A0A077ZNP4_TRITR Loading...

Piwi domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 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	59.1	Low	87.3	Confident	199 Å²	199	55.7 Å²	55.7	98%	0.98	33%	0.33	S	S	*	.				0	103.9	0	-70.5	-178.4	-169	0	0	107.4
2	G	82.7	Confident	87.8	Confident	58 Å²	58	51.3 Å²	51.3	60%	0.598	30%	0.304	S	S	*	.			trans	-74.8	-155.2	-179.7	0	0	0	0	0	112.8	V4 G5 E6	G2-V4 PolarHBondContact O-N 2.97Å; G2-G5 PolarHBondContact O-N 3.17Å; G2-E6 PolarHBondContact O-N 3.49Å
3	Q	89.1	Confident	88.3	Confident	99 Å²	99	57.3 Å²	57.3	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-51.6	-30.3	-178.5	-66.3	-178.4	-25.4	0	0	114.3	E6 F7 L92 V96	Q3-E6 PolarHBondContact O-N 2.81Å; Q3-F7 WeakPolarHBondContact O-CB 3.43Å; Q3-F7 PolarHBondContact O-N 2.63Å; Q3-L92 HydrophobicContact CB-CD2 3.97Å; Q3-V96 HydrophobicContact CB-CG1 4.48Å
4	V	87.8	Confident	88.8	Confident	47 Å²	47	54.8 Å²	54.8	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-36.8	177.3	-176.2	0	0	0	0	112.4	G2 F7 C8 L29 L92	G2-V4 PolarHBondContact O-N 2.97Å; V4-F7 WeakPolarHBondContact O-CB 3.24Å; V4-F7 PolarHBondContact O-N 3.08Å; V4-C8 PolarHBondContact O-N 3.35Å; V4-C8 PolarHBondContact O-SG 2.96Å; V4-C8 VanDerWaalsContact O-SG 3.32Å; V4-L29 HydrophobicContact CB-CD1 4.37Å; V4-L29 HydrophobicContact CG1-CD1 3.62Å; V4-L92 HydrophobicContact CG2-CD1 3.96Å
5	G	86.7	Confident	89.1	Confident	20 Å²	20	51.1 Å²	51.1	21%	0.206	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-42.2	177	0	0	0	0	0	111.8	G2 C8 A9	G2-G5 PolarHBondContact O-N 3.17Å; G5-C8 PolarHBondContact O-N 3.03Å; G5-A9 PolarHBondContact O-N 2.59Å
6	E	91.1	Very high	89.5	Confident	84 Å²	84	51.5 Å²	51.5	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-40.9	174.3	-171.1	177.5	175.7	0	0	111.7	G2 Q3 C8 A9 N10 V96	G2-E6 PolarHBondContact O-N 3.49Å; Q3-E6 PolarHBondContact O-N 2.81Å; E6-C8 PolarHBondContact O-N 3.42Å; E6-A9 PolarHBondContact O-N 3.44Å; E6-N10 WeakPolarHBondContact O-CB 3.32Å; E6-N10 VanDerWaalsContact O-CG 3.3Å; E6-N10 PolarHBondContact O-N 3.5Å; E6-V96 HydrophobicContact CB-CG1 4.35Å; E6-V96 HydrophobicContact CG-CG1 4.15Å; E6-V96 WeakPolarHBondContact OE2-CG1 3.39Å
7	F	93.8	Very high	89.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.5	-52.3	172.7	173.8	-97.5	0	0	0	111.6	Q3 V4 A9 N10 V11 F60 F87 V91 L92 V95 V96 L107	Q3-F7 WeakPolarHBondContact O-CB 3.43Å; Q3-F7 PolarHBondContact O-N 2.63Å; V4-F7 WeakPolarHBondContact O-CB 3.24Å; V4-F7 PolarHBondContact O-N 3.08Å; F7-A9 VanDerWaalsContact C-N 3.33Å; F7-A9 PolarHBondContact O-N 3.2Å; F7-N10 PolarHBondContact O-N 3.31Å; F7-V11 HydrophobicContact CD1-CG2 4.46Å; F7-V11 HydrophobicContact CD2-CG2 4.28Å; F7-V11 HydrophobicContact CE1-CG2 4.12Å; F7-V11 HydrophobicContact CE2-CG2 3.93Å; F7-V11 HydrophobicContact CZ-CG2 3.86Å; F7-V11 VanDerWaalsContact O-CG2 3.31Å; F7-V11 WeakPolarHBondContact O-CG2 3.33Å; F7-V11 PolarHBondContact O-N 3.4Å; F7-F60 AromaticContact CE1-CD1 3.99Å; F7-F60 HydrophobicContact CE1-CD1 3.99Å; F7-F60 HydrophobicContact CE1-CE1 4.35Å; F7-F87 HydrophobicContact CD1-CE1 4.37Å; F7-F87 HydrophobicContact CD1-CE2 4.4Å; F7-F87 HydrophobicContact CD1-CZ 4.09Å; F7-F87 AromaticContact CE1-CD1 3.87Å; F7-F87 HydrophobicContact CE1-CD1 3.87Å; F7-F87 HydrophobicContact CE1-CD2 4.28Å; F7-F87 AromaticContact CE1-CE1 3.69Å; F7-F87 HydrophobicContact CE1-CE1 3.69Å; F7-F87 HydrophobicContact CE1-CE2 4.11Å; F7-F87 HydrophobicContact CE1-CG 4.16Å; F7-F87 AromaticContact CE1-CZ 3.8Å; F7-F87 HydrophobicContact CE1-CZ 3.8Å; F7-F87 HydrophobicContact CE2-CD2 4.46Å; F7-F87 HydrophobicContact CZ-CB 4.43Å; F7-F87 AromaticContact CZ-CD1 3.98Å; F7-F87 HydrophobicContact CZ-CD1 3.98Å; F7-F87 HydrophobicContact CZ-CD2 4.02Å; F7-F87 HydrophobicContact CZ-CE1 4.24Å; F7-F87 HydrophobicContact CZ-CE2 4.27Å; F7-F87 AromaticContact CZ-CG 3.86Å; F7-F87 HydrophobicContact CZ-CG 3.86Å; F7-F87 HydrophobicContact CZ-CZ 4.36Å; F7-V91 HydrophobicContact CE2-CG1 4.31Å; F7-L92 HydrophobicContact CD2-CB 4.45Å; F7-V95 HydrophobicContact CD2-CB 3.8Å; F7-V95 HydrophobicContact CD2-CG1 3.79Å; F7-V95 HydrophobicContact CD2-CG2 4.33Å; F7-V95 HydrophobicContact CE2-CB 3.95Å; F7-V95 HydrophobicContact CE2-CG1 4.14Å; F7-V95 HydrophobicContact CE2-CG2 3.96Å; F7-V96 HydrophobicContact CB-CG2 3.64Å; F7-V96 HydrophobicContact CD2-CG2 4.37Å; F7-L107 HydrophobicContact CE1-CD2 4.46Å; F7-L107 HydrophobicContact CE2-CD2 4.25Å; F7-L107 HydrophobicContact CZ-CD2 3.61Å
8	C	91.2	Very high	90.1	Very high	14 Å²	14	56.6 Å²	56.6	10%	0.095	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-42.6	179.2	-69.8	0	0	0	0	111.9	V4 G5 E6 A12	V4-C8 PolarHBondContact O-N 3.35Å; V4-C8 PolarHBondContact O-SG 2.96Å; V4-C8 VanDerWaalsContact O-SG 3.32Å; G5-C8 PolarHBondContact O-N 3.03Å; E6-C8 PolarHBondContact O-N 3.42Å; C8-A12 VanDerWaalsContact O-CB 3.22Å; C8-A12 WeakPolarHBondContact O-CB 3.33Å; C8-A12 PolarHBondContact O-N 3.24Å
9	A	91.1	Very high	90.3	Very high	42 Å²	42	57.2 Å²	57.2	35%	0.347	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-43.6	177.8	0	0	0	0	0	112.2	G5 E6 F7 A12 K13	G5-A9 PolarHBondContact O-N 2.59Å; E6-A9 PolarHBondContact O-N 3.44Å; F7-A9 VanDerWaalsContact C-N 3.33Å; F7-A9 PolarHBondContact O-N 3.2Å; A9-A12 PolarHBondContact O-N 3.35Å; A9-K13 WeakPolarHBondContact O-CB 3.23Å; A9-K13 PolarHBondContact O-N 2.92Å
10	N	93.5	Very high	90.3	Very high	50 Å²	50	55.4 Å²	55.4	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-42.7	178.8	-72.9	-14.6	0	0	0	111.9	E6 F7 K13 V14 V95	E6-N10 WeakPolarHBondContact O-CB 3.32Å; E6-N10 VanDerWaalsContact O-CG 3.3Å; E6-N10 PolarHBondContact O-N 3.5Å; F7-N10 PolarHBondContact O-N 3.31Å; N10-K13 PolarHBondContact O-N 3.4Å; N10-V14 WeakPolarHBondContact O-CG2 3.15Å; N10-V14 PolarHBondContact O-N 3.22Å; N10-V14 VanDerWaalsContact O-N 3.12Å; N10-V95 HydrophobicContact CB-CG1 3.9Å
11	V	93.8	Very high	90.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66	-44.2	176.4	175.7	0	0	0	0	110.8	F7 K13 V14 C15 F60 V95 L107 I111	F7-V11 HydrophobicContact CD1-CG2 4.46Å; F7-V11 HydrophobicContact CD2-CG2 4.28Å; F7-V11 HydrophobicContact CE1-CG2 4.12Å; F7-V11 HydrophobicContact CE2-CG2 3.93Å; F7-V11 HydrophobicContact CZ-CG2 3.86Å; F7-V11 VanDerWaalsContact O-CG2 3.31Å; F7-V11 WeakPolarHBondContact O-CG2 3.33Å; F7-V11 PolarHBondContact O-N 3.4Å; V11-K13 VanDerWaalsContact C-N 3.32Å; V11-K13 PolarHBondContact O-N 3.39Å; V11-V14 PolarHBondContact O-N 3.49Å; V11-C15 WeakPolarHBondContact O-CB 3.49Å; V11-C15 PolarHBondContact O-N 3.37Å; V11-C15 PolarHBondContact O-SG 3.25Å; V11-F60 HydrophobicContact CG1-CE1 4.1Å; V11-F60 HydrophobicContact CG1-CZ 4.14Å; V11-V95 HydrophobicContact CG2-CG1 4.24Å; V11-L107 HydrophobicContact CG1-CD2 4Å; V11-L107 HydrophobicContact CG1-CG 4.42Å; V11-L107 HydrophobicContact CG2-CD2 3.68Å; V11-I111 HydrophobicContact CG1-CD1 3.87Å
12	A	93.4	Very high	91.9	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-40.3	176.9	0	0	0	0	0	111.7	C8 A9 C15 N16 M22 G23	C8-A12 VanDerWaalsContact O-CB 3.22Å; C8-A12 WeakPolarHBondContact O-CB 3.33Å; C8-A12 PolarHBondContact O-N 3.24Å; A9-A12 PolarHBondContact O-N 3.35Å; A12-C15 PolarHBondContact O-N 2.91Å; A12-N16 PolarHBondContact O-N 2.71Å; A12-N16 PolarHBondContact O-ND2 2.73Å; A12-M22 HydrophobicContact CB-CG 4.22Å; A12-M22 HydrophobicContact CB-SD 4.23Å; A12-G23 VanDerWaalsContact CB-O 3.29Å; A12-G23 WeakPolarHBondContact CB-O 3.32Å
13	K	94.5	Very high	92.2	Very high	130 Å²	130	52.3 Å²	52.3	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-57.3	-53.7	174	-177.2	-175.7	175.3	-175.6	0	111	A9 N10 V11 C15 N16 D17	A9-K13 WeakPolarHBondContact O-CB 3.23Å; A9-K13 PolarHBondContact O-N 2.92Å; N10-K13 PolarHBondContact O-N 3.4Å; V11-K13 VanDerWaalsContact C-N 3.32Å; V11-K13 PolarHBondContact O-N 3.39Å; K13-C15 VanDerWaalsContact C-N 3.29Å; K13-C15 PolarHBondContact O-N 3.32Å; K13-N16 PolarHBondContact O-N 3.06Å; K13-N16 VanDerWaalsContact O-N 3.12Å; K13-D17 VanDerWaalsContact O-CG 3.24Å; K13-D17 PolarHBondContact O-N 2.97Å
14	V	94.9	Very high	92.2	Very high	22 Å²	22	57.9 Å²	57.9	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-36.8	179.9	175.3	0	0	0	0	112	N10 V11 D17 L18 A104 A108	N10-V14 WeakPolarHBondContact O-CG2 3.15Å; N10-V14 PolarHBondContact O-N 3.22Å; N10-V14 VanDerWaalsContact O-N 3.12Å; V11-V14 PolarHBondContact O-N 3.49Å; V14-D17 PolarHBondContact O-N 2.7Å; V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 WeakPolarHBondContact O-CB 3.22Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.13Å; V14-L18 PolarHBondContact O-N 3.22Å; V14-L18 VanDerWaalsContact O-N 3.11Å; V14-A104 HydrophobicContact CB-CB 4.33Å; V14-A104 HydrophobicContact CG1-CB 4.43Å; V14-A104 HydrophobicContact CG2-CB 3.87Å; V14-A108 HydrophobicContact CG1-CB 4.1Å
15	C	94.6	Very high	92.1	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-50	173.1	-69.5	0	0	0	0	111.1	V11 A12 K13 D17 L18 G19 V20 M22 A108	V11-C15 WeakPolarHBondContact O-CB 3.49Å; V11-C15 PolarHBondContact O-N 3.37Å; V11-C15 PolarHBondContact O-SG 3.25Å; A12-C15 PolarHBondContact O-N 2.91Å; K13-C15 VanDerWaalsContact C-N 3.29Å; K13-C15 PolarHBondContact O-N 3.32Å; C15-D17 PolarHBondContact O-N 2.97Å; C15-L18 CarbonylContact O-C 3.57Å; C15-L18 PolarHBondContact O-N 2.96Å; C15-L18 VanDerWaalsContact O-N 3.13Å; C15-G19 PolarHBondContact O-N 3.36Å; C15-V20 CarbonylContact C-O 3.58Å; C15-V20 HydrophobicContact CB-CB 3.97Å; C15-V20 HydrophobicContact CB-CG1 4.3Å; C15-V20 WeakPolarHBondContact O-CA 3.45Å; C15-V20 WeakPolarHBondContact O-CB 3.38Å; C15-V20 PolarHBondContact O-N 3.47Å; C15-M22 HydrophobicContact CB-CB 3.96Å; C15-M22 HydrophobicContact CB-SD 4.08Å; C15-A108 VanDerWaalsContact SG-CB 3.53Å
16	N	95.5	Very high	92.1	Very high	57 Å²	57	64.4 Å²	64.4	31%	0.305	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-39.1	179.2	-73.1	-65.8	0	0	0	112.4	A12 K13 L18 G19 V20 M22	A12-N16 PolarHBondContact O-N 2.71Å; A12-N16 PolarHBondContact O-ND2 2.73Å; K13-N16 PolarHBondContact O-N 3.06Å; K13-N16 VanDerWaalsContact O-N 3.12Å; N16-L18 PolarHBondContact O-N 2.88Å; N16-G19 PolarHBondContact O-N 2.94Å; N16-V20 PolarHBondContact N-O 3.03Å; N16-M22 PolarHBondContact ND2-O 3.07Å; N16-M22 PolarHBondContact OD1-N 3.38Å
17	D	95.2	Very high	91.9	Very high	118 Å²	118	65.6 Å²	65.6	63%	0.631	36%	0.364	S	S	*	.	H	α-helix	trans	-62.4	-27.9	175.8	-65.6	-16.7	0	0	0	111.9	K13 V14 C15	K13-D17 VanDerWaalsContact O-CG 3.24Å; K13-D17 PolarHBondContact O-N 2.97Å; V14-D17 PolarHBondContact O-N 2.7Å; C15-D17 PolarHBondContact O-N 2.97Å
18	L	93.2	Very high	91.7	Very high	76 Å²	76	67.7 Å²	67.7	40%	0.398	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.8	174.9	-65.6	171.2	0	0	0	113.5	V14 C15 N16 T105 A108 M287	V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 WeakPolarHBondContact O-CB 3.22Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.13Å; V14-L18 PolarHBondContact O-N 3.22Å; V14-L18 VanDerWaalsContact O-N 3.11Å; C15-L18 CarbonylContact O-C 3.57Å; C15-L18 PolarHBondContact O-N 2.96Å; C15-L18 VanDerWaalsContact O-N 3.13Å; N16-L18 PolarHBondContact O-N 2.88Å; L18-T105 HydrophobicContact CD1-CG2 4.17Å; L18-A108 HydrophobicContact CD1-CB 3.77Å; L18-M287 HydrophobicContact CD2-CE 4.44Å
19	G	93.8	Very high	91.6	Very high	69 Å²	69	72.3 Å²	72.3	71%	0.711	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	8.9	-178.6	0	0	0	0	0	115.2	C15 N16 N21	C15-G19 PolarHBondContact O-N 3.36Å; N16-G19 PolarHBondContact O-N 2.94Å; G19-N21 PolarHBondContact O-N 3.26Å
20	V	91.6	Very high	91.7	Very high	20 Å²	20	72.6 Å²	72.6	12%	0.121	39%	0.393	C	S	.	.			trans	-88.8	100.3	174.1	-174.7	0	0	0	0	108.7	C15 N16 M22 N112	C15-V20 CarbonylContact C-O 3.58Å; C15-V20 HydrophobicContact CB-CB 3.97Å; C15-V20 HydrophobicContact CB-CG1 4.3Å; C15-V20 WeakPolarHBondContact O-CA 3.45Å; C15-V20 WeakPolarHBondContact O-CB 3.38Å; C15-V20 PolarHBondContact O-N 3.47Å; N16-V20 PolarHBondContact N-O 3.03Å; V20-M22 PolarHBondContact O-N 3.45Å; V20-N112 HydrophobicContact CG2-CB 3.8Å
21	N	90.8	Very high	91.5	Very high	155 Å²	155	75.9 Å²	75.9	83%	0.829	42%	0.417	S	S	*	.			trans	-62.6	107.7	-178.4	-173.9	2	0	0	0	111.1	G19	G19-N21 PolarHBondContact O-N 3.26Å
22	M	91.7	Very high	91.4	Very high	39 Å²	39	79 Å²	79	19%	0.192	44%	0.436	C	S	.	.			trans	-133.6	135.8	-176.4	-172.5	173.4	177	0	0	110.7	A12 C15 N16 V20 R24 F60	A12-M22 HydrophobicContact CB-CG 4.22Å; A12-M22 HydrophobicContact CB-SD 4.23Å; C15-M22 HydrophobicContact CB-CB 3.96Å; C15-M22 HydrophobicContact CB-SD 4.08Å; N16-M22 PolarHBondContact ND2-O 3.07Å; N16-M22 PolarHBondContact OD1-N 3.38Å; V20-M22 PolarHBondContact O-N 3.45Å; M22-R24 PolarHBondContact O-N 3.48Å; M22-F60 HydrophobicContact CE-CD2 4.49Å; M22-F60 HydrophobicContact CE-CE2 3.38Å; M22-F60 HydrophobicContact CE-CZ 3.58Å
23	G	90	Very high	91.1	Very high	54 Å²	54	87.7 Å²	87.7	56%	0.557	48%	0.476	S	S	*	.			trans	-55.2	134.3	174.8	0	0	0	0	0	111.7	A12 K25	A12-G23 VanDerWaalsContact CB-O 3.29Å; A12-G23 WeakPolarHBondContact CB-O 3.32Å; G23-K25 PolarHBondContact O-N 2.97Å
24	R	87.4	Confident	90.9	Very high	216 Å²	216	85.1 Å²	85.1	82%	0.815	47%	0.469	S	S	*	.	S	Bend	trans	-68.7	-14.6	-175	-64.5	-177.3	-178.8	177	0.1	114.2	M22	M22-R24 PolarHBondContact O-N 3.48Å
25	K	85.7	Confident	90.7	Very high	155 Å²	155	86.1 Å²	86.1	67%	0.674	48%	0.475	S	S	*	.	S	Bend	trans	-136	152.3	178.4	64.2	-178.9	-176.4	177.6	0	109.4	G23	G23-K25 PolarHBondContact O-N 2.97Å
26	A	86.4	Confident	90.6	Very high	49 Å²	49	91 Å²	91	41%	0.405	51%	0.505	S	S	.	.			trans	-67.1	136.5	167.7	0	0	0	0	0	109.3	M28	A26-M28 VanDerWaalsContact C-N 3.3Å
27	D	87.7	Confident	90.5	Very high	110 Å²	110	89.4 Å²	89.4	59%	0.588	50%	0.499	S	S	*	.	S	Bend	trans	-65.1	-39.5	174.3	-65.6	-36.9	0	0	0	110.8	Y49	D27-Y49 VanDerWaalsContact CB-OH 3.24Å; D27-Y49 WeakPolarHBondContact CB-OH 3.29Å; D27-Y49 PolarHBondContact OD2-OH 3.22Å
28	M	89.5	Confident	90.5	Very high	43 Å²	43	84.3 Å²	84.3	21%	0.212	47%	0.471	C	S	.	.			trans	-138.8	147.2	-178	-62.9	178.4	68.3	0	0	110.9	A26 L30 L45 E48 Y49	A26-M28 VanDerWaalsContact C-N 3.3Å; M28-L30 HydrophobicContact CE-CD1 3.94Å; M28-L30 HydrophobicContact CE-CD2 3.81Å; M28-L30 HydrophobicContact CE-CG 4.1Å; M28-L45 HydrophobicContact CB-CD1 4.46Å; M28-L45 HydrophobicContact CE-CD1 4.26Å; M28-L45 HydrophobicContact SD-CD1 3.66Å; M28-E48 HydrophobicContact CE-CG 4.28Å; M28-E48 WeakPolarHBondContact CE-OE1 3.41Å; M28-E48 WeakPolarHBondContact CE-OE2 3.5Å; M28-E48 HydrophobicContact SD-CG 4.26Å; M28-Y49 HydrophobicContact CG-CE2 4.45Å; M28-Y49 HydrophobicContact SD-CD2 4.12Å; M28-Y49 HydrophobicContact SD-CE2 3.71Å
29	L	90.2	Very high	90.7	Very high	112 Å²	112	83.4 Å²	83.4	59%	0.586	47%	0.465	S	S	*	.			trans	-127.1	108.5	169.8	-176.1	72.2	0	0	0	108	V4	V4-L29 HydrophobicContact CB-CD1 4.37Å; V4-L29 HydrophobicContact CG1-CD1 3.62Å
30	L	91.9	Very high	90.8	Very high	48 Å²	48	87.5 Å²	87.5	25%	0.251	46%	0.464	S	S	.	.			trans	-109.8	117.6	-174.7	-63.8	175.5	0	0	0	109.8	M28 V41 L45	M28-L30 HydrophobicContact CE-CD1 3.94Å; M28-L30 HydrophobicContact CE-CD2 3.81Å; M28-L30 HydrophobicContact CE-CG 4.1Å; L30-V41 HydrophobicContact CB-CG1 3.75Å; L30-V41 HydrophobicContact CD1-CG1 3.74Å; L30-V41 HydrophobicContact CG-CG1 4.38Å; L30-L45 HydrophobicContact CD1-CB 4.1Å; L30-L45 HydrophobicContact CD1-CD1 3.92Å
31	P	90.8	Very high	91	Very high	119 Å²	119	88 Å²	88	77%	0.773	47%	0.466	S	S	*	.			trans	-68.9	140.3	172.3	29.3	-33	0	0	0	110
32	V	91	Very high	91.2	Very high	64 Å²	64	80.8 Å²	80.8	39%	0.388	43%	0.428	S	S	.	.			trans	-123	123.3	175.9	-172	0	0	0	0	106.9	D34 A37 F38 V41	V32-D34 WeakPolarHBondContact CG1-O 3.5Å; V32-A37 HydrophobicContact CG1-CB 4.15Å; V32-F38 HydrophobicContact CG1-CB 4.36Å; V32-V41 HydrophobicContact CG2-CB 4.32Å; V32-V41 HydrophobicContact CG2-CG1 4.06Å; V32-V41 HydrophobicContact CG2-CG2 4.16Å
33	Q	87.4	Confident	91.3	Very high	186 Å²	186	84.8 Å²	84.8	87%	0.869	45%	0.446	S	S	*	.	S	Bend	trans	-70.8	-45.6	-177	-69.7	178.5	-9.2	0	0	111.6
34	D	90.2	Very high	91.6	Very high	76 Å²	76	89.9 Å²	89.9	41%	0.406	45%	0.449	S	S	.	.	S	Bend	trans	-152.7	175	178.2	62.9	43.4	0	0	0	110.8	V32 T36 A37	V32-D34 WeakPolarHBondContact CG1-O 3.5Å; D34-T36 PolarHBondContact O-N 3.45Å; D34-T36 WeakPolarHBondContact OD1-CA 3.29Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.49Å; D34-T36 PolarHBondContact OD1-N 2.99Å; D34-T36 PolarHBondContact OD1-OG1 3.01Å; D34-A37 PolarHBondContact O-N 3.44Å; D34-A37 PolarHBondContact OD1-N 3.35Å
35	V	91	Very high	91.9	Very high	43 Å²	43	80.2 Å²	80.2	26%	0.261	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.2	-178.5	77.8	0	0	0	0	113.6	F38 E68 E71	V35-F38 WeakPolarHBondContact O-CB 3.4Å; V35-F38 PolarHBondContact O-N 3.42Å; V35-E68 HydrophobicContact CB-CB 4.43Å; V35-E68 HydrophobicContact CB-CG 4.2Å; V35-E68 HydrophobicContact CG2-CB 3.97Å; V35-E68 HydrophobicContact CG2-CG 4.3Å; V35-E71 HydrophobicContact CG2-CB 3.61Å; V35-E71 HydrophobicContact CG2-CG 3.65Å
36	T	90.7	Very high	92.2	Very high	103 Å²	103	75.4 Å²	75.4	63%	0.632	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-28.8	179.5	76.4	0	0	0	0	111.9	D34 F38	D34-T36 PolarHBondContact O-N 3.45Å; D34-T36 WeakPolarHBondContact OD1-CA 3.29Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.49Å; D34-T36 PolarHBondContact OD1-N 2.99Å; D34-T36 PolarHBondContact OD1-OG1 3.01Å; T36-F38 VanDerWaalsContact C-N 3.28Å; T36-F38 PolarHBondContact O-N 3.29Å
37	A	94.7	Very high	92.6	Very high	22 Å²	22	75.8 Å²	75.8	18%	0.182	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.7	173.4	0	0	0	0	0	113.1	V32 D34 E39 K40 V41	V32-A37 HydrophobicContact CG1-CB 4.15Å; D34-A37 PolarHBondContact O-N 3.44Å; D34-A37 PolarHBondContact OD1-N 3.35Å; A37-E39 VanDerWaalsContact C-N 3.34Å; A37-E39 PolarHBondContact O-N 3.27Å; A37-K40 PolarHBondContact O-N 3.27Å; A37-V41 WeakPolarHBondContact O-CG2 3.34Å; A37-V41 PolarHBondContact O-N 2.93Å
38	F	95.5	Very high	92.9	Very high	11 Å²	11	73.4 Å²	73.4	5%	0.048	39%	0.385	C	S	.	.	H	α-helix	trans	-57.7	-42.3	-174.6	-177.9	-110.2	0	0	0	113.2	V32 V35 T36 V41 L42 V61 V72 V75	V32-F38 HydrophobicContact CG1-CB 4.36Å; V35-F38 WeakPolarHBondContact O-CB 3.4Å; V35-F38 PolarHBondContact O-N 3.42Å; T36-F38 VanDerWaalsContact C-N 3.28Å; T36-F38 PolarHBondContact O-N 3.29Å; F38-V41 PolarHBondContact O-N 3.03Å; F38-L42 HydrophobicContact CD1-CD1 4.07Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CG 3.99Å; F38-L42 HydrophobicContact CE2-CD1 4.32Å; F38-L42 HydrophobicContact CE2-CD2 4.5Å; F38-L42 HydrophobicContact CE2-CG 4.17Å; F38-L42 HydrophobicContact CZ-CD1 3.47Å; F38-L42 VanDerWaalsContact CZ-CD1 3.47Å; F38-L42 HydrophobicContact CZ-CD2 4.19Å; F38-L42 HydrophobicContact CZ-CG 3.79Å; F38-L42 PolarHBondContact O-N 3.26Å; F38-V61 HydrophobicContact CE2-CG1 3.96Å; F38-V61 HydrophobicContact CE2-CG2 3.92Å; F38-V61 HydrophobicContact CZ-CG2 4.03Å; F38-V72 HydrophobicContact CD1-CB 4.44Å; F38-V72 HydrophobicContact CD1-CG2 4.03Å; F38-V72 HydrophobicContact CD2-CG2 4.4Å; F38-V72 HydrophobicContact CE1-CB 4.03Å; F38-V72 HydrophobicContact CE1-CG1 3.85Å; F38-V72 HydrophobicContact CE1-CG2 4.01Å; F38-V72 HydrophobicContact CE2-CG1 4.46Å; F38-V72 HydrophobicContact CE2-CG2 4.38Å; F38-V72 HydrophobicContact CG-CG2 4.23Å; F38-V72 HydrophobicContact CZ-CB 4.33Å; F38-V72 HydrophobicContact CZ-CG1 3.73Å; F38-V72 HydrophobicContact CZ-CG2 4.19Å; F38-V75 HydrophobicContact CD1-CB 4.13Å; F38-V75 HydrophobicContact CD1-CG1 4.14Å; F38-V75 HydrophobicContact CE1-CB 4.22Å; F38-V75 HydrophobicContact CE1-CG1 4.28Å
39	E	95.9	Very high	93.1	Very high	58 Å²	58	72.7 Å²	72.7	27%	0.271	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-47.1	178.4	176.3	162.5	176.6	0	0	112	A37 V41 L42 E43 V75 K79 F80	A37-E39 VanDerWaalsContact C-N 3.34Å; A37-E39 PolarHBondContact O-N 3.27Å; E39-V41 VanDerWaalsContact C-N 3.28Å; E39-V41 PolarHBondContact O-N 2.97Å; E39-L42 PolarHBondContact O-N 3.43Å; E39-E43 PolarHBondContact O-N 3.17Å; E39-V75 HydrophobicContact CB-CG1 3.9Å; E39-V75 HydrophobicContact CB-CG2 4.38Å; E39-V75 HydrophobicContact CG-CG1 4.14Å; E39-K79 WeakPolarHBondContact OE1-CD 3.44Å; E39-K79 IonicContact OE1-NZ 3.11Å; E39-K79 PolarHBondContact OE1-NZ 2.84Å; E39-K79 IonicContact OE2-NZ 2.8Å; E39-K79 PolarHBondContact OE2-NZ 3.26Å; E39-F80 HydrophobicContact CG-CE2 4.07Å; E39-F80 HydrophobicContact CG-CZ 4.32Å
40	K	95.8	Very high	93.2	Very high	155 Å²	155	75.5 Å²	75.5	67%	0.674	39%	0.387	S	S	*	.	H	α-helix	trans	-63.2	-35.7	177.2	-64.5	-178.3	-179.6	177.3	0	112.1	A37 E43 R44	A37-K40 PolarHBondContact O-N 3.27Å; K40-E43 PolarHBondContact O-N 3.36Å; K40-R44 PolarHBondContact O-N 3.2Å; K40-R44 VanDerWaalsContact O-N 3.07Å
41	V	95.9	Very high	93.3	Very high	30 Å²	30	80.9 Å²	80.9	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-69.2	-40.9	177.5	172.7	0	0	0	0	111.3	L30 V32 A37 F38 E39 R44 L45	L30-V41 HydrophobicContact CB-CG1 3.75Å; L30-V41 HydrophobicContact CD1-CG1 3.74Å; L30-V41 HydrophobicContact CG-CG1 4.38Å; V32-V41 HydrophobicContact CG2-CB 4.32Å; V32-V41 HydrophobicContact CG2-CG1 4.06Å; V32-V41 HydrophobicContact CG2-CG2 4.16Å; A37-V41 WeakPolarHBondContact O-CG2 3.34Å; A37-V41 PolarHBondContact O-N 2.93Å; F38-V41 PolarHBondContact O-N 3.03Å; E39-V41 VanDerWaalsContact C-N 3.28Å; E39-V41 PolarHBondContact O-N 2.97Å; V41-R44 PolarHBondContact O-N 3.06Å; V41-L45 WeakPolarHBondContact O-CB 3.33Å; V41-L45 PolarHBondContact O-N 2.93Å
42	L	95.4	Very high	93.4	Very high	3 Å²	3	80.7 Å²	80.7	2%	0.016	40%	0.4	C	S	.	.	H	α-helix	trans	-65.4	-39.4	173.3	-78.6	-176.6	0	0	0	112.2	F38 E39 R44 L45 V46 V59 V75 A76 F80	F38-L42 HydrophobicContact CD1-CD1 4.07Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CG 3.99Å; F38-L42 HydrophobicContact CE2-CD1 4.32Å; F38-L42 HydrophobicContact CE2-CD2 4.5Å; F38-L42 HydrophobicContact CE2-CG 4.17Å; F38-L42 HydrophobicContact CZ-CD1 3.47Å; F38-L42 VanDerWaalsContact CZ-CD1 3.47Å; F38-L42 HydrophobicContact CZ-CD2 4.19Å; F38-L42 HydrophobicContact CZ-CG 3.79Å; F38-L42 PolarHBondContact O-N 3.26Å; E39-L42 PolarHBondContact O-N 3.43Å; L42-R44 PolarHBondContact O-N 3.34Å; L42-L45 HydrophobicContact CD2-CD2 3.96Å; L42-L45 WeakPolarHBondContact O-CB 3.45Å; L42-L45 PolarHBondContact O-N 3.48Å; L42-V46 WeakPolarHBondContact O-CG2 3.18Å; L42-V46 PolarHBondContact O-N 2.73Å; L42-V59 HydrophobicContact CD2-CG2 4.41Å; L42-V75 HydrophobicContact CD1-CG1 3.91Å; L42-A76 HydrophobicContact CD1-CB 4.18Å; L42-F80 HydrophobicContact CB-CD2 3.99Å; L42-F80 HydrophobicContact CB-CE2 3.86Å; L42-F80 HydrophobicContact CB-CG 4.39Å; L42-F80 HydrophobicContact CB-CZ 4.15Å; L42-F80 HydrophobicContact CD1-CD2 3.92Å; L42-F80 HydrophobicContact CD1-CE2 4.34Å
43	E	95.1	Very high	93.5	Very high	123 Å²	123	85.1 Å²	85.1	58%	0.575	42%	0.421	S	S	*	.	H	α-helix	trans	-58.2	-47.6	175	-172.9	175	-164.5	0	0	111.5	E39 K40 V46 A47 F80	E39-E43 PolarHBondContact O-N 3.17Å; K40-E43 PolarHBondContact O-N 3.36Å; E43-V46 PolarHBondContact O-N 3.01Å; E43-A47 PolarHBondContact O-N 3.11Å; E43-F80 HydrophobicContact CB-CE1 4.13Å; E43-F80 HydrophobicContact CB-CZ 3.98Å
44	R	94.5	Very high	93.7	Very high	162 Å²	162	82.1 Å²	82.1	61%	0.611	41%	0.405	S	S	*	.	H	α-helix	trans	-59.9	-46	174.3	-178.7	-178.8	173.2	176.2	0.8	112.4	K40 V41 L42 V46 A47 E48	K40-R44 PolarHBondContact O-N 3.2Å; K40-R44 VanDerWaalsContact O-N 3.07Å; V41-R44 PolarHBondContact O-N 3.06Å; L42-R44 PolarHBondContact O-N 3.34Å; R44-V46 VanDerWaalsContact C-N 3.33Å; R44-V46 PolarHBondContact O-N 2.96Å; R44-A47 PolarHBondContact O-N 2.64Å; R44-E48 PolarHBondContact O-N 3.13Å
45	L	94.4	Very high	93.7	Very high	12 Å²	12	84.1 Å²	84.1	6%	0.063	42%	0.42	C	S	.	.	H	α-helix	trans	-57.3	-46.3	178.3	179.4	81.7	0	0	0	111.3	M28 L30 V41 L42 E48 Y49 V59	M28-L45 HydrophobicContact CB-CD1 4.46Å; M28-L45 HydrophobicContact CE-CD1 4.26Å; M28-L45 HydrophobicContact SD-CD1 3.66Å; L30-L45 HydrophobicContact CD1-CB 4.1Å; L30-L45 HydrophobicContact CD1-CD1 3.92Å; V41-L45 WeakPolarHBondContact O-CB 3.33Å; V41-L45 PolarHBondContact O-N 2.93Å; L42-L45 HydrophobicContact CD2-CD2 3.96Å; L42-L45 WeakPolarHBondContact O-CB 3.45Å; L42-L45 PolarHBondContact O-N 3.48Å; L45-E48 PolarHBondContact O-N 3.43Å; L45-Y49 HydrophobicContact CD1-CD2 4.1Å; L45-Y49 HydrophobicContact CD1-CE2 3.76Å; L45-Y49 HydrophobicContact CG-CD2 4.26Å; L45-Y49 HydrophobicContact CG-CE2 4.32Å; L45-Y49 WeakPolarHBondContact O-CD2 2.96Å; L45-Y49 PolarHBondContact O-N 3.22Å; L45-V59 HydrophobicContact CD2-CG2 3.49Å; L45-V59 VanDerWaalsContact CD2-CG2 3.49Å
46	V	93.1	Very high	93.6	Very high	54 Å²	54	82.9 Å²	82.9	33%	0.327	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-42.1	179.5	172	0	0	0	0	111.2	L42 E43 R44 K50 F80 I82	L42-V46 WeakPolarHBondContact O-CG2 3.18Å; L42-V46 PolarHBondContact O-N 2.73Å; E43-V46 PolarHBondContact O-N 3.01Å; R44-V46 VanDerWaalsContact C-N 3.33Å; R44-V46 PolarHBondContact O-N 2.96Å; V46-K50 VanDerWaalsContact O-CB 3.29Å; V46-K50 WeakPolarHBondContact O-CB 3.43Å; V46-K50 PolarHBondContact O-N 3.45Å; V46-F80 HydrophobicContact CG2-CD1 4.04Å; V46-I82 HydrophobicContact CG2-CD1 3.43Å; V46-I82 VanDerWaalsContact CG2-CD1 3.43Å
47	A	93.7	Very high	93.6	Very high	57 Å²	57	86.7 Å²	86.7	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-46.2	177.4	0	0	0	0	0	111.7	E43 R44 K50 E51	E43-A47 PolarHBondContact O-N 3.11Å; R44-A47 PolarHBondContact O-N 2.64Å; A47-K50 WeakPolarHBondContact O-CB 3.49Å; A47-K50 PolarHBondContact O-N 3.04Å; A47-E51 PolarHBondContact O-N 3.49Å
48	E	94	Very high	93.5	Very high	60 Å²	60	87.5 Å²	87.5	28%	0.28	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-42.8	-179.9	-170.6	170.4	149.9	0	0	112.2	M28 R44 L45 K50 E51 H52	M28-E48 HydrophobicContact CE-CG 4.28Å; M28-E48 WeakPolarHBondContact CE-OE1 3.41Å; M28-E48 WeakPolarHBondContact CE-OE2 3.5Å; M28-E48 HydrophobicContact SD-CG 4.26Å; R44-E48 PolarHBondContact O-N 3.13Å; L45-E48 PolarHBondContact O-N 3.43Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 2.88Å; E48-E51 PolarHBondContact O-N 2.93Å; E48-H52 PolarHBondContact O-CD2 3.32Å; E48-H52 PolarHBondContact O-N 2.86Å
49	Y	93.7	Very high	93.5	Very high	29 Å²	29	88.1 Å²	88.1	11%	0.114	42%	0.422	C	S	.	.	H	α-helix	trans	-62.6	-40.4	174.2	-91.6	-109.4	0	0	0	111.8	D27 M28 L45 H52 N53 K54 C56	D27-Y49 VanDerWaalsContact CB-OH 3.24Å; D27-Y49 WeakPolarHBondContact CB-OH 3.29Å; D27-Y49 PolarHBondContact OD2-OH 3.22Å; M28-Y49 HydrophobicContact CG-CE2 4.45Å; M28-Y49 HydrophobicContact SD-CD2 4.12Å; M28-Y49 HydrophobicContact SD-CE2 3.71Å; L45-Y49 HydrophobicContact CD1-CD2 4.1Å; L45-Y49 HydrophobicContact CD1-CE2 3.76Å; L45-Y49 HydrophobicContact CG-CD2 4.26Å; L45-Y49 HydrophobicContact CG-CE2 4.32Å; L45-Y49 WeakPolarHBondContact O-CD2 2.96Å; L45-Y49 PolarHBondContact O-N 3.22Å; Y49-H52 CarbonylContact O-C 3.54Å; Y49-H52 PolarHBondContact O-N 3.12Å; Y49-N53 PolarHBondContact O-N 3.14Å; Y49-K54 CarbonylContact C-O 3.51Å; Y49-K54 HydrophobicContact CD1-CB 3.65Å; Y49-K54 HydrophobicContact CE1-CB 4.32Å; Y49-K54 HydrophobicContact CG-CB 4.39Å; Y49-K54 PolarHBondContact O-N 2.87Å; Y49-K54 VanDerWaalsContact O-O 3.05Å; Y49-C56 HydrophobicContact CD1-CB 3.7Å; Y49-C56 HydrophobicContact CD2-CB 4.25Å; Y49-C56 HydrophobicContact CE1-CB 3.87Å; Y49-C56 HydrophobicContact CE2-CB 4.37Å; Y49-C56 HydrophobicContact CG-CB 3.9Å
