A0A077Z6H9_TRITR Loading...

General transcription factor IIE subunit 1

AlphaFold DB , UniProt , Accession A0A077Z6H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	46.3	Very low	242 Å²	242	129.2 Å²	129.2	100%	1.192	81%	0.812	S	S	*	*				0	85.4	0	-73.1	-163.6	173	0	0	106.2
2	D	36.4	Very low	47.8	Very low	167 Å²	167	131.5 Å²	131.5	89%	0.893	81%	0.806	S	S	*	*			trans	-62.1	130.1	-172.1	-72.8	-83.8	0	0	0	113.2
3	A	44.5	Very low	49.1	Very low	102 Å²	102	125.6 Å²	125.6	84%	0.843	77%	0.769	S	S	*	*			trans	-121.1	65.4	164.2	0	0	0	0	0	108.2	G5	A3-G5 PolarHBondContact O-N 2.75Å; A3-G5 VanDerWaalsContact O-N 3.12Å
4	G	39.9	Very low	51	Low	77 Å²	77	121.5 Å²	121.5	79%	0.794	75%	0.746	S	S	*	*			trans	-74.6	89.1	168.7	0	0	0	0	0	110	G6	G4-G6 PolarHBondContact O-N 2.9Å
5	G	42.3	Very low	52.7	Low	71 Å²	71	120.9 Å²	120.9	73%	0.732	74%	0.736	S	S	*	*			trans	-71.5	92.2	170.5	0	0	0	0	0	110.5	A3 V7	A3-G5 PolarHBondContact O-N 2.75Å; A3-G5 VanDerWaalsContact O-N 3.12Å; G5-V7 PolarHBondContact O-N 3.22Å
6	G	40.3	Very low	54.5	Low	70 Å²	70	121.1 Å²	121.1	72%	0.722	73%	0.732	S	S	*	*			trans	-58.8	116.4	173.7	0	0	0	0	0	111.4	G4 K8	G4-G6 PolarHBondContact O-N 2.9Å; G6-K8 PolarHBondContact O-N 2.94Å; G6-K8 VanDerWaalsContact O-N 3.11Å
7	V	51.3	Low	56	Low	131 Å²	131	115.8 Å²	115.8	79%	0.794	70%	0.697	S	S	*	*			trans	-71.7	100.4	174.6	179.3	0	0	0	0	107.9	G5 V9	G5-V7 PolarHBondContact O-N 3.22Å; V7-V9 PolarHBondContact O-N 3.44Å; V7-V9 VanDerWaalsContact O-N 3.1Å
8	K	50	Low	57.4	Low	191 Å²	191	110.6 Å²	110.6	83%	0.83	67%	0.665	S	S	*	*			trans	-67.9	105.8	168.9	-67.6	-176.2	178.9	-177.7	0	108.5	G6 V10	G6-K8 PolarHBondContact O-N 2.94Å; G6-K8 VanDerWaalsContact O-N 3.11Å; K8-V10 PolarHBondContact O-N 3.35Å
9	V	51.7	Low	58.8	Low	112 Å²	112	113.3 Å²	113.3	68%	0.679	66%	0.662	S	S	*	*			trans	-70.7	108.2	169.4	-175.1	0	0	0	0	106.9	V7 N11	V7-V9 PolarHBondContact O-N 3.44Å; V7-V9 VanDerWaalsContact O-N 3.1Å; V9-N11 PolarHBondContact O-N 3.02Å
10	V	52.5	Low	60.1	Low	104 Å²	104	110.8 Å²	110.8	63%	0.63	65%	0.646	S	S	*	*			trans	-80.7	106.3	177.5	-171	0	0	0	0	107.1	K8 E12	K8-V10 PolarHBondContact O-N 3.35Å; V10-E12 WeakPolarHBondContact CG1-O 3.01Å; V10-E12 PolarHBondContact O-N 3.1Å
11	N	57	Low	61	Low	154 Å²	154	105.5 Å²	105.5	82%	0.824	62%	0.615	S	S	*	*	S	Bend	trans	-75.6	0.5	-179	-68.7	-26	0	0	0	113.7	V9	V9-N11 PolarHBondContact O-N 3.02Å
12	E	63.9	Low	62.8	Low	157 Å²	157	99.1 Å²	99.1	73%	0.734	58%	0.578	S	S	*	*	S	Bend	trans	-120	127.7	173.4	-65.2	-178.6	177.4	0	0	109.3	V10 P14	V10-E12 WeakPolarHBondContact CG1-O 3.01Å; V10-E12 PolarHBondContact O-N 3.1Å; E12-P14 WeakPolarHBondContact O-CD 3.41Å
13	V	65.2	Low	65	Low	55 Å²	55	96.7 Å²	96.7	33%	0.333	56%	0.564	S	S	.	*			trans	-68.6	118.1	177.7	-176.5	0	0	0	0	108.2	D15 M17 L18 Y104	V13-D15 PolarHBondContact O-N 3.34Å; V13-M17 HydrophobicContact CG1-CB 4.29Å; V13-M17 HydrophobicContact CG1-CG 4.45Å; V13-L18 HydrophobicContact CB-CD2 4.24Å; V13-L18 HydrophobicContact CG1-CD2 3.49Å; V13-L18 VanDerWaalsContact CG1-CD2 3.49Å; V13-L18 HydrophobicContact CG1-CG 3.93Å; V13-Y104 HydrophobicContact CB-CE2 4.37Å; V13-Y104 HydrophobicContact CG1-CE1 3.71Å; V13-Y104 HydrophobicContact CG1-CE2 3.91Å; V13-Y104 WeakPolarHBondContact CG1-OH 3.49Å; V13-Y104 HydrophobicContact CG2-CE2 3.55Å; V13-Y104 VanDerWaalsContact CG2-OH 3.26Å; V13-Y104 WeakPolarHBondContact CG2-OH 3.18Å
14	P	75.3	Confident	66.9	Low	68 Å²	68	92.5 Å²	92.5	44%	0.442	53%	0.528	S	S	.	.			trans	-60.8	135.2	-177.3	-24.2	34.8	0	0	0	111.5	E12 N16 M17 L18	E12-P14 WeakPolarHBondContact O-CD 3.41Å; P14-N16 PolarHBondContact O-N 3.37Å; P14-M17 WeakPolarHBondContact O-CA 3.37Å; P14-M17 WeakPolarHBondContact O-CB 3.33Å; P14-M17 PolarHBondContact O-N 2.87Å; P14-L18 PolarHBondContact O-N 2.86Å
15	D	76.8	Confident	68.6	Low	112 Å²	112	89.2 Å²	89.2	60%	0.599	49%	0.492	S	S	*	.	H	α-helix	trans	-52.6	-34.9	-179.3	-75.9	-36	0	0	0	113.7	V13 M17 L18 R19	V13-D15 PolarHBondContact O-N 3.34Å; D15-M17 PolarHBondContact O-N 2.84Å; D15-L18 WeakPolarHBondContact O-CB 3.4Å; D15-L18 PolarHBondContact O-N 3.47Å; D15-R19 WeakPolarHBondContact O-CG 3.34Å; D15-R19 PolarHBondContact O-N 3.1Å
16	N	81.1	Confident	70.4	Confident	125 Å²	125	93.1 Å²	93.1	67%	0.668	49%	0.489	S	S	*	.	H	α-helix	trans	-60.3	-35.9	176.7	-67.9	-33.1	0	0	0	111.9	P14 L20	P14-N16 PolarHBondContact O-N 3.37Å; N16-L20 WeakPolarHBondContact O-CB 3.46Å; N16-L20 PolarHBondContact O-N 3.33Å
17	M	80.7	Confident	72.3	Confident	30 Å²	30	93.5 Å²	93.5	15%	0.148	49%	0.486	C	S	.	.	H	α-helix	trans	-69.3	-42.3	177.1	-171.3	152.2	-141.4	0	0	111	V13 P14 D15 R19 L20 I21 Y104 M107 L108	V13-M17 HydrophobicContact CG1-CB 4.29Å; V13-M17 HydrophobicContact CG1-CG 4.45Å; P14-M17 WeakPolarHBondContact O-CA 3.37Å; P14-M17 WeakPolarHBondContact O-CB 3.33Å; P14-M17 PolarHBondContact O-N 2.87Å; D15-M17 PolarHBondContact O-N 2.84Å; M17-R19 PolarHBondContact O-N 3.43Å; M17-L20 WeakPolarHBondContact O-CB 3.47Å; M17-L20 PolarHBondContact O-N 3.13Å; M17-I21 HydrophobicContact CG-CD1 4.1Å; M17-I21 WeakPolarHBondContact O-CD1 3.28Å; M17-I21 WeakPolarHBondContact O-CG1 3.41Å; M17-I21 PolarHBondContact O-N 2.83Å; M17-Y104 HydrophobicContact CE-CD1 3.51Å; M17-Y104 HydrophobicContact CE-CG 3.71Å; M17-Y104 HydrophobicContact CG-CD1 3.66Å; M17-Y104 HydrophobicContact CG-CE1 4.03Å; M17-Y104 HydrophobicContact CG-CG 4.44Å; M17-Y104 HydrophobicContact SD-CD1 3.29Å; M17-Y104 WeakPolarHBondContact SD-CD1 3.36Å; M17-Y104 HydrophobicContact SD-CD2 4.39Å; M17-Y104 HydrophobicContact SD-CE1 4.09Å; M17-Y104 HydrophobicContact SD-CG 3.48Å; M17-M107 HydrophobicContact CE-CE 3.86Å; M17-L108 HydrophobicContact CE-CD1 3.5Å; M17-L108 HydrophobicContact CE-CD2 4.07Å; M17-L108 HydrophobicContact CE-CG 3.58Å
18	L	80.2	Confident	73.5	Confident	22 Å²	22	91 Å²	91	12%	0.115	47%	0.465	C	S	.	.	H	α-helix	trans	-62.3	-43	176	-58.3	-177.8	0	0	0	111.8	V13 P14 D15 I21 R22 I46	V13-L18 HydrophobicContact CB-CD2 4.24Å; V13-L18 HydrophobicContact CG1-CD2 3.49Å; V13-L18 VanDerWaalsContact CG1-CD2 3.49Å; V13-L18 HydrophobicContact CG1-CG 3.93Å; P14-L18 PolarHBondContact O-N 2.86Å; D15-L18 WeakPolarHBondContact O-CB 3.4Å; D15-L18 PolarHBondContact O-N 3.47Å; L18-I21 HydrophobicContact CD2-CD1 4.49Å; L18-I21 PolarHBondContact O-N 3.4Å; L18-R22 WeakPolarHBondContact O-CG 3.13Å; L18-R22 PolarHBondContact O-N 3.29Å; L18-I46 HydrophobicContact CD1-CG2 4Å; L18-I46 HydrophobicContact CD2-CB 4.24Å; L18-I46 HydrophobicContact CD2-CD1 3.87Å; L18-I46 HydrophobicContact CD2-CG1 3.78Å; L18-I46 HydrophobicContact CD2-CG2 3.42Å; L18-I46 VanDerWaalsContact CD2-CG2 3.42Å; L18-I46 HydrophobicContact CG-CG2 4.31Å
19	R	84.1	Confident	74.7	Confident	162 Å²	162	83.5 Å²	83.5	61%	0.611	43%	0.431	S	S	*	.	H	α-helix	trans	-61.5	-44.1	174.8	-69.8	175.5	-173.9	-159.4	2.5	111.6	D15 M17 I21 R22 L23	D15-R19 WeakPolarHBondContact O-CG 3.34Å; D15-R19 PolarHBondContact O-N 3.1Å; M17-R19 PolarHBondContact O-N 3.43Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-I21 PolarHBondContact O-N 2.89Å; R19-R22 PolarHBondContact O-N 2.78Å; R19-L23 WeakPolarHBondContact O-CG 3.42Å; R19-L23 PolarHBondContact O-N 3.26Å
20	L	84.6	Confident	75.4	Confident	63 Å²	63	80 Å²	80	33%	0.33	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.5	-176.9	70	0	0	0	111.1	N16 M17 R22 L23 V24 L108	N16-L20 WeakPolarHBondContact O-CB 3.46Å; N16-L20 PolarHBondContact O-N 3.33Å; M17-L20 WeakPolarHBondContact O-CB 3.47Å; M17-L20 PolarHBondContact O-N 3.13Å; L20-R22 PolarHBondContact O-N 2.91Å; L20-L23 PolarHBondContact O-N 3.07Å; L20-L23 VanDerWaalsContact O-N 3.16Å; L20-V24 HydrophobicContact CD1-CG2 4.26Å; L20-V24 HydrophobicContact CG-CG2 4.21Å; L20-V24 WeakPolarHBondContact O-CB 3.47Å; L20-V24 VanDerWaalsContact O-CG2 3.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 2.81Å; L20-L108 HydrophobicContact CD2-CD2 3.52Å
21	I	80.8	Confident	75.7	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-58.5	-48	178.3	-71	163.1	0	0	0	111.2	M17 L18 R19 L23 V24 T25 I42 I46 Y104 M107	M17-I21 HydrophobicContact CG-CD1 4.1Å; M17-I21 WeakPolarHBondContact O-CD1 3.28Å; M17-I21 WeakPolarHBondContact O-CG1 3.41Å; M17-I21 PolarHBondContact O-N 2.83Å; L18-I21 HydrophobicContact CD2-CD1 4.49Å; L18-I21 PolarHBondContact O-N 3.4Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-I21 PolarHBondContact O-N 2.89Å; I21-L23 VanDerWaalsContact C-N 3.27Å; I21-L23 PolarHBondContact O-N 2.98Å; I21-V24 PolarHBondContact O-N 3.2Å; I21-T25 HydrophobicContact CG2-CG2 4.28Å; I21-T25 WeakPolarHBondContact O-CB 3.3Å; I21-T25 WeakPolarHBondContact O-CG2 3.38Å; I21-T25 PolarHBondContact O-N 3.47Å; I21-T25 PolarHBondContact O-OG1 2.83Å; I21-I42 HydrophobicContact CG2-CG2 3.36Å; I21-I46 HydrophobicContact CG2-CD1 4.27Å; I21-Y104 HydrophobicContact CD1-CD1 3.87Å; I21-Y104 HydrophobicContact CD1-CE1 3.43Å; I21-Y104 VanDerWaalsContact CD1-CE1 3.43Å; I21-M107 HydrophobicContact CD1-CE 3.84Å; I21-M107 HydrophobicContact CD1-SD 4.09Å; I21-M107 HydrophobicContact CG1-CE 3.38Å; I21-M107 HydrophobicContact CG1-SD 3.44Å; I21-M107 WeakPolarHBondContact CG1-SD 3.48Å
22	R	80.1	Confident	75.9	Confident	109 Å²	109	80.6 Å²	80.6	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-34.9	177.8	-72	177.4	178.1	147.1	4	112.5	L18 R19 L20 T25 K26 D43	L18-R22 WeakPolarHBondContact O-CG 3.13Å; L18-R22 PolarHBondContact O-N 3.29Å; R19-R22 PolarHBondContact O-N 2.78Å; L20-R22 PolarHBondContact O-N 2.91Å; R22-T25 WeakPolarHBondContact CA-OG1 3.42Å; R22-T25 PolarHBondContact O-OG1 2.96Å; R22-K26 WeakPolarHBondContact O-CB 3.22Å; R22-K26 WeakPolarHBondContact O-CD 3.41Å; R22-K26 WeakPolarHBondContact O-CG 3.11Å; R22-K26 PolarHBondContact O-N 3.39Å; R22-D43 IonicContact CZ-OD1 2.74Å; R22-D43 VanDerWaalsContact CZ-OD1 3.32Å; R22-D43 IonicContact NE-OD1 3.72Å; R22-D43 PolarHBondContact NE-OD1 3.21Å; R22-D43 IonicContact NH2-OD1 2.69Å; R22-D43 PolarHBondContact NH2-OD1 2.87Å
23	L	83.2	Confident	75.6	Confident	115 Å²	115	82.1 Å²	82.1	60%	0.602	43%	0.425	S	S	*	.	H	α-helix	trans	-71.5	-47.2	175.7	-76.4	165.6	0	0	0	111.9	R19 L20 I21 T25 K26 A27	R19-L23 WeakPolarHBondContact O-CG 3.42Å; R19-L23 PolarHBondContact O-N 3.26Å; L20-L23 PolarHBondContact O-N 3.07Å; L20-L23 VanDerWaalsContact O-N 3.16Å; I21-L23 VanDerWaalsContact C-N 3.27Å; I21-L23 PolarHBondContact O-N 2.98Å; L23-T25 VanDerWaalsContact C-N 3.33Å; L23-T25 PolarHBondContact O-N 2.88Å; L23-K26 PolarHBondContact O-N 3.34Å; L23-A27 VanDerWaalsContact O-CB 3.24Å; L23-A27 WeakPolarHBondContact O-CB 3.43Å; L23-A27 PolarHBondContact O-N 2.76Å
24	V	83.3	Confident	75.4	Confident	15 Å²	15	82.7 Å²	82.7	9%	0.091	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-45.3	179.3	168.7	0	0	0	0	110.4	L20 I21 K26 A27 F28 V111	L20-V24 HydrophobicContact CD1-CG2 4.26Å; L20-V24 HydrophobicContact CG-CG2 4.21Å; L20-V24 WeakPolarHBondContact O-CB 3.47Å; L20-V24 VanDerWaalsContact O-CG2 3.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 2.81Å; I21-V24 PolarHBondContact O-N 3.2Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 2.75Å; V24-A27 PolarHBondContact O-N 3.06Å; V24-F28 HydrophobicContact CB-CD2 4.4Å; V24-F28 HydrophobicContact CG1-CD2 3.65Å; V24-F28 HydrophobicContact CG1-CE2 3.99Å; V24-F28 WeakPolarHBondContact O-CD2 3.36Å; V24-F28 PolarHBondContact O-N 2.75Å; V24-V111 HydrophobicContact CG1-CG2 3.8Å; V24-V111 HydrophobicContact CG2-CG1 4.19Å; V24-V111 HydrophobicContact CG2-CG2 3.85Å
25	T	77	Confident	74.7	Confident	7 Å²	7	80.7 Å²	80.7	4%	0.043	41%	0.414	C	S	.	.	H	α-helix	trans	-64.8	-37.4	179.8	50.1	0	0	0	0	112.5	I21 R22 L23 Y29 L38 I42	I21-T25 HydrophobicContact CG2-CG2 4.28Å; I21-T25 WeakPolarHBondContact O-CB 3.3Å; I21-T25 WeakPolarHBondContact O-CG2 3.38Å; I21-T25 PolarHBondContact O-N 3.47Å; I21-T25 PolarHBondContact O-OG1 2.83Å; R22-T25 WeakPolarHBondContact CA-OG1 3.42Å; R22-T25 PolarHBondContact O-OG1 2.96Å; L23-T25 VanDerWaalsContact C-N 3.33Å; L23-T25 PolarHBondContact O-N 2.88Å; T25-Y29 WeakPolarHBondContact O-CB 3.19Å; T25-Y29 WeakPolarHBondContact O-CD2 3.39Å; T25-Y29 PolarHBondContact O-N 3.27Å; T25-L38 HydrophobicContact CG2-CD2 4.12Å; T25-I42 HydrophobicContact CG2-CD1 3.18Å
26	K	79.6	Confident	74	Confident	153 Å²	153	78.5 Å²	78.5	67%	0.665	41%	0.412	S	S	*	.	H	α-helix	trans	-72.9	-30.3	173.1	-72.3	176.2	180	-176.7	0	113.9	R22 L23 V24	R22-K26 WeakPolarHBondContact O-CB 3.22Å; R22-K26 WeakPolarHBondContact O-CD 3.41Å; R22-K26 WeakPolarHBondContact O-CG 3.11Å; R22-K26 PolarHBondContact O-N 3.39Å; L23-K26 PolarHBondContact O-N 3.34Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 2.75Å
27	A	79.9	Confident	73.1	Confident	79 Å²	79	74.9 Å²	74.9	65%	0.653	39%	0.392	S	S	*	.	H	α-helix	trans	-83.3	-42.3	-175.1	0	0	0	0	0	112.9	L23 V24	L23-A27 VanDerWaalsContact O-CB 3.24Å; L23-A27 WeakPolarHBondContact O-CB 3.43Å; L23-A27 PolarHBondContact O-N 2.76Å; V24-A27 PolarHBondContact O-N 3.06Å
28	F	76.5	Confident	72.6	Confident	79 Å²	79	73.5 Å²	73.5	35%	0.346	39%	0.386	S	S	.	.	H	α-helix	trans	-88.4	-31.5	-175.5	-74.3	-76.8	0	0	0	113.4	V24 K114 M118	V24-F28 HydrophobicContact CB-CD2 4.4Å; V24-F28 HydrophobicContact CG1-CD2 3.65Å; V24-F28 HydrophobicContact CG1-CE2 3.99Å; V24-F28 WeakPolarHBondContact O-CD2 3.36Å; V24-F28 PolarHBondContact O-N 2.75Å; F28-K114 HydrophobicContact CD1-CD 4.29Å; F28-K114 HydrophobicContact CE1-CB 4.14Å; F28-K114 HydrophobicContact CE1-CD 3.97Å; F28-K114 HydrophobicContact CZ-CB 4.11Å; F28-K114 HydrophobicContact CZ-CD 4.28Å; F28-M118 HydrophobicContact CE1-SD 4.13Å
29	Y	75.7	Confident	72.2	Confident	33 Å²	33	73.3 Å²	73.3	13%	0.129	39%	0.389	C	S	.	.	S	Bend	trans	-99.7	110.6	173.6	-52	-79.8	0	0	0	106.6	T25 V35 L38 T73 D77 I79	T25-Y29 WeakPolarHBondContact O-CB 3.19Å; T25-Y29 WeakPolarHBondContact O-CD2 3.39Å; T25-Y29 PolarHBondContact O-N 3.27Å; Y29-V35 VanDerWaalsContact O-CG2 3.25Å; Y29-V35 WeakPolarHBondContact O-CG2 3.18Å; Y29-L38 HydrophobicContact CD2-CD2 3.39Å; Y29-L38 HydrophobicContact CE2-CD2 3.65Å; Y29-L38 HydrophobicContact CG-CD2 3.93Å; Y29-T73 HydrophobicContact CE1-CG2 3.74Å; Y29-D77 WeakPolarHBondContact OH-CB 3.24Å; Y29-D77 VanDerWaalsContact OH-CG 3.27Å; Y29-D77 PolarHBondContact OH-OD2 2.98Å; Y29-I79 HydrophobicContact CE2-CD1 4.06Å; Y29-I79 WeakPolarHBondContact OH-CD1 3.42Å
30	G	66.3	Low	71.8	Confident	39 Å²	39	69.2 Å²	69.2	40%	0.402	38%	0.382	S	S	.	.			trans	-72.4	172.2	-179.7	0	0	0	0	0	112.9	E32 V35	G30-E32 PolarHBondContact O-N 3.24Å; G30-V35 WeakPolarHBondContact O-CG2 3.37Å
31	P	59.1	Low	71.4	Confident	132 Å²	132	66.3 Å²	66.3	86%	0.857	37%	0.367	S	S	*	.	S	Bend	trans	-70	26	-159.5	31.2	-38.6	0	0	0	117.6
32	E	61.4	Low	71.2	Confident	138 Å²	138	66.4 Å²	66.4	65%	0.645	37%	0.367	S	S	*	.	S	Bend	trans	-65.3	150.6	170.3	-53.7	-54.8	153.3	0	0	110.1	G30 V34 V35	G30-E32 PolarHBondContact O-N 3.24Å; E32-V34 HydrophobicContact CB-CB 4.48Å; E32-V34 HydrophobicContact CB-CG2 4.41Å; E32-V34 CarbonylContact O-C 3.59Å; E32-V34 PolarHBondContact O-N 3.13Å; E32-V35 PolarHBondContact O-N 2.95Å
33	F	56.2	Low	71.1	Confident	189 Å²	189	64.2 Å²	64.2	83%	0.829	36%	0.364	S	S	*	.	H	α-helix	trans	-39.4	-35	177.4	-78.9	-88.7	0	0	0	113.2	V35 A36 L37	F33-V35 PolarHBondContact O-N 3.07Å; F33-V35 VanDerWaalsContact O-N 3.15Å; F33-A36 PolarHBondContact O-N 3.48Å; F33-L37 WeakPolarHBondContact O-CG 3.35Å; F33-L37 PolarHBondContact O-N 3.23Å
34	V	62.4	Low	70.9	Confident	66 Å²	66	59.9 Å²	59.9	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-48.5	-33.2	173.8	-174.1	0	0	0	0	114.1	E32 L37 L38 I70	E32-V34 HydrophobicContact CB-CB 4.48Å; E32-V34 HydrophobicContact CB-CG2 4.41Å; E32-V34 CarbonylContact O-C 3.59Å; E32-V34 PolarHBondContact O-N 3.13Å; V34-L37 CarbonylContact O-C 3.48Å; V34-L37 PolarHBondContact O-N 2.96Å; V34-L38 WeakPolarHBondContact O-CB 3.37Å; V34-L38 PolarHBondContact O-N 2.84Å; V34-I70 HydrophobicContact CG1-CD1 4.34Å; V34-I70 HydrophobicContact CG1-CG1 4.15Å
35	V	59.1	Low	70.7	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-78.7	-35.9	-175.9	176.9	0	0	0	0	113.6	Y29 G30 E32 F33 L37 L38 G39	Y29-V35 VanDerWaalsContact O-CG2 3.25Å; Y29-V35 WeakPolarHBondContact O-CG2 3.18Å; G30-V35 WeakPolarHBondContact O-CG2 3.37Å; E32-V35 PolarHBondContact O-N 2.95Å; F33-V35 PolarHBondContact O-N 3.07Å; F33-V35 VanDerWaalsContact O-N 3.15Å; V35-L37 PolarHBondContact O-N 2.77Å; V35-L38 PolarHBondContact O-N 3.24Å; V35-G39 PolarHBondContact O-N 2.76Å
36	A	61.8	Low	70.7	Confident	67 Å²	67	60.4 Å²	60.4	55%	0.554	34%	0.343	S	S	*	.	H	α-helix	trans	-60.8	-40.9	169.5	0	0	0	0	0	109.2	F33 V40	F33-A36 PolarHBondContact O-N 3.48Å; A36-V40 WeakPolarHBondContact O-CB 3.48Å; A36-V40 WeakPolarHBondContact O-CG2 2.85Å; A36-V40 PolarHBondContact O-N 2.9Å
37	L	64	Low	70.7	Confident	48 Å²	48	63.1 Å²	63.1	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-42.7	178.8	-49.4	-176.9	0	0	0	112.4	F33 V34 V35 V40 V41 F62 I70	F33-L37 WeakPolarHBondContact O-CG 3.35Å; F33-L37 PolarHBondContact O-N 3.23Å; V34-L37 CarbonylContact O-C 3.48Å; V34-L37 PolarHBondContact O-N 2.96Å; V35-L37 PolarHBondContact O-N 2.77Å; L37-V40 PolarHBondContact O-N 3.24Å; L37-V41 WeakPolarHBondContact O-CB 3.18Å; L37-V41 WeakPolarHBondContact O-CG2 3.25Å; L37-V41 PolarHBondContact O-N 3.26Å; L37-F62 HydrophobicContact CB-CE2 4.04Å; L37-F62 HydrophobicContact CB-CZ 3.98Å; L37-F62 HydrophobicContact CD1-CD1 4.36Å; L37-F62 HydrophobicContact CD1-CE1 3.63Å; L37-F62 HydrophobicContact CD1-CE2 4.05Å; L37-F62 HydrophobicContact CD1-CZ 3.53Å; L37-F62 HydrophobicContact CD2-CE1 3.75Å; L37-F62 HydrophobicContact CD2-CE2 4.1Å; L37-F62 HydrophobicContact CD2-CZ 3.19Å; L37-F62 HydrophobicContact CG-CE1 4.19Å; L37-F62 HydrophobicContact CG-CE2 4.21Å; L37-F62 HydrophobicContact CG-CZ 3.66Å; L37-I70 HydrophobicContact CB-CD1 4.5Å
38	L	68.3	Low	70.3	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-69.1	-40.3	-179.8	-167.7	113.6	0	0	0	111	T25 Y29 V34 V35 V41 I42 I70 L74	T25-L38 HydrophobicContact CG2-CD2 4.12Å; Y29-L38 HydrophobicContact CD2-CD2 3.39Å; Y29-L38 HydrophobicContact CE2-CD2 3.65Å; Y29-L38 HydrophobicContact CG-CD2 3.93Å; V34-L38 WeakPolarHBondContact O-CB 3.37Å; V34-L38 PolarHBondContact O-N 2.84Å; V35-L38 PolarHBondContact O-N 3.24Å; L38-V41 PolarHBondContact O-N 3.38Å; L38-I42 HydrophobicContact CD2-CD1 3.78Å; L38-I42 HydrophobicContact CG-CD1 3.99Å; L38-I42 WeakPolarHBondContact O-CB 3.27Å; L38-I42 WeakPolarHBondContact O-CG1 3.42Å; L38-I42 PolarHBondContact O-N 3.26Å; L38-I70 HydrophobicContact CD1-CG2 3.62Å; L38-L74 HydrophobicContact CD1-CD1 3.92Å; L38-L74 HydrophobicContact CD1-CD2 3.5Å; L38-L74 VanDerWaalsContact CD1-CD2 3.5Å; L38-L74 HydrophobicContact CD1-CG 3.64Å; L38-L74 HydrophobicContact CD2-CD2 4.18Å; L38-L74 HydrophobicContact CG-CD1 4.47Å; L38-L74 HydrophobicContact CG-CD2 3.98Å; L38-L74 HydrophobicContact CG-CG 4.48Å
