A0A3Q0KB92_SCHMA Loading...

26S proteasome non-ATPase regulatory subunit 2

Binds to the intracellular domain of tumor necrosis factor type 1 receptor. The binding domain of TRAP1 and TRAP2 resides outside the death domain of TNFR1. Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A3Q0KB92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 734 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.5	Low	65.9	Low	46 Å²	46	64.5 Å²	64.5	23%	0.227	32%	0.324	C	S	.	.				0	-92.6	0	-65.7	-39.2	-166.4	0	0	114.7	C3 A4 L5 I13 I16 F17 L38	M1-C3 VanDerWaalsContact C-N 3.25Å; M1-C3 CarbonylContact O-C 3.6Å; M1-C3 PolarHBondContact O-N 3.49Å; M1-A4 WeakPolarHBondContact O-CA 3.22Å; M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 3.18Å; M1-L5 HydrophobicContact CB-CD1 4.28Å; M1-L5 WeakPolarHBondContact O-CG 3.46Å; M1-L5 PolarHBondContact O-N 3.03Å; M1-I13 HydrophobicContact CE-CG2 4.1Å; M1-I13 WeakPolarHBondContact CE-O 3.04Å; M1-I13 HydrophobicContact SD-CG2 4.4Å; M1-I16 HydrophobicContact CE-CB 3.74Å; M1-I16 HydrophobicContact CE-CG2 3.77Å; M1-I16 HydrophobicContact CG-CG2 3.78Å; M1-I16 HydrophobicContact SD-CB 3.95Å; M1-I16 HydrophobicContact SD-CD1 4.43Å; M1-I16 HydrophobicContact SD-CG2 3.84Å; M1-F17 HydrophobicContact CE-CB 4.05Å; M1-L38 HydrophobicContact CE-CD1 3.81Å; M1-L38 HydrophobicContact CE-CD2 3.51Å; M1-L38 HydrophobicContact CE-CG 4.1Å; M1-L38 HydrophobicContact CG-CD1 3.72Å; M1-L38 HydrophobicContact CG-CD2 4.38Å; M1-L38 HydrophobicContact SD-CD1 4.3Å
2	R	63.7	Low	66.6	Low	62 Å²	62	64.4 Å²	64.4	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-45.4	-43.5	-170.4	-79.2	-167.1	177.2	169.3	6.1	115.3	R6 S605 F608 L609 P716	R2-R6 WeakPolarHBondContact O-CB 3.47Å; R2-R6 PolarHBondContact O-N 3.02Å; R2-S605 PolarHBondContact NH2-OG 2.96Å; R2-F608 HydrophobicContact CB-CD1 4.05Å; R2-F608 HydrophobicContact CB-CE1 3.97Å; R2-L609 HydrophobicContact CG-CD1 4.14Å; R2-P716 VanDerWaalsContact NH2-CD 3.34Å
3	C	63.7	Low	67.1	Low	84 Å²	84	59.5 Å²	59.5	57%	0.568	30%	0.3	S	S	*	.	H	α-helix	trans	-70.3	-41.4	175.7	-50.4	0	0	0	0	113.6	M1 R6 L7	M1-C3 VanDerWaalsContact C-N 3.25Å; M1-C3 CarbonylContact O-C 3.6Å; M1-C3 PolarHBondContact O-N 3.49Å; C3-R6 CarbonylContact O-C 3.56Å; C3-R6 PolarHBondContact O-N 3.03Å; C3-L7 VanDerWaalsContact O-CG 3.28Å; C3-L7 WeakPolarHBondContact O-CG 3.5Å; C3-L7 PolarHBondContact O-N 3.2Å
4	A	65.3	Low	67.4	Low	6 Å²	6	60.4 Å²	60.4	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-40	176	0	0	0	0	0	112.2	M1 R6 L7 N8 D9 L12 I13 I16	M1-A4 WeakPolarHBondContact O-CA 3.22Å; M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 3.18Å; A4-R6 VanDerWaalsContact C-N 3.33Å; A4-L7 CarbonylContact O-C 3.53Å; A4-L7 PolarHBondContact O-N 2.71Å; A4-N8 PolarHBondContact O-N 2.76Å; A4-D9 PolarHBondContact O-N 2.9Å; A4-L12 HydrophobicContact CB-CB 4.02Å; A4-I13 HydrophobicContact CB-CG1 4.14Å; A4-I16 HydrophobicContact CB-CD1 4.22Å
5	L	68.8	Low	68.1	Low	10 Å²	10	64.7 Å²	64.7	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-35.6	173.4	-61.7	163.6	0	0	0	111.6	M1 N8 I13 L42 I47 L609	M1-L5 HydrophobicContact CB-CD1 4.28Å; M1-L5 WeakPolarHBondContact O-CG 3.46Å; M1-L5 PolarHBondContact O-N 3.03Å; L5-N8 PolarHBondContact O-N 3.21Å; L5-I13 HydrophobicContact CD2-CD1 3.72Å; L5-I13 HydrophobicContact CD2-CG1 3.93Å; L5-I13 HydrophobicContact CD2-CG2 4.42Å; L5-I13 HydrophobicContact CG-CG1 4.45Å; L5-L42 HydrophobicContact CD2-CD2 3.81Å; L5-I47 HydrophobicContact CD2-CD1 3.67Å; L5-L609 HydrophobicContact CB-CD2 3.8Å; L5-L609 HydrophobicContact CD1-CD1 4.25Å; L5-L609 HydrophobicContact CD1-CD2 4.42Å
6	R	65.7	Low	68.6	Low	136 Å²	136	64.3 Å²	64.3	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-71.5	-27.4	172.5	-176.2	173.8	-180	178.2	3	113.3	R2 C3 A4 N8	R2-R6 WeakPolarHBondContact O-CB 3.47Å; R2-R6 PolarHBondContact O-N 3.02Å; C3-R6 CarbonylContact O-C 3.56Å; C3-R6 PolarHBondContact O-N 3.03Å; A4-R6 VanDerWaalsContact C-N 3.33Å; R6-N8 VanDerWaalsContact C-N 3.32Å
7	L	64.4	Low	68.8	Low	120 Å²	120	61.1 Å²	61.1	63%	0.628	30%	0.3	S	S	*	.	H	α-helix	trans	-83.2	-9.3	173	-68.6	165.9	0	0	0	112.7	C3 A4 D9	C3-L7 VanDerWaalsContact O-CG 3.28Å; C3-L7 WeakPolarHBondContact O-CG 3.5Å; C3-L7 PolarHBondContact O-N 3.2Å; A4-L7 CarbonylContact O-C 3.53Å; A4-L7 PolarHBondContact O-N 2.71Å; L7-D9 HydrophobicContact CB-CB 4.49Å; L7-D9 PolarHBondContact O-N 2.75Å
8	N	66.3	Low	69	Low	24 Å²	24	61.1 Å²	61.1	13%	0.128	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	33.5	-175	-150.2	40.1	0	0	0	114.6	A4 L5 R6 G274	A4-N8 PolarHBondContact O-N 2.76Å; L5-N8 PolarHBondContact O-N 3.21Å; R6-N8 VanDerWaalsContact C-N 3.32Å; N8-G274 VanDerWaalsContact ND2-C 3.27Å; N8-G274 PolarHBondContact ND2-O 3.15Å
9	D	68.5	Low	69.2	Low	59 Å²	59	64.9 Å²	64.9	32%	0.316	32%	0.318	S	S	.	.			trans	-90.5	105	-179.5	-177.1	-26.2	0	0	0	110	A4 L7 D11 L12 I13	A4-D9 PolarHBondContact O-N 2.9Å; L7-D9 HydrophobicContact CB-CB 4.49Å; L7-D9 PolarHBondContact O-N 2.75Å; D9-D11 VanDerWaalsContact C-N 3.28Å; D9-D11 PolarHBondContact O-N 2.73Å; D9-D11 PolarHBondContact OD1-N 3.26Å; D9-L12 HydrophobicContact CB-CB 4.12Å; D9-L12 HydrophobicContact CB-CD1 4.13Å; D9-L12 HydrophobicContact CB-CG 4.32Å; D9-L12 PolarHBondContact O-N 3.15Å; D9-L12 PolarHBondContact OD1-N 3.23Å; D9-L12 VanDerWaalsContact OD2-CD1 3.25Å; D9-L12 WeakPolarHBondContact OD2-CD1 3.48Å; D9-L12 WeakPolarHBondContact OD2-CG 3.22Å; D9-I13 VanDerWaalsContact O-CD1 3.25Å; D9-I13 WeakPolarHBondContact O-CD1 3.47Å; D9-I13 WeakPolarHBondContact O-CG1 3.46Å; D9-I13 PolarHBondContact O-N 2.76Å
10	M	68.2	Low	69	Low	50 Å²	50	62.8 Å²	62.8	25%	0.246	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-31.1	-177.1	-63.4	-68.5	-91.7	0	0	112.6	R14 I47	M10-R14 VanDerWaalsContact O-CB 3.28Å; M10-R14 WeakPolarHBondContact O-CB 3.5Å; M10-R14 PolarHBondContact O-N 2.88Å; M10-I47 HydrophobicContact CE-CG2 4.01Å; M10-I47 HydrophobicContact SD-CG2 3.72Å
11	D	70.8	Confident	68.5	Low	112 Å²	112	61 Å²	61	60%	0.599	31%	0.307	S	S	*	.	H	α-helix	trans	-76.6	-43.6	-179.6	-73.9	-37.2	0	0	0	110.7	D9 I13 R14 E15	D9-D11 VanDerWaalsContact C-N 3.28Å; D9-D11 PolarHBondContact O-N 2.73Å; D9-D11 PolarHBondContact OD1-N 3.26Å; D11-I13 VanDerWaalsContact C-N 3.27Å; D11-I13 PolarHBondContact O-N 3.18Å; D11-R14 WeakPolarHBondContact O-CB 3.44Å; D11-R14 PolarHBondContact O-N 3.29Å; D11-R14 VanDerWaalsContact O-N 3.12Å; D11-E15 WeakPolarHBondContact O-CG 3.43Å; D11-E15 PolarHBondContact O-N 3.07Å
12	L	73.6	Confident	68.4	Low	64 Å²	64	65.4 Å²	65.4	34%	0.335	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-32.7	171.6	-72.2	177.5	0	0	0	112.5	A4 D9 I16	A4-L12 HydrophobicContact CB-CB 4.02Å; D9-L12 HydrophobicContact CB-CB 4.12Å; D9-L12 HydrophobicContact CB-CD1 4.13Å; D9-L12 HydrophobicContact CB-CG 4.32Å; D9-L12 PolarHBondContact O-N 3.15Å; D9-L12 PolarHBondContact OD1-N 3.23Å; D9-L12 VanDerWaalsContact OD2-CD1 3.25Å; D9-L12 WeakPolarHBondContact OD2-CD1 3.48Å; D9-L12 WeakPolarHBondContact OD2-CG 3.22Å; L12-I16 WeakPolarHBondContact O-CB 3.13Å; L12-I16 VanDerWaalsContact O-CD1 3.31Å; L12-I16 WeakPolarHBondContact O-CD1 2.58Å; L12-I16 WeakPolarHBondContact O-CG1 3.19Å; L12-I16 PolarHBondContact O-N 3.3Å
13	I	73.2	Confident	67.8	Low	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-67.9	-44.9	171.7	-64	158.6	0	0	0	109.8	M1 A4 L5 D9 D11 I16 F17 L42 I47 F49	M1-I13 HydrophobicContact CE-CG2 4.1Å; M1-I13 WeakPolarHBondContact CE-O 3.04Å; M1-I13 HydrophobicContact SD-CG2 4.4Å; A4-I13 HydrophobicContact CB-CG1 4.14Å; L5-I13 HydrophobicContact CD2-CD1 3.72Å; L5-I13 HydrophobicContact CD2-CG1 3.93Å; L5-I13 HydrophobicContact CD2-CG2 4.42Å; L5-I13 HydrophobicContact CG-CG1 4.45Å; D9-I13 VanDerWaalsContact O-CD1 3.25Å; D9-I13 WeakPolarHBondContact O-CD1 3.47Å; D9-I13 WeakPolarHBondContact O-CG1 3.46Å; D9-I13 PolarHBondContact O-N 2.76Å; D11-I13 VanDerWaalsContact C-N 3.27Å; D11-I13 PolarHBondContact O-N 3.18Å; I13-I16 PolarHBondContact O-N 3.12Å; I13-F17 VanDerWaalsContact O-CB 3.29Å; I13-F17 WeakPolarHBondContact O-CB 3.48Å; I13-F17 PolarHBondContact O-N 3.19Å; I13-L42 HydrophobicContact CG2-CD2 3.74Å; I13-I47 HydrophobicContact CD1-CD1 4.38Å; I13-F49 HydrophobicContact CG2-CE1 3.87Å; I13-F49 HydrophobicContact CG2-CZ 3.93Å
14	R	71.4	Confident	66.8	Low	73 Å²	73	71.5 Å²	71.5	28%	0.275	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-47	177.6	-175.8	-176.2	-174.7	158.3	8.1	112.2	M10 D11 F17 L18 F49 D51	M10-R14 VanDerWaalsContact O-CB 3.28Å; M10-R14 WeakPolarHBondContact O-CB 3.5Å; M10-R14 PolarHBondContact O-N 2.88Å; D11-R14 WeakPolarHBondContact O-CB 3.44Å; D11-R14 PolarHBondContact O-N 3.29Å; D11-R14 VanDerWaalsContact O-N 3.12Å; R14-F17 PolarHBondContact O-N 3.25Å; R14-L18 HydrophobicContact CG-CD1 4.01Å; R14-L18 WeakPolarHBondContact O-CB 3.35Å; R14-L18 VanDerWaalsContact O-CG 3.32Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.5Å; R14-F49 HydrophobicContact CB-CD1 4.3Å; R14-F49 HydrophobicContact CB-CE1 4.02Å; R14-D51 IonicContact CZ-OD2 2.86Å; R14-D51 IonicContact NH1-OD1 2.89Å; R14-D51 IonicContact NH1-OD2 2.85Å; R14-D51 PolarHBondContact NH1-OD2 3.08Å; R14-D51 IonicContact NH2-OD2 3.33Å; R14-D51 PolarHBondContact NH2-OD2 3.34Å
15	E	77.8	Confident	65.3	Low	125 Å²	125	81.3 Å²	81.3	58%	0.584	39%	0.393	S	S	*	.	H	α-helix	trans	-58.8	-51.7	177.9	-75	-164.4	146.7	0	0	111.3	D11 F17 L18 E19	D11-E15 WeakPolarHBondContact O-CG 3.43Å; D11-E15 PolarHBondContact O-N 3.07Å; E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.73Å; E15-L18 CarbonylContact O-C 3.58Å; E15-L18 PolarHBondContact O-N 3.37Å; E15-E19 WeakPolarHBondContact O-CG 3.39Å; E15-E19 PolarHBondContact O-N 2.64Å
16	I	77.2	Confident	64	Low	58 Å²	58	85.1 Å²	85.1	30%	0.297	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-31.4	-177.6	-60.1	167	0	0	0	111.3	M1 A4 L12 I13 S20	M1-I16 HydrophobicContact CE-CB 3.74Å; M1-I16 HydrophobicContact CE-CG2 3.77Å; M1-I16 HydrophobicContact CG-CG2 3.78Å; M1-I16 HydrophobicContact SD-CB 3.95Å; M1-I16 HydrophobicContact SD-CD1 4.43Å; M1-I16 HydrophobicContact SD-CG2 3.84Å; A4-I16 HydrophobicContact CB-CD1 4.22Å; L12-I16 WeakPolarHBondContact O-CB 3.13Å; L12-I16 VanDerWaalsContact O-CD1 3.31Å; L12-I16 WeakPolarHBondContact O-CD1 2.58Å; L12-I16 WeakPolarHBondContact O-CG1 3.19Å; L12-I16 PolarHBondContact O-N 3.3Å; I13-I16 PolarHBondContact O-N 3.12Å; I16-S20 PolarHBondContact O-N 3.13Å
17	F	71.6	Confident	62.9	Low	9 Å²	9	82 Å²	82	4%	0.039	43%	0.434	C	S	.	.	H	α-helix	trans	-66	-48.2	172.3	-177.2	-100	0	0	0	111.3	M1 I13 R14 E15 E19 S20 G21 Q35 L38 L42 F49 L55	M1-F17 HydrophobicContact CE-CB 4.05Å; I13-F17 VanDerWaalsContact O-CB 3.29Å; I13-F17 WeakPolarHBondContact O-CB 3.48Å; I13-F17 PolarHBondContact O-N 3.19Å; R14-F17 PolarHBondContact O-N 3.25Å; E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.73Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 2.78Å; F17-S20 WeakPolarHBondContact O-CB 3.35Å; F17-S20 PolarHBondContact O-N 2.43Å; F17-S20 VanDerWaalsContact O-N 3.09Å; F17-S20 PolarHBondContact O-OG 2.57Å; F17-G21 PolarHBondContact O-N 2.83Å; F17-Q35 HydrophobicContact CD2-CG 4.45Å; F17-Q35 HydrophobicContact CE2-CG 3.82Å; F17-Q35 HydrophobicContact CZ-CG 3.88Å; F17-L38 HydrophobicContact CB-CD2 4.37Å; F17-L38 HydrophobicContact CD2-CD2 3.7Å; F17-L38 HydrophobicContact CD2-CG 3.96Å; F17-L38 HydrophobicContact CG-CD2 4.49Å; F17-L42 HydrophobicContact CD2-CD1 3.83Å; F17-L42 HydrophobicContact CE2-CD1 4.22Å; F17-F49 HydrophobicContact CB-CE2 4.38Å; F17-F49 HydrophobicContact CB-CZ 3.85Å; F17-F49 AromaticContact CD1-CE2 3.82Å; F17-F49 HydrophobicContact CD1-CE2 3.82Å; F17-F49 HydrophobicContact CD1-CZ 4.1Å; F17-F49 HydrophobicContact CD2-CE2 4.19Å; F17-F49 HydrophobicContact CD2-CZ 4.35Å; F17-F49 HydrophobicContact CE1-CE2 4.07Å; F17-F49 HydrophobicContact CE2-CE2 4.44Å; F17-F49 AromaticContact CG-CE2 3.88Å; F17-F49 HydrophobicContact CG-CE2 3.88Å; F17-F49 AromaticContact CG-CZ 3.86Å; F17-F49 HydrophobicContact CG-CZ 3.86Å; F17-F49 HydrophobicContact CZ-CE2 4.38Å; F17-L55 HydrophobicContact CE1-CD1 4.38Å; F17-L55 HydrophobicContact CE1-CD2 3.82Å; F17-L55 HydrophobicContact CE1-CG 4.37Å; F17-L55 HydrophobicContact CZ-CD1 4.48Å; F17-L55 HydrophobicContact CZ-CD2 3.98Å
18	L	72.9	Confident	61.8	Low	61 Å²	61	84 Å²	84	32%	0.319	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-33.2	175.6	-68.6	172.7	0	0	0	112.8	R14 E15 S20 K22	R14-L18 HydrophobicContact CG-CD1 4.01Å; R14-L18 WeakPolarHBondContact O-CB 3.35Å; R14-L18 VanDerWaalsContact O-CG 3.32Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.5Å; E15-L18 CarbonylContact O-C 3.58Å; E15-L18 PolarHBondContact O-N 3.37Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-K22 WeakPolarHBondContact O-CD 3.49Å; L18-K22 VanDerWaalsContact O-CG 3.22Å; L18-K22 WeakPolarHBondContact O-CG 3.14Å; L18-K22 PolarHBondContact O-N 3.48Å; L18-K22 VanDerWaalsContact O-N 3.14Å
19	E	72.4	Confident	61	Low	135 Å²	135	89.1 Å²	89.1	63%	0.631	46%	0.46	S	S	*	.	H	α-helix	trans	-66.5	-32.8	170.8	-74.4	-151.8	137.6	0	0	112.8	E15 F17 K22	E15-E19 WeakPolarHBondContact O-CG 3.39Å; E15-E19 PolarHBondContact O-N 2.64Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 2.78Å; E19-K22 PolarHBondContact O-N 2.72Å
20	S	64.1	Low	60.4	Low	22 Å²	22	91 Å²	91	15%	0.154	46%	0.464	C	S	.	.	H	α-helix	trans	-67.1	-35.8	176.9	78.8	0	0	0	0	112.8	I16 F17 L18 G31	I16-S20 PolarHBondContact O-N 3.13Å; F17-S20 WeakPolarHBondContact O-CB 3.35Å; F17-S20 PolarHBondContact O-N 2.43Å; F17-S20 VanDerWaalsContact O-N 3.09Å; F17-S20 PolarHBondContact O-OG 2.57Å; L18-S20 VanDerWaalsContact C-N 3.33Å; S20-G31 WeakPolarHBondContact O-CA 3.22Å
21	G	59.1	Low	60.1	Low	24 Å²	24	89.3 Å²	89.3	25%	0.247	46%	0.459	C	S	.	.	H	α-helix	trans	-76.9	-25.8	173.4	0	0	0	0	0	114.3	F17 V23	F17-G21 PolarHBondContact O-N 2.83Å; G21-V23 PolarHBondContact O-N 3.35Å
22	K	57.6	Low	60	Low	139 Å²	139	87 Å²	87	60%	0.604	45%	0.449	S	S	*	.	S	Bend	trans	-69.8	93.6	179	-79	165.5	-170.1	167.2	0	111.6	L18 E19 K24	L18-K22 WeakPolarHBondContact O-CD 3.49Å; L18-K22 VanDerWaalsContact O-CG 3.22Å; L18-K22 WeakPolarHBondContact O-CG 3.14Å; L18-K22 PolarHBondContact O-N 3.48Å; L18-K22 VanDerWaalsContact O-N 3.14Å; E19-K22 PolarHBondContact O-N 2.72Å; K22-K24 PolarHBondContact O-N 3.05Å
23	V	51.2	Low	59.7	Low	100 Å²	100	84.4 Å²	84.4	61%	0.606	44%	0.438	S	S	*	.			trans	-49.5	105.9	175.6	-179.5	0	0	0	0	111.7	G21 K25	G21-V23 PolarHBondContact O-N 3.35Å; V23-K25 PolarHBondContact O-N 2.9Å
24	K	42.9	Very low	59.7	Low	175 Å²	175	88 Å²	88	76%	0.761	46%	0.456	S	S	*	.			trans	-65.3	96.1	165.5	-75.9	-175.2	178.2	175.1	0	109	K22 G26 S27	K22-K24 PolarHBondContact O-N 3.05Å; K24-G26 PolarHBondContact O-N 3.09Å; K24-S27 PolarHBondContact O-N 2.71Å
25	K	34.1	Very low	59.7	Low	212 Å²	212	85.6 Å²	85.6	92%	0.922	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	100.3	175.1	-70.2	-179.9	177.5	178.5	0	109.8	V23	V23-K25 PolarHBondContact O-N 2.9Å
26	G	41.6	Very low	59.5	Low	90 Å²	90	82.3 Å²	82.3	93%	0.928	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.2	-10.2	-173.9	0	0	0	0	0	115.7	K24	K24-G26 PolarHBondContact O-N 3.09Å
27	S	41.6	Very low	59.3	Low	70 Å²	70	80.4 Å²	80.4	49%	0.49	42%	0.42	S	S	.	.	S	Bend	trans	-122.4	140.1	177.6	-158.8	0	0	0	0	113.1	K24 N29 Y30	K24-S27 PolarHBondContact O-N 2.71Å; S27-N29 PolarHBondContact O-N 3.02Å; S27-Y30 WeakPolarHBondContact OG-CD2 3.4Å; S27-Y30 VanDerWaalsContact OG-CE2 3.27Å; S27-Y30 WeakPolarHBondContact OG-CE2 3.41Å
28	R	42.4	Very low	59.3	Low	163 Å²	163	80.8 Å²	80.8	62%	0.615	42%	0.422	S	S	*	.			trans	-64.6	85.7	-163.9	-61.3	175.2	175.7	163.2	-5.2	115.4	Y30 R724	R28-Y30 HydrophobicContact CB-CD2 4.46Å; R28-Y30 HydrophobicContact CB-CE2 3.78Å; R28-Y30 WeakPolarHBondContact O-CD1 3.32Å; R28-Y30 WeakPolarHBondContact O-CD2 3.41Å; R28-Y30 PolarHBondContact O-N 3.43Å; R28-R724 PolarHBondContact O-NH1 2.8Å
29	N	48.6	Very low	59.4	Low	130 Å²	130	77.9 Å²	77.9	70%	0.695	41%	0.407	S	S	*	.	S	Bend	trans	53.6	19.9	165.6	-65.8	12.5	0	0	0	116.8	S27 G31	S27-N29 PolarHBondContact O-N 3.02Å; N29-G31 PolarHBondContact O-N 3.01Å
30	Y	55.5	Low	59.4	Low	100 Å²	100	72.1 Å²	72.1	39%	0.392	38%	0.38	S	S	.	.			trans	-74.1	-21.4	-170	-58.3	-68.3	0	0	0	115.3	S27 R28 I34	S27-Y30 WeakPolarHBondContact OG-CD2 3.4Å; S27-Y30 VanDerWaalsContact OG-CE2 3.27Å; S27-Y30 WeakPolarHBondContact OG-CE2 3.41Å; R28-Y30 HydrophobicContact CB-CD2 4.46Å; R28-Y30 HydrophobicContact CB-CE2 3.78Å; R28-Y30 WeakPolarHBondContact O-CD1 3.32Å; R28-Y30 WeakPolarHBondContact O-CD2 3.41Å; R28-Y30 PolarHBondContact O-N 3.43Å; Y30-I34 WeakPolarHBondContact O-CG1 3.49Å; Y30-I34 PolarHBondContact O-N 3.06Å
31	G	62.1	Low	59.7	Low	13 Å²	13	73.2 Å²	73.2	13%	0.134	38%	0.384	C	S	.	.	H	α-helix	trans	-52.6	-65	-171.9	0	0	0	0	0	115.7	S20 N29 A33 I34 Q35	S20-G31 WeakPolarHBondContact O-CA 3.22Å; N29-G31 PolarHBondContact O-N 3.01Å; G31-A33 VanDerWaalsContact C-N 3.3Å; G31-A33 PolarHBondContact O-N 3.37Å; G31-I34 PolarHBondContact O-N 3.16Å; G31-Q35 PolarHBondContact O-N 3.17Å
32	P	69	Low	60.3	Low	63 Å²	63	72 Å²	72	41%	0.409	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-32.8	-170.4	24.5	-34.8	0	0	0	113.1	Q35 R36	P32-Q35 PolarHBondContact O-N 3.11Å; P32-R36 WeakPolarHBondContact O-CB 3.23Å; P32-R36 VanDerWaalsContact O-CG 3.26Å; P32-R36 WeakPolarHBondContact O-CG 3.48Å; P32-R36 PolarHBondContact O-N 2.96Å
33	A	68.4	Low	60.9	Low	11 Å²	11	65.4 Å²	65.4	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-75.5	-33.1	179.7	0	0	0	0	0	112.5	G31 Q37 I712 L722	G31-A33 VanDerWaalsContact C-N 3.3Å; G31-A33 PolarHBondContact O-N 3.37Å; A33-Q37 PolarHBondContact O-N 3.08Å; A33-Q37 VanDerWaalsContact O-N 3.1Å; A33-I712 HydrophobicContact CB-CD1 3.45Å; A33-I712 VanDerWaalsContact CB-CD1 3.45Å; A33-L722 WeakPolarHBondContact O-CD1 3.4Å
34	I	72.4	Confident	61.7	Low	74 Å²	74	62.6 Å²	62.6	38%	0.379	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-43.9	167.7	-67	168.4	0	0	0	110.1	Y30 G31 Q37 L38 I712	Y30-I34 WeakPolarHBondContact O-CG1 3.49Å; Y30-I34 PolarHBondContact O-N 3.06Å; G31-I34 PolarHBondContact O-N 3.16Å; I34-Q37 PolarHBondContact O-N 3.26Å; I34-L38 VanDerWaalsContact O-CB 3.23Å; I34-L38 WeakPolarHBondContact O-CB 3.46Å; I34-L38 PolarHBondContact O-N 3Å; I34-I712 HydrophobicContact CB-CG2 4.46Å; I34-I712 HydrophobicContact CG1-CG2 3.56Å