50	K	92.6	Very high	93.4	Very high	171 Å²	171	87.7 Å²	87.7	74%	0.743	42%	0.419	S	S	*	.	H	α-helix	trans	-64.3	-42.1	177.7	-172.7	-179	-174.9	-175.1	0	111.8	V46 A47 E48 H52 N53	V46-K50 VanDerWaalsContact O-CB 3.29Å; V46-K50 WeakPolarHBondContact O-CB 3.43Å; V46-K50 PolarHBondContact O-N 3.45Å; A47-K50 WeakPolarHBondContact O-CB 3.49Å; A47-K50 PolarHBondContact O-N 3.04Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 2.88Å; K50-H52 PolarHBondContact O-N 3.24Å; K50-N53 PolarHBondContact O-N 2.88Å
51	E	94.3	Very high	93.4	Very high	161 Å²	161	81 Å²	81	75%	0.752	39%	0.391	S	S	*	.	H	α-helix	trans	-58.8	-36.2	175.8	-172.2	177.3	175.5	0	0	111.9	A47 E48 N53	A47-E51 PolarHBondContact O-N 3.49Å; E48-E51 PolarHBondContact O-N 2.93Å; E51-N53 VanDerWaalsContact C-N 3.33Å; E51-N53 PolarHBondContact O-N 3.4Å
52	H	93.3	Very high	93.3	Very high	115 Å²	115	82.3 Å²	82.3	53%	0.532	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	11.1	176.5	-66.4	-55.7	0	0	0	114.9	E48 Y49 K50 K54	E48-H52 PolarHBondContact O-CD2 3.32Å; E48-H52 PolarHBondContact O-N 2.86Å; Y49-H52 CarbonylContact O-C 3.54Å; Y49-H52 PolarHBondContact O-N 3.12Å; K50-H52 PolarHBondContact O-N 3.24Å; H52-K54 HydrophobicContact CB-CD 4.36Å; H52-K54 HydrophobicContact CB-CG 4.37Å; H52-K54 PolarHBondContact O-N 3.43Å
53	N	93.2	Very high	93.2	Very high	157 Å²	157	82.6 Å²	82.6	84%	0.84	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.1	-176	-160.8	34.5	0	0	0	113.3	Y49 K50 E51	Y49-N53 PolarHBondContact O-N 3.14Å; K50-N53 PolarHBondContact O-N 2.88Å; E51-N53 VanDerWaalsContact C-N 3.33Å; E51-N53 PolarHBondContact O-N 3.4Å
54	K	91.2	Very high	93.1	Very high	122 Å²	122	81.3 Å²	81.3	53%	0.53	41%	0.408	S	S	.	.			trans	-113.4	157	177	-68.1	179.3	-176.6	176.4	0	110.3	Y49 H52	Y49-K54 CarbonylContact C-O 3.51Å; Y49-K54 HydrophobicContact CD1-CB 3.65Å; Y49-K54 HydrophobicContact CE1-CB 4.32Å; Y49-K54 HydrophobicContact CG-CB 4.39Å; Y49-K54 PolarHBondContact O-N 2.87Å; Y49-K54 VanDerWaalsContact O-O 3.05Å; H52-K54 HydrophobicContact CB-CD 4.36Å; H52-K54 HydrophobicContact CB-CG 4.37Å; H52-K54 PolarHBondContact O-N 3.43Å
55	V	89	Confident	93	Very high	118 Å²	118	76.6 Å²	76.6	72%	0.715	40%	0.395	S	S	*	.			trans	-114.8	120.4	173.7	-179.6	0	0	0	0	108.9	R57	V55-R57 PolarHBondContact O-N 2.83Å
56	C	90.8	Very high	92.8	Very high	18 Å²	18	80.7 Å²	80.7	12%	0.122	42%	0.421	C	S	.	.			trans	-73.6	111.2	174.6	-172.1	0	0	0	0	109.4	Y49	Y49-C56 HydrophobicContact CD1-CB 3.7Å; Y49-C56 HydrophobicContact CD2-CB 4.25Å; Y49-C56 HydrophobicContact CE1-CB 3.87Å; Y49-C56 HydrophobicContact CE2-CB 4.37Å; Y49-C56 HydrophobicContact CG-CB 3.9Å
57	R	89.4	Confident	92.7	Very high	183 Å²	183	86 Å²	86	69%	0.691	44%	0.439	S	S	*	.			trans	-92.9	-27.5	-178.1	-71.1	-171.8	175.1	133.5	-1.2	114.2	V55 M83 M115	V55-R57 PolarHBondContact O-N 2.83Å; R57-M83 WeakPolarHBondContact O-CB 3.39Å; R57-M115 HydrophobicContact CB-CE 4.08Å
58	L	93.1	Very high	92.7	Very high	39 Å²	39	85.1 Å²	85.1	20%	0.204	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	131.6	-173.9	179.2	65	0	0	0	110.6	F60 M83 Q85 I111	L58-F60 HydrophobicContact CD2-CD2 4.37Å; L58-F60 HydrophobicContact CD2-CE2 3.55Å; L58-F60 HydrophobicContact CD2-CZ 4.12Å; L58-F60 HydrophobicContact CG-CD2 4.35Å; L58-F60 HydrophobicContact CG-CE2 4Å; L58-M83 CarbonylContact C-O 3.51Å; L58-M83 WeakPolarHBondContact CA-O 3.36Å; L58-M83 HydrophobicContact CD1-CB 4.18Å; L58-Q85 HydrophobicContact CD1-CB 4.18Å; L58-I111 HydrophobicContact CD2-CG1 4.4Å; L58-I111 HydrophobicContact CD2-CG2 3.76Å
59	V	94.7	Very high	92.7	Very high	24 Å²	24	85.1 Å²	85.1	15%	0.145	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129	174.1	178.3	0	0	0	0	109.9	L42 L45 V61 I82 M83 T84 Q85	L42-V59 HydrophobicContact CD2-CG2 4.41Å; L45-V59 HydrophobicContact CD2-CG2 3.49Å; L45-V59 VanDerWaalsContact CD2-CG2 3.49Å; V59-V61 HydrophobicContact CG1-CG2 3.97Å; V59-I82 HydrophobicContact CB-CG2 4.41Å; V59-I82 HydrophobicContact CG2-CG2 3.66Å; V59-M83 PolarHBondContact N-O 2.79Å; V59-T84 HydrophobicContact CB-CG2 4.23Å; V59-T84 CarbonylContact O-C 3.38Å; V59-T84 VanDerWaalsContact O-CA 3.27Å; V59-T84 WeakPolarHBondContact O-CA 3.47Å; V59-Q85 PolarHBondContact O-N 2.9Å
60	F	94.5	Very high	92.8	Very high	48 Å²	48	84.7 Å²	84.7	21%	0.211	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.1	170.1	-77.8	-103.1	0	0	0	109.1	F7 V11 M22 L58 Q85 F87 L107 I111	F7-F60 AromaticContact CE1-CD1 3.99Å; F7-F60 HydrophobicContact CE1-CD1 3.99Å; F7-F60 HydrophobicContact CE1-CE1 4.35Å; V11-F60 HydrophobicContact CG1-CE1 4.1Å; V11-F60 HydrophobicContact CG1-CZ 4.14Å; M22-F60 HydrophobicContact CE-CD2 4.49Å; M22-F60 HydrophobicContact CE-CE2 3.38Å; M22-F60 HydrophobicContact CE-CZ 3.58Å; L58-F60 HydrophobicContact CD2-CD2 4.37Å; L58-F60 HydrophobicContact CD2-CE2 3.55Å; L58-F60 HydrophobicContact CD2-CZ 4.12Å; L58-F60 HydrophobicContact CG-CD2 4.35Å; L58-F60 HydrophobicContact CG-CE2 4Å; F60-Q85 WeakPolarHBondContact CA-O 3.36Å; F60-Q85 HydrophobicContact CD1-CB 4.22Å; F60-Q85 HydrophobicContact CD1-CG 4.21Å; F60-Q85 HydrophobicContact CE1-CB 4.27Å; F60-Q85 HydrophobicContact CE1-CG 4.03Å; F60-F87 HydrophobicContact CB-CE1 4.09Å; F60-F87 HydrophobicContact CD1-CD1 4.38Å; F60-F87 HydrophobicContact CD1-CE1 4.35Å; F60-L107 HydrophobicContact CE1-CD2 4.33Å; F60-I111 HydrophobicContact CE1-CD1 3.92Å; F60-I111 HydrophobicContact CZ-CD1 3.51Å; F60-I111 HydrophobicContact CZ-CG1 4.36Å
61	V	95.1	Very high	92.9	Very high	14 Å²	14	77.8 Å²	77.8	9%	0.085	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113	-177.8	-171	0	0	0	0	109	F38 V59 L63 V72 T84 Q85 C86 F87	F38-V61 HydrophobicContact CE2-CG1 3.96Å; F38-V61 HydrophobicContact CE2-CG2 3.92Å; F38-V61 HydrophobicContact CZ-CG2 4.03Å; V59-V61 HydrophobicContact CG1-CG2 3.97Å; V61-L63 HydrophobicContact CG1-CD2 3.84Å; V61-V72 HydrophobicContact CB-CG1 4.33Å; V61-V72 HydrophobicContact CG1-CG1 4.1Å; V61-V72 HydrophobicContact CG1-CG2 4.12Å; V61-V72 HydrophobicContact CG2-CG1 4.11Å; V61-T84 HydrophobicContact CG2-CG2 4Å; V61-Q85 PolarHBondContact N-O 3.02Å; V61-C86 CarbonylContact O-C 3.58Å; V61-C86 VanDerWaalsContact O-CA 3.22Å; V61-C86 WeakPolarHBondContact O-CA 3.36Å; V61-F87 PolarHBondContact O-N 3.29Å
62	S	94.1	Very high	93	Very high	59 Å²	59	70.2 Å²	70.2	41%	0.413	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.3	170.9	-170	0	0	0	0	108.7	F87	S62-F87 WeakPolarHBondContact CA-O 3.48Å
63	L	94.2	Very high	93.2	Very high	9 Å²	9	64.9 Å²	64.9	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.7	177.6	-58.4	-178.3	0	0	0	110.4	V61 E68 Y69 V72 C86 F87 M88	V61-L63 HydrophobicContact CG1-CD2 3.84Å; L63-E68 WeakPolarHBondContact CA-OE2 3.46Å; L63-E68 HydrophobicContact CD2-CB 4.03Å; L63-Y69 HydrophobicContact CD1-CD2 3.98Å; L63-V72 HydrophobicContact CD2-CG2 3.93Å; L63-C86 HydrophobicContact CD1-CB 3.75Å; L63-C86 HydrophobicContact CG-CB 4.13Å; L63-F87 PolarHBondContact N-O 3.21Å; L63-M88 HydrophobicContact CB-SD 3.66Å; L63-M88 HydrophobicContact CD1-SD 4.49Å
64	S	92.1	Very high	93.3	Very high	96 Å²	96	59.1 Å²	59.1	67%	0.671	30%	0.301	S	S	*	.	S	Bend	trans	-88.4	-38.3	174.1	84.7	0	0	0	0	111	E68 M88	S64-E68 PolarHBondContact N-OE2 3.22Å; S64-E68 PolarHBondContact OG-OE1 2.87Å; S64-M88 WeakPolarHBondContact O-CE 3.16Å
65	D	92.1	Very high	93.5	Very high	63 Å²	63	53.3 Å²	53.3	34%	0.337	28%	0.276	S	S	.	.	S	Bend	trans	-130.1	142	177.1	-170.2	-27.1	0	0	0	110.2	K67 E68	D65-K67 PolarHBondContact O-N 3.25Å; D65-K67 PolarHBondContact OD1-N 3.44Å; D65-E68 HydrophobicContact CB-CG 4.35Å; D65-E68 PolarHBondContact N-OE2 3.33Å; D65-E68 WeakPolarHBondContact O-CB 3.47Å; D65-E68 WeakPolarHBondContact O-CG 3.34Å; D65-E68 PolarHBondContact O-N 3.12Å; D65-E68 VanDerWaalsContact O-N 3.13Å
66	T	91.3	Very high	93.9	Very high	98 Å²	98	47.7 Å²	47.7	60%	0.601	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.4	169	56.2	0	0	0	0	114.5	E68 Y69 M88	T66-E68 PolarHBondContact O-N 3.08Å; T66-Y69 VanDerWaalsContact O-CB 3.23Å; T66-Y69 WeakPolarHBondContact O-CB 3.16Å; T66-Y69 PolarHBondContact O-N 2.93Å; T66-M88 HydrophobicContact CG2-CE 4.24Å; T66-M88 HydrophobicContact CG2-SD 4.34Å
67	K	90.2	Very high	94.2	Very high	166 Å²	166	46.9 Å²	46.9	72%	0.722	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.7	178.1	-67.1	175.8	-176.1	174	0	113	D65 Y69	D65-K67 PolarHBondContact O-N 3.25Å; D65-K67 PolarHBondContact OD1-N 3.44Å; K67-Y69 PolarHBondContact O-N 2.99Å
68	E	93.7	Very high	94.5	Very high	38 Å²	38	39.7 Å²	39.7	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-24.1	178.4	-59.6	171.6	163.5	0	0	112.3	V35 L63 S64 D65 T66 S70 E71 V72	V35-E68 HydrophobicContact CB-CB 4.43Å; V35-E68 HydrophobicContact CB-CG 4.2Å; V35-E68 HydrophobicContact CG2-CB 3.97Å; V35-E68 HydrophobicContact CG2-CG 4.3Å; L63-E68 WeakPolarHBondContact CA-OE2 3.46Å; L63-E68 HydrophobicContact CD2-CB 4.03Å; S64-E68 PolarHBondContact N-OE2 3.22Å; S64-E68 PolarHBondContact OG-OE1 2.87Å; D65-E68 HydrophobicContact CB-CG 4.35Å; D65-E68 PolarHBondContact N-OE2 3.33Å; D65-E68 WeakPolarHBondContact O-CB 3.47Å; D65-E68 WeakPolarHBondContact O-CG 3.34Å; D65-E68 PolarHBondContact O-N 3.12Å; D65-E68 VanDerWaalsContact O-N 3.13Å; T66-E68 PolarHBondContact O-N 3.08Å; E68-S70 VanDerWaalsContact C-N 3.33Å; E68-S70 PolarHBondContact O-N 2.84Å; E68-E71 PolarHBondContact O-N 3.23Å; E68-V72 PolarHBondContact O-N 3.04Å; E68-V72 VanDerWaalsContact O-N 3.08Å
69	Y	95	Very high	94.6	Very high	60 Å²	60	42.1 Å²	42.1	24%	0.235	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-43.4	-173.3	-178.8	-90.8	0	0	0	112.9	L63 T66 K67 E71 V72 K73 C86 H308	L63-Y69 HydrophobicContact CD1-CD2 3.98Å; T66-Y69 VanDerWaalsContact O-CB 3.23Å; T66-Y69 WeakPolarHBondContact O-CB 3.16Å; T66-Y69 PolarHBondContact O-N 2.93Å; K67-Y69 PolarHBondContact O-N 2.99Å; Y69-E71 VanDerWaalsContact C-N 3.34Å; Y69-E71 PolarHBondContact O-N 3.35Å; Y69-V72 PolarHBondContact O-N 3.27Å; Y69-K73 HydrophobicContact CD1-CG 4.03Å; Y69-K73 HydrophobicContact CE1-CG 3.59Å; Y69-K73 HydrophobicContact CE2-CD 4.47Å; Y69-K73 HydrophobicContact CE2-CG 4.12Å; Y69-K73 HydrophobicContact CG-CG 4.46Å; Y69-K73 WeakPolarHBondContact O-CG 3.47Å; Y69-K73 PolarHBondContact O-N 2.75Å; Y69-K73 WeakPolarHBondContact OH-CE 3.5Å; Y69-C86 HydrophobicContact CD2-CB 4.15Å; Y69-C86 HydrophobicContact CE2-CB 4.22Å; Y69-H308 AromaticContact CD1-CE1 3.66Å; Y69-H308 AromaticContact CD1-CG 3.98Å; Y69-H308 AromaticContact CD1-ND1 3.69Å; Y69-H308 AromaticContact CD1-NE2 3.92Å; Y69-H308 AromaticContact CE1-CD2 3.73Å; Y69-H308 AromaticContact CE1-CE1 3.97Å; Y69-H308 AromaticContact CE1-CG 3.92Å; Y69-H308 AromaticContact CE1-NE2 3.75Å
70	S	94.9	Very high	94.6	Very high	20 Å²	20	42.9 Å²	42.9	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-44	-178	-59.4	0	0	0	0	111.5	E68 K73 R74 H308	E68-S70 VanDerWaalsContact C-N 3.33Å; E68-S70 PolarHBondContact O-N 2.84Å; S70-K73 PolarHBondContact O-N 3.15Å; S70-R74 WeakPolarHBondContact O-CB 3.16Å; S70-R74 PolarHBondContact O-N 3.17Å; S70-H308 PolarHBondContact OG-ND1 2.86Å
71	E	95	Very high	94.7	Very high	25 Å²	25	41 Å²	41	12%	0.117	22%	0.217	C	C	.	.	H	α-helix	trans	-68.3	-44.4	-179.6	-178.7	58.6	174.3	0	0	111.6	V35 E68 Y69 K73 R74 V75 Y311	V35-E71 HydrophobicContact CG2-CB 3.61Å; V35-E71 HydrophobicContact CG2-CG 3.65Å; E68-E71 PolarHBondContact O-N 3.23Å; Y69-E71 VanDerWaalsContact C-N 3.34Å; Y69-E71 PolarHBondContact O-N 3.35Å; E71-K73 VanDerWaalsContact C-N 3.29Å; E71-K73 PolarHBondContact O-N 3.05Å; E71-R74 PolarHBondContact O-N 3.13Å; E71-R74 IonicContact OE1-CZ 3.24Å; E71-R74 IonicContact OE1-NE 2.71Å; E71-R74 IonicContact OE1-NH2 3.97Å; E71-R74 PolarHBondContact OE1-NH2 3.22Å; E71-R74 IonicContact OE2-CZ 2.63Å; E71-R74 VanDerWaalsContact OE2-CZ 3.24Å; E71-R74 IonicContact OE2-NE 3.75Å; E71-R74 PolarHBondContact OE2-NE 3.37Å; E71-R74 IonicContact OE2-NH2 2.73Å; E71-R74 PolarHBondContact OE2-NH2 3.39Å; E71-V75 HydrophobicContact CG-CG2 4.31Å; E71-V75 WeakPolarHBondContact O-CB 3.34Å; E71-V75 VanDerWaalsContact O-CG2 3.32Å; E71-V75 WeakPolarHBondContact O-CG2 3.4Å; E71-V75 PolarHBondContact O-N 3.47Å; E71-Y311 HydrophobicContact CB-CE1 4.33Å; E71-Y311 WeakPolarHBondContact CB-OH 3.41Å; E71-Y311 PolarHBondContact OE2-OH 2.72Å
72	V	96.4	Very high	94.7	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-45.4	175.5	167.7	0	0	0	0	111.2	F38 V61 L63 E68 Y69 A76	F38-V72 HydrophobicContact CD1-CB 4.44Å; F38-V72 HydrophobicContact CD1-CG2 4.03Å; F38-V72 HydrophobicContact CD2-CG2 4.4Å; F38-V72 HydrophobicContact CE1-CB 4.03Å; F38-V72 HydrophobicContact CE1-CG1 3.85Å; F38-V72 HydrophobicContact CE1-CG2 4.01Å; F38-V72 HydrophobicContact CE2-CG1 4.46Å; F38-V72 HydrophobicContact CE2-CG2 4.38Å; F38-V72 HydrophobicContact CG-CG2 4.23Å; F38-V72 HydrophobicContact CZ-CB 4.33Å; F38-V72 HydrophobicContact CZ-CG1 3.73Å; F38-V72 HydrophobicContact CZ-CG2 4.19Å; V61-V72 HydrophobicContact CB-CG1 4.33Å; V61-V72 HydrophobicContact CG1-CG1 4.1Å; V61-V72 HydrophobicContact CG1-CG2 4.12Å; V61-V72 HydrophobicContact CG2-CG1 4.11Å; L63-V72 HydrophobicContact CD2-CG2 3.93Å; E68-V72 PolarHBondContact O-N 3.04Å; E68-V72 VanDerWaalsContact O-N 3.08Å; Y69-V72 PolarHBondContact O-N 3.27Å; V72-A76 WeakPolarHBondContact O-CB 3.46Å; V72-A76 PolarHBondContact O-N 3.49Å
73	K	96.5	Very high	94.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-41.4	178.6	-68.5	-49.2	-173	177.6	0	112.9	Y69 S70 E71 D77 T84	Y69-K73 HydrophobicContact CD1-CG 4.03Å; Y69-K73 HydrophobicContact CE1-CG 3.59Å; Y69-K73 HydrophobicContact CE2-CD 4.47Å; Y69-K73 HydrophobicContact CE2-CG 4.12Å; Y69-K73 HydrophobicContact CG-CG 4.46Å; Y69-K73 WeakPolarHBondContact O-CG 3.47Å; Y69-K73 PolarHBondContact O-N 2.75Å; Y69-K73 WeakPolarHBondContact OH-CE 3.5Å; S70-K73 PolarHBondContact O-N 3.15Å; E71-K73 VanDerWaalsContact C-N 3.29Å; E71-K73 PolarHBondContact O-N 3.05Å; K73-D77 WeakPolarHBondContact O-CA 3.35Å; K73-D77 WeakPolarHBondContact O-CB 3.49Å; K73-D77 PolarHBondContact O-N 3.28Å; K73-T84 PolarHBondContact NZ-O 2.88Å; K73-T84 PolarHBondContact NZ-OG1 3.03Å
74	R	95.8	Very high	94.8	Very high	37 Å²	37	37.9 Å²	37.9	14%	0.14	20%	0.195	C	C	.	.	I	π-helix	trans	-59.6	-51.7	175.9	-173.2	-168	68.8	79.9	2.9	110.5	S70 E71 V78 H309 Y311	S70-R74 WeakPolarHBondContact O-CB 3.16Å; S70-R74 PolarHBondContact O-N 3.17Å; E71-R74 PolarHBondContact O-N 3.13Å; E71-R74 IonicContact OE1-CZ 3.24Å; E71-R74 IonicContact OE1-NE 2.71Å; E71-R74 IonicContact OE1-NH2 3.97Å; E71-R74 PolarHBondContact OE1-NH2 3.22Å; E71-R74 IonicContact OE2-CZ 2.63Å; E71-R74 VanDerWaalsContact OE2-CZ 3.24Å; E71-R74 IonicContact OE2-NE 3.75Å; E71-R74 PolarHBondContact OE2-NE 3.37Å; E71-R74 IonicContact OE2-NH2 2.73Å; E71-R74 PolarHBondContact OE2-NH2 3.39Å; R74-V78 WeakPolarHBondContact O-CB 3.49Å; R74-V78 PolarHBondContact O-N 3.24Å; R74-H309 WeakPolarHBondContact CG-O 3.41Å; R74-Y311 HydrophobicContact CB-CE1 4.38Å
75	V	96.2	Very high	95	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-64.5	-51.4	-178.6	177.1	0	0	0	0	110.8	F38 E39 L42 E71 K79 F80	F38-V75 HydrophobicContact CD1-CB 4.13Å; F38-V75 HydrophobicContact CD1-CG1 4.14Å; F38-V75 HydrophobicContact CE1-CB 4.22Å; F38-V75 HydrophobicContact CE1-CG1 4.28Å; E39-V75 HydrophobicContact CB-CG1 3.9Å; E39-V75 HydrophobicContact CB-CG2 4.38Å; E39-V75 HydrophobicContact CG-CG1 4.14Å; L42-V75 HydrophobicContact CD1-CG1 3.91Å; E71-V75 HydrophobicContact CG-CG2 4.31Å; E71-V75 WeakPolarHBondContact O-CB 3.34Å; E71-V75 VanDerWaalsContact O-CG2 3.32Å; E71-V75 WeakPolarHBondContact O-CG2 3.4Å; E71-V75 PolarHBondContact O-N 3.47Å; V75-K79 WeakPolarHBondContact O-CA 3.48Å; V75-K79 VanDerWaalsContact O-CB 3.29Å; V75-K79 WeakPolarHBondContact O-CB 3.44Å; V75-K79 PolarHBondContact O-N 3.08Å; V75-K79 VanDerWaalsContact O-N 3.08Å; V75-F80 HydrophobicContact CG1-CD2 3.72Å; V75-F80 HydrophobicContact CG1-CE2 3.57Å; V75-F80 PolarHBondContact O-N 2.86Å
76	A	97	Very high	95.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-69.1	-44.3	-175.8	0	0	0	0	0	113.5	L42 V72 G81 I82 T84	L42-A76 HydrophobicContact CD1-CB 4.18Å; V72-A76 WeakPolarHBondContact O-CB 3.46Å; V72-A76 PolarHBondContact O-N 3.49Å; A76-G81 WeakPolarHBondContact O-CA 3.23Å; A76-G81 PolarHBondContact O-N 2.82Å; A76-I82 PolarHBondContact O-N 2.84Å; A76-T84 HydrophobicContact CB-CG2 3.43Å; A76-T84 VanDerWaalsContact CB-CG2 3.43Å
77	D	97	Very high	95.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.128	C	C	.	.	I	π-helix	trans	-80.8	-37.6	-173.9	-58.4	-13	0	0	0	112	K73 R305 H309 V341 H342 I345	K73-D77 WeakPolarHBondContact O-CA 3.35Å; K73-D77 WeakPolarHBondContact O-CB 3.49Å; K73-D77 PolarHBondContact O-N 3.28Å; D77-R305 IonicContact OD1-NH1 2.8Å; D77-R305 WeakPolarHBondContact OD2-CD 3.46Å; D77-R305 IonicContact OD2-CZ 3.41Å; D77-R305 IonicContact OD2-NH1 2.97Å; D77-R305 PolarHBondContact OD2-NH1 3.33Å; D77-H309 WeakPolarHBondContact CB-NE2 3.18Å; D77-H309 IonicContact OD2-CD2 2.85Å; D77-H309 IonicContact OD2-CE1 3.58Å; D77-H309 IonicContact OD2-NE2 2.7Å; D77-H309 PolarHBondContact OD2-NE2 3.32Å; D77-V341 HydrophobicContact CB-CG1 4.44Å; D77-H342 WeakPolarHBondContact O-CB 3.19Å; D77-H342 PolarHBondContact O-N 3.46Å; D77-I345 HydrophobicContact CB-CD1 3.65Å; D77-I345 WeakPolarHBondContact O-CD1 3.36Å
78	V	95.5	Very high	95.5	Very high	31 Å²	31	21.6 Å²	21.6	19%	0.188	10%	0.104	C	C	.	.	I	π-helix	trans	-95.7	-42.5	-172.7	-178	0	0	0	0	112.1	R74 H309 A338 T340	R74-V78 WeakPolarHBondContact O-CB 3.49Å; R74-V78 PolarHBondContact O-N 3.24Å; V78-H309 HydrophobicContact CG2-CB 4.11Å; V78-A338 WeakPolarHBondContact CG2-O 3.25Å; V78-T340 WeakPolarHBondContact CG1-O 3.35Å
79	K	95.2	Very high	95.5	Very high	90 Å²	90	24.7 Å²	24.7	39%	0.391	12%	0.118	S	C	.	.	I	π-helix	trans	-87.7	-46.6	-175.4	-64.6	-172.6	164.6	-175.1	0	113.6	E39 V75 H342	E39-K79 WeakPolarHBondContact OE1-CD 3.44Å; E39-K79 IonicContact OE1-NZ 3.11Å; E39-K79 PolarHBondContact OE1-NZ 2.84Å; E39-K79 IonicContact OE2-NZ 2.8Å; E39-K79 PolarHBondContact OE2-NZ 3.26Å; V75-K79 WeakPolarHBondContact O-CA 3.48Å; V75-K79 VanDerWaalsContact O-CB 3.29Å; V75-K79 WeakPolarHBondContact O-CB 3.44Å; V75-K79 PolarHBondContact O-N 3.08Å; V75-K79 VanDerWaalsContact O-N 3.08Å; K79-H342 PolarHBondContact O-CD2 3.36Å
80	F	95.5	Very high	95.5	Very high	41 Å²	41	30.6 Å²	30.6	18%	0.18	14%	0.14	C	C	.	.	I	π-helix	trans	-104.5	-22.4	-172.2	-67.5	-81.4	0	0	0	114.5	E39 L42 E43 V46 V75 I82	E39-F80 HydrophobicContact CG-CE2 4.07Å; E39-F80 HydrophobicContact CG-CZ 4.32Å; L42-F80 HydrophobicContact CB-CD2 3.99Å; L42-F80 HydrophobicContact CB-CE2 3.86Å; L42-F80 HydrophobicContact CB-CG 4.39Å; L42-F80 HydrophobicContact CB-CZ 4.15Å; L42-F80 HydrophobicContact CD1-CD2 3.92Å; L42-F80 HydrophobicContact CD1-CE2 4.34Å; E43-F80 HydrophobicContact CB-CE1 4.13Å; E43-F80 HydrophobicContact CB-CZ 3.98Å; V46-F80 HydrophobicContact CG2-CD1 4.04Å; V75-F80 HydrophobicContact CG1-CD2 3.72Å; V75-F80 HydrophobicContact CG1-CE2 3.57Å; V75-F80 PolarHBondContact O-N 2.86Å; F80-I82 HydrophobicContact CB-CD1 3.87Å; F80-I82 HydrophobicContact CB-CG1 4.01Å
81	G	95.4	Very high	95.5	Very high	7 Å²	7	31 Å²	31	7%	0.072	14%	0.142	C	C	.	.			trans	62.3	47.7	-175.2	0	0	0	0	0	113.1	A76 H342 N344 I345	A76-G81 WeakPolarHBondContact O-CA 3.23Å; A76-G81 PolarHBondContact O-N 2.82Å; G81-H342 VanDerWaalsContact CA-CB 3.41Å; G81-N344 WeakPolarHBondContact O-CB 3.36Å; G81-I345 WeakPolarHBondContact O-CG2 3.12Å
82	I	95	Very high	95.5	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.041	14%	0.137	C	C	.	.			trans	-117.8	128.2	179.5	-60	171.9	0	0	0	109.2	V46 V59 A76 F80 T84	V46-I82 HydrophobicContact CG2-CD1 3.43Å; V46-I82 VanDerWaalsContact CG2-CD1 3.43Å; V59-I82 HydrophobicContact CB-CG2 4.41Å; V59-I82 HydrophobicContact CG2-CG2 3.66Å; A76-I82 PolarHBondContact O-N 2.84Å; F80-I82 HydrophobicContact CB-CD1 3.87Å; F80-I82 HydrophobicContact CB-CG1 4.01Å; I82-T84 PolarHBondContact O-N 3.27Å
83	M	95.5	Very high	95.5	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.049	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.4	175.6	-69.7	-59	-62.4	0	0	110.8	R57 L58 V59 K114 I345 T348	R57-M83 WeakPolarHBondContact O-CB 3.39Å; L58-M83 CarbonylContact C-O 3.51Å; L58-M83 WeakPolarHBondContact CA-O 3.36Å; L58-M83 HydrophobicContact CD1-CB 4.18Å; V59-M83 PolarHBondContact N-O 2.79Å; M83-K114 HydrophobicContact CE-CB 3.28Å; M83-K114 HydrophobicContact CE-CD 3.52Å; M83-K114 HydrophobicContact CE-CG 3.22Å; M83-I345 HydrophobicContact CG-CG2 4.15Å; M83-I345 HydrophobicContact SD-CB 4.33Å; M83-I345 HydrophobicContact SD-CG2 3.93Å; M83-T348 PolarHBondContact SD-OG1 3.01Å; M83-T348 VanDerWaalsContact SD-OG1 3.42Å
84	T	96.1	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.4	178.5	47.5	0	0	0	0	112.4	V59 V61 K73 A76 I82 K114	V59-T84 HydrophobicContact CB-CG2 4.23Å; V59-T84 CarbonylContact O-C 3.38Å; V59-T84 VanDerWaalsContact O-CA 3.27Å; V59-T84 WeakPolarHBondContact O-CA 3.47Å; V61-T84 HydrophobicContact CG2-CG2 4Å; K73-T84 PolarHBondContact NZ-O 2.88Å; K73-T84 PolarHBondContact NZ-OG1 3.03Å; A76-T84 HydrophobicContact CB-CG2 3.43Å; A76-T84 VanDerWaalsContact CB-CG2 3.43Å; I82-T84 PolarHBondContact O-N 3.27Å; T84-K114 PolarHBondContact O-NZ 2.87Å
85	Q	95	Very high	95.5	Very high	9 Å²	9	33.4 Å²	33.4	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	98.3	168.9	-177.1	52.2	59.8	0	0	110.2	L58 V59 F60 V61 L107 I111	L58-Q85 HydrophobicContact CD1-CB 4.18Å; V59-Q85 PolarHBondContact O-N 2.9Å; F60-Q85 WeakPolarHBondContact CA-O 3.36Å; F60-Q85 HydrophobicContact CD1-CB 4.22Å; F60-Q85 HydrophobicContact CD1-CG 4.21Å; F60-Q85 HydrophobicContact CE1-CB 4.27Å; F60-Q85 HydrophobicContact CE1-CG 4.03Å; V61-Q85 PolarHBondContact N-O 3.02Å; Q85-L107 HydrophobicContact CG-CD1 3.49Å; Q85-L107 VanDerWaalsContact CG-CD1 3.49Å; Q85-L107 HydrophobicContact CG-CG 4.31Å; Q85-L107 VanDerWaalsContact NE2-CD1 3.32Å; Q85-I111 HydrophobicContact CG-CD1 4.47Å; Q85-I111 HydrophobicContact CG-CG1 4.15Å
86	C	95.4	Very high	95.4	Very high	16 Å²	16	33.8 Å²	33.8	11%	0.108	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.8	177.6	-51.4	0	0	0	0	111.1	V61 L63 Y69	V61-C86 CarbonylContact O-C 3.58Å; V61-C86 VanDerWaalsContact O-CA 3.22Å; V61-C86 WeakPolarHBondContact O-CA 3.36Å; L63-C86 HydrophobicContact CD1-CB 3.75Å; L63-C86 HydrophobicContact CG-CB 4.13Å; Y69-C86 HydrophobicContact CD2-CB 4.15Å; Y69-C86 HydrophobicContact CE2-CB 4.22Å
87	F	95.1	Very high	95.3	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.044	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.4	172.3	64.3	-85.5	0	0	0	110.1	F7 F60 V61 S62 L63 V91 L92	F7-F87 HydrophobicContact CD1-CE1 4.37Å; F7-F87 HydrophobicContact CD1-CE2 4.4Å; F7-F87 HydrophobicContact CD1-CZ 4.09Å; F7-F87 AromaticContact CE1-CD1 3.87Å; F7-F87 HydrophobicContact CE1-CD1 3.87Å; F7-F87 HydrophobicContact CE1-CD2 4.28Å; F7-F87 AromaticContact CE1-CE1 3.69Å; F7-F87 HydrophobicContact CE1-CE1 3.69Å; F7-F87 HydrophobicContact CE1-CE2 4.11Å; F7-F87 HydrophobicContact CE1-CG 4.16Å; F7-F87 AromaticContact CE1-CZ 3.8Å; F7-F87 HydrophobicContact CE1-CZ 3.8Å; F7-F87 HydrophobicContact CE2-CD2 4.46Å; F7-F87 HydrophobicContact CZ-CB 4.43Å; F7-F87 AromaticContact CZ-CD1 3.98Å; F7-F87 HydrophobicContact CZ-CD1 3.98Å; F7-F87 HydrophobicContact CZ-CD2 4.02Å; F7-F87 HydrophobicContact CZ-CE1 4.24Å; F7-F87 HydrophobicContact CZ-CE2 4.27Å; F7-F87 AromaticContact CZ-CG 3.86Å; F7-F87 HydrophobicContact CZ-CG 3.86Å; F7-F87 HydrophobicContact CZ-CZ 4.36Å; F60-F87 HydrophobicContact CB-CE1 4.09Å; F60-F87 HydrophobicContact CD1-CD1 4.38Å; F60-F87 HydrophobicContact CD1-CE1 4.35Å; V61-F87 PolarHBondContact O-N 3.29Å; S62-F87 WeakPolarHBondContact CA-O 3.48Å; L63-F87 PolarHBondContact N-O 3.21Å; F87-V91 HydrophobicContact CB-CB 4.14Å; F87-V91 HydrophobicContact CB-CG1 4.11Å; F87-L92 HydrophobicContact CD2-CB 4.24Å; F87-L92 HydrophobicContact CE2-CB 4.06Å; F87-L92 HydrophobicContact CE2-CD1 4.07Å
88	M	94.6	Very high	95.3	Very high	45 Å²	45	43.7 Å²	43.7	22%	0.222	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	163.1	176.5	-63.3	-65	-64.2	0	0	110	L63 S64 T66 R90 V91 L92	L63-M88 HydrophobicContact CB-SD 3.66Å; L63-M88 HydrophobicContact CD1-SD 4.49Å; S64-M88 WeakPolarHBondContact O-CE 3.16Å; T66-M88 HydrophobicContact CG2-CE 4.24Å; T66-M88 HydrophobicContact CG2-SD 4.34Å; M88-R90 HydrophobicContact CB-CG 4.05Å; M88-R90 PolarHBondContact O-N 2.88Å; M88-R90 VanDerWaalsContact O-N 3.1Å; M88-V91 WeakPolarHBondContact O-CB 3.09Å; M88-V91 PolarHBondContact O-N 3.43Å; M88-L92 PolarHBondContact O-N 3.34Å
89	Q	92.9	Very high	95.2	Very high	104 Å²	104	51.2 Å²	51.2	49%	0.486	23%	0.232	S	C	.	.	H	α-helix	trans	-54.3	-33.4	176.9	-166.5	63.7	2.6	0	0	113.9	V91 L92 H93	Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 PolarHBondContact O-N 3.02Å; Q89-L92 WeakPolarHBondContact O-CB 3.36Å; Q89-L92 PolarHBondContact O-N 3.3Å; Q89-H93 PolarHBondContact O-N 3.34Å
90	R	95	Very high	95.2	Very high	184 Å²	184	48.6 Å²	48.6	69%	0.694	23%	0.225	S	C	*	.	H	α-helix	trans	-58.8	-37.1	173.4	71.2	-178.6	179.3	172.4	-3	113.2	M88 H93 D94	M88-R90 HydrophobicContact CB-CG 4.05Å; M88-R90 PolarHBondContact O-N 2.88Å; M88-R90 VanDerWaalsContact O-N 3.1Å; R90-H93 PolarHBondContact O-N 2.82Å; R90-D94 WeakPolarHBondContact O-CB 3.5Å; R90-D94 PolarHBondContact O-N 3.24Å
91	V	96	Very high	95.1	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.17	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-39.9	-179.2	177.3	0	0	0	0	109.7	F7 F87 M88 Q89 H93 D94 V95 T103	F7-V91 HydrophobicContact CE2-CG1 4.31Å; F87-V91 HydrophobicContact CB-CB 4.14Å; F87-V91 HydrophobicContact CB-CG1 4.11Å; M88-V91 WeakPolarHBondContact O-CB 3.09Å; M88-V91 PolarHBondContact O-N 3.43Å; Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 PolarHBondContact O-N 3.02Å; V91-H93 VanDerWaalsContact C-N 3.33Å; V91-D94 PolarHBondContact O-N 2.99Å; V91-V95 HydrophobicContact CG1-CG2 4.44Å; V91-V95 WeakPolarHBondContact O-CB 3.27Å; V91-V95 WeakPolarHBondContact O-CG2 3.32Å; V91-V95 PolarHBondContact O-N 2.98Å; V91-T103 HydrophobicContact CG1-CG2 3.91Å
