-W257 VanDerWaalsContact OG-CD1 3.3Å; S254-W257 PolarHBondContact OG-N 2.87Å; W257-S261 WeakPolarHBondContact CA-OG 3.19Å; W257-S261 PolarHBondContact O-OG 3.01Å; W257-P289 HydrophobicContact CH2-CG 4.32Å; W257-P289 HydrophobicContact CZ2-CG 3.8Å; W257-Y292 AromaticContact CH2-CD1 3.92Å; W257-Y292 HydrophobicContact CH2-CD1 3.92Å; W257-Y292 AromaticContact CH2-CE1 3.74Å; W257-Y292 HydrophobicContact CH2-CE1 3.74Å; W257-Y292 HydrophobicContact CZ3-CD1 4.39Å; W257-Y292 AromaticContact CZ3-CE1 3.73Å; W257-Y292 HydrophobicContact CZ3-CE1 3.73Å; W257-A333 HydrophobicContact CE3-CB 4.28Å; W257-R334 HydrophobicContact CD2-CG 3.77Å; W257-R334 HydrophobicContact CE3-CG 3.67Å; W257-R334 HydrophobicContact CG-CG 4.21Å; W257-R334 HydrophobicContact CZ3-CG 4.11Å; W257-Y337 AromaticContact CH2-CD1 3.75Å; W257-Y337 HydrophobicContact CH2-CD1 3.75Å; W257-Y337 HydrophobicContact CH2-CD2 4.36Å; W257-Y337 HydrophobicContact CH2-CE1 4.44Å; W257-Y337 AromaticContact CH2-CG 3.7Å; W257-Y337 HydrophobicContact CH2-CG 3.7Å; W257-Y337 HydrophobicContact CZ3-CG 4.28Å
258	N	98.2	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-74.6	-30.8	-178.3	-162.2	92.5	0	0	0	113.1	E253 S254 L262 I323 T326 H327 A330	E253-N258 HydrophobicContact CB-CB 4.38Å; E253-N258 HydrophobicContact CG-CB 3.87Å; S254-N258 PolarHBondContact O-N 3.45Å; N258-L262 VanDerWaalsContact O-CD1 3.28Å; N258-L262 WeakPolarHBondContact O-CD1 3.33Å; N258-I323 HydrophobicContact CB-CD1 3.66Å; N258-I323 HydrophobicContact CB-CG1 4.45Å; N258-T326 PolarHBondContact ND2-OG1 2.86Å; N258-T326 PolarHBondContact OD1-N 3.13Å; N258-H327 PolarHBondContact O-CE1 3.05Å; N258-A330 HydrophobicContact CB-CB 4.29Å
259	F	98.2	Very high	96.9	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-59.6	-174.4	-57.4	-60.2	0	0	0	113	S255 S261 L262 Q264 R271 T276 I323 T326	S255-F259 WeakPolarHBondContact O-CB 3.32Å; S255-F259 PolarHBondContact O-N 2.86Å; F259-S261 VanDerWaalsContact C-N 3.35Å; F259-S261 PolarHBondContact O-N 3.3Å; F259-L262 WeakPolarHBondContact O-CB 3.23Å; F259-L262 PolarHBondContact O-N 2.85Å; F259-L262 VanDerWaalsContact O-N 3.08Å; F259-Q264 HydrophobicContact CB-CB 4.48Å; F259-Q264 WeakPolarHBondContact O-CB 3.42Å; F259-Q264 PolarHBondContact O-N 2.8Å; F259-R271 HydrophobicContact CB-CG 4.36Å; F259-R271 HydrophobicContact CD1-CG 3.99Å; F259-R271 HydrophobicContact CD2-CG 3.7Å; F259-R271 HydrophobicContact CE1-CG 4.09Å; F259-R271 HydrophobicContact CE2-CB 4.36Å; F259-R271 HydrophobicContact CE2-CG 3.8Å; F259-R271 HydrophobicContact CG-CG 3.77Å; F259-R271 HydrophobicContact CZ-CG 4Å; F259-T276 HydrophobicContact CE2-CG2 4.47Å; F259-T276 HydrophobicContact CZ-CG2 4.33Å; F259-I323 HydrophobicContact CD2-CD1 4.2Å; F259-I323 HydrophobicContact CE2-CD1 3.43Å; F259-I323 VanDerWaalsContact CE2-CD1 3.43Å; F259-I323 HydrophobicContact CZ-CD1 3.87Å; F259-T326 HydrophobicContact CZ-CG2 4.08Å
260	D	98.4	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-63.6	-40.5	-170.5	-59.9	-62.7	0	0	0	112	S255 F256 L262 F263 Q266 R271 V296 H300 W314 A319	S255-D260 PolarHBondContact O-N 2.91Å; F256-D260 WeakPolarHBondContact CA-OD2 3.18Å; F256-D260 HydrophobicContact CD2-CB 3.98Å; F256-D260 CarbonylContact O-C 3.59Å; F256-D260 PolarHBondContact O-N 3.18Å; F256-D260 VanDerWaalsContact O-N 3.08Å; D260-L262 PolarHBondContact O-N 3.43Å; D260-F263 PolarHBondContact O-N 3.27Å; D260-Q266 WeakPolarHBondContact OD1-CG 3.45Å; D260-Q266 PolarHBondContact OD1-NE2 3.18Å; D260-R271 VanDerWaalsContact CG-NH1 3.34Å; D260-R271 IonicContact OD1-CZ 3.09Å; D260-R271 IonicContact OD1-NH1 3.67Å; D260-R271 PolarHBondContact OD1-NH1 2.74Å; D260-R271 IonicContact OD1-NH2 2.86Å; D260-R271 IonicContact OD2-CZ 2.88Å; D260-R271 IonicContact OD2-NH1 3.84Å; D260-R271 IonicContact OD2-NH2 3.3Å; D260-R271 PolarHBondContact OD2-NH2 3.33Å; D260-R271 VanDerWaalsContact OD2-NH2 3.09Å; D260-V296 HydrophobicContact CB-CG1 4.2Å; D260-V296 WeakPolarHBondContact O-CG1 3.35Å; D260-H300 PolarHBondContact O-NE2 2.94Å; D260-W314 HydrophobicContact CB-CZ2 4.25Å; D260-W314 PolarHBondContact OD1-NE1 3.15Å; D260-A319 WeakPolarHBondContact OD2-CB 3.17Å
261	S	98.4	Very high	96.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-67.1	-16.1	179.4	85.9	0	0	0	0	113.5	F256 W257 F259 Y292 A333 M446	F256-S261 WeakPolarHBondContact O-CB 3.39Å; F256-S261 PolarHBondContact O-N 3.45Å; W257-S261 WeakPolarHBondContact CA-OG 3.19Å; W257-S261 PolarHBondContact O-OG 3.01Å; F259-S261 VanDerWaalsContact C-N 3.35Å; F259-S261 PolarHBondContact O-N 3.3Å; S261-Y292 WeakPolarHBondContact CB-OH 3.49Å; S261-Y292 PolarHBondContact O-OH 3.3Å; S261-A333 WeakPolarHBondContact OG-CB 3.32Å; S261-M446 WeakPolarHBondContact O-CE 3.43Å
262	L	98.3	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-91.6	1.9	174.1	-59.4	-179.1	0	0	0	112	N258 F259 D260 Q264 T329 A333 Y412 M442	N258-L262 VanDerWaalsContact O-CD1 3.28Å; N258-L262 WeakPolarHBondContact O-CD1 3.33Å; F259-L262 WeakPolarHBondContact O-CB 3.23Å; F259-L262 PolarHBondContact O-N 2.85Å; F259-L262 VanDerWaalsContact O-N 3.08Å; D260-L262 PolarHBondContact O-N 3.43Å; L262-Q264 PolarHBondContact O-N 2.79Å; L262-T329 HydrophobicContact CD1-CG2 3.91Å; L262-T329 HydrophobicContact CD2-CG2 3.86Å; L262-A333 HydrophobicContact CD2-CB 3.66Å; L262-Y412 HydrophobicContact CB-CD1 4.21Å; L262-Y412 HydrophobicContact CB-CG 4.29Å; L262-Y412 HydrophobicContact CD1-CD1 4.3Å; L262-Y412 WeakPolarHBondContact O-CB 3.37Å; L262-M442 HydrophobicContact CB-SD 4.43Å; L262-M442 HydrophobicContact CD2-CE 3.43Å; L262-M442 VanDerWaalsContact CD2-CE 3.43Å; L262-M442 HydrophobicContact CD2-SD 3.87Å
263	F	98.3	Very high	95.4	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.026	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	28.5	-170.5	-163.3	-114.2	0	0	0	113.6	D260 V299 H300 Y310 E441 M442	D260-F263 PolarHBondContact O-N 3.27Å; F263-V299 HydrophobicContact CD2-CG1 4.15Å; F263-V299 HydrophobicContact CE2-CG1 3.75Å; F263-H300 WeakPolarHBondContact CA-NE2 3.2Å; F263-H300 AromaticContact CD2-CD2 3.75Å; F263-H300 AromaticContact CD2-NE2 3.72Å; F263-Y310 AromaticContact CD1-CE2 3.75Å; F263-Y310 HydrophobicContact CD1-CE2 3.75Å; F263-Y310 AromaticContact CD1-CZ 3.93Å; F263-Y310 HydrophobicContact CD2-CD2 4.48Å; F263-Y310 AromaticContact CD2-CE2 3.89Å; F263-Y310 HydrophobicContact CD2-CE2 3.89Å; F263-Y310 HydrophobicContact CE1-CD2 4.31Å; F263-Y310 AromaticContact CE1-CE2 3.5Å; F263-Y310 HydrophobicContact CE1-CE2 3.5Å; F263-Y310 VanDerWaalsContact CE1-CE2 3.5Å; F263-Y310 AromaticContact CE1-CZ 3.64Å; F263-Y310 AromaticContact CE2-CD2 3.87Å; F263-Y310 HydrophobicContact CE2-CD2 3.87Å; F263-Y310 AromaticContact CE2-CE2 3.61Å; F263-Y310 HydrophobicContact CE2-CE2 3.61Å; F263-Y310 AromaticContact CG-CE2 3.96Å; F263-Y310 HydrophobicContact CG-CE2 3.96Å; F263-Y310 AromaticContact CZ-CD2 3.8Å; F263-Y310 HydrophobicContact CZ-CD2 3.8Å; F263-Y310 AromaticContact CZ-CE2 3.42Å; F263-Y310 HydrophobicContact CZ-CE2 3.42Å; F263-Y310 VanDerWaalsContact CZ-CE2 3.42Å; F263-Y310 AromaticContact CZ-CZ 3.99Å; F263-Y310 VanDerWaalsContact O-CE2 3.24Å; F263-Y310 WeakPolarHBondContact O-CE2 3.14Å; F263-Y310 PolarHBondContact O-OH 3.39Å; F263-E441 HydrophobicContact CB-CB 4.37Å; F263-E441 HydrophobicContact CD1-CB 3.57Å; F263-E441 HydrophobicContact CD1-CG 4.27Å; F263-E441 HydrophobicContact CD2-CB 3.62Å; F263-E441 HydrophobicContact CE1-CB 3.57Å; F263-E441 HydrophobicContact CE1-CG 3.78Å; F263-E441 HydrophobicContact CE2-CB 3.66Å; F263-E441 HydrophobicContact CE2-CG 4.19Å; F263-E441 HydrophobicContact CG-CB 3.58Å; F263-E441 HydrophobicContact CZ-CB 3.61Å; F263-E441 HydrophobicContact CZ-CG 3.74Å; F263-M442 HydrophobicContact CB-CB 4.11Å
264	Q	97.9	Very high	94.5	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.037	18%	0.181	C	C	.	.			trans	-89.5	125.6	169.6	-173	171.3	3	0	0	110.3	F259 L262 H268 H300 P411	F259-Q264 HydrophobicContact CB-CB 4.48Å; F259-Q264 WeakPolarHBondContact O-CB 3.42Å; F259-Q264 PolarHBondContact O-N 2.8Å; L262-Q264 PolarHBondContact O-N 2.79Å; Q264-H268 HydrophobicContact CG-CB 3.97Å; Q264-H268 PolarHBondContact NE2-CE1 3.36Å; Q264-H268 VanDerWaalsContact NE2-CE1 3.31Å; Q264-H268 VanDerWaalsContact NE2-CG 3.28Å; Q264-H268 PolarHBondContact NE2-ND1 3.07Å; Q264-H300 PolarHBondContact O-CE1 2.88Å; Q264-P411 HydrophobicContact CB-CB 4.17Å; Q264-P411 HydrophobicContact CG-CB 4Å; Q264-P411 HydrophobicContact CG-CG 4.09Å
265	P	97.3	Very high	94	Very high	12 Å²	12	38.1 Å²	38.1	8%	0.078	20%	0.196	C	C	.	.			trans	-68.3	154.1	-170.7	25.4	-31.5	0	0	0	112.6	Q267 H268 R271 Y310 Y312	P265-Q267 VanDerWaalsContact C-N 3.32Å; P265-Q267 PolarHBondContact O-N 2.81Å; P265-H268 HydrophobicContact CG-CB 4.17Å; P265-H268 WeakPolarHBondContact O-CB 3.31Å; P265-H268 PolarHBondContact O-N 3.4Å; P265-H268 VanDerWaalsContact O-N 3.11Å; P265-R271 WeakPolarHBondContact O-CD 3.47Å; P265-Y310 HydrophobicContact CB-CD1 4.22Å; P265-Y310 HydrophobicContact CB-CD2 3.97Å; P265-Y310 HydrophobicContact CB-CE1 4.31Å; P265-Y310 HydrophobicContact CB-CE2 4.07Å; P265-Y310 HydrophobicContact CB-CG 4.05Å; P265-Y310 HydrophobicContact CG-CD1 4.32Å; P265-Y310 HydrophobicContact CG-CE1 4.01Å; P265-Y310 HydrophobicContact CG-CE2 4.31Å; P265-Y312 HydrophobicContact CB-CE1 4.27Å
266	Q	97.1	Very high	93.8	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.103	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.5	-177.3	-74.6	-178.3	-15.1	0	0	114.2	D260 H268 R271 Y312 W314 K315 E318	D260-Q266 WeakPolarHBondContact OD1-CG 3.45Å; D260-Q266 PolarHBondContact OD1-NE2 3.18Å; Q266-H268 PolarHBondContact O-N 3.1Å; Q266-R271 VanDerWaalsContact CG-NH1 3.31Å; Q266-Y312 HydrophobicContact CB-CE2 3.78Å; Q266-Y312 HydrophobicContact CG-CE2 4.11Å; Q266-Y312 WeakPolarHBondContact CG-OH 3.4Å; Q266-Y312 PolarHBondContact N-OH 2.82Å; Q266-Y312 VanDerWaalsContact N-OH 3.13Å; Q266-W314 VanDerWaalsContact NE2-NE1 3.16Å; Q266-K315 PolarHBondContact NE2-O 3.47Å; Q266-E318 HydrophobicContact CG-CB 4.35Å
267	Q	94.3	Very high	93.7	Very high	114 Å²	114	41 Å²	41	53%	0.533	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	8.1	174.5	63.1	-87.9	19	0	0	114	P265	P265-Q267 VanDerWaalsContact C-N 3.32Å; P265-Q267 PolarHBondContact O-N 2.81Å
268	H	94.2	Very high	93.6	Very high	45 Å²	45	43.3 Å²	43.3	21%	0.208	22%	0.22	C	C	.	.			trans	-66.8	132.7	-178.1	-169.4	-76.2	0	0	0	111.3	Q264 P265 Q266 A270 R271	Q264-H268 HydrophobicContact CG-CB 3.97Å; Q264-H268 PolarHBondContact NE2-CE1 3.36Å; Q264-H268 VanDerWaalsContact NE2-CE1 3.31Å; Q264-H268 VanDerWaalsContact NE2-CG 3.28Å; Q264-H268 PolarHBondContact NE2-ND1 3.07Å; P265-H268 HydrophobicContact CG-CB 4.17Å; P265-H268 WeakPolarHBondContact O-CB 3.31Å; P265-H268 PolarHBondContact O-N 3.4Å; P265-H268 VanDerWaalsContact O-N 3.11Å; Q266-H268 PolarHBondContact O-N 3.1Å; H268-A270 VanDerWaalsContact C-N 3.28Å; H268-A270 VanDerWaalsContact ND1-CB 3.29Å; H268-A270 WeakPolarHBondContact ND1-CB 3.48Å; H268-A270 PolarHBondContact ND1-N 2.86Å; H268-A270 PolarHBondContact O-N 3.39Å; H268-A270 VanDerWaalsContact O-N 3.16Å; H268-R271 HydrophobicContact CB-CG 4.44Å; H268-R271 WeakPolarHBondContact O-CB 3.37Å; H268-R271 PolarHBondContact O-N 3.3Å
269	P	92.4	Very high	93.6	Very high	90 Å²	90	45 Å²	45	58%	0.584	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-53.7	-39	-177.4	-28.9	35	0	0	0	114.5	R271 D272	P269-R271 PolarHBondContact O-N 3.48Å; P269-D272 WeakPolarHBondContact O-CB 3.46Å; P269-D272 PolarHBondContact O-N 3.3Å
270	A	89.1	Confident	93.5	Very high	34 Å²	34	50.4 Å²	50.4	28%	0.281	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56.5	-15.2	176.1	0	0	0	0	0	115.2	H268 D272 T276	H268-A270 VanDerWaalsContact C-N 3.28Å; H268-A270 VanDerWaalsContact ND1-CB 3.29Å; H268-A270 WeakPolarHBondContact ND1-CB 3.48Å; H268-A270 PolarHBondContact ND1-N 2.86Å; H268-A270 PolarHBondContact O-N 3.39Å; H268-A270 VanDerWaalsContact O-N 3.16Å; A270-D272 VanDerWaalsContact C-N 3.34Å; A270-T276 PolarHBondContact O-OG1 2.96Å
271	R	92.1	Very high	93.4	Very high	17 Å²	17	56.9 Å²	56.9	6%	0.064	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-89	-0.3	174.8	-57.6	-177.1	69	155.4	-0.9	112.9	F259 D260 P265 Q266 H268 P269 F278	F259-R271 HydrophobicContact CB-CG 4.36Å; F259-R271 HydrophobicContact CD1-CG 3.99Å; F259-R271 HydrophobicContact CD2-CG 3.7Å; F259-R271 HydrophobicContact CE1-CG 4.09Å; F259-R271 HydrophobicContact CE2-CB 4.36Å; F259-R271 HydrophobicContact CE2-CG 3.8Å; F259-R271 HydrophobicContact CG-CG 3.77Å; F259-R271 HydrophobicContact CZ-CG 4Å; D260-R271 VanDerWaalsContact CG-NH1 3.34Å; D260-R271 IonicContact OD1-CZ 3.09Å; D260-R271 IonicContact OD1-NH1 3.67Å; D260-R271 PolarHBondContact OD1-NH1 2.74Å; D260-R271 IonicContact OD1-NH2 2.86Å; D260-R271 IonicContact OD2-CZ 2.88Å; D260-R271 IonicContact OD2-NH1 3.84Å; D260-R271 IonicContact OD2-NH2 3.3Å; D260-R271 PolarHBondContact OD2-NH2 3.33Å; D260-R271 VanDerWaalsContact OD2-NH2 3.09Å; P265-R271 WeakPolarHBondContact O-CD 3.47Å; Q266-R271 VanDerWaalsContact CG-NH1 3.31Å; H268-R271 HydrophobicContact CB-CG 4.44Å; H268-R271 WeakPolarHBondContact O-CB 3.37Å; H268-R271 PolarHBondContact O-N 3.3Å; P269-R271 PolarHBondContact O-N 3.48Å; R271-F278 WeakPolarHBondContact O-CE2 3.3Å; R271-F278 WeakPolarHBondContact O-CZ 3.22Å
272	D	88.9	Confident	93.2	Very high	84 Å²	84	59.8 Å²	59.8	45%	0.449	32%	0.32	S	S	.	.	S	Bend	trans	-72.5	154	177.9	-156.1	-22.3	0	0	0	110.6	P269 A270 H274 D275 T276	P269-D272 WeakPolarHBondContact O-CB 3.46Å; P269-D272 PolarHBondContact O-N 3.3Å; A270-D272 VanDerWaalsContact C-N 3.34Å; D272-H274 PolarHBondContact O-N 3.06Å; D272-D275 PolarHBondContact O-N 3.29Å; D272-T276 PolarHBondContact O-N 3.04Å
273	Q	78.9	Confident	93.2	Very high	141 Å²	141	62.5 Å²	62.5	66%	0.659	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.1	177.1	-66.3	-176.2	-10.2	0	0	112.1	D275 F278 N359	Q273-D275 VanDerWaalsContact C-N 3.28Å; Q273-F278 HydrophobicContact CG-CD2 4.04Å; Q273-F278 HydrophobicContact CG-CE2 4.23Å; Q273-N359 PolarHBondContact O-ND2 3.32Å
274	H	79.4	Confident	93.1	Very high	146 Å²	146	65.5 Å²	65.5	68%	0.676	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.6	173.9	-70.5	-64.4	0	0	0	113.5	D272	D272-H274 PolarHBondContact O-N 3.06Å
275	D	86.6	Confident	93.1	Very high	68 Å²	68	66 Å²	66	36%	0.364	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-27.3	-177.2	-71.4	-58.6	0	0	0	112.9	D272 Q273 N359	D272-D275 PolarHBondContact O-N 3.29Å; Q273-D275 VanDerWaalsContact C-N 3.28Å; D275-N359 PolarHBondContact O-N 3.22Å
276	T	94.4	Very high	92.8	Very high	3 Å²	3	71.6 Å²	71.6	2%	0.018	39%	0.385	C	S	.	.	S	Bend	trans	-123.5	136.1	-172.9	-67.4	0	0	0	0	112.5	F259 A270 D272 F278 I323 T326	F259-T276 HydrophobicContact CE2-CG2 4.47Å; F259-T276 HydrophobicContact CZ-CG2 4.33Å; A270-T276 PolarHBondContact O-OG1 2.96Å; D272-T276 PolarHBondContact O-N 3.04Å; T276-F278 HydrophobicContact CG2-CD2 4.33Å; T276-F278 HydrophobicContact CG2-CE2 4.04Å; T276-F278 HydrophobicContact CG2-CZ 4.36Å; T276-F278 WeakPolarHBondContact O-CD2 3.01Å; T276-F278 PolarHBondContact O-N 2.81Å; T276-I323 HydrophobicContact CG2-CB 3.8Å; T276-I323 HydrophobicContact CG2-CD1 3.85Å; T276-I323 HydrophobicContact CG2-CG1 4.44Å; T276-I323 HydrophobicContact CG2-CG2 3.67Å; T276-T326 HydrophobicContact CG2-CG2 3.78Å; T276-T326 WeakPolarHBondContact OG1-CG2 3.47Å
277	F	96.9	Very high	92.7	Very high	60 Å²	60	79 Å²	79	26%	0.263	42%	0.419	S	S	.	.			trans	-80.7	105.3	171.6	-66.6	-64	0	0	0	111.3	I323 L324 F357 R358 N359 A368	F277-I323 CarbonylContact O-C 3.53Å; F277-I323 VanDerWaalsContact O-CA 3.27Å; F277-I323 WeakPolarHBondContact O-CA 3.47Å; F277-I323 WeakPolarHBondContact O-CB 3.21Å; F277-L324 HydrophobicContact CB-CB 4.2Å; F277-L324 HydrophobicContact CB-CD1 3.98Å; F277-L324 HydrophobicContact CB-CG 4.24Å; F277-L324 HydrophobicContact CD2-CD1 4.35Å; F277-L324 HydrophobicContact CG-CD1 4.39Å; F277-L324 PolarHBondContact O-N 2.68Å; F277-F357 HydrophobicContact CD2-CB 4Å; F277-R358 VanDerWaalsContact CE2-C 3.41Å; F277-R358 WeakPolarHBondContact CE2-O 3.48Å; F277-N359 HydrophobicContact CD1-CB 3.99Å; F277-N359 HydrophobicContact CD2-CB 4.39Å; F277-N359 HydrophobicContact CE1-CB 3.74Å; F277-N359 VanDerWaalsContact CE1-CG 3.43Å; F277-N359 WeakPolarHBondContact CE1-OD1 3.49Å; F277-N359 HydrophobicContact CE2-CB 4.18Å; F277-N359 HydrophobicContact CG-CB 4.32Å; F277-N359 HydrophobicContact CZ-CB 3.85Å; F277-N359 WeakPolarHBondContact CZ-OD1 3.29Å; F277-A368 HydrophobicContact CE2-CB 4.09Å; F277-A368 HydrophobicContact CZ-CB 4.07Å
278	F	96.8	Very high	92.8	Very high	58 Å²	58	74.7 Å²	74.7	25%	0.254	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-81.2	146.1	170.8	-71.4	-91.6	0	0	0	111.7	R271 Q273 T276 K321 I323	R271-F278 WeakPolarHBondContact O-CE2 3.3Å; R271-F278 WeakPolarHBondContact O-CZ 3.22Å; Q273-F278 HydrophobicContact CG-CD2 4.04Å; Q273-F278 HydrophobicContact CG-CE2 4.23Å; T276-F278 HydrophobicContact CG2-CD2 4.33Å; T276-F278 HydrophobicContact CG2-CE2 4.04Å; T276-F278 HydrophobicContact CG2-CZ 4.36Å; T276-F278 WeakPolarHBondContact O-CD2 3.01Å; T276-F278 PolarHBondContact O-N 2.81Å; F278-K321 HydrophobicContact CD1-CB 4.02Å; F278-K321 HydrophobicContact CD1-CD 4.16Å; F278-K321 HydrophobicContact CE1-CB 3.95Å; F278-K321 HydrophobicContact CE1-CD 3.83Å; F278-I323 HydrophobicContact CD1-CG2 3.44Å; F278-I323 VanDerWaalsContact CD1-CG2 3.44Å; F278-I323 HydrophobicContact CE1-CG2 3.52Å; F278-I323 HydrophobicContact CG-CG2 4Å; F278-I323 HydrophobicContact CZ-CG2 4.14Å
279	L	97.2	Very high	92.9	Very high	35 Å²	35	74.2 Å²	74.2	18%	0.183	40%	0.399	C	S	.	.			trans	-86.1	136.8	177.3	-63.1	-171	0	0	0	112	I252 S283 N322 L324	I252-L279 HydrophobicContact CB-CD1 4.13Å; I252-L279 HydrophobicContact CD1-CD1 3.57Å; I252-L279 HydrophobicContact CG1-CD1 3.7Å; I252-L279 HydrophobicContact CG2-CD1 3.41Å; I252-L279 VanDerWaalsContact CG2-CD1 3.41Å; L279-S283 WeakPolarHBondContact O-CA 3.48Å; L279-S283 WeakPolarHBondContact O-CB 3.42Å; L279-N322 HydrophobicContact CB-CB 4.26Å; L279-N322 HydrophobicContact CD1-CB 3.87Å; L279-N322 HydrophobicContact CG-CB 4.24Å; L279-N322 PolarHBondContact N-O 2.82Å; L279-L324 HydrophobicContact CD2-CD2 4.14Å; L279-L324 HydrophobicContact CD2-CG 4.17Å
280	S	96.7	Very high	93.1	Very high	115 Å²	115	74.3 Å²	74.3	80%	0.804	39%	0.393	S	S	*	.	S	Bend	trans	-79.1	-33.6	163.6	57.4	0	0	0	0	112	S283	S280-S283 WeakPolarHBondContact O-CB 3.45Å
281	D	95.6	Very high	93.5	Very high	135 Å²	135	78.6 Å²	78.6	72%	0.722	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.3	127	178.4	-175	41.8	0	0	0	110.8
282	P	95.6	Very high	93.8	Very high	63 Å²	63	77.8 Å²	77.8	41%	0.409	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	cis	-69.9	120	-14.4	29.3	-33.3	0	0	0	110.4	N322	P282-N322 VanDerWaalsContact O-CB 3.25Å; P282-N322 WeakPolarHBondContact O-CB 3.39Å; P282-N322 PolarHBondContact O-ND2 3.34Å
283	S	96.7	Very high	94.3	Very high	56 Å²	56	73.9 Å²	73.9	39%	0.392	39%	0.387	S	S	.	.			trans	-74.5	-26.3	-174.8	56.1	0	0	0	0	114.6	L279 S280 N322	L279-S283 WeakPolarHBondContact O-CA 3.48Å; L279-S283 WeakPolarHBondContact O-CB 3.42Å; S280-S283 WeakPolarHBondContact O-CB 3.45Å; S283-N322 PolarHBondContact O-N 2.96Å
284	L	97.6	Very high	95.2	Very high	70 Å²	70	71.6 Å²	71.6	37%	0.366	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-125.8	141.4	-176	-59.4	176.4	0	0	0	111.7	Q320 K321 N322	L284-Q320 CarbonylContact C-O 3.59Å; L284-Q320 VanDerWaalsContact CA-O 3.3Å; L284-Q320 WeakPolarHBondContact CA-O 3.47Å; L284-Q320 HydrophobicContact CD2-CB 4.09Å; L284-K321 HydrophobicContact CD2-CG 4.47Å; L284-N322 PolarHBondContact O-ND2 3.38Å
285	A	96.5	Very high	96.1	Very high	17 Å²	17	68.2 Å²	68.2	14%	0.14	36%	0.358	C	S	.	.			trans	-91.3	141.5	163.4	0	0	0	0	0	110.1	F288 Q320 N322	A285-F288 HydrophobicContact CB-CE1 4.13Å; A285-F288 HydrophobicContact CB-CE2 4.26Å; A285-F288 HydrophobicContact CB-CZ 3.53Å; A285-F288 VanDerWaalsContact O-CE2 3.23Å; A285-F288 WeakPolarHBondContact O-CE2 3.43Å; A285-F288 WeakPolarHBondContact O-CZ 3.33Å; A285-Q320 PolarHBondContact N-O 3.41Å; A285-N322 VanDerWaalsContact CB-OD1 3.24Å; A285-N322 WeakPolarHBondContact CB-OD1 3.25Å; A285-N322 PolarHBondContact N-ND2 3.34Å; A285-N322 PolarHBondContact N-OD1 3.16Å
286	H	92.8	Very high	96.7	Very high	131 Å²	131	65.1 Å²	65.1	61%	0.606	34%	0.342	S	S	*	.			trans	-116.8	-14	-177.9	-58.4	-59.6	0	0	0	113.5
287	H	93.6	Very high	96.9	Very high	177 Å²	177	68.5 Å²	68.5	82%	0.819	36%	0.356	S	S	*	.			trans	-111.8	113.3	-174.1	-61.1	94.3	0	0	0	110.5
288	F	96.1	Very high	96.9	Very high	24 Å²	24	71.3 Å²	71.3	11%	0.105	37%	0.368	C	S	.	.			trans	-133.7	151.7	177	-55	-85.5	0	0	0	110.2	F256 A285 M290 L293 M316 Q320	F256-F288 HydrophobicContact CB-CD1 3.98Å; F256-F288 HydrophobicContact CB-CE1 3.68Å; F256-F288 AromaticContact CD1-CD1 3.89Å; F256-F288 HydrophobicContact CD1-CD1 3.89Å; F256-F288 HydrophobicContact CD1-CE1 4.4Å; F256-F288 HydrophobicContact CG-CD1 4Å; F256-F288 HydrophobicContact CG-CE1 4.22Å; A285-F288 HydrophobicContact CB-CE1 4.13Å; A285-F288 HydrophobicContact CB-CE2 4.26Å; A285-F288 HydrophobicContact CB-CZ 3.53Å; A285-F288 VanDerWaalsContact O-CE2 3.23Å; A285-F288 WeakPolarHBondContact O-CE2 3.43Å; A285-F288 WeakPolarHBondContact O-CZ 3.33Å; F288-M290 VanDerWaalsContact C-N 3.3Å; F288-M290 HydrophobicContact CB-SD 4.29Å; F288-M290 PolarHBondContact O-N 2.75Å; F288-L293 HydrophobicContact CB-CD1 3.78Å; F288-L293 HydrophobicContact CD1-CD1 4.14Å; F288-L293 HydrophobicContact CD2-CD1 4.23Å; F288-L293 HydrophobicContact CG-CD1 3.78Å; F288-M316 HydrophobicContact CD2-CE 3.79Å; F288-M316 HydrophobicContact CE2-CE 3.89Å; F288-Q320 HydrophobicContact CE2-CG 3.91Å; F288-Q320 HydrophobicContact CZ-CG 4.1Å
289	P	96.8	Very high	97	Very high	35 Å²	35	68.7 Å²	68.7	23%	0.227	36%	0.357	C	S	.	.			trans	-67.6	91.8	162.6	29.9	-34	0	0	0	109	W257 D291 Y292 L293 Y337	W257-P289 HydrophobicContact CH2-CG 4.32Å; W257-P289 HydrophobicContact CZ2-CG 3.8Å; P289-D291 VanDerWaalsContact C-N 3.28Å; P289-D291 PolarHBondContact O-N 2.88Å; P289-Y292 HydrophobicContact CG-CD1 3.85Å; P289-Y292 HydrophobicContact CG-CG 4.41Å; P289-Y292 WeakPolarHBondContact O-CB 3.43Å; P289-Y292 PolarHBondContact O-N 3.15Å; P289-L293 PolarHBondContact O-N 2.78Å; P289-Y337 HydrophobicContact CB-CE1 4.23Å; P289-Y337 WeakPolarHBondContact CB-OH 3.32Å; P289-Y337 HydrophobicContact CG-CE1 4.29Å