35	Q	71.9	Confident	62.9	Low	23 Å²	23	54.9 Å²	54.9	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-41	179.6	-169	176.1	-2.3	0	0	112.3	F17 G31 P32 L38 A39 L60	F17-Q35 HydrophobicContact CD2-CG 4.45Å; F17-Q35 HydrophobicContact CE2-CG 3.82Å; F17-Q35 HydrophobicContact CZ-CG 3.88Å; G31-Q35 PolarHBondContact O-N 3.17Å; P32-Q35 PolarHBondContact O-N 3.11Å; Q35-L38 PolarHBondContact O-N 3.19Å; Q35-A39 WeakPolarHBondContact O-CB 2.99Å; Q35-A39 PolarHBondContact O-N 3.09Å; Q35-L60 HydrophobicContact CG-CD1 3.99Å; Q35-L60 HydrophobicContact CG-CD2 4.24Å
36	R	72.7	Confident	64.4	Low	56 Å²	56	46.3 Å²	46.3	21%	0.211	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-45.9	172.4	-75	167.7	164.8	-173.1	-6.5	112.5	P32 L38 A39 Y40 D59 L60 M63 E657 L722	P32-R36 WeakPolarHBondContact O-CB 3.23Å; P32-R36 VanDerWaalsContact O-CG 3.26Å; P32-R36 WeakPolarHBondContact O-CG 3.48Å; P32-R36 PolarHBondContact O-N 2.96Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 PolarHBondContact O-N 2.78Å; R36-A39 WeakPolarHBondContact O-CB 3.23Å; R36-A39 PolarHBondContact O-N 3.12Å; R36-Y40 WeakPolarHBondContact O-CD2 3.32Å; R36-Y40 PolarHBondContact O-N 2.96Å; R36-Y40 VanDerWaalsContact O-N 3.07Å; R36-D59 IonicContact CZ-OD2 2.76Å; R36-D59 IonicContact NH2-OD2 2.61Å; R36-D59 PolarHBondContact NH2-OD2 2.86Å; R36-L60 HydrophobicContact CB-CD2 4.19Å; R36-L60 HydrophobicContact CG-CD2 3.55Å; R36-M63 HydrophobicContact CB-CE 4.3Å; R36-M63 HydrophobicContact CB-SD 3.84Å; R36-M63 HydrophobicContact CG-CE 4.14Å; R36-M63 HydrophobicContact CG-SD 3.97Å; R36-E657 PolarHBondContact NH1-O 2.66Å; R36-L722 HydrophobicContact CB-CD1 3.52Å
37	Q	73	Confident	65.5	Low	19 Å²	19	42.6 Å²	42.6	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-32.4	177.2	-161.2	-180	-1.5	0	0	111.9	A33 I34 L41 T713 L722	A33-Q37 PolarHBondContact O-N 3.08Å; A33-Q37 VanDerWaalsContact O-N 3.1Å; I34-Q37 PolarHBondContact O-N 3.26Å; Q37-L41 PolarHBondContact O-N 3.22Å; Q37-L41 VanDerWaalsContact O-N 3.16Å; Q37-T713 VanDerWaalsContact CD-CG2 3.5Å; Q37-T713 HydrophobicContact CG-CG2 4.46Å; Q37-T713 PolarHBondContact NE2-OG1 2.61Å; Q37-T713 VanDerWaalsContact OE1-CG2 3.23Å; Q37-T713 PolarHBondContact OE1-OG1 3.32Å; Q37-L722 HydrophobicContact CB-CD1 4.18Å
38	L	72.1	Confident	66.4	Low	16 Å²	16	39.8 Å²	39.8	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-69.8	-37.5	173.1	179.9	57	0	0	0	112.2	M1 F17 I34 Q35 R36 L41 L42	M1-L38 HydrophobicContact CE-CD1 3.81Å; M1-L38 HydrophobicContact CE-CD2 3.51Å; M1-L38 HydrophobicContact CE-CG 4.1Å; M1-L38 HydrophobicContact CG-CD1 3.72Å; M1-L38 HydrophobicContact CG-CD2 4.38Å; M1-L38 HydrophobicContact SD-CD1 4.3Å; F17-L38 HydrophobicContact CB-CD2 4.37Å; F17-L38 HydrophobicContact CD2-CD2 3.7Å; F17-L38 HydrophobicContact CD2-CG 3.96Å; F17-L38 HydrophobicContact CG-CD2 4.49Å; I34-L38 VanDerWaalsContact O-CB 3.23Å; I34-L38 WeakPolarHBondContact O-CB 3.46Å; I34-L38 PolarHBondContact O-N 3Å; Q35-L38 PolarHBondContact O-N 3.19Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 PolarHBondContact O-N 2.78Å; L38-L41 HydrophobicContact CD1-CD2 4.45Å; L38-L41 WeakPolarHBondContact O-CB 3.33Å; L38-L41 PolarHBondContact O-N 2.97Å; L38-L41 VanDerWaalsContact O-N 3.11Å; L38-L42 HydrophobicContact CD1-CD1 4.39Å; L38-L42 HydrophobicContact CD1-CG 4.32Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.21Å; L38-L42 PolarHBondContact O-N 3.31Å
39	A	73.8	Confident	67.1	Low	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-46.2	171.8	0	0	0	0	0	111.1	Q35 R36 L41 L42 G43 L60 M63	Q35-A39 WeakPolarHBondContact O-CB 2.99Å; Q35-A39 PolarHBondContact O-N 3.09Å; R36-A39 WeakPolarHBondContact O-CB 3.23Å; R36-A39 PolarHBondContact O-N 3.12Å; A39-L41 VanDerWaalsContact C-N 3.27Å; A39-L41 PolarHBondContact O-N 3.3Å; A39-L42 PolarHBondContact O-N 2.82Å; A39-G43 PolarHBondContact O-N 3.34Å; A39-L60 HydrophobicContact CB-CD2 4.18Å; A39-M63 HydrophobicContact CB-CB 3.96Å
40	Y	73.3	Confident	67.3	Low	15 Å²	15	31.4 Å²	31.4	6%	0.059	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-32.4	172.3	-78.5	-59.6	0	0	0	113.9	R36 R44 M63 F655 F720	R36-Y40 WeakPolarHBondContact O-CD2 3.32Å; R36-Y40 PolarHBondContact O-N 2.96Å; R36-Y40 VanDerWaalsContact O-N 3.07Å; Y40-R44 PolarHBondContact O-N 3.22Å; Y40-M63 HydrophobicContact CD1-CG 4.45Å; Y40-M63 HydrophobicContact CD2-SD 3.98Å; Y40-M63 HydrophobicContact CE1-CG 4.02Å; Y40-M63 HydrophobicContact CE2-CE 3.78Å; Y40-M63 HydrophobicContact CE2-CG 4.19Å; Y40-M63 HydrophobicContact CE2-SD 3.62Å; Y40-F655 HydrophobicContact CE1-CE2 4.47Å; Y40-F655 HydrophobicContact CE2-CD2 4.15Å; Y40-F655 HydrophobicContact CE2-CE2 4.21Å; Y40-F655 AromaticContact CZ-CE2 3.8Å; Y40-F655 WeakPolarHBondContact OH-CE2 3.23Å; Y40-F720 HydrophobicContact CD1-CB 3.9Å; Y40-F720 AromaticContact CD1-CD2 3.49Å; Y40-F720 HydrophobicContact CD1-CD2 3.49Å; Y40-F720 VanDerWaalsContact CD1-CD2 3.49Å; Y40-F720 HydrophobicContact CD1-CE2 4.28Å; Y40-F720 AromaticContact CD1-CG 3.88Å; Y40-F720 HydrophobicContact CD1-CG 3.88Å; Y40-F720 HydrophobicContact CD2-CB 3.97Å; Y40-F720 HydrophobicContact CE1-CB 4.2Å; Y40-F720 AromaticContact CE1-CD2 3.83Å; Y40-F720 HydrophobicContact CE1-CD2 3.83Å; Y40-F720 HydrophobicContact CE1-CE2 4.39Å; Y40-F720 AromaticContact CE1-CG 3.98Å; Y40-F720 HydrophobicContact CE1-CG 3.98Å; Y40-F720 HydrophobicContact CE2-CB 4.26Å; Y40-F720 HydrophobicContact CG-CB 3.76Å; Y40-F720 HydrophobicContact CG-CD2 4.15Å; Y40-F720 HydrophobicContact CG-CG 4.27Å
41	L	70.7	Confident	66.8	Low	44 Å²	44	30.3 Å²	30.3	23%	0.23	16%	0.164	C	C	.	.	H	α-helix	trans	-75	-35.6	177.7	-178	61.8	0	0	0	112.5	Q37 L38 A39 Q45	Q37-L41 PolarHBondContact O-N 3.22Å; Q37-L41 VanDerWaalsContact O-N 3.16Å; L38-L41 HydrophobicContact CD1-CD2 4.45Å; L38-L41 WeakPolarHBondContact O-CB 3.33Å; L38-L41 PolarHBondContact O-N 2.97Å; L38-L41 VanDerWaalsContact O-N 3.11Å; A39-L41 VanDerWaalsContact C-N 3.27Å; A39-L41 PolarHBondContact O-N 3.3Å; L41-Q45 PolarHBondContact O-N 2.9Å; L41-Q45 PolarHBondContact O-NE2 2.86Å
42	L	71.1	Confident	66.2	Low	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.7	-43.9	174.8	-68.4	170.4	0	0	0	111.4	L5 I13 F17 L38 A39 R44 Q45 N46 I47 F49 L64	L5-L42 HydrophobicContact CD2-CD2 3.81Å; I13-L42 HydrophobicContact CG2-CD2 3.74Å; F17-L42 HydrophobicContact CD2-CD1 3.83Å; F17-L42 HydrophobicContact CE2-CD1 4.22Å; L38-L42 HydrophobicContact CD1-CD1 4.39Å; L38-L42 HydrophobicContact CD1-CG 4.32Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.21Å; L38-L42 PolarHBondContact O-N 3.31Å; A39-L42 PolarHBondContact O-N 2.82Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 3.23Å; L42-Q45 CarbonylContact O-C 3.56Å; L42-Q45 WeakPolarHBondContact O-CA 3.38Å; L42-Q45 PolarHBondContact O-N 3.05Å; L42-N46 PolarHBondContact O-N 2.88Å; L42-I47 HydrophobicContact CD2-CB 4.4Å; L42-I47 HydrophobicContact CD2-CG2 4.49Å; L42-I47 PolarHBondContact O-N 3.42Å; L42-F49 HydrophobicContact CD1-CE2 3.84Å; L42-F49 HydrophobicContact CD1-CZ 3.8Å; L42-L64 HydrophobicContact CB-CD1 3.89Å
43	G	70.8	Confident	65.1	Low	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-42.5	171.8	0	0	0	0	0	112	A39 Q45 N46 N66	A39-G43 PolarHBondContact O-N 3.34Å; G43-Q45 VanDerWaalsContact C-N 3.31Å; G43-Q45 PolarHBondContact O-N 3.45Å; G43-N46 PolarHBondContact O-N 3.21Å; G43-N46 PolarHBondContact O-OD1 3.35Å; G43-N66 VanDerWaalsContact C-OD1 3.28Å; G43-N66 PolarHBondContact O-ND2 3.07Å; G43-N66 PolarHBondContact O-OD1 3.43Å
44	R	68.4	Low	63.8	Low	40 Å²	40	45.1 Å²	45.1	15%	0.151	23%	0.23	C	C	.	.	H	α-helix	trans	-51	-53	165.6	-99.3	-168.1	105	110.8	1.3	110.4	Y40 L42 N46 H604 R611 G719	Y40-R44 PolarHBondContact O-N 3.22Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 3.23Å; R44-N46 PolarHBondContact O-N 2.67Å; R44-H604 PolarHBondContact NH2-CD2 3.44Å; R44-H604 PolarHBondContact NH2-NE2 3Å; R44-R611 VanDerWaalsContact C-NH2 3.33Å; R44-R611 PolarHBondContact O-NE 2.84Å; R44-R611 PolarHBondContact O-NH2 3.13Å; R44-G719 VanDerWaalsContact NH1-CA 3.31Å
45	Q	67.7	Low	62.8	Low	13 Å²	13	43.5 Å²	43.5	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-75.1	-1.2	-172.2	-74.2	165	75.4	0	0	114.4	L41 L42 G43 I47 L609 R611	L41-Q45 PolarHBondContact O-N 2.9Å; L41-Q45 PolarHBondContact O-NE2 2.86Å; L42-Q45 CarbonylContact O-C 3.56Å; L42-Q45 WeakPolarHBondContact O-CA 3.38Å; L42-Q45 PolarHBondContact O-N 3.05Å; G43-Q45 VanDerWaalsContact C-N 3.31Å; G43-Q45 PolarHBondContact O-N 3.45Å; Q45-I47 HydrophobicContact CB-CD1 4Å; Q45-I47 HydrophobicContact CB-CG1 4.03Å; Q45-I47 PolarHBondContact O-N 3.41Å; Q45-L609 VanDerWaalsContact OE1-CD2 3.25Å; Q45-R611 HydrophobicContact CG-CG 4.13Å
46	N	66	Low	61.9	Low	32 Å²	32	47.2 Å²	47.2	17%	0.171	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	19.1	-172.5	-68	13.1	0	0	0	113.9	L42 G43 R44 V48	L42-N46 PolarHBondContact O-N 2.88Å; G43-N46 PolarHBondContact O-N 3.21Å; G43-N46 PolarHBondContact O-OD1 3.35Å; R44-N46 PolarHBondContact O-N 2.67Å; N46-V48 PolarHBondContact O-N 2.97Å
47	I	64.9	Low	61.4	Low	13 Å²	13	48.3 Å²	48.3	7%	0.067	27%	0.267	C	S	.	.			trans	-79.8	110.2	175.8	-62.7	172.3	0	0	0	107.3	L5 M10 I13 L42 Q45	L5-I47 HydrophobicContact CD2-CD1 3.67Å; M10-I47 HydrophobicContact CE-CG2 4.01Å; M10-I47 HydrophobicContact SD-CG2 3.72Å; I13-I47 HydrophobicContact CD1-CD1 4.38Å; L42-I47 HydrophobicContact CD2-CB 4.4Å; L42-I47 HydrophobicContact CD2-CG2 4.49Å; L42-I47 PolarHBondContact O-N 3.42Å; Q45-I47 HydrophobicContact CB-CD1 4Å; Q45-I47 HydrophobicContact CB-CG1 4.03Å; Q45-I47 PolarHBondContact O-N 3.41Å
48	V	60.5	Low	61.1	Low	11 Å²	11	55.4 Å²	55.4	7%	0.067	30%	0.3	C	S	.	.			trans	-112.2	133.1	178.3	-175.5	0	0	0	0	109.4	N46 L64 K201	N46-V48 PolarHBondContact O-N 2.97Å; V48-L64 HydrophobicContact CG1-CD2 4.41Å; V48-K201 HydrophobicContact CG1-CD 4.15Å; V48-K201 HydrophobicContact CG2-CD 4.04Å
49	F	56.3	Low	61	Low	21 Å²	21	56.8 Å²	56.8	9%	0.092	31%	0.307	C	S	.	.			trans	-69.2	137.4	176.1	-61.4	-67.6	0	0	0	110.3	I13 R14 F17 L42 D51 L64	I13-F49 HydrophobicContact CG2-CE1 3.87Å; I13-F49 HydrophobicContact CG2-CZ 3.93Å; R14-F49 HydrophobicContact CB-CD1 4.3Å; R14-F49 HydrophobicContact CB-CE1 4.02Å; F17-F49 HydrophobicContact CB-CE2 4.38Å; F17-F49 HydrophobicContact CB-CZ 3.85Å; F17-F49 AromaticContact CD1-CE2 3.82Å; F17-F49 HydrophobicContact CD1-CE2 3.82Å; F17-F49 HydrophobicContact CD1-CZ 4.1Å; F17-F49 HydrophobicContact CD2-CE2 4.19Å; F17-F49 HydrophobicContact CD2-CZ 4.35Å; F17-F49 HydrophobicContact CE1-CE2 4.07Å; F17-F49 HydrophobicContact CE2-CE2 4.44Å; F17-F49 AromaticContact CG-CE2 3.88Å; F17-F49 HydrophobicContact CG-CE2 3.88Å; F17-F49 AromaticContact CG-CZ 3.86Å; F17-F49 HydrophobicContact CG-CZ 3.86Å; F17-F49 HydrophobicContact CZ-CE2 4.38Å; L42-F49 HydrophobicContact CD1-CE2 3.84Å; L42-F49 HydrophobicContact CD1-CZ 3.8Å; F49-D51 PolarHBondContact O-N 3.34Å; F49-L64 HydrophobicContact CD2-CD2 4.09Å
50	P	53.1	Low	60.7	Low	95 Å²	95	56.9 Å²	56.9	62%	0.617	31%	0.308	S	S	*	.	S	Bend	trans	-65.7	-24.9	175	-23.3	34.7	0	0	0	114.2	E52	P50-E52 PolarHBondContact O-N 3.24Å
51	D	45.5	Very low	60.6	Low	78 Å²	78	57.4 Å²	57.4	42%	0.417	31%	0.312	S	S	.	.			trans	-101.6	82.9	-170.7	-66	23.4	0	0	0	110.8	R14 F49 E53	R14-D51 IonicContact CZ-OD2 2.86Å; R14-D51 IonicContact NH1-OD1 2.89Å; R14-D51 IonicContact NH1-OD2 2.85Å; R14-D51 PolarHBondContact NH1-OD2 3.08Å; R14-D51 IonicContact NH2-OD2 3.33Å; R14-D51 PolarHBondContact NH2-OD2 3.34Å; F49-D51 PolarHBondContact O-N 3.34Å; D51-E53 VanDerWaalsContact C-N 3.26Å; D51-E53 PolarHBondContact O-N 2.81Å
52	E	47.5	Very low	60.5	Low	120 Å²	120	58.5 Å²	58.5	56%	0.561	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-65.1	-27	-176.3	-62.8	177.2	151	0	0	112.8	P50 C54	P50-E52 PolarHBondContact O-N 3.24Å; E52-C54 PolarHBondContact O-N 3.03Å
53	E	45.9	Very low	60.4	Low	198 Å²	198	58.8 Å²	58.8	93%	0.925	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-67.1	-6.3	-173.6	-55.7	-172.6	157.2	0	0	115.8	D51	D51-E53 VanDerWaalsContact C-N 3.26Å; D51-E53 PolarHBondContact O-N 2.81Å
54	C	42.2	Very low	60.4	Low	79 Å²	79	59.2 Å²	59.2	53%	0.534	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-96.5	-1.6	-175.3	-74.2	0	0	0	0	115.1	E52	E52-C54 PolarHBondContact O-N 3.03Å
55	L	51.5	Low	60.5	Low	40 Å²	40	58.7 Å²	58.7	21%	0.209	32%	0.318	C	S	.	.			trans	-108.2	105.2	-177.8	-85.6	169.6	0	0	0	111.7	F17 L60 L64	F17-L55 HydrophobicContact CE1-CD1 4.38Å; F17-L55 HydrophobicContact CE1-CD2 3.82Å; F17-L55 HydrophobicContact CE1-CG 4.37Å; F17-L55 HydrophobicContact CZ-CD1 4.48Å; F17-L55 HydrophobicContact CZ-CD2 3.98Å; L55-L60 HydrophobicContact CD2-CB 4.06Å; L55-L60 HydrophobicContact CD2-CD1 3.76Å; L55-L64 HydrophobicContact CD1-CD2 4.34Å
56	A	52.1	Low	60.7	Low	102 Å²	102	58.9 Å²	58.9	84%	0.843	32%	0.319	S	S	*	.			trans	-84.5	-4.9	-178.5	0	0	0	0	0	115.1
57	D	62	Low	61	Low	79 Å²	79	59.2 Å²	59.2	42%	0.422	32%	0.323	S	S	.	.			trans	-109.7	110.7	179.8	-61.2	-25.9	0	0	0	110.1	D59 L60 T61	D57-D59 PolarHBondContact O-N 3.33Å; D57-L60 HydrophobicContact CB-CB 4.23Å; D57-L60 HydrophobicContact CB-CD1 3.98Å; D57-L60 HydrophobicContact CB-CG 3.97Å; D57-L60 WeakPolarHBondContact O-CB 3.43Å; D57-L60 PolarHBondContact O-N 3.29Å; D57-T61 PolarHBondContact O-N 3.08Å
58	E	68.4	Low	61.1	Low	167 Å²	167	61.3 Å²	61.3	78%	0.78	33%	0.33	S	S	*	.	H	α-helix	trans	-53.4	-41	177.8	-63.9	167.4	168.6	0	0	111.9	L60 T61 E62	E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 3.33Å; E58-T61 PolarHBondContact O-N 2.99Å; E58-T61 VanDerWaalsContact O-N 3.1Å; E58-E62 PolarHBondContact O-N 2.97Å
59	D	68.7	Low	61.6	Low	45 Å²	45	61.6 Å²	61.6	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-51	-39.1	172.4	-103.7	-20.1	0	0	0	113.6	R36 D57 M63 R68	R36-D59 IonicContact CZ-OD2 2.76Å; R36-D59 IonicContact NH2-OD2 2.61Å; R36-D59 PolarHBondContact NH2-OD2 2.86Å; D57-D59 PolarHBondContact O-N 3.33Å; D59-M63 VanDerWaalsContact O-CG 3.27Å; D59-M63 WeakPolarHBondContact O-CG 3.42Å; D59-M63 PolarHBondContact O-N 2.75Å; D59-R68 IonicContact OD1-CZ 3.72Å; D59-R68 IonicContact OD1-NH1 3.35Å; D59-R68 PolarHBondContact OD1-NH1 3.25Å; D59-R68 IonicContact OD1-NH2 3.83Å; D59-R68 PolarHBondContact OD1-NH2 2.85Å
60	L	67.7	Low	62.4	Low	2 Å²	2	61.8 Å²	61.8	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-74.5	-34.9	-179.1	-75.8	178.2	0	0	0	111.4	Q35 R36 A39 L55 D57 E58 M63 L64	Q35-L60 HydrophobicContact CG-CD1 3.99Å; Q35-L60 HydrophobicContact CG-CD2 4.24Å; R36-L60 HydrophobicContact CB-CD2 4.19Å; R36-L60 HydrophobicContact CG-CD2 3.55Å; A39-L60 HydrophobicContact CB-CD2 4.18Å; L55-L60 HydrophobicContact CD2-CB 4.06Å; L55-L60 HydrophobicContact CD2-CD1 3.76Å; D57-L60 HydrophobicContact CB-CB 4.23Å; D57-L60 HydrophobicContact CB-CD1 3.98Å; D57-L60 HydrophobicContact CB-CG 3.97Å; D57-L60 WeakPolarHBondContact O-CB 3.43Å; D57-L60 PolarHBondContact O-N 3.29Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 3.33Å; L60-M63 PolarHBondContact O-N 3.15Å; L60-L64 WeakPolarHBondContact O-CB 3.09Å; L60-L64 PolarHBondContact O-N 3.47Å
61	T	71.6	Confident	63.5	Low	26 Å²	26	63.1 Å²	63.1	16%	0.16	33%	0.333	C	S	.	.	H	α-helix	trans	-70.9	-45.2	178.8	-53	0	0	0	0	110.4	D57 E58 M63 L64 W65	D57-T61 PolarHBondContact O-N 3.08Å; E58-T61 PolarHBondContact O-N 2.99Å; E58-T61 VanDerWaalsContact O-N 3.1Å; T61-M63 VanDerWaalsContact C-N 3.32Å; T61-M63 PolarHBondContact O-N 2.73Å; T61-L64 PolarHBondContact O-N 2.79Å; T61-L64 VanDerWaalsContact O-N 3.17Å; T61-W65 HydrophobicContact CG2-CD2 3.73Å; T61-W65 HydrophobicContact CG2-CE3 3.71Å; T61-W65 HydrophobicContact CG2-CH2 3.34Å; T61-W65 HydrophobicContact CG2-CZ2 3.4Å; T61-W65 HydrophobicContact CG2-CZ3 3.49Å; T61-W65 VanDerWaalsContact CG2-CZ3 3.49Å; T61-W65 WeakPolarHBondContact O-CB 3.38Å; T61-W65 PolarHBondContact O-N 2.97Å
62	E	69.6	Low	64.9	Low	68 Å²	68	60.4 Å²	60.4	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-56.2	-42.3	170.4	-79.1	-169.9	-117.7	0	0	113	E58 W65 N66 T67 R68	E58-E62 PolarHBondContact O-N 2.97Å; E62-W65 PolarHBondContact O-N 3.49Å; E62-N66 PolarHBondContact O-N 2.85Å; E62-N66 VanDerWaalsContact O-N 3.1Å; E62-T67 WeakPolarHBondContact CB-OG1 3.16Å; E62-T67 PolarHBondContact O-N 3.42Å; E62-T67 PolarHBondContact O-OG1 3.46Å; E62-T67 PolarHBondContact OE2-OG1 2.72Å; E62-R68 IonicContact OE1-CZ 2.75Å; E62-R68 IonicContact OE1-NH2 2.79Å; E62-R68 PolarHBondContact OE1-NH2 3.18Å; E62-R68 IonicContact OE2-CZ 2.87Å; E62-R68 VanDerWaalsContact OE2-CZ 3.24Å; E62-R68 IonicContact OE2-NE 3.91Å; E62-R68 PolarHBondContact OE2-NE 3.15Å; E62-R68 IonicContact OE2-NH2 3.22Å; E62-R68 PolarHBondContact OE2-NH2 3.36Å
63	M	67.7	Low	66.1	Low	5 Å²	5	54.8 Å²	54.8	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-41.5	175.1	-76.8	-178.5	-168.1	0	0	112.9	R36 A39 Y40 D59 L60 T61 W65 N66 L659	R36-M63 HydrophobicContact CB-CE 4.3Å; R36-M63 HydrophobicContact CB-SD 3.84Å; R36-M63 HydrophobicContact CG-CE 4.14Å; R36-M63 HydrophobicContact CG-SD 3.97Å; A39-M63 HydrophobicContact CB-CB 3.96Å; Y40-M63 HydrophobicContact CD1-CG 4.45Å; Y40-M63 HydrophobicContact CD2-SD 3.98Å; Y40-M63 HydrophobicContact CE1-CG 4.02Å; Y40-M63 HydrophobicContact CE2-CE 3.78Å; Y40-M63 HydrophobicContact CE2-CG 4.19Å; Y40-M63 HydrophobicContact CE2-SD 3.62Å; D59-M63 VanDerWaalsContact O-CG 3.27Å; D59-M63 WeakPolarHBondContact O-CG 3.42Å; D59-M63 PolarHBondContact O-N 2.75Å; L60-M63 PolarHBondContact O-N 3.15Å; T61-M63 VanDerWaalsContact C-N 3.32Å; T61-M63 PolarHBondContact O-N 2.73Å; M63-W65 VanDerWaalsContact C-N 3.29Å; M63-W65 PolarHBondContact O-N 3.01Å; M63-N66 PolarHBondContact O-N 3.1Å; M63-L659 HydrophobicContact CE-CD1 3.55Å; M63-L659 HydrophobicContact CE-CD2 3.48Å; M63-L659 VanDerWaalsContact CE-CD2 3.48Å; M63-L659 HydrophobicContact CE-CG 4.16Å