92	L	94.9	Very high	95	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-49	171.6	179.7	155.9	0	0	0	110.2	Q3 V4 F7 F87 M88 Q89 D94 V95 V96	Q3-L92 HydrophobicContact CB-CD2 3.97Å; V4-L92 HydrophobicContact CG2-CD1 3.96Å; F7-L92 HydrophobicContact CD2-CB 4.45Å; F87-L92 HydrophobicContact CD2-CB 4.24Å; F87-L92 HydrophobicContact CE2-CB 4.06Å; F87-L92 HydrophobicContact CE2-CD1 4.07Å; M88-L92 PolarHBondContact O-N 3.34Å; Q89-L92 WeakPolarHBondContact O-CB 3.36Å; Q89-L92 PolarHBondContact O-N 3.3Å; L92-D94 PolarHBondContact O-N 2.85Å; L92-V95 PolarHBondContact O-N 2.75Å; L92-V96 HydrophobicContact CG-CG2 4.46Å; L92-V96 VanDerWaalsContact O-CB 3.31Å; L92-V96 WeakPolarHBondContact O-CB 3.36Å; L92-V96 WeakPolarHBondContact O-CG2 3.35Å; L92-V96 PolarHBondContact O-N 2.75Å
93	H	95.6	Very high	95	Very high	78 Å²	78	58.6 Å²	58.6	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-59.3	-45.1	175.7	179.6	-77.9	0	0	0	112.3	Q89 R90 V91 V95 V97 K98	Q89-H93 PolarHBondContact O-N 3.34Å; R90-H93 PolarHBondContact O-N 2.82Å; V91-H93 VanDerWaalsContact C-N 3.33Å; H93-V95 PolarHBondContact O-N 2.88Å; H93-V97 WeakPolarHBondContact O-CA 3.47Å; H93-V97 VanDerWaalsContact O-CB 3.27Å; H93-V97 WeakPolarHBondContact O-CB 3.5Å; H93-V97 PolarHBondContact O-N 2.75Å; H93-K98 PolarHBondContact O-N 3.33Å
94	D	96.9	Very high	94.9	Very high	34 Å²	34	58.3 Å²	58.3	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-38.8	-179.5	-72.3	-21.1	0	0	0	112.3	R90 V91 L92 K98 R99 S100 T103	R90-D94 WeakPolarHBondContact O-CB 3.5Å; R90-D94 PolarHBondContact O-N 3.24Å; V91-D94 PolarHBondContact O-N 2.99Å; L92-D94 PolarHBondContact O-N 2.85Å; D94-K98 CarbonylContact O-C 3.53Å; D94-K98 WeakPolarHBondContact O-CB 3.24Å; D94-K98 VanDerWaalsContact OD1-CD 3.31Å; D94-K98 WeakPolarHBondContact OD1-CD 3.49Å; D94-K98 WeakPolarHBondContact OD1-CE 3.41Å; D94-K98 IonicContact OD1-NZ 3.94Å; D94-K98 PolarHBondContact OD1-NZ 2.88Å; D94-R99 PolarHBondContact O-N 2.67Å; D94-R99 VanDerWaalsContact O-N 3.13Å; D94-S100 VanDerWaalsContact O-CB 3.25Å; D94-S100 WeakPolarHBondContact O-CB 3.36Å; D94-S100 PolarHBondContact O-N 2.71Å; D94-T103 HydrophobicContact CB-CG2 4.24Å
95	V	95.6	Very high	94.9	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-78.5	-40.7	-179.5	171.7	0	0	0	0	112.4	F7 N10 V11 V91 L92 H93 R99 T103 A104	F7-V95 HydrophobicContact CD2-CB 3.8Å; F7-V95 HydrophobicContact CD2-CG1 3.79Å; F7-V95 HydrophobicContact CD2-CG2 4.33Å; F7-V95 HydrophobicContact CE2-CB 3.95Å; F7-V95 HydrophobicContact CE2-CG1 4.14Å; F7-V95 HydrophobicContact CE2-CG2 3.96Å; N10-V95 HydrophobicContact CB-CG1 3.9Å; V11-V95 HydrophobicContact CG2-CG1 4.24Å; V91-V95 HydrophobicContact CG1-CG2 4.44Å; V91-V95 WeakPolarHBondContact O-CB 3.27Å; V91-V95 WeakPolarHBondContact O-CG2 3.32Å; V91-V95 PolarHBondContact O-N 2.98Å; L92-V95 PolarHBondContact O-N 2.75Å; H93-V95 PolarHBondContact O-N 2.88Å; V95-R99 WeakPolarHBondContact O-CA 3.22Å; V95-T103 HydrophobicContact CG2-CG2 3.94Å; V95-A104 HydrophobicContact CG1-CB 4.42Å; V95-A104 HydrophobicContact CG2-CB 4.23Å
96	V	95.4	Very high	94.9	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-87.9	-52.8	-174.6	177.1	0	0	0	0	111.4	Q3 E6 F7 L92	Q3-V96 HydrophobicContact CB-CG1 4.48Å; E6-V96 HydrophobicContact CB-CG1 4.35Å; E6-V96 HydrophobicContact CG-CG1 4.15Å; E6-V96 WeakPolarHBondContact OE2-CG1 3.39Å; F7-V96 HydrophobicContact CB-CG2 3.64Å; F7-V96 HydrophobicContact CD2-CG2 4.37Å; L92-V96 HydrophobicContact CG-CG2 4.46Å; L92-V96 VanDerWaalsContact O-CB 3.31Å; L92-V96 WeakPolarHBondContact O-CB 3.36Å; L92-V96 WeakPolarHBondContact O-CG2 3.35Å; L92-V96 PolarHBondContact O-N 2.75Å
97	V	94.9	Very high	94.8	Very high	74 Å²	74	61.2 Å²	61.2	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-52.9	-172.8	-175	0	0	0	0	111	H93 R99	H93-V97 WeakPolarHBondContact O-CA 3.47Å; H93-V97 VanDerWaalsContact O-CB 3.27Å; H93-V97 WeakPolarHBondContact O-CB 3.5Å; H93-V97 PolarHBondContact O-N 2.75Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 PolarHBondContact O-N 3.14Å
98	K	95.8	Very high	94.8	Very high	135 Å²	135	60.8 Å²	60.8	59%	0.587	29%	0.294	S	S	*	.	S	Bend	trans	-79.8	-8.3	179.6	-57.9	-172.3	-171.7	148.8	0	113.7	H93 D94 S100	H93-K98 PolarHBondContact O-N 3.33Å; D94-K98 CarbonylContact O-C 3.53Å; D94-K98 WeakPolarHBondContact O-CB 3.24Å; D94-K98 VanDerWaalsContact OD1-CD 3.31Å; D94-K98 WeakPolarHBondContact OD1-CD 3.49Å; D94-K98 WeakPolarHBondContact OD1-CE 3.41Å; D94-K98 IonicContact OD1-NZ 3.94Å; D94-K98 PolarHBondContact OD1-NZ 2.88Å; K98-S100 PolarHBondContact O-N 2.73Å; K98-S100 VanDerWaalsContact O-N 3.15Å
99	R	94.2	Very high	94.8	Very high	188 Å²	188	60 Å²	60	71%	0.709	29%	0.29	S	S	*	.			trans	49.2	40.1	-176.8	-60.3	-178.4	174.7	-179.2	-1.8	112.8	D94 V95 V97 V101	D94-R99 PolarHBondContact O-N 2.67Å; D94-R99 VanDerWaalsContact O-N 3.13Å; V95-R99 WeakPolarHBondContact O-CA 3.22Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 PolarHBondContact O-N 3.14Å; R99-V101 PolarHBondContact O-N 3.08Å
100	S	95.3	Very high	94.9	Very high	36 Å²	36	57.9 Å²	57.9	25%	0.252	28%	0.28	S	S	.	.			trans	-69.5	96.1	-177.8	-177.4	0	0	0	0	110.6	D94 K98 M102 T103 A104	D94-S100 VanDerWaalsContact O-CB 3.25Å; D94-S100 WeakPolarHBondContact O-CB 3.36Å; D94-S100 PolarHBondContact O-N 2.71Å; K98-S100 PolarHBondContact O-N 2.73Å; K98-S100 VanDerWaalsContact O-N 3.15Å; S100-M102 VanDerWaalsContact C-N 3.26Å; S100-M102 PolarHBondContact O-N 3.23Å; S100-T103 PolarHBondContact O-N 2.67Å; S100-T103 VanDerWaalsContact O-N 3.14Å; S100-T103 PolarHBondContact OG-N 3.09Å; S100-T103 PolarHBondContact OG-OG1 2.7Å; S100-A104 PolarHBondContact O-N 2.96Å; S100-A104 VanDerWaalsContact O-N 3.14Å
101	V	92.2	Very high	94.9	Very high	102 Å²	102	49.3 Å²	49.3	62%	0.618	25%	0.248	S	C	*	.	H	α-helix	trans	-54.9	-45.2	175.5	179.8	0	0	0	0	110.4	R99 T103 A104 T105	R99-V101 PolarHBondContact O-N 3.08Å; V101-T103 VanDerWaalsContact C-N 3.29Å; V101-T103 PolarHBondContact O-N 2.84Å; V101-A104 PolarHBondContact O-N 3.22Å; V101-A104 VanDerWaalsContact O-N 3.15Å; V101-T105 WeakPolarHBondContact O-CB 3.45Å; V101-T105 PolarHBondContact O-N 3.28Å; V101-T105 PolarHBondContact O-OG1 3.07Å
102	M	93.3	Very high	94.8	Very high	128 Å²	128	52 Å²	52	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-57.4	-40.2	179.2	-176	59.2	63.5	0	0	112.9	S100 N106	S100-M102 VanDerWaalsContact C-N 3.26Å; S100-M102 PolarHBondContact O-N 3.23Å; M102-N106 WeakPolarHBondContact O-CB 2.98Å; M102-N106 VanDerWaalsContact O-CG 3.25Å; M102-N106 PolarHBondContact O-N 2.9Å; M102-N106 PolarHBondContact O-ND2 3.21Å; M102-N106 VanDerWaalsContact O-ND2 3.09Å
103	T	95.3	Very high	94.7	Very high	35 Å²	35	52.6 Å²	52.6	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-68.3	-43.7	178.4	-58	0	0	0	0	111	V91 D94 V95 S100 V101 N106 L107	V91-T103 HydrophobicContact CG1-CG2 3.91Å; D94-T103 HydrophobicContact CB-CG2 4.24Å; V95-T103 HydrophobicContact CG2-CG2 3.94Å; S100-T103 PolarHBondContact O-N 2.67Å; S100-T103 VanDerWaalsContact O-N 3.14Å; S100-T103 PolarHBondContact OG-N 3.09Å; S100-T103 PolarHBondContact OG-OG1 2.7Å; V101-T103 VanDerWaalsContact C-N 3.29Å; V101-T103 PolarHBondContact O-N 2.84Å; T103-N106 PolarHBondContact O-N 2.85Å; T103-L107 PolarHBondContact O-N 3.3Å
104	A	94.5	Very high	94.6	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-42.5	175.7	0	0	0	0	0	112.1	V14 V95 S100 V101 L107 A108	V14-A104 HydrophobicContact CB-CB 4.33Å; V14-A104 HydrophobicContact CG1-CB 4.43Å; V14-A104 HydrophobicContact CG2-CB 3.87Å; V95-A104 HydrophobicContact CG1-CB 4.42Å; V95-A104 HydrophobicContact CG2-CB 4.23Å; S100-A104 PolarHBondContact O-N 2.96Å; S100-A104 VanDerWaalsContact O-N 3.14Å; V101-A104 PolarHBondContact O-N 3.22Å; V101-A104 VanDerWaalsContact O-N 3.15Å; A104-L107 WeakPolarHBondContact O-CB 3.44Å; A104-L107 PolarHBondContact O-N 2.87Å; A104-A108 PolarHBondContact O-N 2.91Å
105	T	95.1	Very high	94.2	Very high	22 Å²	22	52 Å²	52	14%	0.135	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-48.7	175.3	-60.5	0	0	0	0	111	L18 V101 L107 A108 L109 M287	L18-T105 HydrophobicContact CD1-CG2 4.17Å; V101-T105 WeakPolarHBondContact O-CB 3.45Å; V101-T105 PolarHBondContact O-N 3.28Å; V101-T105 PolarHBondContact O-OG1 3.07Å; T105-L107 PolarHBondContact O-N 3.37Å; T105-A108 WeakPolarHBondContact O-CB 3.44Å; T105-A108 PolarHBondContact O-N 3.42Å; T105-A108 VanDerWaalsContact O-N 3.14Å; T105-L109 HydrophobicContact CG2-CD1 4.43Å; T105-L109 HydrophobicContact CG2-CG 4.45Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 2.87Å; T105-M287 HydrophobicContact CG2-CE 4.02Å
106	N	94.2	Very high	93.8	Very high	54 Å²	54	53.1 Å²	53.1	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-30.3	177.3	-74.1	-34.2	0	0	0	112.8	M102 T103 K110	M102-N106 WeakPolarHBondContact O-CB 2.98Å; M102-N106 VanDerWaalsContact O-CG 3.25Å; M102-N106 PolarHBondContact O-N 2.9Å; M102-N106 PolarHBondContact O-ND2 3.21Å; M102-N106 VanDerWaalsContact O-ND2 3.09Å; T103-N106 PolarHBondContact O-N 2.85Å; N106-K110 WeakPolarHBondContact O-CG 2.85Å; N106-K110 PolarHBondContact O-N 3.02Å
107	L	94.8	Very high	93.4	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-70.5	-46.3	173	-170.4	62.5	0	0	0	111.3	F7 V11 F60 Q85 T103 A104 T105 L109 K110 I111	F7-L107 HydrophobicContact CE1-CD2 4.46Å; F7-L107 HydrophobicContact CE2-CD2 4.25Å; F7-L107 HydrophobicContact CZ-CD2 3.61Å; V11-L107 HydrophobicContact CG1-CD2 4Å; V11-L107 HydrophobicContact CG1-CG 4.42Å; V11-L107 HydrophobicContact CG2-CD2 3.68Å; F60-L107 HydrophobicContact CE1-CD2 4.33Å; Q85-L107 HydrophobicContact CG-CD1 3.49Å; Q85-L107 VanDerWaalsContact CG-CD1 3.49Å; Q85-L107 HydrophobicContact CG-CG 4.31Å; Q85-L107 VanDerWaalsContact NE2-CD1 3.32Å; T103-L107 PolarHBondContact O-N 3.3Å; A104-L107 WeakPolarHBondContact O-CB 3.44Å; A104-L107 PolarHBondContact O-N 2.87Å; T105-L107 PolarHBondContact O-N 3.37Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 2.94Å; L107-K110 WeakPolarHBondContact O-CB 3.35Å; L107-K110 PolarHBondContact O-N 3.45Å; L107-I111 HydrophobicContact CG-CD1 4.08Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.49Å
108	A	94.7	Very high	93.2	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-41.6	175.9	0	0	0	0	0	112.2	V14 C15 L18 A104 T105 K110 I111 N112	V14-A108 HydrophobicContact CG1-CB 4.1Å; C15-A108 VanDerWaalsContact SG-CB 3.53Å; L18-A108 HydrophobicContact CD1-CB 3.77Å; A104-A108 PolarHBondContact O-N 2.91Å; T105-A108 WeakPolarHBondContact O-CB 3.44Å; T105-A108 PolarHBondContact O-N 3.42Å; T105-A108 VanDerWaalsContact O-N 3.14Å; A108-K110 PolarHBondContact O-N 3.32Å; A108-I111 PolarHBondContact O-N 2.99Å; A108-N112 PolarHBondContact O-N 3.22Å
109	L	94.8	Very high	93	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-45	174.8	-72.4	179.9	0	0	0	112.3	T105 L107 N112 M113 G284 M287	T105-L109 HydrophobicContact CG2-CD1 4.43Å; T105-L109 HydrophobicContact CG2-CG 4.45Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 2.87Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 2.94Å; L109-N112 PolarHBondContact O-N 3.5Å; L109-M113 WeakPolarHBondContact O-CG 3.29Å; L109-M113 PolarHBondContact O-N 3.32Å; L109-G284 WeakPolarHBondContact CB-O 3.08Å; L109-M287 HydrophobicContact CD1-CE 4.2Å; L109-M287 HydrophobicContact CD1-CG 4.01Å; L109-M287 HydrophobicContact CD2-CE 3.95Å; L109-M287 HydrophobicContact CG-CE 4.45Å
110	K	94.6	Very high	92.9	Very high	60 Å²	60	48.3 Å²	48.3	26%	0.261	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.1	-71.4	175.3	-177.2	175.5	0	112.1	N106 L107 A108 N112 M113 K114 R285 V352	N106-K110 WeakPolarHBondContact O-CG 2.85Å; N106-K110 PolarHBondContact O-N 3.02Å; L107-K110 WeakPolarHBondContact O-CB 3.35Å; L107-K110 PolarHBondContact O-N 3.45Å; A108-K110 PolarHBondContact O-N 3.32Å; K110-N112 VanDerWaalsContact C-N 3.35Å; K110-M113 PolarHBondContact O-N 2.96Å; K110-K114 WeakPolarHBondContact O-CB 3.38Å; K110-K114 VanDerWaalsContact O-CG 3.25Å; K110-K114 WeakPolarHBondContact O-CG 3.48Å; K110-K114 PolarHBondContact O-N 3.33Å; K110-R285 HydrophobicContact CG-CG 4.29Å; K110-V352 HydrophobicContact CB-CG1 4.49Å; K110-V352 HydrophobicContact CG-CG1 4.44Å
111	I	94.3	Very high	92.6	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-47.6	177	-68.1	159.3	0	0	0	109.7	V11 L58 F60 Q85 L107 A108 M113 K114 M115	V11-I111 HydrophobicContact CG1-CD1 3.87Å; L58-I111 HydrophobicContact CD2-CG1 4.4Å; L58-I111 HydrophobicContact CD2-CG2 3.76Å; F60-I111 HydrophobicContact CE1-CD1 3.92Å; F60-I111 HydrophobicContact CZ-CD1 3.51Å; F60-I111 HydrophobicContact CZ-CG1 4.36Å; Q85-I111 HydrophobicContact CG-CD1 4.47Å; Q85-I111 HydrophobicContact CG-CG1 4.15Å; L107-I111 HydrophobicContact CG-CD1 4.08Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.49Å; A108-I111 PolarHBondContact O-N 2.99Å; I111-M113 PolarHBondContact O-N 3.03Å; I111-K114 WeakPolarHBondContact O-CB 3.5Å; I111-K114 PolarHBondContact O-N 3.41Å; I111-M115 WeakPolarHBondContact O-CG 3.34Å; I111-M115 PolarHBondContact O-N 2.89Å
112	N	93.6	Very high	92.6	Very high	84 Å²	84	44.8 Å²	44.8	45%	0.449	24%	0.238	S	C	.	.	H	α-helix	trans	-58.2	-48.9	178.3	-170.5	49.9	0	0	0	112.1	V20 A108 L109 K110 K114 M115 G116	V20-N112 HydrophobicContact CG2-CB 3.8Å; A108-N112 PolarHBondContact O-N 3.22Å; L109-N112 PolarHBondContact O-N 3.5Å; K110-N112 VanDerWaalsContact C-N 3.35Å; N112-K114 VanDerWaalsContact C-N 3.29Å; N112-K114 PolarHBondContact O-N 3.15Å; N112-M115 PolarHBondContact O-N 2.76Å; N112-M115 VanDerWaalsContact O-N 3.09Å; N112-G116 PolarHBondContact O-N 3.36Å
113	M	93.4	Very high	92.3	Very high	16 Å²	16	43.1 Å²	43.1	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-43.5	177.2	-75.7	-170.6	81.9	0	0	112.6	L109 K110 I111 M115 G116 G284 R285 F298 M349 V352	L109-M113 WeakPolarHBondContact O-CG 3.29Å; L109-M113 PolarHBondContact O-N 3.32Å; K110-M113 PolarHBondContact O-N 2.96Å; I111-M113 PolarHBondContact O-N 3.03Å; M113-M115 PolarHBondContact O-N 2.79Å; M113-G116 WeakPolarHBondContact O-CA 2.9Å; M113-G116 PolarHBondContact O-N 2.67Å; M113-G284 WeakPolarHBondContact SD-CA 3.26Å; M113-R285 HydrophobicContact SD-CB 4.32Å; M113-R285 HydrophobicContact SD-CG 3.6Å; M113-R285 VanDerWaalsContact SD-CG 3.6Å; M113-R285 PolarHBondContact SD-N 2.83Å; M113-F298 HydrophobicContact CE-CE1 3.51Å; M113-F298 HydrophobicContact CE-CZ 3.57Å; M113-M349 HydrophobicContact CB-SD 4.23Å; M113-M349 HydrophobicContact CE-CE 3.51Å; M113-M349 HydrophobicContact CE-SD 3.85Å; M113-M349 VanDerWaalsContact O-CB 3.29Å; M113-M349 WeakPolarHBondContact O-CB 3.18Å; M113-M349 WeakPolarHBondContact O-CG 3.36Å; M113-V352 HydrophobicContact CB-CG1 3.89Å; M113-V352 HydrophobicContact CB-CG2 4.49Å; M113-V352 HydrophobicContact CE-CG1 4.27Å; M113-V352 HydrophobicContact CE-CG2 3.8Å; M113-V352 HydrophobicContact CG-CG1 4.48Å; M113-V352 HydrophobicContact SD-CG1 3.71Å; M113-V352 HydrophobicContact SD-CG2 4.34Å
114	K	93.6	Very high	91.8	Very high	5 Å²	5	43 Å²	43	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-30.3	178.4	-83.2	179.8	176.4	173.4	0	113.7	M83 T84 K110 I111 N112 G116 V352	M83-K114 HydrophobicContact CE-CB 3.28Å; M83-K114 HydrophobicContact CE-CD 3.52Å; M83-K114 HydrophobicContact CE-CG 3.22Å; T84-K114 PolarHBondContact O-NZ 2.87Å; K110-K114 WeakPolarHBondContact O-CB 3.38Å; K110-K114 VanDerWaalsContact O-CG 3.25Å; K110-K114 WeakPolarHBondContact O-CG 3.48Å; K110-K114 PolarHBondContact O-N 3.33Å; I111-K114 WeakPolarHBondContact O-CB 3.5Å; I111-K114 PolarHBondContact O-N 3.41Å; N112-K114 VanDerWaalsContact C-N 3.29Å; N112-K114 PolarHBondContact O-N 3.15Å; K114-G116 VanDerWaalsContact C-N 3.33Å; K114-V352 WeakPolarHBondContact CE-OXT 3.38Å; K114-V352 HydrophobicContact CG-CB 4.45Å
115	M	88.4	Confident	91.2	Very high	93 Å²	93	46.5 Å²	46.5	46%	0.458	24%	0.239	S	C	.	.	H	α-helix	trans	-85.3	-8.4	176.8	-56	-55.2	-81.5	0	0	112.7	R57 I111 N112 M113	R57-M115 HydrophobicContact CB-CE 4.08Å; I111-M115 WeakPolarHBondContact O-CG 3.34Å; I111-M115 PolarHBondContact O-N 2.89Å; N112-M115 PolarHBondContact O-N 2.76Å; N112-M115 VanDerWaalsContact O-N 3.09Å; M113-M115 PolarHBondContact O-N 2.79Å
116	G	87.7	Confident	90.3	Very high	29 Å²	29	48.5 Å²	48.5	30%	0.299	25%	0.253	S	S	.	.	S	Bend	trans	-82.9	158.2	175.8	0	0	0	0	0	113.4	N112 M113 K114 M349	N112-G116 PolarHBondContact O-N 3.36Å; M113-G116 WeakPolarHBondContact O-CA 2.9Å; M113-G116 PolarHBondContact O-N 2.67Å; K114-G116 VanDerWaalsContact C-N 3.33Å; G116-M349 PolarHBondContact O-N 3.25Å
117	E	86.8	Confident	89.3	Confident	161 Å²	161	52.3 Å²	52.3	75%	0.752	27%	0.273	S	S	*	.	B	Isolated β-bridge	trans	-88.8	105.7	174.4	-64.7	-175.2	173	0	0	110.2
118	Y	91.1	Very high	87.9	Confident	92 Å²	92	63 Å²	63	36%	0.361	31%	0.312	S	S	.	.			trans	-154.6	106.7	165.2	-171.6	-72.7	0	0	0	108.1	P295 F298 S347 T348 M349 F351	Y118-P295 WeakPolarHBondContact OH-CB 3.28Å; Y118-F298 HydrophobicContact CD1-CD2 4.18Å; Y118-F298 HydrophobicContact CE1-CB 4.12Å; Y118-F298 AromaticContact CE1-CD2 3.71Å; Y118-F298 HydrophobicContact CE1-CD2 3.71Å; Y118-F298 HydrophobicContact CE1-CG 4.32Å; Y118-F298 HydrophobicContact CE2-CD2 4.14Å; Y118-F298 HydrophobicContact CE2-CE2 4.38Å; Y118-F298 AromaticContact CZ-CD2 3.69Å; Y118-S347 PolarHBondContact N-O 3.02Å; Y118-T348 CarbonylContact O-C 3.6Å; Y118-M349 HydrophobicContact CD1-CE 4.22Å; Y118-M349 HydrophobicContact CG-CE 4.05Å; Y118-F351 AromaticContact CD1-CZ 3.96Å; Y118-F351 HydrophobicContact CD1-CZ 3.96Å
119	S	90.3	Very high	86.6	Confident	29 Å²	29	69.3 Å²	69.3	20%	0.203	34%	0.336	C	S	.	.			trans	-93.6	137.5	-167.2	-40.9	0	0	0	0	111.1	R142 S347	S119-R142 PolarHBondContact O-NH1 3.45Å; S119-S347 VanDerWaalsContact OG-CA 3.27Å; S119-S347 WeakPolarHBondContact OG-CA 3.25Å; S119-S347 PolarHBondContact OG-O 3.49Å
120	A	92	Very high	84.9	Confident	21 Å²	21	72.2 Å²	72.2	17%	0.174	35%	0.349	C	S	.	.			trans	-102.1	159.3	169.7	0	0	0	0	0	111.7	R142 A302 F351	A120-R142 PolarHBondContact O-NH1 3.02Å; A120-A302 HydrophobicContact CB-CB 3.69Å; A120-F351 HydrophobicContact CB-CD1 3.79Å; A120-F351 HydrophobicContact CB-CE1 3.58Å; A120-F351 HydrophobicContact CB-CZ 4.43Å
121	S	90.7	Very high	83.5	Confident	38 Å²	38	69.6 Å²	69.6	27%	0.266	34%	0.338	S	S	.	.			trans	-128	120.8	-177.3	-109.8	0	0	0	0	107.2	E138	S121-E138 WeakPolarHBondContact CB-OE2 3.41Å; S121-E138 PolarHBondContact OG-OE2 2.84Å
122	I	90.5	Very high	82.4	Confident	27 Å²	27	72.5 Å²	72.5	14%	0.138	35%	0.353	C	S	.	.			trans	-127.6	130.3	-175.2	-62.2	163	0	0	0	108.5	A302 V339 Y350	I122-A302 HydrophobicContact CD1-CB 4.3Å; I122-V339 HydrophobicContact CG2-CB 4.08Å; I122-V339 HydrophobicContact CG2-CG2 3.99Å; I122-Y350 WeakPolarHBondContact CD1-OH 3.27Å
123	R	87.9	Confident	81.5	Confident	92 Å²	92	71.3 Å²	71.3	35%	0.347	35%	0.346	S	S	.	.			trans	-133.4	144.4	175.7	-63.4	-62.8	-179	-97.3	-9.9	110.3	Y134 E138 E141	R123-Y134 HydrophobicContact CB-CD2 4.48Å; R123-E138 VanDerWaalsContact CG-CD 3.48Å; R123-E138 HydrophobicContact CG-CG 4.04Å; R123-E138 WeakPolarHBondContact CG-OE1 3.5Å; R123-E138 VanDerWaalsContact CZ-CD 3.45Å; R123-E138 IonicContact CZ-OE1 3.92Å; R123-E138 IonicContact CZ-OE2 3.93Å; R123-E138 VanDerWaalsContact CZ-OE2 3.32Å; R123-E138 IonicContact NE-OE1 2.65Å; R123-E138 PolarHBondContact NE-OE1 2.94Å; R123-E138 IonicContact NE-OE2 3.68Å; R123-E138 IonicContact NH1-OE1 3.47Å; R123-E138 IonicContact NH1-OE2 2.75Å; R123-E138 IonicContact NH2-OE1 3.12Å; R123-E138 PolarHBondContact NH2-OE1 3.28Å; R123-E138 IonicContact NH2-OE2 3.12Å; R123-E138 PolarHBondContact NH2-OE2 3.31Å; R123-E141 IonicContact CZ-OE2 3.78Å; R123-E141 IonicContact NH2-OE2 3.77Å; R123-E141 PolarHBondContact NH2-OE2 3.44Å
124	V	85.4	Confident	80.8	Confident	33 Å²	33	75.3 Å²	75.3	20%	0.2	36%	0.362	C	S	.	.			trans	-82.8	129	176	-179.6	0	0	0	0	108.5	F335 V339	V124-F335 HydrophobicContact CG1-CB 3.9Å; V124-F335 HydrophobicContact CG2-CB 3.91Å; V124-V339 HydrophobicContact CG2-CG2 3.68Å
125	Q	82	Confident	80.5	Confident	78 Å²	78	75.9 Å²	75.9	36%	0.364	37%	0.365	S	S	.	.			trans	-122.2	157.7	179.4	54.9	172.6	71.6	0	0	110.8	W129 L133	Q125-W129 PolarHBondContact NE2-O 3.24Å; Q125-L133 HydrophobicContact CB-CD1 4.49Å
126	P	76.5	Confident	80.8	Confident	64 Å²	64	75 Å²	75	42%	0.416	36%	0.36	S	S	.	.			trans	-54.7	154.6	170.3	-23.7	34.5	0	0	0	112.2	L133	P126-L133 HydrophobicContact CG-CD1 3.94Å
127	N	72.8	Confident	81	Confident	134 Å²	134	78.6 Å²	78.6	72%	0.717	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	140.1	-177	-164.2	6.2	0	0	0	111.6	W129	N127-W129 VanDerWaalsContact C-N 3.26Å; N127-W129 PolarHBondContact O-N 3.18Å
128	R	64.4	Low	81.2	Confident	233 Å²	233	71.7 Å²	71.7	88%	0.879	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	27.1	176.1	-56.5	-175	179.5	-179	-0.6	116.4
129	W	68.4	Low	81.5	Confident	134 Å²	134	68.9 Å²	68.9	51%	0.508	33%	0.326	S	S	.	.			trans	-90.9	118.6	173.6	-147.8	-80.7	0	0	0	111	Q125 N127	Q125-W129 PolarHBondContact NE2-O 3.24Å; N127-W129 VanDerWaalsContact C-N 3.26Å; N127-W129 PolarHBondContact O-N 3.18Å
130	E	58.6	Low	81.7	Confident	90 Å²	90	69.3 Å²	69.3	42%	0.421	32%	0.323	S	S	.	.			trans	-77.6	-34.8	-179	-69.3	-148.1	173.4	0	0	113.8	I132 R161 E168	E130-I132 PolarHBondContact O-N 3.1Å; E130-R161 PolarHBondContact O-NH2 3.36Å; E130-R161 VanDerWaalsContact O-NH2 3.11Å; E130-E168 VanDerWaalsContact CD-OE1 3.23Å; E130-E168 VanDerWaalsContact OE2-OE1 3.1Å
131	S	65.3	Low	81.8	Confident	5 Å²	5	69.9 Å²	69.9	4%	0.035	32%	0.322	C	S	.	.	S	Bend	trans	-70.9	128.1	176.6	-55	0	0	0	0	110.8	L133 E175	S131-L133 PolarHBondContact O-N 3.15Å; S131-E175 WeakPolarHBondContact CB-OE2 3.33Å; S131-E175 PolarHBondContact OG-OE2 3.26Å
132	I	70.6	Confident	81.9	Confident	65 Å²	65	71.1 Å²	71.1	33%	0.333	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-74.1	119.5	-179.6	-54.3	164.5	0	0	0	108.2	E130 L135	E130-I132 PolarHBondContact O-N 3.1Å; I132-L135 HydrophobicContact CB-CD1 3.79Å; I132-L135 HydrophobicContact CB-CD2 3.68Å; I132-L135 HydrophobicContact CB-CG 3.55Å; I132-L135 HydrophobicContact CD1-CD2 4Å; I132-L135 HydrophobicContact CG1-CD2 4.45Å; I132-L135 HydrophobicContact CG2-CD1 4.42Å; I132-L135 HydrophobicContact CG2-CD2 3.48Å; I132-L135 VanDerWaalsContact CG2-CD2 3.48Å; I132-L135 HydrophobicContact CG2-CG 3.63Å; I132-L135 WeakPolarHBondContact O-CD1 3.42Å; I132-L135 WeakPolarHBondContact O-CG 3.39Å
133	L	75	Confident	82.2	Confident	58 Å²	58	70.3 Å²	70.3	30%	0.304	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	156.1	171.4	-65.2	175	0	0	0	110	Q125 P126 S131 L135	Q125-L133 HydrophobicContact CB-CD1 4.49Å; P126-L133 HydrophobicContact CG-CD1 3.94Å; S131-L133 PolarHBondContact O-N 3.15Å; L133-L135 PolarHBondContact O-N 3.02Å
134	Y	78.1	Confident	82.5	Confident	101 Å²	101	71.6 Å²	71.6	40%	0.396	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	16.2	176.8	-45.4	-71.9	0	0	0	115.2	R123 E136 E137 E138 K332	R123-Y134 HydrophobicContact CB-CD2 4.48Å; Y134-E136 PolarHBondContact O-N 2.67Å; Y134-E136 VanDerWaalsContact O-N 3.15Å; Y134-E137 PolarHBondContact O-N 3.24Å; Y134-E137 VanDerWaalsContact O-N 3.1Å; Y134-E138 PolarHBondContact O-N 2.91Å; Y134-K332 PolarHBondContact OH-NZ 2.87Å
135	L	88.8	Confident	82.9	Confident	17 Å²	17	72.2 Å²	72.2	9%	0.089	33%	0.33	C	S	.	.	H	α-helix	trans	-54.8	-35.6	-179.6	-85.4	178.1	0	0	0	114.3	I132 L133 E137 E138 F139 E176 A179	I132-L135 HydrophobicContact CB-CD1 3.79Å; I132-L135 HydrophobicContact CB-CD2 3.68Å; I132-L135 HydrophobicContact CB-CG 3.55Å; I132-L135 HydrophobicContact CD1-CD2 4Å; I132-L135 HydrophobicContact CG1-CD2 4.45Å; I132-L135 HydrophobicContact CG2-CD1 4.42Å; I132-L135 HydrophobicContact CG2-CD2 3.48Å; I132-L135 VanDerWaalsContact CG2-CD2 3.48Å; I132-L135 HydrophobicContact CG2-CG 3.63Å; I132-L135 WeakPolarHBondContact O-CD1 3.42Å; I132-L135 WeakPolarHBondContact O-CG 3.39Å; L133-L135 PolarHBondContact O-N 3.02Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.42Å; L135-E138 PolarHBondContact O-N 3.4Å; L135-F139 HydrophobicContact CB-CD2 4.05Å; L135-F139 HydrophobicContact CB-CE2 3.76Å; L135-F139 HydrophobicContact CD1-CE2 4.13Å; L135-F139 HydrophobicContact CD1-CZ 4.5Å; L135-F139 HydrophobicContact CD2-CE2 3.85Å; L135-F139 HydrophobicContact CD2-CZ 3.84Å; L135-F139 HydrophobicContact CG-CE2 4.13Å; L135-F139 WeakPolarHBondContact O-CB 3.01Å; L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 WeakPolarHBondContact O-CG 3.27Å; L135-F139 PolarHBondContact O-N 3.02Å; L135-E176 HydrophobicContact CD1-CB 3.77Å; L135-E176 HydrophobicContact CD1-CG 3.42Å; L135-E176 VanDerWaalsContact CD1-CG 3.42Å; L135-A179 HydrophobicContact CB-CB 3.64Å
136	E	93.3	Very high	83.5	Confident	75 Å²	75	72.4 Å²	72.4	35%	0.35	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-42.5	-179.8	-171.2	-177.4	134.1	0	0	111.5	Y134 R140 A179 A182 A183	Y134-E136 PolarHBondContact O-N 2.67Å; Y134-E136 VanDerWaalsContact O-N 3.15Å; E136-R140 VanDerWaalsContact O-CB 3.25Å; E136-R140 WeakPolarHBondContact O-CB 3.36Å; E136-R140 PolarHBondContact O-N 3.43Å; E136-R140 IonicContact OE1-CZ 2.71Å; E136-R140 IonicContact OE1-NH2 2.9Å; E136-R140 PolarHBondContact OE1-NH2 2.68Å; E136-A179 HydrophobicContact CB-CB 4.39Å; E136-A182 HydrophobicContact CG-CB 4.05Å; E136-A182 VanDerWaalsContact OE2-CB 3.26Å; E136-A182 WeakPolarHBondContact OE2-CB 3.4Å; E136-A183 HydrophobicContact CG-CB 3.98Å; E136-A183 VanDerWaalsContact O-CB 3.27Å; E136-A183 WeakPolarHBondContact O-CB 3.48Å
137	E	91.9	Very high	84.4	Confident	104 Å²	104	70.1 Å²	70.1	49%	0.486	32%	0.316	S	S	.	.	H	α-helix	trans	-68.2	-42.3	177.2	-67.9	178.5	173.1	0	0	111.4	Y134 L135 R140 E141	Y134-E137 PolarHBondContact O-N 3.24Å; Y134-E137 VanDerWaalsContact O-N 3.1Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.42Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.97Å; E137-E141 WeakPolarHBondContact O-CB 3.38Å; E137-E141 PolarHBondContact O-N 3.2Å
138	E	92.7	Very high	85.4	Confident	15 Å²	15	69.8 Å²	69.8	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-46.5	178.3	-59.8	-41.7	106.7	0	0	112	S121 R123 Y134 L135 R140 E141 R142	S121-E138 WeakPolarHBondContact CB-OE2 3.41Å; S121-E138 PolarHBondContact OG-OE2 2.84Å; R123-E138 VanDerWaalsContact CG-CD 3.48Å; R123-E138 HydrophobicContact CG-CG 4.04Å; R123-E138 WeakPolarHBondContact CG-OE1 3.5Å; R123-E138 VanDerWaalsContact CZ-CD 3.45Å; R123-E138 IonicContact CZ-OE1 3.92Å; R123-E138 IonicContact CZ-OE2 3.93Å; R123-E138 VanDerWaalsContact CZ-OE2 3.32Å; R123-E138 IonicContact NE-OE1 2.65Å; R123-E138 PolarHBondContact NE-OE1 2.94Å; R123-E138 IonicContact NE-OE2 3.68Å; R123-E138 IonicContact NH1-OE1 3.47Å; R123-E138 IonicContact NH1-OE2 2.75Å; R123-E138 IonicContact NH2-OE1 3.12Å; R123-E138 PolarHBondContact NH2-OE1 3.28Å; R123-E138 IonicContact NH2-OE2 3.12Å; R123-E138 PolarHBondContact NH2-OE2 3.31Å; Y134-E138 PolarHBondContact O-N 2.91Å; L135-E138 PolarHBondContact O-N 3.4Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 2.86Å; E138-E141 WeakPolarHBondContact O-CB 3.31Å; E138-E141 PolarHBondContact O-N 3.25Å; E138-R142 WeakPolarHBondContact O-CG 3.37Å; E138-R142 PolarHBondContact O-N 3.45Å