290	M	97	Very high	97.1	Very high	92 Å²	92	67.2 Å²	67.2	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-56.2	-40.3	-170.7	-70.1	-55.3	-59	0	0	112.9	F288 Y292 L293 E294	F288-M290 VanDerWaalsContact C-N 3.3Å; F288-M290 HydrophobicContact CB-SD 4.29Å; F288-M290 PolarHBondContact O-N 2.75Å; M290-Y292 VanDerWaalsContact C-N 3.3Å; M290-Y292 PolarHBondContact O-N 2.81Å; M290-L293 PolarHBondContact O-N 3.11Å; M290-E294 WeakPolarHBondContact O-CG 2.96Å; M290-E294 PolarHBondContact O-N 2.95Å
291	D	97.8	Very high	97.1	Very high	124 Å²	124	62.8 Å²	62.8	66%	0.663	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-38	177.7	-61.4	-21.8	0	0	0	112.6	P289 R295	P289-D291 VanDerWaalsContact C-N 3.28Å; P289-D291 PolarHBondContact O-N 2.88Å; D291-R295 WeakPolarHBondContact O-CG 3.46Å; D291-R295 PolarHBondContact O-N 3.29Å; D291-R295 PolarHBondContact O-NH1 3.31Å; D291-R295 VanDerWaalsContact O-NH1 3.11Å
292	Y	98.6	Very high	97.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-70.9	-43.1	175.3	174.2	-136.6	0	0	0	111	F256 W257 S261 P289 M290 E294 R295 V296 Y337 P445 M446	F256-Y292 AromaticContact CE1-CD1 3.87Å; F256-Y292 HydrophobicContact CE1-CD1 3.87Å; F256-Y292 AromaticContact CE1-CE1 3.78Å; F256-Y292 HydrophobicContact CE1-CE1 3.78Å; F256-Y292 AromaticContact CZ-CD1 3.63Å; F256-Y292 HydrophobicContact CZ-CD1 3.63Å; F256-Y292 AromaticContact CZ-CE1 3.58Å; F256-Y292 HydrophobicContact CZ-CE1 3.58Å; F256-Y292 HydrophobicContact CZ-CG 4.4Å; W257-Y292 AromaticContact CH2-CD1 3.92Å; W257-Y292 HydrophobicContact CH2-CD1 3.92Å; W257-Y292 AromaticContact CH2-CE1 3.74Å; W257-Y292 HydrophobicContact CH2-CE1 3.74Å; W257-Y292 HydrophobicContact CZ3-CD1 4.39Å; W257-Y292 AromaticContact CZ3-CE1 3.73Å; W257-Y292 HydrophobicContact CZ3-CE1 3.73Å; S261-Y292 WeakPolarHBondContact CB-OH 3.49Å; S261-Y292 PolarHBondContact O-OH 3.3Å; P289-Y292 HydrophobicContact CG-CD1 3.85Å; P289-Y292 HydrophobicContact CG-CG 4.41Å; P289-Y292 WeakPolarHBondContact O-CB 3.43Å; P289-Y292 PolarHBondContact O-N 3.15Å; M290-Y292 VanDerWaalsContact C-N 3.3Å; M290-Y292 PolarHBondContact O-N 2.81Å; Y292-E294 VanDerWaalsContact C-N 3.34Å; Y292-E294 PolarHBondContact O-N 3.13Å; Y292-R295 PolarHBondContact O-N 2.96Å; Y292-R295 VanDerWaalsContact O-N 3.15Å; Y292-V296 HydrophobicContact CD2-CG2 3.77Å; Y292-V296 HydrophobicContact CE1-CG2 4.23Å; Y292-V296 HydrophobicContact CE2-CG2 3.27Å; Y292-V296 HydrophobicContact CG-CG2 4.42Å; Y292-V296 WeakPolarHBondContact O-CG2 3.44Å; Y292-V296 PolarHBondContact O-N 3.05Å; Y292-Y337 AromaticContact CD1-CD2 3.64Å; Y292-Y337 HydrophobicContact CD1-CD2 3.64Å; Y292-Y337 AromaticContact CD1-CE2 3.63Å; Y292-Y337 HydrophobicContact CD1-CE2 3.63Å; Y292-Y337 HydrophobicContact CD1-CG 4.35Å; Y292-Y337 HydrophobicContact CD2-CD2 4.24Å; Y292-Y337 HydrophobicContact CD2-CE2 4.1Å; Y292-Y337 AromaticContact CE1-CD2 3.95Å; Y292-Y337 HydrophobicContact CE1-CD2 3.95Å; Y292-Y337 HydrophobicContact CE1-CE2 4.39Å; Y292-Y337 HydrophobicContact CE1-CG 4.49Å; Y292-Y337 HydrophobicContact CE2-CD2 4.49Å; Y292-Y337 AromaticContact CG-CD2 3.82Å; Y292-Y337 HydrophobicContact CG-CD2 3.82Å; Y292-Y337 AromaticContact CG-CE2 3.48Å; Y292-Y337 HydrophobicContact CG-CE2 3.48Å; Y292-Y337 VanDerWaalsContact CG-CE2 3.48Å; Y292-P445 HydrophobicContact CD2-CB 4.46Å; Y292-P445 WeakPolarHBondContact CD2-O 3.26Å; Y292-P445 HydrophobicContact CE2-CB 4.1Å; Y292-P445 HydrophobicContact CE2-CG 4.41Å; Y292-M446 HydrophobicContact CE2-CB 4.24Å; Y292-M446 HydrophobicContact CE2-CG 3.66Å; Y292-M446 WeakPolarHBondContact OH-CE 3.28Å; Y292-M446 WeakPolarHBondContact OH-CG 3.33Å
293	L	98.2	Very high	97.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-44.1	178.6	-173.8	151.9	0	0	0	111.8	F256 F288 P289 M290 R295 V296 K297 W314 M316	F256-L293 HydrophobicContact CD2-CD1 4.12Å; F256-L293 HydrophobicContact CD2-CG 4.2Å; F256-L293 HydrophobicContact CE2-CB 4.03Å; F256-L293 HydrophobicContact CE2-CD1 4.22Å; F256-L293 HydrophobicContact CE2-CG 3.89Å; F256-L293 HydrophobicContact CZ-CB 4.17Å; F256-L293 HydrophobicContact CZ-CG 4.49Å; F288-L293 HydrophobicContact CB-CD1 3.78Å; F288-L293 HydrophobicContact CD1-CD1 4.14Å; F288-L293 HydrophobicContact CD2-CD1 4.23Å; F288-L293 HydrophobicContact CG-CD1 3.78Å; P289-L293 PolarHBondContact O-N 2.78Å; M290-L293 PolarHBondContact O-N 3.11Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.16Å; L293-V296 PolarHBondContact O-N 3.07Å; L293-K297 WeakPolarHBondContact O-CB 3.45Å; L293-K297 PolarHBondContact O-N 3.04Å; L293-W314 HydrophobicContact CD1-CH2 4.29Å; L293-W314 HydrophobicContact CD2-CH2 3.8Å; L293-W314 HydrophobicContact CD2-CZ3 3.95Å; L293-W314 HydrophobicContact CG-CH2 4.01Å; L293-M316 HydrophobicContact CD1-CE 3.75Å; L293-M316 HydrophobicContact CD1-SD 3.69Å; L293-M316 HydrophobicContact CD2-SD 3.93Å; L293-M316 HydrophobicContact CG-SD 4.43Å
294	E	98.4	Very high	97.3	Very high	93 Å²	93	59.1 Å²	59.1	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-37.2	177	-69.9	-56.4	141.8	0	0	112.2	M290 Y292 K297 K298	M290-E294 WeakPolarHBondContact O-CG 2.96Å; M290-E294 PolarHBondContact O-N 2.95Å; Y292-E294 VanDerWaalsContact C-N 3.34Å; Y292-E294 PolarHBondContact O-N 3.13Å; E294-K297 PolarHBondContact O-N 3.32Å; E294-K298 WeakPolarHBondContact O-CB 3.45Å; E294-K298 PolarHBondContact O-N 3.12Å
295	R	98.5	Very high	97.2	Very high	76 Å²	76	60.6 Å²	60.6	29%	0.287	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-43.1	172.9	-69.6	-171	-56.6	-92.7	9.2	111.8	D291 Y292 L293 K298 V299 P445	D291-R295 WeakPolarHBondContact O-CG 3.46Å; D291-R295 PolarHBondContact O-N 3.29Å; D291-R295 PolarHBondContact O-NH1 3.31Å; D291-R295 VanDerWaalsContact O-NH1 3.11Å; Y292-R295 PolarHBondContact O-N 2.96Å; Y292-R295 VanDerWaalsContact O-N 3.15Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.16Å; R295-K298 PolarHBondContact O-N 3.21Å; R295-V299 VanDerWaalsContact O-CG2 3.28Å; R295-V299 WeakPolarHBondContact O-CG2 3.47Å; R295-V299 PolarHBondContact O-N 2.92Å; R295-P445 HydrophobicContact CB-CB 3.88Å; R295-P445 VanDerWaalsContact CZ-O 3.31Å; R295-P445 PolarHBondContact NE-O 3.37Å; R295-P445 PolarHBondContact NH2-O 2.9Å
296	V	98.6	Very high	97.2	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-51.8	175	171.2	0	0	0	0	110	F256 D260 Y292 L293 K298 V299 H300 P445	F256-V296 HydrophobicContact CE2-CB 4.06Å; F256-V296 HydrophobicContact CE2-CG1 4.02Å; F256-V296 HydrophobicContact CE2-CG2 4.13Å; F256-V296 HydrophobicContact CZ-CG2 4.16Å; D260-V296 HydrophobicContact CB-CG1 4.2Å; D260-V296 WeakPolarHBondContact O-CG1 3.35Å; Y292-V296 HydrophobicContact CD2-CG2 3.77Å; Y292-V296 HydrophobicContact CE1-CG2 4.23Å; Y292-V296 HydrophobicContact CE2-CG2 3.27Å; Y292-V296 HydrophobicContact CG-CG2 4.42Å; Y292-V296 WeakPolarHBondContact O-CG2 3.44Å; Y292-V296 PolarHBondContact O-N 3.05Å; L293-V296 PolarHBondContact O-N 3.07Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 3Å; V296-V299 PolarHBondContact O-N 3.16Å; V296-V299 VanDerWaalsContact O-N 3.17Å; V296-H300 VanDerWaalsContact CG1-CD2 3.45Å; V296-H300 WeakPolarHBondContact CG1-CD2 3.24Å; V296-H300 WeakPolarHBondContact O-CB 3.36Å; V296-H300 PolarHBondContact O-CD2 2.84Å; V296-H300 PolarHBondContact O-N 2.91Å; V296-P445 HydrophobicContact CG2-CB 4.43Å
297	K	98.6	Very high	97.4	Very high	74 Å²	74	59.4 Å²	59.4	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-49.9	-52.2	177.2	177.9	-179.7	-179.7	-176.5	0	111.1	L293 E294 H300 S301 W314	L293-K297 WeakPolarHBondContact O-CB 3.45Å; L293-K297 PolarHBondContact O-N 3.04Å; E294-K297 PolarHBondContact O-N 3.32Å; K297-H300 PolarHBondContact O-N 2.73Å; K297-S301 PolarHBondContact O-N 2.97Å; K297-S301 PolarHBondContact O-OG 3.43Å; K297-W314 HydrophobicContact CB-CD2 4.04Å; K297-W314 HydrophobicContact CB-CE3 3.88Å; K297-W314 HydrophobicContact CB-CG 4.4Å; K297-W314 HydrophobicContact CB-CZ3 4.34Å; K297-W314 HydrophobicContact CD-CE3 3.83Å; K297-W314 HydrophobicContact CD-CZ3 4.3Å; K297-W314 HydrophobicContact CG-CB 4.03Å; K297-W314 HydrophobicContact CG-CD2 3.95Å; K297-W314 HydrophobicContact CG-CE3 3.61Å; K297-W314 HydrophobicContact CG-CG 4.14Å; K297-W314 HydrophobicContact CG-CZ3 4.37Å
298	K	98.5	Very high	97.6	Very high	119 Å²	119	57.2 Å²	57.2	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-49	179.1	-177.1	180	179.6	-179.5	0	112.6	E294 R295 V296 H300 S301 E302 G303	E294-K298 WeakPolarHBondContact O-CB 3.45Å; E294-K298 PolarHBondContact O-N 3.12Å; R295-K298 PolarHBondContact O-N 3.21Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 3Å; K298-H300 VanDerWaalsContact C-N 3.32Å; K298-H300 PolarHBondContact O-N 2.82Å; K298-S301 PolarHBondContact O-N 3.32Å; K298-S301 PolarHBondContact O-OG 2.88Å; K298-E302 PolarHBondContact O-N 2.66Å; K298-G303 PolarHBondContact O-N 3.24Å; K298-G303 VanDerWaalsContact O-N 3.16Å
299	V	98.3	Very high	97.7	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-36.6	-178.4	174.4	0	0	0	0	111.7	F263 R295 V296 G303 Y305 G309 E441 P445	F263-V299 HydrophobicContact CD2-CG1 4.15Å; F263-V299 HydrophobicContact CE2-CG1 3.75Å; R295-V299 VanDerWaalsContact O-CG2 3.28Å; R295-V299 WeakPolarHBondContact O-CG2 3.47Å; R295-V299 PolarHBondContact O-N 2.92Å; V296-V299 PolarHBondContact O-N 3.16Å; V296-V299 VanDerWaalsContact O-N 3.17Å; V299-G303 WeakPolarHBondContact O-CA 3.43Å; V299-G303 PolarHBondContact O-N 3.46Å; V299-Y305 HydrophobicContact CG2-CD2 3.42Å; V299-Y305 VanDerWaalsContact CG2-CD2 3.42Å; V299-Y305 HydrophobicContact CG2-CE2 3.37Å; V299-G309 WeakPolarHBondContact O-CA 3.44Å; V299-E441 HydrophobicContact CG1-CB 3.79Å; V299-E441 HydrophobicContact CG1-CG 4.17Å; V299-P445 HydrophobicContact CG2-CB 4.45Å
300	H	98.4	Very high	97.7	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-45.8	174.8	-87	-105.9	0	0	0	112.5	D260 F263 Q264 V296 K297 K298 Y310 Y312 W314	D260-H300 PolarHBondContact O-NE2 2.94Å; F263-H300 WeakPolarHBondContact CA-NE2 3.2Å; F263-H300 AromaticContact CD2-CD2 3.75Å; F263-H300 AromaticContact CD2-NE2 3.72Å; Q264-H300 PolarHBondContact O-CE1 2.88Å; V296-H300 VanDerWaalsContact CG1-CD2 3.45Å; V296-H300 WeakPolarHBondContact CG1-CD2 3.24Å; V296-H300 WeakPolarHBondContact O-CB 3.36Å; V296-H300 PolarHBondContact O-CD2 2.84Å; V296-H300 PolarHBondContact O-N 2.91Å; K297-H300 PolarHBondContact O-N 2.73Å; K298-H300 VanDerWaalsContact C-N 3.32Å; K298-H300 PolarHBondContact O-N 2.82Å; H300-Y310 AromaticContact ND1-CD2 3.88Å; H300-Y310 WeakPolarHBondContact O-CB 3.39Å; H300-Y310 PolarHBondContact O-N 3.2Å; H300-Y312 HydrophobicContact CB-CE1 4.21Å; H300-Y312 PolarHBondContact ND1-OH 3.38Å; H300-W314 HydrophobicContact CB-CG 4.47Å; H300-W314 AromaticContact CG-CD1 3.93Å
301	S	97.5	Very high	97.8	Very high	22 Å²	22	60.8 Å²	60.8	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-83.4	-58	-174.1	59.4	0	0	0	0	112.9	K297 K298 K311 Y312	K297-S301 PolarHBondContact O-N 2.97Å; K297-S301 PolarHBondContact O-OG 3.43Å; K298-S301 PolarHBondContact O-N 3.32Å; K298-S301 PolarHBondContact O-OG 2.88Å; S301-K311 WeakPolarHBondContact O-CA 3.28Å; S301-K311 PolarHBondContact O-N 3.24Å; S301-Y312 VanDerWaalsContact CA-O 3.28Å; S301-Y312 WeakPolarHBondContact CA-O 3.22Å; S301-Y312 WeakPolarHBondContact CB-O 3.25Å
302	E	97.9	Very high	97.7	Very high	147 Å²	147	56.6 Å²	56.6	69%	0.687	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-18.9	-169.8	-65.6	169.2	-160.2	0	0	112.7	K298	K298-E302 PolarHBondContact O-N 2.66Å
303	G	97	Very high	97.7	Very high	6 Å²	6	62.4 Å²	62.4	6%	0.062	32%	0.324	C	S	.	.			trans	87.6	-174.9	-169.5	0	0	0	0	0	113	K298 V299 S307 G309	K298-G303 PolarHBondContact O-N 3.24Å; K298-G303 VanDerWaalsContact O-N 3.16Å; V299-G303 WeakPolarHBondContact O-CA 3.43Å; V299-G303 PolarHBondContact O-N 3.46Å; G303-S307 WeakPolarHBondContact CA-O 3.25Å; G303-G309 VanDerWaalsContact CA-N 3.32Å
304	G	96.8	Very high	97.7	Very high	25 Å²	25	62.7 Å²	62.7	26%	0.258	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	152.7	165	-170.9	0	0	0	0	0	110.8	G306 S307	G304-G306 PolarHBondContact O-N 2.92Å; G304-S307 PolarHBondContact N-O 3.48Å; G304-S307 WeakPolarHBondContact O-CB 3.34Å; G304-S307 PolarHBondContact O-N 3.12Å
305	Y	96.4	Very high	97.7	Very high	101 Å²	101	63.4 Å²	63.4	40%	0.396	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	37.8	176.2	-52.9	-73.5	0	0	0	114.1	V299 S307 L444 P445	V299-Y305 HydrophobicContact CG2-CD2 3.42Å; V299-Y305 VanDerWaalsContact CG2-CD2 3.42Å; V299-Y305 HydrophobicContact CG2-CE2 3.37Å; Y305-S307 VanDerWaalsContact C-N 3.3Å; Y305-S307 PolarHBondContact O-N 3.04Å; Y305-L444 HydrophobicContact CD1-CB 3.58Å; Y305-L444 HydrophobicContact CD1-CD1 4.03Å; Y305-L444 HydrophobicContact CD1-CG 4.39Å; Y305-L444 HydrophobicContact CD2-CB 4.09Å; Y305-L444 HydrophobicContact CE1-CB 3.91Å; Y305-L444 HydrophobicContact CE2-CB 4.4Å; Y305-L444 HydrophobicContact CG-CB 3.67Å; Y305-L444 HydrophobicContact CG-CD1 4.01Å; Y305-L444 HydrophobicContact CG-CG 4.49Å; Y305-P445 HydrophobicContact CE2-CB 4.03Å; Y305-P445 HydrophobicContact CE2-CG 4.48Å
306	G	95.7	Very high	97.6	Very high	91 Å²	91	62 Å²	62	94%	0.938	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-8.4	-177.3	0	0	0	0	0	115.2	G304	G304-G306 PolarHBondContact O-N 2.92Å
307	S	97.2	Very high	97.6	Very high	31 Å²	31	67.4 Å²	67.4	22%	0.217	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-97.4	154.8	177.8	-167	0	0	0	0	113.1	G303 G304 Y305 G309 E441	G303-S307 WeakPolarHBondContact CA-O 3.25Å; G304-S307 PolarHBondContact N-O 3.48Å; G304-S307 WeakPolarHBondContact O-CB 3.34Å; G304-S307 PolarHBondContact O-N 3.12Å; Y305-S307 VanDerWaalsContact C-N 3.3Å; Y305-S307 PolarHBondContact O-N 3.04Å; S307-G309 VanDerWaalsContact C-N 3.32Å; S307-G309 PolarHBondContact OG-N 3.37Å; S307-E441 WeakPolarHBondContact CB-OE1 3.46Å; S307-E441 WeakPolarHBondContact OG-CG 3.29Å; S307-E441 PolarHBondContact OG-OE1 2.97Å
308	Q	97.8	Very high	97.5	Very high	131 Å²	131	66.7 Å²	66.7	61%	0.612	35%	0.346	S	S	*	.			trans	-88.2	-0.5	175	-58.9	-169.6	-1	0	0	113.5
309	G	97.3	Very high	97.4	Very high	17 Å²	17	61 Å²	61	18%	0.175	32%	0.321	C	S	.	.			trans	63.8	-170	-172.5	0	0	0	0	0	112.6	V299 G303 S307	V299-G309 WeakPolarHBondContact O-CA 3.44Å; G303-G309 VanDerWaalsContact CA-N 3.32Å; S307-G309 VanDerWaalsContact C-N 3.32Å; S307-G309 PolarHBondContact OG-N 3.37Å
310	Y	97.9	Very high	97.4	Very high	64 Å²	64	63.1 Å²	63.1	25%	0.251	33%	0.331	S	S	.	.			trans	-94.1	-5.2	177.7	-69.7	-69.9	0	0	0	113.5	F263 P265 H300 Y312	F263-Y310 AromaticContact CD1-CE2 3.75Å; F263-Y310 HydrophobicContact CD1-CE2 3.75Å; F263-Y310 AromaticContact CD1-CZ 3.93Å; F263-Y310 HydrophobicContact CD2-CD2 4.48Å; F263-Y310 AromaticContact CD2-CE2 3.89Å; F263-Y310 HydrophobicContact CD2-CE2 3.89Å; F263-Y310 HydrophobicContact CE1-CD2 4.31Å; F263-Y310 AromaticContact CE1-CE2 3.5Å; F263-Y310 HydrophobicContact CE1-CE2 3.5Å; F263-Y310 VanDerWaalsContact CE1-CE2 3.5Å; F263-Y310 AromaticContact CE1-CZ 3.64Å; F263-Y310 AromaticContact CE2-CD2 3.87Å; F263-Y310 HydrophobicContact CE2-CD2 3.87Å; F263-Y310 AromaticContact CE2-CE2 3.61Å; F263-Y310 HydrophobicContact CE2-CE2 3.61Å; F263-Y310 AromaticContact CG-CE2 3.96Å; F263-Y310 HydrophobicContact CG-CE2 3.96Å; F263-Y310 AromaticContact CZ-CD2 3.8Å; F263-Y310 HydrophobicContact CZ-CD2 3.8Å; F263-Y310 AromaticContact CZ-CE2 3.42Å; F263-Y310 HydrophobicContact CZ-CE2 3.42Å; F263-Y310 VanDerWaalsContact CZ-CE2 3.42Å; F263-Y310 AromaticContact CZ-CZ 3.99Å; F263-Y310 VanDerWaalsContact O-CE2 3.24Å; F263-Y310 WeakPolarHBondContact O-CE2 3.14Å; F263-Y310 PolarHBondContact O-OH 3.39Å; P265-Y310 HydrophobicContact CB-CD1 4.22Å; P265-Y310 HydrophobicContact CB-CD2 3.97Å; P265-Y310 HydrophobicContact CB-CE1 4.31Å; P265-Y310 HydrophobicContact CB-CE2 4.07Å; P265-Y310 HydrophobicContact CB-CG 4.05Å; P265-Y310 HydrophobicContact CG-CD1 4.32Å; P265-Y310 HydrophobicContact CG-CE1 4.01Å; P265-Y310 HydrophobicContact CG-CE2 4.31Å; H300-Y310 AromaticContact ND1-CD2 3.88Å; H300-Y310 WeakPolarHBondContact O-CB 3.39Å; H300-Y310 PolarHBondContact O-N 3.2Å; Y310-Y312 HydrophobicContact CD2-CE1 4.19Å; Y310-Y312 HydrophobicContact CG-CD1 4.47Å; Y310-Y312 HydrophobicContact CG-CE1 4.23Å; Y310-Y312 PolarHBondContact O-N 2.92Å
311	K	97.6	Very high	97.4	Very high	145 Å²	145	66 Å²	66	63%	0.63	34%	0.344	S	S	*	.			trans	56.8	45.9	175	-56	-175.7	-173.9	172.6	0	113.6	S301	S301-K311 WeakPolarHBondContact O-CA 3.28Å; S301-K311 PolarHBondContact O-N 3.24Å
312	Y	97.4	Very high	97.5	Very high	37 Å²	37	65.7 Å²	65.7	15%	0.145	34%	0.34	C	S	.	.	S	Bend	trans	-132.2	166.4	174.6	78.2	-80.5	0	0	0	111.5	P265 Q266 H300 S301 Y310 W314	P265-Y312 HydrophobicContact CB-CE1 4.27Å; Q266-Y312 HydrophobicContact CB-CE2 3.78Å; Q266-Y312 HydrophobicContact CG-CE2 4.11Å; Q266-Y312 WeakPolarHBondContact CG-OH 3.4Å; Q266-Y312 PolarHBondContact N-OH 2.82Å; Q266-Y312 VanDerWaalsContact N-OH 3.13Å; H300-Y312 HydrophobicContact CB-CE1 4.21Å; H300-Y312 PolarHBondContact ND1-OH 3.38Å; S301-Y312 VanDerWaalsContact CA-O 3.28Å; S301-Y312 WeakPolarHBondContact CA-O 3.22Å; S301-Y312 WeakPolarHBondContact CB-O 3.25Å; Y310-Y312 HydrophobicContact CD2-CE1 4.19Å; Y310-Y312 HydrophobicContact CG-CD1 4.47Å; Y310-Y312 HydrophobicContact CG-CE1 4.23Å; Y310-Y312 PolarHBondContact O-N 2.92Å; Y312-W314 HydrophobicContact CE2-CB 4.18Å; Y312-W314 PolarHBondContact O-N 3.04Å; Y312-W314 VanDerWaalsContact OH-CD1 3.29Å
313	D	97.6	Very high	97.5	Very high	122 Å²	122	58.7 Å²	58.7	65%	0.652	31%	0.307	S	S	*	.			trans	-80.8	108.6	175.2	-176.8	34.6	0	0	0	110.6
314	W	98.4	Very high	97.5	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.027	31%	0.314	C	S	.	.			trans	-79.5	124.3	-179.8	-174.4	104.1	0	0	0	110.5	F256 D260 Q266 L293 K297 H300 Y312 M316 A319	F256-W314 HydrophobicContact CD2-CZ2 4.34Å; D260-W314 HydrophobicContact CB-CZ2 4.25Å; D260-W314 PolarHBondContact OD1-NE1 3.15Å; Q266-W314 VanDerWaalsContact NE2-NE1 3.16Å; L293-W314 HydrophobicContact CD1-CH2 4.29Å; L293-W314 HydrophobicContact CD2-CH2 3.8Å; L293-W314 HydrophobicContact CD2-CZ3 3.95Å; L293-W314 HydrophobicContact CG-CH2 4.01Å; K297-W314 HydrophobicContact CB-CD2 4.04Å; K297-W314 HydrophobicContact CB-CE3 3.88Å; K297-W314 HydrophobicContact CB-CG 4.4Å; K297-W314 HydrophobicContact CB-CZ3 4.34Å; K297-W314 HydrophobicContact CD-CE3 3.83Å; K297-W314 HydrophobicContact CD-CZ3 4.3Å; K297-W314 HydrophobicContact CG-CB 4.03Å; K297-W314 HydrophobicContact CG-CD2 3.95Å; K297-W314 HydrophobicContact CG-CE3 3.61Å; K297-W314 HydrophobicContact CG-CG 4.14Å; K297-W314 HydrophobicContact CG-CZ3 4.37Å; H300-W314 HydrophobicContact CB-CG 4.47Å; H300-W314 AromaticContact CG-CD1 3.93Å; Y312-W314 HydrophobicContact CE2-CB 4.18Å; Y312-W314 PolarHBondContact O-N 3.04Å; Y312-W314 VanDerWaalsContact OH-CD1 3.29Å; W314-M316 HydrophobicContact CH2-SD 3.94Å; W314-M316 VanDerWaalsContact CZ3-CA 3.46Å; W314-M316 HydrophobicContact CZ3-CB 4.01Å; W314-M316 HydrophobicContact CZ3-SD 4.03Å; W314-A319 HydrophobicContact CH2-CB 3.36Å; W314-A319 HydrophobicContact CZ2-CB 3.36Å; W314-A319 HydrophobicContact CZ3-CB 4.44Å
315	K	98.3	Very high	97.6	Very high	107 Å²	107	59.1 Å²	59.1	47%	0.465	30%	0.302	S	S	.	.			trans	-103.8	127.3	-173	-63.6	-173.6	-179.5	-178.6	0	111.8	Q266 E317 E318	Q266-K315 PolarHBondContact NE2-O 3.47Å; K315-E317 VanDerWaalsContact C-N 3.28Å; K315-E317 PolarHBondContact O-N 2.92Å; K315-E318 HydrophobicContact CB-CB 4.43Å; K315-E318 HydrophobicContact CB-CG 4.06Å; K315-E318 PolarHBondContact O-N 3.34Å
316	M	97.1	Very high	97.6	Very high	47 Å²	47	54.7 Å²	54.7	23%	0.232	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-35.7	178.3	-179.5	58.5	173.3	0	0	111.6	F288 L293 W314 E318 A319 Q320	F288-M316 HydrophobicContact CD2-CE 3.79Å; F288-M316 HydrophobicContact CE2-CE 3.89Å; L293-M316 HydrophobicContact CD1-CE 3.75Å; L293-M316 HydrophobicContact CD1-SD 3.69Å; L293-M316 HydrophobicContact CD2-SD 3.93Å; L293-M316 HydrophobicContact CG-SD 4.43Å; W314-M316 HydrophobicContact CH2-SD 3.94Å; W314-M316 VanDerWaalsContact CZ3-CA 3.46Å; W314-M316 HydrophobicContact CZ3-CB 4.01Å; W314-M316 HydrophobicContact CZ3-SD 4.03Å; M316-E318 PolarHBondContact O-N 2.94Å; M316-A319 WeakPolarHBondContact O-CB 3.47Å; M316-A319 PolarHBondContact O-N 3.35Å; M316-A319 VanDerWaalsContact O-N 3.07Å; M316-Q320 HydrophobicContact CE-CG 3.9Å; M316-Q320 HydrophobicContact CG-CG 4.22Å; M316-Q320 WeakPolarHBondContact O-CG 3.44Å; M316-Q320 PolarHBondContact O-N 3.47Å; M316-Q320 HydrophobicContact SD-CG 4.28Å
317	E	97.2	Very high	97.6	Very high	116 Å²	116	51.1 Å²	51.1	54%	0.542	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-33.2	-177.9	-57.4	75.6	-164.9	0	0	111.5	K315	K315-E317 VanDerWaalsContact C-N 3.28Å; K315-E317 PolarHBondContact O-N 2.92Å
318	E	97	Very high	97.7	Very high	59 Å²	59	49.6 Å²	49.6	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-72.7	-36	176	-68	-55.7	138.1	0	0	112.4	S255 Q266 K315 M316 Q320 K321	S255-E318 WeakPolarHBondContact CB-O 3.26Å; Q266-E318 HydrophobicContact CG-CB 4.35Å; K315-E318 HydrophobicContact CB-CB 4.43Å; K315-E318 HydrophobicContact CB-CG 4.06Å; K315-E318 PolarHBondContact O-N 3.34Å; M316-E318 PolarHBondContact O-N 2.94Å; E318-Q320 VanDerWaalsContact C-N 3.34Å; E318-K321 IonicContact OE1-NZ 3.13Å; E318-K321 PolarHBondContact OE1-NZ 2.91Å; E318-K321 WeakPolarHBondContact OE2-CE 3.36Å; E318-K321 IonicContact OE2-NZ 3.49Å; E318-K321 PolarHBondContact OE2-NZ 2.91Å
319	A	97.6	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.5	-28.4	178.4	0	0	0	0	0	112.5	F256 D260 W314 M316	F256-A319 HydrophobicContact CB-CB 4.06Å; F256-A319 HydrophobicContact CD2-CB 4.48Å; F256-A319 PolarHBondContact N-O 3.14Å; D260-A319 WeakPolarHBondContact OD2-CB 3.17Å; W314-A319 HydrophobicContact CH2-CB 3.36Å; W314-A319 HydrophobicContact CZ2-CB 3.36Å; W314-A319 HydrophobicContact CZ3-CB 4.44Å; M316-A319 WeakPolarHBondContact O-CB 3.47Å; M316-A319 PolarHBondContact O-N 3.35Å; M316-A319 VanDerWaalsContact O-N 3.07Å