64	L	71.2	Confident	67.6	Low	10 Å²	10	47.3 Å²	47.3	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-33.2	178.6	-175.3	63.9	0	0	0	111.6	L42 V48 F49 L55 L60 T61	L42-L64 HydrophobicContact CB-CD1 3.89Å; V48-L64 HydrophobicContact CG1-CD2 4.41Å; F49-L64 HydrophobicContact CD2-CD2 4.09Å; L55-L64 HydrophobicContact CD1-CD2 4.34Å; L60-L64 WeakPolarHBondContact O-CB 3.09Å; L60-L64 PolarHBondContact O-N 3.47Å; T61-L64 PolarHBondContact O-N 2.79Å; T61-L64 VanDerWaalsContact O-N 3.17Å
65	W	70.2	Confident	69.2	Low	28 Å²	28	44.7 Å²	44.7	11%	0.106	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.7	178.7	-66.5	-13.3	0	0	0	114.6	T61 E62 M63 T67 V200 K201 E203	T61-W65 HydrophobicContact CG2-CD2 3.73Å; T61-W65 HydrophobicContact CG2-CE3 3.71Å; T61-W65 HydrophobicContact CG2-CH2 3.34Å; T61-W65 HydrophobicContact CG2-CZ2 3.4Å; T61-W65 HydrophobicContact CG2-CZ3 3.49Å; T61-W65 VanDerWaalsContact CG2-CZ3 3.49Å; T61-W65 WeakPolarHBondContact O-CB 3.38Å; T61-W65 PolarHBondContact O-N 2.97Å; E62-W65 PolarHBondContact O-N 3.49Å; M63-W65 VanDerWaalsContact C-N 3.29Å; M63-W65 PolarHBondContact O-N 3.01Å; W65-T67 VanDerWaalsContact C-N 3.25Å; W65-T67 HydrophobicContact CB-CG2 4.24Å; W65-T67 PolarHBondContact O-N 3.3Å; W65-V200 WeakPolarHBondContact O-CA 3.25Å; W65-K201 HydrophobicContact CB-CB 3.86Å; W65-K201 HydrophobicContact CD2-CB 4.18Å; W65-K201 HydrophobicContact CG-CB 3.61Å; W65-K201 PolarHBondContact O-N 3.34Å; W65-K201 VanDerWaalsContact O-N 3.09Å; W65-E203 HydrophobicContact CE3-CG 4.44Å; W65-E203 HydrophobicContact CH2-CG 3.51Å; W65-E203 HydrophobicContact CZ3-CG 3.34Å
66	N	73	Confident	70.2	Confident	17 Å²	17	42.9 Å²	42.9	9%	0.091	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	21.5	179.7	-61.1	-48.9	0	0	0	115.6	G43 E62 M63 R68 L69 G199	G43-N66 VanDerWaalsContact C-OD1 3.28Å; G43-N66 PolarHBondContact O-ND2 3.07Å; G43-N66 PolarHBondContact O-OD1 3.43Å; E62-N66 PolarHBondContact O-N 2.85Å; E62-N66 VanDerWaalsContact O-N 3.1Å; M63-N66 PolarHBondContact O-N 3.1Å; N66-R68 VanDerWaalsContact C-N 3.31Å; N66-R68 PolarHBondContact O-N 2.71Å; N66-L69 HydrophobicContact CB-CB 4.15Å; N66-L69 HydrophobicContact CB-CD2 4.27Å; N66-L69 WeakPolarHBondContact O-CB 3.08Å; N66-L69 PolarHBondContact O-N 2.85Å; N66-G199 WeakPolarHBondContact CB-O 3.35Å; N66-G199 PolarHBondContact ND2-O 2.69Å
67	T	70.6	Confident	71.3	Confident	40 Å²	40	38 Å²	38	25%	0.245	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-42.5	-172.8	56.2	0	0	0	0	112.9	E62 W65 L69 S70 V200	E62-T67 WeakPolarHBondContact CB-OG1 3.16Å; E62-T67 PolarHBondContact O-N 3.42Å; E62-T67 PolarHBondContact O-OG1 3.46Å; E62-T67 PolarHBondContact OE2-OG1 2.72Å; W65-T67 VanDerWaalsContact C-N 3.25Å; W65-T67 HydrophobicContact CB-CG2 4.24Å; W65-T67 PolarHBondContact O-N 3.3Å; T67-L69 PolarHBondContact O-N 3.33Å; T67-S70 PolarHBondContact O-OG 3.22Å; T67-V200 HydrophobicContact CG2-CG1 4.42Å
68	R	67.6	Low	72.1	Confident	56 Å²	56	41.5 Å²	41.5	21%	0.211	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-1.8	179.5	-53.5	-176	-171.9	164.3	5.2	114.2	D59 E62 N66 S70 E71 H72	D59-R68 IonicContact OD1-CZ 3.72Å; D59-R68 IonicContact OD1-NH1 3.35Å; D59-R68 PolarHBondContact OD1-NH1 3.25Å; D59-R68 IonicContact OD1-NH2 3.83Å; D59-R68 PolarHBondContact OD1-NH2 2.85Å; E62-R68 IonicContact OE1-CZ 2.75Å; E62-R68 IonicContact OE1-NH2 2.79Å; E62-R68 PolarHBondContact OE1-NH2 3.18Å; E62-R68 IonicContact OE2-CZ 2.87Å; E62-R68 VanDerWaalsContact OE2-CZ 3.24Å; E62-R68 IonicContact OE2-NE 3.91Å; E62-R68 PolarHBondContact OE2-NE 3.15Å; E62-R68 IonicContact OE2-NH2 3.22Å; E62-R68 PolarHBondContact OE2-NH2 3.36Å; N66-R68 VanDerWaalsContact C-N 3.31Å; N66-R68 PolarHBondContact O-N 2.71Å; R68-S70 VanDerWaalsContact C-N 3.31Å; R68-S70 PolarHBondContact O-N 3.38Å; R68-E71 PolarHBondContact O-N 3.4Å; R68-H72 PolarHBondContact O-CD2 2.86Å; R68-H72 VanDerWaalsContact O-CD2 3.23Å; R68-H72 PolarHBondContact O-N 3.14Å; R68-H72 VanDerWaalsContact O-N 3.08Å; R68-H72 PolarHBondContact O-ND1 3.34Å
69	L	72.2	Confident	72.4	Confident	17 Å²	17	37.7 Å²	37.7	9%	0.089	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-38.3	-179.2	-178.7	64.5	0	0	0	112.6	N66 T67 H72 F73 W165 P649 F720	N66-L69 HydrophobicContact CB-CB 4.15Å; N66-L69 HydrophobicContact CB-CD2 4.27Å; N66-L69 WeakPolarHBondContact O-CB 3.08Å; N66-L69 PolarHBondContact O-N 2.85Å; T67-L69 PolarHBondContact O-N 3.33Å; L69-H72 PolarHBondContact O-N 3.29Å; L69-F73 WeakPolarHBondContact O-CB 3.4Å; L69-F73 PolarHBondContact O-N 3.32Å; L69-W165 HydrophobicContact CD2-CD2 3.59Å; L69-W165 HydrophobicContact CD2-CE3 3.92Å; L69-W165 HydrophobicContact CD2-CG 3.9Å; L69-W165 HydrophobicContact CD2-CZ2 4.27Å; L69-W165 HydrophobicContact CD2-CZ3 4.4Å; L69-W165 HydrophobicContact CG-CD2 4.1Å; L69-W165 HydrophobicContact CG-CE3 3.96Å; L69-W165 HydrophobicContact CG-CG 4.49Å; L69-W165 HydrophobicContact CG-CZ3 4.44Å; L69-P649 HydrophobicContact CD1-CG 4.26Å; L69-F720 HydrophobicContact CD1-CE2 3.88Å; L69-F720 HydrophobicContact CD1-CZ 3.84Å
70	S	72.2	Confident	72.7	Confident	25 Å²	25	38.5 Å²	38.5	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-46	176.6	55.2	0	0	0	0	111.6	T67 R68 H72 F73 L74 W165	T67-S70 PolarHBondContact O-OG 3.22Å; R68-S70 VanDerWaalsContact C-N 3.31Å; R68-S70 PolarHBondContact O-N 3.38Å; S70-H72 PolarHBondContact O-N 3.27Å; S70-F73 PolarHBondContact O-N 2.97Å; S70-L74 WeakPolarHBondContact O-CB 3.28Å; S70-L74 VanDerWaalsContact O-CG 3.29Å; S70-L74 WeakPolarHBondContact O-CG 3.31Å; S70-L74 PolarHBondContact O-N 2.96Å; S70-W165 WeakPolarHBondContact CB-O 3.32Å
71	E	75.6	Confident	73.1	Confident	123 Å²	123	45.5 Å²	45.5	58%	0.575	22%	0.221	S	C	*	.	H	α-helix	trans	-59.7	-45.5	175.1	-60.6	-159.3	128.2	0	0	112	R68 F73 L74 S75	R68-E71 PolarHBondContact O-N 3.4Å; E71-F73 VanDerWaalsContact C-N 3.35Å; E71-F73 PolarHBondContact O-N 3.1Å; E71-L74 CarbonylContact O-C 3.52Å; E71-L74 PolarHBondContact O-N 3.47Å; E71-S75 PolarHBondContact O-N 2.71Å
72	H	74.7	Confident	73.2	Confident	21 Å²	21	46 Å²	46	10%	0.097	22%	0.223	C	C	.	.	H	α-helix	trans	-67.7	-32.7	179.7	-58.1	-20.7	0	0	0	112.8	R68 L69 S70 S75 L76 F655 F720	R68-H72 PolarHBondContact O-CD2 2.86Å; R68-H72 VanDerWaalsContact O-CD2 3.23Å; R68-H72 PolarHBondContact O-N 3.14Å; R68-H72 VanDerWaalsContact O-N 3.08Å; R68-H72 PolarHBondContact O-ND1 3.34Å; L69-H72 PolarHBondContact O-N 3.29Å; S70-H72 PolarHBondContact O-N 3.27Å; H72-S75 PolarHBondContact O-OG 3.31Å; H72-S75 VanDerWaalsContact O-OG 3.11Å; H72-L76 WeakPolarHBondContact O-CB 3.35Å; H72-L76 PolarHBondContact O-N 3.45Å; H72-F655 AromaticContact CD2-CZ 3.71Å; H72-F655 AromaticContact CE1-CZ 3.57Å; H72-F655 AromaticContact CG-CZ 3.94Å; H72-F655 AromaticContact ND1-CZ 3.85Å; H72-F655 AromaticContact NE2-CZ 3.46Å; H72-F655 WeakPolarHBondContact NE2-CZ 3.34Å; H72-F720 HydrophobicContact CB-CE1 3.75Å; H72-F720 HydrophobicContact CB-CZ 3.89Å; H72-F720 AromaticContact CD2-CE1 3.45Å; H72-F720 VanDerWaalsContact CD2-CE1 3.45Å; H72-F720 WeakPolarHBondContact CD2-CE1 3.24Å; H72-F720 AromaticContact CD2-CZ 3.55Å; H72-F720 AromaticContact CG-CE1 3.83Å
73	F	73.7	Confident	73	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-72.6	-38.5	172.3	-171.3	-99.2	0	0	0	111.5	L69 S70 E71 L76 G77 G127 F128 W165 T597 L598 P649	L69-F73 WeakPolarHBondContact O-CB 3.4Å; L69-F73 PolarHBondContact O-N 3.32Å; S70-F73 PolarHBondContact O-N 2.97Å; E71-F73 VanDerWaalsContact C-N 3.35Å; E71-F73 PolarHBondContact O-N 3.1Å; F73-L76 PolarHBondContact O-N 3.2Å; F73-G77 PolarHBondContact O-N 3.08Å; F73-G127 WeakPolarHBondContact CD1-O 3.45Å; F73-G127 WeakPolarHBondContact CE1-O 3.38Å; F73-F128 HydrophobicContact CE1-CD1 4.33Å; F73-F128 HydrophobicContact CE1-CD2 4.37Å; F73-F128 HydrophobicContact CE1-CE1 4.06Å; F73-F128 HydrophobicContact CE1-CE2 4.11Å; F73-F128 HydrophobicContact CE1-CG 4.47Å; F73-F128 AromaticContact CE1-CZ 3.93Å; F73-F128 HydrophobicContact CE1-CZ 3.93Å; F73-F128 HydrophobicContact CZ-CE1 4.44Å; F73-F128 HydrophobicContact CZ-CE2 4.09Å; F73-F128 AromaticContact CZ-CZ 3.91Å; F73-F128 HydrophobicContact CZ-CZ 3.91Å; F73-W165 HydrophobicContact CB-CZ3 4.48Å; F73-W165 HydrophobicContact CD2-CZ3 4.08Å; F73-W165 HydrophobicContact CE2-CZ3 4.5Å; F73-W165 HydrophobicContact CG-CZ3 4.2Å; F73-T597 VanDerWaalsContact CE2-OG1 3.3Å; F73-T597 WeakPolarHBondContact CE2-OG1 3.36Å; F73-T597 VanDerWaalsContact CZ-OG1 3.24Å; F73-T597 WeakPolarHBondContact CZ-OG1 3.41Å; F73-L598 HydrophobicContact CD2-CD2 4.38Å; F73-L598 HydrophobicContact CE2-CD2 3.53Å; F73-L598 HydrophobicContact CE2-CG 4.07Å; F73-L598 HydrophobicContact CZ-CD1 4.27Å; F73-L598 HydrophobicContact CZ-CD2 3.97Å; F73-L598 HydrophobicContact CZ-CG 4.1Å; F73-P649 HydrophobicContact CD2-CB 4.17Å; F73-P649 HydrophobicContact CE2-CB 4.39Å
74	L	77.6	Confident	73.1	Confident	41 Å²	41	51.3 Å²	51.3	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-73.5	-23.3	176.3	-71	172.5	0	0	0	113.5	S70 E71 R78 M83	S70-L74 WeakPolarHBondContact O-CB 3.28Å; S70-L74 VanDerWaalsContact O-CG 3.29Å; S70-L74 WeakPolarHBondContact O-CG 3.31Å; S70-L74 PolarHBondContact O-N 2.96Å; E71-L74 CarbonylContact O-C 3.52Å; E71-L74 PolarHBondContact O-N 3.47Å; L74-R78 WeakPolarHBondContact O-CG 3.2Å; L74-R78 PolarHBondContact O-N 3.05Å; L74-R78 PolarHBondContact O-NE 3.41Å; L74-M83 HydrophobicContact CD2-CE 4.26Å
75	S	75.4	Confident	73	Confident	25 Å²	25	53 Å²	53	18%	0.175	26%	0.264	C	S	.	.	H	α-helix	trans	-72.4	-49.9	169	75	0	0	0	0	110.2	E71 H72 G77 R78 E79	E71-S75 PolarHBondContact O-N 2.71Å; H72-S75 PolarHBondContact O-OG 3.31Å; H72-S75 VanDerWaalsContact O-OG 3.11Å; S75-G77 VanDerWaalsContact C-N 3.26Å; S75-G77 PolarHBondContact O-N 3.19Å; S75-R78 WeakPolarHBondContact O-CA 3.45Å; S75-R78 WeakPolarHBondContact O-CB 3.46Å; S75-R78 PolarHBondContact O-N 3.27Å; S75-E79 WeakPolarHBondContact O-CG 3.44Å; S75-E79 PolarHBondContact O-N 3.25Å
76	L	73	Confident	73	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-56.2	-38.8	173.1	176.2	150.8	0	0	0	112.5	H72 F73 R78 E79 L80 T597 L651 P693 L695	H72-L76 WeakPolarHBondContact O-CB 3.35Å; H72-L76 PolarHBondContact O-N 3.45Å; F73-L76 PolarHBondContact O-N 3.2Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 PolarHBondContact O-N 3Å; L76-E79 PolarHBondContact O-N 3.33Å; L76-L80 HydrophobicContact CD2-CD1 3.64Å; L76-L80 HydrophobicContact CG-CD1 3.89Å; L76-L80 HydrophobicContact CG-CG 4.48Å; L76-L80 WeakPolarHBondContact O-CB 3.08Å; L76-L80 WeakPolarHBondContact O-CG 3.11Å; L76-L80 PolarHBondContact O-N 3.11Å; L76-T597 HydrophobicContact CD2-CG2 3.94Å; L76-L651 HydrophobicContact CD1-CB 3.57Å; L76-P693 HydrophobicContact CD1-CB 4.19Å; L76-P693 HydrophobicContact CG-CB 4.41Å; L76-L695 HydrophobicContact CD1-CD2 4.13Å; L76-L695 HydrophobicContact CD2-CD2 4.32Å
77	G	75.1	Confident	72.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-34	175.4	0	0	0	0	0	113.9	F73 S75 I82 M83	F73-G77 PolarHBondContact O-N 3.08Å; S75-G77 VanDerWaalsContact C-N 3.26Å; S75-G77 PolarHBondContact O-N 3.19Å; G77-I82 PolarHBondContact O-N 2.78Å; G77-M83 WeakPolarHBondContact O-CG 3.47Å; G77-M83 PolarHBondContact O-N 3.04Å
78	R	77.7	Confident	72.5	Confident	152 Å²	152	55.6 Å²	55.6	57%	0.574	27%	0.274	S	S	*	.	H	α-helix	trans	-73.6	-46.9	172.6	-75.4	172.7	-102.1	-175.4	-6.9	111.5	L74 S75 L76 L80 D81 M83	L74-R78 WeakPolarHBondContact O-CG 3.2Å; L74-R78 PolarHBondContact O-N 3.05Å; L74-R78 PolarHBondContact O-NE 3.41Å; S75-R78 WeakPolarHBondContact O-CA 3.45Å; S75-R78 WeakPolarHBondContact O-CB 3.46Å; S75-R78 PolarHBondContact O-N 3.27Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 PolarHBondContact O-N 3Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 3.27Å; R78-D81 PolarHBondContact O-N 2.76Å; R78-D81 VanDerWaalsContact O-N 3.12Å; R78-M83 HydrophobicContact CG-CG 4.14Å; R78-M83 HydrophobicContact CG-SD 4.18Å
79	E	76.2	Confident	72.4	Confident	87 Å²	87	58.9 Å²	58.9	41%	0.407	29%	0.292	S	S	.	.	H	α-helix	trans	-70.8	-20.8	-174.8	-68.9	176.6	-102.4	0	0	113.9	S75 L76 P693	S75-E79 WeakPolarHBondContact O-CG 3.44Å; S75-E79 PolarHBondContact O-N 3.25Å; L76-E79 PolarHBondContact O-N 3.33Å; E79-P693 HydrophobicContact CB-CG 3.88Å; E79-P693 HydrophobicContact CG-CG 4.45Å; E79-P693 WeakPolarHBondContact OE2-CD 3.46Å
80	L	73.7	Confident	72.3	Confident	61 Å²	61	62.3 Å²	62.3	32%	0.319	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	1.1	172.5	-62.3	175.6	0	0	0	113.7	L76 R78 I82 T597 L695	L76-L80 HydrophobicContact CD2-CD1 3.64Å; L76-L80 HydrophobicContact CG-CD1 3.89Å; L76-L80 HydrophobicContact CG-CG 4.48Å; L76-L80 WeakPolarHBondContact O-CB 3.08Å; L76-L80 WeakPolarHBondContact O-CG 3.11Å; L76-L80 PolarHBondContact O-N 3.11Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 3.27Å; L80-I82 HydrophobicContact CB-CB 4.3Å; L80-I82 HydrophobicContact CB-CD1 3.6Å; L80-I82 HydrophobicContact CB-CG1 3.68Å; L80-I82 HydrophobicContact CD1-CD1 3.81Å; L80-I82 HydrophobicContact CG-CD1 4.35Å; L80-I82 WeakPolarHBondContact O-CG1 3.37Å; L80-I82 PolarHBondContact O-N 3.14Å; L80-T597 HydrophobicContact CD1-CG2 4.35Å; L80-L695 HydrophobicContact CD1-CD1 3.93Å; L80-L695 HydrophobicContact CD1-CD2 4.22Å; L80-L695 HydrophobicContact CD1-CG 3.98Å
81	D	75.8	Confident	72.1	Confident	149 Å²	149	61.9 Å²	61.9	80%	0.797	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	29.6	-170.2	-69.8	-44.9	0	0	0	113.9	R78 M83	R78-D81 PolarHBondContact O-N 2.76Å; R78-D81 VanDerWaalsContact O-N 3.12Å; D81-M83 VanDerWaalsContact C-N 3.35Å
82	I	74	Confident	71.5	Confident	36 Å²	36	56.7 Å²	56.7	19%	0.185	28%	0.281	C	S	.	.			trans	-88.3	-1.8	-174.4	-71.1	-179.5	0	0	0	112.6	G77 L80 D84 F128 K595 T597	G77-I82 PolarHBondContact O-N 2.78Å; L80-I82 HydrophobicContact CB-CB 4.3Å; L80-I82 HydrophobicContact CB-CD1 3.6Å; L80-I82 HydrophobicContact CB-CG1 3.68Å; L80-I82 HydrophobicContact CD1-CD1 3.81Å; L80-I82 HydrophobicContact CG-CD1 4.35Å; L80-I82 WeakPolarHBondContact O-CG1 3.37Å; L80-I82 PolarHBondContact O-N 3.14Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.2Å; I82-F128 HydrophobicContact CB-CE1 4.34Å; I82-F128 HydrophobicContact CB-CZ 4.44Å; I82-F128 HydrophobicContact CG2-CE1 3.66Å; I82-F128 HydrophobicContact CG2-CE2 4.16Å; I82-F128 HydrophobicContact CG2-CZ 3.38Å; I82-K595 HydrophobicContact CG2-CB 3.98Å; I82-K595 HydrophobicContact CG2-CD 3.45Å; I82-K595 VanDerWaalsContact CG2-CD 3.45Å; I82-K595 HydrophobicContact CG2-CG 4.29Å; I82-K595 PolarHBondContact O-NZ 3.37Å; I82-T597 HydrophobicContact CD1-CG2 3.99Å
83	M	66	Low	71.1	Confident	54 Å²	54	60.8 Å²	60.8	27%	0.266	30%	0.299	S	S	.	.			trans	-58.9	-32.1	-173.7	-65.3	-53.6	-59.2	0	0	115.2	L74 G77 R78 D81 F128	L74-M83 HydrophobicContact CD2-CE 4.26Å; G77-M83 WeakPolarHBondContact O-CG 3.47Å; G77-M83 PolarHBondContact O-N 3.04Å; R78-M83 HydrophobicContact CG-CG 4.14Å; R78-M83 HydrophobicContact CG-SD 4.18Å; D81-M83 VanDerWaalsContact C-N 3.35Å; M83-F128 HydrophobicContact SD-CD1 4.22Å
84	D	69	Low	70.3	Confident	132 Å²	132	63.2 Å²	63.2	71%	0.706	32%	0.316	S	S	*	.	S	Bend	trans	-62.8	125	-175.8	-83.1	-25.4	0	0	0	112	I82 K86 K595	I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.2Å; D84-K86 PolarHBondContact O-N 2.91Å; D84-K595 PolarHBondContact O-NZ 3.43Å
85	P	69.3	Low	69	Low	46 Å²	46	69.9 Å²	69.9	30%	0.299	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-71.3	120	-177	28.3	-33.6	0	0	0	110.3	N125	P85-N125 WeakPolarHBondContact CA-OD1 3.2Å
86	K	69.9	Low	68	Low	88 Å²	88	74.5 Å²	74.5	38%	0.383	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-81.6	138	176.1	-63.8	179.5	-174.3	170	0	108.9	D84 N121 V124 N125 K595	D84-K86 PolarHBondContact O-N 2.91Å; K86-N121 PolarHBondContact O-OD1 2.76Å; K86-V124 HydrophobicContact CB-CG1 4.06Å; K86-N125 PolarHBondContact N-OD1 3.05Å; K86-N125 PolarHBondContact O-ND2 2.99Å; K86-K595 HydrophobicContact CD-CD 4.33Å; K86-K595 HydrophobicContact CD-CG 4.16Å
87	L	68.2	Low	67.1	Low	45 Å²	45	76.1 Å²	76.1	24%	0.236	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-82.5	151.8	173.6	-66.1	173.9	0	0	0	109.8	E89 D90 K132 L133	L87-E89 PolarHBondContact O-N 3.01Å; L87-E89 VanDerWaalsContact O-N 3.13Å; L87-D90 PolarHBondContact N-OD2 3.41Å; L87-D90 WeakPolarHBondContact O-CB 3.35Å; L87-D90 PolarHBondContact O-N 3.24Å; L87-K132 HydrophobicContact CD2-CB 4.14Å; L87-K132 HydrophobicContact CD2-CD 4.38Å; L87-L133 HydrophobicContact CD2-CD2 3.95Å; L87-L133 HydrophobicContact CD2-CG 4.22Å
88	P	65.4	Low	65.6	Low	5 Å²	5	80.5 Å²	80.5	3%	0.032	41%	0.411	C	S	.	.	H	α-helix	trans	-54.5	-31.9	173.9	-28.3	36.8	0	0	0	113.3	D90 I91 Y92 A117 V120 N121 L133	P88-D90 VanDerWaalsContact C-N 3.33Å; P88-D90 PolarHBondContact O-N 3.44Å; P88-I91 PolarHBondContact O-N 3.13Å; P88-Y92 HydrophobicContact CB-CE2 3.97Å; P88-Y92 WeakPolarHBondContact O-CD2 3.26Å; P88-Y92 VanDerWaalsContact O-CG 3.3Å; P88-Y92 PolarHBondContact O-N 2.86Å; P88-A117 HydrophobicContact CB-CB 4.3Å; P88-A117 HydrophobicContact CG-CB 4.45Å; P88-A117 WeakPolarHBondContact CG-O 3.35Å; P88-V120 HydrophobicContact CB-CB 4.31Å; P88-V120 HydrophobicContact CB-CG1 3.84Å; P88-V120 HydrophobicContact CG-CG1 4.3Å; P88-N121 HydrophobicContact CG-CB 3.76Å; P88-L133 HydrophobicContact CG-CD1 4.32Å
89	E	65.2	Low	64.3	Low	126 Å²	126	77.9 Å²	77.9	59%	0.589	41%	0.412	S	S	*	.	H	α-helix	trans	-64.9	-31.8	178.7	-55.9	-169	160.4	0	0	113.2	L87 I91 K93	L87-E89 PolarHBondContact O-N 3.01Å; L87-E89 VanDerWaalsContact O-N 3.13Å; E89-I91 PolarHBondContact O-N 3.47Å; E89-K93 WeakPolarHBondContact O-CA 3.34Å; E89-K93 PolarHBondContact O-N 3.43Å
90	D	69.9	Low	62.8	Low	89 Å²	89	82.9 Å²	82.9	48%	0.476	43%	0.427	S	S	.	.	H	α-helix	trans	-66.4	-26.1	176.5	-59.3	-43.5	0	0	0	112.3	L87 P88 K93	L87-D90 PolarHBondContact N-OD2 3.41Å; L87-D90 WeakPolarHBondContact O-CB 3.35Å; L87-D90 PolarHBondContact O-N 3.24Å; P88-D90 VanDerWaalsContact C-N 3.33Å; P88-D90 PolarHBondContact O-N 3.44Å; D90-K93 WeakPolarHBondContact O-CG 3.36Å