139	F	95.7	Very high	86.7	Confident	34 Å²	34	63 Å²	63	15%	0.149	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-42.5	176.3	-70	-48.3	0	0	0	111.2	L135 E141 R142 I143 L159 A179 L180 A183	L135-F139 HydrophobicContact CB-CD2 4.05Å; L135-F139 HydrophobicContact CB-CE2 3.76Å; L135-F139 HydrophobicContact CD1-CE2 4.13Å; L135-F139 HydrophobicContact CD1-CZ 4.5Å; L135-F139 HydrophobicContact CD2-CE2 3.85Å; L135-F139 HydrophobicContact CD2-CZ 3.84Å; L135-F139 HydrophobicContact CG-CE2 4.13Å; L135-F139 WeakPolarHBondContact O-CB 3.01Å; L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 WeakPolarHBondContact O-CG 3.27Å; L135-F139 PolarHBondContact O-N 3.02Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 3.27Å; F139-R142 PolarHBondContact O-N 3.27Å; F139-I143 WeakPolarHBondContact O-CB 3.47Å; F139-I143 WeakPolarHBondContact O-CD1 3.49Å; F139-I143 WeakPolarHBondContact O-CG1 3.26Å; F139-I143 PolarHBondContact O-N 2.88Å; F139-L159 HydrophobicContact CE1-CD1 3.63Å; F139-L159 HydrophobicContact CZ-CD1 3.56Å; F139-A179 HydrophobicContact CD2-CB 4.43Å; F139-A179 HydrophobicContact CE2-CB 4.37Å; F139-L180 HydrophobicContact CB-CD1 3.84Å; F139-L180 HydrophobicContact CD1-CD1 3.86Å; F139-L180 VanDerWaalsContact CD2-CA 3.46Å; F139-L180 HydrophobicContact CD2-CB 3.69Å; F139-L180 HydrophobicContact CD2-CD1 4.05Å; F139-L180 HydrophobicContact CD2-CG 4.45Å; F139-L180 HydrophobicContact CE1-CD1 4.42Å; F139-L180 HydrophobicContact CE2-CB 3.72Å; F139-L180 HydrophobicContact CG-CB 4.22Å; F139-L180 HydrophobicContact CG-CD1 3.66Å; F139-L180 HydrophobicContact CZ-CB 4.29Å; F139-A183 HydrophobicContact CB-CB 3.68Å
140	R	95.1	Very high	87.9	Confident	38 Å²	38	60.1 Å²	60.1	14%	0.143	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-44.4	175.7	-175.2	-170.7	-64	118.6	3.2	111.3	E136 E137 E138 I143 R144 A183 S186 L187	E136-R140 VanDerWaalsContact O-CB 3.25Å; E136-R140 WeakPolarHBondContact O-CB 3.36Å; E136-R140 PolarHBondContact O-N 3.43Å; E136-R140 IonicContact OE1-CZ 2.71Å; E136-R140 IonicContact OE1-NH2 2.9Å; E136-R140 PolarHBondContact OE1-NH2 2.68Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.97Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 2.86Å; R140-I143 PolarHBondContact O-N 3.03Å; R140-R144 WeakPolarHBondContact O-CB 3.39Å; R140-R144 WeakPolarHBondContact O-CG 3.02Å; R140-R144 PolarHBondContact O-N 3.29Å; R140-A183 HydrophobicContact CB-CB 4.22Å; R140-S186 PolarHBondContact NE-OG 3.43Å; R140-S186 VanDerWaalsContact NH2-CB 3.33Å; R140-S186 PolarHBondContact NH2-OG 3.32Å; R140-L187 HydrophobicContact CG-CD1 4.46Å; R140-L187 HydrophobicContact CG-CD2 3.68Å; R140-L187 HydrophobicContact CG-CG 4.04Å
141	E	93.6	Very high	89.6	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.154	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-45.8	177.5	-170.4	-177.4	159.5	0	0	111.2	R123 E137 E138 F139 R144 A145 R346	R123-E141 IonicContact CZ-OE2 3.78Å; R123-E141 IonicContact NH2-OE2 3.77Å; R123-E141 PolarHBondContact NH2-OE2 3.44Å; E137-E141 WeakPolarHBondContact O-CB 3.38Å; E137-E141 PolarHBondContact O-N 3.2Å; E138-E141 WeakPolarHBondContact O-CB 3.31Å; E138-E141 PolarHBondContact O-N 3.25Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 3.27Å; E141-R144 PolarHBondContact O-N 3.46Å; E141-A145 WeakPolarHBondContact O-CB 3.45Å; E141-A145 PolarHBondContact O-N 2.92Å; E141-R346 IonicContact OE1-CZ 3.91Å; E141-R346 IonicContact OE1-NE 2.79Å; E141-R346 PolarHBondContact OE1-NE 3.22Å; E141-R346 VanDerWaalsContact OE1-NE 3.14Å; E141-R346 IonicContact OE1-NH2 2.67Å; E141-R346 PolarHBondContact OE1-NH2 2.99Å; E141-R346 IonicContact OE2-NH2 3.79Å; E141-R346 PolarHBondContact OE2-NH2 3.26Å
142	R	94.6	Very high	91.1	Very high	63 Å²	63	71.2 Å²	71.2	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-68.6	-39.2	178.4	-64.8	-56	83	149.3	2.3	113.5	S119 A120 E138 F139 R144 A145 F146	S119-R142 PolarHBondContact O-NH1 3.45Å; A120-R142 PolarHBondContact O-NH1 3.02Å; E138-R142 WeakPolarHBondContact O-CG 3.37Å; E138-R142 PolarHBondContact O-N 3.45Å; F139-R142 PolarHBondContact O-N 3.27Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-A145 PolarHBondContact O-N 3.33Å; R142-F146 PolarHBondContact O-N 2.89Å
143	I	96	Very high	92.3	Very high	10 Å²	10	72 Å²	72	5%	0.051	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-40.6	175.9	-65.9	162.1	0	0	0	110.3	F139 R140 F146 A147 P154 I157 L180 L187 Y191	F139-I143 WeakPolarHBondContact O-CB 3.47Å; F139-I143 WeakPolarHBondContact O-CD1 3.49Å; F139-I143 WeakPolarHBondContact O-CG1 3.26Å; F139-I143 PolarHBondContact O-N 2.88Å; R140-I143 PolarHBondContact O-N 3.03Å; I143-F146 PolarHBondContact O-N 3.44Å; I143-A147 VanDerWaalsContact O-CB 3.27Å; I143-A147 WeakPolarHBondContact O-CB 3.41Å; I143-A147 PolarHBondContact O-N 3.14Å; I143-P154 HydrophobicContact CG2-CG 4.38Å; I143-I157 HydrophobicContact CD1-CD1 4.29Å; I143-I157 HydrophobicContact CG1-CD1 4.47Å; I143-L180 HydrophobicContact CD1-CD1 4.31Å; I143-L187 HydrophobicContact CB-CD1 3.75Å; I143-L187 HydrophobicContact CD1-CD1 4.28Å; I143-L187 HydrophobicContact CG2-CD1 3.34Å; I143-Y191 HydrophobicContact CG2-CE1 4.17Å
144	R	94.8	Very high	93.3	Very high	120 Å²	120	70.2 Å²	70.2	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-64.7	-43.6	173.8	-74.9	175.4	177.9	156	-2.6	112.3	R140 E141 R142 F146 A147 N148 L187	R140-R144 WeakPolarHBondContact O-CB 3.39Å; R140-R144 WeakPolarHBondContact O-CG 3.02Å; R140-R144 PolarHBondContact O-N 3.29Å; E141-R144 PolarHBondContact O-N 3.46Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R144-F146 PolarHBondContact O-N 3.3Å; R144-A147 PolarHBondContact O-N 2.99Å; R144-A147 VanDerWaalsContact O-N 3.09Å; R144-N148 WeakPolarHBondContact O-CB 3.42Å; R144-N148 PolarHBondContact O-N 3.28Å; R144-N148 PolarHBondContact O-OD1 3.46Å; R144-L187 HydrophobicContact CG-CD2 3.73Å; R144-L187 VanDerWaalsContact NE-CD2 3.25Å
145	A	93.3	Very high	94.2	Very high	45 Å²	45	69.7 Å²	69.7	37%	0.372	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-33.6	177.2	0	0	0	0	0	112.2	E141 R142 P149	E141-A145 WeakPolarHBondContact O-CB 3.45Å; E141-A145 PolarHBondContact O-N 2.92Å; R142-A145 PolarHBondContact O-N 3.33Å; A145-P149 WeakPolarHBondContact O-CD 3.48Å; A145-P149 WeakPolarHBondContact O-CG 3.27Å
146	F	94.9	Very high	94.7	Very high	83 Å²	83	76.9 Å²	76.9	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-74.1	-47.3	169.7	-179.4	-85.8	0	0	0	112.2	R142 I143 R144 P149 N150 R152 P154	R142-F146 PolarHBondContact O-N 2.89Å; I143-F146 PolarHBondContact O-N 3.44Å; R144-F146 PolarHBondContact O-N 3.3Å; F146-P149 WeakPolarHBondContact O-CD 3.5Å; F146-N150 HydrophobicContact CE1-CB 4.46Å; F146-N150 WeakPolarHBondContact O-CB 3.34Å; F146-N150 PolarHBondContact O-ND2 3.24Å; F146-R152 WeakPolarHBondContact CD1-O 3.42Å; F146-R152 HydrophobicContact CE1-CG 4.46Å; F146-R152 WeakPolarHBondContact CE1-O 3.42Å; F146-P154 HydrophobicContact CD1-CB 4.11Å; F146-P154 HydrophobicContact CD1-CG 4.09Å; F146-P154 HydrophobicContact CE1-CB 3.95Å; F146-P154 HydrophobicContact CE1-CG 4.41Å; F146-P154 HydrophobicContact CZ-CB 4.41Å
147	A	95.4	Very high	94.9	Very high	16 Å²	16	74.7 Å²	74.7	13%	0.132	37%	0.365	C	S	.	.	H	α-helix	trans	-69.4	-40.5	-170.1	0	0	0	0	0	113.6	I143 R144 N150 D151 R152 K153	I143-A147 VanDerWaalsContact O-CB 3.27Å; I143-A147 WeakPolarHBondContact O-CB 3.41Å; I143-A147 PolarHBondContact O-N 3.14Å; R144-A147 PolarHBondContact O-N 2.99Å; R144-A147 VanDerWaalsContact O-N 3.09Å; A147-N150 PolarHBondContact O-N 3.45Å; A147-D151 WeakPolarHBondContact O-CA 3.31Å; A147-D151 PolarHBondContact O-N 2.89Å; A147-R152 WeakPolarHBondContact CA-O 3.22Å; A147-R152 PolarHBondContact O-N 3.09Å; A147-K153 HydrophobicContact CB-CG 4.2Å
148	N	92.6	Very high	95.2	Very high	127 Å²	127	72.5 Å²	72.5	68%	0.679	36%	0.356	S	S	*	.	H	α-helix	trans	-58	-51.6	-174.5	-66.9	-3.7	0	0	0	113.4	R144	R144-N148 WeakPolarHBondContact O-CB 3.42Å; R144-N148 PolarHBondContact O-N 3.28Å; R144-N148 PolarHBondContact O-OD1 3.46Å
149	P	93	Very high	95.4	Very high	90 Å²	90	72.8 Å²	72.8	58%	0.584	36%	0.357	S	S	*	.	H	α-helix	trans	-77.1	-21.4	178.6	29.2	-35.8	0	0	0	113.9	A145 F146	A145-P149 WeakPolarHBondContact O-CD 3.48Å; A145-P149 WeakPolarHBondContact O-CG 3.27Å; F146-P149 WeakPolarHBondContact O-CD 3.5Å
150	N	93.9	Very high	95.5	Very high	73 Å²	73	72.7 Å²	72.7	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-97.4	-4.8	-175.4	-69.9	-80.7	0	0	0	113.8	F146 A147 R152	F146-N150 HydrophobicContact CE1-CB 4.46Å; F146-N150 WeakPolarHBondContact O-CB 3.34Å; F146-N150 PolarHBondContact O-ND2 3.24Å; A147-N150 PolarHBondContact O-N 3.45Å; N150-R152 HydrophobicContact CB-CG 3.97Å; N150-R152 WeakPolarHBondContact O-CG 3.4Å; N150-R152 PolarHBondContact O-N 3.1Å
151	D	94	Very high	95.6	Very high	162 Å²	162	72.4 Å²	72.4	87%	0.866	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	27.7	-171.3	-161.1	31.4	0	0	0	113.9	A147	A147-D151 WeakPolarHBondContact O-CA 3.31Å; A147-D151 PolarHBondContact O-N 2.89Å
152	R	95.6	Very high	95.6	Very high	166 Å²	166	72.7 Å²	72.7	63%	0.626	36%	0.359	S	S	*	.	S	Bend	trans	-154.6	136.6	-179.5	70.9	-169.4	177.5	159.8	-2.5	111.2	F146 A147 N150	F146-R152 WeakPolarHBondContact CD1-O 3.42Å; F146-R152 HydrophobicContact CE1-CG 4.46Å; F146-R152 WeakPolarHBondContact CE1-O 3.42Å; A147-R152 WeakPolarHBondContact CA-O 3.22Å; A147-R152 PolarHBondContact O-N 3.09Å; N150-R152 HydrophobicContact CB-CG 3.97Å; N150-R152 WeakPolarHBondContact O-CG 3.4Å; N150-R152 PolarHBondContact O-N 3.1Å
153	K	96.2	Very high	95.1	Very high	82 Å²	82	72 Å²	72	36%	0.357	37%	0.372	S	S	.	.			trans	-74.4	149.4	172	-59.7	169.2	-165.5	168.1	0	109.3	A147 S155 D188 Y191	A147-K153 HydrophobicContact CB-CG 4.2Å; K153-S155 PolarHBondContact O-N 3.33Å; K153-D188 IonicContact NZ-OD2 3.01Å; K153-D188 PolarHBondContact NZ-OD2 2.84Å; K153-Y191 HydrophobicContact CB-CD2 4.3Å; K153-Y191 HydrophobicContact CB-CE1 4.44Å; K153-Y191 HydrophobicContact CB-CE2 3.74Å; K153-Y191 HydrophobicContact CD-CD1 4.22Å; K153-Y191 HydrophobicContact CD-CD2 4.09Å; K153-Y191 HydrophobicContact CD-CE1 4.47Å; K153-Y191 HydrophobicContact CD-CE2 4.34Å; K153-Y191 HydrophobicContact CD-CG 4.04Å
154	P	97.1	Very high	94.9	Very high	21 Å²	21	71.8 Å²	71.8	14%	0.136	37%	0.371	C	S	.	.			trans	-65.7	129.6	178.3	23.9	-27	0	0	0	110.1	I143 F146 R156 I157 Y191	I143-P154 HydrophobicContact CG2-CG 4.38Å; F146-P154 HydrophobicContact CD1-CB 4.11Å; F146-P154 HydrophobicContact CD1-CG 4.09Å; F146-P154 HydrophobicContact CE1-CB 3.95Å; F146-P154 HydrophobicContact CE1-CG 4.41Å; F146-P154 HydrophobicContact CZ-CB 4.41Å; P154-R156 VanDerWaalsContact C-N 3.35Å; P154-I157 HydrophobicContact CB-CG1 4.49Å; P154-I157 HydrophobicContact CG-CD1 4.47Å; P154-I157 HydrophobicContact CG-CG1 4.29Å; P154-Y191 VanDerWaalsContact CD-OH 3.28Å; P154-Y191 WeakPolarHBondContact CD-OH 3.46Å; P154-Y191 VanDerWaalsContact CG-OH 3.32Å; P154-Y191 WeakPolarHBondContact CG-OH 3.42Å; P154-Y191 WeakPolarHBondContact O-CE2 3.27Å; P154-Y191 PolarHBondContact O-OH 2.96Å
155	S	96.8	Very high	94.6	Very high	89 Å²	89	68.9 Å²	68.9	62%	0.622	37%	0.368	S	S	*	.	S	Bend	trans	-76.7	-24.7	178.5	54.4	0	0	0	0	113	K153 P193 G194	K153-S155 PolarHBondContact O-N 3.33Å; S155-P193 WeakPolarHBondContact O-CB 3.47Å; S155-G194 PolarHBondContact O-N 2.78Å
156	R	97.7	Very high	94.5	Very high	169 Å²	169	72 Å²	72	64%	0.638	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.5	177.8	-56.3	-172.2	-178.5	93.6	-0.2	109.8	P154 G194 N265	P154-R156 VanDerWaalsContact C-N 3.35Å; R156-G194 CarbonylContact C-O 3.57Å; R156-G194 WeakPolarHBondContact CA-O 3.31Å; R156-N265 WeakPolarHBondContact CB-OD1 3.34Å; R156-N265 WeakPolarHBondContact CD-OD1 3.27Å; R156-N265 VanDerWaalsContact CG-OD1 3.24Å; R156-N265 WeakPolarHBondContact CG-OD1 3.37Å
157	I	98	Very high	94.3	Very high	28 Å²	28	71.8 Å²	71.8	14%	0.144	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.2	178.1	-58.9	177.8	0	0	0	108.4	I143 P154 L180 P193 G194 I195 T196	I143-I157 HydrophobicContact CD1-CD1 4.29Å; I143-I157 HydrophobicContact CG1-CD1 4.47Å; P154-I157 HydrophobicContact CB-CG1 4.49Å; P154-I157 HydrophobicContact CG-CD1 4.47Å; P154-I157 HydrophobicContact CG-CG1 4.29Å; I157-L180 HydrophobicContact CD1-CD1 4.19Å; I157-L180 HydrophobicContact CG2-CD2 4.17Å; I157-P193 HydrophobicContact CD1-CB 4.36Å; I157-P193 HydrophobicContact CD1-CG 3.74Å; I157-P193 HydrophobicContact CG1-CB 4.36Å; I157-P193 HydrophobicContact CG1-CG 4.26Å; I157-G194 PolarHBondContact N-O 2.89Å; I157-I195 HydrophobicContact CB-CG1 4.39Å; I157-I195 CarbonylContact O-C 3.54Å; I157-I195 WeakPolarHBondContact O-CA 3.43Å; I157-T196 PolarHBondContact O-N 3.44Å
158	I	98.1	Very high	94.2	Very high	58 Å²	58	73.5 Å²	73.5	30%	0.297	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.9	171.7	-57.3	178.1	0	0	0	107.6	F160 T196 L267 M272 I275	I158-F160 HydrophobicContact CG2-CD2 4.25Å; I158-F160 HydrophobicContact CG2-CE2 3.71Å; I158-F160 HydrophobicContact CG2-CZ 3.91Å; I158-T196 WeakPolarHBondContact CA-O 3.49Å; I158-L267 HydrophobicContact CD1-CD1 4.12Å; I158-M272 HydrophobicContact CG2-CE 4.39Å; I158-I275 HydrophobicContact CD1-CD1 3.96Å; I158-I275 HydrophobicContact CD1-CG2 4.11Å
159	L	97.6	Very high	94.2	Very high	21 Å²	21	68.6 Å²	68.6	11%	0.11	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.8	-178.8	-171.8	160.4	0	0	0	109.4	F139 R161 L180 T196 Y197 V198	F139-L159 HydrophobicContact CE1-CD1 3.63Å; F139-L159 HydrophobicContact CZ-CD1 3.56Å; L159-R161 HydrophobicContact CD2-CB 3.8Å; L159-L180 HydrophobicContact CD1-CD2 4.25Å; L159-T196 PolarHBondContact N-O 2.92Å; L159-Y197 HydrophobicContact CB-CD2 4.39Å; L159-Y197 HydrophobicContact CD1-CD2 4.15Å; L159-Y197 HydrophobicContact CD1-CE2 4.13Å; L159-Y197 HydrophobicContact CD2-CD2 3.78Å; L159-Y197 HydrophobicContact CD2-CE2 3.55Å; L159-Y197 HydrophobicContact CG-CD2 4.33Å; L159-Y197 HydrophobicContact CG-CE2 4.4Å; L159-V198 PolarHBondContact O-N 2.96Å
160	F	97.8	Very high	94.2	Very high	33 Å²	33	72.6 Å²	72.6	15%	0.145	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113	170.6	-66.5	-80.2	0	0	0	109.9	I158 V198 V200 Y258 M272 I275 A276 P293 V296	I158-F160 HydrophobicContact CG2-CD2 4.25Å; I158-F160 HydrophobicContact CG2-CE2 3.71Å; I158-F160 HydrophobicContact CG2-CZ 3.91Å; F160-V198 CarbonylContact C-O 3.59Å; F160-V198 WeakPolarHBondContact CA-O 3.27Å; F160-V198 HydrophobicContact CD1-CB 4.02Å; F160-V198 HydrophobicContact CD1-CG1 4.25Å; F160-V198 HydrophobicContact CE1-CB 4.27Å; F160-V198 HydrophobicContact CE1-CG1 4.34Å; F160-V198 HydrophobicContact CE1-CG2 4.48Å; F160-V200 HydrophobicContact CB-CG2 4.17Å; F160-V200 HydrophobicContact CD1-CG2 3.83Å; F160-V200 HydrophobicContact CG-CG2 4.47Å; F160-Y258 HydrophobicContact CD1-CE1 4.38Å; F160-Y258 HydrophobicContact CE1-CD1 4.36Å; F160-Y258 HydrophobicContact CE1-CE1 4.21Å; F160-M272 HydrophobicContact CE1-CE 4.12Å; F160-M272 HydrophobicContact CZ-CE 3.91Å; F160-I275 HydrophobicContact CZ-CG2 4.32Å; F160-A276 HydrophobicContact CE1-CB 4.48Å; F160-P293 HydrophobicContact CD1-CB 4.45Å; F160-P293 HydrophobicContact CD1-CG 3.87Å; F160-P293 HydrophobicContact CD2-CB 4.4Å; F160-P293 HydrophobicContact CE1-CG 4.03Å; F160-P293 HydrophobicContact CG-CB 4.32Å; F160-P293 HydrophobicContact CG-CG 4.19Å; F160-P293 HydrophobicContact CZ-CG 4.49Å; F160-V296 HydrophobicContact CB-CG2 3.61Å
161	R	96.2	Very high	94.2	Very high	31 Å²	31	73.8 Å²	73.8	12%	0.117	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.9	179.4	-179.3	64.1	161.4	82.3	2.8	110.2	E130 L159 V164 E176 Y197 V198 V199 V200	E130-R161 PolarHBondContact O-NH2 3.36Å; E130-R161 VanDerWaalsContact O-NH2 3.11Å; L159-R161 HydrophobicContact CD2-CB 3.8Å; R161-V164 HydrophobicContact CG-CG2 3.61Å; R161-E176 IonicContact CZ-OE1 3.7Å; R161-E176 IonicContact NE-OE1 3.34Å; R161-E176 PolarHBondContact NE-OE1 3.3Å; R161-E176 IonicContact NE-OE2 3.69Å; R161-E176 PolarHBondContact NE-OE2 2.9Å; R161-E176 IonicContact NH2-OE1 2.7Å; R161-E176 PolarHBondContact NH2-OE1 2.92Å; R161-E176 VanDerWaalsContact NH2-OE1 3.11Å; R161-Y197 HydrophobicContact CB-CE1 4.22Å; R161-Y197 WeakPolarHBondContact CG-OH 3.1Å; R161-V198 PolarHBondContact N-O 3.44Å; R161-V199 CarbonylContact O-C 3.52Å; R161-V199 VanDerWaalsContact O-CA 3.27Å; R161-V199 WeakPolarHBondContact O-CA 3.37Å; R161-V200 PolarHBondContact O-N 2.87Å
162	D	94	Very high	94.2	Very high	40 Å²	40	66.2 Å²	66.2	21%	0.214	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	152.7	172.9	174.8	64.4	0	0	0	111.9	V200 V296 H300	D162-V200 WeakPolarHBondContact CA-O 3.39Å; D162-V296 HydrophobicContact CB-CG1 3.33Å; D162-H300 IonicContact OD2-CD2 3.98Å; D162-H300 IonicContact OD2-CE1 3.32Å; D162-H300 PolarHBondContact OD2-CE1 3.34Å; D162-H300 IonicContact OD2-NE2 3.69Å; D162-H300 PolarHBondContact OD2-NE2 3.04Å
163	G	84.3	Confident	94.1	Very high	49 Å²	49	59.8 Å²	59.8	51%	0.505	32%	0.322	S	S	.	.	S	Bend	trans	80.6	38.9	170.8	0	0	0	0	0	114.4
164	V	90.6	Very high	94.1	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.03	34%	0.336	C	S	.	.			trans	-118.9	131.8	170.7	-172.7	0	0	0	0	108.4	R161 E168 F169 V172 V199 Q201	R161-V164 HydrophobicContact CG-CG2 3.61Å; V164-E168 HydrophobicContact CG1-CB 3.87Å; V164-F169 HydrophobicContact CB-CD1 4.43Å; V164-F169 HydrophobicContact CB-CE1 4.41Å; V164-F169 HydrophobicContact CG1-CD1 3.85Å; V164-F169 HydrophobicContact CG1-CE1 4.28Å; V164-V172 HydrophobicContact CG1-CB 4.09Å; V164-V172 HydrophobicContact CG1-CG1 4.42Å; V164-V172 HydrophobicContact CG1-CG2 3.82Å; V164-V172 HydrophobicContact CG2-CG1 4.03Å; V164-V199 HydrophobicContact CB-CG1 4.04Å; V164-Q201 PolarHBondContact O-NE2 3.28Å
165	S	90.3	Very high	93.9	Very high	58 Å²	58	67 Å²	67	41%	0.406	35%	0.348	S	S	.	.			trans	-78.3	155.1	174.1	78.7	0	0	0	0	111.2	G167 E168 F169	S165-G167 PolarHBondContact O-N 2.89Å; S165-E168 WeakPolarHBondContact CB-OE2 3.31Å; S165-E168 PolarHBondContact O-N 3.28Å; S165-E168 PolarHBondContact OG-OE2 3.46Å; S165-F169 WeakPolarHBondContact O-CD1 3.45Å; S165-F169 WeakPolarHBondContact O-CE1 3.22Å; S165-F169 PolarHBondContact O-N 2.85Å
166	E	90.4	Very high	93.8	Very high	112 Å²	112	63 Å²	63	52%	0.523	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-58.4	-34.5	-178.3	-66.4	-173.6	166.1	0	0	112.7	E168 F169 K257	E166-E168 PolarHBondContact O-N 2.96Å; E166-F169 HydrophobicContact CB-CD2 4.46Å; E166-F169 HydrophobicContact CB-CE2 4.14Å; E166-F169 HydrophobicContact CB-CZ 4.19Å; E166-F169 HydrophobicContact CG-CE1 4.37Å; E166-F169 HydrophobicContact CG-CE2 3.8Å; E166-F169 HydrophobicContact CG-CZ 3.68Å; E166-F169 WeakPolarHBondContact O-CB 3.29Å; E166-F169 WeakPolarHBondContact O-CG 3.25Å; E166-F169 PolarHBondContact O-N 3.45Å; E166-K257 IonicContact OE1-NZ 2.88Å; E166-K257 PolarHBondContact OE1-NZ 3.47Å
167	G	91.5	Very high	93.7	Very high	78 Å²	78	55.6 Å²	55.6	80%	0.804	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64	-20.7	177.1	0	0	0	0	0	114.2	S165	S165-G167 PolarHBondContact O-N 2.89Å
168	E	91.8	Very high	93.6	Very high	52 Å²	52	63.5 Å²	63.5	24%	0.243	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-102.1	-7.5	-175.9	-71.4	166.4	128.2	0	0	113.4	E130 V164 S165 E166 K170 K171 V172	E130-E168 VanDerWaalsContact CD-OE1 3.23Å; E130-E168 VanDerWaalsContact OE2-OE1 3.1Å; V164-E168 HydrophobicContact CG1-CB 3.87Å; S165-E168 WeakPolarHBondContact CB-OE2 3.31Å; S165-E168 PolarHBondContact O-N 3.28Å; S165-E168 PolarHBondContact OG-OE2 3.46Å; E166-E168 PolarHBondContact O-N 2.96Å; E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 3.3Å; E168-K171 PolarHBondContact O-N 2.52Å; E168-V172 HydrophobicContact CB-CG2 4.15Å; E168-V172 PolarHBondContact O-N 2.8Å
169	F	93.8	Very high	93.5	Very high	24 Å²	24	61.5 Å²	61.5	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-48.2	-50.3	-176	-76.6	0.9	0	0	0	113	V164 S165 E166 K171 L173 V199 N259 L261	V164-F169 HydrophobicContact CB-CD1 4.43Å; V164-F169 HydrophobicContact CB-CE1 4.41Å; V164-F169 HydrophobicContact CG1-CD1 3.85Å; V164-F169 HydrophobicContact CG1-CE1 4.28Å; S165-F169 WeakPolarHBondContact O-CD1 3.45Å; S165-F169 WeakPolarHBondContact O-CE1 3.22Å; S165-F169 PolarHBondContact O-N 2.85Å; E166-F169 HydrophobicContact CB-CD2 4.46Å; E166-F169 HydrophobicContact CB-CE2 4.14Å; E166-F169 HydrophobicContact CB-CZ 4.19Å; E166-F169 HydrophobicContact CG-CE1 4.37Å; E166-F169 HydrophobicContact CG-CE2 3.8Å; E166-F169 HydrophobicContact CG-CZ 3.68Å; E166-F169 WeakPolarHBondContact O-CB 3.29Å; E166-F169 WeakPolarHBondContact O-CG 3.25Å; E166-F169 PolarHBondContact O-N 3.45Å; F169-K171 PolarHBondContact O-N 3.24Å; F169-L173 WeakPolarHBondContact O-CB 3.5Å; F169-L173 PolarHBondContact O-N 3.26Å; F169-V199 HydrophobicContact CD1-CG2 4.34Å; F169-V199 HydrophobicContact CE1-CB 4.15Å; F169-V199 HydrophobicContact CE1-CG1 3.73Å; F169-V199 HydrophobicContact CE1-CG2 4.23Å; F169-V199 HydrophobicContact CZ-CB 4.37Å; F169-V199 HydrophobicContact CZ-CG1 4.18Å; F169-N259 HydrophobicContact CE2-CB 3.9Å; F169-N259 HydrophobicContact CZ-CB 4.15Å; F169-L261 HydrophobicContact CB-CD1 3.79Å; F169-L261 HydrophobicContact CB-CD2 4.35Å; F169-L261 HydrophobicContact CD1-CD1 4.28Å; F169-L261 HydrophobicContact CD2-CD1 4.29Å; F169-L261 HydrophobicContact CD2-CD2 3.64Å; F169-L261 HydrophobicContact CE2-CD2 4.1Å; F169-L261 HydrophobicContact CG-CD1 3.88Å; F169-L261 HydrophobicContact CG-CD2 4.09Å
170	K	93.3	Very high	93.5	Very high	173 Å²	173	60.6 Å²	60.6	75%	0.752	31%	0.307	S	S	*	.	H	α-helix	trans	-63.6	-41.1	-178.1	-69.6	-176.5	179.8	177.5	0	112.4	E168 R174	E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 3.3Å; K170-R174 WeakPolarHBondContact O-CB 3.34Å; K170-R174 PolarHBondContact O-N 3.14Å
171	K	93.4	Very high	93.4	Very high	99 Å²	99	63.4 Å²	63.4	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-69.2	-53.7	-178.2	-178.7	-172.9	172.9	-169.7	0	110.1	E168 F169 R174 E175	E168-K171 PolarHBondContact O-N 2.52Å; F169-K171 PolarHBondContact O-N 3.24Å; K171-R174 PolarHBondContact O-N 3.11Å; K171-E175 VanDerWaalsContact CE-OE1 3.26Å; K171-E175 WeakPolarHBondContact CE-OE1 3.35Å; K171-E175 WeakPolarHBondContact CG-OE1 3.34Å; K171-E175 WeakPolarHBondContact O-CG 3.41Å; K171-E175 PolarHBondContact O-N 3.11Å; K171-E175 VanDerWaalsContact O-N 3.11Å
172	V	92.9	Very high	93.5	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-46.9	-177.8	178.5	0	0	0	0	110.4	V164 E168 R174 E175 E176 Y197	V164-V172 HydrophobicContact CG1-CB 4.09Å; V164-V172 HydrophobicContact CG1-CG1 4.42Å; V164-V172 HydrophobicContact CG1-CG2 3.82Å; V164-V172 HydrophobicContact CG2-CG1 4.03Å; E168-V172 HydrophobicContact CB-CG2 4.15Å; E168-V172 PolarHBondContact O-N 2.8Å; V172-R174 VanDerWaalsContact C-N 3.32Å; V172-R174 PolarHBondContact O-N 3.11Å; V172-E175 PolarHBondContact O-N 2.87Å; V172-E176 HydrophobicContact CG1-CG 3.76Å; V172-E176 VanDerWaalsContact CG1-OE1 3.27Å; V172-E176 WeakPolarHBondContact CG1-OE1 3.44Å; V172-E176 WeakPolarHBondContact O-CB 3.46Å; V172-E176 VanDerWaalsContact O-CG 3.31Å; V172-E176 WeakPolarHBondContact O-CG 3.48Å; V172-E176 PolarHBondContact O-N 3.04Å; V172-Y197 WeakPolarHBondContact CG1-OH 3.5Å
173	L	95.1	Very high	93.6	Very high	32 Å²	32	60.8 Å²	60.8	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-53.9	-48.8	175.7	178.1	68.7	0	0	0	111.7	F169 E175 L177 Y197 L261 C262	F169-L173 WeakPolarHBondContact O-CB 3.5Å; F169-L173 PolarHBondContact O-N 3.26Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 3.21Å; L173-L177 HydrophobicContact CD1-CB 4.36Å; L173-L177 HydrophobicContact CD1-CD2 4.28Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 PolarHBondContact O-N 3.2Å; L173-Y197 HydrophobicContact CD1-CD1 3.66Å; L173-Y197 HydrophobicContact CD1-CD2 4.14Å; L173-Y197 HydrophobicContact CD1-CE1 4.17Å; L173-Y197 HydrophobicContact CD1-CG 3.64Å; L173-L261 HydrophobicContact CB-CD1 4.29Å; L173-L261 HydrophobicContact CD1-CB 3.99Å; L173-L261 HydrophobicContact CD2-CB 3.96Å; L173-L261 HydrophobicContact CG-CB 4.44Å; L173-C262 HydrophobicContact CD1-CB 3.96Å
174	R	94.8	Very high	94.2	Very high	174 Å²	174	58.6 Å²	58.6	66%	0.657	28%	0.284	S	S	*	.	H	α-helix	trans	-60.2	-44.7	-177.8	-174.8	-171.2	-60.9	141.8	-1.2	111.7	K170 K171 V172 R178	K170-R174 WeakPolarHBondContact O-CB 3.34Å; K170-R174 PolarHBondContact O-N 3.14Å; K171-R174 PolarHBondContact O-N 3.11Å; V172-R174 VanDerWaalsContact C-N 3.32Å; V172-R174 PolarHBondContact O-N 3.11Å; R174-R178 WeakPolarHBondContact O-CB 3.3Å; R174-R178 PolarHBondContact O-N 3.38Å
175	E	93.3	Very high	94.5	Very high	81 Å²	81	63.5 Å²	63.5	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-72.4	-50.6	-177	-69.2	173.4	-169.6	0	0	111.5	S131 K171 V172 L173 R178 A179	S131-E175 WeakPolarHBondContact CB-OE2 3.33Å; S131-E175 PolarHBondContact OG-OE2 3.26Å; K171-E175 VanDerWaalsContact CE-OE1 3.26Å; K171-E175 WeakPolarHBondContact CE-OE1 3.35Å; K171-E175 WeakPolarHBondContact CG-OE1 3.34Å; K171-E175 WeakPolarHBondContact O-CG 3.41Å; K171-E175 PolarHBondContact O-N 3.11Å; K171-E175 VanDerWaalsContact O-N 3.11Å; V172-E175 PolarHBondContact O-N 2.87Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 3.21Å; E175-R178 PolarHBondContact O-N 2.97Å; E175-A179 PolarHBondContact O-N 3.44Å
176	E	95.2	Very high	94.8	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.019	30%	0.302	C	S	.	.	H	α-helix	trans	-69.7	-42.5	-176.4	-56.4	-159.5	179.6	0	0	112	L135 R161 V172 R178 A179 L180 Y197	L135-E176 HydrophobicContact CD1-CB 3.77Å; L135-E176 HydrophobicContact CD1-CG 3.42Å; L135-E176 VanDerWaalsContact CD1-CG 3.42Å; R161-E176 IonicContact CZ-OE1 3.7Å; R161-E176 IonicContact NE-OE1 3.34Å; R161-E176 PolarHBondContact NE-OE1 3.3Å; R161-E176 IonicContact NE-OE2 3.69Å; R161-E176 PolarHBondContact NE-OE2 2.9Å; R161-E176 IonicContact NH2-OE1 2.7Å; R161-E176 PolarHBondContact NH2-OE1 2.92Å; R161-E176 VanDerWaalsContact NH2-OE1 3.11Å; V172-E176 HydrophobicContact CG1-CG 3.76Å; V172-E176 VanDerWaalsContact CG1-OE1 3.27Å; V172-E176 WeakPolarHBondContact CG1-OE1 3.44Å; V172-E176 WeakPolarHBondContact O-CB 3.46Å; V172-E176 VanDerWaalsContact O-CG 3.31Å; V172-E176 WeakPolarHBondContact O-CG 3.48Å; V172-E176 PolarHBondContact O-N 3.04Å; E176-R178 VanDerWaalsContact C-N 3.35Å; E176-R178 PolarHBondContact O-N 2.96Å; E176-A179 PolarHBondContact O-N 2.9Å; E176-L180 PolarHBondContact O-N 3.31Å; E176-Y197 HydrophobicContact CB-CE2 3.97Å; E176-Y197 PolarHBondContact OE2-OH 3.07Å