320	Q	98.1	Very high	97.7	Very high	47 Å²	47	42.7 Å²	42.7	22%	0.22	20%	0.197	C	C	.	.	H	α-helix	trans	-72.7	-24.2	178.8	-74.7	-178.9	-45.9	0	0	113.9	L284 A285 F288 M316 E318 N322	L284-Q320 CarbonylContact C-O 3.59Å; L284-Q320 VanDerWaalsContact CA-O 3.3Å; L284-Q320 WeakPolarHBondContact CA-O 3.47Å; L284-Q320 HydrophobicContact CD2-CB 4.09Å; A285-Q320 PolarHBondContact N-O 3.41Å; F288-Q320 HydrophobicContact CE2-CG 3.91Å; F288-Q320 HydrophobicContact CZ-CG 4.1Å; M316-Q320 HydrophobicContact CE-CG 3.9Å; M316-Q320 HydrophobicContact CG-CG 4.22Å; M316-Q320 WeakPolarHBondContact O-CG 3.44Å; M316-Q320 PolarHBondContact O-N 3.47Å; M316-Q320 HydrophobicContact SD-CG 4.28Å; E318-Q320 VanDerWaalsContact C-N 3.34Å; Q320-N322 PolarHBondContact O-N 2.95Å
321	K	98.3	Very high	97.7	Very high	65 Å²	65	39.8 Å²	39.8	28%	0.283	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-60.1	124.6	-178.4	-68.7	174.2	-171.8	171.4	0	111.2	S255 F278 L284 E318	S255-K321 VanDerWaalsContact CB-O 3.27Å; S255-K321 WeakPolarHBondContact CB-O 3.24Å; S255-K321 PolarHBondContact N-O 3.29Å; S255-K321 PolarHBondContact OG-O 2.97Å; F278-K321 HydrophobicContact CD1-CB 4.02Å; F278-K321 HydrophobicContact CD1-CD 4.16Å; F278-K321 HydrophobicContact CE1-CB 3.95Å; F278-K321 HydrophobicContact CE1-CD 3.83Å; L284-K321 HydrophobicContact CD2-CG 4.47Å; E318-K321 IonicContact OE1-NZ 3.13Å; E318-K321 PolarHBondContact OE1-NZ 2.91Å; E318-K321 WeakPolarHBondContact OE2-CE 3.36Å; E318-K321 IonicContact OE2-NZ 3.49Å; E318-K321 PolarHBondContact OE2-NZ 2.91Å
322	N	98.4	Very high	97.8	Very high	14 Å²	14	33 Å²	33	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	143.4	170.5	-73.8	-29.1	0	0	0	110.9	I252 L279 P282 S283 L284 A285 Q320	I252-N322 HydrophobicContact CG2-CB 4.03Å; L279-N322 HydrophobicContact CB-CB 4.26Å; L279-N322 HydrophobicContact CD1-CB 3.87Å; L279-N322 HydrophobicContact CG-CB 4.24Å; L279-N322 PolarHBondContact N-O 2.82Å; P282-N322 VanDerWaalsContact O-CB 3.25Å; P282-N322 WeakPolarHBondContact O-CB 3.39Å; P282-N322 PolarHBondContact O-ND2 3.34Å; S283-N322 PolarHBondContact O-N 2.96Å; L284-N322 PolarHBondContact O-ND2 3.38Å; A285-N322 VanDerWaalsContact CB-OD1 3.24Å; A285-N322 WeakPolarHBondContact CB-OD1 3.25Å; A285-N322 PolarHBondContact N-ND2 3.34Å; A285-N322 PolarHBondContact N-OD1 3.16Å; Q320-N322 PolarHBondContact O-N 2.95Å
323	I	98.1	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	165.6	179.5	62.5	172.9	0	0	0	109.6	I252 E253 N258 F259 T276 F277 F278 T326	I252-I323 WeakPolarHBondContact CA-O 3.47Å; E253-I323 PolarHBondContact N-O 3.12Å; E253-I323 WeakPolarHBondContact O-CG1 3.28Å; E253-I323 PolarHBondContact O-N 3.5Å; N258-I323 HydrophobicContact CB-CD1 3.66Å; N258-I323 HydrophobicContact CB-CG1 4.45Å; F259-I323 HydrophobicContact CD2-CD1 4.2Å; F259-I323 HydrophobicContact CE2-CD1 3.43Å; F259-I323 VanDerWaalsContact CE2-CD1 3.43Å; F259-I323 HydrophobicContact CZ-CD1 3.87Å; T276-I323 HydrophobicContact CG2-CB 3.8Å; T276-I323 HydrophobicContact CG2-CD1 3.85Å; T276-I323 HydrophobicContact CG2-CG1 4.44Å; T276-I323 HydrophobicContact CG2-CG2 3.67Å; F277-I323 CarbonylContact O-C 3.53Å; F277-I323 VanDerWaalsContact O-CA 3.27Å; F277-I323 WeakPolarHBondContact O-CA 3.47Å; F277-I323 WeakPolarHBondContact O-CB 3.21Å; F278-I323 HydrophobicContact CD1-CG2 3.44Å; F278-I323 VanDerWaalsContact CD1-CG2 3.44Å; F278-I323 HydrophobicContact CE1-CG2 3.52Å; F278-I323 HydrophobicContact CG-CG2 4Å; F278-I323 HydrophobicContact CZ-CG2 4.14Å; I323-T326 HydrophobicContact CD1-CG2 4.3Å
324	L	98.2	Very high	97.8	Very high	40 Å²	40	29.2 Å²	29.2	21%	0.209	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.9	156.6	-63.2	178	0	0	0	108.5	F251 I252 F277 L279 T326 F357	F251-L324 WeakPolarHBondContact O-CA 3.42Å; I252-L324 HydrophobicContact CG1-CD2 4.35Å; F277-L324 HydrophobicContact CB-CB 4.2Å; F277-L324 HydrophobicContact CB-CD1 3.98Å; F277-L324 HydrophobicContact CB-CG 4.24Å; F277-L324 HydrophobicContact CD2-CD1 4.35Å; F277-L324 HydrophobicContact CG-CD1 4.39Å; F277-L324 PolarHBondContact O-N 2.68Å; L279-L324 HydrophobicContact CD2-CD2 4.14Å; L279-L324 HydrophobicContact CD2-CG 4.17Å; L324-T326 PolarHBondContact O-N 2.6Å; L324-F357 HydrophobicContact CB-CB 3.62Å; L324-F357 HydrophobicContact CB-CD2 3.73Å; L324-F357 HydrophobicContact CB-CG 3.73Å; L324-F357 HydrophobicContact CD1-CB 4.12Å; L324-F357 HydrophobicContact CD1-CD1 3.95Å; L324-F357 HydrophobicContact CD1-CD2 4.47Å; L324-F357 HydrophobicContact CD1-CG 3.93Å; L324-F357 HydrophobicContact CG-CD2 4.49Å; L324-F357 HydrophobicContact CG-CG 4.37Å
325	R	97.7	Very high	97.8	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	14%	0.138	C	C	.	.			trans	-55.3	132.9	-176.5	69.2	-177.9	174.6	-164.3	1.6	111.4	T248 N250 F251 E253 D354 R355 F357	T248-R325 PolarHBondContact O-NH1 2.7Å; N250-R325 WeakPolarHBondContact O-CD 3.27Å; N250-R325 PolarHBondContact O-NH1 2.9Å; F251-R325 PolarHBondContact O-N 3.34Å; E253-R325 HydrophobicContact CB-CB 4.05Å; R325-D354 IonicContact CZ-OD2 2.74Å; R325-D354 IonicContact NH1-OD2 3.82Å; R325-D354 PolarHBondContact NH1-OD2 2.61Å; R325-D354 IonicContact NH2-OD1 3.62Å; R325-D354 PolarHBondContact NH2-OD1 3.22Å; R325-D354 IonicContact NH2-OD2 3.09Å; R325-D354 PolarHBondContact NH2-OD2 3.33Å; R325-R355 PolarHBondContact NE-O 3.21Å; R325-R355 PolarHBondContact NH2-O 3.16Å; R325-F357 HydrophobicContact CG-CD2 4.31Å; R325-F357 PolarHBondContact O-N 3.35Å
326	T	96.9	Very high	97.8	Very high	7 Å²	7	25 Å²	25	4%	0.043	12%	0.116	C	C	.	.	S	Bend	trans	-94.7	-17.3	-174.1	61.6	0	0	0	0	113.5	N258 F259 T276 I323 L324 F357 R358	N258-T326 PolarHBondContact ND2-OG1 2.86Å; N258-T326 PolarHBondContact OD1-N 3.13Å; F259-T326 HydrophobicContact CZ-CG2 4.08Å; T276-T326 HydrophobicContact CG2-CG2 3.78Å; T276-T326 WeakPolarHBondContact OG1-CG2 3.47Å; I323-T326 HydrophobicContact CD1-CG2 4.3Å; L324-T326 PolarHBondContact O-N 2.6Å; T326-F357 WeakPolarHBondContact CA-O 3.47Å; T326-R358 PolarHBondContact O-NE 2.84Å
327	H	96.8	Very high	97.9	Very high	16 Å²	16	24.6 Å²	24.6	7%	0.074	11%	0.112	C	C	.	.	S	Bend	trans	-159.8	154.6	177.9	38.6	70.6	0	0	0	110.5	N258 T329	N258-H327 PolarHBondContact O-CE1 3.05Å; H327-T329 PolarHBondContact O-N 2.82Å
328	T	97.9	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.9	178.8	44.1	0	0	0	0	113.4	A330 V331 S332 D354 V356 Q372 E374	T328-A330 PolarHBondContact O-N 3.25Å; T328-A330 VanDerWaalsContact O-N 3.13Å; T328-V331 WeakPolarHBondContact O-CA 3.46Å; T328-V331 VanDerWaalsContact O-CB 3.23Å; T328-V331 WeakPolarHBondContact O-CB 3.22Å; T328-V331 PolarHBondContact O-N 2.8Å; T328-S332 PolarHBondContact O-N 3.27Å; T328-D354 HydrophobicContact CG2-CB 4.35Å; T328-V356 HydrophobicContact CG2-CG1 3.91Å; T328-Q372 HydrophobicContact CG2-CB 4.23Å; T328-Q372 WeakPolarHBondContact OG1-CG 3.27Å; T328-Q372 PolarHBondContact OG1-NE2 2.94Å; T328-E374 WeakPolarHBondContact OG1-CB 3.44Å; T328-E374 PolarHBondContact OG1-OE2 3.29Å
329	T	98	Very high	98	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-59.2	-26	176	-37.3	0	0	0	0	113.2	L262 H327 V331 S332 A333 E374 Y412 F438	L262-T329 HydrophobicContact CD1-CG2 3.91Å; L262-T329 HydrophobicContact CD2-CG2 3.86Å; H327-T329 PolarHBondContact O-N 2.82Å; T329-V331 VanDerWaalsContact C-N 3.29Å; T329-V331 PolarHBondContact O-N 2.83Å; T329-S332 WeakPolarHBondContact O-CB 3.38Å; T329-S332 PolarHBondContact O-N 3.35Å; T329-A333 PolarHBondContact O-N 3.05Å; T329-E374 VanDerWaalsContact CA-OE1 3.24Å; T329-E374 WeakPolarHBondContact CA-OE1 3.48Å; T329-E374 VanDerWaalsContact CA-OE2 3.31Å; T329-E374 WeakPolarHBondContact CA-OE2 3.22Å; T329-E374 WeakPolarHBondContact CB-OE2 3.46Å; T329-E374 PolarHBondContact N-OE2 3.46Å; T329-E374 PolarHBondContact OG1-OE2 2.98Å; T329-Y412 HydrophobicContact CG2-CD2 4.36Å; T329-Y412 HydrophobicContact CG2-CE2 4.09Å; T329-F438 HydrophobicContact CG2-CE1 3.91Å; T329-F438 HydrophobicContact CG2-CZ 3.87Å
330	A	97.7	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.5	-36.6	171.3	0	0	0	0	0	112.4	E253 N258 T328 A333 R334	E253-A330 HydrophobicContact CG-CB 4.06Å; N258-A330 HydrophobicContact CB-CB 4.29Å; T328-A330 PolarHBondContact O-N 3.25Å; T328-A330 VanDerWaalsContact O-N 3.13Å; A330-A333 PolarHBondContact O-N 3.03Å; A330-R334 PolarHBondContact O-N 3Å; A330-R334 VanDerWaalsContact O-N 3.14Å
331	V	98.2	Very high	98	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-66.8	-42.8	175.1	-177.8	0	0	0	0	109.7	M246 P247 T248 T328 T329 A333 R334 M335	M246-V331 HydrophobicContact CB-CG1 4.07Å; M246-V331 HydrophobicContact SD-CG1 4.4Å; P247-V331 WeakPolarHBondContact O-CG1 3.25Å; T248-V331 HydrophobicContact CG2-CG1 4.06Å; T248-V331 HydrophobicContact CG2-CG2 4.2Å; T328-V331 WeakPolarHBondContact O-CA 3.46Å; T328-V331 VanDerWaalsContact O-CB 3.23Å; T328-V331 WeakPolarHBondContact O-CB 3.22Å; T328-V331 PolarHBondContact O-N 2.8Å; T329-V331 VanDerWaalsContact C-N 3.29Å; T329-V331 PolarHBondContact O-N 2.83Å; V331-A333 VanDerWaalsContact C-N 3.34Å; V331-A333 PolarHBondContact O-N 3.47Å; V331-R334 WeakPolarHBondContact O-CB 2.99Å; V331-R334 PolarHBondContact O-N 2.87Å; V331-M335 HydrophobicContact CG1-CG 4.49Å; V331-M335 WeakPolarHBondContact O-CG 3.23Å; V331-M335 PolarHBondContact O-N 3.38Å
332	S	98.4	Very high	97.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-43.2	174.5	-60.8	0	0	0	0	112.1	T328 T329 R334 M335 L336 E374 V376	T328-S332 PolarHBondContact O-N 3.27Å; T329-S332 WeakPolarHBondContact O-CB 3.38Å; T329-S332 PolarHBondContact O-N 3.35Å; S332-R334 PolarHBondContact O-N 3.4Å; S332-M335 PolarHBondContact O-N 3.45Å; S332-L336 WeakPolarHBondContact O-CB 3.39Å; S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.49Å; S332-L336 PolarHBondContact O-N 2.99Å; S332-E374 VanDerWaalsContact CB-OE1 3.28Å; S332-E374 WeakPolarHBondContact CB-OE1 3.46Å; S332-E374 PolarHBondContact OG-OE1 3.05Å; S332-V376 WeakPolarHBondContact OG-CG2 3.39Å
333	A	98.4	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-44.8	174.8	0	0	0	0	0	112.4	W257 S261 L262 T329 A330 V331 M335 L336 Y337 M446	W257-A333 HydrophobicContact CE3-CB 4.28Å; S261-A333 WeakPolarHBondContact OG-CB 3.32Å; L262-A333 HydrophobicContact CD2-CB 3.66Å; T329-A333 PolarHBondContact O-N 3.05Å; A330-A333 PolarHBondContact O-N 3.03Å; V331-A333 VanDerWaalsContact C-N 3.34Å; V331-A333 PolarHBondContact O-N 3.47Å; A333-M335 VanDerWaalsContact C-N 3.32Å; A333-M335 PolarHBondContact O-N 3.1Å; A333-L336 PolarHBondContact O-N 3.32Å; A333-Y337 VanDerWaalsContact O-CB 3.3Å; A333-Y337 WeakPolarHBondContact O-CB 3.43Å; A333-Y337 PolarHBondContact O-N 2.78Å; A333-M446 HydrophobicContact CB-CE 4.17Å
334	R	98	Very high	97.4	Very high	80 Å²	80	44.4 Å²	44.4	30%	0.302	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-40.3	176.2	-72.5	-179.7	169.5	-83	8.4	112.1	E253 W257 A330 V331 S332 K338	E253-R334 IonicContact OE1-CZ 3.4Å; E253-R334 IonicContact OE1-NE 2.72Å; E253-R334 PolarHBondContact OE1-NE 3.02Å; E253-R334 IonicContact OE1-NH2 2.66Å; E253-R334 PolarHBondContact OE1-NH2 3.11Å; E253-R334 IonicContact OE2-CZ 3.59Å; E253-R334 IonicContact OE2-NE 2.72Å; E253-R334 PolarHBondContact OE2-NE 3.02Å; E253-R334 IonicContact OE2-NH2 3.59Å; W257-R334 HydrophobicContact CD2-CG 3.77Å; W257-R334 HydrophobicContact CE3-CG 3.67Å; W257-R334 HydrophobicContact CG-CG 4.21Å; W257-R334 HydrophobicContact CZ3-CG 4.11Å; A330-R334 PolarHBondContact O-N 3Å; A330-R334 VanDerWaalsContact O-N 3.14Å; V331-R334 WeakPolarHBondContact O-CB 2.99Å; V331-R334 PolarHBondContact O-N 2.87Å; S332-R334 PolarHBondContact O-N 3.4Å; R334-K338 VanDerWaalsContact O-CG 3.32Å; R334-K338 WeakPolarHBondContact O-CG 3.34Å; R334-K338 PolarHBondContact O-N 3.13Å; R334-K338 VanDerWaalsContact O-N 3.1Å
335	M	98.3	Very high	97.4	Very high	26 Å²	26	43.3 Å²	43.3	13%	0.128	20%	0.197	C	C	.	.	H	α-helix	trans	-72.3	-41.8	-179.5	-70.6	-59.3	-61.9	0	0	112.1	M246 P247 V331 S332 A333 K338 L339 Y350	M246-M335 HydrophobicContact CB-CG 4.13Å; M246-M335 HydrophobicContact CG-CB 4.49Å; M246-M335 HydrophobicContact CG-CE 4.48Å; M246-M335 HydrophobicContact CG-CG 3.85Å; M246-M335 HydrophobicContact SD-CB 3.83Å; M246-M335 HydrophobicContact SD-CG 3.6Å; M246-M335 VanDerWaalsContact SD-CG 3.6Å; P247-M335 HydrophobicContact CG-SD 4.21Å; V331-M335 HydrophobicContact CG1-CG 4.49Å; V331-M335 WeakPolarHBondContact O-CG 3.23Å; V331-M335 PolarHBondContact O-N 3.38Å; S332-M335 PolarHBondContact O-N 3.45Å; A333-M335 VanDerWaalsContact C-N 3.32Å; A333-M335 PolarHBondContact O-N 3.1Å; M335-K338 PolarHBondContact O-N 2.83Å; M335-K338 HydrophobicContact SD-CD 4.31Å; M335-L339 WeakPolarHBondContact O-CB 3.42Å; M335-L339 PolarHBondContact O-N 3.45Å; M335-Y350 HydrophobicContact CB-CD2 4.26Å; M335-Y350 HydrophobicContact CB-CE2 4.23Å; M335-Y350 HydrophobicContact CE-CE1 4.34Å; M335-Y350 HydrophobicContact CE-CE2 4.32Å
336	L	98.6	Very high	97.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-40	174.6	-69.9	171.8	0	0	0	111.8	S332 A333 K338 L339 A340 V376 A378 F438 M442 L443 M446 V454	S332-L336 WeakPolarHBondContact O-CB 3.39Å; S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.49Å; S332-L336 PolarHBondContact O-N 2.99Å; A333-L336 PolarHBondContact O-N 3.32Å; L336-K338 PolarHBondContact O-N 2.94Å; L336-L339 HydrophobicContact CD2-CD2 4.32Å; L336-L339 WeakPolarHBondContact O-CB 3.41Å; L336-L339 PolarHBondContact O-N 2.73Å; L336-A340 WeakPolarHBondContact O-CB 3.23Å; L336-A340 PolarHBondContact O-N 3.15Å; L336-V376 HydrophobicContact CD1-CG1 4.48Å; L336-V376 HydrophobicContact CD2-CG1 4.4Å; L336-A378 HydrophobicContact CD2-CB 4.12Å; L336-F438 HydrophobicContact CD1-CD2 3.8Å; L336-F438 HydrophobicContact CD1-CE2 3.75Å; L336-M442 HydrophobicContact CD1-CE 4.13Å; L336-L443 HydrophobicContact CD1-CD2 4.03Å; L336-M446 HydrophobicContact CB-SD 3.89Å; L336-V454 HydrophobicContact CD1-CG1 4.07Å; L336-V454 HydrophobicContact CD2-CG1 4.06Å; L336-V454 HydrophobicContact CD2-CG2 4.1Å
337	Y	98.5	Very high	97.5	Very high	37 Å²	37	49.3 Å²	49.3	15%	0.145	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-45.8	173.1	177.6	-100.6	0	0	0	111.8	W257 P289 Y292 A333 L339 A340 Q341 M446	W257-Y337 AromaticContact CH2-CD1 3.75Å; W257-Y337 HydrophobicContact CH2-CD1 3.75Å; W257-Y337 HydrophobicContact CH2-CD2 4.36Å; W257-Y337 HydrophobicContact CH2-CE1 4.44Å; W257-Y337 AromaticContact CH2-CG 3.7Å; W257-Y337 HydrophobicContact CH2-CG 3.7Å; W257-Y337 HydrophobicContact CZ3-CG 4.28Å; P289-Y337 HydrophobicContact CB-CE1 4.23Å; P289-Y337 WeakPolarHBondContact CB-OH 3.32Å; P289-Y337 HydrophobicContact CG-CE1 4.29Å; Y292-Y337 AromaticContact CD1-CD2 3.64Å; Y292-Y337 HydrophobicContact CD1-CD2 3.64Å; Y292-Y337 AromaticContact CD1-CE2 3.63Å; Y292-Y337 HydrophobicContact CD1-CE2 3.63Å; Y292-Y337 HydrophobicContact CD1-CG 4.35Å; Y292-Y337 HydrophobicContact CD2-CD2 4.24Å; Y292-Y337 HydrophobicContact CD2-CE2 4.1Å; Y292-Y337 AromaticContact CE1-CD2 3.95Å; Y292-Y337 HydrophobicContact CE1-CD2 3.95Å; Y292-Y337 HydrophobicContact CE1-CE2 4.39Å; Y292-Y337 HydrophobicContact CE1-CG 4.49Å; Y292-Y337 HydrophobicContact CE2-CD2 4.49Å; Y292-Y337 AromaticContact CG-CD2 3.82Å; Y292-Y337 HydrophobicContact CG-CD2 3.82Å; Y292-Y337 AromaticContact CG-CE2 3.48Å; Y292-Y337 HydrophobicContact CG-CE2 3.48Å; Y292-Y337 VanDerWaalsContact CG-CE2 3.48Å; A333-Y337 VanDerWaalsContact O-CB 3.3Å; A333-Y337 WeakPolarHBondContact O-CB 3.43Å; A333-Y337 PolarHBondContact O-N 2.78Å; Y337-L339 VanDerWaalsContact C-N 3.34Å; Y337-L339 PolarHBondContact O-N 3.41Å; Y337-A340 WeakPolarHBondContact O-CB 3.14Å; Y337-A340 PolarHBondContact O-N 2.82Å; Y337-Q341 HydrophobicContact CD1-CG 4.46Å; Y337-Q341 HydrophobicContact CE1-CG 4.04Å; Y337-Q341 WeakPolarHBondContact O-CG 3.06Å; Y337-Q341 PolarHBondContact O-N 3.19Å; Y337-Q341 PolarHBondContact O-NE2 3.38Å; Y337-Q341 VanDerWaalsContact O-NE2 3.14Å; Y337-M446 HydrophobicContact CD2-CB 4.06Å; Y337-M446 HydrophobicContact CD2-CG 4.31Å
338	K	97.9	Very high	97.5	Very high	126 Å²	126	49.9 Å²	49.9	55%	0.548	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-40.9	175.4	-75.5	174.8	-178.7	178.7	0	112.3	R334 M335 L336 A340 Q341	R334-K338 VanDerWaalsContact O-CG 3.32Å; R334-K338 WeakPolarHBondContact O-CG 3.34Å; R334-K338 PolarHBondContact O-N 3.13Å; R334-K338 VanDerWaalsContact O-N 3.1Å; M335-K338 PolarHBondContact O-N 2.83Å; M335-K338 HydrophobicContact SD-CD 4.31Å; L336-K338 PolarHBondContact O-N 2.94Å; K338-A340 VanDerWaalsContact C-N 3.29Å; K338-A340 PolarHBondContact O-N 3.35Å; K338-Q341 PolarHBondContact O-N 2.86Å
339	L	98.1	Very high	97.6	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-41.8	174.9	-179.1	69	0	0	0	111.2	M335 L336 Y337 Q341 Q342 F345 V348 A378 L448	M335-L339 WeakPolarHBondContact O-CB 3.42Å; M335-L339 PolarHBondContact O-N 3.45Å; L336-L339 HydrophobicContact CD2-CD2 4.32Å; L336-L339 WeakPolarHBondContact O-CB 3.41Å; L336-L339 PolarHBondContact O-N 2.73Å; Y337-L339 VanDerWaalsContact C-N 3.34Å; Y337-L339 PolarHBondContact O-N 3.41Å; L339-Q341 PolarHBondContact O-N 3.11Å; L339-Q342 WeakPolarHBondContact O-CB 3.48Å; L339-Q342 WeakPolarHBondContact O-CG 3.49Å; L339-Q342 PolarHBondContact O-N 3.35Å; L339-F345 HydrophobicContact CD2-CD2 4.16Å; L339-F345 HydrophobicContact CD2-CE2 3.56Å; L339-F345 HydrophobicContact CD2-CZ 4.46Å; L339-F345 HydrophobicContact CG-CD2 4.19Å; L339-F345 HydrophobicContact CG-CE2 4.11Å; L339-V348 HydrophobicContact CD1-CG1 4.04Å; L339-V348 HydrophobicContact CD1-CG2 4.23Å; L339-V348 HydrophobicContact CD2-CG2 3.47Å; L339-V348 VanDerWaalsContact CD2-CG2 3.47Å; L339-V348 HydrophobicContact CG-CG2 4.47Å; L339-A378 HydrophobicContact CD2-CB 4.16Å; L339-L448 HydrophobicContact CD2-CD2 4.37Å; L339-L448 HydrophobicContact CG-CD2 4.49Å
340	A	97.7	Very high	97.6	Very high	17 Å²	17	55.7 Å²	55.7	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-22.5	177.9	0	0	0	0	0	113.9	L336 Y337 K338 Q342 M446 L448	L336-A340 WeakPolarHBondContact O-CB 3.23Å; L336-A340 PolarHBondContact O-N 3.15Å; Y337-A340 WeakPolarHBondContact O-CB 3.14Å; Y337-A340 PolarHBondContact O-N 2.82Å; K338-A340 VanDerWaalsContact C-N 3.29Å; K338-A340 PolarHBondContact O-N 3.35Å; A340-Q342 VanDerWaalsContact C-N 3.31Å; A340-M446 HydrophobicContact CB-CB 4.16Å; A340-M446 WeakPolarHBondContact CB-O 3.49Å; A340-L448 HydrophobicContact CB-CD2 3.84Å; A340-L448 HydrophobicContact CB-CG 3.83Å
341	Q	97.1	Very high	97.7	Very high	102 Å²	102	55.7 Å²	55.7	48%	0.477	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.6	178.2	-54.4	-39	-73.4	0	0	113.5	Y337 K338 L339 M446	Y337-Q341 HydrophobicContact CD1-CG 4.46Å; Y337-Q341 HydrophobicContact CE1-CG 4.04Å; Y337-Q341 WeakPolarHBondContact O-CG 3.06Å; Y337-Q341 PolarHBondContact O-N 3.19Å; Y337-Q341 PolarHBondContact O-NE2 3.38Å; Y337-Q341 VanDerWaalsContact O-NE2 3.14Å; K338-Q341 PolarHBondContact O-N 2.86Å; L339-Q341 PolarHBondContact O-N 3.11Å; Q341-M446 PolarHBondContact NE2-O 3.17Å
342	Q	95.9	Very high	97.7	Very high	93 Å²	93	55.6 Å²	55.6	44%	0.435	26%	0.263	S	S	.	.	S	Bend	trans	-71.4	147.5	176.6	-64.4	-178.5	-5.5	0	0	110.5	L339 A340 K344	L339-Q342 WeakPolarHBondContact O-CB 3.48Å; L339-Q342 WeakPolarHBondContact O-CG 3.49Å; L339-Q342 PolarHBondContact O-N 3.35Å; A340-Q342 VanDerWaalsContact C-N 3.31Å; Q342-K344 PolarHBondContact O-N 2.87Å; Q342-K344 VanDerWaalsContact O-N 3.16Å
343	E	92.8	Very high	97.7	Very high	215 Å²	215	56.2 Å²	56.2	100%	1.005	27%	0.267	S	S	*	.	S	Bend	trans	-56.6	-33.6	177.2	-65.9	-175.4	170.5	0	0	112.5
344	K	95	Very high	97.6	Very high	161 Å²	161	57.5 Å²	57.5	70%	0.7	27%	0.274	S	S	*	.	S	Bend	trans	-135.9	130.3	175.8	-173.1	179.8	178.9	-178.6	0	109.9	Q342 T346	Q342-K344 PolarHBondContact O-N 2.87Å; Q342-K344 VanDerWaalsContact O-N 3.16Å; K344-T346 PolarHBondContact O-N 2.92Å
345	F	97.4	Very high	97.5	Very high	17 Å²	17	57.5 Å²	57.5	8%	0.075	27%	0.273	C	S	.	.			trans	-61.4	132.2	172	176.9	-92.3	0	0	0	110.9	L339 P347 A378 Y380 L448 P449 V452	L339-F345 HydrophobicContact CD2-CD2 4.16Å; L339-F345 HydrophobicContact CD2-CE2 3.56Å; L339-F345 HydrophobicContact CD2-CZ 4.46Å; L339-F345 HydrophobicContact CG-CD2 4.19Å; L339-F345 HydrophobicContact CG-CE2 4.11Å; F345-P347 HydrophobicContact CE1-CB 4.43Å; F345-P347 HydrophobicContact CE1-CG 4Å; F345-A378 HydrophobicContact CE2-CB 4.39Å; F345-A378 HydrophobicContact CZ-CB 4.18Å; F345-Y380 HydrophobicContact CD1-CD2 4.49Å; F345-Y380 HydrophobicContact CD1-CE1 4.15Å; F345-Y380 AromaticContact CD1-CE2 3.63Å; F345-Y380 HydrophobicContact CD1-CE2 3.63Å; F345-Y380 AromaticContact CD1-CZ 3.45Å; F345-Y380 VanDerWaalsContact CD1-CZ 3.45Å; F345-Y380 WeakPolarHBondContact CD1-OH 3.37Å; F345-Y380 HydrophobicContact CE1-CD2 4.23Å; F345-Y380 AromaticContact CE1-CE2 3.79Å; F345-Y380 HydrophobicContact CE1-CE2 3.79Å; F345-Y380 AromaticContact CE1-CZ 3.98Å; F345-L448 HydrophobicContact CD2-CD2 3.82Å; F345-L448 HydrophobicContact CE2-CD2 3.9Å; F345-P449 HydrophobicContact CB-CG 3.99Å; F345-P449 HydrophobicContact CG-CG 4.44Å; F345-V452 HydrophobicContact CD1-CG2 3.59Å; F345-V452 HydrophobicContact CD2-CG1 4.28Å; F345-V452 HydrophobicContact CD2-CG2 4Å; F345-V452 HydrophobicContact CE1-CB 4.47Å; F345-V452 HydrophobicContact CE1-CG1 4.11Å; F345-V452 HydrophobicContact CE1-CG2 3.49Å; F345-V452 VanDerWaalsContact CE1-CG2 3.49Å; F345-V452 HydrophobicContact CE2-CB 4.35Å; F345-V452 HydrophobicContact CE2-CG1 3.53Å; F345-V452 HydrophobicContact CE2-CG2 3.92Å; F345-V452 HydrophobicContact CG-CG2 3.83Å; F345-V452 HydrophobicContact CZ-CB 4.21Å; F345-V452 HydrophobicContact CZ-CG1 3.42Å; F345-V452 VanDerWaalsContact CZ-CG1 3.42Å; F345-V452 HydrophobicContact CZ-CG2 3.66Å
346	T	97.5	Very high	97.5	Very high	76 Å²	76	56.2 Å²	56.2	47%	0.466	27%	0.267	S	S	.	.			trans	-122.4	129.2	172.7	-57.5	0	0	0	0	108.3	K344	K344-T346 PolarHBondContact O-N 2.92Å
347	P	98.4	Very high	97.4	Very high	58 Å²	58	57.1 Å²	57.1	38%	0.377	27%	0.271	S	S	.	.			trans	-57.6	140.4	175.9	-27	35.5	0	0	0	112.6	F345 A378 D379 Y380	F345-P347 HydrophobicContact CE1-CB 4.43Å; F345-P347 HydrophobicContact CE1-CG 4Å; P347-A378 CarbonylContact C-O 3.47Å; P347-A378 VanDerWaalsContact CA-O 3.28Å; P347-A378 WeakPolarHBondContact CA-O 3.44Å; P347-D379 HydrophobicContact CB-CB 4.2Å; P347-D379 WeakPolarHBondContact CB-OD1 3.47Å; P347-D379 WeakPolarHBondContact CG-OD1 3.16Å; P347-Y380 HydrophobicContact CG-CD2 4.16Å; P347-Y380 HydrophobicContact CG-CE2 4.08Å