91	I	68.6	Low	61.4	Low	16 Å²	16	86.4 Å²	86.4	8%	0.082	45%	0.454	C	S	.	.	H	α-helix	trans	-89.8	-44.6	-179.5	-77.5	165.5	0	0	0	111.1	P88 E89 K93 V124 Q588 H592	P88-I91 PolarHBondContact O-N 3.13Å; E89-I91 PolarHBondContact O-N 3.47Å; I91-K93 PolarHBondContact O-N 3.15Å; I91-V124 HydrophobicContact CD1-CB 4.05Å; I91-V124 HydrophobicContact CD1-CG1 3.62Å; I91-V124 HydrophobicContact CD1-CG2 3.24Å; I91-Q588 HydrophobicContact CG2-CB 4.21Å; I91-H592 HydrophobicContact CD1-CB 3.93Å; I91-H592 VanDerWaalsContact CG2-CD2 3.5Å; I91-H592 WeakPolarHBondContact CG2-CD2 3.12Å
92	Y	63.8	Low	60	Low	14 Å²	14	84.9 Å²	84.9	6%	0.055	45%	0.45	C	S	.	.	H	α-helix	trans	-57.3	-34.1	169.3	-57	-26.9	0	0	0	110.6	P88 S94 A117 V120 R585	P88-Y92 HydrophobicContact CB-CE2 3.97Å; P88-Y92 WeakPolarHBondContact O-CD2 3.26Å; P88-Y92 VanDerWaalsContact O-CG 3.3Å; P88-Y92 PolarHBondContact O-N 2.86Å; Y92-S94 VanDerWaalsContact C-N 3.32Å; Y92-A117 WeakPolarHBondContact OH-CA 3.4Å; Y92-V120 HydrophobicContact CE1-CG1 4.45Å; Y92-V120 HydrophobicContact CE1-CG2 4.14Å; Y92-R585 HydrophobicContact CD1-CG 4.38Å; Y92-R585 HydrophobicContact CE1-CB 3.95Å; Y92-R585 HydrophobicContact CE1-CG 3.64Å
93	K	66.2	Low	58.5	Low	107 Å²	107	88 Å²	88	47%	0.465	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	56	-171.1	-61.1	-173.8	-179.5	-170.9	0	109.3	E89 D90 I91 H95 L96 E97	E89-K93 WeakPolarHBondContact O-CA 3.34Å; E89-K93 PolarHBondContact O-N 3.43Å; D90-K93 WeakPolarHBondContact O-CG 3.36Å; I91-K93 PolarHBondContact O-N 3.15Å; K93-H95 PolarHBondContact O-N 3.23Å; K93-L96 HydrophobicContact CB-CD1 3.91Å; K93-L96 HydrophobicContact CD-CD1 4.32Å; K93-L96 WeakPolarHBondContact O-CA 3.46Å; K93-L96 PolarHBondContact O-N 3.24Å; K93-E97 PolarHBondContact O-N 2.75Å
94	S	55.4	Low	57.2	Low	52 Å²	52	91.3 Å²	91.3	36%	0.364	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-31.3	-175.7	53.8	0	0	0	0	113.3	Y92 L96 E97	Y92-S94 VanDerWaalsContact C-N 3.32Å; S94-L96 VanDerWaalsContact C-N 3.29Å; S94-L96 PolarHBondContact O-N 3.48Å; S94-E97 CarbonylContact O-C 3.53Å; S94-E97 PolarHBondContact O-N 2.97Å
95	H	51.9	Low	56.1	Low	182 Å²	182	88.9 Å²	88.9	84%	0.843	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.8	172.8	-57.3	-50.5	0	0	0	115.4	K93	K93-H95 PolarHBondContact O-N 3.23Å
96	L	53.7	Low	54.9	Low	121 Å²	121	91.5 Å²	91.5	63%	0.634	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-20.2	171.1	-74.6	109.7	0	0	0	112.8	K93 S94 A98	K93-L96 HydrophobicContact CB-CD1 3.91Å; K93-L96 HydrophobicContact CD-CD1 4.32Å; K93-L96 WeakPolarHBondContact O-CA 3.46Å; K93-L96 PolarHBondContact O-N 3.24Å; S94-L96 VanDerWaalsContact C-N 3.29Å; S94-L96 PolarHBondContact O-N 3.48Å; L96-A98 PolarHBondContact O-N 3.08Å
97	E	54.6	Low	53.8	Low	37 Å²	37	92.9 Å²	92.9	17%	0.173	53%	0.525	C	S	.	.			trans	-75.8	74.2	167.6	-64.5	-166.1	155.7	0	0	109.4	K93 S94 V99 A571	K93-E97 PolarHBondContact O-N 2.75Å; S94-E97 CarbonylContact O-C 3.53Å; S94-E97 PolarHBondContact O-N 2.97Å; E97-V99 PolarHBondContact O-N 2.79Å; E97-A571 WeakPolarHBondContact OE1-CB 3.31Å
98	A	43.9	Very low	52.9	Low	91 Å²	91	94.1 Å²	94.1	75%	0.752	53%	0.531	S	S	*	.			trans	-69.5	66.2	176	0	0	0	0	0	111.6	L96 R100	L96-A98 PolarHBondContact O-N 3.08Å; A98-R100 PolarHBondContact O-N 2.82Å; A98-R100 VanDerWaalsContact O-N 3.16Å
99	V	50.3	Low	52.5	Low	98 Å²	98	96.3 Å²	96.3	59%	0.594	54%	0.543	S	S	*	.			trans	-52.1	119.4	168.4	178.1	0	0	0	0	107.3	E97	E97-V99 PolarHBondContact O-N 2.79Å
100	R	44.7	Very low	52.6	Low	191 Å²	191	93.5 Å²	93.5	72%	0.721	54%	0.537	S	S	*	.			trans	-55.9	129.3	178.4	-73.5	-178.3	172.6	-178.4	-2.4	108.5	A98 T102 L103	A98-R100 PolarHBondContact O-N 2.82Å; A98-R100 VanDerWaalsContact O-N 3.16Å; R100-T102 PolarHBondContact O-N 2.85Å; R100-L103 PolarHBondContact O-N 2.85Å
101	P	44.1	Very low	52.6	Low	135 Å²	135	89.7 Å²	89.7	88%	0.877	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	13.8	-177.7	28.9	-36.3	0	0	0	114.1
102	T	45.9	Very low	52.7	Low	118 Å²	118	92.2 Å²	92.2	72%	0.724	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	2.1	175.2	62.7	0	0	0	0	113	R100	R100-T102 PolarHBondContact O-N 2.85Å
103	L	42.2	Very low	53.2	Low	102 Å²	102	92.7 Å²	92.7	53%	0.534	53%	0.533	S	S	.	.	S	Bend	trans	-110.3	123	175.4	-85.9	143.1	0	0	0	109.5	R100 A105	R100-L103 PolarHBondContact O-N 2.85Å; L103-A105 PolarHBondContact O-N 2.97Å
104	N	39.5	Very low	53.7	Low	123 Å²	123	88.3 Å²	88.3	66%	0.658	52%	0.515	S	S	*	.			trans	-66.8	104	-180	-74.7	-15.6	0	0	0	110.5	A106 T107	N104-A106 PolarHBondContact O-N 3.36Å; N104-T107 HydrophobicContact CB-CG2 4.33Å; N104-T107 PolarHBondContact O-N 3.42Å; N104-T107 PolarHBondContact O-OG1 2.82Å
105	A	45.3	Very low	54.7	Low	81 Å²	81	86.4 Å²	86.4	67%	0.669	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-55.9	-23.6	175.4	0	0	0	0	0	113.2	L103 T107 L108	L103-A105 PolarHBondContact O-N 2.97Å; A105-T107 VanDerWaalsContact C-N 3.3Å; A105-T107 PolarHBondContact O-N 3.14Å; A105-L108 PolarHBondContact O-N 2.85Å
106	A	44.4	Very low	55.9	Low	100 Å²	100	77.8 Å²	77.8	83%	0.826	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.8	177.2	0	0	0	0	0	115.3	N104	N104-A106 PolarHBondContact O-N 3.36Å
107	T	46.6	Very low	57.1	Low	118 Å²	118	72.5 Å²	72.5	72%	0.724	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-93.3	-1.3	177.1	57.4	0	0	0	0	113.8	N104 A105	N104-T107 HydrophobicContact CB-CG2 4.33Å; N104-T107 PolarHBondContact O-N 3.42Å; N104-T107 PolarHBondContact O-OG1 2.82Å; A105-T107 VanDerWaalsContact C-N 3.3Å; A105-T107 PolarHBondContact O-N 3.14Å
108	L	50.3	Low	58.3	Low	70 Å²	70	70.9 Å²	70.9	37%	0.366	43%	0.427	S	S	.	.	S	Bend	trans	-79.7	125.8	168.1	-69.7	163.1	0	0	0	108.7	A105 S110 L581	A105-L108 PolarHBondContact O-N 2.85Å; L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 3.08Å; L108-L581 HydrophobicContact CD2-CD2 4.21Å
109	D	56.2	Low	60.2	Low	52 Å²	52	66.6 Å²	66.6	28%	0.278	39%	0.392	S	S	.	.			trans	-61.9	91.9	179.6	179.8	14	0	0	0	110.4	A111 R112 A113 K148	D109-A111 PolarHBondContact O-N 3.08Å; D109-A111 VanDerWaalsContact O-N 3.09Å; D109-R112 PolarHBondContact O-N 3.21Å; D109-R112 IonicContact OD2-NH1 2.67Å; D109-A113 PolarHBondContact O-N 3.3Å; D109-K148 IonicContact OD1-NZ 2.43Å; D109-K148 PolarHBondContact OD1-NZ 2.94Å; D109-K148 IonicContact OD2-NZ 2.72Å; D109-K148 PolarHBondContact OD2-NZ 3.02Å; D109-K148 VanDerWaalsContact OD2-NZ 3.12Å
110	S	67.6	Low	61.7	Low	67 Å²	67	61.9 Å²	61.9	47%	0.469	36%	0.363	S	S	.	.	H	α-helix	trans	-54.3	-34.9	-171.8	173.3	0	0	0	0	111.9	L108 R112 A113 N114	L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 3.08Å; S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 3.05Å; S110-A113 PolarHBondContact O-N 3.24Å; S110-N114 VanDerWaalsContact O-CB 3.32Å; S110-N114 WeakPolarHBondContact O-CB 3.28Å; S110-N114 PolarHBondContact O-N 3.05Å; S110-N114 PolarHBondContact O-ND2 3.36Å; S110-N114 PolarHBondContact O-OD1 3.45Å; S110-N114 VanDerWaalsContact O-OD1 3.05Å; S110-N114 PolarHBondContact OG-ND2 3.48Å; S110-N114 VanDerWaalsContact OG-ND2 3.13Å; S110-N114 PolarHBondContact OG-OD1 3.13Å
111	A	69.9	Low	63.6	Low	9 Å²	9	52.9 Å²	52.9	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-40.9	177.9	0	0	0	0	0	112.8	D109 L115 Q147 K148	D109-A111 PolarHBondContact O-N 3.08Å; D109-A111 VanDerWaalsContact O-N 3.09Å; A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.2Å; A111-Q147 PolarHBondContact O-OE1 2.82Å; A111-K148 HydrophobicContact CB-CD 3.77Å; A111-K148 VanDerWaalsContact CB-CE 3.45Å; A111-K148 HydrophobicContact CB-CG 4.02Å
112	R	70.4	Confident	65.3	Low	69 Å²	69	46.4 Å²	46.4	26%	0.26	29%	0.288	S	S	.	.	H	α-helix	trans	-75.5	-35.9	177.1	-73.7	-176.1	172.1	134.1	-12.9	112.3	D109 S110 N114 L115 A116 Y579 M633	D109-R112 PolarHBondContact O-N 3.21Å; D109-R112 IonicContact OD2-NH1 2.67Å; S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 3.05Å; R112-N114 VanDerWaalsContact C-N 3.28Å; R112-N114 PolarHBondContact O-N 2.8Å; R112-L115 PolarHBondContact O-N 3.31Å; R112-A116 PolarHBondContact O-N 3.45Å; R112-Y579 PolarHBondContact NH1-OH 3.02Å; R112-Y579 PolarHBondContact NH2-OH 2.94Å; R112-Y579 VanDerWaalsContact NH2-OH 3.08Å; R112-M633 PolarHBondContact NH2-O 3.33Å
113	A	73.5	Confident	67.1	Low	24 Å²	24	40.9 Å²	40.9	20%	0.198	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-38	172.2	0	0	0	0	0	112.1	D109 S110 A117 R585	D109-A113 PolarHBondContact O-N 3.3Å; S110-A113 PolarHBondContact O-N 3.24Å; A113-A117 PolarHBondContact O-N 3.04Å; A113-R585 PolarHBondContact O-NH1 2.93Å
114	N	77.3	Confident	69	Low	14 Å²	14	36.1 Å²	36.1	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-74.1	-41.7	178.7	-60.1	-11.2	0	0	0	111.5	S110 R112 A117 S118 W143	S110-N114 VanDerWaalsContact O-CB 3.32Å; S110-N114 WeakPolarHBondContact O-CB 3.28Å; S110-N114 PolarHBondContact O-N 3.05Å; S110-N114 PolarHBondContact O-ND2 3.36Å; S110-N114 PolarHBondContact O-OD1 3.45Å; S110-N114 VanDerWaalsContact O-OD1 3.05Å; S110-N114 PolarHBondContact OG-ND2 3.48Å; S110-N114 VanDerWaalsContact OG-ND2 3.13Å; S110-N114 PolarHBondContact OG-OD1 3.13Å; R112-N114 VanDerWaalsContact C-N 3.28Å; R112-N114 PolarHBondContact O-N 2.8Å; N114-A117 WeakPolarHBondContact O-CB 3.32Å; N114-A117 PolarHBondContact O-N 3.46Å; N114-A117 VanDerWaalsContact O-N 3.13Å; N114-S118 PolarHBondContact O-N 2.95Å; N114-S118 PolarHBondContact O-OG 3.11Å; N114-W143 HydrophobicContact CB-CH2 3.93Å; N114-W143 HydrophobicContact CB-CZ2 3.49Å; N114-W143 VanDerWaalsContact CB-CZ2 3.49Å; N114-W143 VanDerWaalsContact OD1-CH2 3.31Å; N114-W143 WeakPolarHBondContact OD1-CH2 3.37Å
115	L	76.3	Confident	71	Confident	13 Å²	13	30.3 Å²	30.3	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-45.2	172.9	-100.2	168.9	0	0	0	112.9	A111 R112 A117 S118 Y119 G151 F582	A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.2Å; R112-L115 PolarHBondContact O-N 3.31Å; L115-A117 VanDerWaalsContact C-N 3.26Å; L115-A117 PolarHBondContact O-N 3.13Å; L115-S118 WeakPolarHBondContact CA-OG 3.37Å; L115-S118 PolarHBondContact O-N 3.33Å; L115-S118 PolarHBondContact O-OG 2.69Å; L115-Y119 HydrophobicContact CD2-CE2 4.13Å; L115-Y119 VanDerWaalsContact O-CD2 3.27Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.31Å; L115-Y119 VanDerWaalsContact O-N 3.12Å; L115-G151 VanDerWaalsContact CD2-CA 3.41Å; L115-F582 HydrophobicContact CB-CE2 4.19Å
116	A	77.1	Confident	72.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-39.6	174.3	0	0	0	0	0	111.9	R112 Y119 V120 F582 R585	R112-A116 PolarHBondContact O-N 3.45Å; A116-Y119 PolarHBondContact O-N 3.19Å; A116-V120 WeakPolarHBondContact O-CB 3.48Å; A116-V120 VanDerWaalsContact O-CG2 3.28Å; A116-V120 WeakPolarHBondContact O-CG2 3.31Å; A116-V120 PolarHBondContact O-N 3.31Å; A116-F582 HydrophobicContact CB-CD2 3.75Å; A116-F582 HydrophobicContact CB-CE2 4.31Å; A116-R585 HydrophobicContact CB-CB 3.8Å; A116-R585 HydrophobicContact CB-CG 4.4Å
117	A	78.8	Confident	73.7	Confident	10 Å²	10	22.1 Å²	22.1	8%	0.083	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-35.6	179.5	0	0	0	0	0	113.1	P88 Y92 A113 N114 L115 V120 N121 W143	P88-A117 HydrophobicContact CB-CB 4.3Å; P88-A117 HydrophobicContact CG-CB 4.45Å; P88-A117 WeakPolarHBondContact CG-O 3.35Å; Y92-A117 WeakPolarHBondContact OH-CA 3.4Å; A113-A117 PolarHBondContact O-N 3.04Å; N114-A117 WeakPolarHBondContact O-CB 3.32Å; N114-A117 PolarHBondContact O-N 3.46Å; N114-A117 VanDerWaalsContact O-N 3.13Å; L115-A117 VanDerWaalsContact C-N 3.26Å; L115-A117 PolarHBondContact O-N 3.13Å; A117-V120 PolarHBondContact O-N 3.09Å; A117-N121 WeakPolarHBondContact O-CB 3.41Å; A117-N121 PolarHBondContact O-N 3.17Å; A117-W143 HydrophobicContact CB-CZ2 4.06Å
118	S	80.9	Confident	74.8	Confident	3 Å²	3	16.6 Å²	16.6	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-43.6	171.6	36.5	0	0	0	0	112.3	N114 L115 V120 N121 G122 Q147 T155	N114-S118 PolarHBondContact O-N 2.95Å; N114-S118 PolarHBondContact O-OG 3.11Å; L115-S118 WeakPolarHBondContact CA-OG 3.37Å; L115-S118 PolarHBondContact O-N 3.33Å; L115-S118 PolarHBondContact O-OG 2.69Å; S118-V120 PolarHBondContact O-N 3.28Å; S118-N121 PolarHBondContact O-N 2.97Å; S118-G122 PolarHBondContact O-N 3.26Å; S118-Q147 PolarHBondContact OG-NE2 3.21Å; S118-T155 PolarHBondContact OG-OG1 2.78Å
119	Y	82.7	Confident	75.4	Confident	1 Å²	1	14.2 Å²	14.2	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-42.3	174.4	-78.5	-63.3	0	0	0	112.4	L115 A116 L123 S154 T158 W161 F582 D637 I640 F641	L115-Y119 HydrophobicContact CD2-CE2 4.13Å; L115-Y119 VanDerWaalsContact O-CD2 3.27Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.31Å; L115-Y119 VanDerWaalsContact O-N 3.12Å; A116-Y119 PolarHBondContact O-N 3.19Å; Y119-L123 WeakPolarHBondContact O-CB 3.03Å; Y119-L123 VanDerWaalsContact O-CG 3.3Å; Y119-L123 WeakPolarHBondContact O-CG 3.38Å; Y119-L123 PolarHBondContact O-N 3.02Å; Y119-S154 VanDerWaalsContact OH-CB 3.26Å; Y119-S154 WeakPolarHBondContact OH-CB 3.2Å; Y119-S154 PolarHBondContact OH-OG 3.49Å; Y119-T158 HydrophobicContact CD1-CG2 3.72Å; Y119-T158 HydrophobicContact CE1-CG2 4.22Å; Y119-T158 HydrophobicContact CG-CG2 4.42Å; Y119-W161 HydrophobicContact CD1-CH2 4.01Å; Y119-W161 AromaticContact CD1-CZ3 3.78Å; Y119-W161 HydrophobicContact CD1-CZ3 3.78Å; Y119-W161 HydrophobicContact CE1-CH2 4.32Å; Y119-W161 HydrophobicContact CE1-CZ3 4.45Å; Y119-F582 AromaticContact CD2-CE2 3.91Å; Y119-F582 HydrophobicContact CD2-CE2 3.91Å; Y119-F582 AromaticContact CD2-CZ 3.9Å; Y119-F582 HydrophobicContact CD2-CZ 3.9Å; Y119-F582 HydrophobicContact CE2-CE2 4.15Å; Y119-F582 AromaticContact CE2-CZ 3.92Å; Y119-F582 HydrophobicContact CE2-CZ 3.92Å; Y119-D637 HydrophobicContact CE2-CB 4.36Å; Y119-D637 WeakPolarHBondContact OH-CB 3.16Å; Y119-D637 PolarHBondContact OH-O 3.21Å; Y119-I640 HydrophobicContact CD1-CD1 4.29Å; Y119-I640 HydrophobicContact CE1-CD1 3.81Å; Y119-I640 HydrophobicContact CE2-CD1 4.2Å; Y119-F641 HydrophobicContact CE1-CE2 4.16Å; Y119-F641 AromaticContact CE1-CZ 3.99Å; Y119-F641 HydrophobicContact CE1-CZ 3.99Å
120	V	82.7	Confident	75.9	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.6	-43.3	173.7	169.9	0	0	0	0	111.1	P88 Y92 A116 A117 S118 G122 L123 V124 R585	P88-V120 HydrophobicContact CB-CB 4.31Å; P88-V120 HydrophobicContact CB-CG1 3.84Å; P88-V120 HydrophobicContact CG-CG1 4.3Å; Y92-V120 HydrophobicContact CE1-CG1 4.45Å; Y92-V120 HydrophobicContact CE1-CG2 4.14Å; A116-V120 WeakPolarHBondContact O-CB 3.48Å; A116-V120 VanDerWaalsContact O-CG2 3.28Å; A116-V120 WeakPolarHBondContact O-CG2 3.31Å; A116-V120 PolarHBondContact O-N 3.31Å; A117-V120 PolarHBondContact O-N 3.09Å; S118-V120 PolarHBondContact O-N 3.28Å; V120-G122 PolarHBondContact O-N 3.18Å; V120-L123 PolarHBondContact O-N 3.32Å; V120-V124 HydrophobicContact CG1-CG2 3.99Å; V120-V124 VanDerWaalsContact O-CB 3.23Å; V120-V124 WeakPolarHBondContact O-CB 3.37Å; V120-V124 WeakPolarHBondContact O-CG2 3.44Å; V120-V124 PolarHBondContact O-N 3.44Å; V120-R585 HydrophobicContact CG2-CB 4.44Å; V120-R585 WeakPolarHBondContact CG2-O 3.23Å
121	N	83.4	Confident	75.9	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-64.6	-43.5	-178.3	-149.4	21	0	0	0	112.3	K86 P88 A117 S118 V124 N125 E131 L133	K86-N121 PolarHBondContact O-OD1 2.76Å; P88-N121 HydrophobicContact CG-CB 3.76Å; A117-N121 WeakPolarHBondContact O-CB 3.41Å; A117-N121 PolarHBondContact O-N 3.17Å; S118-N121 PolarHBondContact O-N 2.97Å; N121-V124 PolarHBondContact O-N 3.29Å; N121-N125 PolarHBondContact O-N 3.04Å; N121-N125 PolarHBondContact O-ND2 3.31Å; N121-N125 PolarHBondContact OD1-ND2 3.23Å; N121-E131 WeakPolarHBondContact ND2-CG 3.41Å; N121-E131 PolarHBondContact ND2-OE1 3.48Å; N121-L133 WeakPolarHBondContact ND2-CD1 3.44Å; N121-L133 WeakPolarHBondContact ND2-CG 3.31Å
122	G	80.8	Confident	75.5	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-49.3	176	0	0	0	0	0	112.7	S118 V120 V124 C126	S118-G122 PolarHBondContact O-N 3.26Å; V120-G122 PolarHBondContact O-N 3.18Å; G122-V124 VanDerWaalsContact C-N 3.35Å; G122-V124 PolarHBondContact O-N 2.97Å; G122-C126 PolarHBondContact O-N 3.48Å; G122-C126 VanDerWaalsContact O-N 3.14Å; G122-C126 PolarHBondContact O-SG 3.27Å
123	L	83.2	Confident	75	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-37.9	178.8	-70.8	170.5	0	0	0	112.9	Y119 V120 C126 W161 L590 L593 G594	Y119-L123 WeakPolarHBondContact O-CB 3.03Å; Y119-L123 VanDerWaalsContact O-CG 3.3Å; Y119-L123 WeakPolarHBondContact O-CG 3.38Å; Y119-L123 PolarHBondContact O-N 3.02Å; V120-L123 PolarHBondContact O-N 3.32Å; L123-C126 PolarHBondContact O-SG 3.02Å; L123-C126 VanDerWaalsContact O-SG 3.36Å; L123-W161 HydrophobicContact CD1-CZ3 4.3Å; L123-W161 HydrophobicContact CD2-CD2 4.3Å; L123-W161 HydrophobicContact CD2-CE3 3.81Å; L123-W161 HydrophobicContact CD2-CH2 3.94Å; L123-W161 HydrophobicContact CD2-CZ2 4.4Å; L123-W161 HydrophobicContact CD2-CZ3 3.6Å; L123-W161 HydrophobicContact CG-CE3 3.9Å; L123-W161 HydrophobicContact CG-CH2 4.29Å; L123-W161 HydrophobicContact CG-CZ3 3.58Å; L123-L590 HydrophobicContact CD1-CD2 3.92Å; L123-L590 HydrophobicContact CD1-CG 4.21Å; L123-L590 HydrophobicContact CD2-CD2 4.12Å; L123-L593 HydrophobicContact CD2-CD1 4.06Å; L123-L593 HydrophobicContact CD2-CG 4.18Å; L123-L593 WeakPolarHBondContact O-CA 3.43Å; L123-G594 PolarHBondContact O-N 3.06Å
124	V	82.2	Confident	74.4	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-76	-42	-175.1	168.6	0	0	0	0	111.3	K86 I91 V120 N121 G122 C126 H592 K595	K86-V124 HydrophobicContact CB-CG1 4.06Å; I91-V124 HydrophobicContact CD1-CB 4.05Å; I91-V124 HydrophobicContact CD1-CG1 3.62Å; I91-V124 HydrophobicContact CD1-CG2 3.24Å; V120-V124 HydrophobicContact CG1-CG2 3.99Å; V120-V124 VanDerWaalsContact O-CB 3.23Å; V120-V124 WeakPolarHBondContact O-CB 3.37Å; V120-V124 WeakPolarHBondContact O-CG2 3.44Å; V120-V124 PolarHBondContact O-N 3.44Å; N121-V124 PolarHBondContact O-N 3.29Å; G122-V124 VanDerWaalsContact C-N 3.35Å; G122-V124 PolarHBondContact O-N 2.97Å; V124-C126 VanDerWaalsContact C-N 3.33Å; V124-H592 HydrophobicContact CG2-CB 4.19Å; V124-K595 HydrophobicContact CG1-CG 4.24Å; V124-K595 WeakPolarHBondContact O-CG 3.24Å; V124-K595 PolarHBondContact O-N 2.76Å