177	L	95.5	Very high	95	Very high	14 Å²	14	60.2 Å²	60.2	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-36.9	177.7	-172.8	63.1	0	0	0	111.7	L173 L180 R181 I195 C262	L173-L177 HydrophobicContact CD1-CB 4.36Å; L173-L177 HydrophobicContact CD1-CD2 4.28Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 PolarHBondContact O-N 3.2Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-R181 HydrophobicContact CD1-CG 4.42Å; L177-R181 WeakPolarHBondContact O-CB 3.2Å; L177-R181 VanDerWaalsContact O-CG 3.3Å; L177-R181 WeakPolarHBondContact O-CG 3.46Å; L177-R181 PolarHBondContact O-N 2.98Å; L177-I195 HydrophobicContact CD1-CB 4.2Å; L177-I195 HydrophobicContact CD1-CD1 3.99Å; L177-I195 HydrophobicContact CD1-CG2 3.66Å; L177-C262 HydrophobicContact CD2-CB 4.29Å
178	R	95.7	Very high	95.2	Very high	193 Å²	193	59.9 Å²	59.9	73%	0.728	27%	0.268	S	S	*	.	H	α-helix	trans	-61.4	-46.1	173.4	177.4	178.3	174.4	162.1	-0.6	110.6	R174 E175 E176 R181 A182	R174-R178 WeakPolarHBondContact O-CB 3.3Å; R174-R178 PolarHBondContact O-N 3.38Å; E175-R178 PolarHBondContact O-N 2.97Å; E176-R178 VanDerWaalsContact C-N 3.35Å; E176-R178 PolarHBondContact O-N 2.96Å; R178-R181 PolarHBondContact O-N 3.29Å; R178-A182 VanDerWaalsContact O-CB 3.31Å; R178-A182 WeakPolarHBondContact O-CB 3.15Å; R178-A182 PolarHBondContact O-N 3.4Å
179	A	96.2	Very high	95.2	Very high	16 Å²	16	66.5 Å²	66.5	13%	0.132	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-45.1	178.3	0	0	0	0	0	112	L135 E136 F139 E175 E176 A182 A183	L135-A179 HydrophobicContact CB-CB 3.64Å; E136-A179 HydrophobicContact CB-CB 4.39Å; F139-A179 HydrophobicContact CD2-CB 4.43Å; F139-A179 HydrophobicContact CE2-CB 4.37Å; E175-A179 PolarHBondContact O-N 3.44Å; E176-A179 PolarHBondContact O-N 2.9Å; A179-A182 PolarHBondContact O-N 2.89Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.44Å
180	L	97.1	Very high	95.3	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-46.8	177.1	177.7	55.3	0	0	0	111.9	F139 I143 I157 L159 E176 L177 A182 A183 C184 I195	F139-L180 HydrophobicContact CB-CD1 3.84Å; F139-L180 HydrophobicContact CD1-CD1 3.86Å; F139-L180 VanDerWaalsContact CD2-CA 3.46Å; F139-L180 HydrophobicContact CD2-CB 3.69Å; F139-L180 HydrophobicContact CD2-CD1 4.05Å; F139-L180 HydrophobicContact CD2-CG 4.45Å; F139-L180 HydrophobicContact CE1-CD1 4.42Å; F139-L180 HydrophobicContact CE2-CB 3.72Å; F139-L180 HydrophobicContact CG-CB 4.22Å; F139-L180 HydrophobicContact CG-CD1 3.66Å; F139-L180 HydrophobicContact CZ-CB 4.29Å; I143-L180 HydrophobicContact CD1-CD1 4.31Å; I157-L180 HydrophobicContact CD1-CD1 4.19Å; I157-L180 HydrophobicContact CG2-CD2 4.17Å; L159-L180 HydrophobicContact CD1-CD2 4.25Å; E176-L180 PolarHBondContact O-N 3.31Å; L177-L180 PolarHBondContact O-N 3.43Å; L180-A182 VanDerWaalsContact C-N 3.3Å; L180-A182 PolarHBondContact O-N 2.88Å; L180-A183 WeakPolarHBondContact O-CB 3.37Å; L180-A183 PolarHBondContact O-N 3.23Å; L180-C184 PolarHBondContact O-N 3.33Å; L180-C184 PolarHBondContact O-SG 3.02Å; L180-I195 HydrophobicContact CD2-CD1 3.76Å; L180-I195 HydrophobicContact CD2-CG1 4.01Å; L180-I195 HydrophobicContact CD2-CG2 3.73Å; L180-I195 HydrophobicContact CG-CD1 3.82Å; L180-I195 HydrophobicContact CG-CG1 4.49Å
181	R	97.1	Very high	95.5	Very high	92 Å²	92	61.2 Å²	61.2	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-35	177.3	-72.1	176.5	172.1	168.9	-2.2	112	L177 R178 R185 I195 D264	L177-R181 HydrophobicContact CD1-CG 4.42Å; L177-R181 WeakPolarHBondContact O-CB 3.2Å; L177-R181 VanDerWaalsContact O-CG 3.3Å; L177-R181 WeakPolarHBondContact O-CG 3.46Å; L177-R181 PolarHBondContact O-N 2.98Å; R178-R181 PolarHBondContact O-N 3.29Å; R181-R185 WeakPolarHBondContact O-CG 3.46Å; R181-R185 PolarHBondContact O-N 2.89Å; R181-R185 VanDerWaalsContact O-N 3.17Å; R181-R185 PolarHBondContact O-NH1 3.42Å; R181-I195 HydrophobicContact CG-CD1 3.69Å; R181-D264 IonicContact CZ-OD2 3.33Å; R181-D264 IonicContact NE-OD2 2.73Å; R181-D264 IonicContact NH2-OD1 3.77Å; R181-D264 PolarHBondContact NH2-OD1 3.43Å; R181-D264 VanDerWaalsContact NH2-OD1 3.12Å; R181-D264 IonicContact NH2-OD2 2.79Å; R181-D264 PolarHBondContact NH2-OD2 3.14Å
182	A	96.6	Very high	95.7	Very high	17 Å²	17	66 Å²	66	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-41.7	173.9	0	0	0	0	0	111.7	E136 R178 A179 L180 C184 R185 S186	E136-A182 HydrophobicContact CG-CB 4.05Å; E136-A182 VanDerWaalsContact OE2-CB 3.26Å; E136-A182 WeakPolarHBondContact OE2-CB 3.4Å; R178-A182 VanDerWaalsContact O-CB 3.31Å; R178-A182 WeakPolarHBondContact O-CB 3.15Å; R178-A182 PolarHBondContact O-N 3.4Å; A179-A182 PolarHBondContact O-N 2.89Å; L180-A182 VanDerWaalsContact C-N 3.3Å; L180-A182 PolarHBondContact O-N 2.88Å; A182-C184 PolarHBondContact O-N 3.05Å; A182-R185 PolarHBondContact O-N 3.45Å; A182-S186 WeakPolarHBondContact O-CB 3.41Å; A182-S186 PolarHBondContact O-N 3.42Å
183	A	97.1	Very high	95.9	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-47.1	175.1	0	0	0	0	0	111.3	E136 F139 R140 A179 L180 S186 L187	E136-A183 HydrophobicContact CG-CB 3.98Å; E136-A183 VanDerWaalsContact O-CB 3.27Å; E136-A183 WeakPolarHBondContact O-CB 3.48Å; F139-A183 HydrophobicContact CB-CB 3.68Å; R140-A183 HydrophobicContact CB-CB 4.22Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.44Å; L180-A183 WeakPolarHBondContact O-CB 3.37Å; L180-A183 PolarHBondContact O-N 3.23Å; A183-S186 PolarHBondContact O-N 3.24Å; A183-S186 PolarHBondContact O-OG 3.05Å; A183-L187 PolarHBondContact O-N 3Å
184	C	97.6	Very high	96	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-52.6	175	-64.4	0	0	0	0	111.8	L180 A182 S186 L187 D188 Y191	L180-C184 PolarHBondContact O-N 3.33Å; L180-C184 PolarHBondContact O-SG 3.02Å; A182-C184 PolarHBondContact O-N 3.05Å; C184-S186 VanDerWaalsContact C-N 3.26Å; C184-S186 PolarHBondContact O-N 3.44Å; C184-L187 PolarHBondContact O-N 3.41Å; C184-L187 VanDerWaalsContact O-N 3.14Å; C184-D188 PolarHBondContact O-N 3.2Å; C184-Y191 HydrophobicContact CB-CD1 3.61Å; C184-Y191 HydrophobicContact CB-CE1 3.8Å
185	R	96.5	Very high	96.2	Very high	109 Å²	109	57.7 Å²	57.7	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-29.4	-180	-72.4	-171	-60.3	-89.5	-2.3	113.9	R181 A182 L187 D188 K189	R181-R185 WeakPolarHBondContact O-CG 3.46Å; R181-R185 PolarHBondContact O-N 2.89Å; R181-R185 VanDerWaalsContact O-N 3.17Å; R181-R185 PolarHBondContact O-NH1 3.42Å; A182-R185 PolarHBondContact O-N 3.45Å; R185-L187 VanDerWaalsContact C-N 3.29Å; R185-D188 WeakPolarHBondContact CA-O 3.4Å; R185-D188 CarbonylContact O-C 3.58Å; R185-D188 VanDerWaalsContact O-C 3.23Å; R185-D188 PolarHBondContact O-N 2.94Å; R185-K189 PolarHBondContact O-N 3.24Å
186	S	96.2	Very high	96.5	Very high	57 Å²	57	53.9 Å²	53.9	40%	0.399	26%	0.26	S	S	.	.	H	α-helix	trans	-72.7	-22.5	178.2	74.8	0	0	0	0	113.3	R140 A182 A183 C184	R140-S186 PolarHBondContact NE-OG 3.43Å; R140-S186 VanDerWaalsContact NH2-CB 3.33Å; R140-S186 PolarHBondContact NH2-OG 3.32Å; A182-S186 WeakPolarHBondContact O-CB 3.41Å; A182-S186 PolarHBondContact O-N 3.42Å; A183-S186 PolarHBondContact O-N 3.24Å; A183-S186 PolarHBondContact O-OG 3.05Å; C184-S186 VanDerWaalsContact C-N 3.26Å; C184-S186 PolarHBondContact O-N 3.44Å
187	L	95.1	Very high	96.6	Very high	43 Å²	43	53.7 Å²	53.7	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-80.8	-34.9	173.8	-68.7	170.4	0	0	0	111.5	R140 I143 R144 A183 C184 R185	R140-L187 HydrophobicContact CG-CD1 4.46Å; R140-L187 HydrophobicContact CG-CD2 3.68Å; R140-L187 HydrophobicContact CG-CG 4.04Å; I143-L187 HydrophobicContact CB-CD1 3.75Å; I143-L187 HydrophobicContact CD1-CD1 4.28Å; I143-L187 HydrophobicContact CG2-CD1 3.34Å; R144-L187 HydrophobicContact CG-CD2 3.73Å; R144-L187 VanDerWaalsContact NE-CD2 3.25Å; A183-L187 PolarHBondContact O-N 3Å; C184-L187 PolarHBondContact O-N 3.41Å; C184-L187 VanDerWaalsContact O-N 3.14Å; R185-L187 VanDerWaalsContact C-N 3.29Å
188	D	94	Very high	96.7	Very high	72 Å²	72	53 Å²	53	39%	0.385	26%	0.256	S	S	.	.			trans	-166	127.7	179	171.6	-4.7	0	0	0	108.7	K153 C184 R185 G190 Y191	K153-D188 IonicContact NZ-OD2 3.01Å; K153-D188 PolarHBondContact NZ-OD2 2.84Å; C184-D188 PolarHBondContact O-N 3.2Å; R185-D188 WeakPolarHBondContact CA-O 3.4Å; R185-D188 CarbonylContact O-C 3.58Å; R185-D188 VanDerWaalsContact O-C 3.23Å; R185-D188 PolarHBondContact O-N 2.94Å; D188-G190 PolarHBondContact O-N 3.23Å; D188-G190 VanDerWaalsContact O-N 3.12Å; D188-G190 PolarHBondContact OD1-N 3.19Å; D188-Y191 WeakPolarHBondContact O-CB 3.48Å; D188-Y191 PolarHBondContact O-N 3.17Å
189	K	93.6	Very high	96.8	Very high	191 Å²	191	43.9 Å²	43.9	83%	0.83	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.7	-175.8	-66.7	-177.7	179.9	177.4	0	112.4	R185	R185-K189 PolarHBondContact O-N 3.24Å
190	G	95.6	Very high	96.8	Very high	61 Å²	61	43.1 Å²	43.1	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.1	179.2	0	0	0	0	0	114.7	D188 R192	D188-G190 PolarHBondContact O-N 3.23Å; D188-G190 VanDerWaalsContact O-N 3.12Å; D188-G190 PolarHBondContact OD1-N 3.19Å; G190-R192 PolarHBondContact O-N 3.35Å; G190-R192 VanDerWaalsContact O-N 3.15Å
191	Y	97.2	Very high	96.7	Very high	24 Å²	24	44.2 Å²	44.2	9%	0.094	22%	0.221	C	C	.	.			trans	-77.7	105.8	-173.8	178.6	-126.3	0	0	0	112	I143 K153 P154 C184 D188 P193	I143-Y191 HydrophobicContact CG2-CE1 4.17Å; K153-Y191 HydrophobicContact CB-CD2 4.3Å; K153-Y191 HydrophobicContact CB-CE1 4.44Å; K153-Y191 HydrophobicContact CB-CE2 3.74Å; K153-Y191 HydrophobicContact CD-CD1 4.22Å; K153-Y191 HydrophobicContact CD-CD2 4.09Å; K153-Y191 HydrophobicContact CD-CE1 4.47Å; K153-Y191 HydrophobicContact CD-CE2 4.34Å; K153-Y191 HydrophobicContact CD-CG 4.04Å; P154-Y191 VanDerWaalsContact CD-OH 3.28Å; P154-Y191 WeakPolarHBondContact CD-OH 3.46Å; P154-Y191 VanDerWaalsContact CG-OH 3.32Å; P154-Y191 WeakPolarHBondContact CG-OH 3.42Å; P154-Y191 WeakPolarHBondContact O-CE2 3.27Å; P154-Y191 PolarHBondContact O-OH 2.96Å; C184-Y191 HydrophobicContact CB-CD1 3.61Å; C184-Y191 HydrophobicContact CB-CE1 3.8Å; D188-Y191 WeakPolarHBondContact O-CB 3.48Å; D188-Y191 PolarHBondContact O-N 3.17Å; Y191-P193 HydrophobicContact CE1-CG 4.01Å; Y191-P193 HydrophobicContact CE2-CB 3.89Å; Y191-P193 HydrophobicContact CE2-CG 3.87Å; Y191-P193 WeakPolarHBondContact OH-CG 3.4Å
192	R	96.9	Very high	96.3	Very high	200 Å²	200	43.2 Å²	43.2	76%	0.755	22%	0.219	S	C	*	.			trans	-131.6	74.2	-179.6	-63.1	-174.4	178.4	-157	2.2	110.5	G190	G190-R192 PolarHBondContact O-N 3.35Å; G190-R192 VanDerWaalsContact O-N 3.15Å
193	P	97.7	Very high	95.8	Very high	15 Å²	15	53.9 Å²	53.9	10%	0.097	26%	0.255	C	S	.	.			trans	-67.1	154.4	177.6	32.5	-37.1	0	0	0	110.5	S155 I157 Y191	S155-P193 WeakPolarHBondContact O-CB 3.47Å; I157-P193 HydrophobicContact CD1-CB 4.36Å; I157-P193 HydrophobicContact CD1-CG 3.74Å; I157-P193 HydrophobicContact CG1-CB 4.36Å; I157-P193 HydrophobicContact CG1-CG 4.26Å; Y191-P193 HydrophobicContact CE1-CG 4.01Å; Y191-P193 HydrophobicContact CE2-CB 3.89Å; Y191-P193 HydrophobicContact CE2-CG 3.87Å; Y191-P193 WeakPolarHBondContact OH-CG 3.4Å
194	G	97.9	Very high	95.2	Very high	16 Å²	16	55.4 Å²	55.4	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.3	169.9	0	0	0	0	0	110.6	S155 R156 I157 N265	S155-G194 PolarHBondContact O-N 2.78Å; R156-G194 CarbonylContact C-O 3.57Å; R156-G194 WeakPolarHBondContact CA-O 3.31Å; I157-G194 PolarHBondContact N-O 2.89Å; G194-N265 VanDerWaalsContact C-ND2 3.28Å; G194-N265 VanDerWaalsContact CA-OD1 3.27Å; G194-N265 WeakPolarHBondContact CA-OD1 3.38Å; G194-N265 PolarHBondContact O-ND2 3.19Å; G194-N265 PolarHBondContact O-OD1 2.86Å
195	I	98.3	Very high	94.8	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	-178.7	-61.7	163.7	0	0	0	110.1	I157 L177 L180 R181 D264	I157-I195 HydrophobicContact CB-CG1 4.39Å; I157-I195 CarbonylContact O-C 3.54Å; I157-I195 WeakPolarHBondContact O-CA 3.43Å; L177-I195 HydrophobicContact CD1-CB 4.2Å; L177-I195 HydrophobicContact CD1-CD1 3.99Å; L177-I195 HydrophobicContact CD1-CG2 3.66Å; L180-I195 HydrophobicContact CD2-CD1 3.76Å; L180-I195 HydrophobicContact CD2-CG1 4.01Å; L180-I195 HydrophobicContact CD2-CG2 3.73Å; L180-I195 HydrophobicContact CG-CD1 3.82Å; L180-I195 HydrophobicContact CG-CG1 4.49Å; R181-I195 HydrophobicContact CG-CD1 3.69Å; I195-D264 PolarHBondContact O-N 3.29Å
196	T	98.5	Very high	94.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.5	166.4	-47.6	0	0	0	0	108.9	I157 I158 L159 V198 V260 C262 D263 N265 L267 M272	I157-T196 PolarHBondContact O-N 3.44Å; I158-T196 WeakPolarHBondContact CA-O 3.49Å; L159-T196 PolarHBondContact N-O 2.92Å; T196-V198 HydrophobicContact CG2-CG2 3.93Å; T196-V260 HydrophobicContact CG2-CG1 4.02Å; T196-C262 CarbonylContact C-O 3.46Å; T196-C262 WeakPolarHBondContact CA-O 3.5Å; T196-D263 WeakPolarHBondContact CB-OD1 3.25Å; T196-D263 HydrophobicContact CG2-CB 4.05Å; T196-D263 WeakPolarHBondContact CG2-OD1 3.42Å; T196-D263 PolarHBondContact OG1-OD1 3.29Å; T196-N265 PolarHBondContact N-ND2 3.26Å; T196-N265 PolarHBondContact OG1-ND2 3.49Å; T196-L267 HydrophobicContact CG2-CD1 4.22Å; T196-M272 HydrophobicContact CG2-SD 3.96Å
197	Y	98	Very high	94.4	Very high	1 Å²	1	62 Å²	62	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.9	-178.7	-170.8	-77.3	0	0	0	110	L159 R161 V172 L173 E176 V199 L261 C262	L159-Y197 HydrophobicContact CB-CD2 4.39Å; L159-Y197 HydrophobicContact CD1-CD2 4.15Å; L159-Y197 HydrophobicContact CD1-CE2 4.13Å; L159-Y197 HydrophobicContact CD2-CD2 3.78Å; L159-Y197 HydrophobicContact CD2-CE2 3.55Å; L159-Y197 HydrophobicContact CG-CD2 4.33Å; L159-Y197 HydrophobicContact CG-CE2 4.4Å; R161-Y197 HydrophobicContact CB-CE1 4.22Å; R161-Y197 WeakPolarHBondContact CG-OH 3.1Å; V172-Y197 WeakPolarHBondContact CG1-OH 3.5Å; L173-Y197 HydrophobicContact CD1-CD1 3.66Å; L173-Y197 HydrophobicContact CD1-CD2 4.14Å; L173-Y197 HydrophobicContact CD1-CE1 4.17Å; L173-Y197 HydrophobicContact CD1-CG 3.64Å; E176-Y197 HydrophobicContact CB-CE2 3.97Å; E176-Y197 PolarHBondContact OE2-OH 3.07Å; Y197-V199 HydrophobicContact CD1-CG2 4.33Å; Y197-V199 HydrophobicContact CE1-CG2 3.66Å; Y197-L261 HydrophobicContact CD1-CB 4.09Å; Y197-L261 HydrophobicContact CD1-CD1 4.14Å; Y197-L261 HydrophobicContact CD1-CG 4.31Å; Y197-L261 HydrophobicContact CE1-CD1 4.01Å; Y197-L261 PolarHBondContact O-N 3.48Å; Y197-C262 PolarHBondContact N-O 2.98Å
198	V	98.1	Very high	94.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.8	-174.1	-169.5	0	0	0	0	110	L159 F160 R161 T196 Y258 N259 V260 M272	L159-V198 PolarHBondContact O-N 2.96Å; F160-V198 CarbonylContact C-O 3.59Å; F160-V198 WeakPolarHBondContact CA-O 3.27Å; F160-V198 HydrophobicContact CD1-CB 4.02Å; F160-V198 HydrophobicContact CD1-CG1 4.25Å; F160-V198 HydrophobicContact CE1-CB 4.27Å; F160-V198 HydrophobicContact CE1-CG1 4.34Å; F160-V198 HydrophobicContact CE1-CG2 4.48Å; R161-V198 PolarHBondContact N-O 3.44Å; T196-V198 HydrophobicContact CG2-CG2 3.93Å; V198-Y258 HydrophobicContact CG1-CD1 3.91Å; V198-Y258 HydrophobicContact CG1-CG 4.49Å; V198-N259 CarbonylContact C-O 3.52Å; V198-N259 WeakPolarHBondContact CA-O 3.07Å; V198-V260 HydrophobicContact CG1-CG2 4.4Å; V198-V260 HydrophobicContact CG2-CG2 4.24Å; V198-M272 HydrophobicContact CG2-CE 4.36Å; V198-M272 HydrophobicContact CG2-SD 3.88Å
199	V	97.1	Very high	94.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.3	170.5	-178.2	0	0	0	0	109.6	R161 V164 F169 Y197 Q201 Y258 N259 L261	R161-V199 CarbonylContact O-C 3.52Å; R161-V199 VanDerWaalsContact O-CA 3.27Å; R161-V199 WeakPolarHBondContact O-CA 3.37Å; V164-V199 HydrophobicContact CB-CG1 4.04Å; F169-V199 HydrophobicContact CD1-CG2 4.34Å; F169-V199 HydrophobicContact CE1-CB 4.15Å; F169-V199 HydrophobicContact CE1-CG1 3.73Å; F169-V199 HydrophobicContact CE1-CG2 4.23Å; F169-V199 HydrophobicContact CZ-CB 4.37Å; F169-V199 HydrophobicContact CZ-CG1 4.18Å; Y197-V199 HydrophobicContact CD1-CG2 4.33Å; Y197-V199 HydrophobicContact CE1-CG2 3.66Å; V199-Q201 HydrophobicContact CG1-CG 4Å; V199-Y258 CarbonylContact O-C 3.23Å; V199-Y258 WeakPolarHBondContact O-CA 3.27Å; V199-N259 HydrophobicContact CB-CB 4.42Å; V199-N259 PolarHBondContact N-O 3.49Å; V199-N259 PolarHBondContact O-N 2.91Å; V199-L261 HydrophobicContact CG2-CD1 3.47Å; V199-L261 VanDerWaalsContact CG2-CD1 3.47Å; V199-L261 HydrophobicContact CG2-CG 4Å
200	V	97.5	Very high	94.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.1	175	-172.1	0	0	0	0	108.6	F160 R161 D162 A256 K257 Y258 I292 P293 V296	F160-V200 HydrophobicContact CB-CG2 4.17Å; F160-V200 HydrophobicContact CD1-CG2 3.83Å; F160-V200 HydrophobicContact CG-CG2 4.47Å; R161-V200 PolarHBondContact O-N 2.87Å; D162-V200 WeakPolarHBondContact CA-O 3.39Å; V200-A256 HydrophobicContact CG1-CB 4.18Å; V200-K257 CarbonylContact C-O 3.54Å; V200-K257 WeakPolarHBondContact CA-O 3.32Å; V200-Y258 HydrophobicContact CG1-CE1 4.12Å; V200-Y258 HydrophobicContact CG2-CD1 3.85Å; V200-Y258 HydrophobicContact CG2-CE1 3.73Å; V200-I292 HydrophobicContact CG1-CB 4.25Å; V200-I292 HydrophobicContact CG1-CG2 3.85Å; V200-P293 HydrophobicContact CG2-CG 4.37Å; V200-V296 HydrophobicContact CG2-CG2 4.27Å
201	Q	94.8	Very high	94.3	Very high	26 Å²	26	65.2 Å²	65.2	12%	0.121	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.3	178.2	-63.4	175	-51	0	0	109.4	V164 V199 Y204 K257 N259	V164-Q201 PolarHBondContact O-NE2 3.28Å; V199-Q201 HydrophobicContact CG1-CG 4Å; Q201-Y204 VanDerWaalsContact O-CD1 3.32Å; Q201-Y204 WeakPolarHBondContact O-CD1 3.33Å; Q201-Y204 WeakPolarHBondContact O-CE1 3.07Å; Q201-K257 HydrophobicContact CB-CB 4.35Å; Q201-K257 PolarHBondContact N-O 3.28Å; Q201-K257 PolarHBondContact O-N 3.19Å; Q201-N259 PolarHBondContact OE1-ND2 3.09Å
202	K	88.6	Confident	94.1	Very high	70 Å²	70	68.2 Å²	68.2	30%	0.304	31%	0.308	S	S	.	.			trans	-102.8	-19.3	176.4	-165.8	-178.5	175.1	-179.4	0	113.4	S291 I292	K202-S291 WeakPolarHBondContact CE-OG 3.47Å; K202-S291 PolarHBondContact NZ-OG 3.44Å; K202-I292 HydrophobicContact CB-CG2 4.2Å; K202-I292 HydrophobicContact CD-CG2 4.01Å; K202-I292 HydrophobicContact CG-CG2 4.34Å
203	R	84.9	Confident	93.9	Very high	241 Å²	241	63.4 Å²	63.4	91%	0.909	30%	0.298	S	S	*	.			trans	-102.9	81.2	-174.9	-63.7	-176.5	-175.4	-171.8	1	110.4
204	Y	85.7	Confident	93.7	Very high	32 Å²	32	67.1 Å²	67.1	13%	0.125	32%	0.324	C	S	.	.			trans	-145.7	174.2	177.3	65.1	-91.6	0	0	0	110.9	Q201 A206 R207 Y242 P255 K257	Q201-Y204 VanDerWaalsContact O-CD1 3.32Å; Q201-Y204 WeakPolarHBondContact O-CD1 3.33Å; Q201-Y204 WeakPolarHBondContact O-CE1 3.07Å; Y204-A206 HydrophobicContact CD2-CB 3.84Å; Y204-A206 HydrophobicContact CE2-CB 3.68Å; Y204-A206 WeakPolarHBondContact CE2-O 3.42Å; Y204-R207 PolarHBondContact O-NH1 2.9Å; Y204-R207 PolarHBondContact O-NH2 3.01Å; Y204-Y242 HydrophobicContact CD2-CE1 4.09Å; Y204-Y242 HydrophobicContact CE1-CE1 4.4Å; Y204-Y242 AromaticContact CE2-CD1 3.92Å; Y204-Y242 HydrophobicContact CE2-CD1 3.92Å; Y204-Y242 AromaticContact CE2-CE1 3.46Å; Y204-Y242 HydrophobicContact CE2-CE1 3.46Å; Y204-Y242 VanDerWaalsContact CE2-CE1 3.46Å; Y204-Y242 AromaticContact CZ-CD1 3.66Å; Y204-Y242 AromaticContact CZ-CE1 3.61Å; Y204-Y242 WeakPolarHBondContact OH-CD1 3.41Å; Y204-P255 WeakPolarHBondContact CE1-O 3.45Å; Y204-P255 WeakPolarHBondContact OH-CB 3.41Å; Y204-P255 PolarHBondContact OH-O 3.2Å; Y204-K257 HydrophobicContact CD1-CB 4.31Å; Y204-K257 HydrophobicContact CE1-CB 4.01Å
205	H	88	Confident	93.5	Very high	181 Å²	181	71.6 Å²	71.6	84%	0.838	34%	0.343	S	S	*	.	S	Bend	trans	-91.3	-26.2	-167.8	-62.3	-75.6	0	0	0	115.1	R207	H205-R207 PolarHBondContact O-NH1 3.24Å
206	A	91.2	Very high	93.4	Very high	36 Å²	36	72.6 Å²	72.6	30%	0.298	35%	0.353	S	S	.	.			trans	-59.7	137.4	-178.9	0	0	0	0	0	113.6	Y204 F208 Y242	Y204-A206 HydrophobicContact CD2-CB 3.84Å; Y204-A206 HydrophobicContact CE2-CB 3.68Å; Y204-A206 WeakPolarHBondContact CE2-O 3.42Å; A206-F208 HydrophobicContact CB-CE2 4.31Å; A206-Y242 HydrophobicContact CB-CE1 4.39Å
207	R	93	Very high	93.2	Very high	90 Å²	90	75.2 Å²	75.2	34%	0.34	37%	0.368	S	S	.	.			trans	-132.7	150.9	177.2	-61.8	-63.8	176.2	-90.4	-12.4	108.5	Y204 H205 T252	Y204-R207 PolarHBondContact O-NH1 2.9Å; Y204-R207 PolarHBondContact O-NH2 3.01Å; H205-R207 PolarHBondContact O-NH1 3.24Å; R207-T252 HydrophobicContact CB-CG2 4.35Å; R207-T252 HydrophobicContact CG-CG2 4.47Å
208	F	94.3	Very high	92.8	Very high	37 Å²	37	77.7 Å²	77.7	16%	0.162	39%	0.394	C	S	.	.			trans	-132.1	143.2	-175.4	-63.4	-85.3	0	0	0	109	A206 I223 I229 V233 Y242 P255	A206-F208 HydrophobicContact CB-CE2 4.31Å; F208-I223 HydrophobicContact CB-CD1 3.92Å; F208-I223 HydrophobicContact CB-CG2 4.35Å; F208-I229 HydrophobicContact CD1-CD1 3.92Å; F208-I229 HydrophobicContact CD1-CG1 3.92Å; F208-I229 HydrophobicContact CD2-CD1 4.13Å; F208-I229 HydrophobicContact CE1-CB 4.15Å; F208-I229 HydrophobicContact CE1-CD1 4.04Å; F208-I229 HydrophobicContact CE1-CG1 3.84Å; F208-I229 HydrophobicContact CE1-CG2 3.98Å; F208-I229 HydrophobicContact CE2-CD1 4.22Å; F208-I229 HydrophobicContact CG-CD1 3.96Å; F208-I229 HydrophobicContact CG-CG1 4.46Å; F208-I229 HydrophobicContact CZ-CB 4.36Å; F208-I229 HydrophobicContact CZ-CD1 4.17Å; F208-I229 HydrophobicContact CZ-CG1 4.3Å; F208-I229 HydrophobicContact CZ-CG2 4.43Å; F208-V233 HydrophobicContact CE1-CG2 3.93Å; F208-V233 HydrophobicContact CZ-CG2 4.12Å; F208-Y242 AromaticContact CE2-CD1 3.96Å; F208-Y242 HydrophobicContact CE2-CD1 3.96Å; F208-Y242 HydrophobicContact CE2-CD2 4.16Å; F208-Y242 HydrophobicContact CE2-CE1 4.4Å; F208-Y242 AromaticContact CE2-CG 3.78Å; F208-Y242 HydrophobicContact CE2-CG 3.78Å; F208-Y242 HydrophobicContact CZ-CD1 4.27Å; F208-Y242 AromaticContact CZ-CD2 3.66Å; F208-Y242 HydrophobicContact CZ-CD2 3.66Å; F208-Y242 HydrophobicContact CZ-CE2 4.03Å; F208-Y242 AromaticContact CZ-CG 3.77Å; F208-Y242 HydrophobicContact CZ-CG 3.77Å; F208-P255 HydrophobicContact CD2-CG 3.75Å; F208-P255 HydrophobicContact CE2-CG 4.34Å
209	M	93.8	Very high	92.4	Very high	152 Å²	152	89.6 Å²	89.6	75%	0.749	44%	0.439	S	S	*	.			trans	-133.6	153.1	179.8	-59	-177.1	-164.3	0	0	108.8
210	C	94.5	Very high	92.1	Very high	26 Å²	26	90.8 Å²	90.8	18%	0.176	45%	0.451	C	S	.	.			trans	-69.2	133	172.1	-61.8	0	0	0	0	109.1	D212 L215 A216	C210-D212 WeakPolarHBondContact CB-O 3.38Å; C210-L215 HydrophobicContact CB-CB 4.49Å; C210-A216 HydrophobicContact CB-CB 4.42Å
211	K	93.5	Very high	91.9	Very high	220 Å²	220	97.4 Å²	97.4	96%	0.957	48%	0.476	S	S	*	.	S	Bend	trans	-69	-41.1	169.9	-178.8	-178.6	176.4	-175.1	0	110.7
212	D	94.2	Very high	91.9	Very high	86 Å²	86	96.3 Å²	96.3	46%	0.46	47%	0.471	S	S	.	.	S	Bend	trans	-93.4	115.9	170.6	-178	1.9	0	0	0	109.4	C210 S214 L215	C210-D212 WeakPolarHBondContact CB-O 3.38Å; D212-S214 PolarHBondContact O-N 3.48Å; D212-S214 WeakPolarHBondContact OD1-CB 3.43Å; D212-S214 PolarHBondContact OD1-N 3.17Å; D212-S214 PolarHBondContact OD1-OG 3.32Å; D212-S214 VanDerWaalsContact OD1-OG 3.07Å; D212-S214 PolarHBondContact OD2-OG 3.01Å; D212-L215 HydrophobicContact CB-CD1 4.38Å; D212-L215 HydrophobicContact CB-CG 4.44Å; D212-L215 PolarHBondContact O-N 3.4Å
213	D	91.4	Very high	92.3	Very high	100 Å²	100	93.4 Å²	93.4	54%	0.535	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-61.4	-23.2	179.3	-91.9	-26.7	0	0	0	113.7	L215 A216 R221	D213-L215 PolarHBondContact O-N 2.88Å; D213-A216 WeakPolarHBondContact O-CB 3.46Å; D213-A216 PolarHBondContact O-N 3.04Å; D213-R221 IonicContact OD1-CZ 3.14Å; D213-R221 IonicContact OD1-NE 3.24Å; D213-R221 IonicContact OD1-NH2 2.67Å; D213-R221 PolarHBondContact OD1-NH2 2.77Å; D213-R221 IonicContact OD2-NH2 3.85Å; D213-R221 PolarHBondContact OD2-NH2 2.94Å
214	S	94.5	Very high	92.8	Very high	92 Å²	92	84.2 Å²	84.2	64%	0.643	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25	177.2	79.7	0	0	0	0	113.2	D212	D212-S214 PolarHBondContact O-N 3.48Å; D212-S214 WeakPolarHBondContact OD1-CB 3.43Å; D212-S214 PolarHBondContact OD1-N 3.17Å; D212-S214 PolarHBondContact OD1-OG 3.32Å; D212-S214 VanDerWaalsContact OD1-OG 3.07Å; D212-S214 PolarHBondContact OD2-OG 3.01Å
215	L	94.8	Very high	93.4	Very high	110 Å²	110	84.4 Å²	84.4	58%	0.576	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-88.1	-7.5	179.3	-60.9	178.3	0	0	0	113	C210 D212 D213	C210-L215 HydrophobicContact CB-CB 4.49Å; D212-L215 HydrophobicContact CB-CD1 4.38Å; D212-L215 HydrophobicContact CB-CG 4.44Å; D212-L215 PolarHBondContact O-N 3.4Å; D213-L215 PolarHBondContact O-N 2.88Å
216	A	94.6	Very high	93.8	Very high	25 Å²	25	77 Å²	77	21%	0.207	41%	0.412	C	S	.	.			trans	-73	135.2	-177	0	0	0	0	0	111.4	C210 D213 R221 N222	C210-A216 HydrophobicContact CB-CB 4.42Å; D213-A216 WeakPolarHBondContact O-CB 3.46Å; D213-A216 PolarHBondContact O-N 3.04Å; A216-R221 HydrophobicContact CB-CB 3.94Å; A216-N222 WeakPolarHBondContact CA-O 3.47Å
217	V	94.4	Very high	94.1	Very high	55 Å²	55	77.1 Å²	77.1	33%	0.333	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-107.5	133.5	-172.8	-177.3	0	0	0	0	111.9	N222 P224 T247	V217-N222 PolarHBondContact N-O 2.99Å; V217-N222 PolarHBondContact O-N 3.12Å; V217-N222 VanDerWaalsContact O-N 3.08Å; V217-P224 HydrophobicContact CG2-CB 3.94Å; V217-T247 HydrophobicContact CG1-CG2 4.11Å
218	G	90.6	Very high	94.3	Very high	52 Å²	52	75.4 Å²	75.4	54%	0.536	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-179.2	171.4	0	0	0	0	0	114.2	G220 R221	G218-G220 PolarHBondContact O-N 3.28Å; G218-R221 PolarHBondContact O-N 3.36Å
219	R	89.4	Confident	94.4	Very high	250 Å²	250	75 Å²	75	94%	0.943	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.6	-177.6	-70.1	-176	177.2	-179.6	-1.5	113.4	R221	R219-R221 VanDerWaalsContact C-N 3.27Å; R219-R221 PolarHBondContact O-N 2.84Å
220	G	89.7	Confident	94.5	Very high	26 Å²	26	70.4 Å²	70.4	27%	0.268	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.2	178.5	0	0	0	0	0	114.8	G218 N222	G218-G220 PolarHBondContact O-N 3.28Å; G220-N222 VanDerWaalsContact C-N 3.27Å; G220-N222 PolarHBondContact O-N 3.37Å
221	R	93.5	Very high	94.5	Very high	138 Å²	138	78.1 Å²	78.1	52%	0.521	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	46.8	-177.3	-55.4	-178.8	68.7	104.8	3.8	112.4	D213 A216 G218 R219	D213-R221 IonicContact OD1-CZ 3.14Å; D213-R221 IonicContact OD1-NE 3.24Å; D213-R221 IonicContact OD1-NH2 2.67Å; D213-R221 PolarHBondContact OD1-NH2 2.77Å; D213-R221 IonicContact OD2-NH2 3.85Å; D213-R221 PolarHBondContact OD2-NH2 2.94Å; A216-R221 HydrophobicContact CB-CB 3.94Å; G218-R221 PolarHBondContact O-N 3.36Å; R219-R221 VanDerWaalsContact C-N 3.27Å; R219-R221 PolarHBondContact O-N 2.84Å
222	N	95.8	Very high	94.3	Very high	4 Å²	4	79.6 Å²	79.6	2%	0.021	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-83	159.8	-175.3	-77	-62.5	0	0	0	112.2	A216 V217 G220 G251 T252 S253	A216-N222 WeakPolarHBondContact CA-O 3.47Å; V217-N222 PolarHBondContact N-O 2.99Å; V217-N222 PolarHBondContact O-N 3.12Å; V217-N222 VanDerWaalsContact O-N 3.08Å; G220-N222 VanDerWaalsContact C-N 3.27Å; G220-N222 PolarHBondContact O-N 3.37Å; N222-G251 PolarHBondContact ND2-O 3.15Å; N222-G251 PolarHBondContact OD1-O 3.14Å; N222-T252 VanDerWaalsContact OD1-CA 3.31Å; N222-T252 WeakPolarHBondContact OD1-CA 3.49Å; N222-S253 PolarHBondContact OD1-N 3.07Å; N222-S253 PolarHBondContact OD1-OG 3.48Å