348	V	98.6	Very high	97.2	Very high	28 Å²	28	58.7 Å²	58.7	17%	0.17	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.1	-175.4	-67.8	0	0	0	0	112.6	L339 Y350 V377 A378	L339-V348 HydrophobicContact CD1-CG1 4.04Å; L339-V348 HydrophobicContact CD1-CG2 4.23Å; L339-V348 HydrophobicContact CD2-CG2 3.47Å; L339-V348 VanDerWaalsContact CD2-CG2 3.47Å; L339-V348 HydrophobicContact CG-CG2 4.47Å; V348-Y350 HydrophobicContact CB-CD2 4.49Å; V348-Y350 HydrophobicContact CB-CE1 4.05Å; V348-Y350 HydrophobicContact CB-CE2 4.02Å; V348-Y350 HydrophobicContact CG1-CE1 4.31Å; V348-Y350 HydrophobicContact CG2-CD2 3.93Å; V348-Y350 HydrophobicContact CG2-CE1 4.39Å; V348-Y350 HydrophobicContact CG2-CE2 3.45Å; V348-Y350 VanDerWaalsContact CG2-CE2 3.45Å; V348-V377 WeakPolarHBondContact O-CA 3.32Å; V348-A378 HydrophobicContact CG2-CB 3.94Å; V348-A378 PolarHBondContact N-O 2.89Å; V348-A378 PolarHBondContact O-N 2.91Å
349	K	98.8	Very high	96.9	Very high	95 Å²	95	55.7 Å²	55.7	41%	0.413	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.4	170.8	-62.8	-179.4	-177.8	176.3	0	107.7	F243 S244 V376 V377	F243-K349 HydrophobicContact CB-CB 4.29Å; F243-K349 HydrophobicContact CD1-CB 3.69Å; F243-K349 HydrophobicContact CD2-CB 4.05Å; F243-K349 HydrophobicContact CD2-CD 4.17Å; F243-K349 HydrophobicContact CE1-CB 3.83Å; F243-K349 HydrophobicContact CE1-CG 4.43Å; F243-K349 HydrophobicContact CE2-CB 4.18Å; F243-K349 HydrophobicContact CE2-CD 3.86Å; F243-K349 HydrophobicContact CE2-CG 4.38Å; F243-K349 HydrophobicContact CG-CB 3.76Å; F243-K349 HydrophobicContact CZ-CB 4.03Å; F243-K349 HydrophobicContact CZ-CD 4.13Å; F243-K349 HydrophobicContact CZ-CG 4.22Å; S244-K349 PolarHBondContact N-O 2.68Å; K349-V376 CarbonylContact C-O 3.2Å; K349-V376 WeakPolarHBondContact CA-O 3.06Å; K349-V377 HydrophobicContact CG-CG1 4.03Å; K349-V377 HydrophobicContact CG-CG2 4.08Å
350	Y	98.8	Very high	96.2	Very high	30 Å²	30	58.4 Å²	58.4	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.4	-175.9	-70.5	-36.7	0	0	0	111.7	F243 S244 M246 M335 V348 G375 V376	F243-Y350 WeakPolarHBondContact CD1-O 3.48Å; S244-Y350 CarbonylContact O-C 3.49Å; S244-Y350 VanDerWaalsContact O-CA 3.31Å; S244-Y350 WeakPolarHBondContact O-CA 3.19Å; M246-Y350 HydrophobicContact CG-CD1 4.27Å; M246-Y350 HydrophobicContact CG-CG 3.94Å; M246-Y350 HydrophobicContact SD-CD2 4.3Å; M246-Y350 HydrophobicContact SD-CG 4.11Å; M335-Y350 HydrophobicContact CB-CD2 4.26Å; M335-Y350 HydrophobicContact CB-CE2 4.23Å; M335-Y350 HydrophobicContact CE-CE1 4.34Å; M335-Y350 HydrophobicContact CE-CE2 4.32Å; V348-Y350 HydrophobicContact CB-CD2 4.49Å; V348-Y350 HydrophobicContact CB-CE1 4.05Å; V348-Y350 HydrophobicContact CB-CE2 4.02Å; V348-Y350 HydrophobicContact CG1-CE1 4.31Å; V348-Y350 HydrophobicContact CG2-CD2 3.93Å; V348-Y350 HydrophobicContact CG2-CE1 4.39Å; V348-Y350 HydrophobicContact CG2-CE2 3.45Å; V348-Y350 VanDerWaalsContact CG2-CE2 3.45Å; Y350-G375 CarbonylContact O-C 3.57Å; Y350-G375 WeakPolarHBondContact O-CA 3.49Å; Y350-V376 PolarHBondContact N-O 2.86Å; Y350-V376 PolarHBondContact O-N 2.79Å
351	F	98.8	Very high	95.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.4	171.4	80.9	-78.9	0	0	0	111.8	R235 F238 L239 F243 S244 E245 M246 I353 E374	R235-F351 HydrophobicContact CB-CE2 4.34Å; R235-F351 HydrophobicContact CG-CE2 3.93Å; R235-F351 HydrophobicContact CG-CZ 3.87Å; F238-F351 HydrophobicContact CB-CB 4.11Å; F238-F351 HydrophobicContact CB-CD1 3.57Å; F238-F351 HydrophobicContact CB-CD2 3.7Å; F238-F351 HydrophobicContact CB-CE1 3.75Å; F238-F351 HydrophobicContact CB-CE2 3.93Å; F238-F351 HydrophobicContact CB-CG 3.5Å; F238-F351 VanDerWaalsContact CB-CG 3.5Å; F238-F351 HydrophobicContact CB-CZ 3.94Å; F238-F351 HydrophobicContact CD1-CB 3.38Å; F238-F351 HydrophobicContact CD1-CD1 4.38Å; F238-F351 HydrophobicContact CD1-CD2 4.31Å; F238-F351 AromaticContact CD1-CG 3.79Å; F238-F351 HydrophobicContact CD1-CG 3.79Å; F238-F351 HydrophobicContact CD2-CB 3.95Å; F238-F351 AromaticContact CD2-CD2 3.42Å; F238-F351 HydrophobicContact CD2-CD2 3.42Å; F238-F351 VanDerWaalsContact CD2-CD2 3.42Å; F238-F351 HydrophobicContact CD2-CE2 4.06Å; F238-F351 AromaticContact CD2-CG 3.78Å; F238-F351 HydrophobicContact CD2-CG 3.78Å; F238-F351 HydrophobicContact CE1-CB 3.61Å; F238-F351 HydrophobicContact CE1-CG 4.41Å; F238-F351 HydrophobicContact CE2-CB 4.19Å; F238-F351 HydrophobicContact CE2-CD2 4.08Å; F238-F351 HydrophobicContact CE2-CG 4.43Å; F238-F351 HydrophobicContact CG-CB 3.55Å; F238-F351 HydrophobicContact CG-CD1 4Å; F238-F351 AromaticContact CG-CD2 3.56Å; F238-F351 HydrophobicContact CG-CD2 3.56Å; F238-F351 HydrophobicContact CG-CE2 4.23Å; F238-F351 AromaticContact CG-CG 3.42Å; F238-F351 HydrophobicContact CG-CG 3.42Å; F238-F351 VanDerWaalsContact CG-CG 3.42Å; F238-F351 HydrophobicContact CZ-CB 4.02Å; L239-F351 HydrophobicContact CD2-CE1 4.03Å; L239-F351 HydrophobicContact CD2-CZ 4.28Å; L239-F351 HydrophobicContact CG-CE1 4.41Å; L239-F351 HydrophobicContact CG-CZ 4.34Å; F243-F351 HydrophobicContact CB-CB 4.24Å; F243-F351 HydrophobicContact CB-CD1 3.62Å; F243-F351 HydrophobicContact CB-CE1 4.4Å; F243-F351 HydrophobicContact CB-CG 4.3Å; F243-F351 HydrophobicContact CD1-CB 4.29Å; S244-F351 VanDerWaalsContact C-CD1 3.47Å; S244-F351 WeakPolarHBondContact O-CD1 3.46Å; S244-F351 PolarHBondContact O-N 2.7Å; E245-F351 CarbonylContact C-O 3.4Å; E245-F351 VanDerWaalsContact CA-CE1 3.44Å; E245-F351 WeakPolarHBondContact CA-O 3.46Å; E245-F351 HydrophobicContact CB-CD1 4.28Å; E245-F351 HydrophobicContact CB-CE1 3.56Å; E245-F351 HydrophobicContact CB-CE2 4.28Å; E245-F351 HydrophobicContact CB-CZ 3.55Å; E245-F351 HydrophobicContact CG-CE1 4.19Å; E245-F351 HydrophobicContact CG-CE2 3.99Å; E245-F351 HydrophobicContact CG-CZ 3.72Å; E245-F351 VanDerWaalsContact N-CE1 3.33Å; M246-F351 PolarHBondContact N-O 2.99Å; F351-I353 HydrophobicContact CD2-CG1 4.24Å; F351-I353 HydrophobicContact CE2-CD1 4.43Å; F351-I353 HydrophobicContact CE2-CG1 4.41Å; F351-E374 CarbonylContact C-O 3.54Å; F351-E374 WeakPolarHBondContact CA-O 3.33Å; F351-E374 WeakPolarHBondContact CB-O 3.35Å
352	S	98.3	Very high	94.6	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.6	168.9	57.6	0	0	0	0	110.5	I373 E374	S352-I373 WeakPolarHBondContact O-CA 3.43Å; S352-E374 PolarHBondContact N-O 3.31Å; S352-E374 PolarHBondContact O-N 2.98Å
353	I	97.9	Very high	94	Very high	15 Å²	15	62 Å²	62	8%	0.077	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	102.7	170.5	-48.3	176.7	0	0	0	107.6	R231 F234 R235 F351 Q372 I373 L461	R231-I353 HydrophobicContact CG-CB 4.36Å; R231-I353 HydrophobicContact CG-CD1 4.35Å; R231-I353 HydrophobicContact CG-CG2 3.83Å; F234-I353 HydrophobicContact CB-CD1 3.65Å; R235-I353 HydrophobicContact CB-CD1 4.09Å; F351-I353 HydrophobicContact CD2-CG1 4.24Å; F351-I353 HydrophobicContact CE2-CD1 4.43Å; F351-I353 HydrophobicContact CE2-CG1 4.41Å; I353-Q372 WeakPolarHBondContact CA-O 3.43Å; I353-I373 HydrophobicContact CB-CG1 4.32Å; I353-I373 HydrophobicContact CD1-CG1 4.36Å; I353-I373 HydrophobicContact CG1-CB 4.45Å; I353-I373 HydrophobicContact CG1-CG1 4.01Å; I353-I373 HydrophobicContact CG1-CG2 4.19Å; I353-I373 HydrophobicContact CG2-CG1 3.64Å; I353-L461 HydrophobicContact CG2-CD2 4.39Å
354	D	97.6	Very high	93.2	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.144	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	166.7	-176.9	-150	-7.8	0	0	0	113.3	T248 R325 T328 H371 Q372	T248-D354 WeakPolarHBondContact CB-OD2 3.42Å; T248-D354 HydrophobicContact CG2-CB 3.96Å; T248-D354 VanDerWaalsContact O-OD2 3.11Å; T248-D354 PolarHBondContact OG1-OD2 2.67Å; R325-D354 IonicContact CZ-OD2 2.74Å; R325-D354 IonicContact NH1-OD2 3.82Å; R325-D354 PolarHBondContact NH1-OD2 2.61Å; R325-D354 IonicContact NH2-OD1 3.62Å; R325-D354 PolarHBondContact NH2-OD1 3.22Å; R325-D354 IonicContact NH2-OD2 3.09Å; R325-D354 PolarHBondContact NH2-OD2 3.33Å; T328-D354 HydrophobicContact CG2-CB 4.35Å; D354-H371 WeakPolarHBondContact O-CA 3.35Å; D354-Q372 PolarHBondContact N-O 3.4Å; D354-Q372 PolarHBondContact O-N 3Å
355	R	96.3	Very high	92.4	Very high	79 Å²	79	50.1 Å²	50.1	30%	0.298	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138	-174.6	-158.5	-174.1	-38.8	-175.8	6.6	112.4	R325 F357 E369 F370	R325-R355 PolarHBondContact NE-O 3.21Å; R325-R355 PolarHBondContact NH2-O 3.16Å; R355-F357 HydrophobicContact CG-CZ 4.46Å; R355-E369 WeakPolarHBondContact CD-OE2 3.34Å; R355-E369 HydrophobicContact CG-CB 4.23Å; R355-E369 IonicContact CZ-OE2 3.39Å; R355-E369 IonicContact NE-OE2 3.4Å; R355-E369 IonicContact NH1-OE1 2.77Å; R355-E369 IonicContact NH1-OE2 2.94Å; R355-E369 PolarHBondContact NH1-OE2 3Å; R355-F370 CarbonylContact C-O 3.33Å; R355-F370 VanDerWaalsContact CA-O 3.28Å; R355-F370 WeakPolarHBondContact CA-O 3.12Å; R355-F370 WeakPolarHBondContact CG-O 3.2Å
356	V	97.1	Very high	91.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.6	176.9	-59.3	0	0	0	0	109.3	T328 E369 F370 Q372	T328-V356 HydrophobicContact CG2-CG1 3.91Å; V356-E369 VanDerWaalsContact O-CA 3.29Å; V356-E369 WeakPolarHBondContact O-CA 3.45Å; V356-F370 HydrophobicContact CG2-CD1 4.3Å; V356-F370 HydrophobicContact CG2-CD2 3.96Å; V356-F370 HydrophobicContact CG2-CE1 3.94Å; V356-F370 HydrophobicContact CG2-CE2 3.57Å; V356-F370 HydrophobicContact CG2-CG 4.31Å; V356-F370 HydrophobicContact CG2-CZ 3.57Å; V356-F370 WeakPolarHBondContact CG2-O 3.47Å; V356-F370 PolarHBondContact N-O 3.15Å; V356-F370 PolarHBondContact O-N 3.5Å; V356-F370 VanDerWaalsContact O-N 3.12Å; V356-Q372 HydrophobicContact CG1-CB 3.92Å; V356-Q372 HydrophobicContact CG2-CB 4.02Å
357	F	96.8	Very high	91.4	Very high	20 Å²	20	50 Å²	50	9%	0.088	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.3	-170.5	-52.9	-93.1	0	0	0	110.3	F251 F277 L324 R325 T326 R355 A368 E369	F251-F357 HydrophobicContact CB-CE2 3.88Å; F251-F357 HydrophobicContact CB-CZ 4.28Å; F251-F357 HydrophobicContact CD1-CE2 4.16Å; F251-F357 HydrophobicContact CD1-CZ 4.43Å; F251-F357 HydrophobicContact CD2-CE2 4.3Å; F251-F357 AromaticContact CD2-CZ 3.92Å; F251-F357 HydrophobicContact CD2-CZ 3.92Å; F251-F357 HydrophobicContact CE2-CZ 4.32Å; F251-F357 AromaticContact CG-CE2 3.87Å; F251-F357 HydrophobicContact CG-CE2 3.87Å; F251-F357 AromaticContact CG-CZ 3.97Å; F251-F357 HydrophobicContact CG-CZ 3.97Å; F277-F357 HydrophobicContact CD2-CB 4Å; L324-F357 HydrophobicContact CB-CB 3.62Å; L324-F357 HydrophobicContact CB-CD2 3.73Å; L324-F357 HydrophobicContact CB-CG 3.73Å; L324-F357 HydrophobicContact CD1-CB 4.12Å; L324-F357 HydrophobicContact CD1-CD1 3.95Å; L324-F357 HydrophobicContact CD1-CD2 4.47Å; L324-F357 HydrophobicContact CD1-CG 3.93Å; L324-F357 HydrophobicContact CG-CD2 4.49Å; L324-F357 HydrophobicContact CG-CG 4.37Å; R325-F357 HydrophobicContact CG-CD2 4.31Å; R325-F357 PolarHBondContact O-N 3.35Å; T326-F357 WeakPolarHBondContact CA-O 3.47Å; R355-F357 HydrophobicContact CG-CZ 4.46Å; F357-A368 CarbonylContact C-O 3.57Å; F357-A368 VanDerWaalsContact CA-O 3.28Å; F357-A368 WeakPolarHBondContact CA-O 3.44Å; F357-E369 HydrophobicContact CD1-CB 3.75Å; F357-E369 HydrophobicContact CE1-CB 3.95Å
358	R	94.3	Very high	91.1	Very high	70 Å²	70	48.4 Å²	48.4	26%	0.264	25%	0.253	S	S	.	.			trans	-136.8	137.4	178.2	-60.1	-173.1	-175.2	173.2	-0.1	109.2	F277 T326 E360 A368 F370	F277-R358 VanDerWaalsContact CE2-C 3.41Å; F277-R358 WeakPolarHBondContact CE2-O 3.48Å; T326-R358 PolarHBondContact O-NE 2.84Å; R358-E360 HydrophobicContact CB-CG 4Å; R358-E360 WeakPolarHBondContact CD-OE1 3.44Å; R358-E360 IonicContact NH1-OE1 2.68Å; R358-E360 PolarHBondContact O-N 3.43Å; R358-A368 PolarHBondContact N-O 3.38Å; R358-A368 VanDerWaalsContact O-CA 3.25Å; R358-A368 WeakPolarHBondContact O-CA 3.44Å; R358-F370 HydrophobicContact CG-CE1 4.17Å
359	N	91.6	Very high	90.9	Very high	63 Å²	63	50.8 Å²	50.8	34%	0.337	26%	0.262	S	S	.	.			trans	-79.6	45.1	-179.9	-165.2	14.6	0	0	0	111.8	Q273 D275 F277	Q273-N359 PolarHBondContact O-ND2 3.32Å; D275-N359 PolarHBondContact O-N 3.22Å; F277-N359 HydrophobicContact CD1-CB 3.99Å; F277-N359 HydrophobicContact CD2-CB 4.39Å; F277-N359 HydrophobicContact CE1-CB 3.74Å; F277-N359 VanDerWaalsContact CE1-CG 3.43Å; F277-N359 WeakPolarHBondContact CE1-OD1 3.49Å; F277-N359 HydrophobicContact CE2-CB 4.18Å; F277-N359 HydrophobicContact CG-CB 4.32Å; F277-N359 HydrophobicContact CZ-CB 3.85Å; F277-N359 WeakPolarHBondContact CZ-OD1 3.29Å
360	E	83.7	Confident	90.7	Very high	59 Å²	59	47.4 Å²	47.4	28%	0.276	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-82.8	151.2	178.5	-68	176.9	-155.3	0	0	110.5	R358 L362 H366	R358-E360 HydrophobicContact CB-CG 4Å; R358-E360 WeakPolarHBondContact CD-OE1 3.44Å; R358-E360 IonicContact NH1-OE1 2.68Å; R358-E360 PolarHBondContact O-N 3.43Å; E360-L362 PolarHBondContact O-N 2.74Å; E360-H366 IonicContact OE2-CD2 3.91Å; E360-H366 PolarHBondContact OE2-CD2 3.11Å; E360-H366 IonicContact OE2-CG 3.86Å
361	T	81.8	Confident	90.6	Very high	126 Å²	126	46.8 Å²	46.8	77%	0.773	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-67.1	125.2	175.9	-60.4	0	0	0	0	109.8	D363	T361-D363 PolarHBondContact O-N 3.24Å
362	L	80.3	Confident	90.5	Very high	103 Å²	103	47.7 Å²	47.7	54%	0.539	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-64	122.4	-179.8	-63.8	172.5	0	0	0	111.6	E360 L367 A368	E360-L362 PolarHBondContact O-N 2.74Å; L362-L367 HydrophobicContact CD2-CD2 4.31Å; L362-A368 HydrophobicContact CD2-CB 3.8Å
363	D	82.9	Confident	90.5	Very high	59 Å²	59	47.6 Å²	47.6	32%	0.316	25%	0.249	S	C	.	.			trans	-137.3	-161.5	175.2	69.9	33.1	0	0	0	112.1	T361 T365 H366 R475	T361-D363 PolarHBondContact O-N 3.24Å; D363-T365 PolarHBondContact O-N 2.96Å; D363-T365 WeakPolarHBondContact OD1-CA 3.42Å; D363-T365 PolarHBondContact OD1-N 3.42Å; D363-T365 PolarHBondContact OD1-OG1 2.87Å; D363-H366 VanDerWaalsContact CG-ND1 3.34Å; D363-H366 PolarHBondContact N-O 2.89Å; D363-H366 VanDerWaalsContact N-O 3.14Å; D363-H366 IonicContact OD1-CG 3.79Å; D363-H366 PolarHBondContact OD1-N 2.87Å; D363-H366 IonicContact OD1-ND1 3.73Å; D363-H366 PolarHBondContact OD1-ND1 3.43Å; D363-H366 VanDerWaalsContact OD1-ND1 3.09Å; D363-H366 IonicContact OD2-CE1 3.08Å; D363-H366 IonicContact OD2-CG 3.13Å; D363-H366 IonicContact OD2-ND1 2.69Å; D363-H366 PolarHBondContact OD2-ND1 3.37Å; D363-R475 PolarHBondContact O-NE 3.28Å
364	A	76.1	Confident	90.5	Very high	40 Å²	40	47.2 Å²	47.2	33%	0.331	25%	0.247	S	C	.	.	S	Bend	trans	-74.4	-14.5	-180	0	0	0	0	0	113.8	I474	A364-I474 WeakPolarHBondContact O-CG2 3.28Å; A364-I474 PolarHBondContact O-N 3.3Å
365	T	77.3	Confident	90.6	Very high	87 Å²	87	45.9 Å²	45.9	53%	0.534	24%	0.24	S	C	.	.	S	Bend	trans	-122.9	-21.6	-172.7	46.9	0	0	0	0	113.9	D363	D363-T365 PolarHBondContact O-N 2.96Å; D363-T365 WeakPolarHBondContact OD1-CA 3.42Å; D363-T365 PolarHBondContact OD1-N 3.42Å; D363-T365 PolarHBondContact OD1-OG1 2.87Å
366	H	85	Confident	90.7	Very high	74 Å²	74	42.2 Å²	42.2	34%	0.343	23%	0.227	S	C	.	.			trans	-118.5	134.2	-177.3	-56.1	96.3	0	0	0	110.8	E360 D363	E360-H366 IonicContact OE2-CD2 3.91Å; E360-H366 PolarHBondContact OE2-CD2 3.11Å; E360-H366 IonicContact OE2-CG 3.86Å; D363-H366 VanDerWaalsContact CG-ND1 3.34Å; D363-H366 PolarHBondContact N-O 2.89Å; D363-H366 VanDerWaalsContact N-O 3.14Å; D363-H366 IonicContact OD1-CG 3.79Å; D363-H366 PolarHBondContact OD1-N 2.87Å; D363-H366 IonicContact OD1-ND1 3.73Å; D363-H366 PolarHBondContact OD1-ND1 3.43Å; D363-H366 VanDerWaalsContact OD1-ND1 3.09Å; D363-H366 IonicContact OD2-CE1 3.08Å; D363-H366 IonicContact OD2-CG 3.13Å; D363-H366 IonicContact OD2-ND1 2.69Å; D363-H366 PolarHBondContact OD2-ND1 3.37Å
367	L	88.3	Confident	90.8	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.089	23%	0.229	C	C	.	.			trans	-120.1	148.6	171.7	-68.8	177.5	0	0	0	109.3	L362 E369 I474 R475 V478	L362-L367 HydrophobicContact CD2-CD2 4.31Å; L367-E369 WeakPolarHBondContact CB-O 3.15Å; L367-E369 PolarHBondContact O-N 3.18Å; L367-I474 HydrophobicContact CD1-CB 4.5Å; L367-I474 HydrophobicContact CD1-CD1 3.82Å; L367-I474 HydrophobicContact CD1-CG1 3.7Å; L367-I474 HydrophobicContact CD1-CG2 4.17Å; L367-I474 HydrophobicContact CD2-CG2 3.89Å; L367-I474 HydrophobicContact CG-CB 4.48Å; L367-I474 HydrophobicContact CG-CD1 3.93Å; L367-I474 HydrophobicContact CG-CG1 4.06Å; L367-I474 HydrophobicContact CG-CG2 3.67Å; L367-R475 HydrophobicContact CD2-CG 3.85Å; L367-V478 HydrophobicContact CD1-CB 3.86Å; L367-V478 HydrophobicContact CD1-CG1 4.23Å; L367-V478 HydrophobicContact CD1-CG2 4.31Å
368	A	93.1	Very high	90.9	Very high	24 Å²	24	41.7 Å²	41.7	20%	0.198	23%	0.225	C	C	.	.	S	Bend	trans	-66.9	-22.8	173.6	0	0	0	0	0	112.2	F277 F357 R358 L362	F277-A368 HydrophobicContact CE2-CB 4.09Å; F277-A368 HydrophobicContact CZ-CB 4.07Å; F357-A368 CarbonylContact C-O 3.57Å; F357-A368 VanDerWaalsContact CA-O 3.28Å; F357-A368 WeakPolarHBondContact CA-O 3.44Å; R358-A368 PolarHBondContact N-O 3.38Å; R358-A368 VanDerWaalsContact O-CA 3.25Å; R358-A368 WeakPolarHBondContact O-CA 3.44Å; L362-A368 HydrophobicContact CD2-CB 3.8Å
369	E	94	Very high	91.1	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.6	171	59.2	171.2	-179.3	0	0	110.5	R355 V356 F357 L367	R355-E369 WeakPolarHBondContact CD-OE2 3.34Å; R355-E369 HydrophobicContact CG-CB 4.23Å; R355-E369 IonicContact CZ-OE2 3.39Å; R355-E369 IonicContact NE-OE2 3.4Å; R355-E369 IonicContact NH1-OE1 2.77Å; R355-E369 IonicContact NH1-OE2 2.94Å; R355-E369 PolarHBondContact NH1-OE2 3Å; V356-E369 VanDerWaalsContact O-CA 3.29Å; V356-E369 WeakPolarHBondContact O-CA 3.45Å; F357-E369 HydrophobicContact CD1-CB 3.75Å; F357-E369 HydrophobicContact CE1-CB 3.95Å; L367-E369 WeakPolarHBondContact CB-O 3.15Å; L367-E369 PolarHBondContact O-N 3.18Å
370	F	94.6	Very high	91.4	Very high	24 Å²	24	42.9 Å²	42.9	11%	0.105	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	168	179.3	64.8	-88.8	0	0	0	110.1	R355 V356 R358	R355-F370 CarbonylContact C-O 3.33Å; R355-F370 VanDerWaalsContact CA-O 3.28Å; R355-F370 WeakPolarHBondContact CA-O 3.12Å; R355-F370 WeakPolarHBondContact CG-O 3.2Å; V356-F370 HydrophobicContact CG2-CD1 4.3Å; V356-F370 HydrophobicContact CG2-CD2 3.96Å; V356-F370 HydrophobicContact CG2-CE1 3.94Å; V356-F370 HydrophobicContact CG2-CE2 3.57Å; V356-F370 HydrophobicContact CG2-CG 4.31Å; V356-F370 HydrophobicContact CG2-CZ 3.57Å; V356-F370 WeakPolarHBondContact CG2-O 3.47Å; V356-F370 PolarHBondContact N-O 3.15Å; V356-F370 PolarHBondContact O-N 3.5Å; V356-F370 VanDerWaalsContact O-N 3.12Å; R358-F370 HydrophobicContact CG-CE1 4.17Å
371	H	96.8	Very high	91.9	Very high	17 Å²	17	42.7 Å²	42.7	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.8	-178.4	-57	76.1	0	0	0	110.8	D354 S460 L461 E462	D354-H371 WeakPolarHBondContact O-CA 3.35Å; H371-S460 WeakPolarHBondContact O-CA 3.48Å; H371-L461 HydrophobicContact CB-CB 3.85Å; H371-L461 HydrophobicContact CB-CD2 3.95Å; H371-L461 PolarHBondContact O-N 2.81Å; H371-E462 IonicContact CE1-OE1 2.74Å; H371-E462 IonicContact CG-OE1 2.7Å; H371-E462 VanDerWaalsContact N-CD 3.33Å; H371-E462 PolarHBondContact N-OE1 3.12Å; H371-E462 PolarHBondContact N-OE2 2.74Å; H371-E462 VanDerWaalsContact N-OE2 3.15Å; H371-E462 IonicContact ND1-OE1 3.56Å; H371-E462 PolarHBondContact ND1-OE1 2.97Å
372	Q	97.1	Very high	92.7	Very high	19 Å²	19	38.1 Å²	38.1	9%	0.089	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.2	171.9	-172	171.4	-58	0	0	109.4	T328 I353 D354 V356 E374	T328-Q372 HydrophobicContact CG2-CB 4.23Å; T328-Q372 WeakPolarHBondContact OG1-CG 3.27Å; T328-Q372 PolarHBondContact OG1-NE2 2.94Å; I353-Q372 WeakPolarHBondContact CA-O 3.43Å; D354-Q372 PolarHBondContact N-O 3.4Å; D354-Q372 PolarHBondContact O-N 3Å; V356-Q372 HydrophobicContact CG1-CB 3.92Å; V356-Q372 HydrophobicContact CG2-CB 4.02Å; Q372-E374 PolarHBondContact NE2-OE2 3.31Å
373	I	98	Very high	93.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.7	168.7	-61.6	158	0	0	0	106.8	F234 F238 S352 I353 G458 L459 L461	F234-I373 HydrophobicContact CB-CD1 4.3Å; F234-I373 HydrophobicContact CD1-CD1 3.64Å; F234-I373 HydrophobicContact CD2-CD1 3.87Å; F234-I373 HydrophobicContact CE1-CD1 3.77Å; F234-I373 HydrophobicContact CE2-CD1 4.03Å; F234-I373 HydrophobicContact CG-CD1 3.68Å; F234-I373 HydrophobicContact CZ-CD1 3.98Å; F238-I373 HydrophobicContact CE2-CG2 3.39Å; F238-I373 HydrophobicContact CZ-CG2 3.68Å; S352-I373 WeakPolarHBondContact O-CA 3.43Å; I353-I373 HydrophobicContact CB-CG1 4.32Å; I353-I373 HydrophobicContact CD1-CG1 4.36Å; I353-I373 HydrophobicContact CG1-CB 4.45Å; I353-I373 HydrophobicContact CG1-CG1 4.01Å; I353-I373 HydrophobicContact CG1-CG2 4.19Å; I353-I373 HydrophobicContact CG2-CG1 3.64Å; I373-G458 CarbonylContact O-C 3.55Å; I373-G458 WeakPolarHBondContact O-CA 3.34Å; I373-L459 HydrophobicContact CB-CG 4.27Å; I373-L459 HydrophobicContact CD1-CD1 3.96Å; I373-L459 HydrophobicContact CD1-CG 4.19Å; I373-L459 PolarHBondContact N-O 3.5Å; I373-L459 PolarHBondContact O-N 3.3Å; I373-L461 HydrophobicContact CD1-CB 4.01Å; I373-L461 HydrophobicContact CD1-CD1 3.83Å; I373-L461 HydrophobicContact CG1-CB 4.28Å
374	E	98.4	Very high	94.1	Very high	6 Å²	6	37 Å²	37	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137	174.2	-167.5	171.2	114.5	0	0	111.2	T328 T329 S332 F351 S352 Q372 V376 W457	T328-E374 WeakPolarHBondContact OG1-CB 3.44Å; T328-E374 PolarHBondContact OG1-OE2 3.29Å; T329-E374 VanDerWaalsContact CA-OE1 3.24Å; T329-E374 WeakPolarHBondContact CA-OE1 3.48Å; T329-E374 VanDerWaalsContact CA-OE2 3.31Å; T329-E374 WeakPolarHBondContact CA-OE2 3.22Å; T329-E374 WeakPolarHBondContact CB-OE2 3.46Å; T329-E374 PolarHBondContact N-OE2 3.46Å; T329-E374 PolarHBondContact OG1-OE2 2.98Å; S332-E374 VanDerWaalsContact CB-OE1 3.28Å; S332-E374 WeakPolarHBondContact CB-OE1 3.46Å; S332-E374 PolarHBondContact OG-OE1 3.05Å; F351-E374 CarbonylContact C-O 3.54Å; F351-E374 WeakPolarHBondContact CA-O 3.33Å; F351-E374 WeakPolarHBondContact CB-O 3.35Å; S352-E374 PolarHBondContact N-O 3.31Å; S352-E374 PolarHBondContact O-N 2.98Å; Q372-E374 PolarHBondContact NE2-OE2 3.31Å; E374-V376 HydrophobicContact CG-CG2 4.36Å; E374-W457 CarbonylContact C-O 3.56Å; E374-W457 VanDerWaalsContact CA-O 3.32Å; E374-W457 WeakPolarHBondContact CA-O 3.36Å; E374-W457 WeakPolarHBondContact CG-O 3.47Å