39	G	72.8	Confident	70.1	Confident	18 Å²	18	64.6 Å²	64.6	19%	0.186	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-47	171.4	0	0	0	0	0	111.2	V35 I42 D43	V35-G39 PolarHBondContact O-N 2.76Å; G39-I42 PolarHBondContact O-N 2.92Å; G39-D43 WeakPolarHBondContact O-CB 3.49Å; G39-D43 PolarHBondContact O-N 3.32Å
40	V	75.4	Confident	70.2	Confident	77 Å²	77	66.4 Å²	66.4	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176.5	173.9	0	0	0	0	111.9	A36 L37 I42 D43 L44 L60	A36-V40 WeakPolarHBondContact O-CB 3.48Å; A36-V40 WeakPolarHBondContact O-CG2 2.85Å; A36-V40 PolarHBondContact O-N 2.9Å; L37-V40 PolarHBondContact O-N 3.24Å; V40-I42 VanDerWaalsContact C-N 3.29Å; V40-I42 PolarHBondContact O-N 2.93Å; V40-D43 PolarHBondContact O-N 2.73Å; V40-L44 WeakPolarHBondContact O-CB 3.15Å; V40-L44 PolarHBondContact O-N 3.03Å; V40-L60 HydrophobicContact CG1-CD2 3.69Å
41	V	76.1	Confident	70.9	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-43.6	175.2	169	0	0	0	0	110.2	L37 L38 L44 L45 L60 L74	L37-V41 WeakPolarHBondContact O-CB 3.18Å; L37-V41 WeakPolarHBondContact O-CG2 3.25Å; L37-V41 PolarHBondContact O-N 3.26Å; L38-V41 PolarHBondContact O-N 3.38Å; V41-L44 PolarHBondContact O-N 3.45Å; V41-L45 HydrophobicContact CG1-CD1 3.74Å; V41-L45 HydrophobicContact CG1-CG 4.5Å; V41-L45 WeakPolarHBondContact O-CB 3.36Å; V41-L45 WeakPolarHBondContact O-CD1 3.31Å; V41-L45 VanDerWaalsContact O-CG 3.25Å; V41-L45 WeakPolarHBondContact O-CG 3.46Å; V41-L45 PolarHBondContact O-N 3.45Å; V41-L60 HydrophobicContact CG2-CD1 3.41Å; V41-L60 VanDerWaalsContact CG2-CD1 3.41Å; V41-L60 HydrophobicContact CG2-CD2 4.42Å; V41-L74 HydrophobicContact CG1-CD1 4.28Å
42	I	77	Confident	72	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-73.6	-40.6	-179	-70.2	170.5	0	0	0	111.2	I21 T25 L38 G39 V40 L44 L45 I46 L74 I102	I21-I42 HydrophobicContact CG2-CG2 3.36Å; T25-I42 HydrophobicContact CG2-CD1 3.18Å; L38-I42 HydrophobicContact CD2-CD1 3.78Å; L38-I42 HydrophobicContact CG-CD1 3.99Å; L38-I42 WeakPolarHBondContact O-CB 3.27Å; L38-I42 WeakPolarHBondContact O-CG1 3.42Å; L38-I42 PolarHBondContact O-N 3.26Å; G39-I42 PolarHBondContact O-N 2.92Å; V40-I42 VanDerWaalsContact C-N 3.29Å; V40-I42 PolarHBondContact O-N 2.93Å; I42-L44 VanDerWaalsContact C-N 3.25Å; I42-L44 PolarHBondContact O-N 3.07Å; I42-L45 CarbonylContact O-C 3.52Å; I42-L45 PolarHBondContact O-N 2.87Å; I42-I46 HydrophobicContact CG2-CD1 3.76Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CB 3.39Å; I42-I46 WeakPolarHBondContact O-CD1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.25Å; I42-I46 PolarHBondContact O-N 2.86Å; I42-L74 HydrophobicContact CD1-CD2 4.08Å; I42-I102 HydrophobicContact CG2-CD1 4.31Å
43	D	78.6	Confident	72.9	Confident	63 Å²	63	57.9 Å²	57.9	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-35.1	172.9	-77.8	-40.8	0	0	0	111.3	R22 G39 V40 I46 R47	R22-D43 IonicContact CZ-OD1 2.74Å; R22-D43 VanDerWaalsContact CZ-OD1 3.32Å; R22-D43 IonicContact NE-OD1 3.72Å; R22-D43 PolarHBondContact NE-OD1 3.21Å; R22-D43 IonicContact NH2-OD1 2.69Å; R22-D43 PolarHBondContact NH2-OD1 2.87Å; G39-D43 WeakPolarHBondContact O-CB 3.49Å; G39-D43 PolarHBondContact O-N 3.32Å; V40-D43 PolarHBondContact O-N 2.73Å; D43-I46 PolarHBondContact O-N 3.47Å; D43-R47 WeakPolarHBondContact O-CB 3.22Å; D43-R47 PolarHBondContact O-N 2.92Å; D43-R47 VanDerWaalsContact O-N 3.09Å
44	L	77.7	Confident	74.2	Confident	24 Å²	24	55 Å²	55	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-69.3	-42.4	174.4	-173.9	65.4	0	0	0	111.7	V40 V41 I42 I46 R47 N48 M51 L56 M59	V40-L44 WeakPolarHBondContact O-CB 3.15Å; V40-L44 PolarHBondContact O-N 3.03Å; V41-L44 PolarHBondContact O-N 3.45Å; I42-L44 VanDerWaalsContact C-N 3.25Å; I42-L44 PolarHBondContact O-N 3.07Å; L44-I46 VanDerWaalsContact C-N 3.32Å; L44-R47 PolarHBondContact O-N 3.01Å; L44-N48 WeakPolarHBondContact O-CB 3.29Å; L44-N48 PolarHBondContact O-N 2.9Å; L44-M51 HydrophobicContact CD1-SD 4.22Å; L44-M51 HydrophobicContact CD2-CE 4.31Å; L44-M51 HydrophobicContact CD2-SD 3.78Å; L44-M51 HydrophobicContact CG-SD 3.55Å; L44-M51 VanDerWaalsContact CG-SD 3.55Å; L44-L56 HydrophobicContact CD2-CD2 3.85Å; L44-M59 HydrophobicContact CD1-CE 4.33Å; L44-M59 HydrophobicContact CD2-CB 3.95Å; L44-M59 HydrophobicContact CD2-CG 4.39Å
45	L	79.7	Confident	75.2	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-24.8	173.9	-75.2	162.7	0	0	0	113.4	V41 I42 N48 M51 V80 I102	V41-L45 HydrophobicContact CG1-CD1 3.74Å; V41-L45 HydrophobicContact CG1-CG 4.5Å; V41-L45 WeakPolarHBondContact O-CB 3.36Å; V41-L45 WeakPolarHBondContact O-CD1 3.31Å; V41-L45 VanDerWaalsContact O-CG 3.25Å; V41-L45 WeakPolarHBondContact O-CG 3.46Å; V41-L45 PolarHBondContact O-N 3.45Å; I42-L45 CarbonylContact O-C 3.52Å; I42-L45 PolarHBondContact O-N 2.87Å; L45-N48 CarbonylContact C-O 3.59Å; L45-N48 CarbonylContact O-C 3.6Å; L45-M51 HydrophobicContact CD2-CB 4.2Å; L45-M51 HydrophobicContact CD2-CG 4.45Å; L45-V80 HydrophobicContact CD1-CG2 4.3Å; L45-I102 HydrophobicContact CB-CD1 3.62Å; L45-I102 HydrophobicContact CB-CG1 4Å; L45-I102 HydrophobicContact CD1-CG1 4.46Å
46	I	77.9	Confident	76.2	Confident	29 Å²	29	53.6 Å²	53.6	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-72.9	-40	172.2	-75.1	161.1	0	0	0	109.7	L18 I21 I42 D43 L44 I102	L18-I46 HydrophobicContact CD1-CG2 4Å; L18-I46 HydrophobicContact CD2-CB 4.24Å; L18-I46 HydrophobicContact CD2-CD1 3.87Å; L18-I46 HydrophobicContact CD2-CG1 3.78Å; L18-I46 HydrophobicContact CD2-CG2 3.42Å; L18-I46 VanDerWaalsContact CD2-CG2 3.42Å; L18-I46 HydrophobicContact CG-CG2 4.31Å; I21-I46 HydrophobicContact CG2-CD1 4.27Å; I42-I46 HydrophobicContact CG2-CD1 3.76Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CB 3.39Å; I42-I46 WeakPolarHBondContact O-CD1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.25Å; I42-I46 PolarHBondContact O-N 2.86Å; D43-I46 PolarHBondContact O-N 3.47Å; L44-I46 VanDerWaalsContact C-N 3.32Å; I46-I102 HydrophobicContact CG1-CD1 3.97Å
47	R	78.2	Confident	77.1	Confident	210 Å²	210	56.3 Å²	56.3	79%	0.792	28%	0.278	S	S	*	.	H	α-helix	trans	-74.4	-39.2	-179.8	-173.9	173.5	-178.8	158.9	1.3	112.4	D43 L44	D43-R47 WeakPolarHBondContact O-CB 3.22Å; D43-R47 PolarHBondContact O-N 2.92Å; D43-R47 VanDerWaalsContact O-N 3.09Å; L44-R47 PolarHBondContact O-N 3.01Å
48	N	71.2	Confident	77.9	Confident	60 Å²	60	58.4 Å²	58.4	32%	0.321	30%	0.296	S	S	.	.	S	Bend	trans	-109.6	106.8	179.1	-61.3	-18.8	0	0	0	108.4	L44 L45 S50 M51	L44-N48 WeakPolarHBondContact O-CB 3.29Å; L44-N48 PolarHBondContact O-N 2.9Å; L45-N48 CarbonylContact C-O 3.59Å; L45-N48 CarbonylContact O-C 3.6Å; N48-S50 PolarHBondContact O-N 2.78Å; N48-M51 HydrophobicContact CB-CG 3.55Å; N48-M51 HydrophobicContact CB-SD 3.79Å; N48-M51 PolarHBondContact ND2-SD 3.41Å; N48-M51 VanDerWaalsContact ND2-SD 3.35Å
49	V	74	Confident	78.4	Confident	129 Å²	129	64.2 Å²	64.2	78%	0.782	33%	0.325	S	S	*	.	S	Bend	trans	-54.3	-29.3	-170.9	178.2	0	0	0	0	113.5
50	S	76.9	Confident	78.5	Confident	71 Å²	71	64.4 Å²	64.4	50%	0.497	32%	0.322	S	S	.	.	S	Bend	trans	-143.4	142.4	170.5	56.3	0	0	0	0	109.3	N48	N48-S50 PolarHBondContact O-N 2.78Å
51	M	80.7	Confident	78.7	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.1	177.6	-71.8	-150.2	67.2	0	0	112.5	L44 L45 N48 E55 L56 Y99 Y100	L44-M51 HydrophobicContact CD1-SD 4.22Å; L44-M51 HydrophobicContact CD2-CE 4.31Å; L44-M51 HydrophobicContact CD2-SD 3.78Å; L44-M51 HydrophobicContact CG-SD 3.55Å; L44-M51 VanDerWaalsContact CG-SD 3.55Å; L45-M51 HydrophobicContact CD2-CB 4.2Å; L45-M51 HydrophobicContact CD2-CG 4.45Å; N48-M51 HydrophobicContact CB-CG 3.55Å; N48-M51 HydrophobicContact CB-SD 3.79Å; N48-M51 PolarHBondContact ND2-SD 3.41Å; N48-M51 VanDerWaalsContact ND2-SD 3.35Å; M51-E55 HydrophobicContact CE-CB 3.45Å; M51-E55 VanDerWaalsContact CE-CB 3.45Å; M51-L56 HydrophobicContact CB-CD1 4.45Å; M51-L56 HydrophobicContact CB-CD2 4.08Å; M51-L56 HydrophobicContact CB-CG 4.01Å; M51-L56 HydrophobicContact CE-CD2 4.2Å; M51-L56 HydrophobicContact CE-CG 4.47Å; M51-L56 HydrophobicContact CG-CD2 4.45Å; M51-L56 HydrophobicContact SD-CD2 3.68Å; M51-L56 HydrophobicContact SD-CG 4.41Å; M51-Y99 WeakPolarHBondContact O-CA 3.21Å; M51-Y100 PolarHBondContact N-O 3.5Å; M51-Y100 PolarHBondContact O-N 3.42Å
52	R	82.3	Confident	78.5	Confident	91 Å²	91	71.8 Å²	71.8	34%	0.343	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	146.2	171.6	-66.6	-175.4	-74.7	-171.2	-3	110.8	E54 E55 L56 Y99	R52-E54 PolarHBondContact O-N 3.15Å; R52-E55 HydrophobicContact CB-CB 4.38Å; R52-E55 HydrophobicContact CB-CG 4.1Å; R52-E55 IonicContact CZ-OE1 2.7Å; R52-E55 PolarHBondContact N-OE2 2.86Å; R52-E55 IonicContact NE-OE1 3.53Å; R52-E55 PolarHBondContact NE-OE1 3.25Å; R52-E55 IonicContact NH2-OE1 2.84Å; R52-E55 PolarHBondContact NH2-OE1 3.44Å; R52-E55 PolarHBondContact O-N 3.18Å; R52-E55 VanDerWaalsContact O-N 3.1Å; R52-L56 PolarHBondContact O-N 3.28Å; R52-Y99 HydrophobicContact CG-CD1 3.77Å; R52-Y99 HydrophobicContact CG-CE1 3.23Å
53	E	81.4	Confident	78.9	Confident	34 Å²	34	76.3 Å²	76.3	16%	0.159	37%	0.369	C	S	.	.	H	α-helix	trans	-53.3	-38	174.6	-168.4	179.6	155.9	0	0	111.9	R57 R68 L71 N98 Y100	E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 3.02Å; E53-R68 IonicContact OE1-CZ 3.49Å; E53-R68 IonicContact OE1-NE 3.73Å; E53-R68 PolarHBondContact OE1-NE 2.91Å; E53-R68 IonicContact OE1-NH2 2.78Å; E53-R68 PolarHBondContact OE1-NH2 2.68Å; E53-L71 HydrophobicContact CG-CD1 4.35Å; E53-N98 PolarHBondContact N-O 2.79Å; E53-N98 PolarHBondContact OE2-ND2 2.93Å; E53-Y100 HydrophobicContact CB-CE2 3.97Å; E53-Y100 HydrophobicContact CG-CE2 4.19Å
54	E	82.4	Confident	79.2	Confident	129 Å²	129	74.9 Å²	74.9	60%	0.603	36%	0.363	S	S	*	.	H	α-helix	trans	-69.8	-36	179.7	-59.9	-164.4	152.1	0	0	113.2	R52 R57 S58	R52-E54 PolarHBondContact O-N 3.15Å; E54-R57 WeakPolarHBondContact O-CB 3.21Å; E54-R57 PolarHBondContact O-N 2.71Å; E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 3Å
55	E	84	Confident	79.5	Confident	63 Å²	63	81.1 Å²	81.1	29%	0.294	39%	0.389	S	S	.	.	H	α-helix	trans	-71.8	-41.4	177	-69.5	172.1	179.2	0	0	111.2	M51 R52 R57 S58 M59	M51-E55 HydrophobicContact CE-CB 3.45Å; M51-E55 VanDerWaalsContact CE-CB 3.45Å; R52-E55 HydrophobicContact CB-CB 4.38Å; R52-E55 HydrophobicContact CB-CG 4.1Å; R52-E55 IonicContact CZ-OE1 2.7Å; R52-E55 PolarHBondContact N-OE2 2.86Å; R52-E55 IonicContact NE-OE1 3.53Å; R52-E55 PolarHBondContact NE-OE1 3.25Å; R52-E55 IonicContact NH2-OE1 2.84Å; R52-E55 PolarHBondContact NH2-OE1 3.44Å; R52-E55 PolarHBondContact O-N 3.18Å; R52-E55 VanDerWaalsContact O-N 3.1Å; E55-R57 PolarHBondContact O-N 2.81Å; E55-S58 PolarHBondContact O-N 3.45Å; E55-M59 WeakPolarHBondContact O-CB 3.24Å; E55-M59 VanDerWaalsContact O-CG 3.27Å; E55-M59 WeakPolarHBondContact O-CG 3.13Å; E55-M59 PolarHBondContact O-N 3.43Å
56	L	79.3	Confident	79.7	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-57.1	-42.7	171.5	-70.7	174	0	0	0	110.4	L44 M51 R52 L60 L67 L71 Y100	L44-L56 HydrophobicContact CD2-CD2 3.85Å; M51-L56 HydrophobicContact CB-CD1 4.45Å; M51-L56 HydrophobicContact CB-CD2 4.08Å; M51-L56 HydrophobicContact CB-CG 4.01Å; M51-L56 HydrophobicContact CE-CD2 4.2Å; M51-L56 HydrophobicContact CE-CG 4.47Å; M51-L56 HydrophobicContact CG-CD2 4.45Å; M51-L56 HydrophobicContact SD-CD2 3.68Å; M51-L56 HydrophobicContact SD-CG 4.41Å; R52-L56 PolarHBondContact O-N 3.28Å; L56-L60 HydrophobicContact CB-CD1 4.49Å; L56-L60 WeakPolarHBondContact O-CB 3.1Å; L56-L60 VanDerWaalsContact O-CD1 3.3Å; L56-L60 WeakPolarHBondContact O-CD1 3.42Å; L56-L60 WeakPolarHBondContact O-CG 3.39Å; L56-L60 PolarHBondContact O-N 3.4Å; L56-L60 VanDerWaalsContact O-N 3.08Å; L56-L67 HydrophobicContact CB-CD2 4.3Å; L56-L71 HydrophobicContact CD1-CD2 4.37Å; L56-Y100 HydrophobicContact CD1-CD2 3.92Å
57	R	80.4	Confident	79.9	Confident	124 Å²	124	84.6 Å²	84.6	47%	0.468	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-45.1	176.3	-176.5	-179.3	178.4	-178.6	-4.8	112.4	E53 E54 E55 K61 L67	E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 3.02Å; E54-R57 WeakPolarHBondContact O-CB 3.21Å; E54-R57 PolarHBondContact O-N 2.71Å; E55-R57 PolarHBondContact O-N 2.81Å; R57-K61 WeakPolarHBondContact O-CA 3.44Å; R57-K61 PolarHBondContact O-N 2.95Å; R57-L67 HydrophobicContact CB-CD2 3.89Å
58	S	82.2	Confident	80.2	Confident	91 Å²	91	80.7 Å²	80.7	64%	0.636	39%	0.39	S	S	*	.	H	α-helix	trans	-65.4	-47.6	-178.8	-173.8	0	0	0	0	111.7	E54 E55 L60 K61	E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 3Å; E55-S58 PolarHBondContact O-N 3.45Å; S58-L60 VanDerWaalsContact C-N 3.35Å; S58-L60 PolarHBondContact O-N 3.2Å; S58-K61 PolarHBondContact O-N 3.39Å
59	M	78.2	Confident	80.8	Confident	124 Å²	124	79.6 Å²	79.6	61%	0.611	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-39.1	-178.8	-71.2	-62.6	-69.4	0	0	112.3	L44 E55	L44-M59 HydrophobicContact CD1-CE 4.33Å; L44-M59 HydrophobicContact CD2-CB 3.95Å; L44-M59 HydrophobicContact CD2-CG 4.39Å; E55-M59 WeakPolarHBondContact O-CB 3.24Å; E55-M59 VanDerWaalsContact O-CG 3.27Å; E55-M59 WeakPolarHBondContact O-CG 3.13Å; E55-M59 PolarHBondContact O-N 3.43Å
60	L	74.7	Confident	81.2	Confident	22 Å²	22	74.2 Å²	74.2	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-92.8	-9.4	-174.7	-60.8	166.6	0	0	0	113.9	V40 V41 L56 S58 F62 L67	V40-L60 HydrophobicContact CG1-CD2 3.69Å; V41-L60 HydrophobicContact CG2-CD1 3.41Å; V41-L60 VanDerWaalsContact CG2-CD1 3.41Å; V41-L60 HydrophobicContact CG2-CD2 4.42Å; L56-L60 HydrophobicContact CB-CD1 4.49Å; L56-L60 WeakPolarHBondContact O-CB 3.1Å; L56-L60 VanDerWaalsContact O-CD1 3.3Å; L56-L60 WeakPolarHBondContact O-CD1 3.42Å; L56-L60 WeakPolarHBondContact O-CG 3.39Å; L56-L60 PolarHBondContact O-N 3.4Å; L56-L60 VanDerWaalsContact O-N 3.08Å; S58-L60 VanDerWaalsContact C-N 3.35Å; S58-L60 PolarHBondContact O-N 3.2Å; L60-F62 HydrophobicContact CB-CD2 3.28Å; L60-F62 HydrophobicContact CB-CE2 3.34Å; L60-F62 HydrophobicContact CB-CG 4.07Å; L60-F62 HydrophobicContact CB-CZ 4.09Å; L60-F62 HydrophobicContact CD1-CD2 3.91Å; L60-F62 HydrophobicContact CD1-CE2 3.88Å; L60-F62 HydrophobicContact CD2-CE2 3.97Å; L60-F62 HydrophobicContact CG-CD2 4.12Å; L60-F62 HydrophobicContact CG-CE2 3.92Å; L60-F62 PolarHBondContact O-N 3.44Å; L60-F62 VanDerWaalsContact O-N 3.15Å; L60-L67 HydrophobicContact CD1-CD1 4.23Å
61	K	79.5	Confident	81.5	Confident	190 Å²	190	71.2 Å²	71.2	83%	0.826	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	33.9	-177.4	-59.6	-177.4	179.1	178.8	0	113.7	R57 S58	R57-K61 WeakPolarHBondContact O-CA 3.44Å; R57-K61 PolarHBondContact O-N 2.95Å; S58-K61 PolarHBondContact O-N 3.39Å
62	F	72.3	Confident	81.8	Confident	43 Å²	43	75.4 Å²	75.4	19%	0.189	36%	0.36	C	S	.	.			trans	-88.3	157.1	-177.8	-70.9	-43.2	0	0	0	114.3	L37 L60	L37-F62 HydrophobicContact CB-CE2 4.04Å; L37-F62 HydrophobicContact CB-CZ 3.98Å; L37-F62 HydrophobicContact CD1-CD1 4.36Å; L37-F62 HydrophobicContact CD1-CE1 3.63Å; L37-F62 HydrophobicContact CD1-CE2 4.05Å; L37-F62 HydrophobicContact CD1-CZ 3.53Å; L37-F62 HydrophobicContact CD2-CE1 3.75Å; L37-F62 HydrophobicContact CD2-CE2 4.1Å; L37-F62 HydrophobicContact CD2-CZ 3.19Å; L37-F62 HydrophobicContact CG-CE1 4.19Å; L37-F62 HydrophobicContact CG-CE2 4.21Å; L37-F62 HydrophobicContact CG-CZ 3.66Å; L60-F62 HydrophobicContact CB-CD2 3.28Å; L60-F62 HydrophobicContact CB-CE2 3.34Å; L60-F62 HydrophobicContact CB-CG 4.07Å; L60-F62 HydrophobicContact CB-CZ 4.09Å; L60-F62 HydrophobicContact CD1-CD2 3.91Å; L60-F62 HydrophobicContact CD1-CE2 3.88Å; L60-F62 HydrophobicContact CD2-CE2 3.97Å; L60-F62 HydrophobicContact CG-CD2 4.12Å; L60-F62 HydrophobicContact CG-CE2 3.92Å; L60-F62 PolarHBondContact O-N 3.44Å; L60-F62 VanDerWaalsContact O-N 3.15Å
63	E	85.1	Confident	82	Confident	97 Å²	97	74 Å²	74	45%	0.453	36%	0.361	S	S	.	.			trans	-63.9	134.3	165.2	-167.4	-177.2	170.6	0	0	109.5	K65 Q66 L67	E63-K65 HydrophobicContact CG-CB 4.5Å; E63-K65 PolarHBondContact O-N 2.89Å; E63-K65 VanDerWaalsContact O-N 3.07Å; E63-Q66 HydrophobicContact CB-CG 4.38Å; E63-Q66 PolarHBondContact O-N 2.95Å; E63-Q66 VanDerWaalsContact O-N 3.14Å; E63-L67 PolarHBondContact O-N 3.34Å
64	P	84.4	Confident	82.1	Confident	33 Å²	33	72.3 Å²	72.3	21%	0.214	35%	0.353	C	S	.	.	H	α-helix	trans	-58.4	-27.4	-177.1	22.1	-34.8	0	0	0	113.4	R68	P64-R68 WeakPolarHBondContact O-CB 3.35Å; P64-R68 VanDerWaalsContact O-CG 3.26Å; P64-R68 WeakPolarHBondContact O-CG 3.28Å; P64-R68 PolarHBondContact O-N 3.35Å
65	K	84.5	Confident	82.3	Confident	154 Å²	154	71.1 Å²	71.1	67%	0.67	35%	0.346	S	S	*	.	H	α-helix	trans	-70.5	-44.5	178.7	-65.2	-178.6	-175.9	169.2	0	112.3	E63 R68 G69	E63-K65 HydrophobicContact CG-CB 4.5Å; E63-K65 PolarHBondContact O-N 2.89Å; E63-K65 VanDerWaalsContact O-N 3.07Å; K65-R68 PolarHBondContact O-N 2.93Å; K65-G69 PolarHBondContact O-N 2.72Å; K65-G69 VanDerWaalsContact O-N 3.08Å
66	Q	83.2	Confident	82.4	Confident	106 Å²	106	73.3 Å²	73.3	50%	0.495	36%	0.36	S	S	.	.	H	α-helix	trans	-66.9	-44.5	180	-67.2	-177.4	-16.8	0	0	110.8	E63 R68 G69 I70	E63-Q66 HydrophobicContact CB-CG 4.38Å; E63-Q66 PolarHBondContact O-N 2.95Å; E63-Q66 VanDerWaalsContact O-N 3.14Å; Q66-R68 VanDerWaalsContact C-N 3.34Å; Q66-R68 PolarHBondContact O-N 3.48Å; Q66-G69 PolarHBondContact O-N 2.78Å; Q66-I70 WeakPolarHBondContact O-CG1 3.44Å; Q66-I70 PolarHBondContact O-N 3.33Å
67	L	82.6	Confident	82.7	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-58.8	-45.1	177	-177.4	62.7	0	0	0	111.5	L56 R57 L60 E63 G69 I70 L71	L56-L67 HydrophobicContact CB-CD2 4.3Å; R57-L67 HydrophobicContact CB-CD2 3.89Å; L60-L67 HydrophobicContact CD1-CD1 4.23Å; E63-L67 PolarHBondContact O-N 3.34Å; L67-G69 PolarHBondContact O-N 3.28Å; L67-I70 PolarHBondContact O-N 2.89Å; L67-L71 HydrophobicContact CD1-CD1 4.24Å; L67-L71 HydrophobicContact CD1-CG 4.33Å; L67-L71 HydrophobicContact CG-CD1 3.86Å; L67-L71 HydrophobicContact CG-CG 4.38Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 3.15Å
68	R	84.1	Confident	82.8	Confident	128 Å²	128	74.5 Å²	74.5	48%	0.483	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-41.1	176.8	-75.3	175.7	-175.3	149.6	0.4	113	E53 P64 K65 Q66 I70 L71 I72	E53-R68 IonicContact OE1-CZ 3.49Å; E53-R68 IonicContact OE1-NE 3.73Å; E53-R68 PolarHBondContact OE1-NE 2.91Å; E53-R68 IonicContact OE1-NH2 2.78Å; E53-R68 PolarHBondContact OE1-NH2 2.68Å; P64-R68 WeakPolarHBondContact O-CB 3.35Å; P64-R68 VanDerWaalsContact O-CG 3.26Å; P64-R68 WeakPolarHBondContact O-CG 3.28Å; P64-R68 PolarHBondContact O-N 3.35Å; K65-R68 PolarHBondContact O-N 2.93Å; Q66-R68 VanDerWaalsContact C-N 3.34Å; Q66-R68 PolarHBondContact O-N 3.48Å; R68-I70 VanDerWaalsContact C-N 3.29Å; R68-I70 PolarHBondContact O-N 3.5Å; R68-L71 PolarHBondContact O-N 3.06Å; R68-I72 WeakPolarHBondContact O-CB 3.18Å; R68-I72 WeakPolarHBondContact O-CD1 3.39Å; R68-I72 WeakPolarHBondContact O-CG1 3.3Å; R68-I72 PolarHBondContact O-N 3.2Å