223	I	96.6	Very high	94.2	Very high	8 Å²	8	79.4 Å²	79.4	4%	0.041	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-59	145.4	164.2	65.4	-176.1	0	0	0	110.5	F208 T227 C244 P255	F208-I223 HydrophobicContact CB-CD1 3.92Å; F208-I223 HydrophobicContact CB-CG2 4.35Å; I223-T227 HydrophobicContact CB-CG2 4.45Å; I223-T227 HydrophobicContact CD1-CG2 4.08Å; I223-C244 HydrophobicContact CD1-CB 3.48Å; I223-C244 VanDerWaalsContact CD1-CB 3.48Å; I223-C244 HydrophobicContact CG1-CB 3.87Å; I223-P255 HydrophobicContact CD1-CG 3.86Å
224	P	96.3	Very high	94.3	Very high	48 Å²	48	76 Å²	76	31%	0.312	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-64.2	156.4	-179.7	24.7	-32.5	0	0	0	112.3	V217 G226 T227	V217-P224 HydrophobicContact CG2-CB 3.94Å; P224-G226 PolarHBondContact O-N 2.97Å; P224-T227 WeakPolarHBondContact CD-OG1 3.48Å; P224-T227 PolarHBondContact O-N 2.98Å; P224-T227 PolarHBondContact O-OG1 3.5Å
225	A	96.6	Very high	94	Very high	36 Å²	36	73.8 Å²	73.8	30%	0.298	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	135	171.3	0	0	0	0	0	109.6	C244	A225-C244 CarbonylContact C-O 3.57Å; A225-C244 WeakPolarHBondContact CA-O 3.27Å
226	G	97.1	Very high	93.6	Very high	27 Å²	27	74.7 Å²	74.7	28%	0.278	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-1.9	-175	0	0	0	0	0	114.7	P224 V228 C244 Y277	P224-G226 PolarHBondContact O-N 2.97Å; G226-V228 PolarHBondContact O-N 2.93Å; G226-C244 PolarHBondContact N-O 2.65Å; G226-Y277 VanDerWaalsContact CA-CE2 3.46Å
227	T	97.4	Very high	92.9	Very high	38 Å²	38	81.6 Å²	81.6	23%	0.233	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	124.8	173.3	-58.3	0	0	0	0	111	I223 P224 I229 L243 C244	I223-T227 HydrophobicContact CB-CG2 4.45Å; I223-T227 HydrophobicContact CD1-CG2 4.08Å; P224-T227 WeakPolarHBondContact CD-OG1 3.48Å; P224-T227 PolarHBondContact O-N 2.98Å; P224-T227 PolarHBondContact O-OG1 3.5Å; T227-I229 HydrophobicContact CG2-CD1 3.93Å; T227-L243 WeakPolarHBondContact O-CA 3.4Å; T227-C244 PolarHBondContact O-N 3.01Å
228	V	97.7	Very high	92.3	Very high	53 Å²	53	81 Å²	81	32%	0.321	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.4	174.9	178.1	0	0	0	0	109.7	G226 D230 F241 Y242 L243 Q273	G226-V228 PolarHBondContact O-N 2.93Å; V228-D230 HydrophobicContact CG1-CB 4.45Å; V228-F241 HydrophobicContact CG1-CD2 4.47Å; V228-Y242 CarbonylContact C-O 3.48Å; V228-Y242 VanDerWaalsContact CA-O 3.29Å; V228-Y242 WeakPolarHBondContact CA-O 3.16Å; V228-L243 HydrophobicContact CG2-CD1 3.74Å; V228-Q273 HydrophobicContact CG1-CG 4.05Å
229	I	96.5	Very high	92.5	Very high	30 Å²	30	81.8 Å²	81.8	15%	0.154	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	107.4	171.9	-51	90.9	0	0	0	108.3	F208 T227 V233 F241 Y242	F208-I229 HydrophobicContact CD1-CD1 3.92Å; F208-I229 HydrophobicContact CD1-CG1 3.92Å; F208-I229 HydrophobicContact CD2-CD1 4.13Å; F208-I229 HydrophobicContact CE1-CB 4.15Å; F208-I229 HydrophobicContact CE1-CD1 4.04Å; F208-I229 HydrophobicContact CE1-CG1 3.84Å; F208-I229 HydrophobicContact CE1-CG2 3.98Å; F208-I229 HydrophobicContact CE2-CD1 4.22Å; F208-I229 HydrophobicContact CG-CD1 3.96Å; F208-I229 HydrophobicContact CG-CG1 4.46Å; F208-I229 HydrophobicContact CZ-CB 4.36Å; F208-I229 HydrophobicContact CZ-CD1 4.17Å; F208-I229 HydrophobicContact CZ-CG1 4.3Å; F208-I229 HydrophobicContact CZ-CG2 4.43Å; T227-I229 HydrophobicContact CG2-CD1 3.93Å; I229-V233 HydrophobicContact CG2-CG2 3.6Å; I229-F241 WeakPolarHBondContact O-CA 3.23Å; I229-Y242 HydrophobicContact CB-CD2 4.43Å; I229-Y242 PolarHBondContact N-O 3.46Å; I229-Y242 PolarHBondContact O-N 3.36Å
230	D	95.7	Very high	92.8	Very high	54 Å²	54	70.3 Å²	70.3	29%	0.289	38%	0.375	S	S	.	.			trans	-120.8	6.7	-178.1	66.3	-13.9	0	0	0	113.2	V228 T234 F241 Q273	V228-D230 HydrophobicContact CG1-CB 4.45Å; D230-T234 VanDerWaalsContact C-OG1 3.32Å; D230-T234 PolarHBondContact O-OG1 2.8Å; D230-F241 HydrophobicContact CB-CB 3.89Å; D230-Q273 PolarHBondContact OD2-NE2 2.98Å
231	R	93.2	Very high	93.2	Very high	189 Å²	189	69.1 Å²	69.1	71%	0.713	36%	0.363	S	S	*	.	S	Bend	trans	-130.9	156.1	-177.2	-65	172.8	-162.8	-165.4	1.9	112.3	V233	R231-V233 PolarHBondContact O-N 3.29Å
232	R	90.4	Very high	93.3	Very high	251 Å²	251	63.5 Å²	63.5	95%	0.947	34%	0.342	S	S	*	.	S	Bend	trans	66.9	-41	172.5	-56.2	-176.5	176.9	-167.9	-1.8	116.4
233	V	92.3	Very high	93.4	Very high	82 Å²	82	63.4 Å²	63.4	50%	0.497	34%	0.341	S	S	.	.	S	Bend	trans	-112.3	3.3	-177	-60.4	0	0	0	0	113	F208 I229 R231 Y242	F208-V233 HydrophobicContact CE1-CG2 3.93Å; F208-V233 HydrophobicContact CZ-CG2 4.12Å; I229-V233 HydrophobicContact CG2-CG2 3.6Å; R231-V233 PolarHBondContact O-N 3.29Å; V233-Y242 HydrophobicContact CG2-CD2 4.4Å; V233-Y242 HydrophobicContact CG2-CE2 4.2Å
234	T	92.8	Very high	93.5	Very high	27 Å²	27	63 Å²	63	17%	0.166	34%	0.339	C	S	.	.	S	Bend	trans	-87.7	170.5	172.1	43	0	0	0	0	110.4	D230 D240 Y242	D230-T234 VanDerWaalsContact C-OG1 3.32Å; D230-T234 PolarHBondContact O-OG1 2.8Å; T234-D240 WeakPolarHBondContact CB-OD1 3.39Å; T234-D240 WeakPolarHBondContact CG2-O 2.99Å; T234-Y242 HydrophobicContact CG2-CD2 4.3Å; T234-Y242 HydrophobicContact CG2-CE2 4.36Å
235	S	89.7	Confident	93.5	Very high	46 Å²	46	60.7 Å²	60.7	32%	0.322	32%	0.324	S	S	.	.			trans	-65.3	133.2	-178.8	-55.4	0	0	0	0	109.8	D237 G238 D240	S235-D237 VanDerWaalsContact C-N 3.29Å; S235-D237 PolarHBondContact O-N 2.81Å; S235-G238 PolarHBondContact O-N 3.13Å; S235-D240 VanDerWaalsContact CB-OD1 3.27Å; S235-D240 WeakPolarHBondContact CB-OD1 3.31Å; S235-D240 PolarHBondContact N-OD1 2.58Å; S235-D240 PolarHBondContact N-OD2 2.85Å; S235-D240 VanDerWaalsContact OG-CG 3.27Å; S235-D240 PolarHBondContact OG-OD1 2.88Å; S235-D240 PolarHBondContact OG-OD2 3.45Å
236	P	85.8	Confident	93.5	Very high	129 Å²	129	60.7 Å²	60.7	84%	0.838	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-40.9	-175.3	-27.6	34.5	0	0	0	114.2
237	D	80.5	Confident	93.4	Very high	170 Å²	170	62.2 Å²	62.2	91%	0.909	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	7.3	-177.9	-54.1	-51.6	0	0	0	112.7	S235	S235-D237 VanDerWaalsContact C-N 3.29Å; S235-D237 PolarHBondContact O-N 2.81Å
238	G	81.7	Confident	93.1	Very high	42 Å²	42	60.8 Å²	60.8	43%	0.433	31%	0.314	S	S	.	.	S	Bend	trans	-94.3	155.2	-175.2	0	0	0	0	0	112.6	S235 D240	S235-G238 PolarHBondContact O-N 3.13Å; G238-D240 PolarHBondContact O-N 3.42Å
239	Y	93.5	Very high	92.8	Very high	70 Å²	70	64 Å²	64	28%	0.275	33%	0.329	S	S	.	.			trans	-95.3	76.1	164.4	-172.5	-179.4	0	0	0	108.7	V260 L267 K268 A269 M272	Y239-V260 HydrophobicContact CD1-CB 3.59Å; Y239-V260 HydrophobicContact CD1-CG1 3.68Å; Y239-V260 HydrophobicContact CD1-CG2 3.96Å; Y239-V260 HydrophobicContact CD2-CB 4.26Å; Y239-V260 HydrophobicContact CD2-CG2 3.99Å; Y239-V260 HydrophobicContact CE1-CB 4.09Å; Y239-V260 HydrophobicContact CE1-CG1 3.95Å; Y239-V260 HydrophobicContact CE1-CG2 4.05Å; Y239-V260 HydrophobicContact CE2-CG2 4.06Å; Y239-V260 HydrophobicContact CG-CB 3.69Å; Y239-V260 HydrophobicContact CG-CG1 4.31Å; Y239-V260 HydrophobicContact CG-CG2 3.94Å; Y239-V260 WeakPolarHBondContact O-CB 3.46Å; Y239-V260 PolarHBondContact O-N 3.12Å; Y239-L267 PolarHBondContact OH-O 2.93Å; Y239-K268 VanDerWaalsContact OH-C 3.28Å; Y239-K268 PolarHBondContact OH-O 2.82Å; Y239-A269 HydrophobicContact CE2-CB 4.24Å; Y239-A269 VanDerWaalsContact OH-CA 3.25Å; Y239-A269 WeakPolarHBondContact OH-CA 3.47Å; Y239-A269 PolarHBondContact OH-N 3.04Å; Y239-M272 VanDerWaalsContact OH-CB 3.26Å; Y239-M272 WeakPolarHBondContact OH-CB 3.41Å
240	D	95.6	Very high	92.6	Very high	8 Å²	8	71.1 Å²	71.1	4%	0.043	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154	177.5	68.2	-32.4	0	0	0	113.1	T234 S235 G238 K257 Y258 N259	T234-D240 WeakPolarHBondContact CB-OD1 3.39Å; T234-D240 WeakPolarHBondContact CG2-O 2.99Å; S235-D240 VanDerWaalsContact CB-OD1 3.27Å; S235-D240 WeakPolarHBondContact CB-OD1 3.31Å; S235-D240 PolarHBondContact N-OD1 2.58Å; S235-D240 PolarHBondContact N-OD2 2.85Å; S235-D240 VanDerWaalsContact OG-CG 3.27Å; S235-D240 PolarHBondContact OG-OD1 2.88Å; S235-D240 PolarHBondContact OG-OD2 3.45Å; G238-D240 PolarHBondContact O-N 3.42Å; D240-K257 WeakPolarHBondContact OD2-CE 3.38Å; D240-K257 IonicContact OD2-NZ 3.36Å; D240-K257 PolarHBondContact OD2-NZ 3.44Å; D240-Y258 CarbonylContact C-O 3.58Å; D240-Y258 WeakPolarHBondContact CA-O 3.43Å; D240-Y258 VanDerWaalsContact CB-O 3.3Å; D240-Y258 WeakPolarHBondContact CB-O 3.5Å; D240-N259 HydrophobicContact CB-CB 4.47Å; D240-N259 WeakPolarHBondContact CB-OD1 3.33Å
241	F	97.5	Very high	92.4	Very high	1 Å²	1	70.6 Å²	70.6	0%	0.004	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.9	176.5	60.9	-87.2	0	0	0	111	V228 I229 D230 L243 Y258 V260 M272 Q273 A276	V228-F241 HydrophobicContact CG1-CD2 4.47Å; I229-F241 WeakPolarHBondContact O-CA 3.23Å; D230-F241 HydrophobicContact CB-CB 3.89Å; F241-L243 HydrophobicContact CD2-CB 4.23Å; F241-L243 HydrophobicContact CE2-CB 4.16Å; F241-Y258 HydrophobicContact CD2-CD2 4.09Å; F241-Y258 HydrophobicContact CD2-CG 4.34Å; F241-Y258 HydrophobicContact CE1-CG 4.39Å; F241-Y258 HydrophobicContact CE2-CD1 4.39Å; F241-Y258 AromaticContact CE2-CD2 3.62Å; F241-Y258 HydrophobicContact CE2-CD2 3.62Å; F241-Y258 HydrophobicContact CE2-CE2 4.37Å; F241-Y258 AromaticContact CE2-CG 3.65Å; F241-Y258 HydrophobicContact CE2-CG 3.65Å; F241-Y258 VanDerWaalsContact CZ-CB 3.46Å; F241-Y258 HydrophobicContact CZ-CD1 4.18Å; F241-Y258 HydrophobicContact CZ-CD2 4.17Å; F241-Y258 AromaticContact CZ-CG 3.69Å; F241-Y258 HydrophobicContact CZ-CG 3.69Å; F241-Y258 PolarHBondContact N-O 2.83Å; F241-Y258 PolarHBondContact O-N 3.38Å; F241-V260 HydrophobicContact CE1-CG2 4.43Å; F241-M272 HydrophobicContact CE1-CG 4.05Å; F241-M272 HydrophobicContact CZ-CG 4.34Å; F241-Q273 HydrophobicContact CD1-CG 4.04Å; F241-Q273 HydrophobicContact CD2-CG 3.84Å; F241-Q273 HydrophobicContact CE1-CG 4.12Å; F241-Q273 HydrophobicContact CE2-CB 4.37Å; F241-Q273 HydrophobicContact CE2-CG 3.91Å; F241-Q273 HydrophobicContact CG-CG 3.9Å; F241-Q273 HydrophobicContact CZ-CG 4.05Å; F241-A276 HydrophobicContact CE2-CB 4.21Å; F241-A276 HydrophobicContact CZ-CB 4.06Å
242	Y	97.4	Very high	92.4	Very high	21 Å²	21	64.9 Å²	64.9	8%	0.082	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.1	168.4	-61.8	-84.8	0	0	0	109.8	Y204 A206 F208 V228 I229 V233 T234 A256 K257	Y204-Y242 HydrophobicContact CD2-CE1 4.09Å; Y204-Y242 HydrophobicContact CE1-CE1 4.4Å; Y204-Y242 AromaticContact CE2-CD1 3.92Å; Y204-Y242 HydrophobicContact CE2-CD1 3.92Å; Y204-Y242 AromaticContact CE2-CE1 3.46Å; Y204-Y242 HydrophobicContact CE2-CE1 3.46Å; Y204-Y242 VanDerWaalsContact CE2-CE1 3.46Å; Y204-Y242 AromaticContact CZ-CD1 3.66Å; Y204-Y242 AromaticContact CZ-CE1 3.61Å; Y204-Y242 WeakPolarHBondContact OH-CD1 3.41Å; A206-Y242 HydrophobicContact CB-CE1 4.39Å; F208-Y242 AromaticContact CE2-CD1 3.96Å; F208-Y242 HydrophobicContact CE2-CD1 3.96Å; F208-Y242 HydrophobicContact CE2-CD2 4.16Å; F208-Y242 HydrophobicContact CE2-CE1 4.4Å; F208-Y242 AromaticContact CE2-CG 3.78Å; F208-Y242 HydrophobicContact CE2-CG 3.78Å; F208-Y242 HydrophobicContact CZ-CD1 4.27Å; F208-Y242 AromaticContact CZ-CD2 3.66Å; F208-Y242 HydrophobicContact CZ-CD2 3.66Å; F208-Y242 HydrophobicContact CZ-CE2 4.03Å; F208-Y242 AromaticContact CZ-CG 3.77Å; F208-Y242 HydrophobicContact CZ-CG 3.77Å; V228-Y242 CarbonylContact C-O 3.48Å; V228-Y242 VanDerWaalsContact CA-O 3.29Å; V228-Y242 WeakPolarHBondContact CA-O 3.16Å; I229-Y242 HydrophobicContact CB-CD2 4.43Å; I229-Y242 PolarHBondContact N-O 3.46Å; I229-Y242 PolarHBondContact O-N 3.36Å; V233-Y242 HydrophobicContact CG2-CD2 4.4Å; V233-Y242 HydrophobicContact CG2-CE2 4.2Å; T234-Y242 HydrophobicContact CG2-CD2 4.3Å; T234-Y242 HydrophobicContact CG2-CE2 4.36Å; Y242-A256 CarbonylContact C-O 3.2Å; Y242-A256 WeakPolarHBondContact CA-O 3.42Å; Y242-K257 HydrophobicContact CD1-CB 3.76Å; Y242-K257 HydrophobicContact CD1-CG 4.05Å; Y242-K257 HydrophobicContact CE1-CB 3.61Å; Y242-K257 HydrophobicContact CE1-CD 3.9Å; Y242-K257 HydrophobicContact CE1-CG 3.7Å
243	L	97.9	Very high	92.5	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122	174.5	165.9	67.8	0	0	0	110.2	T227 V228 F241 S245 A256 Y258 A276 Y277	T227-L243 WeakPolarHBondContact O-CA 3.4Å; V228-L243 HydrophobicContact CG2-CD1 3.74Å; F241-L243 HydrophobicContact CD2-CB 4.23Å; F241-L243 HydrophobicContact CE2-CB 4.16Å; L243-S245 PolarHBondContact O-N 3.21Å; L243-A256 PolarHBondContact N-O 2.9Å; L243-A256 PolarHBondContact O-N 2.93Å; L243-Y258 HydrophobicContact CB-CD2 4.13Å; L243-Y258 HydrophobicContact CB-CE2 3.74Å; L243-Y258 HydrophobicContact CD2-CE2 4.08Å; L243-Y258 HydrophobicContact CG-CE2 4.37Å; L243-A276 HydrophobicContact CD2-CB 3.96Å; L243-Y277 HydrophobicContact CD1-CD2 3.94Å; L243-Y277 HydrophobicContact CD1-CG 4.45Å; L243-Y277 HydrophobicContact CD2-CD2 4.43Å
244	C	97.4	Very high	92.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	79.4	170.4	-166.1	0	0	0	0	110	I223 A225 G226 T227 H246 P255	I223-C244 HydrophobicContact CD1-CB 3.48Å; I223-C244 VanDerWaalsContact CD1-CB 3.48Å; I223-C244 HydrophobicContact CG1-CB 3.87Å; A225-C244 CarbonylContact C-O 3.57Å; A225-C244 WeakPolarHBondContact CA-O 3.27Å; G226-C244 PolarHBondContact N-O 2.65Å; T227-C244 PolarHBondContact O-N 3.01Å; C244-H246 PolarHBondContact O-N 3.12Å; C244-P255 HydrophobicContact CB-CB 4.08Å; C244-P255 HydrophobicContact CB-CG 3.87Å
245	S	97.4	Very high	92.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.301	C	S	.	.			trans	-74	-8.7	-173.6	55	0	0	0	0	115	L243 C280 S289 V290 S291	L243-S245 PolarHBondContact O-N 3.21Å; S245-C280 VanDerWaalsContact CB-SG 3.55Å; S245-S289 WeakPolarHBondContact O-CB 3.47Å; S245-S289 PolarHBondContact O-OG 2.85Å; S245-V290 WeakPolarHBondContact CB-O 3.37Å; S245-V290 PolarHBondContact OG-O 3.37Å; S245-S291 VanDerWaalsContact OG-CA 3.28Å; S245-S291 WeakPolarHBondContact OG-CA 3.28Å; S245-S291 PolarHBondContact OG-O 3.3Å
246	H	95.6	Very high	93	Very high	35 Å²	35	50.7 Å²	50.7	16%	0.162	29%	0.286	C	S	.	.	S	Bend	trans	-125.3	153.9	-170.9	65.8	-68.9	0	0	0	112.1	C244 K254 S291	C244-H246 PolarHBondContact O-N 3.12Å; H246-K254 PolarHBondContact CE1-O 3.03Å; H246-S291 WeakPolarHBondContact ND1-CA 3.47Å; H246-S291 WeakPolarHBondContact ND1-CB 3.4Å
247	T	95.1	Very high	93.5	Very high	60 Å²	60	45.3 Å²	45.3	37%	0.368	25%	0.249	S	C	.	.			trans	-76.4	125.4	171.1	-44	0	0	0	0	110.4	V217 I249	V217-T247 HydrophobicContact CG1-CG2 4.11Å; T247-I249 PolarHBondContact O-N 3.4Å
248	G	92.2	Very high	94.3	Very high	7 Å²	7	37.2 Å²	37.2	7%	0.072	21%	0.206	C	C	.	.			trans	-70.7	112.9	174.6	0	0	0	0	0	112.1	S253	G248-S253 WeakPolarHBondContact CA-OG 3.36Å; G248-S253 PolarHBondContact N-OG 3.44Å
249	I	91	Very high	95	Very high	122 Å²	122	35.7 Å²	35.7	63%	0.626	19%	0.188	S	C	*	.			trans	-79.7	-44.9	179.8	-61.8	173.5	0	0	0	111.1	T247	T247-I249 PolarHBondContact O-N 3.4Å
250	Q	91.2	Very high	95.2	Very high	179 Å²	179	33 Å²	33	84%	0.836	18%	0.179	S	C	*	.	S	Bend	trans	-146.3	146.1	-175.9	-177.1	178.5	-8.9	0	0	110
251	G	92	Very high	95.2	Very high	43 Å²	43	35 Å²	35	44%	0.443	19%	0.189	S	C	.	.	S	Bend	trans	63.7	-160.9	-176.7	0	0	0	0	0	112.1	N222	N222-G251 PolarHBondContact ND2-O 3.15Å; N222-G251 PolarHBondContact OD1-O 3.14Å
252	T	92.5	Very high	95.2	Very high	69 Å²	69	36 Å²	36	42%	0.423	20%	0.196	S	C	.	.			trans	-89.7	124.8	177.9	-46.5	0	0	0	0	111	R207 N222	R207-T252 HydrophobicContact CB-CG2 4.35Å; R207-T252 HydrophobicContact CG-CG2 4.47Å; N222-T252 VanDerWaalsContact OD1-CA 3.31Å; N222-T252 WeakPolarHBondContact OD1-CA 3.49Å
253	S	93.1	Very high	95.2	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.042	20%	0.2	C	C	.	.			trans	-54	138	172.2	-71.4	0	0	0	0	110.1	N222 G248 P255	N222-S253 PolarHBondContact OD1-N 3.07Å; N222-S253 PolarHBondContact OD1-OG 3.48Å; G248-S253 WeakPolarHBondContact CA-OG 3.36Å; G248-S253 PolarHBondContact N-OG 3.44Å; S253-P255 WeakPolarHBondContact O-CD 3.5Å
254	K	93.4	Very high	95.1	Very high	102 Å²	102	39.9 Å²	39.9	44%	0.443	22%	0.218	S	C	.	.			trans	-106.7	103.8	170.8	-57.6	-171.1	-173.7	-177.3	0	107.1	H246	H246-K254 PolarHBondContact CE1-O 3.03Å
255	P	95	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-55.9	165.9	171.1	-26.5	39.8	0	0	0	110.3	Y204 F208 I223 C244 S253	Y204-P255 WeakPolarHBondContact CE1-O 3.45Å; Y204-P255 WeakPolarHBondContact OH-CB 3.41Å; Y204-P255 PolarHBondContact OH-O 3.2Å; F208-P255 HydrophobicContact CD2-CG 3.75Å; F208-P255 HydrophobicContact CE2-CG 4.34Å; I223-P255 HydrophobicContact CD1-CG 3.86Å; C244-P255 HydrophobicContact CB-CB 4.08Å; C244-P255 HydrophobicContact CB-CG 3.87Å; S253-P255 WeakPolarHBondContact O-CD 3.5Å
256	A	96.6	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.2	168.1	0	0	0	0	0	108.6	V200 Y242 L243 Y258 I292	V200-A256 HydrophobicContact CG1-CB 4.18Å; Y242-A256 CarbonylContact C-O 3.2Å; Y242-A256 WeakPolarHBondContact CA-O 3.42Å; L243-A256 PolarHBondContact N-O 2.9Å; L243-A256 PolarHBondContact O-N 2.93Å; A256-Y258 HydrophobicContact CB-CD2 4.37Å; A256-Y258 HydrophobicContact CB-CE2 3.61Å; A256-Y258 WeakPolarHBondContact O-CD2 3.28Å; A256-I292 HydrophobicContact CB-CG2 3.92Å
257	K	96.5	Very high	95.1	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.065	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.2	170.1	-170.2	-178.5	178.1	-176.9	0	108.3	E166 V200 Q201 Y204 D240 Y242 N259	E166-K257 IonicContact OE1-NZ 2.88Å; E166-K257 PolarHBondContact OE1-NZ 3.47Å; V200-K257 CarbonylContact C-O 3.54Å; V200-K257 WeakPolarHBondContact CA-O 3.32Å; Q201-K257 HydrophobicContact CB-CB 4.35Å; Q201-K257 PolarHBondContact N-O 3.28Å; Q201-K257 PolarHBondContact O-N 3.19Å; Y204-K257 HydrophobicContact CD1-CB 4.31Å; Y204-K257 HydrophobicContact CE1-CB 4.01Å; D240-K257 WeakPolarHBondContact OD2-CE 3.38Å; D240-K257 IonicContact OD2-NZ 3.36Å; D240-K257 PolarHBondContact OD2-NZ 3.44Å; Y242-K257 HydrophobicContact CD1-CB 3.76Å; Y242-K257 HydrophobicContact CD1-CG 4.05Å; Y242-K257 HydrophobicContact CE1-CB 3.61Å; Y242-K257 HydrophobicContact CE1-CD 3.9Å; Y242-K257 HydrophobicContact CE1-CG 3.7Å; K257-N259 VanDerWaalsContact CE-OD1 3.27Å; K257-N259 WeakPolarHBondContact CE-OD1 3.22Å
258	Y	97.7	Very high	95.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.9	176.9	-67.1	-102.2	0	0	0	107.5	F160 V198 V199 V200 D240 F241 L243 A256 A276 P293	F160-Y258 HydrophobicContact CD1-CE1 4.38Å; F160-Y258 HydrophobicContact CE1-CD1 4.36Å; F160-Y258 HydrophobicContact CE1-CE1 4.21Å; V198-Y258 HydrophobicContact CG1-CD1 3.91Å; V198-Y258 HydrophobicContact CG1-CG 4.49Å; V199-Y258 CarbonylContact O-C 3.23Å; V199-Y258 WeakPolarHBondContact O-CA 3.27Å; V200-Y258 HydrophobicContact CG1-CE1 4.12Å; V200-Y258 HydrophobicContact CG2-CD1 3.85Å; V200-Y258 HydrophobicContact CG2-CE1 3.73Å; D240-Y258 CarbonylContact C-O 3.58Å; D240-Y258 WeakPolarHBondContact CA-O 3.43Å; D240-Y258 VanDerWaalsContact CB-O 3.3Å; D240-Y258 WeakPolarHBondContact CB-O 3.5Å; F241-Y258 HydrophobicContact CD2-CD2 4.09Å; F241-Y258 HydrophobicContact CD2-CG 4.34Å; F241-Y258 HydrophobicContact CE1-CG 4.39Å; F241-Y258 HydrophobicContact CE2-CD1 4.39Å; F241-Y258 AromaticContact CE2-CD2 3.62Å; F241-Y258 HydrophobicContact CE2-CD2 3.62Å; F241-Y258 HydrophobicContact CE2-CE2 4.37Å; F241-Y258 AromaticContact CE2-CG 3.65Å; F241-Y258 HydrophobicContact CE2-CG 3.65Å; F241-Y258 VanDerWaalsContact CZ-CB 3.46Å; F241-Y258 HydrophobicContact CZ-CD1 4.18Å; F241-Y258 HydrophobicContact CZ-CD2 4.17Å; F241-Y258 AromaticContact CZ-CG 3.69Å; F241-Y258 HydrophobicContact CZ-CG 3.69Å; F241-Y258 PolarHBondContact N-O 2.83Å; F241-Y258 PolarHBondContact O-N 3.38Å; L243-Y258 HydrophobicContact CB-CD2 4.13Å; L243-Y258 HydrophobicContact CB-CE2 3.74Å; L243-Y258 HydrophobicContact CD2-CE2 4.08Å; L243-Y258 HydrophobicContact CG-CE2 4.37Å; A256-Y258 HydrophobicContact CB-CD2 4.37Å; A256-Y258 HydrophobicContact CB-CE2 3.61Å; A256-Y258 WeakPolarHBondContact O-CD2 3.28Å; Y258-A276 HydrophobicContact CD1-CB 4.17Å; Y258-A276 HydrophobicContact CE1-CB 3.82Å; Y258-P293 HydrophobicContact CE1-CG 3.7Å; Y258-P293 VanDerWaalsContact OH-CD 3.3Å; Y258-P293 WeakPolarHBondContact OH-CD 3.12Å
259	N	96.8	Very high	95.3	Very high	10 Å²	10	54 Å²	54	5%	0.053	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.5	175.6	-58.3	-93.4	0	0	0	108	F169 V198 V199 Q201 D240 K257 L261	F169-N259 HydrophobicContact CE2-CB 3.9Å; F169-N259 HydrophobicContact CZ-CB 4.15Å; V198-N259 CarbonylContact C-O 3.52Å; V198-N259 WeakPolarHBondContact CA-O 3.07Å; V199-N259 HydrophobicContact CB-CB 4.42Å; V199-N259 PolarHBondContact N-O 3.49Å; V199-N259 PolarHBondContact O-N 2.91Å; Q201-N259 PolarHBondContact OE1-ND2 3.09Å; D240-N259 HydrophobicContact CB-CB 4.47Å; D240-N259 WeakPolarHBondContact CB-OD1 3.33Å; K257-N259 VanDerWaalsContact CE-OD1 3.27Å; K257-N259 WeakPolarHBondContact CE-OD1 3.22Å; N259-L261 HydrophobicContact CB-CD2 3.96Å; N259-L261 PolarHBondContact O-N 3.2Å
260	V	97.3	Very high	95.6	Very high	14 Å²	14	53.8 Å²	53.8	9%	0.085	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	106.1	174.6	-173.6	0	0	0	0	107.6	T196 V198 Y239 F241 D263 M272	T196-V260 HydrophobicContact CG2-CG1 4.02Å; V198-V260 HydrophobicContact CG1-CG2 4.4Å; V198-V260 HydrophobicContact CG2-CG2 4.24Å; Y239-V260 HydrophobicContact CD1-CB 3.59Å; Y239-V260 HydrophobicContact CD1-CG1 3.68Å; Y239-V260 HydrophobicContact CD1-CG2 3.96Å; Y239-V260 HydrophobicContact CD2-CB 4.26Å; Y239-V260 HydrophobicContact CD2-CG2 3.99Å; Y239-V260 HydrophobicContact CE1-CB 4.09Å; Y239-V260 HydrophobicContact CE1-CG1 3.95Å; Y239-V260 HydrophobicContact CE1-CG2 4.05Å; Y239-V260 HydrophobicContact CE2-CG2 4.06Å; Y239-V260 HydrophobicContact CG-CB 3.69Å; Y239-V260 HydrophobicContact CG-CG1 4.31Å; Y239-V260 HydrophobicContact CG-CG2 3.94Å; Y239-V260 WeakPolarHBondContact O-CB 3.46Å; Y239-V260 PolarHBondContact O-N 3.12Å; F241-V260 HydrophobicContact CE1-CG2 4.43Å; V260-D263 HydrophobicContact CG1-CB 3.97Å; V260-M272 HydrophobicContact CG2-CG 3.94Å
261	L	96.2	Very high	95.9	Very high	50 Å²	50	48.4 Å²	48.4	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-22.5	-174.6	-56.7	-170.9	0	0	0	113.1	F169 L173 Y197 V199 N259	F169-L261 HydrophobicContact CB-CD1 3.79Å; F169-L261 HydrophobicContact CB-CD2 4.35Å; F169-L261 HydrophobicContact CD1-CD1 4.28Å; F169-L261 HydrophobicContact CD2-CD1 4.29Å; F169-L261 HydrophobicContact CD2-CD2 3.64Å; F169-L261 HydrophobicContact CE2-CD2 4.1Å; F169-L261 HydrophobicContact CG-CD1 3.88Å; F169-L261 HydrophobicContact CG-CD2 4.09Å; L173-L261 HydrophobicContact CB-CD1 4.29Å; L173-L261 HydrophobicContact CD1-CB 3.99Å; L173-L261 HydrophobicContact CD2-CB 3.96Å; L173-L261 HydrophobicContact CG-CB 4.44Å; Y197-L261 HydrophobicContact CD1-CB 4.09Å; Y197-L261 HydrophobicContact CD1-CD1 4.14Å; Y197-L261 HydrophobicContact CD1-CG 4.31Å; Y197-L261 HydrophobicContact CE1-CD1 4.01Å; Y197-L261 PolarHBondContact O-N 3.48Å; V199-L261 HydrophobicContact CG2-CD1 3.47Å; V199-L261 VanDerWaalsContact CG2-CD1 3.47Å; V199-L261 HydrophobicContact CG2-CG 4Å; N259-L261 HydrophobicContact CB-CD2 3.96Å; N259-L261 PolarHBondContact O-N 3.2Å
262	C	96.3	Very high	96.2	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	138.7	176.7	173	0	0	0	0	108.4	L173 L177 T196 Y197	L173-C262 HydrophobicContact CD1-CB 3.96Å; L177-C262 HydrophobicContact CD2-CB 4.29Å; T196-C262 CarbonylContact C-O 3.46Å; T196-C262 WeakPolarHBondContact CA-O 3.5Å; Y197-C262 PolarHBondContact N-O 2.98Å
263	D	97.2	Very high	96.4	Very high	30 Å²	30	44 Å²	44	16%	0.16	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	83.4	178.4	-173.7	23.1	0	0	0	111.8	T196 V260 N265 N266 L267	T196-D263 WeakPolarHBondContact CB-OD1 3.25Å; T196-D263 HydrophobicContact CG2-CB 4.05Å; T196-D263 WeakPolarHBondContact CG2-OD1 3.42Å; T196-D263 PolarHBondContact OG1-OD1 3.29Å; V260-D263 HydrophobicContact CG1-CB 3.97Å; D263-N265 PolarHBondContact O-N 2.88Å; D263-N265 WeakPolarHBondContact OD1-CB 3.37Å; D263-N265 PolarHBondContact OD1-N 2.93Å; D263-N266 PolarHBondContact O-N 3.42Å; D263-N266 PolarHBondContact O-OD1 3.12Å; D263-N266 PolarHBondContact OD1-N 3.21Å; D263-L267 WeakPolarHBondContact OD2-CA 3.27Å; D263-L267 WeakPolarHBondContact OD2-CB 3.3Å; D263-L267 PolarHBondContact OD2-N 3.35Å
264	D	97.6	Very high	96.7	Very high	73 Å²	73	45.6 Å²	45.6	39%	0.39	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.6	173.4	-54.2	-37.9	0	0	0	111.7	R181 I195	R181-D264 IonicContact CZ-OD2 3.33Å; R181-D264 IonicContact NE-OD2 2.73Å; R181-D264 IonicContact NH2-OD1 3.77Å; R181-D264 PolarHBondContact NH2-OD1 3.43Å; R181-D264 VanDerWaalsContact NH2-OD1 3.12Å; R181-D264 IonicContact NH2-OD2 2.79Å; R181-D264 PolarHBondContact NH2-OD2 3.14Å; I195-D264 PolarHBondContact O-N 3.29Å
265	N	97.5	Very high	96.9	Very high	26 Å²	26	43 Å²	43	14%	0.139	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.2	178.9	-67.7	-60.1	0	0	0	113.5	R156 G194 T196 D263 L267	R156-N265 WeakPolarHBondContact CB-OD1 3.34Å; R156-N265 WeakPolarHBondContact CD-OD1 3.27Å; R156-N265 VanDerWaalsContact CG-OD1 3.24Å; R156-N265 WeakPolarHBondContact CG-OD1 3.37Å; G194-N265 VanDerWaalsContact C-ND2 3.28Å; G194-N265 VanDerWaalsContact CA-OD1 3.27Å; G194-N265 WeakPolarHBondContact CA-OD1 3.38Å; G194-N265 PolarHBondContact O-ND2 3.19Å; G194-N265 PolarHBondContact O-OD1 2.86Å; T196-N265 PolarHBondContact N-ND2 3.26Å; T196-N265 PolarHBondContact OG1-ND2 3.49Å; D263-N265 PolarHBondContact O-N 2.88Å; D263-N265 WeakPolarHBondContact OD1-CB 3.37Å; D263-N265 PolarHBondContact OD1-N 2.93Å; N265-L267 VanDerWaalsContact C-N 3.3Å; N265-L267 HydrophobicContact CB-CD2 4.09Å; N265-L267 HydrophobicContact CB-CG 3.93Å; N265-L267 PolarHBondContact O-N 3.26Å
266	N	96.3	Very high	97	Very high	140 Å²	140	43 Å²	43	75%	0.749	24%	0.235	S	C	*	.			trans	49.5	47.3	-178.7	-66.1	-16.1	0	0	0	113.2	D263 K268	D263-N266 PolarHBondContact O-N 3.42Å; D263-N266 PolarHBondContact O-OD1 3.12Å; D263-N266 PolarHBondContact OD1-N 3.21Å; N266-K268 PolarHBondContact O-N 3.31Å
267	L	96.1	Very high	97.1	Very high	29 Å²	29	45.8 Å²	45.8	15%	0.152	25%	0.246	C	C	.	.			trans	-73.6	124.3	177.8	-58.2	-179.6	0	0	0	110.3	I158 T196 Y239 D263 N265 T271 M272 I275	I158-L267 HydrophobicContact CD1-CD1 4.12Å; T196-L267 HydrophobicContact CG2-CD1 4.22Å; Y239-L267 PolarHBondContact OH-O 2.93Å; D263-L267 WeakPolarHBondContact OD2-CA 3.27Å; D263-L267 WeakPolarHBondContact OD2-CB 3.3Å; D263-L267 PolarHBondContact OD2-N 3.35Å; N265-L267 VanDerWaalsContact C-N 3.3Å; N265-L267 HydrophobicContact CB-CD2 4.09Å; N265-L267 HydrophobicContact CB-CG 3.93Å; N265-L267 PolarHBondContact O-N 3.26Å; L267-T271 HydrophobicContact CD2-CG2 4.3Å; L267-M272 HydrophobicContact CB-CB 4.48Å; L267-M272 HydrophobicContact CD1-SD 3.94Å; L267-I275 HydrophobicContact CD1-CD1 4.2Å