375	G	98.6	Very high	95.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141	171.4	0	0	0	0	0	110.7	Y350 A456 W457	Y350-G375 CarbonylContact O-C 3.57Å; Y350-G375 WeakPolarHBondContact O-CA 3.49Å; G375-A456 CarbonylContact O-C 3.56Å; G375-A456 WeakPolarHBondContact O-CA 3.45Å; G375-W457 PolarHBondContact N-O 2.98Å; G375-W457 VanDerWaalsContact O-CE3 3.3Å; G375-W457 PolarHBondContact O-N 3.36Å
376	V	98.7	Very high	96.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.1	-177.7	-178.9	0	0	0	0	109.2	F243 S332 L336 K349 Y350 E374 F438 V454 I455 A456	F243-V376 WeakPolarHBondContact CE1-O 3.37Å; S332-V376 WeakPolarHBondContact OG-CG2 3.39Å; L336-V376 HydrophobicContact CD1-CG1 4.48Å; L336-V376 HydrophobicContact CD2-CG1 4.4Å; K349-V376 CarbonylContact C-O 3.2Å; K349-V376 WeakPolarHBondContact CA-O 3.06Å; Y350-V376 PolarHBondContact N-O 2.86Å; Y350-V376 PolarHBondContact O-N 2.79Å; E374-V376 HydrophobicContact CG-CG2 4.36Å; V376-F438 HydrophobicContact CG1-CE2 4.14Å; V376-F438 HydrophobicContact CG2-CE2 4.4Å; V376-V454 HydrophobicContact CG1-CG1 3.37Å; V376-I455 CarbonylContact C-O 3.57Å; V376-I455 WeakPolarHBondContact CA-O 3.28Å; V376-A456 HydrophobicContact CG2-CB 3.95Å
377	V	98.8	Very high	96.8	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.8	172.8	-176.4	0	0	0	0	108.3	F243 V348 K349 L382 V454 I455 W457	F243-V377 HydrophobicContact CE1-CG2 3.59Å; F243-V377 HydrophobicContact CZ-CG2 3.37Å; V348-V377 WeakPolarHBondContact O-CA 3.32Å; K349-V377 HydrophobicContact CG-CG1 4.03Å; K349-V377 HydrophobicContact CG-CG2 4.08Å; V377-L382 HydrophobicContact CB-CD1 4.3Å; V377-L382 HydrophobicContact CG1-CD1 3.93Å; V377-L382 WeakPolarHBondContact O-CD1 3.36Å; V377-V454 CarbonylContact O-C 3.59Å; V377-V454 VanDerWaalsContact O-CA 3.28Å; V377-V454 WeakPolarHBondContact O-CA 3.34Å; V377-V454 WeakPolarHBondContact O-CG1 3.21Å; V377-I455 HydrophobicContact CB-CD1 4.1Å; V377-I455 HydrophobicContact CB-CG1 3.73Å; V377-I455 HydrophobicContact CG2-CG1 4.34Å; V377-I455 PolarHBondContact N-O 3.46Å; V377-I455 PolarHBondContact O-N 2.84Å; V377-W457 HydrophobicContact CG2-CZ3 4.23Å
378	A	98.7	Very high	97.3	Very high	1 Å²	1	35 Å²	35	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.2	175.8	0	0	0	0	0	108.9	L336 L339 F345 P347 V348 V454	L336-A378 HydrophobicContact CD2-CB 4.12Å; L339-A378 HydrophobicContact CD2-CB 4.16Å; F345-A378 HydrophobicContact CE2-CB 4.39Å; F345-A378 HydrophobicContact CZ-CB 4.18Å; P347-A378 CarbonylContact C-O 3.47Å; P347-A378 VanDerWaalsContact CA-O 3.28Å; P347-A378 WeakPolarHBondContact CA-O 3.44Å; V348-A378 HydrophobicContact CG2-CB 3.94Å; V348-A378 PolarHBondContact N-O 2.89Å; V348-A378 PolarHBondContact O-N 2.91Å; A378-V454 HydrophobicContact CB-CB 4.43Å; A378-V454 HydrophobicContact CB-CG1 4.16Å; A378-V454 HydrophobicContact CB-CG2 3.66Å
379	D	98.6	Very high	97.5	Very high	58 Å²	58	35.5 Å²	35.5	31%	0.31	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	172.4	-179.9	-152.4	-14.1	0	0	0	110.2	P347 L382 S453	P347-D379 HydrophobicContact CB-CB 4.2Å; P347-D379 WeakPolarHBondContact CB-OD1 3.47Å; P347-D379 WeakPolarHBondContact CG-OD1 3.16Å; D379-L382 HydrophobicContact CB-CD1 3.87Å; D379-L382 HydrophobicContact CB-CD2 3.84Å; D379-L382 HydrophobicContact CB-CG 3.79Å; D379-S453 PolarHBondContact N-O 2.8Å; D379-S453 VanDerWaalsContact N-O 3.08Å; D379-S453 PolarHBondContact O-N 2.76Å; D379-S453 PolarHBondContact O-OG 3.14Å; D379-S453 VanDerWaalsContact O-OG 3.13Å
380	Y	97.9	Very high	97.7	Very high	99 Å²	99	33.4 Å²	33.4	39%	0.388	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.5	176.4	-60.2	-82.7	0	0	0	110.9	F345 P347 L382 D451 V452	F345-Y380 HydrophobicContact CD1-CD2 4.49Å; F345-Y380 HydrophobicContact CD1-CE1 4.15Å; F345-Y380 AromaticContact CD1-CE2 3.63Å; F345-Y380 HydrophobicContact CD1-CE2 3.63Å; F345-Y380 AromaticContact CD1-CZ 3.45Å; F345-Y380 VanDerWaalsContact CD1-CZ 3.45Å; F345-Y380 WeakPolarHBondContact CD1-OH 3.37Å; F345-Y380 HydrophobicContact CE1-CD2 4.23Å; F345-Y380 AromaticContact CE1-CE2 3.79Å; F345-Y380 HydrophobicContact CE1-CE2 3.79Å; F345-Y380 AromaticContact CE1-CZ 3.98Å; P347-Y380 HydrophobicContact CG-CD2 4.16Å; P347-Y380 HydrophobicContact CG-CE2 4.08Å; Y380-L382 VanDerWaalsContact C-N 3.35Å; Y380-L382 PolarHBondContact O-N 2.66Å; Y380-D451 WeakPolarHBondContact CA-O 3.38Å; Y380-D451 HydrophobicContact CD1-CB 4.34Å; Y380-D451 VanDerWaalsContact CD1-OD2 3.32Å; Y380-D451 WeakPolarHBondContact CD1-OD2 3.38Å; Y380-D451 WeakPolarHBondContact CE1-OD2 3.38Å; Y380-V452 HydrophobicContact CD1-CG2 3.77Å; Y380-V452 HydrophobicContact CE1-CG2 3.61Å; Y380-V452 HydrophobicContact CG-CG2 4.49Å
381	G	95.6	Very high	97.8	Very high	55 Å²	55	32.3 Å²	32.3	57%	0.567	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	29	169.8	0	0	0	0	0	116.7	D451	G381-D451 PolarHBondContact N-O 2.91Å
382	L	97.9	Very high	97.8	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.157	21%	0.21	C	C	.	.			trans	-62.1	138.5	172.2	-60.2	174.4	0	0	0	111	V377 D379 Y380 D386 S453 I455	V377-L382 HydrophobicContact CB-CD1 4.3Å; V377-L382 HydrophobicContact CG1-CD1 3.93Å; V377-L382 WeakPolarHBondContact O-CD1 3.36Å; D379-L382 HydrophobicContact CB-CD1 3.87Å; D379-L382 HydrophobicContact CB-CD2 3.84Å; D379-L382 HydrophobicContact CB-CG 3.79Å; Y380-L382 VanDerWaalsContact C-N 3.35Å; Y380-L382 PolarHBondContact O-N 2.66Å; L382-D386 HydrophobicContact CD2-CB 4.26Å; L382-S453 WeakPolarHBondContact CA-OG 3.05Å; L382-S453 VanDerWaalsContact CB-OG 3.23Å; L382-S453 WeakPolarHBondContact CB-OG 3.43Å; L382-S453 WeakPolarHBondContact CD1-O 3.33Å; L382-S453 PolarHBondContact N-OG 2.77Å; L382-I455 HydrophobicContact CB-CG2 3.96Å; L382-I455 HydrophobicContact CD1-CD1 4.05Å; L382-I455 HydrophobicContact CD1-CG1 3.93Å; L382-I455 HydrophobicContact CD1-CG2 4.25Å
383	T	96.8	Very high	97.7	Very high	74 Å²	74	39.5 Å²	39.5	45%	0.454	23%	0.232	S	C	.	.			trans	-113.1	171.2	-179	71.6	0	0	0	0	111.4	G385 D386 L387	T383-G385 PolarHBondContact O-N 2.65Å; T383-G385 PolarHBondContact OG1-N 3.44Å; T383-D386 WeakPolarHBondContact CA-OD2 2.96Å; T383-D386 WeakPolarHBondContact CB-OD2 3.45Å; T383-D386 PolarHBondContact N-OD2 3.24Å; T383-D386 PolarHBondContact O-N 2.51Å; T383-D386 VanDerWaalsContact O-N 3.16Å; T383-D386 PolarHBondContact OG1-N 3.39Å; T383-D386 PolarHBondContact OG1-OD2 2.94Å; T383-L387 PolarHBondContact O-N 3.33Å
384	L	96.9	Very high	97.6	Very high	64 Å²	64	39.5 Å²	39.5	34%	0.335	23%	0.232	S	C	.	.	H	α-helix	trans	-58.9	-32	169.8	-164	60.3	0	0	0	112.7	D386 L387 M388 P415 M417 V437	L384-D386 VanDerWaalsContact C-N 3.34Å; L384-L387 HydrophobicContact CD1-CD2 4.2Å; L384-L387 PolarHBondContact O-N 3.42Å; L384-M388 WeakPolarHBondContact O-CG 3.31Å; L384-M388 PolarHBondContact O-N 2.85Å; L384-P415 HydrophobicContact CB-CG 4.39Å; L384-P415 HydrophobicContact CD1-CB 4.28Å; L384-P415 HydrophobicContact CD1-CG 3.53Å; L384-P415 HydrophobicContact CD2-CB 4.39Å; L384-P415 HydrophobicContact CD2-CG 4.03Å; L384-P415 HydrophobicContact CG-CG 4.2Å; L384-M417 HydrophobicContact CD1-CE 3.08Å; L384-M417 HydrophobicContact CD2-CE 3.82Å; L384-M417 HydrophobicContact CG-CE 3.42Å; L384-M417 VanDerWaalsContact CG-CE 3.42Å; L384-V437 HydrophobicContact CD1-CG2 4.23Å
385	G	97.7	Very high	97.3	Very high	43 Å²	43	39.4 Å²	39.4	44%	0.443	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-37.1	176.8	0	0	0	0	0	112.4	T383 M388 G389	T383-G385 PolarHBondContact O-N 2.65Å; T383-G385 PolarHBondContact OG1-N 3.44Å; G385-M388 PolarHBondContact O-N 3.05Å; G385-G389 PolarHBondContact O-N 3.48Å
386	D	98.3	Very high	97	Very high	69 Å²	69	42.4 Å²	42.4	37%	0.369	25%	0.25	S	S	.	.	H	α-helix	trans	-65.6	-42	175.7	-59.2	-64.1	0	0	0	111.1	L382 T383 L384 G389 V390 I455	L382-D386 HydrophobicContact CD2-CB 4.26Å; T383-D386 WeakPolarHBondContact CA-OD2 2.96Å; T383-D386 WeakPolarHBondContact CB-OD2 3.45Å; T383-D386 PolarHBondContact N-OD2 3.24Å; T383-D386 PolarHBondContact O-N 2.51Å; T383-D386 VanDerWaalsContact O-N 3.16Å; T383-D386 PolarHBondContact OG1-N 3.39Å; T383-D386 PolarHBondContact OG1-OD2 2.94Å; L384-D386 VanDerWaalsContact C-N 3.34Å; D386-G389 PolarHBondContact O-N 2.77Å; D386-V390 WeakPolarHBondContact O-CG2 3.28Å; D386-V390 PolarHBondContact O-N 2.95Å; D386-I455 HydrophobicContact CB-CD1 4.25Å
387	L	98.3	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-48.1	173.3	178	63.6	0	0	0	111.8	T383 L384 G389 V390 L391 M417 I455 W457	T383-L387 PolarHBondContact O-N 3.33Å; L384-L387 HydrophobicContact CD1-CD2 4.2Å; L384-L387 PolarHBondContact O-N 3.42Å; L387-G389 VanDerWaalsContact C-N 3.31Å; L387-G389 PolarHBondContact O-N 3.43Å; L387-V390 PolarHBondContact O-N 3.08Å; L387-L391 HydrophobicContact CD1-CD1 3.93Å; L387-L391 HydrophobicContact CD1-CG 4.26Å; L387-L391 HydrophobicContact CG-CD1 3.89Å; L387-L391 WeakPolarHBondContact O-CB 3.43Å; L387-L391 WeakPolarHBondContact O-CD1 3.2Å; L387-L391 VanDerWaalsContact O-CG 3.24Å; L387-L391 WeakPolarHBondContact O-CG 3.23Å; L387-L391 PolarHBondContact O-N 3.34Å; L387-M417 HydrophobicContact CD2-CE 4.33Å; L387-M417 HydrophobicContact CD2-SD 4.45Å; L387-I455 HydrophobicContact CB-CB 4.1Å; L387-I455 HydrophobicContact CB-CD1 4.12Å; L387-I455 HydrophobicContact CB-CG2 4.21Å; L387-I455 HydrophobicContact CD1-CB 4.03Å; L387-I455 HydrophobicContact CD1-CG1 4.41Å; L387-I455 HydrophobicContact CG-CB 4.48Å; L387-W457 HydrophobicContact CD1-CE3 4.39Å
388	M	97.7	Very high	96.1	Very high	65 Å²	65	46.6 Å²	46.6	32%	0.32	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-41	176.3	-68.3	169	67.4	0	0	111.7	L384 G385 L391 H392 F405 M417	L384-M388 WeakPolarHBondContact O-CG 3.31Å; L384-M388 PolarHBondContact O-N 2.85Å; G385-M388 PolarHBondContact O-N 3.05Å; M388-L391 PolarHBondContact O-N 3.13Å; M388-H392 WeakPolarHBondContact O-CB 3.48Å; M388-H392 PolarHBondContact O-CD2 2.75Å; M388-H392 VanDerWaalsContact O-CD2 3.24Å; M388-H392 PolarHBondContact O-N 2.82Å; M388-F405 HydrophobicContact CB-CE2 4.25Å; M388-F405 HydrophobicContact CB-CZ 4.12Å; M388-F405 HydrophobicContact CE-CD2 3.56Å; M388-F405 HydrophobicContact CE-CE2 3.81Å; M388-F405 HydrophobicContact CE-CG 4.27Å; M388-F405 HydrophobicContact CG-CD1 4.37Å; M388-F405 HydrophobicContact CG-CD2 4.26Å; M388-F405 HydrophobicContact CG-CE1 4.31Å; M388-F405 HydrophobicContact CG-CE2 4.2Å; M388-F405 HydrophobicContact CG-CG 4.32Å; M388-F405 HydrophobicContact CG-CZ 4.21Å; M388-M417 HydrophobicContact CG-CE 3.83Å; M388-M417 HydrophobicContact CG-SD 3.88Å; M388-M417 HydrophobicContact SD-CE 4.27Å
389	G	97.8	Very high	95.5	Very high	35 Å²	35	48.2 Å²	48.2	36%	0.361	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-47	177.8	0	0	0	0	0	112.7	G385 D386 L387 H392 Q393	G385-G389 PolarHBondContact O-N 3.48Å; D386-G389 PolarHBondContact O-N 2.77Å; L387-G389 VanDerWaalsContact C-N 3.31Å; L387-G389 PolarHBondContact O-N 3.43Å; G389-H392 PolarHBondContact O-N 3.2Å; G389-Q393 WeakPolarHBondContact O-CG 3.24Å; G389-Q393 PolarHBondContact O-N 2.77Å
390	V	97.9	Very high	95	Very high	33 Å²	33	47.7 Å²	47.7	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-45.1	176	172.3	0	0	0	0	110.8	M241 F243 D386 L387 H392 Q393 F394 W457	M241-V390 HydrophobicContact CE-CG1 4.08Å; F243-V390 HydrophobicContact CZ-CG1 4.29Å; D386-V390 WeakPolarHBondContact O-CG2 3.28Å; D386-V390 PolarHBondContact O-N 2.95Å; L387-V390 PolarHBondContact O-N 3.08Å; V390-H392 PolarHBondContact O-N 2.73Å; V390-Q393 PolarHBondContact O-N 2.69Å; V390-F394 WeakPolarHBondContact O-CB 3.35Å; V390-F394 PolarHBondContact O-N 3.23Å; V390-W457 HydrophobicContact CG1-CE3 4.43Å; V390-W457 HydrophobicContact CG1-CH2 3.39Å; V390-W457 HydrophobicContact CG1-CZ2 4.11Å; V390-W457 HydrophobicContact CG1-CZ3 3.6Å
391	L	97.3	Very high	94.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-43	176.6	-73.6	167.3	0	0	0	112	L387 M388 Q393 F394 F395 F405 M417 V419 S435 W457	L387-L391 HydrophobicContact CD1-CD1 3.93Å; L387-L391 HydrophobicContact CD1-CG 4.26Å; L387-L391 HydrophobicContact CG-CD1 3.89Å; L387-L391 WeakPolarHBondContact O-CB 3.43Å; L387-L391 WeakPolarHBondContact O-CD1 3.2Å; L387-L391 VanDerWaalsContact O-CG 3.24Å; L387-L391 WeakPolarHBondContact O-CG 3.23Å; L387-L391 PolarHBondContact O-N 3.34Å; M388-L391 PolarHBondContact O-N 3.13Å; L391-Q393 PolarHBondContact O-N 2.56Å; L391-F394 PolarHBondContact O-N 2.94Å; L391-F395 HydrophobicContact CD2-CE2 4.1Å; L391-F395 WeakPolarHBondContact O-CB 3.01Å; L391-F395 VanDerWaalsContact O-CD2 3.25Å; L391-F395 WeakPolarHBondContact O-CD2 3.17Å; L391-F395 PolarHBondContact O-N 3.21Å; L391-F405 HydrophobicContact CB-CE1 4.13Å; L391-F405 HydrophobicContact CB-CZ 4.43Å; L391-F405 HydrophobicContact CD1-CE1 3.89Å; L391-M417 HydrophobicContact CD1-SD 4.42Å; L391-V419 HydrophobicContact CD1-CG2 3.78Å; L391-V419 HydrophobicContact CD2-CG2 4.33Å; L391-S435 WeakPolarHBondContact CD1-OG 3.24Å; L391-W457 HydrophobicContact CD2-CB 3.69Å; L391-W457 HydrophobicContact CD2-CD2 3.97Å; L391-W457 HydrophobicContact CD2-CG 3.44Å; L391-W457 VanDerWaalsContact CD2-CG 3.44Å; L391-W457 HydrophobicContact CG-CG 4.5Å
392	H	96.1	Very high	94.4	Very high	69 Å²	69	50 Å²	50	32%	0.319	29%	0.287	S	S	.	.	H	α-helix	trans	-58	-46.5	174.3	-93.3	-70.3	0	0	0	112	M388 G389 V390 T396 F405	M388-H392 WeakPolarHBondContact O-CB 3.48Å; M388-H392 PolarHBondContact O-CD2 2.75Å; M388-H392 VanDerWaalsContact O-CD2 3.24Å; M388-H392 PolarHBondContact O-N 2.82Å; G389-H392 PolarHBondContact O-N 3.2Å; V390-H392 PolarHBondContact O-N 2.73Å; H392-T396 VanDerWaalsContact O-CB 3.26Å; H392-T396 WeakPolarHBondContact O-CB 3.45Å; H392-T396 PolarHBondContact O-N 3.4Å; H392-T396 PolarHBondContact O-OG1 3.09Å; H392-F405 AromaticContact CD2-CE2 3.85Å; H392-F405 AromaticContact CD2-CZ 3.8Å; H392-F405 AromaticContact NE2-CE2 3.42Å; H392-F405 WeakPolarHBondContact NE2-CE2 3.28Å; H392-F405 AromaticContact NE2-CZ 3.79Å
393	Q	96.3	Very high	94.2	Very high	117 Å²	117	49.5 Å²	49.5	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-65.6	-42.7	178.2	-67.7	-58.1	-42.7	0	0	112.1	M241 G389 V390 L391 T396 K397	M241-Q393 HydrophobicContact CE-CB 4.06Å; G389-Q393 WeakPolarHBondContact O-CG 3.24Å; G389-Q393 PolarHBondContact O-N 2.77Å; V390-Q393 PolarHBondContact O-N 2.69Å; L391-Q393 PolarHBondContact O-N 2.56Å; Q393-T396 PolarHBondContact O-N 3.4Å; Q393-K397 PolarHBondContact O-N 3.44Å; Q393-K397 VanDerWaalsContact O-N 3.12Å
394	F	95.5	Very high	94.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-51.5	177.6	178.9	-96.7	0	0	0	111.9	F234 I237 F238 M241 V390 L391 K397 L398 W457 L459	F234-F394 HydrophobicContact CD1-CE1 4.47Å; F234-F394 HydrophobicContact CD1-CE2 4.37Å; F234-F394 AromaticContact CD1-CZ 3.66Å; F234-F394 HydrophobicContact CD1-CZ 3.66Å; F234-F394 HydrophobicContact CE1-CE1 4.09Å; F234-F394 AromaticContact CE1-CZ 3.72Å; F234-F394 HydrophobicContact CE1-CZ 3.72Å; I237-F394 HydrophobicContact CG2-CD2 3.83Å; I237-F394 HydrophobicContact CG2-CE2 4.01Å; F238-F394 HydrophobicContact CD1-CE2 4.34Å; F238-F394 HydrophobicContact CD2-CE2 4.16Å; F238-F394 HydrophobicContact CE1-CD2 4.27Å; F238-F394 AromaticContact CE1-CE2 3.85Å; F238-F394 HydrophobicContact CE1-CE2 3.85Å; F238-F394 AromaticContact CE2-CE2 3.6Å; F238-F394 HydrophobicContact CE2-CE2 3.6Å; F238-F394 HydrophobicContact CE2-CZ 4.06Å; F238-F394 HydrophobicContact CG-CE2 4.5Å; F238-F394 HydrophobicContact CZ-CD2 4.27Å; F238-F394 AromaticContact CZ-CE2 3.43Å; F238-F394 HydrophobicContact CZ-CE2 3.43Å; F238-F394 VanDerWaalsContact CZ-CE2 3.43Å; F238-F394 AromaticContact CZ-CZ 3.95Å; F238-F394 HydrophobicContact CZ-CZ 3.95Å; M241-F394 HydrophobicContact CE-CB 4Å; M241-F394 HydrophobicContact SD-CB 3.99Å; M241-F394 HydrophobicContact SD-CD2 3.98Å; M241-F394 HydrophobicContact SD-CG 4.49Å; V390-F394 WeakPolarHBondContact O-CB 3.35Å; V390-F394 PolarHBondContact O-N 3.23Å; L391-F394 PolarHBondContact O-N 2.94Å; F394-K397 PolarHBondContact O-N 3.2Å; F394-L398 HydrophobicContact CD1-CD1 3.97Å; F394-L398 HydrophobicContact CE1-CD1 3.56Å; F394-L398 HydrophobicContact CZ-CD1 4.14Å; F394-L398 PolarHBondContact O-N 2.89Å; F394-W457 AromaticContact CD1-NE1 3.96Å; F394-W457 HydrophobicContact CD2-CZ2 4.05Å; F394-W457 AromaticContact CE1-NE1 3.97Å; F394-W457 HydrophobicContact CE2-CZ2 4.49Å; F394-W457 HydrophobicContact CG-CZ2 4.31Å; F394-L459 HydrophobicContact CE1-CD2 3.73Å; F394-L459 HydrophobicContact CZ-CD2 4.13Å
395	F	92.5	Very high	94.2	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-71.6	-29.5	179.4	-79.3	-67	0	0	0	113.1	L391 K397 L398 G399 I400 L403 V419 V432 L459	L391-F395 HydrophobicContact CD2-CE2 4.1Å; L391-F395 WeakPolarHBondContact O-CB 3.01Å; L391-F395 VanDerWaalsContact O-CD2 3.25Å; L391-F395 WeakPolarHBondContact O-CD2 3.17Å; L391-F395 PolarHBondContact O-N 3.21Å; F395-K397 VanDerWaalsContact C-N 3.34Å; F395-K397 PolarHBondContact O-N 3.08Å; F395-L398 HydrophobicContact CD1-CD1 3.82Å; F395-L398 HydrophobicContact CE1-CD1 4.17Å; F395-L398 CarbonylContact O-C 3.54Å; F395-L398 VanDerWaalsContact O-CA 3.27Å; F395-L398 WeakPolarHBondContact O-CA 3.28Å; F395-L398 VanDerWaalsContact O-CB 3.28Å; F395-L398 WeakPolarHBondContact O-CB 3.05Å; F395-L398 PolarHBondContact O-N 2.94Å; F395-G399 PolarHBondContact O-N 2.88Å; F395-I400 CarbonylContact C-O 3.44Å; F395-I400 HydrophobicContact CB-CB 4.12Å; F395-I400 HydrophobicContact CB-CG2 4.32Å; F395-I400 HydrophobicContact CD1-CB 4.33Å; F395-I400 HydrophobicContact CD1-CD1 3.97Å; F395-I400 HydrophobicContact CD1-CG2 4.41Å; F395-I400 HydrophobicContact CE1-CD1 4.5Å; F395-I400 WeakPolarHBondContact O-CA 3.37Å; F395-I400 WeakPolarHBondContact O-CB 3.48Å; F395-I400 PolarHBondContact O-N 3.43Å; F395-I400 VanDerWaalsContact O-O 3.11Å; F395-L403 HydrophobicContact CB-CD1 3.75Å; F395-L403 HydrophobicContact CB-CD2 4.04Å; F395-L403 HydrophobicContact CB-CG 4.36Å; F395-L403 HydrophobicContact CD2-CD1 3.86Å; F395-L403 HydrophobicContact CD2-CD2 4.05Å; F395-L403 HydrophobicContact CG-CD1 4.13Å; F395-L403 HydrophobicContact CG-CD2 3.98Å; F395-V419 HydrophobicContact CD2-CG1 4.22Å; F395-V419 HydrophobicContact CE2-CB 4.27Å; F395-V419 HydrophobicContact CE2-CG1 3.75Å; F395-V419 HydrophobicContact CZ-CG1 4.43Å; F395-V432 HydrophobicContact CD1-CG2 4.45Å; F395-V432 HydrophobicContact CE1-CB 3.83Å; F395-V432 HydrophobicContact CE1-CG2 3.69Å; F395-V432 HydrophobicContact CE2-CG2 4.11Å; F395-V432 HydrophobicContact CZ-CB 3.92Å; F395-V432 HydrophobicContact CZ-CG2 3.5Å; F395-L459 HydrophobicContact CZ-CD2 4.47Å
396	T	92.2	Very high	94.1	Very high	64 Å²	64	55.3 Å²	55.3	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-41.9	173.2	-61.6	0	0	0	0	111	H392 Q393 L398 G399 I400	H392-T396 VanDerWaalsContact O-CB 3.26Å; H392-T396 WeakPolarHBondContact O-CB 3.45Å; H392-T396 PolarHBondContact O-N 3.4Å; H392-T396 PolarHBondContact O-OG1 3.09Å; Q393-T396 PolarHBondContact O-N 3.4Å; T396-L398 PolarHBondContact O-N 3.29Å; T396-G399 PolarHBondContact O-N 2.74Å; T396-I400 PolarHBondContact N-O 2.82Å
397	K	91	Very high	94.1	Very high	83 Å²	83	57.4 Å²	57.4	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-18.1	171.6	-74	-179.1	167.4	-73.5	0	113.2	I237 E240 M241 Q393 F394 F395	I237-K397 HydrophobicContact CD1-CB 4.11Å; I237-K397 HydrophobicContact CG1-CB 4.1Å; I237-K397 HydrophobicContact CG2-CB 3.96Å; I237-K397 HydrophobicContact CG2-CD 3.95Å; E240-K397 IonicContact OE2-NZ 2.64Å; E240-K397 PolarHBondContact OE2-NZ 3.33Å; M241-K397 HydrophobicContact CG-CD 3.96Å; M241-K397 HydrophobicContact SD-CD 4.2Å; Q393-K397 PolarHBondContact O-N 3.44Å; Q393-K397 VanDerWaalsContact O-N 3.12Å; F394-K397 PolarHBondContact O-N 3.2Å; F395-K397 VanDerWaalsContact C-N 3.34Å; F395-K397 PolarHBondContact O-N 3.08Å
398	L	86.8	Confident	94	Very high	14 Å²	14	58.9 Å²	58.9	7%	0.073	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.8	170.3	-64.5	169.9	0	0	0	114.2	F234 I237 F394 F395 T396 I400 L495	F234-L398 HydrophobicContact CD1-CD1 4.42Å; F234-L398 HydrophobicContact CD1-CD2 4.16Å; F234-L398 HydrophobicContact CE1-CD1 3.53Å; F234-L398 HydrophobicContact CE1-CD2 3.73Å; F234-L398 HydrophobicContact CE1-CG 4.28Å; F234-L398 HydrophobicContact CE2-CD2 4.37Å; F234-L398 HydrophobicContact CZ-CD1 3.97Å; F234-L398 HydrophobicContact CZ-CD2 3.83Å; I237-L398 HydrophobicContact CD1-CD2 3.34Å; I237-L398 HydrophobicContact CD1-CG 3.86Å; F394-L398 HydrophobicContact CD1-CD1 3.97Å; F394-L398 HydrophobicContact CE1-CD1 3.56Å; F394-L398 HydrophobicContact CZ-CD1 4.14Å; F394-L398 PolarHBondContact O-N 2.89Å; F395-L398 HydrophobicContact CD1-CD1 3.82Å; F395-L398 HydrophobicContact CE1-CD1 4.17Å; F395-L398 CarbonylContact O-C 3.54Å; F395-L398 VanDerWaalsContact O-CA 3.27Å; F395-L398 WeakPolarHBondContact O-CA 3.28Å; F395-L398 VanDerWaalsContact O-CB 3.28Å; F395-L398 WeakPolarHBondContact O-CB 3.05Å; F395-L398 PolarHBondContact O-N 2.94Å; T396-L398 PolarHBondContact O-N 3.29Å; L398-I400 HydrophobicContact CB-CD1 4.27Å; L398-I400 HydrophobicContact CB-CG1 4.44Å; L398-I400 PolarHBondContact O-N 3.39Å; L398-L495 HydrophobicContact CD2-CD1 3.69Å; L398-L495 HydrophobicContact CD2-CD2 4.24Å; L398-L495 WeakPolarHBondContact O-CD2 3.47Å
399	G	86.6	Confident	93.8	Very high	35 Å²	35	63.3 Å²	63.3	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	14.4	-173.6	0	0	0	0	0	113.4	F395 T396	F395-G399 PolarHBondContact O-N 2.88Å; T396-G399 PolarHBondContact O-N 2.74Å
400	I	87.5	Confident	93.6	Very high	48 Å²	48	62.5 Å²	62.5	25%	0.246	32%	0.315	C	S	.	.			trans	-108	108.9	-177.5	-63.2	169.7	0	0	0	109.5	F395 T396 L398 L403 S421	F395-I400 CarbonylContact C-O 3.44Å; F395-I400 HydrophobicContact CB-CB 4.12Å; F395-I400 HydrophobicContact CB-CG2 4.32Å; F395-I400 HydrophobicContact CD1-CB 4.33Å; F395-I400 HydrophobicContact CD1-CD1 3.97Å; F395-I400 HydrophobicContact CD1-CG2 4.41Å; F395-I400 HydrophobicContact CE1-CD1 4.5Å; F395-I400 WeakPolarHBondContact O-CA 3.37Å; F395-I400 WeakPolarHBondContact O-CB 3.48Å; F395-I400 PolarHBondContact O-N 3.43Å; F395-I400 VanDerWaalsContact O-O 3.11Å; T396-I400 PolarHBondContact N-O 2.82Å; L398-I400 HydrophobicContact CB-CD1 4.27Å; L398-I400 HydrophobicContact CB-CG1 4.44Å; L398-I400 PolarHBondContact O-N 3.39Å; I400-L403 HydrophobicContact CG2-CD2 3.68Å; I400-S421 WeakPolarHBondContact CG2-OG 3.27Å