125	N	80.6	Confident	73.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.118	C	C	.	.	S	Bend	trans	-95.4	18	-179.6	-62.8	-60.1	0	0	0	113.1	P85 K86 N121 G127 F128 V162 K595	P85-N125 WeakPolarHBondContact CA-OD1 3.2Å; K86-N125 PolarHBondContact N-OD1 3.05Å; K86-N125 PolarHBondContact O-ND2 2.99Å; N121-N125 PolarHBondContact O-N 3.04Å; N121-N125 PolarHBondContact O-ND2 3.31Å; N121-N125 PolarHBondContact OD1-ND2 3.23Å; N125-G127 PolarHBondContact O-N 2.66Å; N125-F128 PolarHBondContact O-N 2.9Å; N125-V162 HydrophobicContact CB-CG2 4.43Å; N125-K595 WeakPolarHBondContact OD1-CE 3.3Å; N125-K595 PolarHBondContact OD1-NZ 3.48Å
126	C	75.8	Confident	72.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	125.9	174.2	-85.6	0	0	0	0	113.3	G122 L123 V124 F128 W161 L593 L598	G122-C126 PolarHBondContact O-N 3.48Å; G122-C126 VanDerWaalsContact O-N 3.14Å; G122-C126 PolarHBondContact O-SG 3.27Å; L123-C126 PolarHBondContact O-SG 3.02Å; L123-C126 VanDerWaalsContact O-SG 3.36Å; V124-C126 VanDerWaalsContact C-N 3.33Å; C126-F128 WeakPolarHBondContact O-CD2 3.26Å; C126-F128 WeakPolarHBondContact O-CE2 3.27Å; C126-F128 PolarHBondContact O-N 3.22Å; C126-W161 VanDerWaalsContact CA-O 3.26Å; C126-W161 WeakPolarHBondContact CA-O 3.35Å; C126-L593 HydrophobicContact CB-CD2 4.48Å; C126-L598 HydrophobicContact CB-CD1 3.47Å; C126-L598 VanDerWaalsContact CB-CD1 3.47Å
127	G	72	Confident	70.9	Confident	9 Å²	9	35.1 Å²	35.1	9%	0.093	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	2.5	175.4	0	0	0	0	0	116.4	F73 N125 W161 V162	F73-G127 WeakPolarHBondContact CD1-O 3.45Å; F73-G127 WeakPolarHBondContact CE1-O 3.38Å; N125-G127 PolarHBondContact O-N 2.66Å; G127-W161 PolarHBondContact N-O 3.4Å; G127-V162 CarbonylContact C-O 3.55Å; G127-V162 WeakPolarHBondContact CA-O 3.3Å; G127-V162 PolarHBondContact N-O 2.72Å; G127-V162 VanDerWaalsContact N-O 3.15Å
128	F	69.3	Low	69.7	Low	3 Å²	3	37.8 Å²	37.8	1%	0.013	20%	0.196	C	C	.	.	S	Bend	trans	-92.4	-4.1	-180	-68.7	-75.1	0	0	0	113.8	F73 I82 M83 N125 C126 K130 V162 K595 T597	F73-F128 HydrophobicContact CE1-CD1 4.33Å; F73-F128 HydrophobicContact CE1-CD2 4.37Å; F73-F128 HydrophobicContact CE1-CE1 4.06Å; F73-F128 HydrophobicContact CE1-CE2 4.11Å; F73-F128 HydrophobicContact CE1-CG 4.47Å; F73-F128 AromaticContact CE1-CZ 3.93Å; F73-F128 HydrophobicContact CE1-CZ 3.93Å; F73-F128 HydrophobicContact CZ-CE1 4.44Å; F73-F128 HydrophobicContact CZ-CE2 4.09Å; F73-F128 AromaticContact CZ-CZ 3.91Å; F73-F128 HydrophobicContact CZ-CZ 3.91Å; I82-F128 HydrophobicContact CB-CE1 4.34Å; I82-F128 HydrophobicContact CB-CZ 4.44Å; I82-F128 HydrophobicContact CG2-CE1 3.66Å; I82-F128 HydrophobicContact CG2-CE2 4.16Å; I82-F128 HydrophobicContact CG2-CZ 3.38Å; M83-F128 HydrophobicContact SD-CD1 4.22Å; N125-F128 PolarHBondContact O-N 2.9Å; C126-F128 WeakPolarHBondContact O-CD2 3.26Å; C126-F128 WeakPolarHBondContact O-CE2 3.27Å; C126-F128 PolarHBondContact O-N 3.22Å; F128-K130 PolarHBondContact O-N 2.9Å; F128-V162 PolarHBondContact N-O 3.43Å; F128-K595 HydrophobicContact CD2-CD 4.37Å; F128-K595 HydrophobicContact CE2-CD 4.05Å; F128-K595 HydrophobicContact CE2-CG 4.39Å; F128-K595 HydrophobicContact CZ-CD 4.45Å; F128-T597 HydrophobicContact CZ-CG2 4.31Å
129	G	63.5	Low	68	Low	20 Å²	20	47 Å²	47	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	65.1	-0.4	172.6	0	0	0	0	0	116.6	Q135 V162	G129-Q135 PolarHBondContact O-NE2 2.97Å; G129-V162 PolarHBondContact N-O 3.04Å; G129-V162 VanDerWaalsContact N-O 3.09Å
130	K	65.9	Low	66.2	Low	129 Å²	129	54.5 Å²	54.5	56%	0.561	27%	0.271	S	S	*	.			trans	-132.3	126.5	-178.5	-68.8	-175.8	-179.9	177.6	0	111.5	F128	F128-K130 PolarHBondContact O-N 2.9Å
131	E	68.7	Low	65.1	Low	3 Å²	3	55.1 Å²	55.1	1%	0.014	27%	0.274	C	S	.	.			trans	-139.7	124.1	-179	-167.8	-154.6	138.8	0	0	110.5	N121 L133 L134 Q135 V162	N121-E131 WeakPolarHBondContact ND2-CG 3.41Å; N121-E131 PolarHBondContact ND2-OE1 3.48Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.33Å; E131-L134 WeakPolarHBondContact OE1-CG 3.49Å; E131-Q135 WeakPolarHBondContact O-CB 3.26Å; E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-OE1 3Å; E131-V162 HydrophobicContact CB-CG1 4.1Å; E131-V162 HydrophobicContact CB-CG2 4.25Å; E131-V162 HydrophobicContact CG-CG2 4.4Å
132	K	60	Low	64	Low	147 Å²	147	59.2 Å²	59.2	64%	0.639	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.7	-173.8	-167	171.1	177.3	-176.7	0	115.1	L87	L87-K132 HydrophobicContact CD2-CB 4.14Å; L87-K132 HydrophobicContact CD2-CD 4.38Å
133	L	60.2	Low	63.3	Low	63 Å²	63	62.6 Å²	62.6	33%	0.33	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-19.1	-175	-58.7	-175	0	0	0	114.8	L87 P88 N121 E131	L87-L133 HydrophobicContact CD2-CD2 3.95Å; L87-L133 HydrophobicContact CD2-CG 4.22Å; P88-L133 HydrophobicContact CG-CD1 4.32Å; N121-L133 WeakPolarHBondContact ND2-CD1 3.44Å; N121-L133 WeakPolarHBondContact ND2-CG 3.31Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.33Å
134	L	61.3	Low	62.5	Low	7 Å²	7	63.6 Å²	63.6	4%	0.037	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-3.7	-172.7	-68.4	175.1	0	0	0	115.2	E131 E136 V141 T155 L159 Y177	E131-L134 WeakPolarHBondContact OE1-CG 3.49Å; L134-E136 VanDerWaalsContact C-N 3.33Å; L134-V141 HydrophobicContact CD2-CG1 4.04Å; L134-T155 HydrophobicContact CD1-CG2 3.88Å; L134-T155 WeakPolarHBondContact CD1-O 3.48Å; L134-T155 HydrophobicContact CD2-CG2 3.88Å; L134-L159 HydrophobicContact CB-CD2 3.72Å; L134-L159 HydrophobicContact CB-CG 4.41Å; L134-L159 HydrophobicContact CD1-CD2 4.04Å; L134-L159 HydrophobicContact CD1-CG 4.02Å; L134-Y177 PolarHBondContact O-OH 3Å; L134-Y177 VanDerWaalsContact O-OH 3.08Å
135	Q	58.4	Low	61.7	Low	84 Å²	84	68.2 Å²	68.2	39%	0.393	35%	0.35	S	S	.	.			trans	-84.7	-1	178.1	-70.7	-174.6	-40.4	0	0	114.7	G129 E131	G129-Q135 PolarHBondContact O-NE2 2.97Å; E131-Q135 WeakPolarHBondContact O-CB 3.26Å; E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-OE1 3Å
136	E	53.2	Low	61.2	Low	141 Å²	141	74.1 Å²	74.1	66%	0.659	38%	0.376	S	S	*	.	S	Bend	trans	-80.2	154.8	169.5	-65.4	-174	167.9	0	0	111.3	L134	L134-E136 VanDerWaalsContact C-N 3.33Å
137	T	45.7	Very low	61	Low	112 Å²	112	74.5 Å²	74.5	69%	0.687	38%	0.378	S	S	*	.			trans	-61.8	144	-160.9	28.9	0	0	0	0	114.5	K139 E140	T137-K139 PolarHBondContact O-N 3.5Å; T137-E140 PolarHBondContact O-N 3.21Å; T137-E140 VanDerWaalsContact O-N 3.1Å
138	P	52.4	Low	61.2	Low	67 Å²	67	79.6 Å²	79.6	44%	0.435	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	11.2	-162.3	29.6	-38.7	0	0	0	116.3	Y177	P138-Y177 HydrophobicContact CB-CE1 4.5Å
139	K	45.5	Very low	61.6	Low	195 Å²	195	85.1 Å²	85.1	85%	0.848	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-20.3	174.6	-66.5	-172.7	177.2	-177.6	0	113.4	T137	T137-K139 PolarHBondContact O-N 3.5Å
140	E	45.3	Very low	62.2	Low	160 Å²	160	86.7 Å²	86.7	75%	0.748	42%	0.424	S	S	*	.			trans	-135.1	57.6	-175.4	-68.9	-173.9	-153.4	0	0	111	T137 P142	T137-E140 PolarHBondContact O-N 3.21Å; T137-E140 VanDerWaalsContact O-N 3.1Å; E140-P142 VanDerWaalsContact O-CD 3.26Å; E140-P142 WeakPolarHBondContact O-CD 3.18Å
141	V	59.1	Low	62.8	Low	12 Å²	12	80.6 Å²	80.6	7%	0.073	40%	0.398	C	S	.	.			trans	-105.8	92.4	162.1	-175.4	0	0	0	0	108.2	L134 W143 L144 C145	L134-V141 HydrophobicContact CD2-CG1 4.04Å; V141-W143 HydrophobicContact CG1-CB 3.84Å; V141-W143 PolarHBondContact O-N 3.42Å; V141-L144 HydrophobicContact CB-CB 4.32Å; V141-L144 HydrophobicContact CG1-CB 4.26Å; V141-L144 PolarHBondContact O-N 3.27Å; V141-C145 PolarHBondContact O-N 3.34Å
142	P	61.6	Low	63.4	Low	87 Å²	87	81.8 Å²	81.8	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-56.2	-19.4	177.1	-26.5	34.4	0	0	0	113.7	E140 K146	E140-P142 VanDerWaalsContact O-CD 3.26Å; E140-P142 WeakPolarHBondContact O-CD 3.18Å; P142-K146 VanDerWaalsContact O-CD 3.23Å; P142-K146 WeakPolarHBondContact O-CD 3.32Å; P142-K146 WeakPolarHBondContact O-CG 3.43Å; P142-K146 PolarHBondContact O-N 3.44Å
143	W	66.4	Low	64.5	Low	71 Å²	71	75 Å²	75	27%	0.269	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-50.9	173.4	-153.9	-111.4	0	0	0	112.3	N114 A117 V141 C145 K146 Q147	N114-W143 HydrophobicContact CB-CH2 3.93Å; N114-W143 HydrophobicContact CB-CZ2 3.49Å; N114-W143 VanDerWaalsContact CB-CZ2 3.49Å; N114-W143 VanDerWaalsContact OD1-CH2 3.31Å; N114-W143 WeakPolarHBondContact OD1-CH2 3.37Å; A117-W143 HydrophobicContact CB-CZ2 4.06Å; V141-W143 HydrophobicContact CG1-CB 3.84Å; V141-W143 PolarHBondContact O-N 3.42Å; W143-C145 VanDerWaalsContact C-N 3.33Å; W143-C145 PolarHBondContact O-N 2.93Å; W143-K146 WeakPolarHBondContact O-CB 3.45Å; W143-K146 PolarHBondContact O-N 3.14Å; W143-K146 VanDerWaalsContact O-N 3.08Å; W143-Q147 PolarHBondContact O-N 2.84Å
144	L	66.3	Low	65.5	Low	23 Å²	23	72.2 Å²	72.2	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-39	-178.4	-172.3	64.4	0	0	0	111.4	V141 K146 Q147 K152 T155 V156 Y177 T185	V141-L144 HydrophobicContact CB-CB 4.32Å; V141-L144 HydrophobicContact CG1-CB 4.26Å; V141-L144 PolarHBondContact O-N 3.27Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.23Å; L144-Q147 PolarHBondContact O-N 2.94Å; L144-K152 HydrophobicContact CD1-CB 3.93Å; L144-K152 HydrophobicContact CD1-CG 3.99Å; L144-K152 HydrophobicContact CG-CG 4.47Å; L144-K152 VanDerWaalsContact O-CE 3.32Å; L144-K152 WeakPolarHBondContact O-CE 3.47Å; L144-T155 HydrophobicContact CD1-CG2 4.17Å; L144-V156 HydrophobicContact CD1-CG2 4.19Å; L144-Y177 HydrophobicContact CD2-CE1 4.45Å; L144-T185 HydrophobicContact CD2-CG2 4.21Å
145	C	63.9	Low	66.5	Low	98 Å²	98	71.9 Å²	71.9	66%	0.662	36%	0.358	S	S	*	.	H	α-helix	trans	-67.2	-22.2	175.5	-59.6	0	0	0	0	113.9	V141 W143	V141-C145 PolarHBondContact O-N 3.34Å; W143-C145 VanDerWaalsContact C-N 3.33Å; W143-C145 PolarHBondContact O-N 2.93Å
146	K	71	Confident	67.7	Low	125 Å²	125	68 Å²	68	54%	0.543	34%	0.34	S	S	.	.	H	α-helix	trans	-82.8	-12.4	175.2	-75	166.6	-171.5	176.6	0	113.5	P142 W143 L144	P142-K146 VanDerWaalsContact O-CD 3.23Å; P142-K146 WeakPolarHBondContact O-CD 3.32Å; P142-K146 WeakPolarHBondContact O-CG 3.43Å; P142-K146 PolarHBondContact O-N 3.44Å; W143-K146 WeakPolarHBondContact O-CB 3.45Å; W143-K146 PolarHBondContact O-N 3.14Å; W143-K146 VanDerWaalsContact O-N 3.08Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.23Å
147	Q	71.3	Confident	69.3	Low	9 Å²	9	61.3 Å²	61.3	4%	0.042	31%	0.309	C	S	.	.	S	Bend	trans	-82.7	142.3	-180	-59.6	-70.1	38	0	0	111.7	A111 S118 W143 L144 K152 T155	A111-Q147 PolarHBondContact O-OE1 2.82Å; S118-Q147 PolarHBondContact OG-NE2 3.21Å; W143-Q147 PolarHBondContact O-N 2.84Å; L144-Q147 PolarHBondContact O-N 2.94Å; Q147-K152 HydrophobicContact CB-CG 3.83Å; Q147-K152 WeakPolarHBondContact O-CE 3.22Å; Q147-T155 PolarHBondContact NE2-OG1 3.13Å; Q147-T155 VanDerWaalsContact NE2-OG1 3.17Å
148	K	75.9	Confident	71.1	Confident	115 Å²	115	56 Å²	56	50%	0.5	28%	0.276	S	S	.	.			trans	-66	159.2	165.9	-65.1	167.7	-175.4	162.1	0	109.4	D109 A111 F150 G151 K152	D109-K148 IonicContact OD1-NZ 2.43Å; D109-K148 PolarHBondContact OD1-NZ 2.94Å; D109-K148 IonicContact OD2-NZ 2.72Å; D109-K148 PolarHBondContact OD2-NZ 3.02Å; D109-K148 VanDerWaalsContact OD2-NZ 3.12Å; A111-K148 HydrophobicContact CB-CD 3.77Å; A111-K148 VanDerWaalsContact CB-CE 3.45Å; A111-K148 HydrophobicContact CB-CG 4.02Å; K148-F150 PolarHBondContact O-N 3.1Å; K148-G151 CarbonylContact O-C 3.48Å; K148-G151 WeakPolarHBondContact O-CA 3.22Å; K148-G151 PolarHBondContact O-N 2.82Å; K148-K152 PolarHBondContact O-N 2.77Å
149	E	78.1	Confident	72.5	Confident	119 Å²	119	53 Å²	53	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-38.8	-64.6	-175.4	-74.5	163.8	-158.8	0	0	115.6	G151 K152 M153 H184	E149-G151 PolarHBondContact O-N 3.41Å; E149-K152 WeakPolarHBondContact O-CB 3.3Å; E149-K152 PolarHBondContact O-N 2.97Å; E149-M153 PolarHBondContact O-N 3.45Å; E149-H184 WeakPolarHBondContact O-CB 3.47Å; E149-H184 IonicContact OE2-NE2 3.14Å
150	F	76.7	Confident	74.3	Confident	53 Å²	53	43.7 Å²	43.7	23%	0.232	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-31.8	176.6	-64.4	-80.5	0	0	0	112.9	K148 K152 M153 S154 R635	K148-F150 PolarHBondContact O-N 3.1Å; F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.17Å; F150-M153 WeakPolarHBondContact O-CB 3.25Å; F150-M153 PolarHBondContact O-N 3.29Å; F150-S154 PolarHBondContact O-N 3.35Å; F150-S154 PolarHBondContact O-OG 3.15Å; F150-R635 WeakPolarHBondContact CD1-O 3.36Å; F150-R635 HydrophobicContact CE1-CB 4.47Å; F150-R635 HydrophobicContact CE2-CB 4.42Å; F150-R635 HydrophobicContact CE2-CG 4.23Å; F150-R635 HydrophobicContact CZ-CB 4.27Å; F150-R635 HydrophobicContact CZ-CG 4.4Å
151	G	76.7	Confident	76.2	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-29.7	175.3	0	0	0	0	0	113.8	L115 K148 E149 T155	L115-G151 VanDerWaalsContact CD2-CA 3.41Å; K148-G151 CarbonylContact O-C 3.48Å; K148-G151 WeakPolarHBondContact O-CA 3.22Å; K148-G151 PolarHBondContact O-N 2.82Å; E149-G151 PolarHBondContact O-N 3.41Å; G151-T155 VanDerWaalsContact O-CB 3.27Å; G151-T155 WeakPolarHBondContact O-CB 3.41Å; G151-T155 PolarHBondContact O-N 3.36Å; G151-T155 PolarHBondContact O-OG1 3.44Å
152	K	82.2	Confident	77.4	Confident	29 Å²	29	35.6 Å²	35.6	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-44.1	171.7	-65.1	-176.4	177.2	173.7	0	111.3	L144 Q147 K148 E149 F150 S154 T155 V156 E182 T185	L144-K152 HydrophobicContact CD1-CB 3.93Å; L144-K152 HydrophobicContact CD1-CG 3.99Å; L144-K152 HydrophobicContact CG-CG 4.47Å; L144-K152 VanDerWaalsContact O-CE 3.32Å; L144-K152 WeakPolarHBondContact O-CE 3.47Å; Q147-K152 HydrophobicContact CB-CG 3.83Å; Q147-K152 WeakPolarHBondContact O-CE 3.22Å; K148-K152 PolarHBondContact O-N 2.77Å; E149-K152 WeakPolarHBondContact O-CB 3.3Å; E149-K152 PolarHBondContact O-N 2.97Å; F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.17Å; K152-S154 PolarHBondContact O-N 3.26Å; K152-T155 PolarHBondContact O-N 3.12Å; K152-V156 WeakPolarHBondContact O-CG2 3.33Å; K152-V156 PolarHBondContact O-N 3.19Å; K152-E182 WeakPolarHBondContact CD-OE2 3.28Å; K152-E182 WeakPolarHBondContact CE-OE2 3.33Å; K152-E182 IonicContact NZ-OE1 2.69Å; K152-E182 PolarHBondContact NZ-OE1 3.37Å; K152-E182 IonicContact NZ-OE2 3.62Å; K152-E182 PolarHBondContact NZ-OE2 2.95Å; K152-T185 HydrophobicContact CB-CG2 4.03Å; K152-T185 HydrophobicContact CD-CG2 4.35Å
153	M	82.8	Confident	78.4	Confident	5 Å²	5	31.5 Å²	31.5	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-55.4	-50.9	172.7	177.1	-179.6	172.2	0	0	110.9	E149 F150 T155 V156 A157 H184 A187 G188 L191 V221 A225 Y638	E149-M153 PolarHBondContact O-N 3.45Å; F150-M153 WeakPolarHBondContact O-CB 3.25Å; F150-M153 PolarHBondContact O-N 3.29Å; M153-T155 PolarHBondContact O-N 3.39Å; M153-V156 PolarHBondContact O-N 3.24Å; M153-A157 WeakPolarHBondContact O-CB 3.41Å; M153-A157 PolarHBondContact O-N 3.48Å; M153-H184 VanDerWaalsContact CA-O 3.22Å; M153-H184 WeakPolarHBondContact CA-O 3.25Å; M153-H184 HydrophobicContact CB-CB 4.32Å; M153-H184 VanDerWaalsContact CB-O 3.32Å; M153-H184 WeakPolarHBondContact CB-O 3.12Å; M153-A187 HydrophobicContact CE-CB 4.41Å; M153-A187 HydrophobicContact CG-CB 4.23Å; M153-A187 HydrophobicContact SD-CB 4.1Å; M153-G188 VanDerWaalsContact O-CA 3.25Å; M153-G188 WeakPolarHBondContact O-CA 3.48Å; M153-L191 HydrophobicContact CE-CD1 3.91Å; M153-V221 HydrophobicContact SD-CG1 3.84Å; M153-A225 HydrophobicContact CE-CB 3.81Å; M153-Y638 HydrophobicContact CE-CD1 4.16Å; M153-Y638 HydrophobicContact CE-CG 4.27Å; M153-Y638 HydrophobicContact SD-CD1 4.45Å
154	S	80.9	Confident	79	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-39	178.5	-61.1	0	0	0	0	113.6	Y119 F150 K152 A157 T158	Y119-S154 VanDerWaalsContact OH-CB 3.26Å; Y119-S154 WeakPolarHBondContact OH-CB 3.2Å; Y119-S154 PolarHBondContact OH-OG 3.49Å; F150-S154 PolarHBondContact O-N 3.35Å; F150-S154 PolarHBondContact O-OG 3.15Å; K152-S154 PolarHBondContact O-N 3.26Å; S154-A157 PolarHBondContact O-N 3.31Å; S154-T158 PolarHBondContact O-N 2.94Å; S154-T158 PolarHBondContact O-OG1 3.28Å
155	T	82.4	Confident	79.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.8	-37.2	179.8	-57.7	0	0	0	0	112.2	S118 L134 L144 Q147 G151 K152 M153 T158	S118-T155 PolarHBondContact OG-OG1 2.78Å; L134-T155 HydrophobicContact CD1-CG2 3.88Å; L134-T155 WeakPolarHBondContact CD1-O 3.48Å; L134-T155 HydrophobicContact CD2-CG2 3.88Å; L144-T155 HydrophobicContact CD1-CG2 4.17Å; Q147-T155 PolarHBondContact NE2-OG1 3.13Å; Q147-T155 VanDerWaalsContact NE2-OG1 3.17Å; G151-T155 VanDerWaalsContact O-CB 3.27Å; G151-T155 WeakPolarHBondContact O-CB 3.41Å; G151-T155 PolarHBondContact O-N 3.36Å; G151-T155 PolarHBondContact O-OG1 3.44Å; K152-T155 PolarHBondContact O-N 3.12Å; M153-T155 PolarHBondContact O-N 3.39Å; T155-T158 WeakPolarHBondContact CA-OG1 3.46Å; T155-T158 PolarHBondContact O-OG1 2.93Å
156	V	84.9	Confident	80.3	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-71.9	-41.5	172.8	178.9	0	0	0	0	110.3	L144 K152 M153 T158 L159 Y177 T185	L144-V156 HydrophobicContact CD1-CG2 4.19Å; K152-V156 WeakPolarHBondContact O-CG2 3.33Å; K152-V156 PolarHBondContact O-N 3.19Å; M153-V156 PolarHBondContact O-N 3.24Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 3.41Å; V156-L159 VanDerWaalsContact O-CB 3.3Å; V156-L159 WeakPolarHBondContact O-CB 3.49Å; V156-L159 PolarHBondContact O-N 3Å; V156-L159 VanDerWaalsContact O-N 3.1Å; V156-Y177 HydrophobicContact CG1-CD1 4.17Å; V156-Y177 HydrophobicContact CG1-CD2 4.2Å; V156-Y177 HydrophobicContact CG1-CG 3.76Å; V156-Y177 HydrophobicContact CG2-CD1 3.82Å; V156-Y177 HydrophobicContact CG2-CE1 4.35Å; V156-Y177 HydrophobicContact CG2-CG 4.27Å; V156-T185 HydrophobicContact CG2-CG2 4.34Å
157	A	85.4	Confident	80.5	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-29.7	178	0	0	0	0	0	113.6	M153 S154 L159 G160 G188 L191 F641	M153-A157 WeakPolarHBondContact O-CB 3.41Å; M153-A157 PolarHBondContact O-N 3.48Å; S154-A157 PolarHBondContact O-N 3.31Å; A157-L159 PolarHBondContact O-N 3.49Å; A157-G160 PolarHBondContact O-N 3.19Å; A157-G188 WeakPolarHBondContact CA-O 3.45Å; A157-L191 HydrophobicContact CB-CD2 3.74Å; A157-F641 HydrophobicContact CB-CD2 4.35Å; A157-F641 HydrophobicContact CB-CE1 3.92Å; A157-F641 HydrophobicContact CB-CE2 3.58Å; A157-F641 HydrophobicContact CB-CZ 3.34Å