69	G	85.2	Confident	82.8	Confident	38 Å²	38	70.6 Å²	70.6	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-40.4	175.5	0	0	0	0	0	112.8	K65 Q66 L67 T73	K65-G69 PolarHBondContact O-N 2.72Å; K65-G69 VanDerWaalsContact O-N 3.08Å; Q66-G69 PolarHBondContact O-N 2.78Å; L67-G69 PolarHBondContact O-N 3.28Å; G69-T73 PolarHBondContact O-N 3.14Å; G69-T73 VanDerWaalsContact O-N 3.15Å; G69-T73 PolarHBondContact O-OG1 3.08Å
70	I	81.8	Confident	83.1	Confident	16 Å²	16	65 Å²	65	8%	0.082	31%	0.314	C	S	.	.	H	α-helix	trans	-68.7	-46.5	176.8	-64.3	170.4	0	0	0	110.8	V34 L37 L38 Q66 L67 R68 I72 T73 L74	V34-I70 HydrophobicContact CG1-CD1 4.34Å; V34-I70 HydrophobicContact CG1-CG1 4.15Å; L37-I70 HydrophobicContact CB-CD1 4.5Å; L38-I70 HydrophobicContact CD1-CG2 3.62Å; Q66-I70 WeakPolarHBondContact O-CG1 3.44Å; Q66-I70 PolarHBondContact O-N 3.33Å; L67-I70 PolarHBondContact O-N 2.89Å; R68-I70 VanDerWaalsContact C-N 3.29Å; R68-I70 PolarHBondContact O-N 3.5Å; I70-I72 VanDerWaalsContact C-N 3.33Å; I70-I72 PolarHBondContact O-N 2.97Å; I70-T73 WeakPolarHBondContact O-CB 3.45Å; I70-T73 PolarHBondContact O-N 3.42Å; I70-L74 HydrophobicContact CG2-CD1 4.19Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 3.26Å
71	L	83.5	Confident	83.7	Confident	7 Å²	7	68 Å²	68	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-38.9	178.3	-71.6	169.7	0	0	0	112.3	E53 L56 L67 R68 L74 K75 Y100	E53-L71 HydrophobicContact CG-CD1 4.35Å; L56-L71 HydrophobicContact CD1-CD2 4.37Å; L67-L71 HydrophobicContact CD1-CD1 4.24Å; L67-L71 HydrophobicContact CD1-CG 4.33Å; L67-L71 HydrophobicContact CG-CD1 3.86Å; L67-L71 HydrophobicContact CG-CG 4.38Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 3.15Å; R68-L71 PolarHBondContact O-N 3.06Å; L71-L74 PolarHBondContact O-N 2.97Å; L71-K75 WeakPolarHBondContact O-CB 3.07Å; L71-K75 PolarHBondContact O-N 3.07Å; L71-Y100 HydrophobicContact CD1-CD2 4.44Å; L71-Y100 HydrophobicContact CD1-CE2 3.7Å; L71-Y100 HydrophobicContact CD2-CD1 4.29Å; L71-Y100 HydrophobicContact CD2-CD2 4.19Å; L71-Y100 HydrophobicContact CD2-CE1 4.26Å; L71-Y100 HydrophobicContact CD2-CE2 4.14Å; L71-Y100 HydrophobicContact CD2-CG 4.25Å; L71-Y100 HydrophobicContact CG-CE2 4.5Å
72	I	86.8	Confident	84	Confident	93 Å²	93	61.5 Å²	61.5	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-43.8	174.9	-69.9	163.5	0	0	0	110.5	R68 I70 K75 N76	R68-I72 WeakPolarHBondContact O-CB 3.18Å; R68-I72 WeakPolarHBondContact O-CD1 3.39Å; R68-I72 WeakPolarHBondContact O-CG1 3.3Å; R68-I72 PolarHBondContact O-N 3.2Å; I70-I72 VanDerWaalsContact C-N 3.33Å; I70-I72 PolarHBondContact O-N 2.97Å; I72-K75 PolarHBondContact O-N 3.46Å; I72-N76 WeakPolarHBondContact O-CB 3.47Å; I72-N76 PolarHBondContact O-N 2.83Å; I72-N76 PolarHBondContact O-ND2 3.45Å; I72-N76 PolarHBondContact O-OD1 3.37Å
73	T	85.5	Confident	84.6	Confident	60 Å²	60	66.5 Å²	66.5	37%	0.368	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-46.6	175.5	-56.8	0	0	0	0	111.3	Y29 G69 I70 K75 N76 D77	Y29-T73 HydrophobicContact CE1-CG2 3.74Å; G69-T73 PolarHBondContact O-N 3.14Å; G69-T73 VanDerWaalsContact O-N 3.15Å; G69-T73 PolarHBondContact O-OG1 3.08Å; I70-T73 WeakPolarHBondContact O-CB 3.45Å; I70-T73 PolarHBondContact O-N 3.42Å; T73-K75 VanDerWaalsContact C-N 3.33Å; T73-K75 PolarHBondContact O-N 3.22Å; T73-N76 PolarHBondContact O-N 2.9Å; T73-D77 PolarHBondContact O-N 2.84Å
74	L	83.5	Confident	84.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-36.9	177.4	-74.2	175.1	0	0	0	113.4	L38 V41 I42 I70 L71 K78 I79 V80	L38-L74 HydrophobicContact CD1-CD1 3.92Å; L38-L74 HydrophobicContact CD1-CD2 3.5Å; L38-L74 VanDerWaalsContact CD1-CD2 3.5Å; L38-L74 HydrophobicContact CD1-CG 3.64Å; L38-L74 HydrophobicContact CD2-CD2 4.18Å; L38-L74 HydrophobicContact CG-CD1 4.47Å; L38-L74 HydrophobicContact CG-CD2 3.98Å; L38-L74 HydrophobicContact CG-CG 4.48Å; V41-L74 HydrophobicContact CG1-CD1 4.28Å; I42-L74 HydrophobicContact CD1-CD2 4.08Å; I70-L74 HydrophobicContact CG2-CD1 4.19Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 3.26Å; L71-L74 PolarHBondContact O-N 2.97Å; L74-K78 PolarHBondContact O-N 3.4Å; L74-I79 HydrophobicContact CD2-CD1 4.09Å; L74-I79 PolarHBondContact O-N 3.16Å; L74-I79 VanDerWaalsContact O-N 3.16Å; L74-V80 HydrophobicContact CB-CB 4.39Å; L74-V80 HydrophobicContact CB-CG2 4.09Å; L74-V80 HydrophobicContact CD1-CG2 4.32Å
75	K	87	Confident	84.4	Confident	104 Å²	104	69.6 Å²	69.6	45%	0.452	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-42.7	174.6	174.7	176.1	165.6	169.7	0	111.5	L71 I72 T73 D77 K78 E82	L71-K75 WeakPolarHBondContact O-CB 3.07Å; L71-K75 PolarHBondContact O-N 3.07Å; I72-K75 PolarHBondContact O-N 3.46Å; T73-K75 VanDerWaalsContact C-N 3.33Å; T73-K75 PolarHBondContact O-N 3.22Å; K75-D77 VanDerWaalsContact C-N 3.32Å; K75-D77 PolarHBondContact O-N 3.33Å; K75-K78 WeakPolarHBondContact O-CA 3.41Å; K75-K78 PolarHBondContact O-N 3.02Å; K75-E82 IonicContact NZ-OE2 3.2Å; K75-E82 PolarHBondContact NZ-OE2 3.49Å
76	N	86.8	Confident	84.3	Confident	108 Å²	108	66 Å²	66	58%	0.578	32%	0.319	S	S	*	.	H	α-helix	trans	-63.7	-38.7	177.6	-71.3	-18.8	0	0	0	111.8	I72 T73 K78	I72-N76 WeakPolarHBondContact O-CB 3.47Å; I72-N76 PolarHBondContact O-N 2.83Å; I72-N76 PolarHBondContact O-ND2 3.45Å; I72-N76 PolarHBondContact O-OD1 3.37Å; T73-N76 PolarHBondContact O-N 2.9Å; N76-K78 PolarHBondContact O-N 3.04Å
77	D	84.6	Confident	83.9	Confident	30 Å²	30	65.9 Å²	65.9	16%	0.16	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.1	174.8	-75.1	-47.8	0	0	0	113.6	Y29 T73 K75 I79 M110 K114	Y29-D77 WeakPolarHBondContact OH-CB 3.24Å; Y29-D77 VanDerWaalsContact OH-CG 3.27Å; Y29-D77 PolarHBondContact OH-OD2 2.98Å; T73-D77 PolarHBondContact O-N 2.84Å; K75-D77 VanDerWaalsContact C-N 3.32Å; K75-D77 PolarHBondContact O-N 3.33Å; D77-I79 HydrophobicContact CB-CD1 4.06Å; D77-I79 HydrophobicContact CB-CG1 4.02Å; D77-I79 PolarHBondContact O-N 3Å; D77-I79 VanDerWaalsContact O-N 3.16Å; D77-M110 WeakPolarHBondContact O-CG 3.47Å; D77-K114 WeakPolarHBondContact OD1-CE 3.42Å; D77-K114 IonicContact OD1-NZ 2.83Å; D77-K114 PolarHBondContact OD1-NZ 3.46Å
78	K	83.9	Confident	83.6	Confident	119 Å²	119	71.3 Å²	71.3	52%	0.517	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	30.4	-178.9	-40.9	-176.8	-177.7	179.7	0	113.9	L74 K75 N76 S106 M110	L74-K78 PolarHBondContact O-N 3.4Å; K75-K78 WeakPolarHBondContact O-CA 3.41Å; K75-K78 PolarHBondContact O-N 3.02Å; N76-K78 PolarHBondContact O-N 3.04Å; K78-S106 WeakPolarHBondContact O-CB 3.3Å; K78-M110 HydrophobicContact CB-CG 3.85Å; K78-M110 HydrophobicContact CB-SD 4.39Å; K78-M110 HydrophobicContact CD-CE 4.45Å; K78-M110 HydrophobicContact CD-CG 4.19Å; K78-M110 HydrophobicContact CD-SD 3.76Å; K78-M110 HydrophobicContact CG-CE 4.26Å; K78-M110 HydrophobicContact CG-CG 4.25Å; K78-M110 HydrophobicContact CG-SD 4.12Å
79	I	82.1	Confident	82.8	Confident	10 Å²	10	73 Å²	73	5%	0.051	36%	0.36	C	S	.	.	S	Bend	trans	-77.3	-43.4	173	-57.8	175.3	0	0	0	109	Y29 L74 D77 S103 M107	Y29-I79 HydrophobicContact CE2-CD1 4.06Å; Y29-I79 WeakPolarHBondContact OH-CD1 3.42Å; L74-I79 HydrophobicContact CD2-CD1 4.09Å; L74-I79 PolarHBondContact O-N 3.16Å; L74-I79 VanDerWaalsContact O-N 3.16Å; D77-I79 HydrophobicContact CB-CD1 4.06Å; D77-I79 HydrophobicContact CB-CG1 4.02Å; D77-I79 PolarHBondContact O-N 3Å; D77-I79 VanDerWaalsContact O-N 3.16Å; I79-S103 PolarHBondContact O-N 3.36Å; I79-M107 HydrophobicContact CG1-CG 4.38Å; I79-M107 HydrophobicContact CG2-CG 4.31Å; I79-M107 HydrophobicContact CG2-SD 4.19Å
80	V	85.1	Confident	82	Confident	6 Å²	6	76.5 Å²	76.5	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.6	-177.8	-177.9	0	0	0	0	109.6	L45 L74 Y100 I102	L45-V80 HydrophobicContact CD1-CG2 4.3Å; L74-V80 HydrophobicContact CB-CB 4.39Å; L74-V80 HydrophobicContact CB-CG2 4.09Å; L74-V80 HydrophobicContact CD1-CG2 4.32Å; V80-Y100 HydrophobicContact CG1-CD1 3.83Å; V80-Y100 HydrophobicContact CG1-CG 4.24Å; V80-I102 HydrophobicContact CG2-CG1 4.5Å
81	K	85.4	Confident	81.2	Confident	86 Å²	86	83.4 Å²	83.4	37%	0.374	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.7	169.7	-74	-177.8	-178.3	161.6	0	110	Y100 F101 S103 S106	K81-Y100 WeakPolarHBondContact O-CA 3.38Å; K81-F101 HydrophobicContact CB-CD1 4.17Å; K81-F101 HydrophobicContact CB-CD2 4.23Å; K81-F101 HydrophobicContact CB-CE1 3.56Å; K81-F101 HydrophobicContact CB-CE2 3.66Å; K81-F101 HydrophobicContact CB-CG 4.47Å; K81-F101 HydrophobicContact CB-CZ 3.29Å; K81-F101 HydrophobicContact CD-CE2 3.85Å; K81-F101 HydrophobicContact CD-CZ 3.78Å; K81-F101 HydrophobicContact CG-CE2 4.3Å; K81-F101 HydrophobicContact CG-CZ 4.16Å; K81-F101 PolarHBondContact N-O 3.46Å; K81-F101 WeakPolarHBondContact O-CD1 3.35Å; K81-F101 PolarHBondContact O-N 3.36Å; K81-S103 WeakPolarHBondContact CE-OG 3.34Å; K81-S103 PolarHBondContact NZ-OG 3.44Å; K81-S106 WeakPolarHBondContact CE-OG 3.49Å; K81-S106 PolarHBondContact NZ-OG 2.74Å; K81-S106 VanDerWaalsContact NZ-OG 3.15Å
82	E	86.8	Confident	80.4	Confident	53 Å²	53	87.1 Å²	87.1	25%	0.248	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124	177.9	-177.2	-175	171.9	0	0	107.8	K75 Q84 N98 Y99 Y100	K75-E82 IonicContact NZ-OE2 3.2Å; K75-E82 PolarHBondContact NZ-OE2 3.49Å; E82-Q84 HydrophobicContact CG-CG 4.33Å; E82-Q84 PolarHBondContact OE1-NE2 3.27Å; E82-N98 HydrophobicContact CG-CB 4.19Å; E82-N98 VanDerWaalsContact OE1-CG 3.32Å; E82-N98 PolarHBondContact OE1-OD1 3.03Å; E82-Y99 WeakPolarHBondContact CA-O 3.32Å; E82-Y100 HydrophobicContact CB-CD1 4.28Å; E82-Y100 HydrophobicContact CB-CE1 4Å; E82-Y100 HydrophobicContact CG-CE1 3.96Å
83	R	85.7	Confident	79.9	Confident	147 Å²	147	92.5 Å²	92.5	56%	0.555	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.8	166.9	-177.1	-177.1	-81.4	-168.2	-7.3	107.6	E85 Y99 F101	R83-E85 WeakPolarHBondContact CD-OE1 3.44Å; R83-E85 HydrophobicContact CG-CG 4.12Å; R83-E85 IonicContact NH1-OE1 2.9Å; R83-Y99 PolarHBondContact N-O 3Å; R83-Y99 PolarHBondContact O-N 2.9Å; R83-F101 HydrophobicContact CB-CD1 4.38Å; R83-F101 HydrophobicContact CB-CE1 3.99Å
84	Q	85	Confident	79.6	Confident	115 Å²	115	93.5 Å²	93.5	54%	0.537	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.6	176.4	-58.6	-167.4	-24.8	0	0	108.1	E82 H97 N98	E82-Q84 HydrophobicContact CG-CG 4.33Å; E82-Q84 PolarHBondContact OE1-NE2 3.27Å; Q84-H97 WeakPolarHBondContact CA-O 3.23Å; Q84-N98 WeakPolarHBondContact CG-OD1 3.15Å; Q84-N98 PolarHBondContact NE2-OD1 2.78Å
85	E	80.3	Confident	79.4	Confident	80 Å²	80	96.9 Å²	96.9	37%	0.374	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.2	173.4	-67.7	177.7	-177.3	0	0	107.8	R83 H97 Y99	R83-E85 WeakPolarHBondContact CD-OE1 3.44Å; R83-E85 HydrophobicContact CG-CG 4.12Å; R83-E85 IonicContact NH1-OE1 2.9Å; E85-H97 PolarHBondContact N-O 3.38Å; E85-H97 PolarHBondContact O-N 3.33Å; E85-Y99 HydrophobicContact CB-CD2 4.02Å; E85-Y99 HydrophobicContact CB-CE2 3.84Å; E85-Y99 HydrophobicContact CG-CD2 4.1Å; E85-Y99 HydrophobicContact CG-CE2 4.26Å; E85-Y99 VanDerWaalsContact OE2-CE2 3.28Å; E85-Y99 WeakPolarHBondContact OE2-CE2 3.17Å
86	T	81.9	Confident	79.2	Confident	78 Å²	78	100.3 Å²	100.3	48%	0.479	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.5	179.3	-57.8	0	0	0	0	107.5	P94 R96	T86-P94 HydrophobicContact CG2-CB 3.48Å; T86-P94 VanDerWaalsContact CG2-CB 3.48Å; T86-R96 HydrophobicContact CG2-CG 4.49Å
87	E	74.9	Confident	79	Confident	104 Å²	104	96.1 Å²	96.1	49%	0.486	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.2	175.6	-167.1	-178	165.7	0	0	108.5	R89 L95 H97	E87-R89 PolarHBondContact O-N 3.42Å; E87-R89 VanDerWaalsContact O-N 3.1Å; E87-L95 PolarHBondContact N-O 2.82Å; E87-L95 VanDerWaalsContact N-O 3.14Å; E87-L95 PolarHBondContact O-N 2.78Å; E87-H97 IonicContact OE2-CE1 3.69Å; E87-H97 IonicContact OE2-ND1 3.53Å
88	P	76.9	Confident	79.1	Confident	115 Å²	115	96.2 Å²	96.2	75%	0.747	48%	0.484	S	S	*	.			trans	-72.1	103.4	174.1	29.1	-31.5	0	0	0	109
89	R	67.3	Low	79.2	Confident	164 Å²	164	92.9 Å²	92.9	62%	0.619	47%	0.469	S	S	*	.			trans	-76.4	140	172.6	-169.8	165	-174.8	125	2.1	110.2	E87 E91	E87-R89 PolarHBondContact O-N 3.42Å; E87-R89 VanDerWaalsContact O-N 3.1Å; R89-E91 PolarHBondContact O-N 3.43Å; R89-E91 VanDerWaalsContact O-N 3.08Å
90	A	67.9	Low	79.4	Confident	111 Å²	111	93.2 Å²	93.2	92%	0.917	47%	0.47	S	S	*	.	S	Bend	trans	-56.6	-23.5	179	0	0	0	0	0	114.5
91	E	65.3	Low	79.5	Confident	162 Å²	162	96.1 Å²	96.1	76%	0.757	48%	0.482	S	S	*	.	S	Bend	trans	-100.1	82.4	170.8	-80.7	-170.3	141.2	0	0	111.3	R89 R93	R89-E91 PolarHBondContact O-N 3.43Å; R89-E91 VanDerWaalsContact O-N 3.08Å; E91-R93 PolarHBondContact O-N 3.3Å
92	G	66.6	Low	79.4	Confident	85 Å²	85	92.8 Å²	92.8	88%	0.876	47%	0.468	S	S	*	.	S	Bend	trans	55	-13.7	147	0	0	0	0	0	122
93	R	75.6	Confident	79.3	Confident	206 Å²	206	91 Å²	91	78%	0.777	46%	0.461	S	S	*	.	S	Bend	trans	-124	118.9	176.8	-177.3	176.6	-97.6	-119.6	1	109.8	E91 L95	E91-R93 PolarHBondContact O-N 3.3Å; R93-L95 PolarHBondContact O-N 2.88Å
94	P	79.4	Confident	79.2	Confident	81 Å²	81	86.7 Å²	86.7	53%	0.526	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62.4	125.6	175.1	24	-31.5	0	0	0	110	T86	T86-P94 HydrophobicContact CG2-CB 3.48Å; T86-P94 VanDerWaalsContact CG2-CB 3.48Å
95	L	78	Confident	79.3	Confident	70 Å²	70	84.3 Å²	84.3	37%	0.366	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.4	176.2	-170.2	58.6	0	0	0	108.5	E87 R93 H97	E87-L95 PolarHBondContact N-O 2.82Å; E87-L95 VanDerWaalsContact N-O 3.14Å; E87-L95 PolarHBondContact O-N 2.78Å; R93-L95 PolarHBondContact O-N 2.88Å; L95-H97 VanDerWaalsContact CD2-NE2 3.29Å; L95-H97 WeakPolarHBondContact CD2-NE2 3.35Å
96	R	82.7	Confident	79.6	Confident	176 Å²	176	81.8 Å²	81.8	66%	0.664	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.9	177.5	-61.9	-177.1	-179.6	-175.6	-0.8	108.4	T86	T86-R96 HydrophobicContact CG2-CG 4.49Å
97	H	83.6	Confident	79.7	Confident	21 Å²	21	78.1 Å²	78.1	10%	0.097	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.7	174.6	-64.4	108.1	0	0	0	110	Q84 E85 E87 L95 Y99	Q84-H97 WeakPolarHBondContact CA-O 3.23Å; E85-H97 PolarHBondContact N-O 3.38Å; E85-H97 PolarHBondContact O-N 3.33Å; E87-H97 IonicContact OE2-CE1 3.69Å; E87-H97 IonicContact OE2-ND1 3.53Å; L95-H97 VanDerWaalsContact CD2-NE2 3.29Å; L95-H97 WeakPolarHBondContact CD2-NE2 3.35Å; H97-Y99 HydrophobicContact CB-CE2 4Å
98	N	87.4	Confident	80.3	Confident	31 Å²	31	76 Å²	76	17%	0.166	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	114.3	174.6	-58.6	-33.1	0	0	0	108.5	E53 E82 Q84 Y100	E53-N98 PolarHBondContact N-O 2.79Å; E53-N98 PolarHBondContact OE2-ND2 2.93Å; E82-N98 HydrophobicContact CG-CB 4.19Å; E82-N98 VanDerWaalsContact OE1-CG 3.32Å; E82-N98 PolarHBondContact OE1-OD1 3.03Å; Q84-N98 WeakPolarHBondContact CG-OD1 3.15Å; Q84-N98 PolarHBondContact NE2-OD1 2.78Å; N98-Y100 HydrophobicContact CB-CE2 4.18Å
99	Y	86.4	Confident	80.8	Confident	49 Å²	49	75.5 Å²	75.5	19%	0.192	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.2	170.6	-69.4	-87.3	0	0	0	109.5	M51 R52 E82 R83 E85 H97	M51-Y99 WeakPolarHBondContact O-CA 3.21Å; R52-Y99 HydrophobicContact CG-CD1 3.77Å; R52-Y99 HydrophobicContact CG-CE1 3.23Å; E82-Y99 WeakPolarHBondContact CA-O 3.32Å; R83-Y99 PolarHBondContact N-O 3Å; R83-Y99 PolarHBondContact O-N 2.9Å; E85-Y99 HydrophobicContact CB-CD2 4.02Å; E85-Y99 HydrophobicContact CB-CE2 3.84Å; E85-Y99 HydrophobicContact CG-CD2 4.1Å; E85-Y99 HydrophobicContact CG-CE2 4.26Å; E85-Y99 VanDerWaalsContact OE2-CE2 3.28Å; E85-Y99 WeakPolarHBondContact OE2-CE2 3.17Å; H97-Y99 HydrophobicContact CB-CE2 4Å
100	Y	85.9	Confident	81.8	Confident	17 Å²	17	69.3 Å²	69.3	7%	0.067	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.1	176.9	-65.9	-73.6	0	0	0	110.2	M51 E53 L56 L71 V80 K81 E82 N98	M51-Y100 PolarHBondContact N-O 3.5Å; M51-Y100 PolarHBondContact O-N 3.42Å; E53-Y100 HydrophobicContact CB-CE2 3.97Å; E53-Y100 HydrophobicContact CG-CE2 4.19Å; L56-Y100 HydrophobicContact CD1-CD2 3.92Å; L71-Y100 HydrophobicContact CD1-CD2 4.44Å; L71-Y100 HydrophobicContact CD1-CE2 3.7Å; L71-Y100 HydrophobicContact CD2-CD1 4.29Å; L71-Y100 HydrophobicContact CD2-CD2 4.19Å; L71-Y100 HydrophobicContact CD2-CE1 4.26Å; L71-Y100 HydrophobicContact CD2-CE2 4.14Å; L71-Y100 HydrophobicContact CD2-CG 4.25Å; L71-Y100 HydrophobicContact CG-CE2 4.5Å; V80-Y100 HydrophobicContact CG1-CD1 3.83Å; V80-Y100 HydrophobicContact CG1-CG 4.24Å; K81-Y100 WeakPolarHBondContact O-CA 3.38Å; E82-Y100 HydrophobicContact CB-CD1 4.28Å; E82-Y100 HydrophobicContact CB-CE1 4Å; E82-Y100 HydrophobicContact CG-CE1 3.96Å; N98-Y100 HydrophobicContact CB-CE2 4.18Å
101	F	86.1	Confident	82.7	Confident	67 Å²	67	64.8 Å²	64.8	29%	0.294	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.1	175.9	65.8	-84.2	0	0	0	111	K81 R83 S103	K81-F101 HydrophobicContact CB-CD1 4.17Å; K81-F101 HydrophobicContact CB-CD2 4.23Å; K81-F101 HydrophobicContact CB-CE1 3.56Å; K81-F101 HydrophobicContact CB-CE2 3.66Å; K81-F101 HydrophobicContact CB-CG 4.47Å; K81-F101 HydrophobicContact CB-CZ 3.29Å; K81-F101 HydrophobicContact CD-CE2 3.85Å; K81-F101 HydrophobicContact CD-CZ 3.78Å; K81-F101 HydrophobicContact CG-CE2 4.3Å; K81-F101 HydrophobicContact CG-CZ 4.16Å; K81-F101 PolarHBondContact N-O 3.46Å; K81-F101 WeakPolarHBondContact O-CD1 3.35Å; K81-F101 PolarHBondContact O-N 3.36Å; R83-F101 HydrophobicContact CB-CD1 4.38Å; R83-F101 HydrophobicContact CB-CE1 3.99Å; F101-S103 PolarHBondContact O-N 3.39Å
102	I	84.2	Confident	83.9	Confident	16 Å²	16	63.9 Å²	63.9	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.7	177.7	-61.8	174.1	0	0	0	108.6	I42 L45 I46 V80 Y104	I42-I102 HydrophobicContact CG2-CD1 4.31Å; L45-I102 HydrophobicContact CB-CD1 3.62Å; L45-I102 HydrophobicContact CB-CG1 4Å; L45-I102 HydrophobicContact CD1-CG1 4.46Å; I46-I102 HydrophobicContact CG1-CD1 3.97Å; V80-I102 HydrophobicContact CG2-CG1 4.5Å; I102-Y104 HydrophobicContact CG2-CD1 3.98Å; I102-Y104 HydrophobicContact CG2-CE1 3.79Å; I102-Y104 PolarHBondContact O-N 3.08Å
103	S	84.5	Confident	85	Confident	16 Å²	16	66.3 Å²	66.3	11%	0.112	31%	0.314	C	S	.	.			trans	-95.2	92.1	174.8	-165.5	0	0	0	0	109.9	I79 K81 F101 A105 S106 M107	I79-S103 PolarHBondContact O-N 3.36Å; K81-S103 WeakPolarHBondContact CE-OG 3.34Å; K81-S103 PolarHBondContact NZ-OG 3.44Å; F101-S103 PolarHBondContact O-N 3.39Å; S103-A105 VanDerWaalsContact C-N 3.27Å; S103-A105 PolarHBondContact O-N 2.86Å; S103-S106 PolarHBondContact O-N 2.99Å; S103-S106 VanDerWaalsContact O-N 3.1Å; S103-M107 PolarHBondContact O-N 3.36Å