401	T	88.4	Confident	93.4	Very high	101 Å²	101	61.5 Å²	61.5	62%	0.62	31%	0.309	S	S	*	.			trans	-107.4	-28.2	-176	55.2	0	0	0	0	113.8	L403	T401-L403 PolarHBondContact O-N 2.82Å; T401-L403 VanDerWaalsContact O-N 3.14Å
402	K	92.1	Very high	93.3	Very high	100 Å²	100	63.3 Å²	63.3	44%	0.435	32%	0.316	S	S	.	.			trans	-85.3	83.9	-178.6	-67.1	-179.5	-179.1	176.1	0	110.7	S421 Y422 E424 W429	K402-S421 VanDerWaalsContact O-CA 3.29Å; K402-S421 WeakPolarHBondContact O-CA 3.41Å; K402-Y422 HydrophobicContact CD-CD1 4.32Å; K402-Y422 PolarHBondContact O-N 3.07Å; K402-E424 IonicContact NZ-OE1 3.36Å; K402-E424 PolarHBondContact NZ-OE1 2.73Å; K402-W429 HydrophobicContact CB-CH2 4.25Å; K402-W429 VanDerWaalsContact O-CZ3 3.25Å; K402-W429 WeakPolarHBondContact O-CZ3 3.49Å
403	L	94.8	Very high	93.3	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.6	178	-60.1	179.8	0	0	0	112.9	F395 I400 T401 F405 V419 F420	F395-L403 HydrophobicContact CB-CD1 3.75Å; F395-L403 HydrophobicContact CB-CD2 4.04Å; F395-L403 HydrophobicContact CB-CG 4.36Å; F395-L403 HydrophobicContact CD2-CD1 3.86Å; F395-L403 HydrophobicContact CD2-CD2 4.05Å; F395-L403 HydrophobicContact CG-CD1 4.13Å; F395-L403 HydrophobicContact CG-CD2 3.98Å; I400-L403 HydrophobicContact CG2-CD2 3.68Å; T401-L403 PolarHBondContact O-N 2.82Å; T401-L403 VanDerWaalsContact O-N 3.14Å; L403-F405 HydrophobicContact CB-CZ 4.44Å; L403-F405 HydrophobicContact CD1-CZ 4.45Å; L403-V419 HydrophobicContact CD2-CG1 4.07Å; L403-F420 CarbonylContact C-O 3.49Å; L403-F420 WeakPolarHBondContact CA-O 3.21Å
404	R	96.1	Very high	93.2	Very high	150 Å²	150	60.4 Å²	60.4	57%	0.566	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.1	166.1	-78.1	-179.8	-178.3	-178.5	1	109.6	F420 W429	R404-F420 HydrophobicContact CB-CB 4.43Å; R404-F420 PolarHBondContact N-O 3.13Å; R404-F420 PolarHBondContact O-N 2.88Å; R404-W429 HydrophobicContact CB-CE3 4.1Å; R404-W429 HydrophobicContact CB-CH2 4.3Å; R404-W429 HydrophobicContact CB-CZ3 3.81Å; R404-W429 VanDerWaalsContact CD-CZ2 3.49Å; R404-W429 HydrophobicContact CG-CE3 4.11Å; R404-W429 HydrophobicContact CG-CH2 3.51Å; R404-W429 HydrophobicContact CG-CZ2 4.02Å; R404-W429 HydrophobicContact CG-CZ3 3.55Å; R404-W429 VanDerWaalsContact CZ-CZ2 3.4Å
405	F	96.6	Very high	93.2	Very high	48 Å²	48	63.2 Å²	63.2	21%	0.211	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.5	178.4	-54.5	-84.1	0	0	0	109.3	M388 L391 H392 L403 M417 E418 V419	M388-F405 HydrophobicContact CB-CE2 4.25Å; M388-F405 HydrophobicContact CB-CZ 4.12Å; M388-F405 HydrophobicContact CE-CD2 3.56Å; M388-F405 HydrophobicContact CE-CE2 3.81Å; M388-F405 HydrophobicContact CE-CG 4.27Å; M388-F405 HydrophobicContact CG-CD1 4.37Å; M388-F405 HydrophobicContact CG-CD2 4.26Å; M388-F405 HydrophobicContact CG-CE1 4.31Å; M388-F405 HydrophobicContact CG-CE2 4.2Å; M388-F405 HydrophobicContact CG-CG 4.32Å; M388-F405 HydrophobicContact CG-CZ 4.21Å; L391-F405 HydrophobicContact CB-CE1 4.13Å; L391-F405 HydrophobicContact CB-CZ 4.43Å; L391-F405 HydrophobicContact CD1-CE1 3.89Å; H392-F405 AromaticContact CD2-CE2 3.85Å; H392-F405 AromaticContact CD2-CZ 3.8Å; H392-F405 AromaticContact NE2-CE2 3.42Å; H392-F405 WeakPolarHBondContact NE2-CE2 3.28Å; H392-F405 AromaticContact NE2-CZ 3.79Å; L403-F405 HydrophobicContact CB-CZ 4.44Å; L403-F405 HydrophobicContact CD1-CZ 4.45Å; F405-M417 HydrophobicContact CB-SD 3.93Å; F405-M417 HydrophobicContact CD1-CG 4.34Å; F405-M417 HydrophobicContact CD1-SD 3.31Å; F405-M417 WeakPolarHBondContact CD1-SD 3.49Å; F405-M417 HydrophobicContact CE1-SD 4.05Å; F405-M417 HydrophobicContact CG-SD 3.84Å; F405-E418 WeakPolarHBondContact CA-O 3.4Å; F405-V419 HydrophobicContact CD1-CB 4.47Å; F405-V419 HydrophobicContact CD1-CG1 4.22Å; F405-V419 HydrophobicContact CD1-CG2 3.96Å; F405-V419 HydrophobicContact CE1-CB 4.49Å; F405-V419 HydrophobicContact CE1-CG1 3.91Å; F405-V419 HydrophobicContact CE1-CG2 3.96Å
406	K	97.3	Very high	93.4	Very high	105 Å²	105	63.7 Å²	63.7	46%	0.457	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.5	179.5	175.6	-175.4	154.8	-130.7	0	108.3	A408 M417 E418 F420	K406-A408 PolarHBondContact O-N 2.85Å; K406-M417 CarbonylContact O-C 3.49Å; K406-M417 WeakPolarHBondContact O-CA 3.39Å; K406-E418 HydrophobicContact CB-CB 4.49Å; K406-E418 PolarHBondContact N-O 2.91Å; K406-E418 IonicContact NZ-OE2 3.54Å; K406-E418 PolarHBondContact NZ-OE2 3.26Å; K406-E418 PolarHBondContact O-N 2.91Å; K406-F420 HydrophobicContact CB-CD2 4.17Å; K406-F420 HydrophobicContact CB-CE2 3.87Å; K406-F420 HydrophobicContact CD-CE2 3.89Å; K406-F420 HydrophobicContact CD-CZ 4.27Å
407	P	97.6	Very high	93.7	Very high	112 Å²	112	61 Å²	61	73%	0.727	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	137.7	173.4	-26.1	34.9	0	0	0	111.6
408	A	95.6	Very high	94	Very high	31 Å²	31	59 Å²	59	26%	0.256	30%	0.3	S	S	.	.			trans	-135	-176.9	-178.6	0	0	0	0	0	110.4	K406 S416 E418	K406-A408 PolarHBondContact O-N 2.85Å; A408-S416 PolarHBondContact N-O 3.21Å; A408-S416 WeakPolarHBondContact O-CB 3.12Å; A408-E418 HydrophobicContact CB-CG 3.84Å
409	Y	94.5	Very high	94.4	Very high	158 Å²	158	58.3 Å²	58.3	62%	0.62	30%	0.297	S	S	*	.			trans	-130.1	124.4	172.9	171.3	-97.5	0	0	0	108.9	P411	Y409-P411 HydrophobicContact CE1-CG 4.13Å
410	N	94.1	Very high	94.7	Very high	18 Å²	18	58.7 Å²	58.7	10%	0.096	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-126.1	143	159.1	-45.7	-59.2	0	0	0	108.3	Y412 T413 S416 N434	N410-Y412 HydrophobicContact CB-CD2 4.41Å; N410-Y412 HydrophobicContact CB-CE2 4.13Å; N410-Y412 PolarHBondContact O-N 2.89Å; N410-Y412 VanDerWaalsContact O-N 3.1Å; N410-T413 WeakPolarHBondContact CB-OG1 3.25Å; N410-T413 PolarHBondContact ND2-OG1 3.3Å; N410-T413 PolarHBondContact O-N 2.77Å; N410-S416 PolarHBondContact N-OG 3.25Å; N410-N434 PolarHBondContact ND2-OD1 2.91Å; N410-N434 PolarHBondContact OD1-ND2 2.94Å; N410-N434 PolarHBondContact OD1-OD1 3.18Å
411	P	93.1	Very high	95	Very high	12 Å²	12	57.1 Å²	57.1	8%	0.078	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.9	-177.9	-26.8	34.9	0	0	0	114.2	Q264 Y409 R439	Q264-P411 HydrophobicContact CB-CB 4.17Å; Q264-P411 HydrophobicContact CG-CB 4Å; Q264-P411 HydrophobicContact CG-CG 4.09Å; Y409-P411 HydrophobicContact CE1-CG 4.13Å; P411-R439 WeakPolarHBondContact O-CD 3.27Å
412	Y	94.4	Very high	95	Very high	39 Å²	39	55.5 Å²	55.5	15%	0.153	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	1.8	-171.7	46.8	-100.8	0	0	0	114	L262 T329 N410 F438 R439	L262-Y412 HydrophobicContact CB-CD1 4.21Å; L262-Y412 HydrophobicContact CB-CG 4.29Å; L262-Y412 HydrophobicContact CD1-CD1 4.3Å; L262-Y412 WeakPolarHBondContact O-CB 3.37Å; T329-Y412 HydrophobicContact CG2-CD2 4.36Å; T329-Y412 HydrophobicContact CG2-CE2 4.09Å; N410-Y412 HydrophobicContact CB-CD2 4.41Å; N410-Y412 HydrophobicContact CB-CE2 4.13Å; N410-Y412 PolarHBondContact O-N 2.89Å; N410-Y412 VanDerWaalsContact O-N 3.1Å; Y412-F438 HydrophobicContact CD2-CD1 4.1Å; Y412-F438 AromaticContact CD2-CE1 3.81Å; Y412-F438 HydrophobicContact CD2-CE1 3.81Å; Y412-F438 HydrophobicContact CE2-CE1 4.31Å; Y412-F438 WeakPolarHBondContact O-CA 3.37Å; Y412-R439 PolarHBondContact O-N 3.18Å
413	T	96.1	Very high	94.7	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.043	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.7	176.6	51.4	0	0	0	0	114.1	N410 S416 V437 F438	N410-T413 WeakPolarHBondContact CB-OG1 3.25Å; N410-T413 PolarHBondContact ND2-OG1 3.3Å; N410-T413 PolarHBondContact O-N 2.77Å; T413-S416 WeakPolarHBondContact CB-OG 3.46Å; T413-S416 PolarHBondContact O-OG 3.02Å; T413-S416 PolarHBondContact OG1-OG 3.35Å; T413-V437 CarbonylContact C-O 3.56Å; T413-V437 WeakPolarHBondContact CA-O 3.31Å; T413-V437 VanDerWaalsContact CB-O 3.23Å; T413-V437 WeakPolarHBondContact CB-O 3.38Å; T413-F438 HydrophobicContact CG2-CD1 3.63Å; T413-F438 HydrophobicContact CG2-CE1 4.1Å
414	E	93.4	Very high	94.1	Very high	119 Å²	119	57.4 Å²	57.4	56%	0.556	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.6	114.9	169.5	-172.3	170.7	-178.6	0	0	109.7	V437 R439	E414-V437 PolarHBondContact N-O 2.84Å; E414-R439 HydrophobicContact CB-CG 4.09Å; E414-R439 IonicContact OE2-CZ 3.55Å; E414-R439 IonicContact OE2-NH1 2.93Å; E414-R439 PolarHBondContact OE2-NH1 3.19Å; E414-R439 IonicContact OE2-NH2 3.57Å; E414-R439 PolarHBondContact OE2-NH2 2.79Å; E414-R439 VanDerWaalsContact OE2-NH2 3.13Å
415	P	96.7	Very high	93.3	Very high	59 Å²	59	53.5 Å²	53.5	38%	0.383	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-73.1	161.5	-3.5	31.8	-38.7	0	0	0	114.2	L384 G436 V437	L384-P415 HydrophobicContact CB-CG 4.39Å; L384-P415 HydrophobicContact CD1-CB 4.28Å; L384-P415 HydrophobicContact CD1-CG 3.53Å; L384-P415 HydrophobicContact CD2-CB 4.39Å; L384-P415 HydrophobicContact CD2-CG 4.03Å; L384-P415 HydrophobicContact CG-CG 4.2Å; P415-G436 CarbonylContact O-C 3.54Å; P415-G436 VanDerWaalsContact O-CA 3.22Å; P415-G436 WeakPolarHBondContact O-CA 3.37Å; P415-V437 HydrophobicContact CG-CG2 3.98Å; P415-V437 PolarHBondContact O-N 3.06Å
416	S	97.3	Very high	92.6	Very high	14 Å²	14	56 Å²	56	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.3	175.4	-51.5	0	0	0	0	111.7	A408 N410 T413 S435	A408-S416 PolarHBondContact N-O 3.21Å; A408-S416 WeakPolarHBondContact O-CB 3.12Å; N410-S416 PolarHBondContact N-OG 3.25Å; T413-S416 WeakPolarHBondContact CB-OG 3.46Å; T413-S416 PolarHBondContact O-OG 3.02Å; T413-S416 PolarHBondContact OG1-OG 3.35Å; S416-S435 CarbonylContact C-O 3.55Å; S416-S435 WeakPolarHBondContact CA-O 3.34Å
417	M	97.4	Very high	92.2	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.039	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.4	174.7	69.1	-179.1	64.1	0	0	113.2	L384 L387 M388 L391 F405 K406 S435	L384-M417 HydrophobicContact CD1-CE 3.08Å; L384-M417 HydrophobicContact CD2-CE 3.82Å; L384-M417 HydrophobicContact CG-CE 3.42Å; L384-M417 VanDerWaalsContact CG-CE 3.42Å; L387-M417 HydrophobicContact CD2-CE 4.33Å; L387-M417 HydrophobicContact CD2-SD 4.45Å; M388-M417 HydrophobicContact CG-CE 3.83Å; M388-M417 HydrophobicContact CG-SD 3.88Å; M388-M417 HydrophobicContact SD-CE 4.27Å; L391-M417 HydrophobicContact CD1-SD 4.42Å; F405-M417 HydrophobicContact CB-SD 3.93Å; F405-M417 HydrophobicContact CD1-CG 4.34Å; F405-M417 HydrophobicContact CD1-SD 3.31Å; F405-M417 WeakPolarHBondContact CD1-SD 3.49Å; F405-M417 HydrophobicContact CE1-SD 4.05Å; F405-M417 HydrophobicContact CG-SD 3.84Å; K406-M417 CarbonylContact O-C 3.49Å; K406-M417 WeakPolarHBondContact O-CA 3.39Å; M417-S435 WeakPolarHBondContact CG-OG 3.32Å; M417-S435 PolarHBondContact N-O 3.09Å; M417-S435 PolarHBondContact O-N 3.37Å; M417-S435 VanDerWaalsContact O-O 3.07Å; M417-S435 PolarHBondContact O-OG 3.45Å
418	E	97	Very high	91.9	Very high	39 Å²	39	59.1 Å²	59.1	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.4	162.4	-74.3	164	173	0	0	109.7	F405 K406 A408 F420	F405-E418 WeakPolarHBondContact CA-O 3.4Å; K406-E418 HydrophobicContact CB-CB 4.49Å; K406-E418 PolarHBondContact N-O 2.91Å; K406-E418 IonicContact NZ-OE2 3.54Å; K406-E418 PolarHBondContact NZ-OE2 3.26Å; K406-E418 PolarHBondContact O-N 2.91Å; A408-E418 HydrophobicContact CB-CG 3.84Å; E418-F420 HydrophobicContact CB-CD2 4.21Å; E418-F420 HydrophobicContact CB-CE2 3.54Å; E418-F420 HydrophobicContact CB-CZ 4.37Å; E418-F420 HydrophobicContact CG-CE2 4.48Å; E418-F420 WeakPolarHBondContact OE2-CE2 3.23Å
419	V	95.1	Very high	91.7	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.3	176.4	-167.8	0	0	0	0	109	L391 F395 L403 F405 V432 G433	L391-V419 HydrophobicContact CD1-CG2 3.78Å; L391-V419 HydrophobicContact CD2-CG2 4.33Å; F395-V419 HydrophobicContact CD2-CG1 4.22Å; F395-V419 HydrophobicContact CE2-CB 4.27Å; F395-V419 HydrophobicContact CE2-CG1 3.75Å; F395-V419 HydrophobicContact CZ-CG1 4.43Å; L403-V419 HydrophobicContact CD2-CG1 4.07Å; F405-V419 HydrophobicContact CD1-CB 4.47Å; F405-V419 HydrophobicContact CD1-CG1 4.22Å; F405-V419 HydrophobicContact CD1-CG2 3.96Å; F405-V419 HydrophobicContact CE1-CB 4.49Å; F405-V419 HydrophobicContact CE1-CG1 3.91Å; F405-V419 HydrophobicContact CE1-CG2 3.96Å; V419-V432 HydrophobicContact CB-CG2 4.06Å; V419-V432 HydrophobicContact CG1-CG2 3.83Å; V419-V432 VanDerWaalsContact O-CG2 3.3Å; V419-V432 WeakPolarHBondContact O-CG2 3.49Å; V419-V432 PolarHBondContact O-N 2.92Å; V419-G433 PolarHBondContact N-O 2.83Å; V419-G433 PolarHBondContact O-N 3.41Å
420	F	94.7	Very high	91.5	Very high	42 Å²	42	55.5 Å²	55.5	18%	0.184	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.9	178.1	-71.9	-98.9	0	0	0	110.8	L403 R404 K406 E418 W429 V430 E431	L403-F420 CarbonylContact C-O 3.49Å; L403-F420 WeakPolarHBondContact CA-O 3.21Å; R404-F420 HydrophobicContact CB-CB 4.43Å; R404-F420 PolarHBondContact N-O 3.13Å; R404-F420 PolarHBondContact O-N 2.88Å; K406-F420 HydrophobicContact CB-CD2 4.17Å; K406-F420 HydrophobicContact CB-CE2 3.87Å; K406-F420 HydrophobicContact CD-CE2 3.89Å; K406-F420 HydrophobicContact CD-CZ 4.27Å; E418-F420 HydrophobicContact CB-CD2 4.21Å; E418-F420 HydrophobicContact CB-CE2 3.54Å; E418-F420 HydrophobicContact CB-CZ 4.37Å; E418-F420 HydrophobicContact CG-CE2 4.48Å; E418-F420 WeakPolarHBondContact OE2-CE2 3.23Å; F420-W429 HydrophobicContact CB-CB 4.48Å; F420-W429 HydrophobicContact CB-CE3 3.98Å; F420-W429 HydrophobicContact CD1-CB 4.39Å; F420-V430 CarbonylContact C-O 3.57Å; F420-V430 WeakPolarHBondContact CA-O 3.42Å; F420-E431 HydrophobicContact CD1-CB 4.18Å; F420-E431 HydrophobicContact CE1-CB 3.78Å; F420-E431 HydrophobicContact CE1-CG 4.48Å; F420-E431 HydrophobicContact CZ-CB 4.11Å; F420-E431 HydrophobicContact CZ-CG 4.34Å
421	S	92.4	Very high	91.3	Very high	15 Å²	15	57.8 Å²	57.8	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.8	171.5	178.4	0	0	0	0	111.5	I400 K402 H423 W429 V430	I400-S421 WeakPolarHBondContact CG2-OG 3.27Å; K402-S421 VanDerWaalsContact O-CA 3.29Å; K402-S421 WeakPolarHBondContact O-CA 3.41Å; S421-H423 PolarHBondContact O-N 3.08Å; S421-W429 WeakPolarHBondContact O-CA 3.36Å; S421-V430 PolarHBondContact N-O 2.82Å; S421-V430 PolarHBondContact O-N 2.89Å
422	Y	89.5	Confident	91.2	Very high	67 Å²	67	58.4 Å²	58.4	26%	0.263	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.1	174.1	-169.6	-97.4	0	0	0	110.8	K402 K427 W429	K402-Y422 HydrophobicContact CD-CD1 4.32Å; K402-Y422 PolarHBondContact O-N 3.07Å; Y422-K427 WeakPolarHBondContact OH-CA 3.49Å; Y422-K427 PolarHBondContact OH-O 2.79Å; Y422-W429 AromaticContact CD2-CD1 3.91Å; Y422-W429 HydrophobicContact CD2-CD2 4.18Å; Y422-W429 AromaticContact CD2-CE2 3.85Å; Y422-W429 HydrophobicContact CD2-CG 4.2Å; Y422-W429 HydrophobicContact CD2-CZ2 4.35Å; Y422-W429 AromaticContact CD2-NE1 3.68Å
423	H	84.4	Confident	91.2	Very high	51 Å²	51	56.8 Å²	56.8	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.3	179.8	-173.9	-90.1	0	0	0	111	S421 G425 L426 K427 K428 V430 I467	S421-H423 PolarHBondContact O-N 3.08Å; H423-G425 PolarHBondContact ND1-N 3.22Å; H423-G425 PolarHBondContact O-N 2.79Å; H423-L426 HydrophobicContact CB-CB 4.28Å; H423-L426 WeakPolarHBondContact ND1-CB 3.48Å; H423-L426 VanDerWaalsContact ND1-CG 3.3Å; H423-L426 WeakPolarHBondContact ND1-CG 3.37Å; H423-L426 PolarHBondContact ND1-N 2.94Å; H423-L426 PolarHBondContact O-N 3.13Å; H423-K427 WeakPolarHBondContact O-CA 3.28Å; H423-K427 PolarHBondContact O-N 3.15Å; H423-K428 PolarHBondContact N-O 2.78Å; H423-V430 HydrophobicContact CB-CG2 3.98Å; H423-I467 WeakPolarHBondContact NE2-CG2 3.4Å
424	E	82.9	Confident	91.2	Very high	111 Å²	111	58.4 Å²	58.4	52%	0.519	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-41.5	-175.1	-65.8	-60.4	159.2	0	0	113.1	K402 L426 K427	K402-E424 IonicContact NZ-OE1 3.36Å; K402-E424 PolarHBondContact NZ-OE1 2.73Å; E424-L426 VanDerWaalsContact C-N 3.34Å; E424-L426 PolarHBondContact O-N 3.45Å; E424-K427 WeakPolarHBondContact O-CG 3.48Å; E424-K427 PolarHBondContact O-N 2.99Å
425	G	79.8	Confident	91.4	Very high	68 Å²	68	52.9 Å²	52.9	70%	0.701	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.5	179.9	0	0	0	0	0	114.4	H423	H423-G425 PolarHBondContact ND1-N 3.22Å; H423-G425 PolarHBondContact O-N 2.79Å
426	L	80.8	Confident	91.5	Very high	99 Å²	99	50.1 Å²	50.1	52%	0.518	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-8	-178	-68.4	172.2	0	0	0	112.1	H423 E424 K428 V430	H423-L426 HydrophobicContact CB-CB 4.28Å; H423-L426 WeakPolarHBondContact ND1-CB 3.48Å; H423-L426 VanDerWaalsContact ND1-CG 3.3Å; H423-L426 WeakPolarHBondContact ND1-CG 3.37Å; H423-L426 PolarHBondContact ND1-N 2.94Å; H423-L426 PolarHBondContact O-N 3.13Å; E424-L426 VanDerWaalsContact C-N 3.34Å; E424-L426 PolarHBondContact O-N 3.45Å; L426-K428 HydrophobicContact CB-CD 4.41Å; L426-K428 HydrophobicContact CB-CG 3.96Å; L426-K428 PolarHBondContact O-N 3.23Å; L426-V430 HydrophobicContact CD1-CG2 4.43Å
427	K	88.8	Confident	91.5	Very high	166 Å²	166	50.3 Å²	50.3	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	39.4	-178.1	-58.6	-176.6	179.3	-179.3	0	113.6	Y422 H423 E424	Y422-K427 WeakPolarHBondContact OH-CA 3.49Å; Y422-K427 PolarHBondContact OH-O 2.79Å; H423-K427 WeakPolarHBondContact O-CA 3.28Å; H423-K427 PolarHBondContact O-N 3.15Å; E424-K427 WeakPolarHBondContact O-CG 3.48Å; E424-K427 PolarHBondContact O-N 2.99Å
428	K	92.3	Very high	91.6	Very high	117 Å²	117	50.3 Å²	50.3	51%	0.509	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.2	-179.7	70.1	-177.5	-178	176.1	0	111.8	H423 L426 V430	H423-K428 PolarHBondContact N-O 2.78Å; L426-K428 HydrophobicContact CB-CD 4.41Å; L426-K428 HydrophobicContact CB-CG 3.96Å; L426-K428 PolarHBondContact O-N 3.23Å; K428-V430 HydrophobicContact CG-CG2 3.94Å
429	W	91.9	Very high	91.7	Very high	84 Å²	84	50.6 Å²	50.6	32%	0.318	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	127.5	168.5	-68.6	91.2	0	0	0	109.4	K402 R404 F420 S421 Y422	K402-W429 HydrophobicContact CB-CH2 4.25Å; K402-W429 VanDerWaalsContact O-CZ3 3.25Å; K402-W429 WeakPolarHBondContact O-CZ3 3.49Å; R404-W429 HydrophobicContact CB-CE3 4.1Å; R404-W429 HydrophobicContact CB-CH2 4.3Å; R404-W429 HydrophobicContact CB-CZ3 3.81Å; R404-W429 VanDerWaalsContact CD-CZ2 3.49Å; R404-W429 HydrophobicContact CG-CE3 4.11Å; R404-W429 HydrophobicContact CG-CH2 3.51Å; R404-W429 HydrophobicContact CG-CZ2 4.02Å; R404-W429 HydrophobicContact CG-CZ3 3.55Å; R404-W429 VanDerWaalsContact CZ-CZ2 3.4Å; F420-W429 HydrophobicContact CB-CB 4.48Å; F420-W429 HydrophobicContact CB-CE3 3.98Å; F420-W429 HydrophobicContact CD1-CB 4.39Å; S421-W429 WeakPolarHBondContact O-CA 3.36Å; Y422-W429 AromaticContact CD2-CD1 3.91Å; Y422-W429 HydrophobicContact CD2-CD2 4.18Å; Y422-W429 AromaticContact CD2-CE2 3.85Å; Y422-W429 HydrophobicContact CD2-CG 4.2Å; Y422-W429 HydrophobicContact CD2-CZ2 4.35Å; Y422-W429 AromaticContact CD2-NE1 3.68Å
430	V	89.4	Confident	91.8	Very high	30 Å²	30	53.7 Å²	53.7	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.1	-180	-177.2	0	0	0	0	108.2	F420 S421 H423 L426 K428 V432	F420-V430 CarbonylContact C-O 3.57Å; F420-V430 WeakPolarHBondContact CA-O 3.42Å; S421-V430 PolarHBondContact N-O 2.82Å; S421-V430 PolarHBondContact O-N 2.89Å; H423-V430 HydrophobicContact CB-CG2 3.98Å; L426-V430 HydrophobicContact CD1-CG2 4.43Å; K428-V430 HydrophobicContact CG-CG2 3.94Å; V430-V432 PolarHBondContact O-N 2.86Å
431	E	91	Very high	92	Very high	66 Å²	66	52.4 Å²	52.4	31%	0.308	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.6	174.3	-172.1	-155.5	157.8	0	0	110.1	F420 R463	F420-E431 HydrophobicContact CD1-CB 4.18Å; F420-E431 HydrophobicContact CE1-CB 3.78Å; F420-E431 HydrophobicContact CE1-CG 4.48Å; F420-E431 HydrophobicContact CZ-CB 4.11Å; F420-E431 HydrophobicContact CZ-CG 4.34Å; E431-R463 PolarHBondContact O-NH1 2.78Å; E431-R463 IonicContact OE2-NH1 3.88Å
432	V	90.6	Very high	92.2	Very high	25 Å²	25	51.7 Å²	51.7	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-8.3	-178.2	-67	0	0	0	0	113.5	F395 V419 V430 L459	F395-V432 HydrophobicContact CD1-CG2 4.45Å; F395-V432 HydrophobicContact CE1-CB 3.83Å; F395-V432 HydrophobicContact CE1-CG2 3.69Å; F395-V432 HydrophobicContact CE2-CG2 4.11Å; F395-V432 HydrophobicContact CZ-CB 3.92Å; F395-V432 HydrophobicContact CZ-CG2 3.5Å; V419-V432 HydrophobicContact CB-CG2 4.06Å; V419-V432 HydrophobicContact CG1-CG2 3.83Å; V419-V432 VanDerWaalsContact O-CG2 3.3Å; V419-V432 WeakPolarHBondContact O-CG2 3.49Å; V419-V432 PolarHBondContact O-N 2.92Å; V430-V432 PolarHBondContact O-N 2.86Å; V432-L459 WeakPolarHBondContact O-CB 3.41Å
433	G	93.6	Very high	92.7	Very high	5 Å²	5	48.8 Å²	48.8	5%	0.052	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	171.6	174.9	0	0	0	0	0	113	V419 G458	V419-G433 PolarHBondContact N-O 2.83Å; V419-G433 PolarHBondContact O-N 3.41Å; G433-G458 WeakPolarHBondContact CA-O 3.47Å
434	N	96.4	Very high	93.3	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.219	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.3	175.8	-176.5	-58.6	0	0	0	108.9	N410 W457 G458	N410-N434 PolarHBondContact ND2-OD1 2.91Å; N410-N434 PolarHBondContact OD1-ND2 2.94Å; N410-N434 PolarHBondContact OD1-OD1 3.18Å; N434-W457 CarbonylContact O-C 3.53Å; N434-W457 VanDerWaalsContact O-CA 3.32Å; N434-W457 WeakPolarHBondContact O-CA 3.5Å; N434-G458 PolarHBondContact N-O 3.09Å; N434-G458 PolarHBondContact O-N 2.99Å
435	S	98.1	Very high	94.1	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	169.5	-176.2	66.4	0	0	0	0	112.8	L391 S416 M417 A456 W457	L391-S435 WeakPolarHBondContact CD1-OG 3.24Å; S416-S435 CarbonylContact C-O 3.55Å; S416-S435 WeakPolarHBondContact CA-O 3.34Å; M417-S435 WeakPolarHBondContact CG-OG 3.32Å; M417-S435 PolarHBondContact N-O 3.09Å; M417-S435 PolarHBondContact O-N 3.37Å; M417-S435 VanDerWaalsContact O-O 3.07Å; M417-S435 PolarHBondContact O-OG 3.45Å; S435-A456 CarbonylContact C-O 3.52Å; S435-A456 VanDerWaalsContact CA-O 3.25Å; S435-A456 WeakPolarHBondContact CA-O 3.42Å; S435-A456 VanDerWaalsContact CB-O 3.23Å; S435-A456 WeakPolarHBondContact CB-O 3.5Å; S435-W457 VanDerWaalsContact CB-CB 3.4Å
436	G	98	Very high	95	Very high	1 Å²	1	39 Å²	39	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-178.4	173	0	0	0	0	0	113.1	P415 A456	P415-G436 CarbonylContact O-C 3.54Å; P415-G436 VanDerWaalsContact O-CA 3.22Å; P415-G436 WeakPolarHBondContact O-CA 3.37Å; G436-A456 PolarHBondContact N-O 3.24Å; G436-A456 PolarHBondContact O-N 2.95Å