268	K	95.9	Very high	97.2	Very high	164 Å²	164	52.2 Å²	52.2	71%	0.713	27%	0.271	S	S	*	.			trans	-61	152.7	169.3	-63.6	-177	179.6	-178.6	0	110.7	Y239 N266 D270 T271 M272	Y239-K268 VanDerWaalsContact OH-C 3.28Å; Y239-K268 PolarHBondContact OH-O 2.82Å; N266-K268 PolarHBondContact O-N 3.31Å; K268-D270 PolarHBondContact O-N 3.12Å; K268-T271 WeakPolarHBondContact O-CA 3.39Å; K268-T271 WeakPolarHBondContact O-CB 3.28Å; K268-T271 PolarHBondContact O-N 3.36Å; K268-M272 PolarHBondContact O-N 3.11Å
269	A	95.5	Very high	97.2	Very high	39 Å²	39	53.1 Å²	53.1	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-49.1	-54.3	179.5	0	0	0	0	0	112.5	Y239 T271 M272 Q273	Y239-A269 HydrophobicContact CE2-CB 4.24Å; Y239-A269 VanDerWaalsContact OH-CA 3.25Å; Y239-A269 WeakPolarHBondContact OH-CA 3.47Å; Y239-A269 PolarHBondContact OH-N 3.04Å; A269-T271 PolarHBondContact O-N 3.34Å; A269-M272 PolarHBondContact O-N 3.46Å; A269-M272 VanDerWaalsContact O-N 3.15Å; A269-Q273 WeakPolarHBondContact O-CB 3.34Å; A269-Q273 WeakPolarHBondContact O-CG 3.45Å; A269-Q273 PolarHBondContact O-N 2.81Å
270	D	96.6	Very high	97.2	Very high	119 Å²	119	52.6 Å²	52.6	64%	0.636	27%	0.274	S	S	*	.	H	α-helix	trans	-56.5	-38.7	178.9	-60.5	-21.4	0	0	0	112.5	K268 A274	K268-D270 PolarHBondContact O-N 3.12Å; D270-A274 WeakPolarHBondContact O-CB 3.46Å; D270-A274 PolarHBondContact O-N 3.25Å
271	T	97.7	Very high	97.2	Very high	65 Å²	65	56.1 Å²	56.1	40%	0.399	29%	0.289	S	S	.	.	H	α-helix	trans	-67.9	-46.3	179	-53.7	0	0	0	0	111.3	L267 K268 A269 A274 I275	L267-T271 HydrophobicContact CD2-CG2 4.3Å; K268-T271 WeakPolarHBondContact O-CA 3.39Å; K268-T271 WeakPolarHBondContact O-CB 3.28Å; K268-T271 PolarHBondContact O-N 3.36Å; A269-T271 PolarHBondContact O-N 3.34Å; T271-A274 PolarHBondContact O-N 3.47Å; T271-I275 HydrophobicContact CG2-CD1 3.95Å; T271-I275 WeakPolarHBondContact O-CB 3.33Å; T271-I275 VanDerWaalsContact O-CG1 3.24Å; T271-I275 WeakPolarHBondContact O-CG1 3.47Å; T271-I275 PolarHBondContact O-N 3.28Å
272	M	97.7	Very high	97.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-41.3	178.8	-173.8	66.2	-94.8	0	0	111.5	I158 F160 T196 V198 Y239 F241 V260 L267 K268 A269 I275 A276	I158-M272 HydrophobicContact CG2-CE 4.39Å; F160-M272 HydrophobicContact CE1-CE 4.12Å; F160-M272 HydrophobicContact CZ-CE 3.91Å; T196-M272 HydrophobicContact CG2-SD 3.96Å; V198-M272 HydrophobicContact CG2-CE 4.36Å; V198-M272 HydrophobicContact CG2-SD 3.88Å; Y239-M272 VanDerWaalsContact OH-CB 3.26Å; Y239-M272 WeakPolarHBondContact OH-CB 3.41Å; F241-M272 HydrophobicContact CE1-CG 4.05Å; F241-M272 HydrophobicContact CZ-CG 4.34Å; V260-M272 HydrophobicContact CG2-CG 3.94Å; L267-M272 HydrophobicContact CB-CB 4.48Å; L267-M272 HydrophobicContact CD1-SD 3.94Å; K268-M272 PolarHBondContact O-N 3.11Å; A269-M272 PolarHBondContact O-N 3.46Å; A269-M272 VanDerWaalsContact O-N 3.15Å; M272-I275 HydrophobicContact CE-CB 3.97Å; M272-I275 HydrophobicContact CE-CG2 3.84Å; M272-I275 PolarHBondContact O-N 2.88Å; M272-A276 WeakPolarHBondContact O-CB 3.42Å; M272-A276 PolarHBondContact O-N 3.13Å
273	Q	98.1	Very high	96.9	Very high	20 Å²	20	60.3 Å²	60.3	9%	0.093	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-45.2	175.8	-67.6	164.5	9.1	0	0	111.3	V228 D230 F241 A269 A276 Y277	V228-Q273 HydrophobicContact CG1-CG 4.05Å; D230-Q273 PolarHBondContact OD2-NE2 2.98Å; F241-Q273 HydrophobicContact CD1-CG 4.04Å; F241-Q273 HydrophobicContact CD2-CG 3.84Å; F241-Q273 HydrophobicContact CE1-CG 4.12Å; F241-Q273 HydrophobicContact CE2-CB 4.37Å; F241-Q273 HydrophobicContact CE2-CG 3.91Å; F241-Q273 HydrophobicContact CG-CG 3.9Å; F241-Q273 HydrophobicContact CZ-CG 4.05Å; A269-Q273 WeakPolarHBondContact O-CB 3.34Å; A269-Q273 WeakPolarHBondContact O-CG 3.45Å; A269-Q273 PolarHBondContact O-N 2.81Å; Q273-A276 PolarHBondContact O-N 3.15Å; Q273-Y277 PolarHBondContact O-N 3.35Å
274	A	98.1	Very high	96.5	Very high	39 Å²	39	60.2 Å²	60.2	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-62.6	-46.4	176.1	0	0	0	0	0	111.9	D270 T271 A276 Y277 Y278	D270-A274 WeakPolarHBondContact O-CB 3.46Å; D270-A274 PolarHBondContact O-N 3.25Å; T271-A274 PolarHBondContact O-N 3.47Å; A274-A276 PolarHBondContact O-N 2.61Å; A274-Y277 PolarHBondContact O-N 2.7Å; A274-Y278 HydrophobicContact CB-CD2 4.3Å; A274-Y278 HydrophobicContact CB-CE2 4.14Å; A274-Y278 WeakPolarHBondContact O-CD2 3.24Å; A274-Y278 PolarHBondContact O-N 3.21Å
275	I	98	Very high	96.1	Very high	48 Å²	48	59.8 Å²	59.8	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-49	175.2	-71	165.7	0	0	0	110.2	I158 F160 L267 T271 M272 Y277 Y278 V279	I158-I275 HydrophobicContact CD1-CD1 3.96Å; I158-I275 HydrophobicContact CD1-CG2 4.11Å; F160-I275 HydrophobicContact CZ-CG2 4.32Å; L267-I275 HydrophobicContact CD1-CD1 4.2Å; T271-I275 HydrophobicContact CG2-CD1 3.95Å; T271-I275 WeakPolarHBondContact O-CB 3.33Å; T271-I275 VanDerWaalsContact O-CG1 3.24Å; T271-I275 WeakPolarHBondContact O-CG1 3.47Å; T271-I275 PolarHBondContact O-N 3.28Å; M272-I275 HydrophobicContact CE-CB 3.97Å; M272-I275 HydrophobicContact CE-CG2 3.84Å; M272-I275 PolarHBondContact O-N 2.88Å; I275-Y277 VanDerWaalsContact C-N 3.27Å; I275-Y277 PolarHBondContact O-N 3.38Å; I275-Y278 PolarHBondContact O-N 2.88Å; I275-V279 HydrophobicContact CG2-CG2 4.15Å; I275-V279 WeakPolarHBondContact O-CB 3.42Å; I275-V279 WeakPolarHBondContact O-CG2 3.27Å; I275-V279 PolarHBondContact O-N 2.81Å
276	A	98	Very high	95.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-41	178.7	0	0	0	0	0	111.8	F160 F241 L243 Y258 M272 Q273 A274 C280	F160-A276 HydrophobicContact CE1-CB 4.48Å; F241-A276 HydrophobicContact CE2-CB 4.21Å; F241-A276 HydrophobicContact CZ-CB 4.06Å; L243-A276 HydrophobicContact CD2-CB 3.96Å; Y258-A276 HydrophobicContact CD1-CB 4.17Å; Y258-A276 HydrophobicContact CE1-CB 3.82Å; M272-A276 WeakPolarHBondContact O-CB 3.42Å; M272-A276 PolarHBondContact O-N 3.13Å; Q273-A276 PolarHBondContact O-N 3.15Å; A274-A276 PolarHBondContact O-N 2.61Å; A276-C280 PolarHBondContact O-N 3.14Å; A276-C280 PolarHBondContact O-SG 2.99Å
277	Y	98.3	Very high	95.4	Very high	59 Å²	59	60.1 Å²	60.1	23%	0.231	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-47.4	177.4	-174.6	-121.1	0	0	0	113.3	G226 L243 Q273 A274 I275 V279 C280 H281	G226-Y277 VanDerWaalsContact CA-CE2 3.46Å; L243-Y277 HydrophobicContact CD1-CD2 3.94Å; L243-Y277 HydrophobicContact CD1-CG 4.45Å; L243-Y277 HydrophobicContact CD2-CD2 4.43Å; Q273-Y277 PolarHBondContact O-N 3.35Å; A274-Y277 PolarHBondContact O-N 2.7Å; I275-Y277 VanDerWaalsContact C-N 3.27Å; I275-Y277 PolarHBondContact O-N 3.38Å; Y277-V279 VanDerWaalsContact C-N 3.35Å; Y277-V279 PolarHBondContact O-N 2.78Å; Y277-C280 VanDerWaalsContact O-CB 3.28Å; Y277-C280 WeakPolarHBondContact O-CB 3.13Å; Y277-C280 PolarHBondContact O-N 2.96Å; Y277-C280 VanDerWaalsContact O-N 3.13Å; Y277-H281 AromaticContact CD1-CE1 4Å; Y277-H281 AromaticContact CE1-CE1 3.61Å; Y277-H281 AromaticContact CE2-CE1 3.65Å; Y277-H281 AromaticContact CZ-CE1 3.43Å; Y277-H281 VanDerWaalsContact CZ-CE1 3.43Å; Y277-H281 AromaticContact CZ-NE2 3.98Å; Y277-H281 PolarHBondContact O-ND1 3.15Å
278	Y	97.9	Very high	95.2	Very high	150 Å²	150	64.6 Å²	64.6	59%	0.588	32%	0.317	S	S	*	.	H	α-helix	trans	-65.5	-37.7	-179.7	-72.8	-56.3	0	0	0	112.4	A274 I275 C280 H281	A274-Y278 HydrophobicContact CB-CD2 4.3Å; A274-Y278 HydrophobicContact CB-CE2 4.14Å; A274-Y278 WeakPolarHBondContact O-CD2 3.24Å; A274-Y278 PolarHBondContact O-N 3.21Å; I275-Y278 PolarHBondContact O-N 2.88Å; Y278-C280 PolarHBondContact O-N 3.34Å; Y278-H281 WeakPolarHBondContact O-CB 3Å; Y278-H281 PolarHBondContact O-N 2.78Å
279	V	97.4	Very high	95.2	Very high	18 Å²	18	57.7 Å²	57.7	11%	0.109	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-22.6	176.7	177.8	0	0	0	0	111.9	I275 Y277 H281 F282 P293 A294 P295	I275-V279 HydrophobicContact CG2-CG2 4.15Å; I275-V279 WeakPolarHBondContact O-CB 3.42Å; I275-V279 WeakPolarHBondContact O-CG2 3.27Å; I275-V279 PolarHBondContact O-N 2.81Å; Y277-V279 VanDerWaalsContact C-N 3.35Å; Y277-V279 PolarHBondContact O-N 2.78Å; V279-H281 PolarHBondContact O-N 3.09Å; V279-F282 HydrophobicContact CB-CD2 4.36Å; V279-F282 HydrophobicContact CB-CE2 4.43Å; V279-F282 HydrophobicContact CG1-CD2 4.21Å; V279-F282 HydrophobicContact CG2-CD2 4.31Å; V279-F282 HydrophobicContact CG2-CE2 3.93Å; V279-F282 PolarHBondContact O-N 3.27Å; V279-P293 HydrophobicContact CB-CB 4.29Å; V279-P293 HydrophobicContact CG1-CB 3.68Å; V279-A294 VanDerWaalsContact O-CB 3.28Å; V279-A294 WeakPolarHBondContact O-CB 3.17Å; V279-A294 PolarHBondContact O-N 2.78Å; V279-A294 VanDerWaalsContact O-N 3.08Å; V279-P295 HydrophobicContact CG1-CG 3.86Å
280	C	97.8	Very high	95.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.8	170.6	-65.4	0	0	0	0	113.5	S245 A276 Y277 Y278 S289 V290	S245-C280 VanDerWaalsContact CB-SG 3.55Å; A276-C280 PolarHBondContact O-N 3.14Å; A276-C280 PolarHBondContact O-SG 2.99Å; Y277-C280 VanDerWaalsContact O-CB 3.28Å; Y277-C280 WeakPolarHBondContact O-CB 3.13Å; Y277-C280 PolarHBondContact O-N 2.96Å; Y277-C280 VanDerWaalsContact O-N 3.13Å; Y278-C280 PolarHBondContact O-N 3.34Å; C280-S289 WeakPolarHBondContact CB-OG 3.32Å; C280-V290 WeakPolarHBondContact CB-O 3.2Å; C280-V290 VanDerWaalsContact O-CG2 3.27Å; C280-V290 WeakPolarHBondContact O-CG2 3.44Å; C280-V290 PolarHBondContact O-N 3.35Å; C280-V290 VanDerWaalsContact O-N 3.17Å
281	H	96.7	Very high	95.2	Very high	87 Å²	87	51.1 Å²	51.1	40%	0.403	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.6	177.8	-64.2	72.1	0	0	0	112.9	Y277 Y278 V279 Y283 S289	Y277-H281 AromaticContact CD1-CE1 4Å; Y277-H281 AromaticContact CE1-CE1 3.61Å; Y277-H281 AromaticContact CE2-CE1 3.65Å; Y277-H281 AromaticContact CZ-CE1 3.43Å; Y277-H281 VanDerWaalsContact CZ-CE1 3.43Å; Y277-H281 AromaticContact CZ-NE2 3.98Å; Y277-H281 PolarHBondContact O-ND1 3.15Å; Y278-H281 WeakPolarHBondContact O-CB 3Å; Y278-H281 PolarHBondContact O-N 2.78Å; V279-H281 PolarHBondContact O-N 3.09Å; H281-Y283 PolarHBondContact O-N 2.76Å; H281-S289 PolarHBondContact CE1-OG 3.08Å; H281-S289 WeakPolarHBondContact NE2-CB 3.4Å
282	F	93.9	Very high	95.2	Very high	135 Å²	135	48.1 Å²	48.1	59%	0.592	23%	0.231	S	C	*	.			trans	-77.5	-3.5	-179.8	-61.6	-10.9	0	0	0	113.6	V279 G284 A294	V279-F282 HydrophobicContact CB-CD2 4.36Å; V279-F282 HydrophobicContact CB-CE2 4.43Å; V279-F282 HydrophobicContact CG1-CD2 4.21Å; V279-F282 HydrophobicContact CG2-CD2 4.31Å; V279-F282 HydrophobicContact CG2-CE2 3.93Å; V279-F282 PolarHBondContact O-N 3.27Å; F282-G284 PolarHBondContact O-N 2.94Å; F282-A294 HydrophobicContact CB-CB 3.79Å
283	Y	92.6	Very high	95.2	Very high	26 Å²	26	48.1 Å²	48.1	10%	0.102	23%	0.231	C	C	.	.			trans	-76	86.4	-178.1	-174.3	-108.1	0	0	0	111.5	H281 R285 C286 V290 Y297 F298 L301	H281-Y283 PolarHBondContact O-N 2.76Å; Y283-R285 HydrophobicContact CD1-CB 4.12Å; Y283-R285 HydrophobicContact CE1-CB 3.59Å; Y283-R285 HydrophobicContact CE1-CG 4.34Å; Y283-R285 HydrophobicContact CE2-CB 4.42Å; Y283-R285 HydrophobicContact CE2-CG 4.33Å; Y283-R285 PolarHBondContact O-N 3.23Å; Y283-R285 VanDerWaalsContact OH-CD 3.27Å; Y283-R285 WeakPolarHBondContact OH-CD 3.27Å; Y283-R285 PolarHBondContact OH-NE 2.85Å; Y283-C286 PolarHBondContact O-N 3.46Å; Y283-V290 HydrophobicContact CD1-CB 4.4Å; Y283-V290 HydrophobicContact CD1-CG1 3.32Å; Y283-V290 HydrophobicContact CD1-CG2 4.3Å; Y283-V290 HydrophobicContact CE1-CG1 3.93Å; Y283-V290 HydrophobicContact CG-CG1 3.9Å; Y283-V290 HydrophobicContact CG-CG2 4.01Å; Y283-Y297 HydrophobicContact CD2-CG 4.4Å; Y283-Y297 HydrophobicContact CE2-CG 4.29Å; Y283-F298 HydrophobicContact CD2-CD1 4.12Å; Y283-F298 AromaticContact CD2-CE1 3.44Å; Y283-F298 HydrophobicContact CD2-CE1 3.44Å; Y283-F298 VanDerWaalsContact CD2-CE1 3.44Å; Y283-F298 HydrophobicContact CD2-CZ 4.13Å; Y283-F298 HydrophobicContact CE2-CD1 4.24Å; Y283-F298 AromaticContact CE2-CE1 3.86Å; Y283-F298 HydrophobicContact CE2-CE1 3.86Å; Y283-L301 HydrophobicContact CE2-CD1 4.12Å
284	G	89	Confident	95.1	Very high	27 Å²	27	47.2 Å²	47.2	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	2.2	-172.8	0	0	0	0	0	117	L109 M113 F282 C286	L109-G284 WeakPolarHBondContact CB-O 3.08Å; M113-G284 WeakPolarHBondContact SD-CA 3.26Å; F282-G284 PolarHBondContact O-N 2.94Å; G284-C286 PolarHBondContact O-N 3.42Å
285	R	89.6	Confident	95	Very high	65 Å²	65	47.3 Å²	47.3	25%	0.245	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.6	176.8	-72.1	-177.4	51	162.8	-6	112.6	K110 M113 Y283 V352	K110-R285 HydrophobicContact CG-CG 4.29Å; M113-R285 HydrophobicContact SD-CB 4.32Å; M113-R285 HydrophobicContact SD-CG 3.6Å; M113-R285 VanDerWaalsContact SD-CG 3.6Å; M113-R285 PolarHBondContact SD-N 2.83Å; Y283-R285 HydrophobicContact CD1-CB 4.12Å; Y283-R285 HydrophobicContact CE1-CB 3.59Å; Y283-R285 HydrophobicContact CE1-CG 4.34Å; Y283-R285 HydrophobicContact CE2-CB 4.42Å; Y283-R285 HydrophobicContact CE2-CG 4.33Å; Y283-R285 PolarHBondContact O-N 3.23Å; Y283-R285 VanDerWaalsContact OH-CD 3.27Å; Y283-R285 WeakPolarHBondContact OH-CD 3.27Å; Y283-R285 PolarHBondContact OH-NE 2.85Å; R285-V352 HydrophobicContact CG-CG1 3.62Å; R285-V352 PolarHBondContact NH1-O 3Å; R285-V352 VanDerWaalsContact NH1-O 3.14Å
286	C	89.6	Confident	95	Very high	36 Å²	36	45.2 Å²	45.2	24%	0.243	21%	0.214	C	C	.	.	S	Bend	trans	-154.2	153.7	175.1	57.4	0	0	0	0	110.8	Y283 G284 R288	Y283-C286 PolarHBondContact O-N 3.46Å; G284-C286 PolarHBondContact O-N 3.42Å; C286-R288 PolarHBondContact O-N 2.89Å
287	M	88.7	Confident	94.8	Very high	136 Å²	136	47.5 Å²	47.5	67%	0.67	22%	0.223	S	C	*	.	S	Bend	trans	-82.6	47.5	173.3	-60.4	176	179.1	0	0	111.7	L18 T105 L109	L18-M287 HydrophobicContact CD2-CE 4.44Å; T105-M287 HydrophobicContact CG2-CE 4.02Å; L109-M287 HydrophobicContact CD1-CE 4.2Å; L109-M287 HydrophobicContact CD1-CG 4.01Å; L109-M287 HydrophobicContact CD2-CE 3.95Å; L109-M287 HydrophobicContact CG-CE 4.45Å
288	R	92.4	Very high	94.7	Very high	124 Å²	124	45.2 Å²	45.2	47%	0.468	21%	0.214	S	C	.	.	S	Bend	trans	-142.3	145.1	-178	-62.8	179.4	71.1	155.3	1.9	109.7	C286	C286-R288 PolarHBondContact O-N 2.89Å
289	S	95.5	Very high	94.6	Very high	19 Å²	19	40.5 Å²	40.5	13%	0.133	21%	0.206	C	C	.	.			trans	-65.7	134.5	167.6	-174.3	0	0	0	0	110.7	S245 C280 H281	S245-S289 WeakPolarHBondContact O-CB 3.47Å; S245-S289 PolarHBondContact O-OG 2.85Å; C280-S289 WeakPolarHBondContact CB-OG 3.32Å; H281-S289 PolarHBondContact CE1-OG 3.08Å; H281-S289 WeakPolarHBondContact NE2-CB 3.4Å
290	V	96.1	Very high	94.5	Very high	14 Å²	14	42.5 Å²	42.5	9%	0.085	21%	0.214	C	C	.	.			trans	-101.3	163.7	-179.5	-66.9	0	0	0	0	112.2	S245 C280 Y283 I292 Y297	S245-V290 WeakPolarHBondContact CB-O 3.37Å; S245-V290 PolarHBondContact OG-O 3.37Å; C280-V290 WeakPolarHBondContact CB-O 3.2Å; C280-V290 VanDerWaalsContact O-CG2 3.27Å; C280-V290 WeakPolarHBondContact O-CG2 3.44Å; C280-V290 PolarHBondContact O-N 3.35Å; C280-V290 VanDerWaalsContact O-N 3.17Å; Y283-V290 HydrophobicContact CD1-CB 4.4Å; Y283-V290 HydrophobicContact CD1-CG1 3.32Å; Y283-V290 HydrophobicContact CD1-CG2 4.3Å; Y283-V290 HydrophobicContact CE1-CG1 3.93Å; Y283-V290 HydrophobicContact CG-CG1 3.9Å; Y283-V290 HydrophobicContact CG-CG2 4.01Å; V290-I292 VanDerWaalsContact C-N 3.3Å; V290-I292 WeakPolarHBondContact CG2-O 3.3Å; V290-I292 PolarHBondContact O-N 2.92Å; V290-Y297 HydrophobicContact CB-CD2 3.98Å; V290-Y297 HydrophobicContact CB-CE2 3.42Å; V290-Y297 VanDerWaalsContact CB-CE2 3.42Å; V290-Y297 HydrophobicContact CG1-CE2 4.34Å; V290-Y297 HydrophobicContact CG2-CD2 3.47Å; V290-Y297 VanDerWaalsContact CG2-CD2 3.47Å; V290-Y297 HydrophobicContact CG2-CE2 3.42Å; V290-Y297 VanDerWaalsContact CG2-CE2 3.42Å
291	S	96.3	Very high	94.4	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.035	22%	0.221	C	C	.	.	S	Bend	trans	-73.8	-9.5	-166.5	61.9	0	0	0	0	117.1	K202 S245 H246 Y297	K202-S291 WeakPolarHBondContact CE-OG 3.47Å; K202-S291 PolarHBondContact NZ-OG 3.44Å; S245-S291 VanDerWaalsContact OG-CA 3.28Å; S245-S291 WeakPolarHBondContact OG-CA 3.28Å; S245-S291 PolarHBondContact OG-O 3.3Å; H246-S291 WeakPolarHBondContact ND1-CA 3.47Å; H246-S291 WeakPolarHBondContact ND1-CB 3.4Å; S291-Y297 PolarHBondContact OG-OH 2.79Å
292	I	97	Very high	94.3	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	20%	0.203	C	C	.	.	S	Bend	trans	-146.5	161.3	178.6	56	-179.9	0	0	0	107.6	V200 K202 A256 V290 V296 Y297	V200-I292 HydrophobicContact CG1-CB 4.25Å; V200-I292 HydrophobicContact CG1-CG2 3.85Å; K202-I292 HydrophobicContact CB-CG2 4.2Å; K202-I292 HydrophobicContact CD-CG2 4.01Å; K202-I292 HydrophobicContact CG-CG2 4.34Å; A256-I292 HydrophobicContact CB-CG2 3.92Å; V290-I292 VanDerWaalsContact C-N 3.3Å; V290-I292 WeakPolarHBondContact CG2-O 3.3Å; V290-I292 PolarHBondContact O-N 2.92Å; I292-V296 HydrophobicContact CD1-CB 4.24Å; I292-V296 HydrophobicContact CD1-CG1 3.66Å; I292-V296 HydrophobicContact CG1-CG1 4.4Å; I292-Y297 HydrophobicContact CB-CE2 4.25Å; I292-Y297 HydrophobicContact CD1-CD1 4.32Å; I292-Y297 HydrophobicContact CD1-CD2 4.04Å; I292-Y297 HydrophobicContact CD1-CE1 4.25Å; I292-Y297 HydrophobicContact CD1-CE2 3.97Å; I292-Y297 HydrophobicContact CD1-CG 4.22Å; I292-Y297 HydrophobicContact CG1-CD1 4.41Å; I292-Y297 HydrophobicContact CG1-CD2 3.31Å; I292-Y297 HydrophobicContact CG1-CE1 4.27Å; I292-Y297 HydrophobicContact CG1-CE2 3.11Å; I292-Y297 HydrophobicContact CG1-CG 3.98Å; I292-Y297 WeakPolarHBondContact O-CD2 3.47Å; I292-Y297 WeakPolarHBondContact O-CE2 3.43Å
293	P	97.6	Very high	94.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.			trans	-59.4	143.4	-174.4	-24.1	36.8	0	0	0	111.8	F160 V200 Y258 V279 P295 V296 Y297	F160-P293 HydrophobicContact CD1-CB 4.45Å; F160-P293 HydrophobicContact CD1-CG 3.87Å; F160-P293 HydrophobicContact CD2-CB 4.4Å; F160-P293 HydrophobicContact CE1-CG 4.03Å; F160-P293 HydrophobicContact CG-CB 4.32Å; F160-P293 HydrophobicContact CG-CG 4.19Å; F160-P293 HydrophobicContact CZ-CG 4.49Å; V200-P293 HydrophobicContact CG2-CG 4.37Å; Y258-P293 HydrophobicContact CE1-CG 3.7Å; Y258-P293 VanDerWaalsContact OH-CD 3.3Å; Y258-P293 WeakPolarHBondContact OH-CD 3.12Å; V279-P293 HydrophobicContact CB-CB 4.29Å; V279-P293 HydrophobicContact CG1-CB 3.68Å; P293-P295 VanDerWaalsContact C-CD 3.44Å; P293-P295 VanDerWaalsContact C-N 3.34Å; P293-V296 HydrophobicContact CB-CG2 4.31Å; P293-V296 HydrophobicContact CG-CG2 4.42Å; P293-V296 WeakPolarHBondContact O-CB 3.47Å; P293-V296 PolarHBondContact O-N 3.38Å; P293-Y297 PolarHBondContact O-N 2.84Å
294	A	96.5	Very high	94.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-53.5	-40.3	-177.9	0	0	0	0	0	114.3	V279 F282 V296 Y297 F298	V279-A294 VanDerWaalsContact O-CB 3.28Å; V279-A294 WeakPolarHBondContact O-CB 3.17Å; V279-A294 PolarHBondContact O-N 2.78Å; V279-A294 VanDerWaalsContact O-N 3.08Å; F282-A294 HydrophobicContact CB-CB 3.79Å; A294-V296 VanDerWaalsContact C-N 3.27Å; A294-V296 PolarHBondContact O-N 2.88Å; A294-Y297 WeakPolarHBondContact O-CB 3.1Å; A294-Y297 PolarHBondContact O-N 2.85Å; A294-Y297 VanDerWaalsContact O-N 3.12Å; A294-F298 HydrophobicContact CB-CD2 4.42Å; A294-F298 HydrophobicContact CB-CE2 3.81Å; A294-F298 HydrophobicContact CB-CZ 3.94Å; A294-F298 VanDerWaalsContact O-CD2 3.23Å; A294-F298 WeakPolarHBondContact O-CD2 3.4Å; A294-F298 WeakPolarHBondContact O-CG 3.34Å; A294-F298 PolarHBondContact O-N 3.12Å
295	P	96.5	Very high	94.7	Very high	42 Å²	42	40.4 Å²	40.4	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-56.7	-37.6	174.4	-27.9	36.8	0	0	0	113.8	Y118 V279 P293 F298 A299	Y118-P295 WeakPolarHBondContact OH-CB 3.28Å; V279-P295 HydrophobicContact CG1-CG 3.86Å; P293-P295 VanDerWaalsContact C-CD 3.44Å; P293-P295 VanDerWaalsContact C-N 3.34Å; P295-F298 PolarHBondContact O-N 3.24Å; P295-A299 WeakPolarHBondContact O-CB 3.39Å; P295-A299 PolarHBondContact O-N 2.85Å
296	V	97.1	Very high	94.9	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-44.6	176.8	-179.5	0	0	0	0	110.3	F160 D162 V200 I292 P293 A294 F298 A299 H300	F160-V296 HydrophobicContact CB-CG2 3.61Å; D162-V296 HydrophobicContact CB-CG1 3.33Å; V200-V296 HydrophobicContact CG2-CG2 4.27Å; I292-V296 HydrophobicContact CD1-CB 4.24Å; I292-V296 HydrophobicContact CD1-CG1 3.66Å; I292-V296 HydrophobicContact CG1-CG1 4.4Å; P293-V296 HydrophobicContact CB-CG2 4.31Å; P293-V296 HydrophobicContact CG-CG2 4.42Å; P293-V296 WeakPolarHBondContact O-CB 3.47Å; P293-V296 PolarHBondContact O-N 3.38Å; A294-V296 VanDerWaalsContact C-N 3.27Å; A294-V296 PolarHBondContact O-N 2.88Å; V296-F298 VanDerWaalsContact C-N 3.32Å; V296-F298 PolarHBondContact O-N 3.03Å; V296-A299 PolarHBondContact O-N 3.36Å; V296-H300 PolarHBondContact O-N 3.48Å
297	Y	95.4	Very high	95	Very high	48 Å²	48	44.7 Å²	44.7	19%	0.188	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-41.8	173.8	-94.1	-64.4	0	0	0	112.5	Y283 V290 S291 I292 P293 A294 H300 L301	Y283-Y297 HydrophobicContact CD2-CG 4.4Å; Y283-Y297 HydrophobicContact CE2-CG 4.29Å; V290-Y297 HydrophobicContact CB-CD2 3.98Å; V290-Y297 HydrophobicContact CB-CE2 3.42Å; V290-Y297 VanDerWaalsContact CB-CE2 3.42Å; V290-Y297 HydrophobicContact CG1-CE2 4.34Å; V290-Y297 HydrophobicContact CG2-CD2 3.47Å; V290-Y297 VanDerWaalsContact CG2-CD2 3.47Å; V290-Y297 HydrophobicContact CG2-CE2 3.42Å; V290-Y297 VanDerWaalsContact CG2-CE2 3.42Å; S291-Y297 PolarHBondContact OG-OH 2.79Å; I292-Y297 HydrophobicContact CB-CE2 4.25Å; I292-Y297 HydrophobicContact CD1-CD1 4.32Å; I292-Y297 HydrophobicContact CD1-CD2 4.04Å; I292-Y297 HydrophobicContact CD1-CE1 4.25Å; I292-Y297 HydrophobicContact CD1-CE2 3.97Å; I292-Y297 HydrophobicContact CD1-CG 4.22Å; I292-Y297 HydrophobicContact CG1-CD1 4.41Å; I292-Y297 HydrophobicContact CG1-CD2 3.31Å; I292-Y297 HydrophobicContact CG1-CE1 4.27Å; I292-Y297 HydrophobicContact CG1-CE2 3.11Å; I292-Y297 HydrophobicContact CG1-CG 3.98Å; I292-Y297 WeakPolarHBondContact O-CD2 3.47Å; I292-Y297 WeakPolarHBondContact O-CE2 3.43Å; P293-Y297 PolarHBondContact O-N 2.84Å; A294-Y297 WeakPolarHBondContact O-CB 3.1Å; A294-Y297 PolarHBondContact O-N 2.85Å; A294-Y297 VanDerWaalsContact O-N 3.12Å; Y297-H300 WeakPolarHBondContact O-CB 3.18Å; Y297-H300 PolarHBondContact O-N 2.91Å; Y297-L301 WeakPolarHBondContact O-CG 3.35Å; Y297-L301 PolarHBondContact O-N 2.88Å
298	F	96.1	Very high	95.3	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-39.9	177.8	-61.7	-28.9	0	0	0	111.7	M113 Y118 Y283 A294 P295 V296 H300 L301 A302 M349 F351	M113-F298 HydrophobicContact CE-CE1 3.51Å; M113-F298 HydrophobicContact CE-CZ 3.57Å; Y118-F298 HydrophobicContact CD1-CD2 4.18Å; Y118-F298 HydrophobicContact CE1-CB 4.12Å; Y118-F298 AromaticContact CE1-CD2 3.71Å; Y118-F298 HydrophobicContact CE1-CD2 3.71Å; Y118-F298 HydrophobicContact CE1-CG 4.32Å; Y118-F298 HydrophobicContact CE2-CD2 4.14Å; Y118-F298 HydrophobicContact CE2-CE2 4.38Å; Y118-F298 AromaticContact CZ-CD2 3.69Å; Y283-F298 HydrophobicContact CD2-CD1 4.12Å; Y283-F298 AromaticContact CD2-CE1 3.44Å; Y283-F298 HydrophobicContact CD2-CE1 3.44Å; Y283-F298 VanDerWaalsContact CD2-CE1 3.44Å; Y283-F298 HydrophobicContact CD2-CZ 4.13Å; Y283-F298 HydrophobicContact CE2-CD1 4.24Å; Y283-F298 AromaticContact CE2-CE1 3.86Å; Y283-F298 HydrophobicContact CE2-CE1 3.86Å; A294-F298 HydrophobicContact CB-CD2 4.42Å; A294-F298 HydrophobicContact CB-CE2 3.81Å; A294-F298 HydrophobicContact CB-CZ 3.94Å; A294-F298 VanDerWaalsContact O-CD2 3.23Å; A294-F298 WeakPolarHBondContact O-CD2 3.4Å; A294-F298 WeakPolarHBondContact O-CG 3.34Å; A294-F298 PolarHBondContact O-N 3.12Å; P295-F298 PolarHBondContact O-N 3.24Å; V296-F298 VanDerWaalsContact C-N 3.32Å; V296-F298 PolarHBondContact O-N 3.03Å; F298-H300 VanDerWaalsContact C-N 3.33Å; F298-H300 PolarHBondContact O-N 3.39Å; F298-L301 HydrophobicContact CD1-CD1 4.41Å; F298-L301 PolarHBondContact O-N 2.88Å; F298-A302 WeakPolarHBondContact O-CB 3.45Å; F298-A302 PolarHBondContact O-N 2.92Å; F298-M349 HydrophobicContact CD1-CE 4.1Å; F298-M349 HydrophobicContact CD2-CE 4.06Å; F298-M349 HydrophobicContact CE1-CE 3.89Å; F298-M349 HydrophobicContact CE2-CE 3.83Å; F298-M349 HydrophobicContact CG-CE 4.2Å; F298-M349 HydrophobicContact CZ-CE 3.75Å; F298-F351 HydrophobicContact CB-CE2 3.71Å; F298-F351 HydrophobicContact CB-CZ 4.23Å; F298-F351 HydrophobicContact CD1-CE2 4.09Å; F298-F351 HydrophobicContact CG-CE2 4.02Å
299	A	95.4	Very high	95.4	Very high	51 Å²	51	35.4 Å²	35.4	42%	0.421	18%	0.179	S	C	.	.	H	α-helix	trans	-59.1	-43.2	172.3	0	0	0	0	0	111.7	P295 V296 A302 C303	P295-A299 WeakPolarHBondContact O-CB 3.39Å; P295-A299 PolarHBondContact O-N 2.85Å; V296-A299 PolarHBondContact O-N 3.36Å; A299-A302 PolarHBondContact O-N 2.66Å; A299-C303 WeakPolarHBondContact O-CB 3.49Å; A299-C303 PolarHBondContact O-N 3.34Å; A299-C303 PolarHBondContact O-SG 3.33Å
300	H	94.8	Very high	95.2	Very high	60 Å²	60	34.9 Å²	34.9	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-60.4	-47.1	173.8	-72.9	-171.5	0	0	0	112.1	D162 V296 Y297 F298 A302 C303 Y304	D162-H300 IonicContact OD2-CD2 3.98Å; D162-H300 IonicContact OD2-CE1 3.32Å; D162-H300 PolarHBondContact OD2-CE1 3.34Å; D162-H300 IonicContact OD2-NE2 3.69Å; D162-H300 PolarHBondContact OD2-NE2 3.04Å; V296-H300 PolarHBondContact O-N 3.48Å; Y297-H300 WeakPolarHBondContact O-CB 3.18Å; Y297-H300 PolarHBondContact O-N 2.91Å; F298-H300 VanDerWaalsContact C-N 3.33Å; F298-H300 PolarHBondContact O-N 3.39Å; H300-A302 VanDerWaalsContact C-N 3.33Å; H300-A302 PolarHBondContact O-N 3.39Å; H300-C303 PolarHBondContact O-N 2.7Å; H300-Y304 HydrophobicContact CB-CD2 4.4Å; H300-Y304 HydrophobicContact CB-CE2 4.16Å; H300-Y304 WeakPolarHBondContact O-CD2 3.46Å; H300-Y304 PolarHBondContact O-N 2.96Å
301	L	95.5	Very high	94.9	Very high	28 Å²	28	36.5 Å²	36.5	15%	0.147	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-41.1	178.7	-70.2	179	0	0	0	112.2	Y283 Y297 F298 Y304 R305 F351	Y283-L301 HydrophobicContact CE2-CD1 4.12Å; Y297-L301 WeakPolarHBondContact O-CG 3.35Å; Y297-L301 PolarHBondContact O-N 2.88Å; F298-L301 HydrophobicContact CD1-CD1 4.41Å; F298-L301 PolarHBondContact O-N 2.88Å; L301-Y304 PolarHBondContact O-N 2.8Å; L301-R305 WeakPolarHBondContact O-CB 3.41Å; L301-R305 PolarHBondContact O-N 3.14Å; L301-F351 HydrophobicContact CB-CB 4.41Å; L301-F351 HydrophobicContact CB-CD2 3.88Å
302	A	95.6	Very high	94.5	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-44.6	175	0	0	0	0	0	111.7	A120 I122 F298 A299 H300 R305 S306 F351	A120-A302 HydrophobicContact CB-CB 3.69Å; I122-A302 HydrophobicContact CD1-CB 4.3Å; F298-A302 WeakPolarHBondContact O-CB 3.45Å; F298-A302 PolarHBondContact O-N 2.92Å; A299-A302 PolarHBondContact O-N 2.66Å; H300-A302 VanDerWaalsContact C-N 3.33Å; H300-A302 PolarHBondContact O-N 3.39Å; A302-R305 PolarHBondContact O-N 3.17Å; A302-S306 PolarHBondContact O-N 2.82Å; A302-F351 HydrophobicContact CB-CB 4.27Å; A302-F351 HydrophobicContact CB-CD1 4.24Å; A302-F351 HydrophobicContact CB-CG 4.12Å