104	Y	84.1	Confident	85.6	Confident	56 Å²	56	59.4 Å²	59.4	22%	0.22	29%	0.289	C	S	.	.	H	α-helix	trans	-48.5	-43.2	179	-70.8	-53.9	0	0	0	114	V13 M17 I21 I102 M107 L108	V13-Y104 HydrophobicContact CB-CE2 4.37Å; V13-Y104 HydrophobicContact CG1-CE1 3.71Å; V13-Y104 HydrophobicContact CG1-CE2 3.91Å; V13-Y104 WeakPolarHBondContact CG1-OH 3.49Å; V13-Y104 HydrophobicContact CG2-CE2 3.55Å; V13-Y104 VanDerWaalsContact CG2-OH 3.26Å; V13-Y104 WeakPolarHBondContact CG2-OH 3.18Å; M17-Y104 HydrophobicContact CE-CD1 3.51Å; M17-Y104 HydrophobicContact CE-CG 3.71Å; M17-Y104 HydrophobicContact CG-CD1 3.66Å; M17-Y104 HydrophobicContact CG-CE1 4.03Å; M17-Y104 HydrophobicContact CG-CG 4.44Å; M17-Y104 HydrophobicContact SD-CD1 3.29Å; M17-Y104 WeakPolarHBondContact SD-CD1 3.36Å; M17-Y104 HydrophobicContact SD-CD2 4.39Å; M17-Y104 HydrophobicContact SD-CE1 4.09Å; M17-Y104 HydrophobicContact SD-CG 3.48Å; I21-Y104 HydrophobicContact CD1-CD1 3.87Å; I21-Y104 HydrophobicContact CD1-CE1 3.43Å; I21-Y104 VanDerWaalsContact CD1-CE1 3.43Å; I102-Y104 HydrophobicContact CG2-CD1 3.98Å; I102-Y104 HydrophobicContact CG2-CE1 3.79Å; I102-Y104 PolarHBondContact O-N 3.08Å; Y104-M107 HydrophobicContact CD1-CE 4.46Å; Y104-L108 WeakPolarHBondContact O-CG 3.39Å; Y104-L108 PolarHBondContact O-N 2.69Å
105	A	85.9	Confident	86	Confident	65 Å²	65	60.2 Å²	60.2	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-44.3	178.5	0	0	0	0	0	113.1	S103 N109	S103-A105 VanDerWaalsContact C-N 3.27Å; S103-A105 PolarHBondContact O-N 2.86Å; A105-N109 PolarHBondContact O-N 2.87Å; A105-N109 PolarHBondContact O-ND2 2.53Å
106	S	86.6	Confident	86.7	Confident	27 Å²	27	59.9 Å²	59.9	19%	0.189	29%	0.287	C	S	.	.	H	α-helix	trans	-66.7	-42	179.5	-66.4	0	0	0	0	111.4	K78 K81 S103 N109 M110	K78-S106 WeakPolarHBondContact O-CB 3.3Å; K81-S106 WeakPolarHBondContact CE-OG 3.49Å; K81-S106 PolarHBondContact NZ-OG 2.74Å; K81-S106 VanDerWaalsContact NZ-OG 3.15Å; S103-S106 PolarHBondContact O-N 2.99Å; S103-S106 VanDerWaalsContact O-N 3.1Å; S106-N109 PolarHBondContact O-N 3.04Å; S106-M110 WeakPolarHBondContact O-CG 3.35Å; S106-M110 PolarHBondContact O-N 3.36Å
107	M	84.2	Confident	87.1	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-45.5	177.6	-179.1	-165.7	71.8	0	0	112.2	M17 I21 I79 S103 Y104 N109 M110 V111	M17-M107 HydrophobicContact CE-CE 3.86Å; I21-M107 HydrophobicContact CD1-CE 3.84Å; I21-M107 HydrophobicContact CD1-SD 4.09Å; I21-M107 HydrophobicContact CG1-CE 3.38Å; I21-M107 HydrophobicContact CG1-SD 3.44Å; I21-M107 WeakPolarHBondContact CG1-SD 3.48Å; I79-M107 HydrophobicContact CG1-CG 4.38Å; I79-M107 HydrophobicContact CG2-CG 4.31Å; I79-M107 HydrophobicContact CG2-SD 4.19Å; S103-M107 PolarHBondContact O-N 3.36Å; Y104-M107 HydrophobicContact CD1-CE 4.46Å; M107-N109 VanDerWaalsContact C-N 3.32Å; M107-N109 PolarHBondContact O-N 2.85Å; M107-M110 PolarHBondContact O-N 2.91Å; M107-V111 HydrophobicContact CG-CG2 4.42Å; M107-V111 WeakPolarHBondContact O-CG2 3.3Å; M107-V111 PolarHBondContact O-N 3.34Å
108	L	87.1	Confident	87.3	Confident	60 Å²	60	59.6 Å²	59.6	31%	0.314	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-42.3	178.3	-75.2	176.7	0	0	0	112.4	M17 L20 Y104 M110 V111 K112	M17-L108 HydrophobicContact CE-CD1 3.5Å; M17-L108 HydrophobicContact CE-CD2 4.07Å; M17-L108 HydrophobicContact CE-CG 3.58Å; L20-L108 HydrophobicContact CD2-CD2 3.52Å; Y104-L108 WeakPolarHBondContact O-CG 3.39Å; Y104-L108 PolarHBondContact O-N 2.69Å; L108-M110 VanDerWaalsContact C-N 3.33Å; L108-M110 PolarHBondContact O-N 3.2Å; L108-V111 PolarHBondContact O-N 3.47Å; L108-K112 WeakPolarHBondContact O-CG 3.19Å; L108-K112 PolarHBondContact O-N 3.37Å
109	N	88.8	Confident	87.4	Confident	104 Å²	104	61.9 Å²	61.9	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-64.2	-40	177.4	-71.4	-16.8	0	0	0	111.6	A105 S106 M107 K112 Y113	A105-N109 PolarHBondContact O-N 2.87Å; A105-N109 PolarHBondContact O-ND2 2.53Å; S106-N109 PolarHBondContact O-N 3.04Å; M107-N109 VanDerWaalsContact C-N 3.32Å; M107-N109 PolarHBondContact O-N 2.85Å; N109-K112 PolarHBondContact O-N 3.34Å; N109-Y113 WeakPolarHBondContact O-CB 3.2Å; N109-Y113 PolarHBondContact O-N 3.41Å
110	M	86.7	Confident	87.6	Confident	33 Å²	33	64.8 Å²	64.8	16%	0.163	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-42.4	175.6	-72.4	-64.1	-71.3	0	0	112.6	D77 K78 S106 M107 L108 Y113 K114	D77-M110 WeakPolarHBondContact O-CG 3.47Å; K78-M110 HydrophobicContact CB-CG 3.85Å; K78-M110 HydrophobicContact CB-SD 4.39Å; K78-M110 HydrophobicContact CD-CE 4.45Å; K78-M110 HydrophobicContact CD-CG 4.19Å; K78-M110 HydrophobicContact CD-SD 3.76Å; K78-M110 HydrophobicContact CG-CE 4.26Å; K78-M110 HydrophobicContact CG-CG 4.25Å; K78-M110 HydrophobicContact CG-SD 4.12Å; S106-M110 WeakPolarHBondContact O-CG 3.35Å; S106-M110 PolarHBondContact O-N 3.36Å; M107-M110 PolarHBondContact O-N 2.91Å; L108-M110 VanDerWaalsContact C-N 3.33Å; L108-M110 PolarHBondContact O-N 3.2Å; M110-Y113 PolarHBondContact O-N 2.94Å; M110-K114 WeakPolarHBondContact O-CB 3.48Å; M110-K114 WeakPolarHBondContact O-CG 3.41Å; M110-K114 PolarHBondContact O-N 3.17Å
111	V	87.9	Confident	87.8	Confident	17 Å²	17	70.4 Å²	70.4	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-45.1	177	173.1	0	0	0	0	110.5	V24 M107 L108 Y113 K114 L115	V24-V111 HydrophobicContact CG1-CG2 3.8Å; V24-V111 HydrophobicContact CG2-CG1 4.19Å; V24-V111 HydrophobicContact CG2-CG2 3.85Å; M107-V111 HydrophobicContact CG-CG2 4.42Å; M107-V111 WeakPolarHBondContact O-CG2 3.3Å; M107-V111 PolarHBondContact O-N 3.34Å; L108-V111 PolarHBondContact O-N 3.47Å; V111-Y113 VanDerWaalsContact C-N 3.35Å; V111-Y113 PolarHBondContact O-N 2.89Å; V111-K114 PolarHBondContact O-N 2.87Å; V111-L115 HydrophobicContact CG1-CD1 4.1Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.24Å
112	K	89.3	Confident	87.8	Confident	142 Å²	142	70.1 Å²	70.1	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-57.6	-47.1	173.8	-73.5	176.3	-179.3	-179.3	0	111.7	L108 N109 L115 D116	L108-K112 WeakPolarHBondContact O-CG 3.19Å; L108-K112 PolarHBondContact O-N 3.37Å; N109-K112 PolarHBondContact O-N 3.34Å; K112-L115 PolarHBondContact O-N 2.84Å; K112-D116 WeakPolarHBondContact O-CB 3.49Å; K112-D116 PolarHBondContact O-N 3.15Å
113	Y	90.5	Very high	88	Confident	137 Å²	137	72.7 Å²	72.7	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-44.6	179.1	176	-104.9	0	0	0	112.8	N109 M110 V111 L115 D116 L117	N109-Y113 WeakPolarHBondContact O-CB 3.2Å; N109-Y113 PolarHBondContact O-N 3.41Å; M110-Y113 PolarHBondContact O-N 2.94Å; V111-Y113 VanDerWaalsContact C-N 3.35Å; V111-Y113 PolarHBondContact O-N 2.89Å; Y113-L115 PolarHBondContact O-N 3.4Å; Y113-D116 PolarHBondContact O-N 3.27Å; Y113-L117 WeakPolarHBondContact O-CB 3.44Å; Y113-L117 PolarHBondContact O-N 3.18Å
114	K	88.2	Confident	88	Confident	60 Å²	60	75.2 Å²	75.2	26%	0.261	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-40.1	178.1	-73.8	-178	-169.1	-101.5	0	111.6	F28 D77 M110 V111 L117 M118	F28-K114 HydrophobicContact CD1-CD 4.29Å; F28-K114 HydrophobicContact CE1-CB 4.14Å; F28-K114 HydrophobicContact CE1-CD 3.97Å; F28-K114 HydrophobicContact CZ-CB 4.11Å; F28-K114 HydrophobicContact CZ-CD 4.28Å; D77-K114 WeakPolarHBondContact OD1-CE 3.42Å; D77-K114 IonicContact OD1-NZ 2.83Å; D77-K114 PolarHBondContact OD1-NZ 3.46Å; M110-K114 WeakPolarHBondContact O-CB 3.48Å; M110-K114 WeakPolarHBondContact O-CG 3.41Å; M110-K114 PolarHBondContact O-N 3.17Å; V111-K114 PolarHBondContact O-N 2.87Å; K114-L117 PolarHBondContact O-N 2.99Å; K114-M118 WeakPolarHBondContact O-CB 3.45Å; K114-M118 VanDerWaalsContact O-CG 3.28Å; K114-M118 WeakPolarHBondContact O-CG 3.29Å; K114-M118 PolarHBondContact O-N 3.48Å
115	L	88.7	Confident	87.9	Confident	98 Å²	98	76.3 Å²	76.3	51%	0.513	38%	0.38	S	S	.	.	H	α-helix	trans	-65.7	-41.2	175.9	-71.5	175.4	0	0	0	112.3	V111 K112 Y113 L117 M118 R119	V111-L115 HydrophobicContact CG1-CD1 4.1Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.24Å; K112-L115 PolarHBondContact O-N 2.84Å; Y113-L115 PolarHBondContact O-N 3.4Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L115-M118 PolarHBondContact O-N 3.28Å; L115-R119 WeakPolarHBondContact O-CB 3.47Å; L115-R119 PolarHBondContact O-N 3.48Å
116	D	91.7	Very high	87.7	Confident	63 Å²	63	76.2 Å²	76.2	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-41.6	173.8	-178.7	62.8	0	0	0	111.7	K112 Y113 R119 K120	K112-D116 WeakPolarHBondContact O-CB 3.49Å; K112-D116 PolarHBondContact O-N 3.15Å; Y113-D116 PolarHBondContact O-N 3.27Å; D116-R119 PolarHBondContact O-N 3.19Å; D116-K120 WeakPolarHBondContact O-CB 3.41Å; D116-K120 WeakPolarHBondContact O-CG 3.29Å; D116-K120 PolarHBondContact O-N 3.01Å; D116-K120 IonicContact OD1-NZ 3.07Å; D116-K120 VanDerWaalsContact OD2-CE 3.29Å; D116-K120 WeakPolarHBondContact OD2-CE 3.26Å; D116-K120 IonicContact OD2-NZ 3.32Å; D116-K120 PolarHBondContact OD2-NZ 2.93Å
117	L	90.7	Very high	87.5	Confident	90 Å²	90	79.5 Å²	79.5	47%	0.471	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-40.1	176.2	-172.9	65.2	0	0	0	112.2	Y113 K114 L115 K120 K121	Y113-L117 WeakPolarHBondContact O-CB 3.44Å; Y113-L117 PolarHBondContact O-N 3.18Å; K114-L117 PolarHBondContact O-N 2.99Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L117-K120 PolarHBondContact O-N 3.32Å; L117-K121 VanDerWaalsContact O-CB 3.3Å; L117-K121 WeakPolarHBondContact O-CB 3.45Å; L117-K121 PolarHBondContact O-N 2.89Å
118	M	87.9	Confident	87.1	Confident	102 Å²	102	82.6 Å²	82.6	50%	0.502	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-44.6	175.6	-74.7	179.7	72.7	0	0	111.4	F28 K114 L115 K121 L122	F28-M118 HydrophobicContact CE1-SD 4.13Å; K114-M118 WeakPolarHBondContact O-CB 3.45Å; K114-M118 VanDerWaalsContact O-CG 3.28Å; K114-M118 WeakPolarHBondContact O-CG 3.29Å; K114-M118 PolarHBondContact O-N 3.48Å; L115-M118 PolarHBondContact O-N 3.28Å; M118-K121 PolarHBondContact O-N 2.94Å; M118-L122 WeakPolarHBondContact O-CD1 3.41Å; M118-L122 VanDerWaalsContact O-CG 3.29Å; M118-L122 WeakPolarHBondContact O-CG 3.42Å; M118-L122 PolarHBondContact O-N 3.25Å
119	R	89	Confident	86.4	Confident	79 Å²	79	81.7 Å²	81.7	30%	0.298	40%	0.404	S	S	.	.	H	α-helix	trans	-56.1	-55.1	173.1	170.9	-176.3	-73.4	-89.9	-5.5	111.2	L115 D116 K121 L122 E123 L182	L115-R119 WeakPolarHBondContact O-CB 3.47Å; L115-R119 PolarHBondContact O-N 3.48Å; D116-R119 PolarHBondContact O-N 3.19Å; R119-K121 VanDerWaalsContact C-N 3.28Å; R119-K121 PolarHBondContact O-N 3.33Å; R119-L122 PolarHBondContact O-N 2.88Å; R119-L122 VanDerWaalsContact O-N 3.07Å; R119-E123 HydrophobicContact CG-CG 4.5Å; R119-E123 WeakPolarHBondContact CG-OE1 3.36Å; R119-E123 WeakPolarHBondContact O-CG 3.21Å; R119-E123 PolarHBondContact O-N 3.27Å; R119-L182 PolarHBondContact NH1-O 3.4Å; R119-L182 PolarHBondContact NH2-O 3.14Å
120	K	91.7	Very high	85.7	Confident	110 Å²	110	81.1 Å²	81.1	48%	0.478	41%	0.408	S	S	.	.	H	α-helix	trans	-59.2	-36.6	178.7	-75.3	172.1	177.3	163.8	0	113.2	D116 L117 S124	D116-K120 WeakPolarHBondContact O-CB 3.41Å; D116-K120 WeakPolarHBondContact O-CG 3.29Å; D116-K120 PolarHBondContact O-N 3.01Å; D116-K120 IonicContact OD1-NZ 3.07Å; D116-K120 VanDerWaalsContact OD2-CE 3.29Å; D116-K120 WeakPolarHBondContact OD2-CE 3.26Å; D116-K120 IonicContact OD2-NZ 3.32Å; D116-K120 PolarHBondContact OD2-NZ 2.93Å; L117-K120 PolarHBondContact O-N 3.32Å; K120-S124 VanDerWaalsContact O-CB 3.22Å; K120-S124 WeakPolarHBondContact O-CB 3.36Å; K120-S124 PolarHBondContact O-N 2.87Å
121	K	89.5	Confident	84.7	Confident	134 Å²	134	84.6 Å²	84.6	58%	0.583	43%	0.428	S	S	*	.	H	α-helix	trans	-66.5	-41	176.6	-175	176	-179.3	-179.8	0	111.2	L117 M118 R119 Q125	L117-K121 VanDerWaalsContact O-CB 3.3Å; L117-K121 WeakPolarHBondContact O-CB 3.45Å; L117-K121 PolarHBondContact O-N 2.89Å; M118-K121 PolarHBondContact O-N 2.94Å; R119-K121 VanDerWaalsContact C-N 3.28Å; R119-K121 PolarHBondContact O-N 3.33Å; K121-Q125 WeakPolarHBondContact O-CB 3.49Å; K121-Q125 VanDerWaalsContact O-CG 3.23Å; K121-Q125 WeakPolarHBondContact O-CG 3.44Å; K121-Q125 PolarHBondContact O-N 3.41Å
122	L	87	Confident	83.8	Confident	62 Å²	62	92.2 Å²	92.2	33%	0.325	45%	0.454	S	S	.	.	H	α-helix	trans	-68	-44.2	177.1	-68.3	162.4	0	0	0	111.2	M118 R119 S124 Q125 E126 L178	M118-L122 WeakPolarHBondContact O-CD1 3.41Å; M118-L122 VanDerWaalsContact O-CG 3.29Å; M118-L122 WeakPolarHBondContact O-CG 3.42Å; M118-L122 PolarHBondContact O-N 3.25Å; R119-L122 PolarHBondContact O-N 2.88Å; R119-L122 VanDerWaalsContact O-N 3.07Å; L122-S124 VanDerWaalsContact C-N 3.35Å; L122-S124 PolarHBondContact O-N 3.29Å; L122-Q125 PolarHBondContact O-N 3.47Å; L122-E126 WeakPolarHBondContact O-CB 3.18Å; L122-E126 PolarHBondContact O-N 2.79Å; L122-L178 HydrophobicContact CB-CD1 4.4Å; L122-L178 HydrophobicContact CB-CD2 3.58Å; L122-L178 HydrophobicContact CD1-CD2 4.05Å; L122-L178 HydrophobicContact CD2-CD1 4.08Å; L122-L178 HydrophobicContact CD2-CD2 4.39Å; L122-L178 HydrophobicContact CG-CD2 4.2Å
123	E	87.1	Confident	83.1	Confident	69 Å²	69	87.7 Å²	87.7	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-59.1	-44.4	173.6	-69.4	169.4	-175	0	0	111.7	R119 E126 N127 L183	R119-E123 HydrophobicContact CG-CG 4.5Å; R119-E123 WeakPolarHBondContact CG-OE1 3.36Å; R119-E123 WeakPolarHBondContact O-CG 3.21Å; R119-E123 PolarHBondContact O-N 3.27Å; E123-E126 PolarHBondContact O-N 3.09Å; E123-N127 VanDerWaalsContact O-CB 3.31Å; E123-N127 WeakPolarHBondContact O-CB 3.47Å; E123-N127 PolarHBondContact O-N 3.39Å; E123-L183 HydrophobicContact CG-CD1 3.79Å
124	S	84.6	Confident	82.6	Confident	69 Å²	69	81.4 Å²	81.4	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-36.7	176.5	175.5	0	0	0	0	112.5	K120 L122 S128	K120-S124 VanDerWaalsContact O-CB 3.22Å; K120-S124 WeakPolarHBondContact O-CB 3.36Å; K120-S124 PolarHBondContact O-N 2.87Å; L122-S124 VanDerWaalsContact C-N 3.35Å; L122-S124 PolarHBondContact O-N 3.29Å; S124-S128 VanDerWaalsContact O-CB 3.27Å; S124-S128 WeakPolarHBondContact O-CB 3.21Å; S124-S128 PolarHBondContact O-N 3.3Å; S124-S128 PolarHBondContact O-OG 2.94Å
125	Q	83.1	Confident	82.4	Confident	80 Å²	80	80 Å²	80	37%	0.374	41%	0.411	S	S	.	.	H	α-helix	trans	-67.3	-46.4	175.6	-79.8	178.5	-17	0	0	111	K121 L122 S128 S129	K121-Q125 WeakPolarHBondContact O-CB 3.49Å; K121-Q125 VanDerWaalsContact O-CG 3.23Å; K121-Q125 WeakPolarHBondContact O-CG 3.44Å; K121-Q125 PolarHBondContact O-N 3.41Å; L122-Q125 PolarHBondContact O-N 3.47Å; Q125-S128 PolarHBondContact O-N 3.41Å; Q125-S129 WeakPolarHBondContact O-CB 3.5Å; Q125-S129 PolarHBondContact O-N 2.98Å; Q125-S129 PolarHBondContact O-OG 3.5Å
126	E	80.4	Confident	82.4	Confident	62 Å²	62	79.6 Å²	79.6	29%	0.29	41%	0.405	S	S	.	.	H	α-helix	trans	-59.1	-48.5	175.5	-178.4	174.5	-157.8	0	0	111.1	L122 E123 S128 S129 S130	L122-E126 WeakPolarHBondContact O-CB 3.18Å; L122-E126 PolarHBondContact O-N 2.79Å; E123-E126 PolarHBondContact O-N 3.09Å; E126-S128 VanDerWaalsContact C-N 3.32Å; E126-S128 PolarHBondContact O-N 2.9Å; E126-S129 WeakPolarHBondContact CA-OG 3.47Å; E126-S129 PolarHBondContact O-N 3.49Å; E126-S129 PolarHBondContact O-OG 3.3Å; E126-S130 WeakPolarHBondContact O-CB 3.4Å; E126-S130 PolarHBondContact O-N 3.38Å
127	N	82.7	Confident	82.2	Confident	96 Å²	96	76.8 Å²	76.8	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-37.8	177.2	-175.2	76.6	0	0	0	112.3	E123 N131	E123-N127 VanDerWaalsContact O-CB 3.31Å; E123-N127 WeakPolarHBondContact O-CB 3.47Å; E123-N127 PolarHBondContact O-N 3.39Å; N127-N131 VanDerWaalsContact CG-ND2 3.35Å; N127-N131 PolarHBondContact ND2-ND2 3.16Å; N127-N131 VanDerWaalsContact O-CB 3.25Å; N127-N131 WeakPolarHBondContact O-CB 3.43Å; N127-N131 PolarHBondContact O-N 3.16Å; N127-N131 PolarHBondContact O-ND2 3.2Å; N127-N131 PolarHBondContact OD1-ND2 3.04Å
128	S	77	Confident	82	Confident	67 Å²	67	76.9 Å²	76.9	47%	0.469	39%	0.394	S	S	.	.	H	α-helix	trans	-73.5	-32	178	-56.9	0	0	0	0	112.7	S124 Q125 E126 R132	S124-S128 VanDerWaalsContact O-CB 3.27Å; S124-S128 WeakPolarHBondContact O-CB 3.21Å; S124-S128 PolarHBondContact O-N 3.3Å; S124-S128 PolarHBondContact O-OG 2.94Å; Q125-S128 PolarHBondContact O-N 3.41Å; E126-S128 VanDerWaalsContact C-N 3.32Å; E126-S128 PolarHBondContact O-N 2.9Å; S128-R132 WeakPolarHBondContact O-CB 3.39Å
129	S	72.3	Confident	81.9	Confident	41 Å²	41	79.2 Å²	79.2	29%	0.287	40%	0.402	S	S	.	.	H	α-helix	trans	-77.3	-37.2	173.7	52.5	0	0	0	0	112.2	Q125 E126	Q125-S129 WeakPolarHBondContact O-CB 3.5Å; Q125-S129 PolarHBondContact O-N 2.98Å; Q125-S129 PolarHBondContact O-OG 3.5Å; E126-S129 WeakPolarHBondContact CA-OG 3.47Å; E126-S129 PolarHBondContact O-N 3.49Å; E126-S129 PolarHBondContact O-OG 3.3Å
130	S	73	Confident	81.8	Confident	93 Å²	93	77.4 Å²	77.4	65%	0.65	40%	0.401	S	S	*	.	H	α-helix	trans	-73.9	-33.7	-178.4	-173.2	0	0	0	0	112.1	E126	E126-S130 WeakPolarHBondContact O-CB 3.4Å; E126-S130 PolarHBondContact O-N 3.38Å
131	N	66.5	Low	81.3	Confident	106 Å²	106	77 Å²	77	57%	0.567	41%	0.411	S	S	*	.	S	Bend	trans	-96.8	-0.9	-175.4	-65.8	-25.9	0	0	0	114.3	N127	N127-N131 VanDerWaalsContact CG-ND2 3.35Å; N127-N131 PolarHBondContact ND2-ND2 3.16Å; N127-N131 VanDerWaalsContact O-CB 3.25Å; N127-N131 WeakPolarHBondContact O-CB 3.43Å; N127-N131 PolarHBondContact O-N 3.16Å; N127-N131 PolarHBondContact O-ND2 3.2Å; N127-N131 PolarHBondContact OD1-ND2 3.04Å
132	R	69.5	Low	81	Confident	176 Å²	176	74.4 Å²	74.4	66%	0.664	40%	0.4	S	S	*	.			trans	-104.9	76.5	-177.3	-165.9	176	-179	-176.5	0.4	111.4	S128 S134	S128-R132 WeakPolarHBondContact O-CB 3.39Å; R132-S134 PolarHBondContact O-N 3.1Å
133	S	74	Confident	81	Confident	48 Å²	48	75 Å²	75	34%	0.336	41%	0.407	S	S	.	.			trans	-66.4	127.6	155.6	58.4	0	0	0	0	107.7
134	S	80.8	Confident	80.8	Confident	4 Å²	4	72.4 Å²	72.4	3%	0.028	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.7	177.4	65	0	0	0	0	109.4	R132 Y144 N170	R132-S134 PolarHBondContact O-N 3.1Å; S134-Y144 CarbonylContact C-O 3.58Å; S134-Y144 WeakPolarHBondContact CA-O 3.16Å; S134-N170 WeakPolarHBondContact O-CA 3.2Å; S134-N170 WeakPolarHBondContact O-CB 3.46Å; S134-N170 PolarHBondContact O-N 2.8Å
135	F	83.7	Confident	80.8	Confident	32 Å²	32	71.2 Å²	71.2	14%	0.14	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.9	-177.9	-57.9	-87	0	0	0	109.1	V143 Y144 D146 I149 V167 V168 E169	F135-V143 CarbonylContact O-C 3.57Å; F135-V143 WeakPolarHBondContact O-CA 3.34Å; F135-Y144 PolarHBondContact N-O 3.05Å; F135-Y144 PolarHBondContact O-N 2.78Å; F135-D146 HydrophobicContact CE2-CB 4.43Å; F135-I149 HydrophobicContact CD2-CG1 4.22Å; F135-I149 HydrophobicContact CE2-CD1 3.57Å; F135-I149 HydrophobicContact CE2-CG1 3.65Å; F135-I149 HydrophobicContact CZ-CD1 3.85Å; F135-I149 HydrophobicContact CZ-CG1 4.19Å; F135-V167 HydrophobicContact CB-CG1 3.44Å; F135-V167 VanDerWaalsContact CB-CG1 3.44Å; F135-V168 CarbonylContact C-O 3.59Å; F135-V168 WeakPolarHBondContact CA-O 3.26Å; F135-E169 HydrophobicContact CD1-CB 4.39Å; F135-E169 HydrophobicContact CE1-CB 4.47Å