158	T	83.8	Confident	80.8	Confident	1 Å²	1	25 Å²	25	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-20	174	39.7	0	0	0	0	114.4	Y119 S154 T155 V156 G160 W161 V162 F641	Y119-T158 HydrophobicContact CD1-CG2 3.72Å; Y119-T158 HydrophobicContact CE1-CG2 4.22Å; Y119-T158 HydrophobicContact CG-CG2 4.42Å; S154-T158 PolarHBondContact O-N 2.94Å; S154-T158 PolarHBondContact O-OG1 3.28Å; T155-T158 WeakPolarHBondContact CA-OG1 3.46Å; T155-T158 PolarHBondContact O-OG1 2.93Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 3.41Å; T158-G160 VanDerWaalsContact C-N 3.25Å; T158-G160 PolarHBondContact O-N 2.75Å; T158-W161 HydrophobicContact CG2-CE3 3.96Å; T158-W161 HydrophobicContact CG2-CZ3 4.03Å; T158-W161 PolarHBondContact O-N 2.95Å; T158-V162 PolarHBondContact O-N 2.87Å; T158-F641 HydrophobicContact CG2-CE1 4.44Å; T158-F641 HydrophobicContact CG2-CZ 4.16Å
159	L	82.3	Confident	81.1	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-33.8	169.9	-71.5	165.5	0	0	0	111.8	L134 V156 A157 W161 V162 L163 L174 Y177	L134-L159 HydrophobicContact CB-CD2 3.72Å; L134-L159 HydrophobicContact CB-CG 4.41Å; L134-L159 HydrophobicContact CD1-CD2 4.04Å; L134-L159 HydrophobicContact CD1-CG 4.02Å; V156-L159 VanDerWaalsContact O-CB 3.3Å; V156-L159 WeakPolarHBondContact O-CB 3.49Å; V156-L159 PolarHBondContact O-N 3Å; V156-L159 VanDerWaalsContact O-N 3.1Å; A157-L159 PolarHBondContact O-N 3.49Å; L159-W161 PolarHBondContact O-N 3.2Å; L159-V162 PolarHBondContact O-N 3.39Å; L159-V162 VanDerWaalsContact O-N 3.12Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 PolarHBondContact O-N 2.98Å; L159-L174 HydrophobicContact CB-CD2 4.14Å; L159-Y177 HydrophobicContact CD1-CD2 4.03Å; L159-Y177 HydrophobicContact CD1-CE2 3.36Å
160	G	83.5	Confident	81.1	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.6	-28.3	176.7	0	0	0	0	0	113.2	A157 T158 L163 L164 V195	A157-G160 PolarHBondContact O-N 3.19Å; T158-G160 VanDerWaalsContact C-N 3.25Å; T158-G160 PolarHBondContact O-N 2.75Å; G160-L163 CarbonylContact O-C 3.51Å; G160-L164 PolarHBondContact O-N 3.45Å; G160-L164 VanDerWaalsContact O-N 3.13Å; G160-V195 VanDerWaalsContact C-CG1 3.47Å
161	W	84.6	Confident	81.3	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-74.1	-39.5	171.9	-76.8	-21.6	0	0	0	112.8	Y119 L123 C126 G127 T158 L159 L163 L164 V195 I640 F641 I643 T644	Y119-W161 HydrophobicContact CD1-CH2 4.01Å; Y119-W161 AromaticContact CD1-CZ3 3.78Å; Y119-W161 HydrophobicContact CD1-CZ3 3.78Å; Y119-W161 HydrophobicContact CE1-CH2 4.32Å; Y119-W161 HydrophobicContact CE1-CZ3 4.45Å; L123-W161 HydrophobicContact CD1-CZ3 4.3Å; L123-W161 HydrophobicContact CD2-CD2 4.3Å; L123-W161 HydrophobicContact CD2-CE3 3.81Å; L123-W161 HydrophobicContact CD2-CH2 3.94Å; L123-W161 HydrophobicContact CD2-CZ2 4.4Å; L123-W161 HydrophobicContact CD2-CZ3 3.6Å; L123-W161 HydrophobicContact CG-CE3 3.9Å; L123-W161 HydrophobicContact CG-CH2 4.29Å; L123-W161 HydrophobicContact CG-CZ3 3.58Å; C126-W161 VanDerWaalsContact CA-O 3.26Å; C126-W161 WeakPolarHBondContact CA-O 3.35Å; G127-W161 PolarHBondContact N-O 3.4Å; T158-W161 HydrophobicContact CG2-CE3 3.96Å; T158-W161 HydrophobicContact CG2-CZ3 4.03Å; T158-W161 PolarHBondContact O-N 2.95Å; L159-W161 PolarHBondContact O-N 3.2Å; W161-L163 PolarHBondContact O-N 2.85Å; W161-L164 WeakPolarHBondContact O-CB 3.19Å; W161-L164 PolarHBondContact O-N 3.34Å; W161-V195 HydrophobicContact CG-CG1 4.27Å; W161-I640 HydrophobicContact CH2-CB 4.42Å; W161-I640 HydrophobicContact CH2-CG2 3.69Å; W161-I640 HydrophobicContact CZ2-CG2 4.06Å; W161-F641 HydrophobicContact CD2-CD1 4.18Å; W161-F641 AromaticContact CD2-CE1 3.87Å; W161-F641 HydrophobicContact CD2-CE1 3.87Å; W161-F641 AromaticContact CE2-CD1 3.43Å; W161-F641 VanDerWaalsContact CE2-CD1 3.43Å; W161-F641 AromaticContact CE2-CE1 3.56Å; W161-F641 HydrophobicContact CE3-CE1 4.21Å; W161-F641 HydrophobicContact CG-CE1 4.48Å; W161-F641 HydrophobicContact CH2-CD1 4.21Å; W161-F641 AromaticContact CH2-CE1 3.98Å; W161-F641 HydrophobicContact CH2-CE1 3.98Å; W161-F641 AromaticContact CZ2-CD1 3.45Å; W161-F641 HydrophobicContact CZ2-CD1 3.45Å; W161-F641 VanDerWaalsContact CZ2-CD1 3.45Å; W161-F641 AromaticContact CZ2-CE1 3.62Å; W161-F641 HydrophobicContact CZ2-CE1 3.62Å; W161-F641 HydrophobicContact CZ2-CG 4.23Å; W161-F641 HydrophobicContact CZ3-CE1 4.27Å; W161-F641 AromaticContact NE1-CD1 3.58Å; W161-I643 HydrophobicContact CZ2-CG2 4.03Å; W161-T644 PolarHBondContact NE1-OG1 3.02Å
162	V	84.7	Confident	81.7	Confident	1 Å²	1	18 Å²	18	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-33.5	175.6	177.4	0	0	0	0	111.2	N125 G127 F128 G129 E131 T158 L159	N125-V162 HydrophobicContact CB-CG2 4.43Å; G127-V162 CarbonylContact C-O 3.55Å; G127-V162 WeakPolarHBondContact CA-O 3.3Å; G127-V162 PolarHBondContact N-O 2.72Å; G127-V162 VanDerWaalsContact N-O 3.15Å; F128-V162 PolarHBondContact N-O 3.43Å; G129-V162 PolarHBondContact N-O 3.04Å; G129-V162 VanDerWaalsContact N-O 3.09Å; E131-V162 HydrophobicContact CB-CG1 4.1Å; E131-V162 HydrophobicContact CB-CG2 4.25Å; E131-V162 HydrophobicContact CG-CG2 4.4Å; T158-V162 PolarHBondContact O-N 2.87Å; L159-V162 PolarHBondContact O-N 3.39Å; L159-V162 VanDerWaalsContact O-N 3.12Å
163	L	82.1	Confident	81.7	Confident	1 Å²	1	18 Å²	18	1%	0.005	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	19.7	-175.6	-63.1	157.3	0	0	0	112.7	L159 G160 W161 W165 D166 Q173 V196	L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 PolarHBondContact O-N 2.98Å; G160-L163 CarbonylContact O-C 3.51Å; W161-L163 PolarHBondContact O-N 2.85Å; L163-W165 PolarHBondContact O-N 3.06Å; L163-D166 PolarHBondContact O-N 3.33Å; L163-D166 VanDerWaalsContact O-N 3.09Å; L163-Q173 HydrophobicContact CD1-CB 3.86Å; L163-Q173 HydrophobicContact CD1-CG 4.4Å; L163-V196 HydrophobicContact CB-CG2 4.04Å
164	L	79.9	Confident	81.6	Confident	5 Å²	5	17.8 Å²	17.8	3%	0.026	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	128.4	179	-176.6	65.2	0	0	0	111.2	G160 W161 D166 V195 C198 T644 I647	G160-L164 PolarHBondContact O-N 3.45Å; G160-L164 VanDerWaalsContact O-N 3.13Å; W161-L164 WeakPolarHBondContact O-CB 3.19Å; W161-L164 PolarHBondContact O-N 3.34Å; L164-D166 PolarHBondContact O-N 3.03Å; L164-V195 WeakPolarHBondContact CD1-O 3.48Å; L164-C198 HydrophobicContact CD1-CB 4.18Å; L164-T644 HydrophobicContact CD1-CG2 3.62Å; L164-I647 HydrophobicContact CD2-CB 4.42Å; L164-I647 HydrophobicContact CD2-CG2 3.9Å
165	W	77.4	Confident	81.7	Confident	13 Å²	13	20.4 Å²	20.4	5%	0.049	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-2.3	-176.1	-43	-44.8	0	0	0	116.9	L69 S70 F73 L163 V196 C198 V200 L598 P649	L69-W165 HydrophobicContact CD2-CD2 3.59Å; L69-W165 HydrophobicContact CD2-CE3 3.92Å; L69-W165 HydrophobicContact CD2-CG 3.9Å; L69-W165 HydrophobicContact CD2-CZ2 4.27Å; L69-W165 HydrophobicContact CD2-CZ3 4.4Å; L69-W165 HydrophobicContact CG-CD2 4.1Å; L69-W165 HydrophobicContact CG-CE3 3.96Å; L69-W165 HydrophobicContact CG-CG 4.49Å; L69-W165 HydrophobicContact CG-CZ3 4.44Å; S70-W165 WeakPolarHBondContact CB-O 3.32Å; F73-W165 HydrophobicContact CB-CZ3 4.48Å; F73-W165 HydrophobicContact CD2-CZ3 4.08Å; F73-W165 HydrophobicContact CE2-CZ3 4.5Å; F73-W165 HydrophobicContact CG-CZ3 4.2Å; L163-W165 PolarHBondContact O-N 3.06Å; W165-V196 PolarHBondContact N-O 3.23Å; W165-V196 VanDerWaalsContact N-O 3.13Å; W165-C198 VanDerWaalsContact CD1-O 3.28Å; W165-C198 PolarHBondContact NE1-O 3.23Å; W165-V200 HydrophobicContact CB-CG2 3.9Å; W165-V200 HydrophobicContact CG-CG2 4.28Å; W165-L598 HydrophobicContact CH2-CD2 3.75Å; W165-L598 HydrophobicContact CZ3-CD2 4.21Å; W165-P649 HydrophobicContact CH2-CB 4.32Å; W165-P649 HydrophobicContact CH2-CG 4.04Å; W165-P649 HydrophobicContact CZ3-CG 4.36Å
166	D	80.5	Confident	81.8	Confident	33 Å²	33	25.9 Å²	25.9	18%	0.176	14%	0.138	C	C	.	.			trans	-97.7	88.2	172.9	-175.8	-14.6	0	0	0	110.1	L163 L164 D168 T169 G170 V196	L163-D166 PolarHBondContact O-N 3.33Å; L163-D166 VanDerWaalsContact O-N 3.09Å; L164-D166 PolarHBondContact O-N 3.03Å; D166-D168 PolarHBondContact OD1-N 2.93Å; D166-T169 WeakPolarHBondContact OD1-CG2 3.49Å; D166-T169 PolarHBondContact OD1-N 3.23Å; D166-T169 PolarHBondContact OD1-OG1 3.08Å; D166-T169 WeakPolarHBondContact OD2-CB 3.33Å; D166-T169 VanDerWaalsContact OD2-CG2 3.31Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.26Å; D166-T169 PolarHBondContact OD2-OG1 3.44Å; D166-G170 WeakPolarHBondContact O-CA 3.24Å; D166-G170 PolarHBondContact O-N 3.43Å; D166-V196 WeakPolarHBondContact O-CG1 3.41Å
167	V	74.4	Confident	81.6	Confident	11 Å²	11	26.7 Å²	26.7	7%	0.067	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-48.1	-177.3	-177.3	0	0	0	0	111.2	L171 V200 P206	V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 WeakPolarHBondContact O-CB 3.49Å; V167-L171 WeakPolarHBondContact O-CD1 3.24Å; V167-L171 WeakPolarHBondContact O-CG 3.5Å; V167-L171 PolarHBondContact O-N 2.72Å; V167-L171 VanDerWaalsContact O-N 3.07Å; V167-V200 HydrophobicContact CG2-CB 4.38Å; V167-V200 HydrophobicContact CG2-CG1 3.97Å; V167-P206 HydrophobicContact CG1-CG 4.46Å
168	D	77.9	Confident	81.4	Confident	128 Å²	128	27.7 Å²	27.7	68%	0.684	15%	0.146	S	C	*	.	H	α-helix	trans	-73.5	-51.7	-170.2	-64.7	-28.3	0	0	0	112.5	D166 G170 S172	D166-D168 PolarHBondContact OD1-N 2.93Å; D168-G170 VanDerWaalsContact C-N 3.34Å; D168-S172 PolarHBondContact O-N 3Å
169	T	81.3	Confident	81.4	Confident	59 Å²	59	37.1 Å²	37.1	36%	0.362	18%	0.183	S	C	.	.	H	α-helix	trans	-77.3	-27.2	178.8	96.4	0	0	0	0	111.4	D166 S172 Q173	D166-T169 WeakPolarHBondContact OD1-CG2 3.49Å; D166-T169 PolarHBondContact OD1-N 3.23Å; D166-T169 PolarHBondContact OD1-OG1 3.08Å; D166-T169 WeakPolarHBondContact OD2-CB 3.33Å; D166-T169 VanDerWaalsContact OD2-CG2 3.31Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.26Å; D166-T169 PolarHBondContact OD2-OG1 3.44Å; T169-S172 PolarHBondContact O-OG 3.3Å; T169-Q173 WeakPolarHBondContact O-CG 3.36Å; T169-Q173 PolarHBondContact O-N 2.72Å; T169-Q173 PolarHBondContact O-NE2 3.41Å; T169-Q173 PolarHBondContact OG1-NE2 3.16Å
170	G	78.9	Confident	81.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-56.1	175.1	0	0	0	0	0	112.8	D166 D168 S172 Q173 L174	D166-G170 WeakPolarHBondContact O-CA 3.24Å; D166-G170 PolarHBondContact O-N 3.43Å; D168-G170 VanDerWaalsContact C-N 3.34Å; G170-S172 PolarHBondContact O-N 3.23Å; G170-Q173 PolarHBondContact O-N 2.89Å; G170-Q173 VanDerWaalsContact O-N 3.14Å; G170-L174 WeakPolarHBondContact O-CG 3.07Å; G170-L174 PolarHBondContact O-N 2.73Å
171	L	81.6	Confident	81.1	Confident	25 Å²	25	45.3 Å²	45.3	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-45.5	178.1	-69.5	170.3	0	0	0	111.5	V167 Q173 L174 D175 C193 P206	V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 WeakPolarHBondContact O-CB 3.49Å; V167-L171 WeakPolarHBondContact O-CD1 3.24Å; V167-L171 WeakPolarHBondContact O-CG 3.5Å; V167-L171 PolarHBondContact O-N 2.72Å; V167-L171 VanDerWaalsContact O-N 3.07Å; L171-Q173 PolarHBondContact O-N 3.25Å; L171-L174 PolarHBondContact O-N 2.71Å; L171-D175 WeakPolarHBondContact O-CB 3.31Å; L171-D175 PolarHBondContact O-N 3.05Å; L171-C193 HydrophobicContact CD2-CB 4.15Å; L171-P206 HydrophobicContact CD1-CB 4Å; L171-P206 HydrophobicContact CD1-CG 3.69Å
172	S	84.3	Confident	81.1	Confident	56 Å²	56	49.2 Å²	49.2	39%	0.392	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-20.1	178.8	82.2	0	0	0	0	114.9	D168 T169 G170 K176	D168-S172 PolarHBondContact O-N 3Å; T169-S172 PolarHBondContact O-OG 3.3Å; G170-S172 PolarHBondContact O-N 3.23Å; S172-K176 WeakPolarHBondContact O-CE 3.41Å; S172-K176 PolarHBondContact O-NZ 2.86Å
173	Q	81.5	Confident	81	Confident	31 Å²	31	51.3 Å²	51.3	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-90.8	-38.4	174.5	-74.7	176.3	79.2	0	0	111.6	L163 T169 G170 L171 Y177	L163-Q173 HydrophobicContact CD1-CB 3.86Å; L163-Q173 HydrophobicContact CD1-CG 4.4Å; T169-Q173 WeakPolarHBondContact O-CG 3.36Å; T169-Q173 PolarHBondContact O-N 2.72Å; T169-Q173 PolarHBondContact O-NE2 3.41Å; T169-Q173 PolarHBondContact OG1-NE2 3.16Å; G170-Q173 PolarHBondContact O-N 2.89Å; G170-Q173 VanDerWaalsContact O-N 3.14Å; L171-Q173 PolarHBondContact O-N 3.25Å; Q173-Y177 WeakPolarHBondContact O-CD2 3.22Å; Q173-Y177 WeakPolarHBondContact O-CE2 3.29Å
174	L	81.2	Confident	81.2	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-73.2	-35.5	179.5	-69.1	166	0	0	0	113.2	L159 G170 L171 K176 Y177 L178 G192 C193 V196	L159-L174 HydrophobicContact CB-CD2 4.14Å; G170-L174 WeakPolarHBondContact O-CG 3.07Å; G170-L174 PolarHBondContact O-N 2.73Å; L171-L174 PolarHBondContact O-N 2.71Å; L174-K176 PolarHBondContact O-N 3.28Å; L174-K176 VanDerWaalsContact O-N 3.13Å; L174-Y177 WeakPolarHBondContact O-CB 3.03Å; L174-Y177 PolarHBondContact O-N 3.27Å; L174-L178 PolarHBondContact O-N 3.11Å; L174-G192 VanDerWaalsContact CD1-C 3.5Å; L174-C193 HydrophobicContact CD1-CB 4.48Å; L174-V196 HydrophobicContact CD1-CG2 3.64Å
175	D	83.9	Confident	81.4	Confident	58 Å²	58	52.8 Å²	52.8	31%	0.31	27%	0.271	S	S	.	.	H	α-helix	trans	-51.8	-37.6	175.9	-80.2	-17.4	0	0	0	112.6	L171 Y177 L178 Y179	L171-D175 WeakPolarHBondContact O-CB 3.31Å; L171-D175 PolarHBondContact O-N 3.05Å; D175-Y177 PolarHBondContact O-N 3.07Å; D175-Y177 VanDerWaalsContact O-N 3.11Å; D175-L178 PolarHBondContact O-N 3.18Å; D175-Y179 HydrophobicContact CB-CE2 4.47Å; D175-Y179 WeakPolarHBondContact O-CD2 3.45Å; D175-Y179 PolarHBondContact O-N 2.74Å
176	K	82.9	Confident	81.7	Confident	115 Å²	115	55.4 Å²	55.4	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-25.8	178.1	-62.9	165.6	-174.7	152.1	0	112.8	S172 L174	S172-K176 WeakPolarHBondContact O-CE 3.41Å; S172-K176 PolarHBondContact O-NZ 2.86Å; L174-K176 PolarHBondContact O-N 3.28Å; L174-K176 VanDerWaalsContact O-N 3.13Å
177	Y	81.9	Confident	81.9	Confident	19 Å²	19	53.9 Å²	53.9	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-95	-25	176.4	-58.5	-85.9	0	0	0	112.7	L134 P138 L144 V156 L159 Q173 L174 D175 Y179 S180	L134-Y177 PolarHBondContact O-OH 3Å; L134-Y177 VanDerWaalsContact O-OH 3.08Å; P138-Y177 HydrophobicContact CB-CE1 4.5Å; L144-Y177 HydrophobicContact CD2-CE1 4.45Å; V156-Y177 HydrophobicContact CG1-CD1 4.17Å; V156-Y177 HydrophobicContact CG1-CD2 4.2Å; V156-Y177 HydrophobicContact CG1-CG 3.76Å; V156-Y177 HydrophobicContact CG2-CD1 3.82Å; V156-Y177 HydrophobicContact CG2-CE1 4.35Å; V156-Y177 HydrophobicContact CG2-CG 4.27Å; L159-Y177 HydrophobicContact CD1-CD2 4.03Å; L159-Y177 HydrophobicContact CD1-CE2 3.36Å; Q173-Y177 WeakPolarHBondContact O-CD2 3.22Å; Q173-Y177 WeakPolarHBondContact O-CE2 3.29Å; L174-Y177 WeakPolarHBondContact O-CB 3.03Å; L174-Y177 PolarHBondContact O-N 3.27Å; D175-Y177 PolarHBondContact O-N 3.07Å; D175-Y177 VanDerWaalsContact O-N 3.11Å; Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 2.1Å; Y177-S180 WeakPolarHBondContact O-CB 3.34Å; Y177-S180 PolarHBondContact O-N 3.32Å; Y177-S180 VanDerWaalsContact O-N 3.12Å
178	L	80.8	Confident	82.4	Confident	21 Å²	21	53.3 Å²	53.3	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-30.3	173.7	-64.1	-178	0	0	0	112.8	L174 D175 S180 R186 L190	L174-L178 PolarHBondContact O-N 3.11Å; D175-L178 PolarHBondContact O-N 3.18Å; L178-S180 VanDerWaalsContact C-N 3.28Å; L178-S180 PolarHBondContact O-N 2.81Å; L178-R186 WeakPolarHBondContact O-CD 3.26Å; L178-R186 WeakPolarHBondContact O-CG 3.26Å; L178-L190 HydrophobicContact CD2-CD2 3.84Å; L178-L190 HydrophobicContact CD2-CG 3.83Å
179	Y	83.3	Confident	82.8	Confident	200 Å²	200	47.2 Å²	47.2	78%	0.784	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	4.5	174.1	-63.3	-70.2	0	0	0	114.7	D175 Y177	D175-Y179 HydrophobicContact CB-CE2 4.47Å; D175-Y179 WeakPolarHBondContact O-CD2 3.45Å; D175-Y179 PolarHBondContact O-N 2.74Å; Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 2.1Å
180	S	81.5	Confident	83	Confident	39 Å²	39	44.5 Å²	44.5	27%	0.273	22%	0.22	S	C	.	.			trans	-70.1	147.6	176.1	179.6	0	0	0	0	112.2	Y177 L178 E182 T185 R186	Y177-S180 WeakPolarHBondContact O-CB 3.34Å; Y177-S180 PolarHBondContact O-N 3.32Å; Y177-S180 VanDerWaalsContact O-N 3.12Å; L178-S180 VanDerWaalsContact C-N 3.28Å; L178-S180 PolarHBondContact O-N 2.81Å; S180-E182 VanDerWaalsContact C-N 3.3Å; S180-E182 PolarHBondContact O-N 3.29Å; S180-E182 PolarHBondContact OG-N 3.07Å; S180-T185 WeakPolarHBondContact CB-OG1 3.42Å; S180-T185 PolarHBondContact OG-OG1 3.22Å; S180-R186 WeakPolarHBondContact O-CD 3.45Å; S180-R186 VanDerWaalsContact O-CG 3.24Å; S180-R186 WeakPolarHBondContact O-CG 3.42Å; S180-R186 PolarHBondContact O-NE 3.17Å
181	V	78.4	Confident	83.3	Confident	137 Å²	137	44.6 Å²	44.6	83%	0.83	22%	0.22	S	C	*	.	S	Bend	trans	-70.1	-28.3	177.7	-175.7	0	0	0	0	111.8	D183	V181-D183 PolarHBondContact O-N 3.44Å
182	E	83.9	Confident	83.5	Confident	81 Å²	81	43.4 Å²	43.4	38%	0.379	21%	0.214	S	C	.	.			trans	-81.4	119	-175.3	-62.6	-173.5	177	0	0	112.5	K152 S180 H184 T185 R186	K152-E182 WeakPolarHBondContact CD-OE2 3.28Å; K152-E182 WeakPolarHBondContact CE-OE2 3.33Å; K152-E182 IonicContact NZ-OE1 2.69Å; K152-E182 PolarHBondContact NZ-OE1 3.37Å; K152-E182 IonicContact NZ-OE2 3.62Å; K152-E182 PolarHBondContact NZ-OE2 2.95Å; S180-E182 VanDerWaalsContact C-N 3.3Å; S180-E182 PolarHBondContact O-N 3.29Å; S180-E182 PolarHBondContact OG-N 3.07Å; E182-H184 PolarHBondContact O-N 3.49Å; E182-H184 VanDerWaalsContact O-N 3.15Å; E182-T185 HydrophobicContact CB-CG2 4.22Å; E182-T185 PolarHBondContact O-N 3.42Å; E182-T185 PolarHBondContact O-OG1 3.43Å; E182-R186 PolarHBondContact O-N 3.03Å; E182-R186 VanDerWaalsContact O-N 3.14Å
183	D	84.3	Confident	83.4	Confident	46 Å²	46	40.8 Å²	40.8	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-53.1	-38.2	-178.9	-62.5	-42.1	0	0	0	113.5	V181 T185 R186 A187 K219	V181-D183 PolarHBondContact O-N 3.44Å; D183-T185 PolarHBondContact O-N 3.19Å; D183-R186 PolarHBondContact O-N 3.15Å; D183-R186 IonicContact OD1-CZ 3.9Å; D183-R186 IonicContact OD1-NE 3Å; D183-R186 IonicContact OD1-NH2 2.64Å; D183-R186 PolarHBondContact OD1-NH2 3.47Å; D183-A187 WeakPolarHBondContact O-CB 3.31Å; D183-A187 PolarHBondContact O-N 3.41Å; D183-K219 HydrophobicContact CB-CD 4.41Å; D183-K219 WeakPolarHBondContact OD1-CD 3.47Å; D183-K219 IonicContact OD1-NZ 2.69Å; D183-K219 PolarHBondContact OD1-NZ 2.68Å; D183-K219 WeakPolarHBondContact OD2-CD 3.49Å; D183-K219 IonicContact OD2-NZ 3.31Å; D183-K219 PolarHBondContact OD2-NZ 3.01Å