437	V	98.6	Very high	95.8	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.109	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.3	175.2	-171.2	0	0	0	0	107.9	L384 T413 E414 P415 R439 V454 I455	L384-V437 HydrophobicContact CD1-CG2 4.23Å; T413-V437 CarbonylContact C-O 3.56Å; T413-V437 WeakPolarHBondContact CA-O 3.31Å; T413-V437 VanDerWaalsContact CB-O 3.23Å; T413-V437 WeakPolarHBondContact CB-O 3.38Å; E414-V437 PolarHBondContact N-O 2.84Å; P415-V437 HydrophobicContact CG-CG2 3.98Å; P415-V437 PolarHBondContact O-N 3.06Å; V437-R439 PolarHBondContact O-N 3.45Å; V437-V454 CarbonylContact C-O 3.6Å; V437-V454 WeakPolarHBondContact CA-O 3.39Å; V437-I455 HydrophobicContact CG1-CG2 4.25Å; V437-I455 HydrophobicContact CG2-CG2 4.02Å
438	F	98.5	Very high	96.2	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	138.2	-177.5	-72.6	-41.1	0	0	0	111.3	T329 L336 V376 Y412 T413 M442 L443 V454 A456	T329-F438 HydrophobicContact CG2-CE1 3.91Å; T329-F438 HydrophobicContact CG2-CZ 3.87Å; L336-F438 HydrophobicContact CD1-CD2 3.8Å; L336-F438 HydrophobicContact CD1-CE2 3.75Å; V376-F438 HydrophobicContact CG1-CE2 4.14Å; V376-F438 HydrophobicContact CG2-CE2 4.4Å; Y412-F438 HydrophobicContact CD2-CD1 4.1Å; Y412-F438 AromaticContact CD2-CE1 3.81Å; Y412-F438 HydrophobicContact CD2-CE1 3.81Å; Y412-F438 HydrophobicContact CE2-CE1 4.31Å; Y412-F438 WeakPolarHBondContact O-CA 3.37Å; T413-F438 HydrophobicContact CG2-CD1 3.63Å; T413-F438 HydrophobicContact CG2-CE1 4.1Å; F438-M442 HydrophobicContact CB-SD 4.02Å; F438-M442 HydrophobicContact CD1-CE 4.01Å; F438-M442 HydrophobicContact CD1-SD 3.65Å; F438-M442 HydrophobicContact CD2-CE 3.88Å; F438-M442 HydrophobicContact CD2-SD 4.36Å; F438-M442 HydrophobicContact CE1-CE 4.13Å; F438-M442 HydrophobicContact CE1-SD 4.2Å; F438-M442 HydrophobicContact CE2-CE 4.02Å; F438-M442 HydrophobicContact CG-CE 3.91Å; F438-M442 HydrophobicContact CG-SD 3.77Å; F438-M442 HydrophobicContact CZ-CE 4.15Å; F438-L443 HydrophobicContact CB-CD1 4.01Å; F438-L443 HydrophobicContact CB-CD2 3.95Å; F438-L443 HydrophobicContact CB-CG 4.03Å; F438-L443 HydrophobicContact CD2-CD2 4.31Å; F438-V454 HydrophobicContact CB-CB 4.36Å; F438-V454 HydrophobicContact CD2-CB 3.84Å; F438-V454 HydrophobicContact CD2-CG1 3.49Å; F438-V454 VanDerWaalsContact CD2-CG1 3.49Å; F438-V454 HydrophobicContact CE2-CG1 3.94Å; F438-V454 PolarHBondContact N-O 2.78Å; F438-A456 HydrophobicContact CD2-CB 4.42Å; F438-A456 HydrophobicContact CE1-CB 3.99Å; F438-A456 HydrophobicContact CE2-CB 3.68Å; F438-A456 HydrophobicContact CZ-CB 3.42Å; F438-A456 VanDerWaalsContact CZ-CB 3.42Å
439	R	98.3	Very high	96.4	Very high	45 Å²	45	25.6 Å²	25.6	17%	0.17	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-64.5	143.4	-177	-76.9	-170.4	77.7	92.6	13.3	112.3	P411 Y412 E414 V437 E441 M442 L443	P411-R439 WeakPolarHBondContact O-CD 3.27Å; Y412-R439 PolarHBondContact O-N 3.18Å; E414-R439 HydrophobicContact CB-CG 4.09Å; E414-R439 IonicContact OE2-CZ 3.55Å; E414-R439 IonicContact OE2-NH1 2.93Å; E414-R439 PolarHBondContact OE2-NH1 3.19Å; E414-R439 IonicContact OE2-NH2 3.57Å; E414-R439 PolarHBondContact OE2-NH2 2.79Å; E414-R439 VanDerWaalsContact OE2-NH2 3.13Å; V437-R439 PolarHBondContact O-N 3.45Å; R439-E441 WeakPolarHBondContact CB-OE2 3.46Å; R439-E441 IonicContact CZ-OE1 3.46Å; R439-E441 IonicContact CZ-OE2 3.77Å; R439-E441 IonicContact NE-OE1 3.23Å; R439-E441 IonicContact NE-OE2 3.52Å; R439-E441 PolarHBondContact NE-OE2 3.43Å; R439-E441 IonicContact NH2-OE1 2.69Å; R439-E441 PolarHBondContact NH2-OE1 3.21Å; R439-E441 IonicContact NH2-OE2 3.65Å; R439-E441 PolarHBondContact NH2-OE2 3.45Å; R439-E441 PolarHBondContact O-N 2.93Å; R439-M442 HydrophobicContact CB-CB 4.5Å; R439-M442 WeakPolarHBondContact O-CB 3.37Å; R439-M442 PolarHBondContact O-N 3.4Å; R439-L443 PolarHBondContact O-N 2.83Å; R439-L443 VanDerWaalsContact O-N 3.15Å
440	P	98	Very high	96.6	Very high	66 Å²	66	29.8 Å²	29.8	43%	0.429	17%	0.168	S	C	.	.	H	α-helix	trans	-57.1	-33.6	172.1	-24.3	34.1	0	0	0	113	M442 L443 L444	P440-M442 PolarHBondContact O-N 3.35Å; P440-L443 PolarHBondContact O-N 3.42Å; P440-L444 HydrophobicContact CB-CD1 3.65Å; P440-L444 HydrophobicContact CB-CG 4.16Å; P440-L444 VanDerWaalsContact O-CB 3.26Å; P440-L444 WeakPolarHBondContact O-CB 3.46Å; P440-L444 VanDerWaalsContact O-CG 3.29Å; P440-L444 WeakPolarHBondContact O-CG 3.12Å; P440-L444 PolarHBondContact O-N 3.22Å
441	E	98.3	Very high	96.8	Very high	15 Å²	15	33.1 Å²	33.1	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-66.6	-19.5	177.1	-57.8	96.4	145.5	0	0	113.8	F263 V299 S307 R439 P445	F263-E441 HydrophobicContact CB-CB 4.37Å; F263-E441 HydrophobicContact CD1-CB 3.57Å; F263-E441 HydrophobicContact CD1-CG 4.27Å; F263-E441 HydrophobicContact CD2-CB 3.62Å; F263-E441 HydrophobicContact CE1-CB 3.57Å; F263-E441 HydrophobicContact CE1-CG 3.78Å; F263-E441 HydrophobicContact CE2-CB 3.66Å; F263-E441 HydrophobicContact CE2-CG 4.19Å; F263-E441 HydrophobicContact CG-CB 3.58Å; F263-E441 HydrophobicContact CZ-CB 3.61Å; F263-E441 HydrophobicContact CZ-CG 3.74Å; V299-E441 HydrophobicContact CG1-CB 3.79Å; V299-E441 HydrophobicContact CG1-CG 4.17Å; S307-E441 WeakPolarHBondContact CB-OE1 3.46Å; S307-E441 WeakPolarHBondContact OG-CG 3.29Å; S307-E441 PolarHBondContact OG-OE1 2.97Å; R439-E441 WeakPolarHBondContact CB-OE2 3.46Å; R439-E441 IonicContact CZ-OE1 3.46Å; R439-E441 IonicContact CZ-OE2 3.77Å; R439-E441 IonicContact NE-OE1 3.23Å; R439-E441 IonicContact NE-OE2 3.52Å; R439-E441 PolarHBondContact NE-OE2 3.43Å; R439-E441 IonicContact NH2-OE1 2.69Å; R439-E441 PolarHBondContact NH2-OE1 3.21Å; R439-E441 IonicContact NH2-OE2 3.65Å; R439-E441 PolarHBondContact NH2-OE2 3.45Å; R439-E441 PolarHBondContact O-N 2.93Å; E441-P445 VanDerWaalsContact O-CD 3.32Å; E441-P445 WeakPolarHBondContact O-CD 3.36Å; E441-P445 WeakPolarHBondContact O-CG 3.31Å
442	M	98.1	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-84.2	-47.2	169.4	169	-178.3	166.2	0	0	110.6	L262 F263 L336 F438 R439 P440 M446	L262-M442 HydrophobicContact CB-SD 4.43Å; L262-M442 HydrophobicContact CD2-CE 3.43Å; L262-M442 VanDerWaalsContact CD2-CE 3.43Å; L262-M442 HydrophobicContact CD2-SD 3.87Å; F263-M442 HydrophobicContact CB-CB 4.11Å; L336-M442 HydrophobicContact CD1-CE 4.13Å; F438-M442 HydrophobicContact CB-SD 4.02Å; F438-M442 HydrophobicContact CD1-CE 4.01Å; F438-M442 HydrophobicContact CD1-SD 3.65Å; F438-M442 HydrophobicContact CD2-CE 3.88Å; F438-M442 HydrophobicContact CD2-SD 4.36Å; F438-M442 HydrophobicContact CE1-CE 4.13Å; F438-M442 HydrophobicContact CE1-SD 4.2Å; F438-M442 HydrophobicContact CE2-CE 4.02Å; F438-M442 HydrophobicContact CG-CE 3.91Å; F438-M442 HydrophobicContact CG-SD 3.77Å; F438-M442 HydrophobicContact CZ-CE 4.15Å; R439-M442 HydrophobicContact CB-CB 4.5Å; R439-M442 WeakPolarHBondContact O-CB 3.37Å; R439-M442 PolarHBondContact O-N 3.4Å; P440-M442 PolarHBondContact O-N 3.35Å; M442-M446 HydrophobicContact CE-CE 3.93Å; M442-M446 HydrophobicContact CG-CE 3.79Å; M442-M446 WeakPolarHBondContact O-CE 3.32Å; M442-M446 WeakPolarHBondContact O-CG 3.39Å
443	L	98.4	Very high	97.5	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-80.9	-44.5	-168.4	-60.1	176.4	0	0	0	114	L336 F438 R439 P440 M446 L448 V454	L336-L443 HydrophobicContact CD1-CD2 4.03Å; F438-L443 HydrophobicContact CB-CD1 4.01Å; F438-L443 HydrophobicContact CB-CD2 3.95Å; F438-L443 HydrophobicContact CB-CG 4.03Å; F438-L443 HydrophobicContact CD2-CD2 4.31Å; R439-L443 PolarHBondContact O-N 2.83Å; R439-L443 VanDerWaalsContact O-N 3.15Å; P440-L443 PolarHBondContact O-N 3.42Å; L443-M446 VanDerWaalsContact O-CB 3.24Å; L443-M446 WeakPolarHBondContact O-CB 3.42Å; L443-M446 PolarHBondContact O-N 3Å; L443-M446 VanDerWaalsContact O-N 3.08Å; L443-L448 HydrophobicContact CB-CD1 4.02Å; L443-L448 HydrophobicContact CD2-CD1 3.79Å; L443-L448 HydrophobicContact CG-CD1 4.38Å; L443-V454 HydrophobicContact CD1-CB 3.99Å; L443-V454 HydrophobicContact CD1-CG2 3.75Å; L443-V454 HydrophobicContact CD2-CB 4.2Å; L443-V454 HydrophobicContact CD2-CG2 3.84Å; L443-V454 HydrophobicContact CG-CG2 4.45Å
444	L	98.4	Very high	97.8	Very high	24 Å²	24	30.1 Å²	30.1	13%	0.126	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-65.7	-39.5	-174.5	-61.3	175.7	0	0	0	114	Y305 P440 M446 G447 E450	Y305-L444 HydrophobicContact CD1-CB 3.58Å; Y305-L444 HydrophobicContact CD1-CD1 4.03Å; Y305-L444 HydrophobicContact CD1-CG 4.39Å; Y305-L444 HydrophobicContact CD2-CB 4.09Å; Y305-L444 HydrophobicContact CE1-CB 3.91Å; Y305-L444 HydrophobicContact CE2-CB 4.4Å; Y305-L444 HydrophobicContact CG-CB 3.67Å; Y305-L444 HydrophobicContact CG-CD1 4.01Å; Y305-L444 HydrophobicContact CG-CG 4.49Å; P440-L444 HydrophobicContact CB-CD1 3.65Å; P440-L444 HydrophobicContact CB-CG 4.16Å; P440-L444 VanDerWaalsContact O-CB 3.26Å; P440-L444 WeakPolarHBondContact O-CB 3.46Å; P440-L444 VanDerWaalsContact O-CG 3.29Å; P440-L444 WeakPolarHBondContact O-CG 3.12Å; P440-L444 PolarHBondContact O-N 3.22Å; L444-M446 PolarHBondContact O-N 3.16Å; L444-G447 PolarHBondContact O-N 3.44Å; L444-E450 HydrophobicContact CD2-CB 4.46Å; L444-E450 HydrophobicContact CD2-CG 3.94Å
445	P	98.4	Very high	97.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-65.5	-21.8	172.1	24.7	-33.1	0	0	0	113.1	Y292 R295 V296 V299 Y305 E441 G447	Y292-P445 HydrophobicContact CD2-CB 4.46Å; Y292-P445 WeakPolarHBondContact CD2-O 3.26Å; Y292-P445 HydrophobicContact CE2-CB 4.1Å; Y292-P445 HydrophobicContact CE2-CG 4.41Å; R295-P445 HydrophobicContact CB-CB 3.88Å; R295-P445 VanDerWaalsContact CZ-O 3.31Å; R295-P445 PolarHBondContact NE-O 3.37Å; R295-P445 PolarHBondContact NH2-O 2.9Å; V296-P445 HydrophobicContact CG2-CB 4.43Å; V299-P445 HydrophobicContact CG2-CB 4.45Å; Y305-P445 HydrophobicContact CE2-CB 4.03Å; Y305-P445 HydrophobicContact CE2-CG 4.48Å; E441-P445 VanDerWaalsContact O-CD 3.32Å; E441-P445 WeakPolarHBondContact O-CD 3.36Å; E441-P445 WeakPolarHBondContact O-CG 3.31Å; P445-G447 PolarHBondContact O-N 3.19Å
446	M	98.4	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-66.9	-25.5	172.1	-59.6	176.9	-178.3	0	0	111.9	S261 Y292 A333 L336 Y337 A340 Q341 M442 L443 L444	S261-M446 WeakPolarHBondContact O-CE 3.43Å; Y292-M446 HydrophobicContact CE2-CB 4.24Å; Y292-M446 HydrophobicContact CE2-CG 3.66Å; Y292-M446 WeakPolarHBondContact OH-CE 3.28Å; Y292-M446 WeakPolarHBondContact OH-CG 3.33Å; A333-M446 HydrophobicContact CB-CE 4.17Å; L336-M446 HydrophobicContact CB-SD 3.89Å; Y337-M446 HydrophobicContact CD2-CB 4.06Å; Y337-M446 HydrophobicContact CD2-CG 4.31Å; A340-M446 HydrophobicContact CB-CB 4.16Å; A340-M446 WeakPolarHBondContact CB-O 3.49Å; Q341-M446 PolarHBondContact NE2-O 3.17Å; M442-M446 HydrophobicContact CE-CE 3.93Å; M442-M446 HydrophobicContact CG-CE 3.79Å; M442-M446 WeakPolarHBondContact O-CE 3.32Å; M442-M446 WeakPolarHBondContact O-CG 3.39Å; L443-M446 VanDerWaalsContact O-CB 3.24Å; L443-M446 WeakPolarHBondContact O-CB 3.42Å; L443-M446 PolarHBondContact O-N 3Å; L443-M446 VanDerWaalsContact O-N 3.08Å; L444-M446 PolarHBondContact O-N 3.16Å
447	G	97.5	Very high	97.9	Very high	44 Å²	44	28.6 Å²	28.6	45%	0.454	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	13.4	-175.9	0	0	0	0	0	114.1	L444 P445	L444-G447 PolarHBondContact O-N 3.44Å; P445-G447 PolarHBondContact O-N 3.19Å
448	L	97.7	Very high	97.8	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.042	17%	0.165	C	C	.	.			trans	-66.7	145.1	173.1	-73.4	171	0	0	0	110.6	L339 A340 F345 L443 V454	L339-L448 HydrophobicContact CD2-CD2 4.37Å; L339-L448 HydrophobicContact CG-CD2 4.49Å; A340-L448 HydrophobicContact CB-CD2 3.84Å; A340-L448 HydrophobicContact CB-CG 3.83Å; F345-L448 HydrophobicContact CD2-CD2 3.82Å; F345-L448 HydrophobicContact CE2-CD2 3.9Å; L443-L448 HydrophobicContact CB-CD1 4.02Å; L443-L448 HydrophobicContact CD2-CD1 3.79Å; L443-L448 HydrophobicContact CG-CD1 4.38Å; L448-V454 HydrophobicContact CD1-CG2 4.35Å
449	P	96.9	Very high	97.6	Very high	48 Å²	48	28.6 Å²	28.6	31%	0.312	17%	0.166	S	C	.	.			trans	-59	149.4	174.8	-22.6	33.2	0	0	0	112.8	F345 D451 V452	F345-P449 HydrophobicContact CB-CG 3.99Å; F345-P449 HydrophobicContact CG-CG 4.44Å; P449-D451 VanDerWaalsContact C-N 3.27Å; P449-D451 WeakPolarHBondContact CB-OD1 3.39Å; P449-D451 PolarHBondContact O-N 3.18Å; P449-V452 HydrophobicContact CB-CB 4.45Å; P449-V452 HydrophobicContact CB-CG2 3.94Å; P449-V452 HydrophobicContact CG-CG2 3.97Å; P449-V452 WeakPolarHBondContact O-CB 3.49Å; P449-V452 PolarHBondContact O-N 3.28Å; P449-V452 VanDerWaalsContact O-N 3.11Å
450	E	95.6	Very high	97.4	Very high	172 Å²	172	28 Å²	28	80%	0.804	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-25.7	-177.5	-68.3	-176.9	179.3	0	0	114.3	L444 V452	L444-E450 HydrophobicContact CD2-CB 4.46Å; L444-E450 HydrophobicContact CD2-CG 3.94Å; E450-V452 VanDerWaalsContact C-N 3.32Å
451	D	95.1	Very high	97.2	Very high	100 Å²	100	24.9 Å²	24.9	54%	0.535	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.7	177	61.7	-24	0	0	0	113.3	Y380 G381 P449	Y380-D451 WeakPolarHBondContact CA-O 3.38Å; Y380-D451 HydrophobicContact CD1-CB 4.34Å; Y380-D451 VanDerWaalsContact CD1-OD2 3.32Å; Y380-D451 WeakPolarHBondContact CD1-OD2 3.38Å; Y380-D451 WeakPolarHBondContact CE1-OD2 3.38Å; G381-D451 PolarHBondContact N-O 2.91Å; P449-D451 VanDerWaalsContact C-N 3.27Å; P449-D451 WeakPolarHBondContact CB-OD1 3.39Å; P449-D451 PolarHBondContact O-N 3.18Å
452	V	97.8	Very high	96.9	Very high	11 Å²	11	24.1 Å²	24.1	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.2	172.7	172	0	0	0	0	110	F345 Y380 P449 E450 V454	F345-V452 HydrophobicContact CD1-CG2 3.59Å; F345-V452 HydrophobicContact CD2-CG1 4.28Å; F345-V452 HydrophobicContact CD2-CG2 4Å; F345-V452 HydrophobicContact CE1-CB 4.47Å; F345-V452 HydrophobicContact CE1-CG1 4.11Å; F345-V452 HydrophobicContact CE1-CG2 3.49Å; F345-V452 VanDerWaalsContact CE1-CG2 3.49Å; F345-V452 HydrophobicContact CE2-CB 4.35Å; F345-V452 HydrophobicContact CE2-CG1 3.53Å; F345-V452 HydrophobicContact CE2-CG2 3.92Å; F345-V452 HydrophobicContact CG-CG2 3.83Å; F345-V452 HydrophobicContact CZ-CB 4.21Å; F345-V452 HydrophobicContact CZ-CG1 3.42Å; F345-V452 VanDerWaalsContact CZ-CG1 3.42Å; F345-V452 HydrophobicContact CZ-CG2 3.66Å; Y380-V452 HydrophobicContact CD1-CG2 3.77Å; Y380-V452 HydrophobicContact CE1-CG2 3.61Å; Y380-V452 HydrophobicContact CG-CG2 4.49Å; P449-V452 HydrophobicContact CB-CB 4.45Å; P449-V452 HydrophobicContact CB-CG2 3.94Å; P449-V452 HydrophobicContact CG-CG2 3.97Å; P449-V452 WeakPolarHBondContact O-CB 3.49Å; P449-V452 PolarHBondContact O-N 3.28Å; P449-V452 VanDerWaalsContact O-N 3.11Å; E450-V452 VanDerWaalsContact C-N 3.32Å; V452-V454 HydrophobicContact CG1-CG2 4.48Å
453	S	97.9	Very high	96.3	Very high	21 Å²	21	29.3 Å²	29.3	15%	0.147	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.5	177.8	54	0	0	0	0	109.2	D379 L382	D379-S453 PolarHBondContact N-O 2.8Å; D379-S453 VanDerWaalsContact N-O 3.08Å; D379-S453 PolarHBondContact O-N 2.76Å; D379-S453 PolarHBondContact O-OG 3.14Å; D379-S453 VanDerWaalsContact O-OG 3.13Å; L382-S453 WeakPolarHBondContact CA-OG 3.05Å; L382-S453 VanDerWaalsContact CB-OG 3.23Å; L382-S453 WeakPolarHBondContact CB-OG 3.43Å; L382-S453 WeakPolarHBondContact CD1-O 3.33Å; L382-S453 PolarHBondContact N-OG 2.77Å
454	V	98.7	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.4	-176.4	-172.1	0	0	0	0	109.6	L336 V376 V377 A378 V437 F438 L443 L448 V452	L336-V454 HydrophobicContact CD1-CG1 4.07Å; L336-V454 HydrophobicContact CD2-CG1 4.06Å; L336-V454 HydrophobicContact CD2-CG2 4.1Å; V376-V454 HydrophobicContact CG1-CG1 3.37Å; V377-V454 CarbonylContact O-C 3.59Å; V377-V454 VanDerWaalsContact O-CA 3.28Å; V377-V454 WeakPolarHBondContact O-CA 3.34Å; V377-V454 WeakPolarHBondContact O-CG1 3.21Å; A378-V454 HydrophobicContact CB-CB 4.43Å; A378-V454 HydrophobicContact CB-CG1 4.16Å; A378-V454 HydrophobicContact CB-CG2 3.66Å; V437-V454 CarbonylContact C-O 3.6Å; V437-V454 WeakPolarHBondContact CA-O 3.39Å; F438-V454 HydrophobicContact CB-CB 4.36Å; F438-V454 HydrophobicContact CD2-CB 3.84Å; F438-V454 HydrophobicContact CD2-CG1 3.49Å; F438-V454 VanDerWaalsContact CD2-CG1 3.49Å; F438-V454 HydrophobicContact CE2-CG1 3.94Å; F438-V454 PolarHBondContact N-O 2.78Å; L443-V454 HydrophobicContact CD1-CB 3.99Å; L443-V454 HydrophobicContact CD1-CG2 3.75Å; L443-V454 HydrophobicContact CD2-CB 4.2Å; L443-V454 HydrophobicContact CD2-CG2 3.84Å; L443-V454 HydrophobicContact CG-CG2 4.45Å; L448-V454 HydrophobicContact CD1-CG2 4.35Å; V452-V454 HydrophobicContact CG1-CG2 4.48Å
455	I	98.8	Very high	95.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.9	175.2	64.8	-176	0	0	0	109	V376 V377 L382 D386 L387 V437	V376-I455 CarbonylContact C-O 3.57Å; V376-I455 WeakPolarHBondContact CA-O 3.28Å; V377-I455 HydrophobicContact CB-CD1 4.1Å; V377-I455 HydrophobicContact CB-CG1 3.73Å; V377-I455 HydrophobicContact CG2-CG1 4.34Å; V377-I455 PolarHBondContact N-O 3.46Å; V377-I455 PolarHBondContact O-N 2.84Å; L382-I455 HydrophobicContact CB-CG2 3.96Å; L382-I455 HydrophobicContact CD1-CD1 4.05Å; L382-I455 HydrophobicContact CD1-CG1 3.93Å; L382-I455 HydrophobicContact CD1-CG2 4.25Å; D386-I455 HydrophobicContact CB-CD1 4.25Å; L387-I455 HydrophobicContact CB-CB 4.1Å; L387-I455 HydrophobicContact CB-CD1 4.12Å; L387-I455 HydrophobicContact CB-CG2 4.21Å; L387-I455 HydrophobicContact CD1-CB 4.03Å; L387-I455 HydrophobicContact CD1-CG1 4.41Å; L387-I455 HydrophobicContact CG-CB 4.48Å; V437-I455 HydrophobicContact CG1-CG2 4.25Å; V437-I455 HydrophobicContact CG2-CG2 4.02Å
456	A	98.4	Very high	94.9	Very high	6 Å²	6	30.8 Å²	30.8	5%	0.05	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155	-177.9	0	0	0	0	0	111.9	G375 V376 S435 G436 F438	G375-A456 CarbonylContact O-C 3.56Å; G375-A456 WeakPolarHBondContact O-CA 3.45Å; V376-A456 HydrophobicContact CG2-CB 3.95Å; S435-A456 CarbonylContact C-O 3.52Å; S435-A456 VanDerWaalsContact CA-O 3.25Å; S435-A456 WeakPolarHBondContact CA-O 3.42Å; S435-A456 VanDerWaalsContact CB-O 3.23Å; S435-A456 WeakPolarHBondContact CB-O 3.5Å; G436-A456 PolarHBondContact N-O 3.24Å; G436-A456 PolarHBondContact O-N 2.95Å; F438-A456 HydrophobicContact CD2-CB 4.42Å; F438-A456 HydrophobicContact CE1-CB 3.99Å; F438-A456 HydrophobicContact CE2-CB 3.68Å; F438-A456 HydrophobicContact CZ-CB 3.42Å; F438-A456 VanDerWaalsContact CZ-CB 3.42Å
457	W	98.3	Very high	94.2	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.1	172.6	74.1	100.6	0	0	0	111.5	F238 F243 E374 G375 V377 L387 V390 L391 F394 N434 S435	F238-W457 HydrophobicContact CD1-CZ2 4.45Å; F238-W457 HydrophobicContact CE1-CH2 4.13Å; F238-W457 AromaticContact CE1-CZ2 3.49Å; F238-W457 HydrophobicContact CE1-CZ2 3.49Å; F238-W457 VanDerWaalsContact CE1-CZ2 3.49Å; F238-W457 HydrophobicContact CZ-CZ2 4.12Å; F243-W457 HydrophobicContact CD1-CH2 4.45Å; F243-W457 AromaticContact CE1-CH2 3.46Å; F243-W457 HydrophobicContact CE1-CH2 3.46Å; F243-W457 VanDerWaalsContact CE1-CH2 3.46Å; F243-W457 HydrophobicContact CE1-CZ2 4.46Å; F243-W457 AromaticContact CE1-CZ3 3.93Å; F243-W457 HydrophobicContact CE1-CZ3 3.93Å; F243-W457 HydrophobicContact CE2-CH2 4.21Å; F243-W457 AromaticContact CZ-CH2 3.35Å; F243-W457 HydrophobicContact CZ-CH2 3.35Å; F243-W457 HydrophobicContact CZ-CZ2 4.41Å; F243-W457 AromaticContact CZ-CZ3 3.96Å; F243-W457 HydrophobicContact CZ-CZ3 3.96Å; E374-W457 CarbonylContact C-O 3.56Å; E374-W457 VanDerWaalsContact CA-O 3.32Å; E374-W457 WeakPolarHBondContact CA-O 3.36Å; E374-W457 WeakPolarHBondContact CG-O 3.47Å; G375-W457 PolarHBondContact N-O 2.98Å; G375-W457 VanDerWaalsContact O-CE3 3.3Å; G375-W457 PolarHBondContact O-N 3.36Å; V377-W457 HydrophobicContact CG2-CZ3 4.23Å; L387-W457 HydrophobicContact CD1-CE3 4.39Å; V390-W457 HydrophobicContact CG1-CE3 4.43Å; V390-W457 HydrophobicContact CG1-CH2 3.39Å; V390-W457 HydrophobicContact CG1-CZ2 4.11Å; V390-W457 HydrophobicContact CG1-CZ3 3.6Å; L391-W457 HydrophobicContact CD2-CB 3.69Å; L391-W457 HydrophobicContact CD2-CD2 3.97Å; L391-W457 HydrophobicContact CD2-CG 3.44Å; L391-W457 VanDerWaalsContact CD2-CG 3.44Å; L391-W457 HydrophobicContact CG-CG 4.5Å; F394-W457 AromaticContact CD1-NE1 3.96Å; F394-W457 HydrophobicContact CD2-CZ2 4.05Å; F394-W457 AromaticContact CE1-NE1 3.97Å; F394-W457 HydrophobicContact CE2-CZ2 4.49Å; F394-W457 HydrophobicContact CG-CZ2 4.31Å; N434-W457 CarbonylContact O-C 3.53Å; N434-W457 VanDerWaalsContact O-CA 3.32Å; N434-W457 WeakPolarHBondContact O-CA 3.5Å; S435-W457 VanDerWaalsContact CB-CB 3.4Å
458	G	96.4	Very high	93.6	Very high	15 Å²	15	35.3 Å²	35.3	16%	0.155	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.7	175.5	0	0	0	0	0	113.8	I373 G433 N434	I373-G458 CarbonylContact O-C 3.55Å; I373-G458 WeakPolarHBondContact O-CA 3.34Å; G433-G458 WeakPolarHBondContact CA-O 3.47Å; N434-G458 PolarHBondContact N-O 3.09Å; N434-G458 PolarHBondContact O-N 2.99Å
459	L	95.1	Very high	93.1	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	159.7	173.9	60	131.9	0	0	0	110.7	F234 I373 F394 F395 V432 P464	F234-L459 HydrophobicContact CE1-CD1 3.86Å; F234-L459 HydrophobicContact CZ-CD1 3.91Å; I373-L459 HydrophobicContact CB-CG 4.27Å; I373-L459 HydrophobicContact CD1-CD1 3.96Å; I373-L459 HydrophobicContact CD1-CG 4.19Å; I373-L459 PolarHBondContact N-O 3.5Å; I373-L459 PolarHBondContact O-N 3.3Å; F394-L459 HydrophobicContact CE1-CD2 3.73Å; F394-L459 HydrophobicContact CZ-CD2 4.13Å; F395-L459 HydrophobicContact CZ-CD2 4.47Å; V432-L459 WeakPolarHBondContact O-CB 3.41Å; L459-P464 HydrophobicContact CD1-CG 3.79Å
460	S	92.7	Very high	92.6	Very high	32 Å²	32	37.6 Å²	37.6	22%	0.224	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.2	169.9	158.5	0	0	0	0	110.5	H371 E462 R463 P464	H371-S460 WeakPolarHBondContact O-CA 3.48Å; S460-E462 PolarHBondContact OG-N 3Å; S460-E462 VanDerWaalsContact OG-N 3.11Å; S460-E462 PolarHBondContact OG-OE2 3.35Å; S460-R463 PolarHBondContact OG-N 2.87Å; S460-P464 WeakPolarHBondContact O-CD 3.24Å; S460-P464 WeakPolarHBondContact O-CG 3.47Å