136	K	87.8	Confident	80.8	Confident	89 Å²	89	71 Å²	71	39%	0.387	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.1	178.2	64.5	179.5	168.3	-153.7	0	111.2	K142 V167 V168 N170	K136-K142 WeakPolarHBondContact CA-O 3.46Å; K136-V167 WeakPolarHBondContact O-CG1 3.44Å; K136-V168 PolarHBondContact N-O 2.82Å; K136-V168 PolarHBondContact O-N 2.98Å; K136-N170 HydrophobicContact CB-CB 4.06Å; K136-N170 HydrophobicContact CD-CB 3.98Å; K136-N170 WeakPolarHBondContact CD-OD1 3.33Å; K136-N170 WeakPolarHBondContact CE-OD1 3.33Å; K136-N170 HydrophobicContact CG-CB 3.86Å; K136-N170 PolarHBondContact NZ-OD1 3.23Å
137	C	88	Confident	81	Confident	4 Å²	4	74.7 Å²	74.7	3%	0.027	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.4	172.2	-177.8	0	0	0	0	111.3	K139 C140 S141 K142 Y144 C160 C163	C137-K139 VanDerWaalsContact C-N 3.33Å; C137-K139 PolarHBondContact O-N 3.36Å; C137-C140 VanDerWaalsContact CB-SG 3.52Å; C137-C140 VanDerWaalsContact SG-SG 3.61Å; C137-S141 WeakPolarHBondContact O-CA 3.27Å; C137-S141 PolarHBondContact O-N 3.2Å; C137-S141 VanDerWaalsContact O-N 3.1Å; C137-K142 PolarHBondContact N-O 3.49Å; C137-Y144 HydrophobicContact CB-CE2 4.42Å; C137-C160 HydrophobicContact CB-CB 3.93Å; C137-C160 WeakPolarHBondContact SG-CB 3.45Å; C137-C163 PolarHBondContact SG-SG 3.03Å
138	T	86.8	Confident	81	Confident	91 Å²	91	74.1 Å²	74.1	56%	0.558	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.1	-179.5	49.8	0	0	0	0	114.9	I166 V168	T138-I166 PolarHBondContact OG1-O 3.32Å; T138-V168 HydrophobicContact CG2-CG2 3.63Å
139	K	85.5	Confident	81.2	Confident	152 Å²	152	73.5 Å²	73.5	66%	0.661	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-38	-176.9	-63.6	-150.8	-166.5	147.9	0	114.9	C137 N165	C137-K139 VanDerWaalsContact C-N 3.33Å; C137-K139 PolarHBondContact O-N 3.36Å; K139-N165 HydrophobicContact CB-CB 4.36Å; K139-N165 HydrophobicContact CD-CB 4.43Å; K139-N165 VanDerWaalsContact CD-CG 3.44Å; K139-N165 WeakPolarHBondContact CD-ND2 3.38Å; K139-N165 WeakPolarHBondContact CD-OD1 3.29Å; K139-N165 VanDerWaalsContact CE-CG 3.47Å; K139-N165 WeakPolarHBondContact CE-OD1 3.44Å; K139-N165 HydrophobicContact CG-CB 4Å; K139-N165 WeakPolarHBondContact CG-ND2 3.25Å; K139-N165 PolarHBondContact NZ-OD1 3.49Å
140	C	86.7	Confident	81.7	Confident	40 Å²	40	78.5 Å²	78.5	27%	0.27	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	2.5	-175.9	72	0	0	0	0	114	C137 K142 C160	C137-C140 VanDerWaalsContact CB-SG 3.52Å; C137-C140 VanDerWaalsContact SG-SG 3.61Å; C140-K142 PolarHBondContact O-N 3.07Å; C140-C160 PolarHBondContact SG-SG 3.18Å
141	S	81.8	Confident	82.2	Confident	101 Å²	101	79 Å²	79	71%	0.706	42%	0.416	S	S	*	.			trans	48.8	23.7	179.5	61.2	0	0	0	0	115.2	C137	C137-S141 WeakPolarHBondContact O-CA 3.27Å; C137-S141 PolarHBondContact O-N 3.2Å; C137-S141 VanDerWaalsContact O-N 3.1Å
142	K	82.6	Confident	82.9	Confident	81 Å²	81	74 Å²	74	35%	0.352	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-74.7	131.5	173.4	-72.3	-172.7	179.9	-165.1	0	108.6	K136 C137 C140 Y144 Y162	K136-K142 WeakPolarHBondContact CA-O 3.46Å; C137-K142 PolarHBondContact N-O 3.49Å; C140-K142 PolarHBondContact O-N 3.07Å; K142-Y144 HydrophobicContact CB-CE2 3.95Å; K142-Y162 HydrophobicContact CD-CD2 3.46Å; K142-Y162 VanDerWaalsContact CD-CD2 3.46Å; K142-Y162 HydrophobicContact CD-CE2 3.62Å; K142-Y162 HydrophobicContact CD-CG 4.37Å
143	V	86.4	Confident	83.5	Confident	75 Å²	75	72.1 Å²	72.1	46%	0.455	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.2	177	-177.5	0	0	0	0	107.5	F135	F135-V143 CarbonylContact O-C 3.57Å; F135-V143 WeakPolarHBondContact O-CA 3.34Å
144	Y	83.6	Confident	83.7	Confident	13 Å²	13	75 Å²	75	5%	0.051	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.5	176.5	-65.3	-80.7	0	0	0	109.9	S134 F135 C137 K142 E148 L152 C160 V161 Y162 V167	S134-Y144 CarbonylContact C-O 3.58Å; S134-Y144 WeakPolarHBondContact CA-O 3.16Å; F135-Y144 PolarHBondContact N-O 3.05Å; F135-Y144 PolarHBondContact O-N 2.78Å; C137-Y144 HydrophobicContact CB-CE2 4.42Å; K142-Y144 HydrophobicContact CB-CE2 3.95Å; Y144-E148 VanDerWaalsContact CA-OE2 3.24Å; Y144-E148 WeakPolarHBondContact CA-OE2 3.33Å; Y144-E148 HydrophobicContact CD1-CB 4.27Å; Y144-E148 WeakPolarHBondContact CD1-OE2 3.47Å; Y144-L152 HydrophobicContact CD1-CD1 4.02Å; Y144-L152 HydrophobicContact CD1-CD2 4.09Å; Y144-L152 HydrophobicContact CD1-CG 4.45Å; Y144-L152 HydrophobicContact CD2-CD1 4.02Å; Y144-L152 HydrophobicContact CD2-CD2 4.19Å; Y144-L152 HydrophobicContact CE1-CD2 3.96Å; Y144-L152 HydrophobicContact CE2-CD2 4.06Å; Y144-L152 HydrophobicContact CG-CD1 3.63Å; Y144-L152 HydrophobicContact CG-CD2 4.21Å; Y144-L152 HydrophobicContact CG-CG 4.47Å; Y144-C160 HydrophobicContact CE2-CB 4.32Å; Y144-C160 PolarHBondContact OH-SG 3.04Å; Y144-V161 HydrophobicContact CE1-CG2 4.4Å; Y144-Y162 WeakPolarHBondContact OH-CD2 3.43Å; Y144-V167 HydrophobicContact CD2-CG1 4.14Å
145	S	84.4	Confident	83.5	Confident	44 Å²	44	77.2 Å²	77.2	31%	0.308	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	163.6	171.3	60.9	0	0	0	0	111.1	L147 E148	S145-L147 PolarHBondContact O-N 2.99Å; S145-E148 PolarHBondContact N-OE2 3.27Å; S145-E148 PolarHBondContact O-N 3.21Å
146	D	84	Confident	83.3	Confident	77 Å²	77	84.1 Å²	84.1	41%	0.412	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-56.9	-28.8	171.3	60.9	-18.6	0	0	0	113.4	F135 E148 I149	F135-D146 HydrophobicContact CE2-CB 4.43Å; D146-E148 PolarHBondContact O-N 2.71Å; D146-I149 HydrophobicContact CB-CD1 3.91Å; D146-I149 WeakPolarHBondContact O-CB 3.18Å; D146-I149 WeakPolarHBondContact O-CD1 3.38Å; D146-I149 WeakPolarHBondContact O-CG1 3.42Å; D146-I149 PolarHBondContact O-N 3.38Å
147	L	83.3	Confident	83	Confident	138 Å²	138	84.3 Å²	84.3	72%	0.723	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.3	173.9	-66.3	102.9	0	0	0	113.4	S145 I149	S145-L147 PolarHBondContact O-N 2.99Å; L147-I149 VanDerWaalsContact C-N 3.33Å
148	E	82.6	Confident	82.7	Confident	85 Å²	85	85.5 Å²	85.5	40%	0.397	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-89.7	0.2	-176	-64.8	170	133	0	0	112.7	Y144 S145 D146 N150 V151 L152	Y144-E148 VanDerWaalsContact CA-OE2 3.24Å; Y144-E148 WeakPolarHBondContact CA-OE2 3.33Å; Y144-E148 HydrophobicContact CD1-CB 4.27Å; Y144-E148 WeakPolarHBondContact CD1-OE2 3.47Å; S145-E148 PolarHBondContact N-OE2 3.27Å; S145-E148 PolarHBondContact O-N 3.21Å; D146-E148 PolarHBondContact O-N 2.71Å; E148-N150 PolarHBondContact O-N 2.96Å; E148-V151 PolarHBondContact O-N 3.42Å; E148-L152 WeakPolarHBondContact O-CG 3.29Å; E148-L152 PolarHBondContact O-N 2.82Å
149	I	82.7	Confident	82.7	Confident	54 Å²	54	84.8 Å²	84.8	28%	0.277	45%	0.446	S	S	.	.	H	α-helix	trans	-56	-40.5	-178.7	-68.7	168.1	0	0	0	111.7	F135 D146 L147 V151 L152 W153 M158	F135-I149 HydrophobicContact CD2-CG1 4.22Å; F135-I149 HydrophobicContact CE2-CD1 3.57Å; F135-I149 HydrophobicContact CE2-CG1 3.65Å; F135-I149 HydrophobicContact CZ-CD1 3.85Å; F135-I149 HydrophobicContact CZ-CG1 4.19Å; D146-I149 HydrophobicContact CB-CD1 3.91Å; D146-I149 WeakPolarHBondContact O-CB 3.18Å; D146-I149 WeakPolarHBondContact O-CD1 3.38Å; D146-I149 WeakPolarHBondContact O-CG1 3.42Å; D146-I149 PolarHBondContact O-N 3.38Å; L147-I149 VanDerWaalsContact C-N 3.33Å; I149-V151 PolarHBondContact O-N 3.35Å; I149-V151 VanDerWaalsContact O-N 3.13Å; I149-L152 PolarHBondContact O-N 3.05Å; I149-L152 VanDerWaalsContact O-N 3.07Å; I149-W153 WeakPolarHBondContact O-CB 3.37Å; I149-W153 PolarHBondContact O-N 3.39Å; I149-M158 HydrophobicContact CB-CE 3.99Å; I149-M158 HydrophobicContact CG1-CE 3.79Å; I149-M158 HydrophobicContact CG2-CE 3.74Å; I149-M158 HydrophobicContact CG2-SD 4.04Å
150	N	81.7	Confident	82.8	Confident	145 Å²	145	77.7 Å²	77.7	78%	0.775	42%	0.416	S	S	*	.	H	α-helix	trans	-60	-26.7	-178.5	-67.1	-42.2	0	0	0	113.3	E148	E148-N150 PolarHBondContact O-N 2.96Å
151	V	83	Confident	82.8	Confident	105 Å²	105	79.9 Å²	79.9	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-90.4	-27.6	178.9	-175.2	0	0	0	0	111.5	E148 I149 V161	E148-V151 PolarHBondContact O-N 3.42Å; I149-V151 PolarHBondContact O-N 3.35Å; I149-V151 VanDerWaalsContact O-N 3.13Å; V151-V161 HydrophobicContact CG1-CG2 3.97Å
152	L	82.1	Confident	82.9	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-82.1	-21.6	179.7	-63.1	171.6	0	0	0	112.8	Y144 E148 I149 N154 M158 K159 V161 V167	Y144-L152 HydrophobicContact CD1-CD1 4.02Å; Y144-L152 HydrophobicContact CD1-CD2 4.09Å; Y144-L152 HydrophobicContact CD1-CG 4.45Å; Y144-L152 HydrophobicContact CD2-CD1 4.02Å; Y144-L152 HydrophobicContact CD2-CD2 4.19Å; Y144-L152 HydrophobicContact CE1-CD2 3.96Å; Y144-L152 HydrophobicContact CE2-CD2 4.06Å; Y144-L152 HydrophobicContact CG-CD1 3.63Å; Y144-L152 HydrophobicContact CG-CD2 4.21Å; Y144-L152 HydrophobicContact CG-CG 4.47Å; E148-L152 WeakPolarHBondContact O-CG 3.29Å; E148-L152 PolarHBondContact O-N 2.82Å; I149-L152 PolarHBondContact O-N 3.05Å; I149-L152 VanDerWaalsContact O-N 3.07Å; L152-N154 PolarHBondContact O-N 3.35Å; L152-M158 HydrophobicContact CB-CE 3.74Å; L152-M158 HydrophobicContact CB-SD 4.08Å; L152-M158 HydrophobicContact CD1-CE 3.99Å; L152-M158 CarbonylContact O-C 3.58Å; L152-M158 WeakPolarHBondContact O-CA 3.21Å; L152-K159 WeakPolarHBondContact CD2-O 3.48Å; L152-K159 PolarHBondContact O-N 3.38Å; L152-V161 HydrophobicContact CD2-CG2 3.9Å; L152-V167 HydrophobicContact CD2-CG2 4.36Å
153	W	82.1	Confident	83	Confident	137 Å²	137	81 Å²	81	52%	0.519	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-81.9	110.1	-174.5	-176.3	-106.5	0	0	0	112.4	I149 M158	I149-W153 WeakPolarHBondContact O-CB 3.37Å; I149-W153 PolarHBondContact O-N 3.39Å; W153-M158 HydrophobicContact CB-SD 4.09Å; W153-M158 HydrophobicContact CD2-SD 4.49Å; W153-M158 HydrophobicContact CE3-CG 4Å; W153-M158 HydrophobicContact CE3-SD 3.64Å; W153-M158 HydrophobicContact CZ3-CG 4.34Å; W153-M158 HydrophobicContact CZ3-SD 4.49Å
154	N	78.3	Confident	82.8	Confident	109 Å²	109	80.6 Å²	80.6	58%	0.583	43%	0.426	S	S	*	.			trans	-97	19.8	176.6	-78.4	-12	0	0	0	113.5	L152 Q156 E157	L152-N154 PolarHBondContact O-N 3.35Å; N154-Q156 PolarHBondContact O-N 3.07Å; N154-E157 PolarHBondContact N-O 3.21Å
155	G	76.3	Confident	82.7	Confident	49 Å²	49	81.6 Å²	81.6	51%	0.505	43%	0.432	S	S	.	.	S	Bend	trans	89.7	-16.7	177.3	0	0	0	0	0	116.2
156	Q	78.6	Confident	82.7	Confident	177 Å²	177	83.6 Å²	83.6	83%	0.827	44%	0.439	S	S	*	.	S	Bend	trans	-132.8	-37.3	177.6	-69	-179.6	-13.1	0	0	112.8	N154	N154-Q156 PolarHBondContact O-N 3.07Å
157	E	83.4	Confident	82.8	Confident	94 Å²	94	80.4 Å²	80.4	44%	0.439	42%	0.422	S	S	.	.	S	Bend	trans	-144	153.7	-178.1	-64.5	177.9	165.8	0	0	111	N154 K159	N154-E157 PolarHBondContact N-O 3.21Å; E157-K159 PolarHBondContact O-N 3.25Å
158	M	81.6	Confident	82.9	Confident	29 Å²	29	77.1 Å²	77.1	14%	0.143	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-80.3	109.1	174.1	-67.5	-70.8	-80.6	0	0	110.1	I149 L152 W153 I166 V167	I149-M158 HydrophobicContact CB-CE 3.99Å; I149-M158 HydrophobicContact CG1-CE 3.79Å; I149-M158 HydrophobicContact CG2-CE 3.74Å; I149-M158 HydrophobicContact CG2-SD 4.04Å; L152-M158 HydrophobicContact CB-CE 3.74Å; L152-M158 HydrophobicContact CB-SD 4.08Å; L152-M158 HydrophobicContact CD1-CE 3.99Å; L152-M158 CarbonylContact O-C 3.58Å; L152-M158 WeakPolarHBondContact O-CA 3.21Å; W153-M158 HydrophobicContact CB-SD 4.09Å; W153-M158 HydrophobicContact CD2-SD 4.49Å; W153-M158 HydrophobicContact CE3-CG 4Å; W153-M158 HydrophobicContact CE3-SD 3.64Å; W153-M158 HydrophobicContact CZ3-CG 4.34Å; W153-M158 HydrophobicContact CZ3-SD 4.49Å; M158-I166 WeakPolarHBondContact O-CA 3.41Å; M158-V167 HydrophobicContact CB-CB 4.24Å; M158-V167 PolarHBondContact O-N 2.7Å
159	K	86.6	Confident	82.8	Confident	75 Å²	75	77.9 Å²	77.9	33%	0.326	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-112.2	136.3	-177.2	-65.1	-174.4	-173.9	174.6	0	111.2	L152 E157 N165	L152-K159 WeakPolarHBondContact CD2-O 3.48Å; L152-K159 PolarHBondContact O-N 3.38Å; E157-K159 PolarHBondContact O-N 3.25Å; K159-N165 WeakPolarHBondContact CA-O 3.49Å
160	C	87.7	Confident	82.5	Confident	4 Å²	4	77 Å²	77	3%	0.027	41%	0.406	C	S	.	.			trans	-64.8	134.2	175.8	171.5	0	0	0	0	111.5	C137 C140 Y144 Y162 A164 N165 V167	C137-C160 HydrophobicContact CB-CB 3.93Å; C137-C160 WeakPolarHBondContact SG-CB 3.45Å; C140-C160 PolarHBondContact SG-SG 3.18Å; Y144-C160 HydrophobicContact CE2-CB 4.32Å; Y144-C160 PolarHBondContact OH-SG 3.04Å; C160-Y162 PolarHBondContact O-N 3.33Å; C160-Y162 VanDerWaalsContact O-N 3.13Å; C160-Y162 PolarHBondContact SG-N 2.9Å; C160-Y162 VanDerWaalsContact SG-N 3.43Å; C160-A164 VanDerWaalsContact O-CA 3.28Å; C160-A164 WeakPolarHBondContact O-CA 3.49Å; C160-A164 PolarHBondContact O-N 3.04Å; C160-N165 PolarHBondContact N-O 3.1Å; C160-V167 HydrophobicContact CB-CG2 3.98Å
161	V	85.7	Confident	81.9	Confident	85 Å²	85	75.7 Å²	75.7	52%	0.515	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33	178.4	-176.9	0	0	0	0	113.4	Y144 V151 L152	Y144-V161 HydrophobicContact CE1-CG2 4.4Å; V151-V161 HydrophobicContact CG1-CG2 3.97Å; L152-V161 HydrophobicContact CD2-CG2 3.9Å
162	Y	83.7	Confident	80.9	Confident	163 Å²	163	74.9 Å²	74.9	64%	0.639	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-30.3	-171.4	-61.1	-80.2	0	0	0	114.5	K142 Y144 C160	K142-Y162 HydrophobicContact CD-CD2 3.46Å; K142-Y162 VanDerWaalsContact CD-CD2 3.46Å; K142-Y162 HydrophobicContact CD-CE2 3.62Å; K142-Y162 HydrophobicContact CD-CG 4.37Å; Y144-Y162 WeakPolarHBondContact OH-CD2 3.43Å; C160-Y162 PolarHBondContact O-N 3.33Å; C160-Y162 VanDerWaalsContact O-N 3.13Å; C160-Y162 PolarHBondContact SG-N 2.9Å; C160-Y162 VanDerWaalsContact SG-N 3.43Å
163	C	85.8	Confident	79.6	Confident	42 Å²	42	80.5 Å²	80.5	28%	0.284	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	1.2	-172.8	66.5	0	0	0	0	113.8	C137 N165	C137-C163 PolarHBondContact SG-SG 3.03Å; C163-N165 WeakPolarHBondContact CB-ND2 3.45Å; C163-N165 PolarHBondContact O-N 3.44Å; C163-N165 PolarHBondContact O-ND2 3.15Å; C163-N165 PolarHBondContact SG-ND2 3.47Å
164	A	81.7	Confident	78	Confident	68 Å²	68	77.8 Å²	77.8	56%	0.562	43%	0.433	S	S	*	.			trans	52.8	16.7	-177.9	0	0	0	0	0	114.8	C160	C160-A164 VanDerWaalsContact O-CA 3.28Å; C160-A164 WeakPolarHBondContact O-CA 3.49Å; C160-A164 PolarHBondContact O-N 3.04Å
165	N	82.4	Confident	76.7	Confident	33 Å²	33	76.2 Å²	76.2	18%	0.176	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-87	155.4	177.2	-65.8	-68.8	0	0	0	111.2	K139 K159 C160 C163 V167	K139-N165 HydrophobicContact CB-CB 4.36Å; K139-N165 HydrophobicContact CD-CB 4.43Å; K139-N165 VanDerWaalsContact CD-CG 3.44Å; K139-N165 WeakPolarHBondContact CD-ND2 3.38Å; K139-N165 WeakPolarHBondContact CD-OD1 3.29Å; K139-N165 VanDerWaalsContact CE-CG 3.47Å; K139-N165 WeakPolarHBondContact CE-OD1 3.44Å; K139-N165 HydrophobicContact CG-CB 4Å; K139-N165 WeakPolarHBondContact CG-ND2 3.25Å; K139-N165 PolarHBondContact NZ-OD1 3.49Å; K159-N165 WeakPolarHBondContact CA-O 3.49Å; C160-N165 PolarHBondContact N-O 3.1Å; C163-N165 WeakPolarHBondContact CB-ND2 3.45Å; C163-N165 PolarHBondContact O-N 3.44Å; C163-N165 PolarHBondContact O-ND2 3.15Å; C163-N165 PolarHBondContact SG-ND2 3.47Å; N165-V167 PolarHBondContact O-N 2.84Å
166	I	84.4	Confident	75.9	Confident	87 Å²	87	76.9 Å²	76.9	45%	0.446	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-58.6	128.3	179.5	-58	164.2	0	0	0	109.5	T138 M158	T138-I166 PolarHBondContact OG1-O 3.32Å; M158-I166 WeakPolarHBondContact O-CA 3.41Å
167	V	85.8	Confident	74.6	Confident	9 Å²	9	77.6 Å²	77.6	6%	0.055	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.5	173.5	-164.4	0	0	0	0	108	F135 K136 Y144 L152 M158 C160 N165	F135-V167 HydrophobicContact CB-CG1 3.44Å; F135-V167 VanDerWaalsContact CB-CG1 3.44Å; K136-V167 WeakPolarHBondContact O-CG1 3.44Å; Y144-V167 HydrophobicContact CD2-CG1 4.14Å; L152-V167 HydrophobicContact CD2-CG2 4.36Å; M158-V167 HydrophobicContact CB-CB 4.24Å; M158-V167 PolarHBondContact O-N 2.7Å; C160-V167 HydrophobicContact CB-CG2 3.98Å; N165-V167 PolarHBondContact O-N 2.84Å
168	V	84	Confident	73.3	Confident	69 Å²	69	74.8 Å²	74.8	42%	0.418	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.6	-178.2	179.6	0	0	0	0	108.4	F135 K136 T138 N170	F135-V168 CarbonylContact C-O 3.59Å; F135-V168 WeakPolarHBondContact CA-O 3.26Å; K136-V168 PolarHBondContact N-O 2.82Å; K136-V168 PolarHBondContact O-N 2.98Å; T138-V168 HydrophobicContact CG2-CG2 3.63Å; V168-N170 PolarHBondContact O-N 3.05Å
169	E	81.2	Confident	72.1	Confident	102 Å²	102	75.4 Å²	75.4	48%	0.477	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	127.6	172	-170.9	164	-161.6	0	0	109.8	F135 D171	F135-E169 HydrophobicContact CD1-CB 4.39Å; F135-E169 HydrophobicContact CE1-CB 4.47Å; E169-D171 VanDerWaalsContact C-N 3.31Å; E169-D171 PolarHBondContact O-N 2.93Å
170	N	75.8	Confident	70.6	Confident	34 Å²	34	77.1 Å²	77.1	18%	0.182	45%	0.454	C	S	.	.			trans	-88.8	82.2	175	-166.7	22.8	0	0	0	107.5	S134 K136 V168 V172	S134-N170 WeakPolarHBondContact O-CA 3.2Å; S134-N170 WeakPolarHBondContact O-CB 3.46Å; S134-N170 PolarHBondContact O-N 2.8Å; K136-N170 HydrophobicContact CB-CB 4.06Å; K136-N170 HydrophobicContact CD-CB 3.98Å; K136-N170 WeakPolarHBondContact CD-OD1 3.33Å; K136-N170 WeakPolarHBondContact CE-OD1 3.33Å; K136-N170 HydrophobicContact CG-CB 3.86Å; K136-N170 PolarHBondContact NZ-OD1 3.23Å; V168-N170 PolarHBondContact O-N 3.05Å; N170-V172 PolarHBondContact O-N 3.26Å
171	D	69.2	Low	69.1	Low	118 Å²	118	83.8 Å²	83.8	63%	0.631	48%	0.484	S	S	*	.			trans	-63.8	88.8	160.9	-63.2	-37.3	0	0	0	106.8	E169 P173	E169-D171 VanDerWaalsContact C-N 3.31Å; E169-D171 PolarHBondContact O-N 2.93Å; D171-P173 VanDerWaalsContact O-CD 3.3Å; D171-P173 WeakPolarHBondContact O-CD 3.06Å
172	V	62.2	Low	67.8	Low	89 Å²	89	83.8 Å²	83.8	54%	0.539	48%	0.481	S	S	.	.			trans	-64	118.5	159.9	-164	0	0	0	0	103.5	N170 S174	N170-V172 PolarHBondContact O-N 3.26Å; V172-S174 VanDerWaalsContact C-N 3.34Å; V172-S174 PolarHBondContact O-N 2.88Å; V172-S174 PolarHBondContact O-OG 3.41Å
173	P	55.3	Low	66.4	Low	118 Å²	118	80.3 Å²	80.3	77%	0.766	47%	0.473	S	S	*	.			trans	-60.4	103	179.8	23.1	-31.3	0	0	0	107.6	D171 G175	D171-P173 VanDerWaalsContact O-CD 3.3Å; D171-P173 WeakPolarHBondContact O-CD 3.06Å; P173-G175 PolarHBondContact O-N 3.34Å
174	S	48.3	Very low	65.2	Low	79 Å²	79	85.6 Å²	85.6	55%	0.552	49%	0.494	S	S	*	.			trans	-66.4	77.4	178.8	-57.9	0	0	0	0	108.9	V172 I176	V172-S174 VanDerWaalsContact C-N 3.34Å; V172-S174 PolarHBondContact O-N 2.88Å; V172-S174 PolarHBondContact O-OG 3.41Å; S174-I176 PolarHBondContact O-N 3.49Å
175	G	51.2	Low	64.2	Low	76 Å²	76	86.7 Å²	86.7	78%	0.784	50%	0.495	S	S	*	.			trans	-73.1	28.4	178.4	0	0	0	0	0	114	P173	P173-G175 PolarHBondContact O-N 3.34Å