184	H	84.6	Confident	83.5	Confident	35 Å²	35	39.3 Å²	39.3	16%	0.162	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-37.1	177.6	-59.4	-80.9	0	0	0	112.8	E149 M153 E182 G188 V221	E149-H184 WeakPolarHBondContact O-CB 3.47Å; E149-H184 IonicContact OE2-NE2 3.14Å; M153-H184 VanDerWaalsContact CA-O 3.22Å; M153-H184 WeakPolarHBondContact CA-O 3.25Å; M153-H184 HydrophobicContact CB-CB 4.32Å; M153-H184 VanDerWaalsContact CB-O 3.32Å; M153-H184 WeakPolarHBondContact CB-O 3.12Å; E182-H184 PolarHBondContact O-N 3.49Å; E182-H184 VanDerWaalsContact O-N 3.15Å; H184-G188 PolarHBondContact O-N 3.46Å; H184-V221 WeakPolarHBondContact CE1-CG1 3.31Å; H184-V221 WeakPolarHBondContact NE2-CG2 3.42Å
185	T	84.1	Confident	83.8	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-71.8	-35.7	176.3	57.7	0	0	0	0	111.8	L144 K152 V156 S180 E182 D183 G188 G189	L144-T185 HydrophobicContact CD2-CG2 4.21Å; K152-T185 HydrophobicContact CB-CG2 4.03Å; K152-T185 HydrophobicContact CD-CG2 4.35Å; V156-T185 HydrophobicContact CG2-CG2 4.34Å; S180-T185 WeakPolarHBondContact CB-OG1 3.42Å; S180-T185 PolarHBondContact OG-OG1 3.22Å; E182-T185 HydrophobicContact CB-CG2 4.22Å; E182-T185 PolarHBondContact O-N 3.42Å; E182-T185 PolarHBondContact O-OG1 3.43Å; D183-T185 PolarHBondContact O-N 3.19Å; T185-G188 PolarHBondContact O-N 3.01Å; T185-G189 PolarHBondContact O-N 2.84Å
186	R	84.7	Confident	83.8	Confident	68 Å²	68	36.6 Å²	36.6	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-66	-44.1	172.8	-64.3	-164.7	-76.1	169.2	-1.3	112	L178 S180 E182 D183 G188 G189 L190 L222	L178-R186 WeakPolarHBondContact O-CD 3.26Å; L178-R186 WeakPolarHBondContact O-CG 3.26Å; S180-R186 WeakPolarHBondContact O-CD 3.45Å; S180-R186 VanDerWaalsContact O-CG 3.24Å; S180-R186 WeakPolarHBondContact O-CG 3.42Å; S180-R186 PolarHBondContact O-NE 3.17Å; E182-R186 PolarHBondContact O-N 3.03Å; E182-R186 VanDerWaalsContact O-N 3.14Å; D183-R186 PolarHBondContact O-N 3.15Å; D183-R186 IonicContact OD1-CZ 3.9Å; D183-R186 IonicContact OD1-NE 3Å; D183-R186 IonicContact OD1-NH2 2.64Å; D183-R186 PolarHBondContact OD1-NH2 3.47Å; R186-G188 VanDerWaalsContact C-N 3.32Å; R186-G188 PolarHBondContact O-N 3Å; R186-G189 PolarHBondContact O-N 2.79Å; R186-G189 VanDerWaalsContact O-N 3.15Å; R186-L190 WeakPolarHBondContact O-CG 3.38Å; R186-L190 PolarHBondContact O-N 3.07Å; R186-L222 HydrophobicContact CB-CD2 3.93Å
187	A	84.7	Confident	83.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-42.3	172.6	0	0	0	0	0	112.1	M153 D183 G189 L190 L191 V221 L222 A225	M153-A187 HydrophobicContact CE-CB 4.41Å; M153-A187 HydrophobicContact CG-CB 4.23Å; M153-A187 HydrophobicContact SD-CB 4.1Å; D183-A187 WeakPolarHBondContact O-CB 3.31Å; D183-A187 PolarHBondContact O-N 3.41Å; A187-G189 VanDerWaalsContact C-N 3.33Å; A187-G189 PolarHBondContact O-N 2.83Å; A187-L190 PolarHBondContact O-N 3.32Å; A187-L191 WeakPolarHBondContact O-CB 3.49Å; A187-L191 PolarHBondContact O-N 3.49Å; A187-V221 HydrophobicContact CB-CB 4.48Å; A187-V221 HydrophobicContact CB-CG1 3.69Å; A187-L222 HydrophobicContact CB-CD2 4.02Å; A187-A225 HydrophobicContact CB-CB 3.83Å; A187-A225 WeakPolarHBondContact O-CB 3.49Å
188	G	85	Confident	83.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-37.9	174.3	0	0	0	0	0	113	M153 A157 H184 T185 R186 G192	M153-G188 VanDerWaalsContact O-CA 3.25Å; M153-G188 WeakPolarHBondContact O-CA 3.48Å; A157-G188 WeakPolarHBondContact CA-O 3.45Å; H184-G188 PolarHBondContact O-N 3.46Å; T185-G188 PolarHBondContact O-N 3.01Å; R186-G188 VanDerWaalsContact C-N 3.32Å; R186-G188 PolarHBondContact O-N 3Å; G188-G192 PolarHBondContact O-N 3.1Å
189	G	85.5	Confident	83.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-50.9	173.2	0	0	0	0	0	112.2	T185 R186 A187 L191 G192 C193	T185-G189 PolarHBondContact O-N 2.84Å; R186-G189 PolarHBondContact O-N 2.79Å; R186-G189 VanDerWaalsContact O-N 3.15Å; A187-G189 VanDerWaalsContact C-N 3.33Å; A187-G189 PolarHBondContact O-N 2.83Å; G189-L191 PolarHBondContact O-N 3.25Å; G189-G192 CarbonylContact O-C 3.52Å; G189-G192 WeakPolarHBondContact O-CA 3.39Å; G189-G192 PolarHBondContact O-N 3.02Å; G189-G192 VanDerWaalsContact O-N 3.13Å; G189-C193 PolarHBondContact O-N 3.11Å; G189-C193 PolarHBondContact O-SG 3.25Å
190	L	86.4	Confident	82.7	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-58.7	-45.9	178.6	-68.5	172	0	0	0	112.3	L178 R186 A187 G192 C193 G194 L211 Y214 L222	L178-L190 HydrophobicContact CD2-CD2 3.84Å; L178-L190 HydrophobicContact CD2-CG 3.83Å; R186-L190 WeakPolarHBondContact O-CG 3.38Å; R186-L190 PolarHBondContact O-N 3.07Å; A187-L190 PolarHBondContact O-N 3.32Å; L190-G192 VanDerWaalsContact C-N 3.32Å; L190-G192 PolarHBondContact O-N 2.94Å; L190-C193 WeakPolarHBondContact O-CB 3.49Å; L190-C193 PolarHBondContact O-N 2.84Å; L190-G194 PolarHBondContact O-N 2.87Å; L190-L211 HydrophobicContact CB-CD2 3.99Å; L190-L211 HydrophobicContact CD2-CD2 4.17Å; L190-L211 WeakPolarHBondContact O-CD2 3.28Å; L190-Y214 HydrophobicContact CD1-CD1 3.99Å; L190-Y214 HydrophobicContact CD1-CD2 3.72Å; L190-Y214 HydrophobicContact CD1-CE1 4.49Å; L190-Y214 HydrophobicContact CD1-CE2 4.27Å; L190-Y214 HydrophobicContact CD1-CG 3.58Å; L190-Y214 HydrophobicContact CD2-CD2 3.48Å; L190-Y214 VanDerWaalsContact CD2-CD2 3.48Å; L190-Y214 HydrophobicContact CD2-CE2 3.67Å; L190-Y214 HydrophobicContact CD2-CG 4.23Å; L190-Y214 HydrophobicContact CG-CD2 4.26Å; L190-L222 HydrophobicContact CD1-CD2 4Å
191	L	84.4	Confident	82.1	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-38	176.7	-166.8	148.7	0	0	0	111.1	M153 A157 A187 G189 C193 G194 V195 A225 I228 F641	M153-L191 HydrophobicContact CE-CD1 3.91Å; A157-L191 HydrophobicContact CB-CD2 3.74Å; A187-L191 WeakPolarHBondContact O-CB 3.49Å; A187-L191 PolarHBondContact O-N 3.49Å; G189-L191 PolarHBondContact O-N 3.25Å; L191-C193 VanDerWaalsContact C-N 3.34Å; L191-C193 PolarHBondContact O-N 2.93Å; L191-G194 PolarHBondContact O-N 3.5Å; L191-V195 HydrophobicContact CD2-CG2 3.96Å; L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.2Å; L191-A225 HydrophobicContact CB-CB 4.23Å; L191-I228 HydrophobicContact CD1-CB 3.99Å; L191-I228 HydrophobicContact CD1-CD1 4.27Å; L191-I228 HydrophobicContact CD1-CG2 3.79Å; L191-I228 HydrophobicContact CG-CG2 4.35Å; L191-F641 HydrophobicContact CD2-CB 3.76Å; L191-F641 HydrophobicContact CD2-CD1 4.01Å; L191-F641 HydrophobicContact CD2-CD2 3.41Å; L191-F641 VanDerWaalsContact CD2-CD2 3.41Å; L191-F641 HydrophobicContact CD2-CE2 4Å; L191-F641 HydrophobicContact CD2-CG 3.44Å; L191-F641 VanDerWaalsContact CD2-CG 3.44Å
192	G	85.3	Confident	81.6	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.7	-42.5	170.2	0	0	0	0	0	113	L174 G188 G189 L190 G194 V195 V196	L174-G192 VanDerWaalsContact CD1-C 3.5Å; G188-G192 PolarHBondContact O-N 3.1Å; G189-G192 CarbonylContact O-C 3.52Å; G189-G192 WeakPolarHBondContact O-CA 3.39Å; G189-G192 PolarHBondContact O-N 3.02Å; G189-G192 VanDerWaalsContact O-N 3.13Å; L190-G192 VanDerWaalsContact C-N 3.32Å; L190-G192 PolarHBondContact O-N 2.94Å; G192-G194 VanDerWaalsContact C-N 3.32Å; G192-G194 PolarHBondContact O-N 3.24Å; G192-V195 PolarHBondContact O-N 3.43Å; G192-V195 VanDerWaalsContact O-N 3.14Å; G192-V196 WeakPolarHBondContact O-CG2 3.45Å; G192-V196 PolarHBondContact O-N 3.24Å
193	C	83.6	Confident	80.2	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-37.5	177.5	-64.5	0	0	0	0	111.9	L171 L174 G189 L190 L191 N197	L171-C193 HydrophobicContact CD2-CB 4.15Å; L174-C193 HydrophobicContact CD1-CB 4.48Å; G189-C193 PolarHBondContact O-N 3.11Å; G189-C193 PolarHBondContact O-SG 3.25Å; L190-C193 WeakPolarHBondContact O-CB 3.49Å; L190-C193 PolarHBondContact O-N 2.84Å; L191-C193 VanDerWaalsContact C-N 3.34Å; L191-C193 PolarHBondContact O-N 2.93Å; C193-N197 PolarHBondContact O-N 3.44Å; C193-N197 PolarHBondContact O-ND2 3.4Å
194	G	83.7	Confident	79.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-36.3	172.7	0	0	0	0	0	113.4	L190 L191 G192 G229	L190-G194 PolarHBondContact O-N 2.87Å; L191-G194 PolarHBondContact O-N 3.5Å; G192-G194 VanDerWaalsContact C-N 3.32Å; G192-G194 PolarHBondContact O-N 3.24Å; G194-G229 VanDerWaalsContact CA-O 3.3Å; G194-G229 WeakPolarHBondContact CA-O 3.49Å
195	V	86.3	Confident	78.2	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-70.4	-39.7	177.6	169.8	0	0	0	0	112.2	G160 W161 L164 L191 G192 N197 C198 V232 F641 T644	G160-V195 VanDerWaalsContact C-CG1 3.47Å; W161-V195 HydrophobicContact CG-CG1 4.27Å; L164-V195 WeakPolarHBondContact CD1-O 3.48Å; L191-V195 HydrophobicContact CD2-CG2 3.96Å; L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.2Å; G192-V195 PolarHBondContact O-N 3.43Å; G192-V195 VanDerWaalsContact O-N 3.14Å; V195-N197 PolarHBondContact O-N 2.93Å; V195-C198 WeakPolarHBondContact O-CB 3.27Å; V195-C198 PolarHBondContact O-N 3.28Å; V195-V232 HydrophobicContact CG2-CG1 4.38Å; V195-F641 HydrophobicContact CG2-CB 4.12Å; V195-F641 HydrophobicContact CG2-CD1 3.89Å; V195-F641 HydrophobicContact CG2-CG 4.28Å; V195-T644 HydrophobicContact CG1-CG2 3.91Å
196	V	85.7	Confident	77.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-46	176.8	166	0	0	0	0	111.8	L163 W165 D166 L174 G192 C198	L163-V196 HydrophobicContact CB-CG2 4.04Å; W165-V196 PolarHBondContact N-O 3.23Å; W165-V196 VanDerWaalsContact N-O 3.13Å; D166-V196 WeakPolarHBondContact O-CG1 3.41Å; L174-V196 HydrophobicContact CD1-CG2 3.64Å; G192-V196 WeakPolarHBondContact O-CG2 3.45Å; G192-V196 PolarHBondContact O-N 3.24Å; V196-C198 PolarHBondContact O-N 3.36Å
197	N	82.5	Confident	76.8	Confident	9 Å²	9	22 Å²	22	5%	0.048	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	4.8	-178.4	-67.3	-74.9	0	0	0	113.6	C193 V195 G199 V200 A207 A233	C193-N197 PolarHBondContact O-N 3.44Å; C193-N197 PolarHBondContact O-ND2 3.4Å; V195-N197 PolarHBondContact O-N 2.93Å; N197-G199 PolarHBondContact O-N 3.31Å; N197-V200 PolarHBondContact O-N 3.48Å; N197-A207 HydrophobicContact CB-CB 4.47Å; N197-A233 HydrophobicContact CB-CB 4.17Å
198	C	76.5	Confident	76.3	Confident	5 Å²	5	23.5 Å²	23.5	3%	0.034	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	99.1	-177.6	179	0	0	0	0	112.4	L164 W165 V195 V196 V232 T644	L164-C198 HydrophobicContact CD1-CB 4.18Å; W165-C198 VanDerWaalsContact CD1-O 3.28Å; W165-C198 PolarHBondContact NE1-O 3.23Å; V195-C198 WeakPolarHBondContact O-CB 3.27Å; V195-C198 PolarHBondContact O-N 3.28Å; V196-C198 PolarHBondContact O-N 3.36Å; C198-V232 HydrophobicContact CB-CG1 3.99Å; C198-T644 HydrophobicContact CB-CG2 3.75Å
199	G	71.6	Confident	75.8	Confident	15 Å²	15	26.9 Å²	26.9	16%	0.155	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	9	177	0	0	0	0	0	115.5	N66 N197	N66-G199 WeakPolarHBondContact CB-O 3.35Å; N66-G199 PolarHBondContact ND2-O 2.69Å; N197-G199 PolarHBondContact O-N 3.31Å
200	V	74.3	Confident	75.4	Confident	13 Å²	13	29.6 Å²	29.6	8%	0.079	17%	0.174	C	C	.	.			trans	-114.4	129.3	165.2	177.6	0	0	0	0	107.9	W65 T67 W165 V167 N197	W65-V200 WeakPolarHBondContact O-CA 3.25Å; T67-V200 HydrophobicContact CG2-CG1 4.42Å; W165-V200 HydrophobicContact CB-CG2 3.9Å; W165-V200 HydrophobicContact CG-CG2 4.28Å; V167-V200 HydrophobicContact CG2-CB 4.38Å; V167-V200 HydrophobicContact CG2-CG1 3.97Å; N197-V200 PolarHBondContact O-N 3.48Å
201	K	67.7	Low	75	Confident	40 Å²	40	29.6 Å²	29.6	17%	0.174	17%	0.174	C	C	.	.			trans	-96.8	148.3	167.1	-78.5	-164.4	177.4	-171.4	0	109.5	V48 W65 S237	V48-K201 HydrophobicContact CG1-CD 4.15Å; V48-K201 HydrophobicContact CG2-CD 4.04Å; W65-K201 HydrophobicContact CB-CB 3.86Å; W65-K201 HydrophobicContact CD2-CB 4.18Å; W65-K201 HydrophobicContact CG-CB 3.61Å; W65-K201 PolarHBondContact O-N 3.34Å; W65-K201 VanDerWaalsContact O-N 3.09Å; K201-S237 PolarHBondContact NZ-O 2.91Å
202	N	68.7	Low	74.6	Confident	52 Å²	52	30.4 Å²	30.4	28%	0.278	18%	0.182	S	C	.	.			trans	-145.7	132.8	177.2	-175.2	-23.2	0	0	0	108.2	C204 D205	N202-C204 PolarHBondContact O-N 3.36Å; N202-C204 VanDerWaalsContact O-N 3.11Å; N202-C204 PolarHBondContact OD1-N 3.13Å; N202-D205 PolarHBondContact O-N 2.93Å
203	E	55.4	Low	74.3	Confident	158 Å²	158	34.1 Å²	34.1	74%	0.738	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-34.5	-177.1	-57.4	-178.7	161.8	0	0	113.4	W65 D205	W65-E203 HydrophobicContact CE3-CG 4.44Å; W65-E203 HydrophobicContact CH2-CG 3.51Å; W65-E203 HydrophobicContact CZ3-CG 3.34Å; E203-D205 PolarHBondContact O-N 3.46Å
204	C	59.8	Low	74.1	Confident	105 Å²	105	37.4 Å²	37.4	71%	0.709	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.6	-178.5	-66.8	0	0	0	0	114	N202 P206	N202-C204 PolarHBondContact O-N 3.36Å; N202-C204 VanDerWaalsContact O-N 3.11Å; N202-C204 PolarHBondContact OD1-N 3.13Å; C204-P206 VanDerWaalsContact C-CD 3.42Å; C204-P206 VanDerWaalsContact C-N 3.34Å; C204-P206 WeakPolarHBondContact O-CD 3.38Å
205	D	67	Low	73.9	Confident	30 Å²	30	37.9 Å²	37.9	16%	0.16	22%	0.224	C	C	.	.			trans	33.7	51.1	173.1	-116.8	-10.7	0	0	0	116	N202 E203 A207 L208 A209 Y234 K239	N202-D205 PolarHBondContact O-N 2.93Å; E203-D205 PolarHBondContact O-N 3.46Å; D205-A207 PolarHBondContact O-N 3.1Å; D205-A207 VanDerWaalsContact O-N 3.1Å; D205-L208 PolarHBondContact O-N 3.15Å; D205-A209 PolarHBondContact O-N 3.22Å; D205-Y234 VanDerWaalsContact OD1-CE1 3.32Å; D205-Y234 WeakPolarHBondContact OD1-CE1 3.4Å; D205-Y234 PolarHBondContact OD1-OH 3.07Å; D205-K239 WeakPolarHBondContact OD2-CE 3.13Å; D205-K239 IonicContact OD2-NZ 2.72Å; D205-K239 PolarHBondContact OD2-NZ 2.94Å
206	P	68.2	Low	73.6	Confident	29 Å²	29	44 Å²	44	19%	0.188	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-25.8	-170.6	26.5	-35.5	0	0	0	112.6	V167 L171 C204 L210	V167-P206 HydrophobicContact CG1-CG 4.46Å; L171-P206 HydrophobicContact CD1-CB 4Å; L171-P206 HydrophobicContact CD1-CG 3.69Å; C204-P206 VanDerWaalsContact C-CD 3.42Å; C204-P206 VanDerWaalsContact C-N 3.34Å; C204-P206 WeakPolarHBondContact O-CD 3.38Å; P206-L210 WeakPolarHBondContact O-CB 3.38Å; P206-L210 VanDerWaalsContact O-CG 3.3Å; P206-L210 WeakPolarHBondContact O-CG 3.3Å; P206-L210 PolarHBondContact O-N 3.4Å; P206-L210 VanDerWaalsContact O-N 3.07Å
207	A	70.6	Confident	73.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-46.4	174.6	0	0	0	0	0	111.9	N197 D205 L211 A233 Y234	N197-A207 HydrophobicContact CB-CB 4.47Å; D205-A207 PolarHBondContact O-N 3.1Å; D205-A207 VanDerWaalsContact O-N 3.1Å; A207-L211 HydrophobicContact CB-CD1 4.11Å; A207-L211 WeakPolarHBondContact O-CB 3.47Å; A207-L211 WeakPolarHBondContact O-CD1 3.37Å; A207-L211 WeakPolarHBondContact O-CG 3.46Å; A207-L211 PolarHBondContact O-N 3.37Å; A207-A233 HydrophobicContact CB-CB 4.36Å; A207-Y234 HydrophobicContact CB-CE2 4.18Å
208	L	74.2	Confident	72.7	Confident	31 Å²	31	52.9 Å²	52.9	16%	0.162	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-47.4	-179.7	-164.2	152.2	0	0	0	111.3	D205 L210 G212 Y234 K239 E241	D205-L208 PolarHBondContact O-N 3.15Å; L208-L210 PolarHBondContact O-N 2.96Å; L208-G212 PolarHBondContact O-N 3.29Å; L208-Y234 HydrophobicContact CB-CE2 4.11Å; L208-Y234 WeakPolarHBondContact CB-OH 3.09Å; L208-Y234 PolarHBondContact N-OH 3.47Å; L208-K239 HydrophobicContact CD1-CD 4.18Å; L208-E241 HydrophobicContact CD1-CB 3.67Å
209	A	73.5	Confident	72.9	Confident	72 Å²	72	57 Å²	57	60%	0.595	32%	0.324	S	S	*	.	H	α-helix	trans	-61.2	-42.9	-179.2	0	0	0	0	0	112.8	D205	D205-A209 PolarHBondContact O-N 3.22Å
210	L	78.4	Confident	73.2	Confident	57 Å²	57	60 Å²	60	30%	0.298	34%	0.336	S	S	.	.	H	α-helix	trans	-72	-59.1	175.6	-69.4	172	0	0	0	111.2	P206 L208 G212 S213 Y214	P206-L210 WeakPolarHBondContact O-CB 3.38Å; P206-L210 VanDerWaalsContact O-CG 3.3Å; P206-L210 WeakPolarHBondContact O-CG 3.3Å; P206-L210 PolarHBondContact O-N 3.4Å; P206-L210 VanDerWaalsContact O-N 3.07Å; L208-L210 PolarHBondContact O-N 2.96Å; L210-G212 PolarHBondContact O-N 3.12Å; L210-S213 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-OG 3.31Å; L210-Y214 VanDerWaalsContact O-CD2 3.24Å; L210-Y214 WeakPolarHBondContact O-CD2 3.37Å
211	L	77.6	Confident	73.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-39.3	-168.5	-60	168.9	0	0	0	111.9	L190 A207 S213 Y214 V215 A226 L230	L190-L211 HydrophobicContact CB-CD2 3.99Å; L190-L211 HydrophobicContact CD2-CD2 4.17Å; L190-L211 WeakPolarHBondContact O-CD2 3.28Å; A207-L211 HydrophobicContact CB-CD1 4.11Å; A207-L211 WeakPolarHBondContact O-CB 3.47Å; A207-L211 WeakPolarHBondContact O-CD1 3.37Å; A207-L211 WeakPolarHBondContact O-CG 3.46Å; A207-L211 PolarHBondContact O-N 3.37Å; L211-S213 PolarHBondContact O-N 3.34Å; L211-Y214 PolarHBondContact O-N 3.12Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 2.84Å; L211-V215 VanDerWaalsContact O-N 3.08Å; L211-A226 HydrophobicContact CB-CB 4.5Å; L211-A226 HydrophobicContact CD2-CB 4.47Å; L211-L230 HydrophobicContact CB-CB 4.39Å; L211-L230 HydrophobicContact CB-CD1 4.3Å; L211-L230 HydrophobicContact CD1-CB 4.06Å
212	G	75.9	Confident	74.4	Confident	18 Å²	18	58.9 Å²	58.9	19%	0.186	33%	0.332	C	S	.	.	H	α-helix	trans	-55.1	-38.5	177.5	0	0	0	0	0	112.8	L208 L210 Y214 V215	L208-G212 PolarHBondContact O-N 3.29Å; L210-G212 PolarHBondContact O-N 3.12Å; G212-Y214 VanDerWaalsContact C-N 3.26Å; G212-Y214 PolarHBondContact O-N 3.06Å; G212-V215 PolarHBondContact O-N 2.95Å
213	S	79.9	Confident	75.1	Confident	78 Å²	78	56.7 Å²	56.7	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-19.4	176.7	75.5	0	0	0	0	114.7	L210 L211	L210-S213 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-OG 3.31Å; L211-S213 PolarHBondContact O-N 3.34Å