461	L	94.1	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-76.2	-32.9	172.7	-179.7	66.3	0	0	0	112.2	L227 V230 R231 F234 I353 H371 I373 T465	L227-L461 HydrophobicContact CD1-CB 4.38Å; L227-L461 HydrophobicContact CD1-CD2 3.83Å; L227-L461 HydrophobicContact CD1-CG 3.7Å; L227-L461 HydrophobicContact CD2-CD2 4.38Å; L227-L461 HydrophobicContact CG-CD2 3.74Å; L227-L461 HydrophobicContact CG-CG 4.19Å; V230-L461 HydrophobicContact CB-CD1 4.25Å; V230-L461 HydrophobicContact CG1-CD1 3.82Å; R231-L461 HydrophobicContact CB-CD1 4.41Å; R231-L461 HydrophobicContact CB-CD2 3.79Å; R231-L461 HydrophobicContact CG-CD2 4.18Å; F234-L461 HydrophobicContact CD2-CD1 3.6Å; F234-L461 HydrophobicContact CE2-CD1 3.93Å; F234-L461 HydrophobicContact CG-CD1 4.46Å; I353-L461 HydrophobicContact CG2-CD2 4.39Å; H371-L461 HydrophobicContact CB-CB 3.85Å; H371-L461 HydrophobicContact CB-CD2 3.95Å; H371-L461 PolarHBondContact O-N 2.81Å; I373-L461 HydrophobicContact CD1-CB 4.01Å; I373-L461 HydrophobicContact CD1-CD1 3.83Å; I373-L461 HydrophobicContact CG1-CB 4.28Å; L461-T465 WeakPolarHBondContact O-CB 3.36Å; L461-T465 PolarHBondContact O-N 3.49Å; L461-T465 PolarHBondContact O-OG1 3.17Å
462	E	92.4	Very high	91.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-46.1	-175.5	-69.6	74	-163.6	0	0	111.6	L227 H371 S460 T465 M466 I474 V478	L227-E462 HydrophobicContact CD1-CB 4.48Å; L227-E462 HydrophobicContact CD1-CG 3.96Å; L227-E462 HydrophobicContact CD2-CG 4.5Å; H371-E462 IonicContact CE1-OE1 2.74Å; H371-E462 IonicContact CG-OE1 2.7Å; H371-E462 VanDerWaalsContact N-CD 3.33Å; H371-E462 PolarHBondContact N-OE1 3.12Å; H371-E462 PolarHBondContact N-OE2 2.74Å; H371-E462 VanDerWaalsContact N-OE2 3.15Å; H371-E462 IonicContact ND1-OE1 3.56Å; H371-E462 PolarHBondContact ND1-OE1 2.97Å; S460-E462 PolarHBondContact OG-N 3Å; S460-E462 VanDerWaalsContact OG-N 3.11Å; S460-E462 PolarHBondContact OG-OE2 3.35Å; E462-T465 CarbonylContact O-C 3.57Å; E462-T465 WeakPolarHBondContact O-CA 3.38Å; E462-T465 WeakPolarHBondContact O-CB 3.42Å; E462-T465 PolarHBondContact O-N 3.45Å; E462-T465 VanDerWaalsContact O-N 3.08Å; E462-M466 WeakPolarHBondContact O-CB 3.43Å; E462-M466 WeakPolarHBondContact O-CG 3.5Å; E462-M466 PolarHBondContact O-N 3.2Å; E462-I474 HydrophobicContact CB-CD1 3.63Å; E462-I474 HydrophobicContact CB-CG1 4.02Å; E462-I474 HydrophobicContact CG-CD1 3.88Å; E462-I474 HydrophobicContact CG-CG1 4.14Å; E462-V478 HydrophobicContact CG-CG2 4.03Å
463	R	86.3	Confident	91.4	Very high	109 Å²	109	33.4 Å²	33.4	41%	0.411	19%	0.186	S	C	.	.	H	α-helix	trans	-60.2	-49.8	-176.5	-178.7	-177.4	-62.9	174.2	2.3	113	E431 S460 T465 M466 I467	E431-R463 PolarHBondContact O-NH1 2.78Å; E431-R463 IonicContact OE2-NH1 3.88Å; S460-R463 PolarHBondContact OG-N 2.87Å; R463-T465 VanDerWaalsContact C-N 3.29Å; R463-T465 PolarHBondContact O-N 2.66Å; R463-M466 PolarHBondContact O-N 2.99Å; R463-I467 HydrophobicContact CG-CD1 4.3Å; R463-I467 WeakPolarHBondContact O-CG1 3.28Å; R463-I467 PolarHBondContact O-N 3.49Å; R463-I467 VanDerWaalsContact O-N 3.09Å
464	P	86.4	Confident	90.9	Very high	38 Å²	38	32.8 Å²	32.8	25%	0.247	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-37.7	171.4	-25.4	33.7	0	0	0	113.5	F234 L459 S460 I467 K468	F234-P464 HydrophobicContact CE2-CB 4.2Å; F234-P464 HydrophobicContact CE2-CG 4.49Å; F234-P464 HydrophobicContact CZ-CB 4.07Å; F234-P464 HydrophobicContact CZ-CG 4.06Å; L459-P464 HydrophobicContact CD1-CG 3.79Å; S460-P464 WeakPolarHBondContact O-CD 3.24Å; S460-P464 WeakPolarHBondContact O-CG 3.47Å; P464-I467 PolarHBondContact O-N 2.77Å; P464-K468 WeakPolarHBondContact O-CB 3.29Å; P464-K468 PolarHBondContact O-N 3.11Å
465	T	89.9	Confident	90.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-44.1	179.7	-58.5	0	0	0	0	111.2	L227 V230 L461 E462 R463 K468 Y469 L477	L227-T465 HydrophobicContact CD1-CG2 4.13Å; V230-T465 WeakPolarHBondContact CB-OG1 3.43Å; V230-T465 WeakPolarHBondContact CG1-OG1 3.13Å; V230-T465 HydrophobicContact CG2-CG2 3.82Å; V230-T465 WeakPolarHBondContact CG2-OG1 3.38Å; L461-T465 WeakPolarHBondContact O-CB 3.36Å; L461-T465 PolarHBondContact O-N 3.49Å; L461-T465 PolarHBondContact O-OG1 3.17Å; E462-T465 CarbonylContact O-C 3.57Å; E462-T465 WeakPolarHBondContact O-CA 3.38Å; E462-T465 WeakPolarHBondContact O-CB 3.42Å; E462-T465 PolarHBondContact O-N 3.45Å; E462-T465 VanDerWaalsContact O-N 3.08Å; R463-T465 VanDerWaalsContact C-N 3.29Å; R463-T465 PolarHBondContact O-N 2.66Å; T465-K468 PolarHBondContact O-N 2.96Å; T465-Y469 HydrophobicContact CG2-CD2 3.88Å; T465-Y469 HydrophobicContact CG2-CE2 4.33Å; T465-Y469 WeakPolarHBondContact O-CD2 3.3Å; T465-Y469 PolarHBondContact O-N 3.01Å; T465-L477 HydrophobicContact CG2-CD1 3.89Å; T465-L477 HydrophobicContact CG2-CD2 3.63Å; T465-L477 HydrophobicContact CG2-CG 4.41Å
466	M	88.8	Confident	89.8	Confident	25 Å²	25	43.1 Å²	43.1	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.1	-76.8	177.7	70.1	0	0	111.5	E462 R463 K468 G470 I471 N472 I474 L477	E462-M466 WeakPolarHBondContact O-CB 3.43Å; E462-M466 WeakPolarHBondContact O-CG 3.5Å; E462-M466 PolarHBondContact O-N 3.2Å; R463-M466 PolarHBondContact O-N 2.99Å; M466-K468 PolarHBondContact O-N 2.91Å; M466-G470 CarbonylContact O-C 3.55Å; M466-G470 WeakPolarHBondContact O-CA 3.24Å; M466-G470 PolarHBondContact O-N 3.26Å; M466-I471 HydrophobicContact CB-CB 4.46Å; M466-I471 WeakPolarHBondContact CB-O 3.45Å; M466-I471 VanDerWaalsContact CE-O 3.26Å; M466-I471 WeakPolarHBondContact CE-O 3.3Å; M466-I471 HydrophobicContact CG-CB 4.3Å; M466-I471 HydrophobicContact CG-CG2 4.45Å; M466-I471 PolarHBondContact O-N 3.08Å; M466-N472 VanDerWaalsContact CE-C 3.48Å; M466-I474 HydrophobicContact CE-CB 4.26Å; M466-I474 HydrophobicContact SD-CB 3.67Å; M466-I474 HydrophobicContact SD-CD1 4.38Å; M466-I474 HydrophobicContact SD-CG1 3.87Å; M466-L477 HydrophobicContact CG-CD2 3.88Å
467	I	84.3	Confident	89.3	Confident	75 Å²	75	42.9 Å²	42.9	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-60.8	-46.9	176.3	-69.3	167.8	0	0	0	110.7	H423 R463 P464 Y469 G470	H423-I467 WeakPolarHBondContact NE2-CG2 3.4Å; R463-I467 HydrophobicContact CG-CD1 4.3Å; R463-I467 WeakPolarHBondContact O-CG1 3.28Å; R463-I467 PolarHBondContact O-N 3.49Å; R463-I467 VanDerWaalsContact O-N 3.09Å; P464-I467 PolarHBondContact O-N 2.77Å; I467-Y469 PolarHBondContact O-N 3.31Å; I467-G470 PolarHBondContact O-N 2.89Å
468	K	83.1	Confident	88.8	Confident	63 Å²	63	44 Å²	44	27%	0.274	23%	0.23	S	C	.	.	H	α-helix	trans	-64.3	-41.4	-176.3	-177.7	169.5	-170.9	153.1	0	113.7	V230 P464 T465 M466 C493 R494 L495	V230-K468 HydrophobicContact CG2-CD 4.41Å; P464-K468 WeakPolarHBondContact O-CB 3.29Å; P464-K468 PolarHBondContact O-N 3.11Å; T465-K468 PolarHBondContact O-N 2.96Å; M466-K468 PolarHBondContact O-N 2.91Å; K468-C493 WeakPolarHBondContact CE-SG 3.38Å; K468-C493 PolarHBondContact NZ-SG 2.82Å; K468-R494 WeakPolarHBondContact CE-O 3.36Å; K468-R494 PolarHBondContact NZ-O 2.94Å; K468-L495 VanDerWaalsContact NZ-CD2 3.34Å
469	Y	87.3	Confident	88.6	Confident	46 Å²	46	45.2 Å²	45.2	18%	0.18	24%	0.243	C	C	.	.	H	α-helix	trans	-96.4	4.1	-178.4	-73.9	-80.4	0	0	0	113.3	P226 V230 T465 I467 I471 P491 C493	P226-Y469 HydrophobicContact CB-CD2 4.18Å; P226-Y469 HydrophobicContact CB-CE2 3.98Å; V230-Y469 HydrophobicContact CG2-CD2 4.42Å; V230-Y469 HydrophobicContact CG2-CE2 3.74Å; T465-Y469 HydrophobicContact CG2-CD2 3.88Å; T465-Y469 HydrophobicContact CG2-CE2 4.33Å; T465-Y469 WeakPolarHBondContact O-CD2 3.3Å; T465-Y469 PolarHBondContact O-N 3.01Å; I467-Y469 PolarHBondContact O-N 3.31Å; Y469-I471 PolarHBondContact O-N 2.89Å; Y469-P491 HydrophobicContact CD1-CG 4.47Å; Y469-P491 HydrophobicContact CE1-CG 4Å; Y469-P491 PolarHBondContact OH-O 3.35Å; Y469-P491 VanDerWaalsContact OH-O 3.07Å; Y469-C493 WeakPolarHBondContact OH-CB 3.41Å
470	G	87	Confident	88.4	Confident	58 Å²	58	53 Å²	53	60%	0.598	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	32.3	179.3	0	0	0	0	0	114.2	M466 I467	M466-G470 CarbonylContact O-C 3.55Å; M466-G470 WeakPolarHBondContact O-CA 3.24Å; M466-G470 PolarHBondContact O-N 3.26Å; I467-G470 PolarHBondContact O-N 2.89Å
471	I	88	Confident	88.3	Confident	16 Å²	16	59.7 Å²	59.7	8%	0.082	30%	0.304	C	S	.	.			trans	-94.3	124.4	-177.8	-57	168.2	0	0	0	109.2	M466 Y469 N473 E476 L477 M486	M466-I471 HydrophobicContact CB-CB 4.46Å; M466-I471 WeakPolarHBondContact CB-O 3.45Å; M466-I471 VanDerWaalsContact CE-O 3.26Å; M466-I471 WeakPolarHBondContact CE-O 3.3Å; M466-I471 HydrophobicContact CG-CB 4.3Å; M466-I471 HydrophobicContact CG-CG2 4.45Å; M466-I471 PolarHBondContact O-N 3.08Å; Y469-I471 PolarHBondContact O-N 2.89Å; I471-N473 WeakPolarHBondContact CG2-O 3.22Å; I471-E476 HydrophobicContact CG2-CB 4.37Å; I471-L477 HydrophobicContact CD1-CB 4.27Å; I471-L477 HydrophobicContact CD1-CD1 3.84Å; I471-L477 HydrophobicContact CD1-CG 4.46Å; I471-L477 HydrophobicContact CG2-CB 4.46Å; I471-M486 HydrophobicContact CD1-SD 3.79Å; I471-M486 HydrophobicContact CG1-SD 4.31Å
472	N	86.9	Confident	88.2	Confident	148 Å²	148	61.1 Å²	61.1	79%	0.791	31%	0.312	S	S	*	.	S	Bend	trans	-92.3	-16.5	-176.5	-65.8	-42.5	0	0	0	114	M466	M466-N472 VanDerWaalsContact CE-C 3.48Å
473	N	88.4	Confident	88.2	Confident	31 Å²	31	65.6 Å²	65.6	17%	0.166	34%	0.336	C	S	.	.			trans	-128.8	117.7	-175.4	-179.9	0.5	0	0	0	110.3	I471 R475 E476	I471-N473 WeakPolarHBondContact CG2-O 3.22Å; N473-R475 PolarHBondContact O-N 2.91Å; N473-R475 VanDerWaalsContact O-N 3.14Å; N473-R475 WeakPolarHBondContact OD1-CB 3.32Å; N473-R475 PolarHBondContact OD1-N 3.49Å; N473-R475 PolarHBondContact OD1-NE 3.44Å; N473-E476 HydrophobicContact CB-CG 4.19Å; N473-E476 PolarHBondContact ND2-OE1 3.26Å; N473-E476 WeakPolarHBondContact O-CB 3.39Å; N473-E476 PolarHBondContact O-N 3.48Å
474	I	86.9	Confident	88.6	Confident	9 Å²	9	65 Å²	65	5%	0.046	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-27.3	-176.1	-162.1	169.9	0	0	0	112.9	A364 L367 E462 M466 E476 L477 V478	A364-I474 WeakPolarHBondContact O-CG2 3.28Å; A364-I474 PolarHBondContact O-N 3.3Å; L367-I474 HydrophobicContact CD1-CB 4.5Å; L367-I474 HydrophobicContact CD1-CD1 3.82Å; L367-I474 HydrophobicContact CD1-CG1 3.7Å; L367-I474 HydrophobicContact CD1-CG2 4.17Å; L367-I474 HydrophobicContact CD2-CG2 3.89Å; L367-I474 HydrophobicContact CG-CB 4.48Å; L367-I474 HydrophobicContact CG-CD1 3.93Å; L367-I474 HydrophobicContact CG-CG1 4.06Å; L367-I474 HydrophobicContact CG-CG2 3.67Å; E462-I474 HydrophobicContact CB-CD1 3.63Å; E462-I474 HydrophobicContact CB-CG1 4.02Å; E462-I474 HydrophobicContact CG-CD1 3.88Å; E462-I474 HydrophobicContact CG-CG1 4.14Å; M466-I474 HydrophobicContact CE-CB 4.26Å; M466-I474 HydrophobicContact SD-CB 3.67Å; M466-I474 HydrophobicContact SD-CD1 4.38Å; M466-I474 HydrophobicContact SD-CG1 3.87Å; I474-E476 VanDerWaalsContact C-N 3.27Å; I474-E476 PolarHBondContact O-N 3.43Å; I474-L477 WeakPolarHBondContact O-CB 3.41Å; I474-L477 PolarHBondContact O-N 2.9Å; I474-L477 VanDerWaalsContact O-N 3.08Å; I474-V478 PolarHBondContact O-N 3.31Å
475	R	87.1	Confident	88.9	Confident	118 Å²	118	67.9 Å²	67.9	45%	0.445	35%	0.351	S	S	.	.	H	α-helix	trans	-72.7	-18.2	179.6	-62.1	177.7	-68.4	-174.2	-2.8	113.6	D363 L367 N473 L477	D363-R475 PolarHBondContact O-NE 3.28Å; L367-R475 HydrophobicContact CD2-CG 3.85Å; N473-R475 PolarHBondContact O-N 2.91Å; N473-R475 VanDerWaalsContact O-N 3.14Å; N473-R475 WeakPolarHBondContact OD1-CB 3.32Å; N473-R475 PolarHBondContact OD1-N 3.49Å; N473-R475 PolarHBondContact OD1-NE 3.44Å; R475-L477 VanDerWaalsContact C-N 3.34Å
476	E	87.7	Confident	89	Confident	100 Å²	100	70 Å²	70	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-80.1	-24.4	171.3	-67.9	167.8	-155.8	0	0	111.1	I471 N473 I474 M486	I471-E476 HydrophobicContact CG2-CB 4.37Å; N473-E476 HydrophobicContact CB-CG 4.19Å; N473-E476 PolarHBondContact ND2-OE1 3.26Å; N473-E476 WeakPolarHBondContact O-CB 3.39Å; N473-E476 PolarHBondContact O-N 3.48Å; I474-E476 VanDerWaalsContact C-N 3.27Å; I474-E476 PolarHBondContact O-N 3.43Å; E476-M486 WeakPolarHBondContact O-CE 3.4Å
477	L	88.1	Confident	89.3	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-86.5	-38	178.6	179.3	60.9	0	0	0	112.6	H225 P226 L227 T465 M466 I471 I474 R475	H225-L477 PolarHBondContact CE1-O 3.34Å; H225-L477 PolarHBondContact NE2-O 2.98Å; P226-L477 HydrophobicContact CB-CD1 4.16Å; L227-L477 HydrophobicContact CB-CD1 4.29Å; L227-L477 HydrophobicContact CD1-CD2 4.06Å; T465-L477 HydrophobicContact CG2-CD1 3.89Å; T465-L477 HydrophobicContact CG2-CD2 3.63Å; T465-L477 HydrophobicContact CG2-CG 4.41Å; M466-L477 HydrophobicContact CG-CD2 3.88Å; I471-L477 HydrophobicContact CD1-CB 4.27Å; I471-L477 HydrophobicContact CD1-CD1 3.84Å; I471-L477 HydrophobicContact CD1-CG 4.46Å; I471-L477 HydrophobicContact CG2-CB 4.46Å; I474-L477 WeakPolarHBondContact O-CB 3.41Å; I474-L477 PolarHBondContact O-N 2.9Å; I474-L477 VanDerWaalsContact O-N 3.08Å; R475-L477 VanDerWaalsContact C-N 3.34Å
478	V	89.1	Confident	89.7	Confident	30 Å²	30	71 Å²	71	18%	0.182	36%	0.361	C	S	.	.	S	Bend	trans	-127.2	135.8	-170.9	-172.3	0	0	0	0	111.8	L227 L367 E462 I474	L227-V478 HydrophobicContact CD2-CG2 3.87Å; L367-V478 HydrophobicContact CD1-CB 3.86Å; L367-V478 HydrophobicContact CD1-CG1 4.23Å; L367-V478 HydrophobicContact CD1-CG2 4.31Å; E462-V478 HydrophobicContact CG-CG2 4.03Å; I474-V478 PolarHBondContact O-N 3.31Å
479	G	90.2	Very high	90.1	Very high	41 Å²	41	73.2 Å²	73.2	42%	0.423	38%	0.376	S	S	.	.	S	Bend	trans	111.7	178	172.3	0	0	0	0	0	113.9	K481 V482	G479-K481 PolarHBondContact O-N 2.76Å; G479-K481 VanDerWaalsContact O-N 3.11Å; G479-V482 WeakPolarHBondContact O-CB 3.46Å; G479-V482 WeakPolarHBondContact O-CG1 3.23Å; G479-V482 PolarHBondContact O-N 3.24Å; G479-V482 VanDerWaalsContact O-N 3.14Å
480	H	92.4	Very high	90.2	Very high	175 Å²	175	71.7 Å²	71.7	81%	0.81	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.2	-176	67.7	69.3	0	0	0	114.1
481	K	89.8	Confident	90.3	Very high	171 Å²	171	73 Å²	73	74%	0.743	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	9	175.8	-59.8	-167.9	178.8	178.7	0	113	G479 N483	G479-K481 PolarHBondContact O-N 2.76Å; G479-K481 VanDerWaalsContact O-N 3.11Å; K481-N483 PolarHBondContact O-N 2.89Å
482	V	92.5	Very high	90.2	Very high	31 Å²	31	78.1 Å²	78.1	19%	0.188	40%	0.396	C	S	.	.			trans	-54.6	136.1	177.6	65.3	0	0	0	0	110.8	G479 L484 M486 V487	G479-V482 WeakPolarHBondContact O-CB 3.46Å; G479-V482 WeakPolarHBondContact O-CG1 3.23Å; G479-V482 PolarHBondContact O-N 3.24Å; G479-V482 VanDerWaalsContact O-N 3.14Å; V482-L484 HydrophobicContact CG1-CD2 4.2Å; V482-L484 PolarHBondContact O-N 3.45Å; V482-M486 HydrophobicContact CG2-CE 3.88Å; V482-V487 HydrophobicContact CG2-CG2 3.93Å
483	N	92.3	Very high	89.8	Confident	94 Å²	94	71.9 Å²	71.9	50%	0.503	36%	0.364	S	S	.	.			trans	-75.2	109.6	172.7	-178.4	-5	0	0	0	109.2	K481 Q485 M486 V487	K481-N483 PolarHBondContact O-N 2.89Å; N483-Q485 VanDerWaalsContact C-N 3.26Å; N483-Q485 PolarHBondContact O-N 3.15Å; N483-Q485 WeakPolarHBondContact OD1-CB 3.36Å; N483-Q485 PolarHBondContact OD1-N 2.92Å; N483-M486 HydrophobicContact CB-CB 4.13Å; N483-M486 WeakPolarHBondContact O-CB 3.4Å; N483-M486 PolarHBondContact O-N 3.19Å; N483-V487 PolarHBondContact O-N 3.41Å
484	L	94.1	Very high	88.9	Confident	95 Å²	95	78.9 Å²	78.9	50%	0.497	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-31.1	-179.7	-65.1	-179	0	0	0	112.8	V482 M486 V487 Y488	V482-L484 HydrophobicContact CG1-CD2 4.2Å; V482-L484 PolarHBondContact O-N 3.45Å; L484-M486 VanDerWaalsContact C-N 3.28Å; L484-M486 PolarHBondContact O-N 2.93Å; L484-V487 WeakPolarHBondContact O-CA 3.41Å; L484-V487 WeakPolarHBondContact O-CB 3.32Å; L484-V487 PolarHBondContact O-N 3.2Å; L484-Y488 HydrophobicContact CB-CE1 4.28Å; L484-Y488 HydrophobicContact CB-CE2 4.45Å; L484-Y488 VanDerWaalsContact O-CD1 3.23Å; L484-Y488 WeakPolarHBondContact O-CD1 3.18Å; L484-Y488 VanDerWaalsContact O-CG 3.24Å; L484-Y488 PolarHBondContact O-N 3.35Å
485	Q	93.2	Very high	87.5	Confident	100 Å²	100	80.4 Å²	80.4	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-40.6	176.1	-170.3	58.7	50.2	0	0	111	N483 V487 Y488 D489	N483-Q485 VanDerWaalsContact C-N 3.26Å; N483-Q485 PolarHBondContact O-N 3.15Å; N483-Q485 WeakPolarHBondContact OD1-CB 3.36Å; N483-Q485 PolarHBondContact OD1-N 2.92Å; Q485-V487 VanDerWaalsContact C-N 3.28Å; Q485-V487 PolarHBondContact O-N 3.28Å; Q485-Y488 PolarHBondContact O-N 3.41Å; Q485-Y488 VanDerWaalsContact O-N 3.15Å; Q485-D489 WeakPolarHBondContact CG-OD2 3.38Å; Q485-D489 VanDerWaalsContact NE2-CG 3.26Å; Q485-D489 PolarHBondContact NE2-OD1 2.99Å; Q485-D489 PolarHBondContact NE2-OD2 3.21Å; Q485-D489 WeakPolarHBondContact O-CB 3.45Å; Q485-D489 VanDerWaalsContact O-CG 3.27Å; Q485-D489 PolarHBondContact O-N 3.38Å
486	M	92.9	Very high	85.8	Confident	44 Å²	44	82 Å²	82	22%	0.217	41%	0.413	C	S	.	.	H	α-helix	trans	-60.5	-38.3	172.8	178.2	-158.1	67.7	0	0	111.5	P226 I471 E476 V482 N483 L484 Y488 S490	P226-M486 HydrophobicContact CG-CE 4.46Å; I471-M486 HydrophobicContact CD1-SD 3.79Å; I471-M486 HydrophobicContact CG1-SD 4.31Å; E476-M486 WeakPolarHBondContact O-CE 3.4Å; V482-M486 HydrophobicContact CG2-CE 3.88Å; N483-M486 HydrophobicContact CB-CB 4.13Å; N483-M486 WeakPolarHBondContact O-CB 3.4Å; N483-M486 PolarHBondContact O-N 3.19Å; L484-M486 VanDerWaalsContact C-N 3.28Å; L484-M486 PolarHBondContact O-N 2.93Å; M486-Y488 VanDerWaalsContact C-N 3.35Å; M486-S490 VanDerWaalsContact O-CB 3.24Å; M486-S490 WeakPolarHBondContact O-CB 3.37Å; M486-S490 PolarHBondContact O-N 3.26Å
487	V	93.4	Very high	83.5	Confident	11 Å²	11	85.1 Å²	85.1	7%	0.067	45%	0.446	C	S	.	.	H	α-helix	trans	-64.9	-41.5	176.2	178	0	0	0	0	110.7	H223 V482 N483 L484 Q485 S490	H223-V487 HydrophobicContact CB-CG1 4.1Å; V482-V487 HydrophobicContact CG2-CG2 3.93Å; N483-V487 PolarHBondContact O-N 3.41Å; L484-V487 WeakPolarHBondContact O-CA 3.41Å; L484-V487 WeakPolarHBondContact O-CB 3.32Å; L484-V487 PolarHBondContact O-N 3.2Å; Q485-V487 VanDerWaalsContact C-N 3.28Å; Q485-V487 PolarHBondContact O-N 3.28Å; V487-S490 PolarHBondContact O-N 3.48Å; V487-S490 PolarHBondContact O-OG 3.48Å
488	Y	93.2	Very high	83.3	Confident	110 Å²	110	89.4 Å²	89.4	43%	0.431	47%	0.469	S	S	.	.	H	α-helix	trans	-66.7	-45.1	-179	-58.7	-12.3	0	0	0	111.9	H223 L484 Q485 M486 S490	H223-Y488 HydrophobicContact CB-CD1 4.08Å; H223-Y488 AromaticContact CD2-CD1 3.25Å; H223-Y488 WeakPolarHBondContact CD2-CD1 3.41Å; H223-Y488 AromaticContact CD2-CE1 3.71Å; H223-Y488 AromaticContact CD2-CG 3.89Å; H223-Y488 AromaticContact CG-CD1 3.61Å; H223-Y488 AromaticContact NE2-CD1 3.7Å; H223-Y488 AromaticContact NE2-CG 3.83Å; L484-Y488 HydrophobicContact CB-CE1 4.28Å; L484-Y488 HydrophobicContact CB-CE2 4.45Å; L484-Y488 VanDerWaalsContact O-CD1 3.23Å; L484-Y488 WeakPolarHBondContact O-CD1 3.18Å; L484-Y488 VanDerWaalsContact O-CG 3.24Å; L484-Y488 PolarHBondContact O-N 3.35Å; Q485-Y488 PolarHBondContact O-N 3.41Å; Q485-Y488 VanDerWaalsContact O-N 3.15Å; M486-Y488 VanDerWaalsContact C-N 3.35Å; Y488-S490 VanDerWaalsContact C-N 3.27Å; Y488-S490 PolarHBondContact O-N 3.21Å
489	D	91.2	Very high	83	Confident	110 Å²	110	92.5 Å²	92.5	59%	0.588	48%	0.484	S	S	*	.	H	α-helix	trans	-78.7	-13.2	-178.4	-60.2	-26.2	0	0	0	112.6	Q485 P491	Q485-D489 WeakPolarHBondContact CG-OD2 3.38Å; Q485-D489 VanDerWaalsContact NE2-CG 3.26Å; Q485-D489 PolarHBondContact NE2-OD1 2.99Å; Q485-D489 PolarHBondContact NE2-OD2 3.21Å; Q485-D489 WeakPolarHBondContact O-CB 3.45Å; Q485-D489 VanDerWaalsContact O-CG 3.27Å; Q485-D489 PolarHBondContact O-N 3.38Å; D489-P491 WeakPolarHBondContact O-CD 3.34Å
490	S	89.8	Confident	82.6	Confident	13 Å²	13	95.4 Å²	95.4	9%	0.091	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-62.7	121.5	-175.9	66.1	0	0	0	0	111.5	K229 M486 V487 Y488	K229-S490 PolarHBondContact NZ-O 3.1Å; K229-S490 PolarHBondContact NZ-OG 3.14Å; M486-S490 VanDerWaalsContact O-CB 3.24Å; M486-S490 WeakPolarHBondContact O-CB 3.37Å; M486-S490 PolarHBondContact O-N 3.26Å; V487-S490 PolarHBondContact O-N 3.48Å; V487-S490 PolarHBondContact O-OG 3.48Å; Y488-S490 VanDerWaalsContact C-N 3.27Å; Y488-S490 PolarHBondContact O-N 3.21Å
491	P	89.3	Confident	82	Confident	85 Å²	85	90.7 Å²	90.7	55%	0.552	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-66.5	169.3	-179.6	26.7	-35	0	0	0	111.7	K229 Y469 D489 C493	K229-P491 PolarHBondContact NZ-O 3.11Å; Y469-P491 HydrophobicContact CD1-CG 4.47Å; Y469-P491 HydrophobicContact CE1-CG 4Å; Y469-P491 PolarHBondContact OH-O 3.35Å; Y469-P491 VanDerWaalsContact OH-O 3.07Å; D489-P491 WeakPolarHBondContact O-CD 3.34Å; P491-C493 PolarHBondContact O-N 3Å
492	I	85.3	Confident	81.6	Confident	125 Å²	125	85.7 Å²	85.7	64%	0.641	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.4	134.7	169.6	-62	174	0	0	0	108.3	R494	I492-R494 HydrophobicContact CG2-CG 4.13Å; I492-R494 PolarHBondContact O-N 3.22Å
493	C	80.1	Confident	80.8	Confident	17 Å²	17	89.3 Å²	89.3	12%	0.115	47%	0.468	C	S	.	.			trans	-70.4	92	175.3	-173.1	0	0	0	0	109.8	K229 Q233 K468 Y469 P491	K229-C493 HydrophobicContact CB-CB 3.63Å; Q233-C493 PolarHBondContact OE1-SG 2.95Å; K468-C493 WeakPolarHBondContact CE-SG 3.38Å; K468-C493 PolarHBondContact NZ-SG 2.82Å; Y469-C493 WeakPolarHBondContact OH-CB 3.41Å; P491-C493 PolarHBondContact O-N 3Å
494	R	68.3	Low	80	Confident	178 Å²	178	89 Å²	89	67%	0.672	47%	0.466	S	S	*	.			trans	-103.9	126.2	168.6	-63.9	-173.9	178.6	177.9	0.1	107.6	K468 I492	K468-R494 WeakPolarHBondContact CE-O 3.36Å; K468-R494 PolarHBondContact NZ-O 2.94Å; I492-R494 HydrophobicContact CG2-CG 4.13Å; I492-R494 PolarHBondContact O-N 3.22Å
495	L	58	Low	78.9	Confident	41 Å²	41	88.5 Å²	88.5	22%	0.215	46%	0.463	C	S	.	.			trans	-79.2	122.8	162.8	-69.2	152.2	0	0	0	102.7	Q233 I237 L398 K468 S497	Q233-L495 HydrophobicContact CG-CD1 3.57Å; Q233-L495 HydrophobicContact CG-CG 4.37Å; Q233-L495 VanDerWaalsContact NE2-CG 3.33Å; Q233-L495 VanDerWaalsContact OE1-CG 3.25Å; I237-L495 HydrophobicContact CD1-CD1 3.93Å; L398-L495 HydrophobicContact CD2-CD1 3.69Å; L398-L495 HydrophobicContact CD2-CD2 4.24Å; L398-L495 WeakPolarHBondContact O-CD2 3.47Å; K468-L495 VanDerWaalsContact NZ-CD2 3.34Å; L495-S497 PolarHBondContact O-N 3.16Å
496	D	51	Low	77.7	Confident	150 Å²	150	87.6 Å²	87.6	80%	0.802	46%	0.463	S	S	*	.			trans	-62.9	100	168.3	-61.9	-37.9	0	0	0	105.3
497	S	40.5	Very low	76.4	Confident	167 Å²	167	91.5 Å²	91.5	100%	1.168	49%	0.486	S	S	*	.			trans	-71.8	0	179.6	54.6	0	0	0	0	110.5	L495	L495-S497 PolarHBondContact O-N 3.16Å

Retrieved 497 of 497 residues in 620.2 ms (Link to these results)

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