176	I	58.9	Low	62.9	Low	64 Å²	64	91.9 Å²	91.9	33%	0.328	52%	0.523	S	S	.	.			trans	-144.3	78.3	-173.7	-48.8	168.8	0	0	0	108.4	S174 L178	S174-I176 PolarHBondContact O-N 3.49Å; I176-L178 HydrophobicContact CG2-CD1 3.16Å
177	Q	50.8	Low	61.5	Low	192 Å²	192	92 Å²	92	90%	0.897	53%	0.529	S	S	*	.			trans	-91	97.5	156.4	-89.7	159.1	-6	0	0	106.8	A179	Q177-A179 PolarHBondContact O-N 3.37Å
178	L	56.7	Low	60	Low	34 Å²	34	96.4 Å²	96.4	18%	0.178	56%	0.558	C	S	.	*			trans	-71.9	127.2	169.6	-104	80.6	0	0	0	108.2	L122 I176 L182	L122-L178 HydrophobicContact CB-CD1 4.4Å; L122-L178 HydrophobicContact CB-CD2 3.58Å; L122-L178 HydrophobicContact CD1-CD2 4.05Å; L122-L178 HydrophobicContact CD2-CD1 4.08Å; L122-L178 HydrophobicContact CD2-CD2 4.39Å; L122-L178 HydrophobicContact CG-CD2 4.2Å; I176-L178 HydrophobicContact CG2-CD1 3.16Å; L178-L182 HydrophobicContact CD2-CD1 4.22Å; L178-L182 HydrophobicContact CG-CD1 4.41Å
179	A	56.3	Low	58.3	Low	42 Å²	42	96.6 Å²	96.6	35%	0.347	57%	0.566	S	S	.	*			trans	-60.6	133.6	-179.4	0	0	0	0	0	110.1	Q177 H181 L182	Q177-A179 PolarHBondContact O-N 3.37Å; A179-H181 VanDerWaalsContact CB-CE1 3.42Å; A179-H181 WeakPolarHBondContact CB-CE1 3.49Å; A179-H181 WeakPolarHBondContact CB-ND1 3.28Å; A179-H181 PolarHBondContact O-N 3.02Å; A179-L182 PolarHBondContact O-N 2.97Å
180	P	55.4	Low	56.7	Low	112 Å²	112	100.2 Å²	100.2	73%	0.727	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-53.6	-24.1	-177	-27.8	33.1	0	0	0	114.6	L182 L183	P180-L182 PolarHBondContact O-N 3.1Å; P180-L183 PolarHBondContact O-N 2.67Å
181	H	56.8	Low	55.5	Low	144 Å²	144	105.7 Å²	105.7	67%	0.667	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-67.3	-14.9	176.6	82.2	-87.8	0	0	0	114.6	A179	A179-H181 VanDerWaalsContact CB-CE1 3.42Å; A179-H181 WeakPolarHBondContact CB-CE1 3.49Å; A179-H181 WeakPolarHBondContact CB-ND1 3.28Å; A179-H181 PolarHBondContact O-N 3.02Å
182	L	58.1	Low	54.6	Low	84 Å²	84	108.7 Å²	108.7	44%	0.44	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-82	-24.2	174.1	-85	163	0	0	0	112.2	R119 L178 A179 P180	R119-L182 PolarHBondContact NH1-O 3.4Å; R119-L182 PolarHBondContact NH2-O 3.14Å; L178-L182 HydrophobicContact CD2-CD1 4.22Å; L178-L182 HydrophobicContact CG-CD1 4.41Å; A179-L182 PolarHBondContact O-N 2.97Å; P180-L182 PolarHBondContact O-N 3.1Å
183	L	53.7	Low	53.9	Low	91 Å²	91	109.8 Å²	109.8	48%	0.476	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-22.2	-177	-139.5	82.5	0	0	0	113	E123 P180 P185	E123-L183 HydrophobicContact CG-CD1 3.79Å; P180-L183 PolarHBondContact O-N 2.67Å; L183-P185 VanDerWaalsContact O-CD 3.3Å; L183-P185 WeakPolarHBondContact O-CD 3.49Å
184	E	60.9	Low	53.7	Low	153 Å²	153	109.6 Å²	109.6	72%	0.715	61%	0.606	S	S	*	*			trans	-115.7	90.2	-178.1	-64.4	-176.5	179.2	0	0	109.7	D186	E184-D186 PolarHBondContact O-N 3.28Å
185	P	61	Low	53.7	Low	90 Å²	90	114.6 Å²	114.6	58%	0.584	61%	0.613	S	S	*	*			trans	-65.7	108.8	163.3	28.4	-28.1	0	0	0	106.4	L183 P187	L183-P185 VanDerWaalsContact O-CD 3.3Å; L183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-P187 VanDerWaalsContact O-N 3.12Å
186	D	54.4	Low	53.8	Low	143 Å²	143	115.7 Å²	115.7	77%	0.765	60%	0.6	S	S	*	*			trans	-45.2	125	168.4	-92.1	-32.6	0	0	0	108	E184 P188	E184-D186 PolarHBondContact O-N 3.28Å; D186-P188 VanDerWaalsContact O-N 3.15Å
187	P	55.9	Low	53.3	Low	90 Å²	90	118.1 Å²	118.1	58%	0.584	61%	0.614	S	S	*	*			trans	-53.3	129.7	176.3	21.6	-31.2	0	0	0	106.9	P185 A189	P185-P187 VanDerWaalsContact O-N 3.12Å; P187-A189 PolarHBondContact O-N 3.43Å
188	P	53.5	Low	53.2	Low	101 Å²	101	118.6 Å²	118.6	66%	0.656	61%	0.608	S	S	*	*			trans	-51.1	120.1	-170.9	19.3	-31.8	0	0	0	108.5	D186 K190 L191	D186-P188 VanDerWaalsContact O-N 3.15Å; P188-K190 PolarHBondContact O-N 3.27Å; P188-L191 PolarHBondContact O-N 3.29Å
189	A	48.5	Very low	52.9	Low	72 Å²	72	122.6 Å²	122.6	60%	0.595	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-57.6	3.6	179.7	0	0	0	0	0	113.9	P187 L191 R192 L193	P187-A189 PolarHBondContact O-N 3.43Å; A189-L191 PolarHBondContact O-N 3.38Å; A189-R192 PolarHBondContact O-N 3.31Å; A189-L193 PolarHBondContact O-N 3.16Å
190	K	48.1	Very low	52.5	Low	178 Å²	178	126.4 Å²	126.4	77%	0.774	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-66.8	-3.5	171.4	-65	-165.6	174.8	-174.2	0	114.9	P188	P188-K190 PolarHBondContact O-N 3.27Å
191	L	49.7	Very low	52.3	Low	149 Å²	149	125.2 Å²	125.2	78%	0.78	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-105.5	-4.7	165	-73.7	167.7	0	0	0	113.8	P188 A189	P188-L191 PolarHBondContact O-N 3.29Å; A189-L191 PolarHBondContact O-N 3.38Å
192	R	50.2	Low	51.8	Low	181 Å²	181	126.7 Å²	126.7	68%	0.683	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-21.9	171.1	-81.2	-173.7	164.5	106.7	-2.5	112.7	A189 R195 L196	A189-R192 PolarHBondContact O-N 3.31Å; R192-R195 PolarHBondContact O-N 3.31Å; R192-L196 PolarHBondContact O-N 3.08Å
193	L	48.6	Very low	51	Low	113 Å²	113	126 Å²	126	59%	0.592	65%	0.648	S	S	*	*	H	α-helix	trans	-73.9	-24.7	178.8	-146	71.7	0	0	0	113.5	A189 R195 N197	A189-L193 PolarHBondContact O-N 3.16Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 3.2Å; L193-N197 WeakPolarHBondContact O-CB 3.37Å; L193-N197 PolarHBondContact O-N 2.96Å; L193-N197 VanDerWaalsContact O-N 3.16Å
194	D	49.9	Very low	50.5	Low	114 Å²	114	128.5 Å²	128.5	61%	0.61	67%	0.666	S	S	*	*	H	α-helix	trans	-75.7	-18.1	174.4	-75.5	-34.3	0	0	0	113.5	R198	D194-R198 WeakPolarHBondContact O-CB 3.19Å
195	R	50.1	Low	49.2	Very low	184 Å²	184	129.1 Å²	129.1	69%	0.694	68%	0.675	S	S	*	*	H	α-helix	trans	-90.2	-33.3	176.8	-151.2	169.9	-178	149.2	-0	112	R192 L193 E199	R192-R195 PolarHBondContact O-N 3.31Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 3.2Å; R195-E199 WeakPolarHBondContact O-CG 3.47Å; R195-E199 PolarHBondContact O-N 3.1Å
196	L	52	Low	48	Very low	98 Å²	98	133.6 Å²	133.6	51%	0.513	69%	0.685	S	S	.	*	H	α-helix	trans	-75.9	-35.2	176.1	-63.5	171.7	0	0	0	112.4	R192 R198 E199 D200	R192-L196 PolarHBondContact O-N 3.08Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 PolarHBondContact O-N 2.98Å; L196-E199 PolarHBondContact O-N 3.11Å; L196-D200 PolarHBondContact O-N 3.21Å
197	N	48.4	Very low	47.2	Very low	115 Å²	115	133 Å²	133	62%	0.615	68%	0.682	S	S	*	*	H	α-helix	trans	-71.6	-17.2	174.4	-98.1	0.7	0	0	0	114.5	L193 S201	L193-N197 WeakPolarHBondContact O-CB 3.37Å; L193-N197 PolarHBondContact O-N 2.96Å; L193-N197 VanDerWaalsContact O-N 3.16Å; N197-S201 PolarHBondContact O-OG 3.11Å
198	R	49.7	Very low	46.3	Very low	203 Å²	203	133.7 Å²	133.7	77%	0.766	69%	0.689	S	S	*	*	H	α-helix	trans	-95.9	-14.1	-179.3	-162.8	172	157.3	168	-4.2	112.8	D194 L196	D194-R198 WeakPolarHBondContact O-CB 3.19Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 PolarHBondContact O-N 2.98Å
199	E	48.7	Very low	45.5	Very low	117 Å²	117	140.5 Å²	140.5	55%	0.547	70%	0.702	S	S	.	*	H	α-helix	trans	-96.6	-21.9	176.2	-70	172.5	165.3	0	0	111.7	R195 L196	R195-E199 WeakPolarHBondContact O-CG 3.47Å; R195-E199 PolarHBondContact O-N 3.1Å; L196-E199 PolarHBondContact O-N 3.11Å
200	D	49.1	Very low	45	Very low	123 Å²	123	143.2 Å²	143.2	66%	0.658	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-9.8	174.4	-71.7	-25.8	0	0	0	114.5	L196	L196-D200 PolarHBondContact O-N 3.21Å
201	S	50.5	Low	44.5	Very low	86 Å²	86	138 Å²	138	60%	0.601	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-0.1	-179.9	22.6	0	0	0	0	114.3	N197	N197-S201 PolarHBondContact O-OG 3.11Å
202	H	46.9	Very low	44.2	Very low	176 Å²	176	140.7 Å²	140.7	82%	0.815	72%	0.719	S	S	*	*	S	Bend	trans	-120.3	6.5	-179.6	-86.9	-74.9	0	0	0	115
203	A	40.3	Very low	43.3	Very low	70 Å²	70	144 Å²	144	58%	0.579	73%	0.731	S	S	*	*	S	Bend	trans	-133.6	81	179.4	0	0	0	0	0	111
204	T	43.6	Very low	42.9	Very low	142 Å²	142	144.4 Å²	144.4	87%	0.871	74%	0.744	S	S	*	*			trans	174.1	70.6	149.8	35	0	0	0	0	109.4
205	N	34.3	Very low	42.2	Very low	166 Å²	166	142.1 Å²	142.1	89%	0.888	75%	0.746	S	S	*	*			trans	-101.2	84.3	161.4	-125	-14.5	0	0	0	106
206	F	35.5	Very low	41.8	Very low	184 Å²	184	144.2 Å²	144.2	81%	0.807	75%	0.754	S	S	*	*			trans	-173.4	140.5	156.8	-129.3	-108	0	0	0	111.2
207	D	37.6	Very low	41.3	Very low	131 Å²	131	146 Å²	146	70%	0.701	77%	0.765	S	S	*	*			trans	70.4	91	173.2	-63.7	-38	0	0	0	117.6
208	S	36.5	Very low	40.9	Very low	104 Å²	104	148.7 Å²	148.7	73%	0.727	78%	0.778	S	S	*	*				52	113.9	73.1	-62.8	0	0	0	0	115.3
209	R	38.1	Very low	40.8	Very low	244 Å²	244	147.6 Å²	147.6	92%	0.921	78%	0.781	S	S	*	*			trans	97.7	112.6	154.1	-64.8	173.6	161.5	179.6	-4.9	118.2
210	S	38.2	Very low	40.4	Very low	130 Å²	130	148.6 Å²	148.6	91%	0.909	79%	0.79	S	S	*	*				83.3	111	129	174.8	0	0	0	0	118.8
211	G	36.7	Very low	39.7	Very low	68 Å²	68	146.4 Å²	146.4	70%	0.701	80%	0.797	S	S	*	*			trans	152.7	81	154.3	0	0	0	0	0	114.3
212	K	43	Very low	39.7	Very low	206 Å²	206	146.9 Å²	146.9	90%	0.896	81%	0.806	S	S	*	*				60.8	95.3	110.9	-89.3	171.5	174.1	173.3	0	117.6
213	R	32.4	Very low	39.6	Very low	250 Å²	250	145.7 Å²	145.7	94%	0.943	81%	0.806	S	S	*	*				29.2	119.4	123.8	-65.6	-176.6	167.8	-166.7	-4.7	120
214	S	39.7	Very low	39.6	Very low	122 Å²	122	151.7 Å²	151.7	85%	0.853	82%	0.819	S	S	*	*				-161.8	130.9	120.7	68.9	0	0	0	0	107.4
215	G	34.1	Very low	39.7	Very low	65 Å²	65	149.5 Å²	149.5	67%	0.67	82%	0.816	S	S	*	*			cis	104	86.1	29.6	0	0	0	0	0	109.4
216	R	42.4	Very low	40.5	Very low	228 Å²	228	143.2 Å²	143.2	86%	0.86	79%	0.79	S	S	*	*			trans	177.7	98.8	154.5	-103.9	158.7	-148.3	-174.7	9.9	109.4
217	D	41.6	Very low	41.3	Very low	136 Å²	136	139 Å²	139	73%	0.727	78%	0.781	S	S	*	*				90.6	94.6	87.9	-67.4	-19.9	0	0	0	108.6
218	L	40.5	Very low	41.8	Very low	171 Å²	171	141 Å²	141	90%	0.895	79%	0.786	S	S	*	*				50.4	96.9	100.8	-108	80.6	0	0	0	111
219	H	46.5	Very low	42.7	Very low	180 Å²	180	143.5 Å²	143.5	83%	0.833	78%	0.784	S	S	*	*			trans	-138	130.6	147.1	-128.5	-63.1	0	0	0	110.1
220	D	41.8	Very low	43.6	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	78%	0.782	S	S	*	*			trans	-37.5	132.1	-171.5	-66	-73	0	0	0	116.4	A222	D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 3.2Å
221	G	34.4	Very low	44.4	Very low	78 Å²	78	140.4 Å²	140.4	80%	0.804	77%	0.774	S	S	*	*			trans	-64.4	94.3	154.3	0	0	0	0	0	108.7	N223	G221-N223 VanDerWaalsContact C-N 3.31Å; G221-N223 PolarHBondContact O-N 2.92Å
222	A	49	Very low	45.6	Very low	96 Å²	96	143 Å²	143	79%	0.793	78%	0.776	S	S	*	*			trans	-68.1	96	164.3	0	0	0	0	0	107.6	D220 F224	D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 3.2Å; A222-F224 PolarHBondContact O-N 3.17Å
223	N	46.3	Very low	46.5	Very low	151 Å²	151	138.2 Å²	138.2	81%	0.807	76%	0.764	S	S	*	*			trans	-49.3	133.6	164.1	-93.1	-11.7	0	0	0	109.1	G221 A225	G221-N223 VanDerWaalsContact C-N 3.31Å; G221-N223 PolarHBondContact O-N 2.92Å; N223-A225 PolarHBondContact O-N 3.14Å
224	F	39.6	Very low	47.7	Very low	196 Å²	196	133.8 Å²	133.8	86%	0.86	76%	0.757	S	S	*	*			trans	-37.2	105.3	172.1	-173.5	-104.8	0	0	0	111.8	A222 G226	A222-F224 PolarHBondContact O-N 3.17Å; F224-G226 PolarHBondContact O-N 3.04Å
225	A	45	Very low	48.6	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	74%	0.739	S	S	*	*			trans	-82	84.7	175.8	0	0	0	0	0	109.1	N223	N223-A225 PolarHBondContact O-N 3.14Å
226	G	52.4	Low	49.5	Very low	33 Å²	33	135 Å²	135	34%	0.34	75%	0.747	S	S	.	*	S	Bend	trans	-67.6	163.8	141.6	0	0	0	0	0	108.9	F224 Q228	F224-G226 PolarHBondContact O-N 3.04Å; G226-Q228 PolarHBondContact O-N 3.06Å
227	P	51.3	Low	49.6	Very low	97 Å²	97	131.5 Å²	131.5	63%	0.63	75%	0.745	S	S	*	*			trans	-62.3	97.9	-175.6	25.4	-31.3	0	0	0	110.1	F229	P227-F229 HydrophobicContact CB-CD2 3.9Å; P227-F229 HydrophobicContact CB-CE2 4.01Å; P227-F229 PolarHBondContact O-N 2.99Å
228	Q	48.2	Very low	49.8	Very low	172 Å²	172	130.5 Å²	130.5	80%	0.804	74%	0.744	S	S	*	*			trans	-91.2	81.1	170.3	-70.8	-167.7	13.2	0	0	108.2	G226	G226-Q228 PolarHBondContact O-N 3.06Å
229	F	55.5	Low	50	Low	157 Å²	157	128 Å²	128	69%	0.689	74%	0.736	S	S	*	*			trans	-106.2	128.6	170.7	-66.5	-70.8	0	0	0	110.5	P227 S231 M365	P227-F229 HydrophobicContact CB-CD2 3.9Å; P227-F229 HydrophobicContact CB-CE2 4.01Å; P227-F229 PolarHBondContact O-N 2.99Å; F229-S231 PolarHBondContact O-N 3.39Å; F229-M365 WeakPolarHBondContact CE2-O 3.48Å
230	K	57	Low	49.9	Very low	203 Å²	203	126.9 Å²	126.9	88%	0.883	73%	0.731	S	S	*	*			trans	-77.3	102.7	172.3	-69.7	176	179.6	176.8	0	107.7
231	S	56	Low	49.9	Very low	106 Å²	106	126.7 Å²	126.7	74%	0.741	73%	0.729	S	S	*	*			trans	-65.2	132.8	166.5	58.4	0	0	0	0	109.1	F229	F229-S231 PolarHBondContact O-N 3.39Å
232	V	61.6	Low	50.3	Low	122 Å²	122	133.9 Å²	133.9	74%	0.739	73%	0.732	S	S	*	*			trans	-117.7	95.2	170.9	178.2	0	0	0	0	106.2	I234	V232-I234 HydrophobicContact CG1-CD1 4.4Å; V232-I234 HydrophobicContact CG1-CG1 4.15Å
233	V	61.7	Low	50	Low	106 Å²	106	135.3 Å²	135.3	64%	0.642	73%	0.726	S	S	*	*			trans	-103	107	172.3	-177.8	0	0	0	0	107.5	A235	V233-A235 HydrophobicContact CG1-CB 3.97Å
234	I	57.2	Low	50	Low	156 Å²	156	134 Å²	134	80%	0.8	72%	0.724	S	S	*	*			trans	-96	94.7	166.9	-56.1	171.5	0	0	0	105.5	V232	V232-I234 HydrophobicContact CG1-CD1 4.4Å; V232-I234 HydrophobicContact CG1-CG1 4.15Å
235	A	59.4	Low	50.3	Low	57 Å²	57	130.4 Å²	130.4	47%	0.471	72%	0.721	S	S	.	*			trans	-139.6	131.5	172.5	0	0	0	0	0	109.5	V233 N237	V233-A235 HydrophobicContact CG1-CB 3.97Å; A235-N237 PolarHBondContact O-N 3.02Å
236	D	51.5	Low	50.7	Low	155 Å²	155	135.6 Å²	135.6	83%	0.829	73%	0.725	S	S	*	*			trans	-62.8	118.3	-172	-70	-41.7	0	0	0	112.3	T238	D236-T238 PolarHBondContact O-N 3.18Å
237	N	44.5	Very low	51.2	Low	155 Å²	155	143.3 Å²	143.3	83%	0.829	75%	0.752	S	S	*	*			trans	-72	76.1	169.6	-84.4	-17.7	0	0	0	110.4	A235	A235-N237 PolarHBondContact O-N 3.02Å
238	T	45.7	Very low	51.9	Low	115 Å²	115	143.7 Å²	143.7	71%	0.706	75%	0.748	S	S	*	*			trans	-93.5	82.8	152.2	56.9	0	0	0	0	108.2	D236 Q240	D236-T238 PolarHBondContact O-N 3.18Å; T238-Q240 PolarHBondContact O-N 2.78Å
239	V	45.8	Very low	52.3	Low	119 Å²	119	138 Å²	138	72%	0.721	73%	0.726	S	S	*	*			trans	-64.9	91.2	165.1	179.1	0	0	0	0	106.9	L241	V239-L241 PolarHBondContact O-N 3.12Å
240	Q	44.9	Very low	52.8	Low	156 Å²	156	133.6 Å²	133.6	73%	0.729	72%	0.719	S	S	*	*			trans	-71.7	106.2	160.4	-71.3	-172.1	13.8	0	0	106.6	T238 R242	T238-Q240 PolarHBondContact O-N 2.78Å; Q240-R242 PolarHBondContact O-N 3.05Å
241	L	41.7	Very low	53	Low	135 Å²	135	133.4 Å²	133.4	71%	0.707	71%	0.713	S	S	*	*			trans	-40.7	113.4	165.1	-107.1	84.7	0	0	0	109.1	V239 D243	V239-L241 PolarHBondContact O-N 3.12Å; L241-D243 WeakPolarHBondContact CD2-OD2 3.25Å
242	R	42.1	Very low	53.3	Low	229 Å²	229	134.6 Å²	134.6	86%	0.864	71%	0.708	S	S	*	*			trans	-107.4	62.4	161.5	-66.4	-175.4	-179.5	168.3	1.2	108.2	Q240	Q240-R242 PolarHBondContact O-N 3.05Å
243	D	43.5	Very low	53.3	Low	125 Å²	125	135.4 Å²	135.4	67%	0.668	70%	0.703	S	S	*	*			trans	-80.2	120.2	151.3	-68.8	-40.7	0	0	0	104.8	L241	L241-D243 WeakPolarHBondContact CD2-OD2 3.25Å
244	T	44.7	Very low	52.7	Low	125 Å²	125	135 Å²	135	77%	0.767	71%	0.705	S	S	*	*				-158.4	144.1	68.2	52.8	0	0	0	0	110.2
245	P	46.7	Very low	52.2	Low	120 Å²	120	133.2 Å²	133.2	78%	0.779	71%	0.707	S	S	*	*				-152.4	106.1	90.6	35.3	-15	0	0	0	114.2
246	K	54.4	Low	51.9	Low	205 Å²	205	136.8 Å²	136.8	89%	0.891	72%	0.723	S	S	*	*			trans	-143.4	83.4	145.6	-70.2	-172.2	-176.8	170.8	0	108.1	I248	K246-I248 PolarHBondContact O-N 3.18Å
247	E	61.1	Low	51.9	Low	194 Å²	194	136.1 Å²	136.1	91%	0.907	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-69.4	121.9	167.9	-83.7	-165.9	155.6	0	0	109.5
248	I	66	Low	51.8	Low	105 Å²	105	140.7 Å²	140.7	54%	0.538	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-77.4	118.7	167.2	-55.8	171	0	0	0	106.5	K246 M252	K246-I248 PolarHBondContact O-N 3.18Å; I248-M252 HydrophobicContact CG2-CB 4.05Å; I248-M252 HydrophobicContact CG2-CE 3.17Å; I248-M252 HydrophobicContact CG2-CG 4.49Å; I248-M252 HydrophobicContact CG2-SD 3.62Å
249	P	56.9	Low	51.8	Low	54 Å²	54	142.1 Å²	142.1	35%	0.351	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-71.8	146.5	-165.6	28.7	-35.8	0	0	0	112.6	W251 M252	P249-W251 VanDerWaalsContact CB-NE1 3.26Å; P249-W251 HydrophobicContact CG-CZ2 4Å; P249-W251 PolarHBondContact O-N 3.48Å; P249-M252 WeakPolarHBondContact O-CB 3.44Å; P249-M252 PolarHBondContact O-N 2.95Å
250	A	65.9	Low	51.6	Low	64 Å²	64	144.9 Å²	144.9	53%	0.529	74%	0.738	S	S	.	*	G	3₁₀ helix	trans	-57	-17.2	-171	0	0	0	0	0	116.1	Q253	A250-Q253 WeakPolarHBondContact O-CA 3.36Å; A250-Q253 VanDerWaalsContact O-CB 3.23Å; A250-Q253 WeakPolarHBondContact O-CB 3.39Å; A250-Q253 PolarHBondContact O-N 2.99Å
251	W	61.1	Low	51.5	Low	199 Å²	199	141.7 Å²	141.7	75%	0.754	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-82	-15	176	61.7	-90.2	0	0	0	113.6	P249	P249-W251 VanDerWaalsContact CB-NE1 3.26Å; P249-W251 HydrophobicContact CG-CZ2 4Å; P249-W251 PolarHBondContact O-N 3.48Å
252	M	62.9	Low	51.4	Low	130 Å²	130	138.8 Å²	138.8	64%	0.64	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-74	-14.7	161.4	-126.6	-178.3	73.3	0	0	111.1	I248 P249	I248-M252 HydrophobicContact CG2-CB 4.05Å; I248-M252 HydrophobicContact CG2-CE 3.17Å; I248-M252 HydrophobicContact CG2-CG 4.49Å; I248-M252 HydrophobicContact CG2-SD 3.62Å; P249-M252 WeakPolarHBondContact O-CB 3.44Å; P249-M252 PolarHBondContact O-N 2.95Å
253	Q	61.4	Low	51.4	Low	139 Å²	139	137.6 Å²	137.6	65%	0.65	74%	0.735	S	S	*	*	S	Bend	trans	-100.2	-0.3	-173.9	-52.9	176.6	-21.3	0	0	114.2	A250	A250-Q253 WeakPolarHBondContact O-CA 3.36Å; A250-Q253 VanDerWaalsContact O-CB 3.23Å; A250-Q253 WeakPolarHBondContact O-CB 3.39Å; A250-Q253 PolarHBondContact O-N 2.99Å
254	S	49.6	Very low	51.3	Low	97 Å²	97	136.8 Å²	136.8	68%	0.678	74%	0.737	S	S	*	*			trans	-163	98.6	175.3	34.4	0	0	0	0	113.8
255	S	47	Very low	50.8	Low	120 Å²	120	135.8 Å²	135.8	84%	0.839	74%	0.735	S	S	*	*			trans	-161.5	87.3	159.8	-152.9	0	0	0	0	112.2
256	T	53.2	Low	50.6	Low	132 Å²	132	137.7 Å²	137.7	81%	0.81	74%	0.737	S	S	*	*			trans	-127.9	105.4	160.1	45.5	0	0	0	0	108.2	R258	T256-R258 PolarHBondContact O-N 3.21Å
257	V	50.2	Low	49.8	Very low	141 Å²	141	132.9 Å²	132.9	86%	0.855	73%	0.729	S	S	*	*			trans	20.2	89.6	144.4	-171	0	0	0	0	114.1	N259	V257-N259 PolarHBondContact O-N 3.3Å
258	R	42.1	Very low	48.5	Very low	251 Å²	251	128.8 Å²	128.8	95%	0.947	72%	0.722	S	S	*	*			trans	-74.4	99.8	162	-96.5	179.5	169.9	159.8	-2.4	107.9	T256	T256-R258 PolarHBondContact O-N 3.21Å
259	N	46.4	Very low	47.3	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	74%	0.741	S	S	*	*			trans	-94.9	144.6	147	-149	17	0	0	0	108	V257	V257-N259 PolarHBondContact O-N 3.3Å
260	E	41.3	Very low	46.4	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	77%	0.766	S	S	*	*			trans	-69.2	173.9	-164.3	-59.5	171.9	139.8	0	0	114.2
261	A	43.7	Very low	45	Very low	88 Å²	88	141.9 Å²	141.9	73%	0.727	78%	0.779	S	S	*	*			trans	86.9	93.5	170.1	0	0	0	0	0	113.7