303	C	93.7	Very high	94.1	Very high	74 Å²	74	44.1 Å²	44.1	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-38.4	175	-71.2	0	0	0	0	113	A299 H300 R305 S306 R307	A299-C303 WeakPolarHBondContact O-CB 3.49Å; A299-C303 PolarHBondContact O-N 3.34Å; A299-C303 PolarHBondContact O-SG 3.33Å; H300-C303 PolarHBondContact O-N 2.7Å; C303-R305 VanDerWaalsContact C-N 3.35Å; C303-S306 PolarHBondContact O-OG 2.91Å; C303-R307 PolarHBondContact O-N 3.45Å
304	Y	94.4	Very high	93.2	Very high	121 Å²	121	46.7 Å²	46.7	48%	0.475	24%	0.235	S	C	.	.	H	α-helix	trans	-68	-38.1	173.6	-72.6	-58.3	0	0	0	111.5	H300 L301 R307 H308	H300-Y304 HydrophobicContact CB-CD2 4.4Å; H300-Y304 HydrophobicContact CB-CE2 4.16Å; H300-Y304 WeakPolarHBondContact O-CD2 3.46Å; H300-Y304 PolarHBondContact O-N 2.96Å; L301-Y304 PolarHBondContact O-N 2.8Å; Y304-R307 WeakPolarHBondContact O-CB 3.24Å; Y304-R307 PolarHBondContact O-N 3.13Å; Y304-H308 PolarHBondContact O-CD2 2.62Å; Y304-H308 PolarHBondContact O-N 2.96Å
305	R	95.5	Very high	91.8	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-40	177.2	-174.9	60.4	67.3	77.1	15.2	112.1	D77 L301 A302 C303 R307 H308 H309 Y350 F351 V352	D77-R305 IonicContact OD1-NH1 2.8Å; D77-R305 WeakPolarHBondContact OD2-CD 3.46Å; D77-R305 IonicContact OD2-CZ 3.41Å; D77-R305 IonicContact OD2-NH1 2.97Å; D77-R305 PolarHBondContact OD2-NH1 3.33Å; L301-R305 WeakPolarHBondContact O-CB 3.41Å; L301-R305 PolarHBondContact O-N 3.14Å; A302-R305 PolarHBondContact O-N 3.17Å; C303-R305 VanDerWaalsContact C-N 3.35Å; R305-R307 VanDerWaalsContact C-N 3.27Å; R305-R307 PolarHBondContact O-N 3.47Å; R305-H308 WeakPolarHBondContact O-CA 3.47Å; R305-H308 WeakPolarHBondContact O-CB 3.31Å; R305-H308 PolarHBondContact O-N 3.34Å; R305-H309 PolarHBondContact O-N 2.89Å; R305-Y350 HydrophobicContact CB-CE2 4.39Å; R305-Y350 HydrophobicContact CG-CD2 3.96Å; R305-Y350 HydrophobicContact CG-CE2 3.62Å; R305-Y350 PolarHBondContact NH1-O 3.24Å; R305-Y350 PolarHBondContact NH2-O 3.35Å; R305-F351 HydrophobicContact CB-CB 4.12Å; R305-F351 VanDerWaalsContact NH2-CA 3.33Å; R305-F351 PolarHBondContact NH2-O 2.62Å; R305-F351 VanDerWaalsContact NH2-O 3.15Å; R305-V352 PolarHBondContact NH2-OXT 3.39Å
306	S	93.6	Very high	89.7	Confident	21 Å²	21	51.1 Å²	51.1	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-33.2	176.5	74.4	0	0	0	0	113.3	A302 C303 H308 H309 S310	A302-S306 PolarHBondContact O-N 2.82Å; C303-S306 PolarHBondContact O-OG 2.91Å; S306-H308 VanDerWaalsContact C-N 3.35Å; S306-H309 PolarHBondContact O-N 3.35Å; S306-S310 PolarHBondContact O-N 3.2Å; S306-S310 PolarHBondContact O-OG 2.98Å
307	R	92.3	Very high	87.3	Confident	171 Å²	171	56.6 Å²	56.6	65%	0.645	31%	0.312	S	S	*	.	H	α-helix	trans	-63.6	-40.6	171.5	-67.7	-179.8	177.3	-164.3	-2	111.7	C303 Y304 R305 H309 S310 Y311	C303-R307 PolarHBondContact O-N 3.45Å; Y304-R307 WeakPolarHBondContact O-CB 3.24Å; Y304-R307 PolarHBondContact O-N 3.13Å; R305-R307 VanDerWaalsContact C-N 3.27Å; R305-R307 PolarHBondContact O-N 3.47Å; R307-H309 VanDerWaalsContact C-N 3.3Å; R307-H309 PolarHBondContact O-N 3.21Å; R307-S310 PolarHBondContact O-N 3.43Å; R307-Y311 PolarHBondContact O-N 2.9Å; R307-Y311 VanDerWaalsContact O-N 3.14Å
308	H	93.5	Very high	84.7	Confident	62 Å²	62	61.7 Å²	61.7	29%	0.287	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-33.2	173.7	-73	-67.7	0	0	0	112.6	Y69 S70 Y304 R305 S306 Y311	Y69-H308 AromaticContact CD1-CE1 3.66Å; Y69-H308 AromaticContact CD1-CG 3.98Å; Y69-H308 AromaticContact CD1-ND1 3.69Å; Y69-H308 AromaticContact CD1-NE2 3.92Å; Y69-H308 AromaticContact CE1-CD2 3.73Å; Y69-H308 AromaticContact CE1-CE1 3.97Å; Y69-H308 AromaticContact CE1-CG 3.92Å; Y69-H308 AromaticContact CE1-NE2 3.75Å; S70-H308 PolarHBondContact OG-ND1 2.86Å; Y304-H308 PolarHBondContact O-CD2 2.62Å; Y304-H308 PolarHBondContact O-N 2.96Å; R305-H308 WeakPolarHBondContact O-CA 3.47Å; R305-H308 WeakPolarHBondContact O-CB 3.31Å; R305-H308 PolarHBondContact O-N 3.34Å; S306-H308 VanDerWaalsContact C-N 3.35Å; H308-Y311 WeakPolarHBondContact O-CD1 3.15Å
309	H	94.3	Very high	81.8	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.009	38%	0.379	C	S	.	.	H	α-helix	trans	-72.8	-33.6	176.9	-55.8	158	0	0	0	113.2	R74 D77 V78 R305 S306 R307 A338 Y350	R74-H309 WeakPolarHBondContact CG-O 3.41Å; D77-H309 WeakPolarHBondContact CB-NE2 3.18Å; D77-H309 IonicContact OD2-CD2 2.85Å; D77-H309 IonicContact OD2-CE1 3.58Å; D77-H309 IonicContact OD2-NE2 2.7Å; D77-H309 PolarHBondContact OD2-NE2 3.32Å; V78-H309 HydrophobicContact CG2-CB 4.11Å; R305-H309 PolarHBondContact O-N 2.89Å; S306-H309 PolarHBondContact O-N 3.35Å; R307-H309 VanDerWaalsContact C-N 3.3Å; R307-H309 PolarHBondContact O-N 3.21Å; H309-A338 WeakPolarHBondContact CB-O 3.35Å; H309-Y350 AromaticContact CE1-CE2 3.79Å
310	S	92.1	Very high	79.1	Confident	9 Å²	9	72.6 Å²	72.6	6%	0.063	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.9	-178	54.7	0	0	0	0	114.4	S306 R307 L312 L313 T314	S306-S310 PolarHBondContact O-N 3.2Å; S306-S310 PolarHBondContact O-OG 2.98Å; R307-S310 PolarHBondContact O-N 3.43Å; S310-L312 PolarHBondContact O-N 3.47Å; S310-L312 VanDerWaalsContact O-N 3.12Å; S310-L313 WeakPolarHBondContact O-CA 3.37Å; S310-L313 WeakPolarHBondContact O-CB 3.27Å; S310-L313 PolarHBondContact O-N 3.19Å; S310-T314 PolarHBondContact O-N 2.87Å; S310-T314 VanDerWaalsContact O-N 3.13Å
311	Y	90.2	Very high	76.6	Confident	47 Å²	47	76.2 Å²	76.2	18%	0.184	42%	0.418	C	S	.	.	H	α-helix	trans	-58.4	-31.9	-171.4	86.6	-80.4	0	0	0	114.2	E71 R74 R307 H308 L313 T314 G315	E71-Y311 HydrophobicContact CB-CE1 4.33Å; E71-Y311 WeakPolarHBondContact CB-OH 3.41Å; E71-Y311 PolarHBondContact OE2-OH 2.72Å; R74-Y311 HydrophobicContact CB-CE1 4.38Å; R307-Y311 PolarHBondContact O-N 2.9Å; R307-Y311 VanDerWaalsContact O-N 3.14Å; H308-Y311 WeakPolarHBondContact O-CD1 3.15Å; Y311-L313 VanDerWaalsContact C-N 3.27Å; Y311-L313 PolarHBondContact O-N 2.6Å; Y311-T314 PolarHBondContact O-OG1 3.5Å; Y311-G315 PolarHBondContact O-N 3.43Å; Y311-G315 VanDerWaalsContact O-N 3.11Å
312	L	88.1	Confident	73.8	Confident	106 Å²	106	77.7 Å²	77.7	56%	0.555	44%	0.44	S	S	*	.	H	α-helix	trans	-66.2	-28.3	175.1	-68.2	176.4	0	0	0	112.8	S310	S310-L312 PolarHBondContact O-N 3.47Å; S310-L312 VanDerWaalsContact O-N 3.12Å
313	L	87.6	Confident	71	Confident	63 Å²	63	83.1 Å²	83.1	33%	0.33	48%	0.478	S	S	.	.	H	α-helix	trans	-89.7	-30.9	-178.8	-59.1	176.8	0	0	0	112.2	S310 Y311 E334 F335 A338	S310-L313 WeakPolarHBondContact O-CA 3.37Å; S310-L313 WeakPolarHBondContact O-CB 3.27Å; S310-L313 PolarHBondContact O-N 3.19Å; Y311-L313 VanDerWaalsContact C-N 3.27Å; Y311-L313 PolarHBondContact O-N 2.6Å; L313-E334 HydrophobicContact CD1-CB 4.19Å; L313-E334 HydrophobicContact CD2-CB 4.44Å; L313-F335 HydrophobicContact CB-CD1 4.16Å; L313-F335 HydrophobicContact CB-CE1 3.52Å; L313-F335 HydrophobicContact CB-CE2 4.3Å; L313-F335 HydrophobicContact CB-CZ 3.58Å; L313-F335 HydrophobicContact CD1-CB 4.45Å; L313-F335 HydrophobicContact CD1-CD1 3.71Å; L313-F335 HydrophobicContact CD1-CD2 4.43Å; L313-F335 HydrophobicContact CD1-CE1 3.98Å; L313-F335 HydrophobicContact CD1-CG 3.94Å; L313-F335 HydrophobicContact CD1-CZ 4.42Å; L313-F335 HydrophobicContact CG-CE1 4.42Å; L313-A338 HydrophobicContact CD1-CB 3.77Å
314	T	80	Confident	68.8	Low	53 Å²	53	88.8 Å²	88.8	33%	0.325	49%	0.489	S	S	.	.	H	α-helix	trans	-87.7	-14.6	179.7	59.8	0	0	0	0	113.7	S310 Y311 F335	S310-T314 PolarHBondContact O-N 2.87Å; S310-T314 VanDerWaalsContact O-N 3.13Å; Y311-T314 PolarHBondContact O-OG1 3.5Å; T314-F335 HydrophobicContact CG2-CE1 3.77Å; T314-F335 HydrophobicContact CG2-CZ 4.15Å
315	G	65.9	Low	66.4	Low	37 Å²	37	86.1 Å²	86.1	38%	0.381	50%	0.498	S	S	.	.			trans	71.8	159.9	-165	0	0	0	0	0	111.8	Y311 S317	Y311-G315 PolarHBondContact O-N 3.43Å; Y311-G315 VanDerWaalsContact O-N 3.11Å; G315-S317 PolarHBondContact O-N 3.33Å
316	S	52.2	Low	64	Low	99 Å²	99	96 Å²	96	69%	0.692	54%	0.541	S	S	*	.	S	Bend	trans	-72.3	89.2	175.2	-66.6	0	0	0	0	110.6	D318	S316-D318 VanDerWaalsContact C-N 3.26Å; S316-D318 PolarHBondContact O-N 3.27Å
317	S	47.1	Very low	62.1	Low	118 Å²	118	101.2 Å²	101.2	83%	0.825	56%	0.561	S	S	*	*	S	Bend	trans	51.4	-8.5	154.4	-48.2	0	0	0	0	122.3	G315	G315-S317 PolarHBondContact O-N 3.33Å
318	D	41.8	Very low	60.5	Low	155 Å²	155	100.1 Å²	100.1	83%	0.829	56%	0.563	S	S	*	*			trans	-125.1	-4.7	-175.8	-75.8	-34.5	0	0	0	115.6	S316 S320	S316-D318 VanDerWaalsContact C-N 3.26Å; S316-D318 PolarHBondContact O-N 3.27Å; D318-S320 PolarHBondContact O-N 3.34Å
319	E	34.5	Very low	58.8	Low	175 Å²	175	104.3 Å²	104.3	82%	0.818	58%	0.583	S	S	*	*	S	Bend	trans	-95.6	104.3	172.6	-65	-144.4	161.2	0	0	110.7	L321	E319-L321 PolarHBondContact O-N 2.83Å
320	S	37.9	Very low	57.1	Low	115 Å²	115	111 Å²	111	80%	0.804	61%	0.614	S	S	*	*			trans	-48.5	111.2	167.7	49.8	0	0	0	0	110.1	D318 G322	D318-S320 PolarHBondContact O-N 3.34Å; S320-G322 PolarHBondContact O-N 3.38Å
321	L	42.5	Very low	56.3	Low	137 Å²	137	112.6 Å²	112.6	72%	0.717	63%	0.625	S	S	*	*			trans	-63.5	77.3	171.2	-77.4	150.8	0	0	0	109.9	E319	E319-L321 PolarHBondContact O-N 2.83Å
322	G	36.2	Very low	55.9	Low	58 Å²	58	113.9 Å²	113.9	60%	0.598	63%	0.632	S	S	*	*			trans	-101.5	113.5	172.9	0	0	0	0	0	110.2	S320	S320-G322 PolarHBondContact O-N 3.38Å
323	S	37.7	Very low	55.8	Low	119 Å²	119	112.3 Å²	112.3	83%	0.832	63%	0.626	S	S	*	*			trans	71	97.9	171.4	86.6	0	0	0	0	117.1
324	R	47.4	Very low	55.8	Low	193 Å²	193	113.5 Å²	113.5	73%	0.728	63%	0.63	S	S	*	*			trans	-144.8	52.5	159.1	-119.8	-179	173.8	-175.4	0.8	111.8	K326	R324-K326 PolarHBondContact O-N 3.48Å
325	G	43.3	Very low	56.2	Low	65 Å²	65	113.1 Å²	113.1	67%	0.67	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	25.6	-175.5	0	0	0	0	0	117.5
326	K	46.8	Very low	57.4	Low	211 Å²	211	114 Å²	114	92%	0.917	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139	5.9	174.9	-75.4	-170.7	176.6	178.4	0	115.5	R324	R324-K326 PolarHBondContact O-N 3.48Å
327	K	52.6	Low	59.2	Low	131 Å²	131	118 Å²	118	57%	0.57	62%	0.622	S	S	*	*			trans	-122.1	18.5	178.6	-75	-169.4	174.3	-171.7	0	113.9	Q329 S331	K327-Q329 PolarHBondContact O-N 2.73Å; K327-S331 VanDerWaalsContact O-CB 3.23Å; K327-S331 WeakPolarHBondContact O-CB 3.38Å; K327-S331 PolarHBondContact O-N 3.29Å; K327-S331 VanDerWaalsContact O-N 3.08Å
328	E	58.8	Low	61.4	Low	148 Å²	148	113.3 Å²	113.3	69%	0.692	59%	0.59	S	S	*	*	H	α-helix	trans	-61.8	-41.3	-166.7	-73.9	-174.8	150.4	0	0	114.3	K332	E328-K332 PolarHBondContact O-N 3.34Å
329	Q	57.7	Low	63.8	Low	150 Å²	150	106.4 Å²	106.4	70%	0.701	55%	0.553	S	S	*	*	H	α-helix	trans	-70.5	-45.2	-175	-158.6	73.5	7.5	0	0	112.6	K327 S331 K332 V333	K327-Q329 PolarHBondContact O-N 2.73Å; Q329-S331 VanDerWaalsContact C-N 3.3Å; Q329-S331 PolarHBondContact O-N 2.86Å; Q329-K332 PolarHBondContact O-N 3.44Å; Q329-V333 PolarHBondContact O-N 2.8Å
330	Q	58.5	Low	66.7	Low	142 Å²	142	101.6 Å²	101.6	66%	0.664	54%	0.536	S	S	*	.	H	α-helix	trans	-66.9	-37.3	178.4	-169.5	153.5	7.1	0	0	111	K332 V333 E334	Q330-K332 VanDerWaalsContact C-N 3.33Å; Q330-K332 PolarHBondContact O-N 3.29Å; Q330-V333 PolarHBondContact O-N 3.17Å; Q330-E334 WeakPolarHBondContact O-CG 3.37Å; Q330-E334 PolarHBondContact O-N 2.84Å
331	S	76.8	Confident	69.4	Low	42 Å²	42	96.9 Å²	96.9	29%	0.294	50%	0.503	S	S	.	.	H	α-helix	trans	-58.9	-42.9	172.8	-177.3	0	0	0	0	111.9	K327 Q329 V333 E334 F335	K327-S331 VanDerWaalsContact O-CB 3.23Å; K327-S331 WeakPolarHBondContact O-CB 3.38Å; K327-S331 PolarHBondContact O-N 3.29Å; K327-S331 VanDerWaalsContact O-N 3.08Å; Q329-S331 VanDerWaalsContact C-N 3.3Å; Q329-S331 PolarHBondContact O-N 2.86Å; S331-V333 PolarHBondContact O-N 3.38Å; S331-E334 PolarHBondContact O-N 2.77Å; S331-F335 WeakPolarHBondContact O-CB 3.45Å; S331-F335 WeakPolarHBondContact O-CD2 3.48Å; S331-F335 PolarHBondContact O-N 3.25Å; S331-F335 WeakPolarHBondContact OG-CD2 3.29Å; S331-F335 VanDerWaalsContact OG-CE2 3.24Å; S331-F335 WeakPolarHBondContact OG-CE2 3.16Å
332	K	80.8	Confident	71.9	Confident	75 Å²	75	93.3 Å²	93.3	33%	0.326	48%	0.482	S	S	.	.	H	α-helix	trans	-60.8	-45.2	-179.8	-170.8	177.4	-179.6	180	0	112.7	Y134 E328 Q329 Q330 F335 T336	Y134-K332 PolarHBondContact OH-NZ 2.87Å; E328-K332 PolarHBondContact O-N 3.34Å; Q329-K332 PolarHBondContact O-N 3.44Å; Q330-K332 VanDerWaalsContact C-N 3.33Å; Q330-K332 PolarHBondContact O-N 3.29Å; K332-F335 PolarHBondContact O-N 2.9Å; K332-T336 WeakPolarHBondContact O-CB 3.4Å; K332-T336 PolarHBondContact O-N 3.24Å; K332-T336 PolarHBondContact O-OG1 2.82Å
333	V	85.3	Confident	74.6	Confident	72 Å²	72	95.9 Å²	95.9	44%	0.436	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-42.8	179.9	177.6	0	0	0	0	111.1	Q329 Q330 S331 T336 R337	Q329-V333 PolarHBondContact O-N 2.8Å; Q330-V333 PolarHBondContact O-N 3.17Å; S331-V333 PolarHBondContact O-N 3.38Å; V333-T336 PolarHBondContact O-N 2.9Å; V333-R337 WeakPolarHBondContact O-CG 3.49Å; V333-R337 PolarHBondContact O-N 3.49Å
334	E	88	Confident	77.2	Confident	89 Å²	89	95.5 Å²	95.5	42%	0.416	47%	0.471	S	S	.	.	H	α-helix	trans	-62.9	-45.4	176.7	-71.3	172.8	-179.1	0	0	111.6	L313 Q330 S331 T336 R337 A338	L313-E334 HydrophobicContact CD1-CB 4.19Å; L313-E334 HydrophobicContact CD2-CB 4.44Å; Q330-E334 WeakPolarHBondContact O-CG 3.37Å; Q330-E334 PolarHBondContact O-N 2.84Å; S331-E334 PolarHBondContact O-N 2.77Å; E334-T336 PolarHBondContact O-N 3.42Å; E334-R337 PolarHBondContact O-N 2.89Å; E334-A338 WeakPolarHBondContact O-CB 3.26Å; E334-A338 PolarHBondContact O-N 3.43Å
335	F	88.8	Confident	79.4	Confident	44 Å²	44	86.5 Å²	86.5	19%	0.193	44%	0.437	C	S	.	.	H	α-helix	trans	-62	-42.9	175.1	-86.7	-69.6	0	0	0	112.1	V124 L313 T314 S331 K332 A338 V339	V124-F335 HydrophobicContact CG1-CB 3.9Å; V124-F335 HydrophobicContact CG2-CB 3.91Å; L313-F335 HydrophobicContact CB-CD1 4.16Å; L313-F335 HydrophobicContact CB-CE1 3.52Å; L313-F335 HydrophobicContact CB-CE2 4.3Å; L313-F335 HydrophobicContact CB-CZ 3.58Å; L313-F335 HydrophobicContact CD1-CB 4.45Å; L313-F335 HydrophobicContact CD1-CD1 3.71Å; L313-F335 HydrophobicContact CD1-CD2 4.43Å; L313-F335 HydrophobicContact CD1-CE1 3.98Å; L313-F335 HydrophobicContact CD1-CG 3.94Å; L313-F335 HydrophobicContact CD1-CZ 4.42Å; L313-F335 HydrophobicContact CG-CE1 4.42Å; T314-F335 HydrophobicContact CG2-CE1 3.77Å; T314-F335 HydrophobicContact CG2-CZ 4.15Å; S331-F335 WeakPolarHBondContact O-CB 3.45Å; S331-F335 WeakPolarHBondContact O-CD2 3.48Å; S331-F335 PolarHBondContact O-N 3.25Å; S331-F335 WeakPolarHBondContact OG-CD2 3.29Å; S331-F335 VanDerWaalsContact OG-CE2 3.24Å; S331-F335 WeakPolarHBondContact OG-CE2 3.16Å; K332-F335 PolarHBondContact O-N 2.9Å; F335-A338 PolarHBondContact O-N 3.15Å; F335-V339 WeakPolarHBondContact O-CG2 3.37Å; F335-V339 PolarHBondContact O-N 3Å; F335-V339 VanDerWaalsContact O-N 3.12Å
336	T	90.4	Very high	81.8	Confident	56 Å²	56	88.1 Å²	88.1	34%	0.344	42%	0.423	S	S	.	.	H	α-helix	trans	-59.8	-49.9	177.2	-63.6	0	0	0	0	110.3	K332 V333 E334 A338 V339 T340	K332-T336 WeakPolarHBondContact O-CB 3.4Å; K332-T336 PolarHBondContact O-N 3.24Å; K332-T336 PolarHBondContact O-OG1 2.82Å; V333-T336 PolarHBondContact O-N 2.9Å; E334-T336 PolarHBondContact O-N 3.42Å; T336-A338 VanDerWaalsContact C-N 3.28Å; T336-A338 PolarHBondContact O-N 3.22Å; T336-V339 PolarHBondContact O-N 3.27Å; T336-T340 PolarHBondContact O-N 3.34Å; T336-T340 PolarHBondContact O-OG1 3Å
337	R	91.2	Very high	83.9	Confident	184 Å²	184	80.8 Å²	80.8	69%	0.694	40%	0.398	S	S	*	.	H	α-helix	trans	-58.7	-39.3	176.5	-73.2	177.3	176.3	-179.9	-1.6	112.5	V333 E334 V339	V333-R337 WeakPolarHBondContact O-CG 3.49Å; V333-R337 PolarHBondContact O-N 3.49Å; E334-R337 PolarHBondContact O-N 2.89Å; R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 3.28Å
338	A	92.8	Very high	85.9	Confident	18 Å²	18	75.7 Å²	75.7	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-65.9	-33.4	-179.6	0	0	0	0	0	112.8	V78 H309 L313 E334 F335 T336	V78-A338 WeakPolarHBondContact CG2-O 3.25Å; H309-A338 WeakPolarHBondContact CB-O 3.35Å; L313-A338 HydrophobicContact CD1-CB 3.77Å; E334-A338 WeakPolarHBondContact O-CB 3.26Å; E334-A338 PolarHBondContact O-N 3.43Å; F335-A338 PolarHBondContact O-N 3.15Å; T336-A338 VanDerWaalsContact C-N 3.28Å; T336-A338 PolarHBondContact O-N 3.22Å
339	V	93.2	Very high	87.6	Confident	10 Å²	10	69.2 Å²	69.2	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-97.9	-8.2	-178	-55.1	0	0	0	0	114	I122 V124 F335 T336 R337 V341	I122-V339 HydrophobicContact CG2-CB 4.08Å; I122-V339 HydrophobicContact CG2-CG2 3.99Å; V124-V339 HydrophobicContact CG2-CG2 3.68Å; F335-V339 WeakPolarHBondContact O-CG2 3.37Å; F335-V339 PolarHBondContact O-N 3Å; F335-V339 VanDerWaalsContact O-N 3.12Å; T336-V339 PolarHBondContact O-N 3.27Å; R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 3.28Å; V339-V341 PolarHBondContact O-N 2.92Å
340	T	93.8	Very high	89.3	Confident	74 Å²	74	62.3 Å²	62.3	45%	0.454	32%	0.316	S	S	.	.			trans	-75.1	109.7	173.3	-61.3	0	0	0	0	109.4	V78 T336	V78-T340 WeakPolarHBondContact CG1-O 3.35Å; T336-T340 PolarHBondContact O-N 3.34Å; T336-T340 PolarHBondContact O-OG1 3Å
341	V	95.2	Very high	91	Very high	17 Å²	17	55.7 Å²	55.7	10%	0.103	29%	0.285	C	S	.	.			trans	-70.2	152.9	174	-65.5	0	0	0	0	111.9	D77 V339 I345 R346 Y350	D77-V341 HydrophobicContact CB-CG1 4.44Å; V339-V341 PolarHBondContact O-N 2.92Å; V341-I345 HydrophobicContact CB-CD1 4.19Å; V341-I345 HydrophobicContact CB-CG1 4.24Å; V341-I345 HydrophobicContact CG1-CD1 4.45Å; V341-R346 HydrophobicContact CG2-CB 4.38Å; V341-Y350 HydrophobicContact CG1-CD1 4.46Å; V341-Y350 HydrophobicContact CG1-CD2 4.1Å; V341-Y350 HydrophobicContact CG1-CE1 3.95Å; V341-Y350 HydrophobicContact CG1-CE2 3.57Å; V341-Y350 VanDerWaalsContact CG1-CZ 3.48Å; V341-Y350 HydrophobicContact CG2-CE1 4.06Å
342	H	95.3	Very high	91.8	Very high	62 Å²	62	54.1 Å²	54.1	29%	0.287	27%	0.273	S	S	.	.			trans	-61.3	142.2	175.7	-170.3	-74.4	0	0	0	111.2	D77 K79 G81 N344 I345 R346	D77-H342 WeakPolarHBondContact O-CB 3.19Å; D77-H342 PolarHBondContact O-N 3.46Å; K79-H342 PolarHBondContact O-CD2 3.36Å; G81-H342 VanDerWaalsContact CA-CB 3.41Å; H342-N344 VanDerWaalsContact C-N 3.25Å; H342-N344 PolarHBondContact CE1-ND2 2.85Å; H342-N344 VanDerWaalsContact CE1-ND2 3.27Å; H342-N344 WeakPolarHBondContact ND1-CB 3.08Å; H342-N344 PolarHBondContact ND1-N 3.08Å; H342-N344 PolarHBondContact O-N 2.82Å; H342-N344 VanDerWaalsContact O-N 3.15Å; H342-I345 WeakPolarHBondContact O-CG1 3.49Å; H342-I345 PolarHBondContact O-N 3.03Å; H342-R346 PolarHBondContact O-N 3.32Å
343	D	93	Very high	92.3	Very high	111 Å²	111	53.1 Å²	53.1	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-57.2	-36.2	-172.7	-74.9	-40.3	0	0	0	113.3	I345 R346	D343-I345 PolarHBondContact O-N 3.2Å; D343-I345 VanDerWaalsContact O-N 3.07Å; D343-R346 WeakPolarHBondContact O-CB 3.46Å; D343-R346 PolarHBondContact O-N 3.45Å; D343-R346 VanDerWaalsContact O-N 3.09Å; D343-R346 IonicContact OD1-NH1 2.97Å
344	N	92.6	Very high	92.7	Very high	112 Å²	112	52.1 Å²	52.1	60%	0.599	26%	0.262	S	S	*	.	H	α-helix	trans	-51.6	-29.2	175.5	-67.2	-3.6	0	0	0	115.4	G81 H342	G81-N344 WeakPolarHBondContact O-CB 3.36Å; H342-N344 VanDerWaalsContact C-N 3.25Å; H342-N344 PolarHBondContact CE1-ND2 2.85Å; H342-N344 VanDerWaalsContact CE1-ND2 3.27Å; H342-N344 WeakPolarHBondContact ND1-CB 3.08Å; H342-N344 PolarHBondContact ND1-N 3.08Å; H342-N344 PolarHBondContact O-N 2.82Å; H342-N344 VanDerWaalsContact O-N 3.15Å
345	I	93.8	Very high	93	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-115.8	4.8	-179.2	61.8	161.1	0	0	0	112.8	D77 G81 M83 V341 H342 D343 S347 T348 Y350	D77-I345 HydrophobicContact CB-CD1 3.65Å; D77-I345 WeakPolarHBondContact O-CD1 3.36Å; G81-I345 WeakPolarHBondContact O-CG2 3.12Å; M83-I345 HydrophobicContact CG-CG2 4.15Å; M83-I345 HydrophobicContact SD-CB 4.33Å; M83-I345 HydrophobicContact SD-CG2 3.93Å; V341-I345 HydrophobicContact CB-CD1 4.19Å; V341-I345 HydrophobicContact CB-CG1 4.24Å; V341-I345 HydrophobicContact CG1-CD1 4.45Å; H342-I345 WeakPolarHBondContact O-CG1 3.49Å; H342-I345 PolarHBondContact O-N 3.03Å; D343-I345 PolarHBondContact O-N 3.2Å; D343-I345 VanDerWaalsContact O-N 3.07Å; I345-S347 PolarHBondContact O-N 2.95Å; I345-T348 PolarHBondContact O-N 3.31Å; I345-T348 VanDerWaalsContact O-N 3.08Å; I345-T348 PolarHBondContact O-OG1 2.79Å; I345-Y350 HydrophobicContact CD1-CD2 4.48Å; I345-Y350 HydrophobicContact CD1-CG 4.03Å
346	R	92.4	Very high	93.2	Very high	99 Å²	99	50.4 Å²	50.4	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-34.1	-176.3	-176.7	178.5	179.7	165.8	1.8	112.5	E141 V341 H342 D343	E141-R346 IonicContact OE1-CZ 3.91Å; E141-R346 IonicContact OE1-NE 2.79Å; E141-R346 PolarHBondContact OE1-NE 3.22Å; E141-R346 VanDerWaalsContact OE1-NE 3.14Å; E141-R346 IonicContact OE1-NH2 2.67Å; E141-R346 PolarHBondContact OE1-NH2 2.99Å; E141-R346 IonicContact OE2-NH2 3.79Å; E141-R346 PolarHBondContact OE2-NH2 3.26Å; V341-R346 HydrophobicContact CG2-CB 4.38Å; H342-R346 PolarHBondContact O-N 3.32Å; D343-R346 WeakPolarHBondContact O-CB 3.46Å; D343-R346 PolarHBondContact O-N 3.45Å; D343-R346 VanDerWaalsContact O-N 3.09Å; D343-R346 IonicContact OD1-NH1 2.97Å
347	S	91.8	Very high	93.4	Very high	57 Å²	57	50.1 Å²	50.1	40%	0.399	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.3	178	55.7	0	0	0	0	113.9	Y118 S119 I345	Y118-S347 PolarHBondContact N-O 3.02Å; S119-S347 VanDerWaalsContact OG-CA 3.27Å; S119-S347 WeakPolarHBondContact OG-CA 3.25Å; S119-S347 PolarHBondContact OG-O 3.49Å; I345-S347 PolarHBondContact O-N 2.95Å
348	T	93.3	Very high	93.6	Very high	23 Å²	23	41.1 Å²	41.1	14%	0.141	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-93.8	167.4	-171	76.9	0	0	0	0	113	M83 Y118 I345 Y350	M83-T348 PolarHBondContact SD-OG1 3.01Å; M83-T348 VanDerWaalsContact SD-OG1 3.42Å; Y118-T348 CarbonylContact O-C 3.6Å; I345-T348 PolarHBondContact O-N 3.31Å; I345-T348 VanDerWaalsContact O-N 3.08Å; I345-T348 PolarHBondContact O-OG1 2.79Å; T348-Y350 PolarHBondContact O-N 3.2Å
349	M	94.7	Very high	93.6	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.064	23%	0.227	C	C	.	.			trans	-80.8	47.2	174	-52.2	-159.7	69.8	0	0	113.1	M113 G116 Y118 F298 F351 V352	M113-M349 HydrophobicContact CB-SD 4.23Å; M113-M349 HydrophobicContact CE-CE 3.51Å; M113-M349 HydrophobicContact CE-SD 3.85Å; M113-M349 VanDerWaalsContact O-CB 3.29Å; M113-M349 WeakPolarHBondContact O-CB 3.18Å; M113-M349 WeakPolarHBondContact O-CG 3.36Å; G116-M349 PolarHBondContact O-N 3.25Å; Y118-M349 HydrophobicContact CD1-CE 4.22Å; Y118-M349 HydrophobicContact CG-CE 4.05Å; F298-M349 HydrophobicContact CD1-CE 4.1Å; F298-M349 HydrophobicContact CD2-CE 4.06Å; F298-M349 HydrophobicContact CE1-CE 3.89Å; F298-M349 HydrophobicContact CE2-CE 3.83Å; F298-M349 HydrophobicContact CG-CE 4.2Å; F298-M349 HydrophobicContact CZ-CE 3.75Å; M349-F351 HydrophobicContact CB-CZ 4.32Å; M349-F351 HydrophobicContact CE-CE2 4Å; M349-F351 HydrophobicContact CE-CZ 4.01Å; M349-F351 PolarHBondContact O-N 3.07Å; M349-V352 HydrophobicContact CB-CB 4.41Å; M349-V352 HydrophobicContact CB-CG2 3.79Å; M349-V352 HydrophobicContact CE-CG2 3.81Å; M349-V352 WeakPolarHBondContact O-CB 3.36Å; M349-V352 PolarHBondContact O-N 2.93Å; M349-V352 VanDerWaalsContact O-N 3.07Å; M349-V352 HydrophobicContact SD-CG2 4.48Å
350	Y	94.8	Very high	93.7	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.016	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.7	-174	71	-87.4	0	0	0	113.3	I122 R305 H309 V341 I345 T348 V352	I122-Y350 WeakPolarHBondContact CD1-OH 3.27Å; R305-Y350 HydrophobicContact CB-CE2 4.39Å; R305-Y350 HydrophobicContact CG-CD2 3.96Å; R305-Y350 HydrophobicContact CG-CE2 3.62Å; R305-Y350 PolarHBondContact NH1-O 3.24Å; R305-Y350 PolarHBondContact NH2-O 3.35Å; H309-Y350 AromaticContact CE1-CE2 3.79Å; V341-Y350 HydrophobicContact CG1-CD1 4.46Å; V341-Y350 HydrophobicContact CG1-CD2 4.1Å; V341-Y350 HydrophobicContact CG1-CE1 3.95Å; V341-Y350 HydrophobicContact CG1-CE2 3.57Å; V341-Y350 VanDerWaalsContact CG1-CZ 3.48Å; V341-Y350 HydrophobicContact CG2-CE1 4.06Å; I345-Y350 HydrophobicContact CD1-CD2 4.48Å; I345-Y350 HydrophobicContact CD1-CG 4.03Å; T348-Y350 PolarHBondContact O-N 3.2Å; Y350-V352 VanDerWaalsContact C-N 3.28Å; Y350-V352 PolarHBondContact O-N 2.75Å
351	F	94.3	Very high	93.6	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.018	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.3	-177.5	52.5	-96	0	0	0	115.2	Y118 A120 F298 L301 A302 R305 M349	Y118-F351 AromaticContact CD1-CZ 3.96Å; Y118-F351 HydrophobicContact CD1-CZ 3.96Å; A120-F351 HydrophobicContact CB-CD1 3.79Å; A120-F351 HydrophobicContact CB-CE1 3.58Å; A120-F351 HydrophobicContact CB-CZ 4.43Å; F298-F351 HydrophobicContact CB-CE2 3.71Å; F298-F351 HydrophobicContact CB-CZ 4.23Å; F298-F351 HydrophobicContact CD1-CE2 4.09Å; F298-F351 HydrophobicContact CG-CE2 4.02Å; L301-F351 HydrophobicContact CB-CB 4.41Å; L301-F351 HydrophobicContact CB-CD2 3.88Å; A302-F351 HydrophobicContact CB-CB 4.27Å; A302-F351 HydrophobicContact CB-CD1 4.24Å; A302-F351 HydrophobicContact CB-CG 4.12Å; R305-F351 HydrophobicContact CB-CB 4.12Å; R305-F351 VanDerWaalsContact NH2-CA 3.33Å; R305-F351 PolarHBondContact NH2-O 2.62Å; R305-F351 VanDerWaalsContact NH2-O 3.15Å; M349-F351 HydrophobicContact CB-CZ 4.32Å; M349-F351 HydrophobicContact CE-CE2 4Å; M349-F351 HydrophobicContact CE-CZ 4.01Å; M349-F351 PolarHBondContact O-N 3.07Å
352	V	92.5	Very high	93.5	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.055	23%	0.233	C	C	.	.			trans	-70.4	0	174.6	174.3	0	0	0	0	111.2	K110 M113 K114 R285 R305 M349 Y350	K110-V352 HydrophobicContact CB-CG1 4.49Å; K110-V352 HydrophobicContact CG-CG1 4.44Å; M113-V352 HydrophobicContact CB-CG1 3.89Å; M113-V352 HydrophobicContact CB-CG2 4.49Å; M113-V352 HydrophobicContact CE-CG1 4.27Å; M113-V352 HydrophobicContact CE-CG2 3.8Å; M113-V352 HydrophobicContact CG-CG1 4.48Å; M113-V352 HydrophobicContact SD-CG1 3.71Å; M113-V352 HydrophobicContact SD-CG2 4.34Å; K114-V352 WeakPolarHBondContact CE-OXT 3.38Å; K114-V352 HydrophobicContact CG-CB 4.45Å; R285-V352 HydrophobicContact CG-CG1 3.62Å; R285-V352 PolarHBondContact NH1-O 3Å; R285-V352 VanDerWaalsContact NH1-O 3.14Å; R305-V352 PolarHBondContact NH2-OXT 3.39Å; M349-V352 HydrophobicContact CB-CB 4.41Å; M349-V352 HydrophobicContact CB-CG2 3.79Å; M349-V352 HydrophobicContact CE-CG2 3.81Å; M349-V352 WeakPolarHBondContact O-CB 3.36Å; M349-V352 PolarHBondContact O-N 2.93Å; M349-V352 VanDerWaalsContact O-N 3.07Å; M349-V352 HydrophobicContact SD-CG2 4.48Å; Y350-V352 VanDerWaalsContact C-N 3.28Å; Y350-V352 PolarHBondContact O-N 2.75Å

Retrieved 352 of 352 residues in 73.5 ms (Link to these results)

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