262	A	38.8	Very low	43.8	Very low	75 Å²	75	136.6 Å²	136.6	62%	0.62	78%	0.777	S	S	*	*				63.3	112.8	89.7	0	0	0	0	0	111.3
263	F	41.7	Very low	42.6	Very low	203 Å²	203	136.8 Å²	136.8	89%	0.89	79%	0.786	S	S	*	*				165.9	150.6	129.2	-77.9	-55.2	0	0	0	110
264	P	42	Very low	41.3	Very low	109 Å²	109	136.6 Å²	136.6	71%	0.708	80%	0.795	S	S	*	*			trans	-115.4	173.1	-139.3	34.2	-17.8	0	0	0	115
265	S	34.4	Very low	40.8	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	80%	0.8	S	S	*	*			trans	13.6	125.6	158.9	67	0	0	0	0	120.4
266	I	43.3	Very low	40.6	Very low	161 Å²	161	135.5 Å²	135.5	83%	0.826	80%	0.799	S	S	*	*			trans	-168	101.9	139.1	-93.2	145	0	0	0	105.9
267	S	37.4	Very low	40.2	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	80%	0.804	S	S	*	*				90.4	98	98.2	-56.4	0	0	0	0	114.1
268	S	33.9	Very low	40.2	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	80%	0.8	S	S	*	*			trans	20.1	114.1	132.5	174.9	0	0	0	0	118.4
269	E	40	Very low	40.5	Very low	198 Å²	198	131.3 Å²	131.3	93%	0.925	79%	0.792	S	S	*	*			trans	-140.4	120.9	135.8	-70.9	-162.6	151.8	0	0	111.3
270	K	38.4	Very low	41.2	Very low	203 Å²	203	127.5 Å²	127.5	88%	0.883	78%	0.777	S	S	*	*			trans	-65.9	135.7	169.3	-96.1	170.4	167.3	175.7	0	109.9
271	A	37.4	Very low	42.4	Very low	96 Å²	96	126.1 Å²	126.1	79%	0.793	77%	0.768	S	S	*	*			trans	-141.1	84.6	147	0	0	0	0	0	108.7	T273	A271-T273 PolarHBondContact O-N 3.4Å
272	A	34.4	Very low	43.4	Very low	88 Å²	88	126.6 Å²	126.6	73%	0.727	76%	0.764	S	S	*	*			trans	-75.6	106.4	164.4	0	0	0	0	0	107.7	T274	A272-T274 PolarHBondContact O-N 2.77Å
273	T	37.7	Very low	44.7	Very low	135 Å²	135	129.3 Å²	129.3	83%	0.828	77%	0.768	S	S	*	*			trans	-87.3	97.9	162.3	38.4	0	0	0	0	107.9	A271 A275	A271-T273 PolarHBondContact O-N 3.4Å; T273-A275 PolarHBondContact O-N 3.16Å; T273-A275 VanDerWaalsContact O-N 3.08Å
274	T	33.7	Very low	46.1	Very low	135 Å²	135	123 Å²	123	83%	0.828	74%	0.743	S	S	*	*			trans	-63.5	98.7	163	48.1	0	0	0	0	108.5	A272	A272-T274 PolarHBondContact O-N 2.77Å
275	A	39.4	Very low	47.3	Very low	95 Å²	95	122 Å²	122	79%	0.785	73%	0.731	S	S	*	*			trans	-88.8	105.4	163.1	0	0	0	0	0	107	T273 E277	T273-A275 PolarHBondContact O-N 3.16Å; T273-A275 VanDerWaalsContact O-N 3.08Å; A275-E277 PolarHBondContact O-N 2.87Å
276	A	43	Very low	49.2	Very low	99 Å²	99	121.2 Å²	121.2	82%	0.818	72%	0.722	S	S	*	*			trans	-61.7	123.5	-179.6	0	0	0	0	0	110.8	A278	A276-A278 PolarHBondContact O-N 2.89Å
277	E	44.7	Very low	50.4	Low	195 Å²	195	120.4 Å²	120.4	91%	0.911	72%	0.716	S	S	*	*			trans	-64.1	118.2	168.4	-72.9	171	143.5	0	0	109.2	A275 D279	A275-E277 PolarHBondContact O-N 2.87Å; E277-D279 PolarHBondContact O-N 2.8Å
278	A	51.7	Low	51.9	Low	93 Å²	93	121.6 Å²	121.6	77%	0.769	71%	0.708	S	S	*	*			trans	-79.1	106.2	175.2	0	0	0	0	0	109.7	A276 S280	A276-A278 PolarHBondContact O-N 2.89Å; A278-S280 PolarHBondContact O-N 3.01Å
279	D	48.2	Very low	53.3	Low	148 Å²	148	121.9 Å²	121.9	79%	0.791	70%	0.701	S	S	*	*			trans	-64.6	89.3	170.6	-169	24.7	0	0	0	110	E277	E277-D279 PolarHBondContact O-N 2.8Å
280	S	59.8	Low	54.5	Low	65 Å²	65	117.9 Å²	117.9	46%	0.455	69%	0.685	S	S	.	*			trans	-92.8	102.4	-177.4	57.7	0	0	0	0	110.9	A278	A278-S280 PolarHBondContact O-N 3.01Å
281	K	68	Low	55.8	Low	148 Å²	148	111.8 Å²	111.8	64%	0.643	67%	0.673	S	S	*	*			trans	-62.5	149.7	172.6	-69.4	169.7	-176.3	168.9	0	109.8	N283 D284	K281-N283 PolarHBondContact O-N 3.44Å; K281-D284 WeakPolarHBondContact O-CB 3.44Å; K281-D284 PolarHBondContact O-N 2.84Å
282	P	64	Low	56.8	Low	98 Å²	98	114.1 Å²	114.1	64%	0.636	67%	0.667	S	S	*	*	H	α-helix	trans	-55.2	-23.2	-175.1	20.7	-33.5	0	0	0	114.1
283	N	65.5	Low	58	Low	131 Å²	131	116.6 Å²	116.6	70%	0.701	66%	0.663	S	S	*	*	H	α-helix	trans	-76.7	-20.2	178.2	-61.2	-8.5	0	0	0	113.9	K281 M287	K281-N283 PolarHBondContact O-N 3.44Å; N283-M287 PolarHBondContact O-N 3.34Å
284	D	70.5	Confident	58.7	Low	70 Å²	70	117.7 Å²	117.7	37%	0.374	66%	0.664	S	S	.	*	H	α-helix	trans	-78	-31.5	177.9	-169.9	32	0	0	0	111.4	K281 M287 K288	K281-D284 WeakPolarHBondContact O-CB 3.44Å; K281-D284 PolarHBondContact O-N 2.84Å; D284-M287 PolarHBondContact O-N 2.88Å; D284-K288 PolarHBondContact O-N 3.3Å; D284-K288 IonicContact OD2-NZ 3.94Å
285	I	69.2	Low	59.6	Low	90 Å²	90	118.6 Å²	118.6	46%	0.462	66%	0.662	S	S	.	*	H	α-helix	trans	-66.5	-41.4	174.6	-62.8	167.5	0	0	0	110.2	M287 K288 L289	I285-M287 VanDerWaalsContact C-N 3.29Å; I285-M287 PolarHBondContact O-N 2.89Å; I285-K288 PolarHBondContact O-N 3.31Å; I285-L289 HydrophobicContact CG2-CD1 3.77Å; I285-L289 HydrophobicContact CG2-CG 4.26Å; I285-L289 WeakPolarHBondContact O-CB 3.44Å; I285-L289 VanDerWaalsContact O-CG 3.29Å; I285-L289 WeakPolarHBondContact O-CG 3.15Å; I285-L289 PolarHBondContact O-N 3.37Å
286	V	72.7	Confident	59.6	Low	85 Å²	85	118.5 Å²	118.5	52%	0.515	66%	0.656	S	S	.	*	H	α-helix	trans	-61.2	-39.5	176	-179.3	0	0	0	0	111	L289 L290	V286-L289 PolarHBondContact O-N 3.38Å; V286-L290 HydrophobicContact CG1-CD1 4.26Å; V286-L290 WeakPolarHBondContact O-CD1 3.23Å; V286-L290 PolarHBondContact O-N 2.95Å; V286-L290 VanDerWaalsContact O-N 3.14Å
287	M	68.8	Low	59.4	Low	144 Å²	144	121.8 Å²	121.8	71%	0.709	65%	0.654	S	S	*	*	H	α-helix	trans	-70	-37.5	176.9	-116.1	-165.1	169.4	0	0	113.3	N283 D284 I285	N283-M287 PolarHBondContact O-N 3.34Å; D284-M287 PolarHBondContact O-N 2.88Å; I285-M287 VanDerWaalsContact C-N 3.29Å; I285-M287 PolarHBondContact O-N 2.89Å
288	K	68.5	Low	59.2	Low	129 Å²	129	120.8 Å²	120.8	56%	0.561	65%	0.649	S	S	*	*	H	α-helix	trans	-70.4	-34.1	174.2	-91.5	172.2	178.2	156	0	112.9	D284 I285 A291 H292	D284-K288 PolarHBondContact O-N 3.3Å; D284-K288 IonicContact OD2-NZ 3.94Å; I285-K288 PolarHBondContact O-N 3.31Å; K288-A291 WeakPolarHBondContact O-CB 3.25Å; K288-A291 PolarHBondContact O-N 3.35Å; K288-H292 PolarHBondContact O-CD2 3.45Å; K288-H292 PolarHBondContact O-N 3.24Å
289	L	64.7	Low	58.6	Low	115 Å²	115	121.1 Å²	121.1	60%	0.602	65%	0.652	S	S	*	*	H	α-helix	trans	-70.3	-37.1	176.9	-73.3	170.5	0	0	0	112.2	I285 V286 A291 H292 E293	I285-L289 HydrophobicContact CG2-CD1 3.77Å; I285-L289 HydrophobicContact CG2-CG 4.26Å; I285-L289 WeakPolarHBondContact O-CB 3.44Å; I285-L289 VanDerWaalsContact O-CG 3.29Å; I285-L289 WeakPolarHBondContact O-CG 3.15Å; I285-L289 PolarHBondContact O-N 3.37Å; V286-L289 PolarHBondContact O-N 3.38Å; L289-A291 PolarHBondContact O-N 3.25Å; L289-H292 PolarHBondContact O-N 3.48Å; L289-H292 VanDerWaalsContact O-N 3.07Å; L289-E293 PolarHBondContact O-N 3.44Å
290	L	65.3	Low	57.8	Low	114 Å²	114	117.9 Å²	117.9	60%	0.597	65%	0.654	S	S	*	*	H	α-helix	trans	-59.4	-24.3	170.1	-86.6	153.9	0	0	0	113.3	V286	V286-L290 HydrophobicContact CG1-CD1 4.26Å; V286-L290 WeakPolarHBondContact O-CD1 3.23Å; V286-L290 PolarHBondContact O-N 2.95Å; V286-L290 VanDerWaalsContact O-N 3.14Å
291	A	64.3	Low	56.5	Low	75 Å²	75	121.1 Å²	121.1	62%	0.62	67%	0.671	S	S	*	*	H	α-helix	trans	-84.7	-19.3	176.8	0	0	0	0	0	113.6	K288 L289	K288-A291 WeakPolarHBondContact O-CB 3.25Å; K288-A291 PolarHBondContact O-N 3.35Å; L289-A291 PolarHBondContact O-N 3.25Å
292	H	59.6	Low	54.8	Low	144 Å²	144	119 Å²	119	67%	0.667	68%	0.681	S	S	*	*	H	α-helix	trans	-101.9	3	-178.8	-81	-82.7	0	0	0	113.8	K288 L289 N294	K288-H292 PolarHBondContact O-CD2 3.45Å; K288-H292 PolarHBondContact O-N 3.24Å; L289-H292 PolarHBondContact O-N 3.48Å; L289-H292 VanDerWaalsContact O-N 3.07Å; H292-N294 VanDerWaalsContact C-N 3.25Å; H292-N294 PolarHBondContact O-N 3.2Å
293	E	58.7	Low	53.6	Low	141 Å²	141	123.9 Å²	123.9	66%	0.659	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-9.7	178.8	-159.1	175.8	167.4	0	0	113.9	L289	L289-E293 PolarHBondContact O-N 3.44Å
294	N	52.8	Low	52.1	Low	158 Å²	158	126.6 Å²	126.6	85%	0.845	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	12.9	-175.7	-92.8	-9.4	0	0	0	115.9	H292	H292-N294 VanDerWaalsContact C-N 3.25Å; H292-N294 PolarHBondContact O-N 3.2Å
295	I	53.3	Low	50.3	Low	153 Å²	153	132.6 Å²	132.6	79%	0.785	73%	0.726	S	S	*	*			trans	-138.4	85.6	178.8	-51.6	175.5	0	0	0	109
296	S	37.7	Very low	48.9	Very low	93 Å²	93	136.7 Å²	136.7	65%	0.65	74%	0.744	S	S	*	*			trans	-95.1	163.6	169.8	-61.7	0	0	0	0	110.9
297	E	40.3	Very low	46.9	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	76%	0.761	S	S	*	*			trans	87.3	129	160.1	-56.1	172.6	-167.8	0	0	114.3
298	E	38.8	Very low	45.8	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	77%	0.765	S	S	*	*			cis	-174.2	170.6	11.3	-113.5	175.2	-168	0	0	108.1
299	A	40.7	Very low	44.7	Very low	100 Å²	100	143 Å²	143	83%	0.826	78%	0.778	S	S	*	*			trans	117.2	94.1	152	0	0	0	0	0	116.8
300	G	30.7	Very low	43.9	Very low	80 Å²	80	145.8 Å²	145.8	83%	0.825	79%	0.794	S	S	*	*			trans	-87.5	148.6	159.4	0	0	0	0	0	111.7
301	T	31.7	Very low	43.2	Very low	134 Å²	134	145.4 Å²	145.4	82%	0.822	80%	0.8	S	S	*	*			trans	-121.7	114.3	177.4	-51.8	0	0	0	0	108.9
302	A	32.4	Very low	43.2	Very low	102 Å²	102	150 Å²	150	84%	0.843	82%	0.815	S	S	*	*			trans	-81.4	140.9	174.7	0	0	0	0	0	110.8
303	K	38.9	Very low	42.9	Very low	202 Å²	202	150.4 Å²	150.4	88%	0.878	82%	0.815	S	S	*	*			trans	-110.8	139.5	170.6	-81.4	-176.7	174.4	-178.9	0	109.8
304	Q	33.7	Very low	42.9	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65	142.2	173.9	-74.7	167.3	-84.1	0	0	111.3
305	E	34.1	Very low	43.3	Very low	195 Å²	195	151 Å²	151	91%	0.911	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-100.7	129.8	163.4	-71.8	173.9	170.4	0	0	108.1
306	E	38.6	Very low	43.7	Very low	176 Å²	176	148.3 Å²	148.3	82%	0.822	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-97.5	133.5	169.8	-70.7	-178.9	159.8	0	0	107.7
307	D	32	Very low	44.7	Very low	164 Å²	164	146.9 Å²	146.9	88%	0.877	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-61.9	128.3	173.6	-71.7	-53	0	0	0	110.6
308	D	45.7	Very low	45.6	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	79%	0.794	S	S	*	*			trans	-130.3	101.1	166.7	-85.1	-38	0	0	0	110.6
309	E	43.9	Very low	46.6	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.822	78%	0.784	S	S	*	*			trans	24.8	109.4	134.6	-55.9	-174	165.1	0	0	118.9	S311	E309-S311 PolarHBondContact O-N 3.33Å; E309-S311 VanDerWaalsContact O-N 3.09Å
310	D	49.5	Very low	47.9	Very low	175 Å²	175	141.9 Å²	141.9	94%	0.936	76%	0.757	S	S	*	*			trans	27.5	71.4	138.5	-62.2	-25.3	0	0	0	116.6
311	S	50.4	Low	50	Low	106 Å²	106	142.5 Å²	142.5	74%	0.741	74%	0.744	S	S	*	*			trans	-96.2	138	159.7	-162.2	0	0	0	0	109.4	E309 F313	E309-S311 PolarHBondContact O-N 3.33Å; E309-S311 VanDerWaalsContact O-N 3.09Å; S311-F313 PolarHBondContact O-N 2.73Å
312	D	62.9	Low	52.1	Low	172 Å²	172	136.3 Å²	136.3	92%	0.92	71%	0.706	S	S	*	*			trans	-63.1	63.5	174.9	-148	11.9	0	0	0	110.2	E314	D312-E314 PolarHBondContact O-N 3.06Å
313	F	53.9	Low	54.3	Low	152 Å²	152	133.7 Å²	133.7	67%	0.667	68%	0.68	S	S	*	*			trans	-78.2	113.8	-177.1	-169	-104.9	0	0	0	108	S311 D315	S311-F313 PolarHBondContact O-N 2.73Å; F313-D315 PolarHBondContact O-N 3.49Å; F313-D315 VanDerWaalsContact O-N 3.13Å
314	E	59	Low	55.9	Low	163 Å²	163	124.3 Å²	124.3	76%	0.762	64%	0.64	S	S	*	*			trans	-61.3	114.2	159.3	-71.5	-174.5	163.3	0	0	106.6	D312 V316	D312-E314 PolarHBondContact O-N 3.06Å; E314-V316 HydrophobicContact CB-CG2 4.39Å; E314-V316 PolarHBondContact O-N 3.24Å
315	D	60.9	Low	57.7	Low	147 Å²	147	121.8 Å²	121.8	79%	0.786	63%	0.628	S	S	*	*			trans	-59.8	92.1	166.6	-80.1	-38.2	0	0	0	107.5	F313 P317	F313-D315 PolarHBondContact O-N 3.49Å; F313-D315 VanDerWaalsContact O-N 3.13Å; D315-P317 WeakPolarHBondContact O-CD 3.41Å
316	V	61.1	Low	59.5	Low	97 Å²	97	115.3 Å²	115.3	59%	0.588	61%	0.614	S	S	*	*			trans	-82.8	99.1	170	-179.2	0	0	0	0	105.4	E314 E318	E314-V316 HydrophobicContact CB-CG2 4.39Å; E314-V316 PolarHBondContact O-N 3.24Å; V316-E318 PolarHBondContact O-N 3.36Å
317	P	59.4	Low	61.1	Low	63 Å²	63	113.1 Å²	113.1	41%	0.409	60%	0.603	S	S	.	*			trans	-56.9	138.1	172.9	26	-34.3	0	0	0	107.8	D315 Q319	D315-P317 WeakPolarHBondContact O-CD 3.41Å; P317-Q319 PolarHBondContact O-N 3.26Å
318	E	60.1	Low	63.4	Low	160 Å²	160	109.6 Å²	109.6	75%	0.748	59%	0.59	S	S	*	*			trans	-55	100.3	176.7	-69.3	-171.3	165.2	0	0	109.2	V316 I320	V316-E318 PolarHBondContact O-N 3.36Å; E318-I320 VanDerWaalsContact C-N 3.27Å; E318-I320 PolarHBondContact O-N 2.99Å
319	Q	59.5	Low	64.8	Low	128 Å²	128	105 Å²	105	60%	0.598	56%	0.563	S	S	*	*			trans	-75.4	86.6	179.2	-88	178.2	-10.9	0	0	108.6	P317 T321	P317-Q319 PolarHBondContact O-N 3.26Å; Q319-T321 PolarHBondContact O-N 3.3Å
320	I	68.1	Low	66.5	Low	50 Å²	50	97.9 Å²	97.9	26%	0.256	53%	0.532	S	S	.	.			trans	-68.6	118.7	173.1	-46.8	169.7	0	0	0	107.6	E318 L331 V355 A359	E318-I320 VanDerWaalsContact C-N 3.27Å; E318-I320 PolarHBondContact O-N 2.99Å; I320-L331 WeakPolarHBondContact O-CB 3.3Å; I320-L331 PolarHBondContact O-N 3.48Å; I320-V355 HydrophobicContact CB-CG1 3.84Å; I320-V355 HydrophobicContact CD1-CG1 4.2Å; I320-V355 HydrophobicContact CG2-CB 4.22Å; I320-V355 HydrophobicContact CG2-CG1 3.31Å; I320-V355 HydrophobicContact CG2-CG2 3.87Å; I320-A359 HydrophobicContact CD1-CB 4.35Å
321	T	74.6	Confident	67.9	Low	92 Å²	92	90.4 Å²	90.4	56%	0.564	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	135.8	-179.5	51.8	0	0	0	0	110.5	Q319 K329	Q319-T321 PolarHBondContact O-N 3.3Å; T321-K329 CarbonylContact C-O 3.55Å; T321-K329 WeakPolarHBondContact CA-O 3.27Å
322	V	75.8	Confident	69.1	Low	4 Å²	4	90.9 Å²	90.9	2%	0.024	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134	176.9	179.8	0	0	0	0	108.2	K329 L334 M344 V355	V322-K329 PolarHBondContact N-O 3.5Å; V322-K329 PolarHBondContact O-N 2.94Å; V322-K329 VanDerWaalsContact O-O 3.11Å; V322-L334 HydrophobicContact CB-CD1 3.71Å; V322-L334 HydrophobicContact CG1-CD1 4Å; V322-L334 HydrophobicContact CG2-CD1 4.42Å; V322-M344 HydrophobicContact CG1-CE 3.85Å; V322-V355 HydrophobicContact CG2-CB 4.09Å; V322-V355 HydrophobicContact CG2-CG1 3.89Å; V322-V355 HydrophobicContact CG2-CG2 4.2Å
323	T	77.6	Confident	69.8	Low	48 Å²	48	86.7 Å²	86.7	29%	0.294	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.4	178.7	49.9	0	0	0	0	110.7	Q327 E348	T323-Q327 WeakPolarHBondContact CA-O 3.42Å; T323-E348 VanDerWaalsContact O-CD 3.23Å; T323-E348 WeakPolarHBondContact O-CG 3.4Å
324	V	73.8	Confident	70.8	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.024	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.8	170.3	177.1	0	0	0	0	108.2	G326 Q327 K329 L334 M344	V324-G326 PolarHBondContact O-N 2.97Å; V324-Q327 PolarHBondContact N-O 3.45Å; V324-Q327 PolarHBondContact O-N 2.93Å; V324-K329 HydrophobicContact CB-CD 4.38Å; V324-L334 HydrophobicContact CG2-CD1 3.94Å; V324-L334 HydrophobicContact CG2-CD2 3.51Å; V324-L334 HydrophobicContact CG2-CG 4.37Å; V324-M344 HydrophobicContact CB-CG 4.19Å; V324-M344 HydrophobicContact CG1-CG 3.76Å; V324-M344 HydrophobicContact CG2-CE 3.86Å; V324-M344 HydrophobicContact CG2-CG 3.76Å; V324-M344 HydrophobicContact CG2-SD 3.68Å
325	Q	70.1	Confident	71.6	Confident	135 Å²	135	76.8 Å²	76.8	63%	0.631	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	39.4	-177	-57.2	-175.9	-11.8	0	0	112.8	Q327 S343 E348	Q325-Q327 VanDerWaalsContact C-N 3.26Å; Q325-Q327 PolarHBondContact O-N 3.22Å; Q325-S343 PolarHBondContact NE2-O 2.82Å; Q325-E348 PolarHBondContact N-OE1 3.22Å; Q325-E348 PolarHBondContact N-OE2 3.01Å
326	G	73.3	Confident	72.6	Confident	60 Å²	60	73.2 Å²	73.2	62%	0.619	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	5.4	-177.9	0	0	0	0	0	116	V324 E348	V324-G326 PolarHBondContact O-N 2.97Å; G326-E348 PolarHBondContact N-OE1 3.22Å
327	Q	72.7	Confident	73.5	Confident	129 Å²	129	72 Å²	72	60%	0.603	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.9	171.8	-69.7	-95.5	-53.9	0	0	110.2	T323 V324 Q325 K329	T323-Q327 WeakPolarHBondContact CA-O 3.42Å; V324-Q327 PolarHBondContact N-O 3.45Å; V324-Q327 PolarHBondContact O-N 2.93Å; Q325-Q327 VanDerWaalsContact C-N 3.26Å; Q325-Q327 PolarHBondContact O-N 3.22Å; Q327-K329 PolarHBondContact O-N 3.49Å
328	P	79.5	Confident	74.4	Confident	91 Å²	91	73.4 Å²	73.4	59%	0.591	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	119	174.3	29.2	-32.1	0	0	0	109.8
329	K	74.8	Confident	75.5	Confident	53 Å²	53	71.1 Å²	71.1	23%	0.23	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.3	175	-66.4	-171.3	178.1	179.4	0	110.4	T321 V322 V324 Q327 L334 L340	T321-K329 CarbonylContact C-O 3.55Å; T321-K329 WeakPolarHBondContact CA-O 3.27Å; V322-K329 PolarHBondContact N-O 3.5Å; V322-K329 PolarHBondContact O-N 2.94Å; V322-K329 VanDerWaalsContact O-O 3.11Å; V324-K329 HydrophobicContact CB-CD 4.38Å; Q327-K329 PolarHBondContact O-N 3.49Å; K329-L334 HydrophobicContact CB-CD2 4.22Å; K329-L334 HydrophobicContact CB-CG 4.38Å; K329-L334 HydrophobicContact CD-CD2 4.29Å; K329-L340 HydrophobicContact CD-CD2 3.57Å
330	S	80.4	Confident	76.5	Confident	27 Å²	27	66.6 Å²	66.6	19%	0.189	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	150	178.9	65.6	0	0	0	0	111.2	E332 E333 L334	S330-E332 VanDerWaalsContact C-N 3.26Å; S330-E332 PolarHBondContact O-N 3.25Å; S330-E333 PolarHBondContact O-N 3.39Å; S330-E333 WeakPolarHBondContact OG-CB 3.34Å; S330-E333 PolarHBondContact OG-N 3.27Å; S330-L334 PolarHBondContact O-N 3.47Å
331	L	77.2	Confident	77	Confident	18 Å²	18	65.4 Å²	65.4	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-40.6	177.4	-175	62.1	0	0	0	112.6	I320 E333 L334 M335 Y352 V355 T356 A359	I320-L331 WeakPolarHBondContact O-CB 3.3Å; I320-L331 PolarHBondContact O-N 3.48Å; L331-E333 VanDerWaalsContact C-N 3.35Å; L331-E333 PolarHBondContact O-N 3.05Å; L331-L334 PolarHBondContact O-N 3.33Å; L331-M335 HydrophobicContact CG-SD 4.2Å; L331-M335 WeakPolarHBondContact O-CG 3.18Å; L331-M335 PolarHBondContact O-N 2.93Å; L331-Y352 HydrophobicContact CD1-CD2 4.12Å; L331-Y352 HydrophobicContact CD1-CE2 3.87Å; L331-V355 HydrophobicContact CD1-CG1 3.91Å; L331-V355 HydrophobicContact CD2-CG1 3.89Å; L331-V355 HydrophobicContact CG-CG1 4.38Å; L331-T356 HydrophobicContact CD1-CG2 3.61Å; L331-A359 HydrophobicContact CD2-CB 3.56Å
332	E	76.4	Confident	77.3	Confident	116 Å²	116	67.9 Å²	67.9	54%	0.542	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-41.2	178.4	-65.6	178.1	173.9	0	0	112.3	S330 L334 M335 A336	S330-E332 VanDerWaalsContact C-N 3.26Å; S330-E332 PolarHBondContact O-N 3.25Å; E332-L334 VanDerWaalsContact C-N 3.33Å; E332-L334 PolarHBondContact O-N 3.49Å; E332-M335 PolarHBondContact O-N 2.97Å; E332-A336 WeakPolarHBondContact O-CB 3.38Å; E332-A336 PolarHBondContact O-N 3.03Å
333	E	77.4	Confident	77.5	Confident	84 Å²	84	70 Å²	70	39%	0.393	40%	0.401	S	S	.	.	H	α-helix	trans	-68	-35.4	178.8	-168.1	-173.9	164.4	0	0	111.6	S330 L331 N337	S330-E333 PolarHBondContact O-N 3.39Å; S330-E333 WeakPolarHBondContact OG-CB 3.34Å; S330-E333 PolarHBondContact OG-N 3.27Å; L331-E333 VanDerWaalsContact C-N 3.35Å; L331-E333 PolarHBondContact O-N 3.05Å; E333-N337 WeakPolarHBondContact O-CB 3.47Å; E333-N337 PolarHBondContact O-N 2.86Å; E333-N337 PolarHBondContact O-ND2 3.35Å
334	L	75.2	Confident	77.4	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-71.5	-36.4	175.4	-63.3	-179.7	0	0	0	112.5	V322 V324 K329 S330 L331 E332 N337 L340 V341 Y352	V322-L334 HydrophobicContact CB-CD1 3.71Å; V322-L334 HydrophobicContact CG1-CD1 4Å; V322-L334 HydrophobicContact CG2-CD1 4.42Å; V324-L334 HydrophobicContact CG2-CD1 3.94Å; V324-L334 HydrophobicContact CG2-CD2 3.51Å; V324-L334 HydrophobicContact CG2-CG 4.37Å; K329-L334 HydrophobicContact CB-CD2 4.22Å; K329-L334 HydrophobicContact CB-CG 4.38Å; K329-L334 HydrophobicContact CD-CD2 4.29Å; S330-L334 PolarHBondContact O-N 3.47Å; L331-L334 PolarHBondContact O-N 3.33Å; E332-L334 VanDerWaalsContact C-N 3.33Å; E332-L334 PolarHBondContact O-N 3.49Å; L334-N337 CarbonylContact O-C 3.57Å; L334-L340 HydrophobicContact CD2-CB 3.88Å; L334-L340 HydrophobicContact CD2-CD2 3.98Å; L334-V341 HydrophobicContact CB-CG2 4.33Å; L334-V341 WeakPolarHBondContact O-CG2 3.49Å; L334-Y352 HydrophobicContact CB-CD2 4.4Å; L334-Y352 HydrophobicContact CB-CE2 3.85Å; L334-Y352 HydrophobicContact CD1-CD2 3.91Å; L334-Y352 HydrophobicContact CD1-CE2 4.21Å
335	M	76.2	Confident	78	Confident	105 Å²	105	72.2 Å²	72.2	52%	0.517	41%	0.414	S	S	.	.	H	α-helix	trans	-68.6	-36.8	173.8	-71.2	179.7	66.5	0	0	112	L331 E332 F360	L331-M335 HydrophobicContact CG-SD 4.2Å; L331-M335 WeakPolarHBondContact O-CG 3.18Å; L331-M335 PolarHBondContact O-N 2.93Å; E332-M335 PolarHBondContact O-N 2.97Å; M335-F360 HydrophobicContact CE-CE2 4.47Å; M335-F360 HydrophobicContact CE-CZ 4.43Å
336	A	80.9	Confident	78.7	Confident	72 Å²	72	73.4 Å²	73.4	60%	0.595	42%	0.419	S	S	*	.	H	α-helix	trans	-70.6	-33	177	0	0	0	0	0	112.8	E332 P338	E332-A336 WeakPolarHBondContact O-CB 3.38Å; E332-A336 PolarHBondContact O-N 3.03Å; A336-P338 WeakPolarHBondContact O-CD 3.28Å
337	N	80.7	Confident	79.2	Confident	73 Å²	73	77.6 Å²	77.6	39%	0.39	42%	0.423	S	S	.	.			trans	-117.4	91.4	-174.1	-66	-44.5	0	0	0	112.9	E333 L334 V339 L340	E333-N337 WeakPolarHBondContact O-CB 3.47Å; E333-N337 PolarHBondContact O-N 2.86Å; E333-N337 PolarHBondContact O-ND2 3.35Å; L334-N337 CarbonylContact O-C 3.57Å; N337-V339 PolarHBondContact O-N 2.75Å; N337-L340 HydrophobicContact CB-CD1 3.95Å; N337-L340 PolarHBondContact O-N 2.76Å; N337-L340 VanDerWaalsContact O-N 3.14Å
338	P	79.4	Confident	79.8	Confident	91 Å²	91	72.4 Å²	72.4	59%	0.591	40%	0.398	S	S	*	.	H	α-helix	trans	-64.3	-17.7	-177.2	25.4	-34.8	0	0	0	114.1	A336	A336-P338 WeakPolarHBondContact O-CD 3.28Å
339	V	82.7	Confident	80	Confident	113 Å²	113	73.7 Å²	73.7	69%	0.685	40%	0.395	S	S	*	.	H	α-helix	trans	-68.9	-35.9	178	-179.1	0	0	0	0	111.7	N337 N342	N337-V339 PolarHBondContact O-N 2.75Å; V339-N342 PolarHBondContact O-N 2.7Å
340	L	79.6	Confident	80.6	Confident	32 Å²	32	77.5 Å²	77.5	17%	0.168	41%	0.413	C	S	.	.	H	α-helix	trans	-67.3	-39.9	-179.1	-86.8	62.4	0	0	0	111	K329 L334 N337 N342 S343	K329-L340 HydrophobicContact CD-CD2 3.57Å; L334-L340 HydrophobicContact CD2-CB 3.88Å; L334-L340 HydrophobicContact CD2-CD2 3.98Å; N337-L340 HydrophobicContact CB-CD1 3.95Å; N337-L340 PolarHBondContact O-N 2.76Å; N337-L340 VanDerWaalsContact O-N 3.14Å; L340-N342 PolarHBondContact O-N 3.29Å; L340-S343 PolarHBondContact O-N 2.96Å; L340-S343 PolarHBondContact O-OG 2.92Å
341	V	78.1	Confident	80.8	Confident	25 Å²	25	83.3 Å²	83.3	15%	0.152	43%	0.431	C	S	.	.	H	α-helix	trans	-60.8	-34.1	179	-177.5	0	0	0	0	111.9	L334 S343 Y352	L334-V341 HydrophobicContact CB-CG2 4.33Å; L334-V341 WeakPolarHBondContact O-CG2 3.49Å; V341-S343 VanDerWaalsContact C-N 3.27Å; V341-S343 PolarHBondContact O-N 3.13Å; V341-Y352 HydrophobicContact CG1-CD1 4.22Å; V341-Y352 HydrophobicContact CG1-CE1 3.93Å; V341-Y352 HydrophobicContact CG2-CE1 4.37Å; V341-Y352 HydrophobicContact CG2-CE2 4.44Å
342	N	80.6	Confident	81.3	Confident	144 Å²	144	84.3 Å²	84.3	77%	0.77	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.1	178.4	-70.7	-18.8	0	0	0	113.9	V339 L340	V339-N342 PolarHBondContact O-N 2.7Å; L340-N342 PolarHBondContact O-N 3.29Å
343	S	81.6	Confident	81.8	Confident	49 Å²	49	81.6 Å²	81.6	34%	0.343	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.5	-177.5	69.7	0	0	0	0	114.4	Q325 L340 V341	Q325-S343 PolarHBondContact NE2-O 2.82Å; L340-S343 PolarHBondContact O-N 2.96Å; L340-S343 PolarHBondContact O-OG 2.92Å; V341-S343 VanDerWaalsContact C-N 3.27Å; V341-S343 PolarHBondContact O-N 3.13Å
344	M	75.3	Confident	82.3	Confident	23 Å²	23	82.3 Å²	82.3	11%	0.113	43%	0.429	C	S	.	.	S	Bend	trans	-80.2	152.7	-177.5	-65.5	176.5	69.8	0	0	112.2	V322 V324 E348	V322-M344 HydrophobicContact CG1-CE 3.85Å; V324-M344 HydrophobicContact CB-CG 4.19Å; V324-M344 HydrophobicContact CG1-CG 3.76Å; V324-M344 HydrophobicContact CG2-CE 3.86Å; V324-M344 HydrophobicContact CG2-CG 3.76Å; V324-M344 HydrophobicContact CG2-SD 3.68Å; M344-E348 HydrophobicContact CB-CB 4.13Å; M344-E348 VanDerWaalsContact CE-C 3.44Å; M344-E348 HydrophobicContact CE-CB 3.59Å; M344-E348 WeakPolarHBondContact CE-O 3.37Å
345	T	86.9	Confident	82.8	Confident	76 Å²	76	83.2 Å²	83.2	47%	0.466	43%	0.434	S	S	.	.			trans	-71	163.2	168	65.9	0	0	0	0	110.8	E347 E348 K349	T345-E347 VanDerWaalsContact C-N 3.32Å; T345-E347 PolarHBondContact O-N 3.09Å; T345-E348 PolarHBondContact N-OE2 2.9Å; T345-E348 PolarHBondContact O-N 3.41Å; T345-E348 WeakPolarHBondContact OG1-CB 3.39Å; T345-E348 VanDerWaalsContact OG1-CG 3.22Å; T345-E348 WeakPolarHBondContact OG1-CG 3.46Å; T345-E348 PolarHBondContact OG1-N 3.36Å; T345-K349 WeakPolarHBondContact O-CB 3.46Å; T345-K349 PolarHBondContact O-N 3.26Å
346	E	84.3	Confident	83.2	Confident	160 Å²	160	79 Å²	79	75%	0.748	41%	0.414	S	S	*	.	H	α-helix	trans	-60.5	-41.2	-179.5	-168	165.6	-163.3	0	0	112	K349 E350	E346-K349 WeakPolarHBondContact O-CB 3.37Å; E346-K349 PolarHBondContact O-N 3.37Å; E346-E350 PolarHBondContact O-N 3.02Å
347	E	84.1	Confident	83.5	Confident	148 Å²	148	80.8 Å²	80.8	69%	0.692	41%	0.41	S	S	*	.	H	α-helix	trans	-64.4	-41.1	175.1	-62.1	179.6	179.8	0	0	112.9	T345 K349 E350 R351	T345-E347 VanDerWaalsContact C-N 3.32Å; T345-E347 PolarHBondContact O-N 3.09Å; E347-K349 VanDerWaalsContact C-N 3.3Å; E347-K349 PolarHBondContact O-N 3.32Å; E347-E350 PolarHBondContact O-N 3.01Å; E347-R351 PolarHBondContact O-N 2.91Å
348	E	84.6	Confident	83.7	Confident	20 Å²	20	81.3 Å²	81.3	9%	0.093	41%	0.41	C	S	.	.	H	α-helix	trans	-65.7	-37.1	176.2	-74.3	179.1	160	0	0	110.7	T323 Q325 G326 M344 T345 R351 Y352	T323-E348 VanDerWaalsContact O-CD 3.23Å; T323-E348 WeakPolarHBondContact O-CG 3.4Å; Q325-E348 PolarHBondContact N-OE1 3.22Å; Q325-E348 PolarHBondContact N-OE2 3.01Å; G326-E348 PolarHBondContact N-OE1 3.22Å; M344-E348 HydrophobicContact CB-CB 4.13Å; M344-E348 VanDerWaalsContact CE-C 3.44Å; M344-E348 HydrophobicContact CE-CB 3.59Å; M344-E348 WeakPolarHBondContact CE-O 3.37Å; T345-E348 PolarHBondContact N-OE2 2.9Å; T345-E348 PolarHBondContact O-N 3.41Å; T345-E348 WeakPolarHBondContact OG1-CB 3.39Å; T345-E348 VanDerWaalsContact OG1-CG 3.22Å; T345-E348 WeakPolarHBondContact OG1-CG 3.46Å; T345-E348 PolarHBondContact OG1-N 3.36Å; E348-R351 PolarHBondContact O-N 2.88Å; E348-Y352 PolarHBondContact O-N 3.25Å
349	K	84.7	Confident	83.9	Confident	118 Å²	118	77.4 Å²	77.4	51%	0.513	39%	0.386	S	S	.	.	H	α-helix	trans	-67.4	-38.7	178.5	-172.8	-179.4	178.1	-175.9	0	112.2	T345 E346 E347 Y352 V353	T345-K349 WeakPolarHBondContact O-CB 3.46Å; T345-K349 PolarHBondContact O-N 3.26Å; E346-K349 WeakPolarHBondContact O-CB 3.37Å; E346-K349 PolarHBondContact O-N 3.37Å; E347-K349 VanDerWaalsContact C-N 3.3Å; E347-K349 PolarHBondContact O-N 3.32Å; K349-Y352 WeakPolarHBondContact O-CB 3.42Å; K349-Y352 PolarHBondContact O-N 3.34Å; K349-V353 WeakPolarHBondContact O-CG2 3.02Å; K349-V353 PolarHBondContact O-N 3.22Å
350	E	86.9	Confident	83.9	Confident	133 Å²	133	77.1 Å²	77.1	62%	0.621	38%	0.376	S	S	*	.	H	α-helix	trans	-62.4	-43.4	174	-72.4	-177.4	170.3	0	0	111.7	E346 E347 Y352 V353 Q354	E346-E350 PolarHBondContact O-N 3.02Å; E347-E350 PolarHBondContact O-N 3.01Å; E350-Y352 PolarHBondContact O-N 3.31Å; E350-V353 PolarHBondContact O-N 3.2Å; E350-Q354 PolarHBondContact O-N 3.14Å
351	R	84.8	Confident	84.1	Confident	148 Å²	148	81.6 Å²	81.6	56%	0.558	40%	0.395	S	S	*	.	H	α-helix	trans	-62.4	-41.8	173.9	-72.4	-167.8	-175.3	143.4	5.7	112.5	E347 E348 V353 Q354 V355	E347-R351 PolarHBondContact O-N 2.91Å; E348-R351 PolarHBondContact O-N 2.88Å; R351-V353 VanDerWaalsContact C-N 3.32Å; R351-V353 PolarHBondContact O-N 3.33Å; R351-Q354 PolarHBondContact O-N 3.5Å; R351-V355 WeakPolarHBondContact O-CB 3.2Å; R351-V355 WeakPolarHBondContact O-CG2 3.48Å; R351-V355 PolarHBondContact O-N 3.34Å
352	Y	86	Confident	84.1	Confident	39 Å²	39	85.2 Å²	85.2	15%	0.153	41%	0.41	C	S	.	.	H	α-helix	trans	-57.8	-44.2	173.5	172.8	-105.5	0	0	0	111.9	L331 L334 V341 E348 K349 E350 V355 T356	L331-Y352 HydrophobicContact CD1-CD2 4.12Å; L331-Y352 HydrophobicContact CD1-CE2 3.87Å; L334-Y352 HydrophobicContact CB-CD2 4.4Å; L334-Y352 HydrophobicContact CB-CE2 3.85Å; L334-Y352 HydrophobicContact CD1-CD2 3.91Å; L334-Y352 HydrophobicContact CD1-CE2 4.21Å; V341-Y352 HydrophobicContact CG1-CD1 4.22Å; V341-Y352 HydrophobicContact CG1-CE1 3.93Å; V341-Y352 HydrophobicContact CG2-CE1 4.37Å; V341-Y352 HydrophobicContact CG2-CE2 4.44Å; E348-Y352 PolarHBondContact O-N 3.25Å; K349-Y352 WeakPolarHBondContact O-CB 3.42Å; K349-Y352 PolarHBondContact O-N 3.34Å; E350-Y352 PolarHBondContact O-N 3.31Å; Y352-V355 PolarHBondContact O-N 2.88Å; Y352-T356 HydrophobicContact CD1-CG2 4.41Å; Y352-T356 HydrophobicContact CD2-CG2 4.03Å; Y352-T356 HydrophobicContact CE1-CG2 4.01Å; Y352-T356 HydrophobicContact CE2-CG2 3.59Å; Y352-T356 HydrophobicContact CG-CG2 4.41Å; Y352-T356 WeakPolarHBondContact O-CB 3.44Å; Y352-T356 VanDerWaalsContact O-CG2 3.28Å; Y352-T356 WeakPolarHBondContact O-CG2 3.4Å; Y352-T356 PolarHBondContact O-N 3.39Å; Y352-T356 PolarHBondContact O-OG1 2.9Å
353	V	87.6	Confident	83.8	Confident	60 Å²	60	85 Å²	85	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-64.8	-41.9	177.7	173.1	0	0	0	0	111.5	K349 E350 R351 T356 Q357	K349-V353 WeakPolarHBondContact O-CG2 3.02Å; K349-V353 PolarHBondContact O-N 3.22Å; E350-V353 PolarHBondContact O-N 3.2Å; R351-V353 VanDerWaalsContact C-N 3.32Å; R351-V353 PolarHBondContact O-N 3.33Å; V353-T356 VanDerWaalsContact CA-OG1 3.3Å; V353-T356 WeakPolarHBondContact CA-OG1 3.44Å; V353-T356 PolarHBondContact O-OG1 3.21Å; V353-Q357 VanDerWaalsContact CG1-NE2 3.33Å; V353-Q357 WeakPolarHBondContact O-CB 3.22Å; V353-Q357 VanDerWaalsContact O-CG 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.4Å; V353-Q357 PolarHBondContact O-N 3.43Å
354	Q	87.4	Confident	83.2	Confident	99 Å²	99	91 Å²	91	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-46.3	177.8	-172.2	177.4	24.4	0	0	111.9	E350 R351 Q357 Q358	E350-Q354 PolarHBondContact O-N 3.14Å; R351-Q354 PolarHBondContact O-N 3.5Å; Q354-Q357 PolarHBondContact O-N 3.04Å; Q354-Q358 WeakPolarHBondContact O-CG 3.43Å; Q354-Q358 PolarHBondContact O-N 3.39Å
355	V	86.3	Confident	82.6	Confident	19 Å²	19	96.1 Å²	96.1	12%	0.115	45%	0.445	C	S	.	.	H	α-helix	trans	-65.3	-44.3	178.9	163.1	0	0	0	0	111.7	I320 V322 L331 R351 Y352 Q357 Q358 A359	I320-V355 HydrophobicContact CB-CG1 3.84Å; I320-V355 HydrophobicContact CD1-CG1 4.2Å; I320-V355 HydrophobicContact CG2-CB 4.22Å; I320-V355 HydrophobicContact CG2-CG1 3.31Å; I320-V355 HydrophobicContact CG2-CG2 3.87Å; V322-V355 HydrophobicContact CG2-CB 4.09Å; V322-V355 HydrophobicContact CG2-CG1 3.89Å; V322-V355 HydrophobicContact CG2-CG2 4.2Å; L331-V355 HydrophobicContact CD1-CG1 3.91Å; L331-V355 HydrophobicContact CD2-CG1 3.89Å; L331-V355 HydrophobicContact CG-CG1 4.38Å; R351-V355 WeakPolarHBondContact O-CB 3.2Å; R351-V355 WeakPolarHBondContact O-CG2 3.48Å; R351-V355 PolarHBondContact O-N 3.34Å; Y352-V355 PolarHBondContact O-N 2.88Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.43Å; V355-Q358 PolarHBondContact O-N 2.86Å; V355-A359 WeakPolarHBondContact O-CB 3.29Å; V355-A359 PolarHBondContact O-N 3.3Å
356	T	85.5	Confident	80.7	Confident	17 Å²	17	99 Å²	99	10%	0.104	46%	0.457	C	S	.	.	H	α-helix	trans	-60.3	-43.1	175.3	46.8	0	0	0	0	110.9	L331 Y352 V353 Q358 A359 F360	L331-T356 HydrophobicContact CD1-CG2 3.61Å; Y352-T356 HydrophobicContact CD1-CG2 4.41Å; Y352-T356 HydrophobicContact CD2-CG2 4.03Å; Y352-T356 HydrophobicContact CE1-CG2 4.01Å; Y352-T356 HydrophobicContact CE2-CG2 3.59Å; Y352-T356 HydrophobicContact CG-CG2 4.41Å; Y352-T356 WeakPolarHBondContact O-CB 3.44Å; Y352-T356 VanDerWaalsContact O-CG2 3.28Å; Y352-T356 WeakPolarHBondContact O-CG2 3.4Å; Y352-T356 PolarHBondContact O-N 3.39Å; Y352-T356 PolarHBondContact O-OG1 2.9Å; V353-T356 VanDerWaalsContact CA-OG1 3.3Å; V353-T356 WeakPolarHBondContact CA-OG1 3.44Å; V353-T356 PolarHBondContact O-OG1 3.21Å; T356-Q358 PolarHBondContact O-N 2.98Å; T356-A359 PolarHBondContact O-N 3.32Å; T356-F360 WeakPolarHBondContact O-CB 3.47Å; T356-F360 VanDerWaalsContact O-CD2 3.25Å; T356-F360 WeakPolarHBondContact O-CD2 3.4Å; T356-F360 PolarHBondContact O-N 3.26Å
357	Q	86.5	Confident	80.5	Confident	110 Å²	110	96 Å²	96	51%	0.514	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-41.8	176.2	-74.4	175.2	16.6	0	0	112.5	V353 Q354 V355 F360 Q361	V353-Q357 VanDerWaalsContact CG1-NE2 3.33Å; V353-Q357 WeakPolarHBondContact O-CB 3.22Å; V353-Q357 VanDerWaalsContact O-CG 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.4Å; V353-Q357 PolarHBondContact O-N 3.43Å; Q354-Q357 PolarHBondContact O-N 3.04Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.43Å; Q357-F360 PolarHBondContact O-N 3.07Å; Q357-Q361 WeakPolarHBondContact O-CB 3.32Å; Q357-Q361 VanDerWaalsContact O-CG 3.25Å; Q357-Q361 WeakPolarHBondContact O-CG 3.4Å; Q357-Q361 PolarHBondContact O-N 2.99Å
358	Q	85.1	Confident	80.4	Confident	84 Å²	84	93.3 Å²	93.3	39%	0.393	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-45.7	174.7	-73.3	174.3	-10.9	0	0	111.7	Q354 V355 T356 Q361 H362	Q354-Q358 WeakPolarHBondContact O-CG 3.43Å; Q354-Q358 PolarHBondContact O-N 3.39Å; V355-Q358 PolarHBondContact O-N 2.86Å; T356-Q358 PolarHBondContact O-N 2.98Å; Q358-Q361 PolarHBondContact O-N 3.39Å; Q358-H362 PolarHBondContact O-N 3.36Å
359	A	83.2	Confident	80.1	Confident	9 Å²	9	97.3 Å²	97.3	7%	0.074	45%	0.449	C	S	.	.	H	α-helix	trans	-63.2	-45.2	177	0	0	0	0	0	112	I320 L331 V355 T356 Q361 H362 F363	I320-A359 HydrophobicContact CD1-CB 4.35Å; L331-A359 HydrophobicContact CD2-CB 3.56Å; V355-A359 WeakPolarHBondContact O-CB 3.29Å; V355-A359 PolarHBondContact O-N 3.3Å; T356-A359 PolarHBondContact O-N 3.32Å; A359-Q361 VanDerWaalsContact C-N 3.3Å; A359-Q361 PolarHBondContact O-N 3.35Å; A359-H362 PolarHBondContact O-N 3.08Å; A359-F363 HydrophobicContact CB-CD2 4.39Å; A359-F363 WeakPolarHBondContact O-CD2 3.43Å; A359-F363 PolarHBondContact O-N 3.05Å
360	F	83.2	Confident	79.8	Confident	107 Å²	107	96.1 Å²	96.1	47%	0.469	45%	0.445	S	S	.	.	H	α-helix	trans	-62.8	-35.8	176.2	-91.5	-77.1	0	0	0	112.7	M335 T356 Q357 Y364	M335-F360 HydrophobicContact CE-CE2 4.47Å; M335-F360 HydrophobicContact CE-CZ 4.43Å; T356-F360 WeakPolarHBondContact O-CB 3.47Å; T356-F360 VanDerWaalsContact O-CD2 3.25Å; T356-F360 WeakPolarHBondContact O-CD2 3.4Å; T356-F360 PolarHBondContact O-N 3.26Å; Q357-F360 PolarHBondContact O-N 3.07Å; F360-Y364 AromaticContact CD1-CD2 3.57Å; F360-Y364 HydrophobicContact CD1-CD2 3.57Å; F360-Y364 AromaticContact CD1-CE2 3.55Å; F360-Y364 HydrophobicContact CD1-CE2 3.55Å; F360-Y364 HydrophobicContact CE1-CD2 4.12Å; F360-Y364 AromaticContact CE1-CE2 3.61Å; F360-Y364 HydrophobicContact CE1-CE2 3.61Å; F360-Y364 PolarHBondContact O-N 2.91Å
361	Q	83.3	Confident	79.4	Confident	125 Å²	125	93.8 Å²	93.8	58%	0.584	43%	0.434	S	S	*	.	H	α-helix	trans	-65.4	-43.8	174.1	-77.2	174.3	9	0	0	111	Q357 Q358 A359 M365	Q357-Q361 WeakPolarHBondContact O-CB 3.32Å; Q357-Q361 VanDerWaalsContact O-CG 3.25Å; Q357-Q361 WeakPolarHBondContact O-CG 3.4Å; Q357-Q361 PolarHBondContact O-N 2.99Å; Q358-Q361 PolarHBondContact O-N 3.39Å; A359-Q361 VanDerWaalsContact C-N 3.3Å; A359-Q361 PolarHBondContact O-N 3.35Å; Q361-M365 WeakPolarHBondContact O-CA 3.23Å; Q361-M365 WeakPolarHBondContact O-CB 3.35Å; Q361-M365 PolarHBondContact O-N 3.46Å; Q361-M365 VanDerWaalsContact O-N 3.11Å
362	H	79.1	Confident	79	Confident	101 Å²	101	90.2 Å²	90.2	47%	0.468	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-59.8	174.8	-164.7	-56.3	0	0	0	110.5	Q358 A359 Y364 D366	Q358-H362 PolarHBondContact O-N 3.36Å; A359-H362 PolarHBondContact O-N 3.08Å; H362-Y364 PolarHBondContact O-N 2.94Å; H362-D366 IonicContact CE1-OD2 3.16Å; H362-D366 PolarHBondContact CE1-OD2 3.21Å; H362-D366 IonicContact CG-OD2 3.77Å; H362-D366 IonicContact ND1-OD2 2.77Å; H362-D366 PolarHBondContact ND1-OD2 3.25Å; H362-D366 VanDerWaalsContact O-CB 3.27Å; H362-D366 WeakPolarHBondContact O-CB 3.4Å; H362-D366 PolarHBondContact O-N 3.37Å
363	F	73.1	Confident	78.5	Confident	141 Å²	141	93.9 Å²	93.9	62%	0.618	45%	0.445	S	S	*	.	H	α-helix	trans	-66.7	-25.7	-170.9	-76.9	-69.8	0	0	0	117	A359	A359-F363 HydrophobicContact CB-CD2 4.39Å; A359-F363 WeakPolarHBondContact O-CD2 3.43Å; A359-F363 PolarHBondContact O-N 3.05Å
364	Y	69.9	Low	77.9	Confident	173 Å²	173	96.5 Å²	96.5	68%	0.678	45%	0.451	S	S	*	.	H	α-helix	trans	-119.5	-9.3	-174.3	-67.6	-88.4	0	0	0	114.4	F360 H362	F360-Y364 AromaticContact CD1-CD2 3.57Å; F360-Y364 HydrophobicContact CD1-CD2 3.57Å; F360-Y364 AromaticContact CD1-CE2 3.55Å; F360-Y364 HydrophobicContact CD1-CE2 3.55Å; F360-Y364 HydrophobicContact CE1-CD2 4.12Å; F360-Y364 AromaticContact CE1-CE2 3.61Å; F360-Y364 HydrophobicContact CE1-CE2 3.61Å; F360-Y364 PolarHBondContact O-N 2.91Å; H362-Y364 PolarHBondContact O-N 2.94Å
365	M	62.4	Low	77.1	Confident	132 Å²	132	96.3 Å²	96.3	65%	0.65	45%	0.45	S	S	*	.	H	α-helix	trans	-108.4	-4.4	172.4	-54.2	-81.4	174.8	0	0	112.9	F229 Q361	F229-M365 WeakPolarHBondContact CE2-O 3.48Å; Q361-M365 WeakPolarHBondContact O-CA 3.23Å; Q361-M365 WeakPolarHBondContact O-CB 3.35Å; Q361-M365 PolarHBondContact O-N 3.46Å; Q361-M365 VanDerWaalsContact O-N 3.11Å
366	D	47.1	Very low	76.2	Confident	137 Å²	137	103.3 Å²	103.3	73%	0.733	48%	0.481	S	S	*	.			trans	-63.4	0	152.2	-68.8	-22.9	0	0	0	110.7	H362	H362-D366 IonicContact CE1-OD2 3.16Å; H362-D366 PolarHBondContact CE1-OD2 3.21Å; H362-D366 IonicContact CG-OD2 3.77Å; H362-D366 IonicContact ND1-OD2 2.77Å; H362-D366 PolarHBondContact ND1-OD2 3.25Å; H362-D366 VanDerWaalsContact O-CB 3.27Å; H362-D366 WeakPolarHBondContact O-CB 3.4Å; H362-D366 PolarHBondContact O-N 3.37Å

Retrieved 366 of 366 residues in 206 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).