214	Y	79.6	Confident	76.3	Confident	71 Å²	71	50.4 Å²	50.4	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-101.9	-13.4	179.5	-69.9	-73.4	0	0	0	113.9	L190 L210 L211 G212 D216 S217	L190-Y214 HydrophobicContact CD1-CD1 3.99Å; L190-Y214 HydrophobicContact CD1-CD2 3.72Å; L190-Y214 HydrophobicContact CD1-CE1 4.49Å; L190-Y214 HydrophobicContact CD1-CE2 4.27Å; L190-Y214 HydrophobicContact CD1-CG 3.58Å; L190-Y214 HydrophobicContact CD2-CD2 3.48Å; L190-Y214 VanDerWaalsContact CD2-CD2 3.48Å; L190-Y214 HydrophobicContact CD2-CE2 3.67Å; L190-Y214 HydrophobicContact CD2-CG 4.23Å; L190-Y214 HydrophobicContact CG-CD2 4.26Å; L210-Y214 VanDerWaalsContact O-CD2 3.24Å; L210-Y214 WeakPolarHBondContact O-CD2 3.37Å; L211-Y214 PolarHBondContact O-N 3.12Å; G212-Y214 VanDerWaalsContact C-N 3.26Å; G212-Y214 PolarHBondContact O-N 3.06Å; Y214-D216 VanDerWaalsContact C-N 3.32Å; Y214-D216 PolarHBondContact O-N 3.39Å; Y214-S217 WeakPolarHBondContact O-CB 3.34Å; Y214-S217 PolarHBondContact O-N 3.2Å; Y214-S217 PolarHBondContact O-OG 2.95Å
215	V	79	Confident	77.5	Confident	10 Å²	10	45.4 Å²	45.4	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-45.6	175.1	167.5	0	0	0	0	111	L211 G212 S217 S223 A226 I227 V249	L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 2.84Å; L211-V215 VanDerWaalsContact O-N 3.08Å; G212-V215 PolarHBondContact O-N 2.95Å; V215-S217 PolarHBondContact O-N 2.76Å; V215-S223 WeakPolarHBondContact O-CB 3.44Å; V215-A226 HydrophobicContact CG2-CB 3.99Å; V215-I227 HydrophobicContact CG1-CG1 4.46Å; V215-I227 HydrophobicContact CG2-CG1 4.43Å; V215-V249 HydrophobicContact CG1-CG2 3.31Å
216	D	78.7	Confident	78.4	Confident	130 Å²	130	44 Å²	44	70%	0.695	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	1.4	-179.4	-67.3	-28.5	0	0	0	114.2	Y214	Y214-D216 VanDerWaalsContact C-N 3.32Å; Y214-D216 PolarHBondContact O-N 3.39Å
217	S	78.1	Confident	79.3	Confident	28 Å²	28	42.6 Å²	42.6	20%	0.196	24%	0.241	C	C	.	.			trans	-73	136.2	-171.6	68.5	0	0	0	0	113.7	Y214 V215 K219 L222	Y214-S217 WeakPolarHBondContact O-CB 3.34Å; Y214-S217 PolarHBondContact O-N 3.2Å; Y214-S217 PolarHBondContact O-OG 2.95Å; V215-S217 PolarHBondContact O-N 2.76Å; S217-K219 PolarHBondContact O-N 3.43Å; S217-L222 WeakPolarHBondContact OG-CB 3.25Å
218	D	71.5	Confident	79.9	Confident	167 Å²	167	42.6 Å²	42.6	89%	0.893	24%	0.24	S	C	*	.	S	Bend	trans	-57.1	-12.9	-176.8	-60.9	-54.9	0	0	0	115.3
219	K	80.7	Confident	80.5	Confident	92 Å²	92	41.1 Å²	41.1	40%	0.4	23%	0.233	S	C	.	.			trans	-96.9	107.9	-176.2	-62	-164.5	177.9	-166.7	0	110.3	D183 S217 V221 L222 S223	D183-K219 HydrophobicContact CB-CD 4.41Å; D183-K219 WeakPolarHBondContact OD1-CD 3.47Å; D183-K219 IonicContact OD1-NZ 2.69Å; D183-K219 PolarHBondContact OD1-NZ 2.68Å; D183-K219 WeakPolarHBondContact OD2-CD 3.49Å; D183-K219 IonicContact OD2-NZ 3.31Å; D183-K219 PolarHBondContact OD2-NZ 3.01Å; S217-K219 PolarHBondContact O-N 3.43Å; K219-V221 PolarHBondContact O-N 3.02Å; K219-L222 HydrophobicContact CB-CB 4.4Å; K219-L222 HydrophobicContact CB-CD1 4.07Å; K219-L222 HydrophobicContact CB-CG 4.22Å; K219-L222 HydrophobicContact CD-CD1 4.16Å; K219-L222 HydrophobicContact CG-CD1 4.48Å; K219-L222 PolarHBondContact O-N 2.77Å; K219-S223 PolarHBondContact O-N 3.2Å; K219-S223 PolarHBondContact O-OG 3Å
220	D	79.3	Confident	81	Confident	77 Å²	77	37.7 Å²	37.7	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-47.4	-29.2	-177.9	-63.6	-33.8	0	0	0	115	R224 H260	D220-R224 WeakPolarHBondContact O-CB 3.43Å; D220-R224 VanDerWaalsContact O-CG 3.32Å; D220-R224 WeakPolarHBondContact O-CG 3.3Å; D220-R224 PolarHBondContact O-N 3.27Å; D220-R224 PolarHBondContact O-NE 3.34Å; D220-R224 PolarHBondContact O-NH2 3.01Å; D220-H260 WeakPolarHBondContact CB-NE2 3.39Å; D220-H260 IonicContact OD1-NE2 3.87Å; D220-H260 PolarHBondContact OD1-NE2 2.73Å; D220-H260 IonicContact OD2-NE2 2.78Å
221	V	82.9	Confident	81.3	Confident	21 Å²	21	35 Å²	35	13%	0.127	19%	0.19	C	C	.	.	H	α-helix	trans	-76	-38.1	179.7	-165.7	0	0	0	0	111.7	M153 H184 A187 K219 A225	M153-V221 HydrophobicContact SD-CG1 3.84Å; H184-V221 WeakPolarHBondContact CE1-CG1 3.31Å; H184-V221 WeakPolarHBondContact NE2-CG2 3.42Å; A187-V221 HydrophobicContact CB-CB 4.48Å; A187-V221 HydrophobicContact CB-CG1 3.69Å; K219-V221 PolarHBondContact O-N 3.02Å; V221-A225 VanDerWaalsContact O-CB 3.28Å; V221-A225 WeakPolarHBondContact O-CB 3.43Å; V221-A225 PolarHBondContact O-N 3.38Å
222	L	83.7	Confident	81.5	Confident	8 Å²	8	35 Å²	35	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-73.3	-47.6	179.9	-67.7	176	0	0	0	111.1	R186 A187 L190 S217 K219 A225 A226	R186-L222 HydrophobicContact CB-CD2 3.93Å; A187-L222 HydrophobicContact CB-CD2 4.02Å; L190-L222 HydrophobicContact CD1-CD2 4Å; S217-L222 WeakPolarHBondContact OG-CB 3.25Å; K219-L222 HydrophobicContact CB-CB 4.4Å; K219-L222 HydrophobicContact CB-CD1 4.07Å; K219-L222 HydrophobicContact CB-CG 4.22Å; K219-L222 HydrophobicContact CD-CD1 4.16Å; K219-L222 HydrophobicContact CG-CD1 4.48Å; K219-L222 PolarHBondContact O-N 2.77Å; L222-A225 WeakPolarHBondContact O-CB 3.46Å; L222-A225 PolarHBondContact O-N 3.12Å; L222-A226 WeakPolarHBondContact O-CB 3.39Å; L222-A226 PolarHBondContact O-N 3.22Å
223	S	82.4	Confident	81.9	Confident	7 Å²	7	34.7 Å²	34.7	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-43.6	179.8	46.9	0	0	0	0	112.1	V215 K219 A225 A226 I227 H260	V215-S223 WeakPolarHBondContact O-CB 3.44Å; K219-S223 PolarHBondContact O-N 3.2Å; K219-S223 PolarHBondContact O-OG 3Å; S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 3.35Å; S223-A226 PolarHBondContact O-N 3.43Å; S223-I227 WeakPolarHBondContact O-CB 3.43Å; S223-I227 VanDerWaalsContact O-CD1 3.3Å; S223-I227 WeakPolarHBondContact O-CD1 3.39Å; S223-I227 WeakPolarHBondContact O-CG1 3.39Å; S223-I227 PolarHBondContact O-N 3.31Å; S223-H260 PolarHBondContact OG-CD2 3.31Å; S223-H260 VanDerWaalsContact OG-CD2 3.27Å
224	R	81.6	Confident	82	Confident	25 Å²	25	31.4 Å²	31.4	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-57.9	-42	169.9	-76.8	178.7	-66.3	-173.8	-0.4	112.6	D220 I228 L263	D220-R224 WeakPolarHBondContact O-CB 3.43Å; D220-R224 VanDerWaalsContact O-CG 3.32Å; D220-R224 WeakPolarHBondContact O-CG 3.3Å; D220-R224 PolarHBondContact O-N 3.27Å; D220-R224 PolarHBondContact O-NE 3.34Å; D220-R224 PolarHBondContact O-NH2 3.01Å; R224-I228 VanDerWaalsContact O-CD1 3.3Å; R224-I228 WeakPolarHBondContact O-CD1 3.41Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 2.95Å; R224-L263 HydrophobicContact CB-CD1 4.38Å; R224-L263 HydrophobicContact CG-CD1 3.92Å
225	A	84.4	Confident	81.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-42.4	178	0	0	0	0	0	112.6	M153 A187 L191 V221 L222 S223 I228 G229	M153-A225 HydrophobicContact CE-CB 3.81Å; A187-A225 HydrophobicContact CB-CB 3.83Å; A187-A225 WeakPolarHBondContact O-CB 3.49Å; L191-A225 HydrophobicContact CB-CB 4.23Å; V221-A225 VanDerWaalsContact O-CB 3.28Å; V221-A225 WeakPolarHBondContact O-CB 3.43Å; V221-A225 PolarHBondContact O-N 3.38Å; L222-A225 WeakPolarHBondContact O-CB 3.46Å; L222-A225 PolarHBondContact O-N 3.12Å; S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 3.35Å; A225-I228 PolarHBondContact O-N 3.15Å; A225-G229 PolarHBondContact O-N 3.3Å
226	A	85.4	Confident	81.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.8	-47.1	178.1	0	0	0	0	0	112.1	L211 V215 L222 S223 I228 G229 L230	L211-A226 HydrophobicContact CB-CB 4.5Å; L211-A226 HydrophobicContact CD2-CB 4.47Å; V215-A226 HydrophobicContact CG2-CB 3.99Å; L222-A226 WeakPolarHBondContact O-CB 3.39Å; L222-A226 PolarHBondContact O-N 3.22Å; S223-A226 PolarHBondContact O-N 3.43Å; A226-I228 VanDerWaalsContact C-N 3.33Å; A226-I228 PolarHBondContact O-N 3.15Å; A226-G229 PolarHBondContact O-N 3.37Å; A226-L230 VanDerWaalsContact O-CB 3.24Å; A226-L230 WeakPolarHBondContact O-CB 3.49Å; A226-L230 PolarHBondContact O-N 3.08Å
227	I	87	Confident	81.5	Confident	1 Å²	1	23 Å²	23	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-58.8	-42.2	178	-68.5	160.2	0	0	0	111.8	V215 S223 G231 L246 V249 H260 L263 A264 S267	V215-I227 HydrophobicContact CG1-CG1 4.46Å; V215-I227 HydrophobicContact CG2-CG1 4.43Å; S223-I227 WeakPolarHBondContact O-CB 3.43Å; S223-I227 VanDerWaalsContact O-CD1 3.3Å; S223-I227 WeakPolarHBondContact O-CD1 3.39Å; S223-I227 WeakPolarHBondContact O-CG1 3.39Å; S223-I227 PolarHBondContact O-N 3.31Å; I227-G231 PolarHBondContact O-N 3.1Å; I227-G231 VanDerWaalsContact O-N 3.15Å; I227-L246 HydrophobicContact CG1-CD2 4.31Å; I227-L246 HydrophobicContact CG2-CD2 4.1Å; I227-V249 HydrophobicContact CD1-CG1 3.8Å; I227-H260 HydrophobicContact CD1-CB 4.05Å; I227-L263 HydrophobicContact CG2-CB 4.07Å; I227-A264 HydrophobicContact CG2-CB 4.04Å; I227-S267 WeakPolarHBondContact O-CB 3.36Å; I227-S267 PolarHBondContact O-OG 3.37Å
228	I	85.1	Confident	81.2	Confident	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-71.4	-46.6	178.7	-63.8	163.2	0	0	0	110.5	L191 R224 A225 A226 L230 G231 V232 L263 Y638 Y642	L191-I228 HydrophobicContact CD1-CB 3.99Å; L191-I228 HydrophobicContact CD1-CD1 4.27Å; L191-I228 HydrophobicContact CD1-CG2 3.79Å; L191-I228 HydrophobicContact CG-CG2 4.35Å; R224-I228 VanDerWaalsContact O-CD1 3.3Å; R224-I228 WeakPolarHBondContact O-CD1 3.41Å; R224-I228 WeakPolarHBondContact O-CG1 3.46Å; R224-I228 PolarHBondContact O-N 2.95Å; A225-I228 PolarHBondContact O-N 3.15Å; A226-I228 VanDerWaalsContact C-N 3.33Å; A226-I228 PolarHBondContact O-N 3.15Å; I228-L230 VanDerWaalsContact C-N 3.3Å; I228-L230 PolarHBondContact O-N 3.29Å; I228-G231 PolarHBondContact O-N 3.12Å; I228-V232 HydrophobicContact CG2-CG2 4.37Å; I228-V232 WeakPolarHBondContact O-CB 3.44Å; I228-V232 WeakPolarHBondContact O-CG2 3.25Å; I228-V232 PolarHBondContact O-N 3.48Å; I228-L263 HydrophobicContact CD1-CD1 4.29Å; I228-L263 HydrophobicContact CD1-CD2 4.39Å; I228-L263 HydrophobicContact CG1-CD2 4.31Å; I228-Y638 HydrophobicContact CD1-CD2 3.31Å; I228-Y638 HydrophobicContact CD1-CE2 3.42Å; I228-Y638 VanDerWaalsContact CD1-CE2 3.42Å; I228-Y638 HydrophobicContact CD1-CG 4.25Å; I228-Y642 HydrophobicContact CG1-CE2 4.23Å; I228-Y642 WeakPolarHBondContact CG1-OH 3.35Å; I228-Y642 HydrophobicContact CG2-CE1 4.05Å; I228-Y642 HydrophobicContact CG2-CE2 4.15Å
229	G	85	Confident	81.3	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.8	-41.3	178.5	0	0	0	0	0	112.6	G194 A225 A226 V232 A233	G194-G229 VanDerWaalsContact CA-O 3.3Å; G194-G229 WeakPolarHBondContact CA-O 3.49Å; A225-G229 PolarHBondContact O-N 3.3Å; A226-G229 PolarHBondContact O-N 3.37Å; G229-V232 PolarHBondContact O-N 3.04Å; G229-A233 WeakPolarHBondContact O-CB 3.44Å; G229-A233 PolarHBondContact O-N 2.92Å
230	L	84.9	Confident	81.1	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.7	-41.7	179.9	-170.5	154	0	0	0	111.1	L211 A226 I228 V232 Y234 A242 L246 I271	L211-L230 HydrophobicContact CB-CB 4.39Å; L211-L230 HydrophobicContact CB-CD1 4.3Å; L211-L230 HydrophobicContact CD1-CB 4.06Å; A226-L230 VanDerWaalsContact O-CB 3.24Å; A226-L230 WeakPolarHBondContact O-CB 3.49Å; A226-L230 PolarHBondContact O-N 3.08Å; I228-L230 VanDerWaalsContact C-N 3.3Å; I228-L230 PolarHBondContact O-N 3.29Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-V232 PolarHBondContact O-N 3Å; L230-Y234 HydrophobicContact CD2-CD2 4.35Å; L230-Y234 HydrophobicContact CG-CD2 4.06Å; L230-Y234 HydrophobicContact CG-CE2 4.45Å; L230-Y234 WeakPolarHBondContact O-CB 3.38Å; L230-Y234 WeakPolarHBondContact O-CD2 3.24Å; L230-Y234 PolarHBondContact O-N 3.49Å; L230-Y234 VanDerWaalsContact O-N 3.07Å; L230-A242 HydrophobicContact CD2-CB 3.93Å; L230-L246 HydrophobicContact CD2-CD1 3.87Å; L230-L246 HydrophobicContact CD2-CD2 4.33Å; L230-L246 HydrophobicContact CD2-CG 3.94Å; L230-I271 HydrophobicContact CD2-CD1 3.94Å
231	G	83.8	Confident	81.1	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.9	-29	173.7	0	0	0	0	0	114.8	I227 I228 A235	I227-G231 PolarHBondContact O-N 3.1Å; I227-G231 VanDerWaalsContact O-N 3.15Å; I228-G231 PolarHBondContact O-N 3.12Å; G231-A235 WeakPolarHBondContact O-CB 3.35Å
232	V	83.8	Confident	80.8	Confident	1 Å²	1	19 Å²	19	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-80.5	-41.4	176	168.7	0	0	0	0	111.9	V195 C198 I228 G229 L230 A235 Y642 P645	V195-V232 HydrophobicContact CG2-CG1 4.38Å; C198-V232 HydrophobicContact CB-CG1 3.99Å; I228-V232 HydrophobicContact CG2-CG2 4.37Å; I228-V232 WeakPolarHBondContact O-CB 3.44Å; I228-V232 WeakPolarHBondContact O-CG2 3.25Å; I228-V232 PolarHBondContact O-N 3.48Å; G229-V232 PolarHBondContact O-N 3.04Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-V232 PolarHBondContact O-N 3Å; V232-A235 WeakPolarHBondContact O-CB 3.28Å; V232-Y642 HydrophobicContact CG2-CD1 3.67Å; V232-Y642 HydrophobicContact CG2-CE1 4.03Å; V232-P645 HydrophobicContact CG1-CG 4.38Å
233	A	83.2	Confident	80.6	Confident	11 Å²	11	19 Å²	19	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-49.5	177.1	0	0	0	0	0	111.8	N197 A207 G229 A235	N197-A233 HydrophobicContact CB-CB 4.17Å; A207-A233 HydrophobicContact CB-CB 4.36Å; G229-A233 WeakPolarHBondContact O-CB 3.44Å; G229-A233 PolarHBondContact O-N 2.92Å; A233-A235 VanDerWaalsContact C-N 3.29Å; A233-A235 PolarHBondContact O-N 2.89Å
234	Y	81.1	Confident	80.7	Confident	10 Å²	10	22 Å²	22	4%	0.039	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	19.2	-174.4	-66.5	-67.6	0	0	0	113.8	D205 A207 L208 L230 G236 S237 A242	D205-Y234 VanDerWaalsContact OD1-CE1 3.32Å; D205-Y234 WeakPolarHBondContact OD1-CE1 3.4Å; D205-Y234 PolarHBondContact OD1-OH 3.07Å; A207-Y234 HydrophobicContact CB-CE2 4.18Å; L208-Y234 HydrophobicContact CB-CE2 4.11Å; L208-Y234 WeakPolarHBondContact CB-OH 3.09Å; L208-Y234 PolarHBondContact N-OH 3.47Å; L230-Y234 HydrophobicContact CD2-CD2 4.35Å; L230-Y234 HydrophobicContact CG-CD2 4.06Å; L230-Y234 HydrophobicContact CG-CE2 4.45Å; L230-Y234 WeakPolarHBondContact O-CB 3.38Å; L230-Y234 WeakPolarHBondContact O-CD2 3.24Å; L230-Y234 PolarHBondContact O-N 3.49Å; L230-Y234 VanDerWaalsContact O-N 3.07Å; Y234-G236 PolarHBondContact O-N 3.33Å; Y234-S237 WeakPolarHBondContact CA-OG 3.31Å; Y234-S237 VanDerWaalsContact CB-OG 3.3Å; Y234-S237 WeakPolarHBondContact CB-OG 3.11Å; Y234-S237 WeakPolarHBondContact O-CB 3.49Å; Y234-S237 PolarHBondContact O-N 3.29Å; Y234-S237 PolarHBondContact O-OG 3.35Å; Y234-A242 HydrophobicContact CD2-CB 4.07Å; Y234-A242 HydrophobicContact CG-CB 4.03Å
235	A	79.5	Confident	80.6	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.033	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	116.9	-175.7	0	0	0	0	0	112.5	G231 V232 A233 S237 L270 V613 P645	G231-A235 WeakPolarHBondContact O-CB 3.35Å; V232-A235 WeakPolarHBondContact O-CB 3.28Å; A233-A235 VanDerWaalsContact C-N 3.29Å; A233-A235 PolarHBondContact O-N 2.89Å; A235-S237 PolarHBondContact O-N 3.06Å; A235-L270 CarbonylContact C-O 3.54Å; A235-L270 VanDerWaalsContact CA-O 3.3Å; A235-L270 WeakPolarHBondContact CA-O 3.48Å; A235-V613 HydrophobicContact CB-CG1 3.51Å; A235-P645 HydrophobicContact CB-CB 4.26Å; A235-P645 HydrophobicContact CB-CG 3.96Å
236	G	74.9	Confident	80.4	Confident	19 Å²	19	22.8 Å²	22.8	20%	0.196	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	2.9	-173	0	0	0	0	0	115.9	Y234 M238 L270 I271	Y234-G236 PolarHBondContact O-N 3.33Å; G236-M238 VanDerWaalsContact C-N 3.34Å; G236-M238 PolarHBondContact O-N 3.23Å; G236-L270 PolarHBondContact N-O 3.44Å; G236-I271 CarbonylContact C-O 3.4Å
237	S	73.3	Confident	80.3	Confident	11 Å²	11	24.5 Å²	24.5	8%	0.077	15%	0.149	C	C	.	.			trans	-78.1	-14.2	-169.8	73.4	0	0	0	0	115.7	K201 Y234 A235 K239	K201-S237 PolarHBondContact NZ-O 2.91Å; Y234-S237 WeakPolarHBondContact CA-OG 3.31Å; Y234-S237 VanDerWaalsContact CB-OG 3.3Å; Y234-S237 WeakPolarHBondContact CB-OG 3.11Å; Y234-S237 WeakPolarHBondContact O-CB 3.49Å; Y234-S237 PolarHBondContact O-N 3.29Å; Y234-S237 PolarHBondContact O-OG 3.35Å; A235-S237 PolarHBondContact O-N 3.06Å; S237-K239 PolarHBondContact O-N 3.47Å; S237-K239 VanDerWaalsContact O-N 3.1Å; S237-K239 PolarHBondContact OG-N 3.14Å
238	M	72.9	Confident	79.9	Confident	71 Å²	71	27.8 Å²	27.8	35%	0.35	17%	0.17	S	C	.	.			trans	46	29	-173.1	-156.5	165.7	173.3	0	0	115.8	G236 A240 I271	G236-M238 VanDerWaalsContact C-N 3.34Å; G236-M238 PolarHBondContact O-N 3.23Å; M238-A240 PolarHBondContact O-N 3.08Å; M238-I271 PolarHBondContact N-O 2.78Å
239	K	72.8	Confident	79.7	Confident	59 Å²	59	28.5 Å²	28.5	26%	0.257	18%	0.175	S	C	.	.			trans	-72.1	114.8	177.9	-155.1	-174.9	-164.1	-163.9	0	111	D205 L208 S237 E241 A242 I243	D205-K239 WeakPolarHBondContact OD2-CE 3.13Å; D205-K239 IonicContact OD2-NZ 2.72Å; D205-K239 PolarHBondContact OD2-NZ 2.94Å; L208-K239 HydrophobicContact CD1-CD 4.18Å; S237-K239 PolarHBondContact O-N 3.47Å; S237-K239 VanDerWaalsContact O-N 3.1Å; S237-K239 PolarHBondContact OG-N 3.14Å; K239-E241 HydrophobicContact CD-CB 4.37Å; K239-E241 WeakPolarHBondContact CE-OE2 3.39Å; K239-E241 HydrophobicContact CG-CB 4.46Å; K239-E241 IonicContact NZ-OE2 3.76Å; K239-E241 PolarHBondContact NZ-OE2 3Å; K239-E241 PolarHBondContact O-N 3.4Å; K239-E241 VanDerWaalsContact O-N 3.16Å; K239-A242 HydrophobicContact CB-CB 4.38Å; K239-A242 WeakPolarHBondContact O-CB 3.48Å; K239-A242 PolarHBondContact O-N 2.82Å; K239-I243 PolarHBondContact O-N 3.4Å
240	A	76.9	Confident	79.4	Confident	73 Å²	73	28.6 Å²	28.6	60%	0.603	18%	0.175	S	C	*	.	H	α-helix	trans	-57.6	-30.5	-178.5	0	0	0	0	0	113.7	M238 I243 S244	M238-A240 PolarHBondContact O-N 3.08Å; A240-I243 PolarHBondContact O-N 3.11Å; A240-S244 WeakPolarHBondContact O-CB 3.3Å; A240-S244 PolarHBondContact O-N 3.45Å; A240-S244 PolarHBondContact O-OG 3.2Å
241	E	78.2	Confident	79.1	Confident	97 Å²	97	31.2 Å²	31.2	45%	0.453	19%	0.189	S	C	.	.	H	α-helix	trans	-67.4	-34.1	176	-60.3	179	161.2	0	0	113.3	L208 K239 I243 S244 T245	L208-E241 HydrophobicContact CD1-CB 3.67Å; K239-E241 HydrophobicContact CD-CB 4.37Å; K239-E241 WeakPolarHBondContact CE-OE2 3.39Å; K239-E241 HydrophobicContact CG-CB 4.46Å; K239-E241 IonicContact NZ-OE2 3.76Å; K239-E241 PolarHBondContact NZ-OE2 3Å; K239-E241 PolarHBondContact O-N 3.4Å; K239-E241 VanDerWaalsContact O-N 3.16Å; E241-I243 VanDerWaalsContact C-N 3.33Å; E241-S244 WeakPolarHBondContact CA-OG 3.49Å; E241-S244 PolarHBondContact O-OG 2.87Å; E241-T245 WeakPolarHBondContact O-CG2 3.43Å; E241-T245 PolarHBondContact O-N 3.49Å; E241-T245 VanDerWaalsContact O-N 3.14Å; E241-T245 PolarHBondContact O-OG1 3.13Å
242	A	77	Confident	78.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-72.7	-30	174.8	0	0	0	0	0	111.2	L230 Y234 K239 T245 L246 I271	L230-A242 HydrophobicContact CD2-CB 3.93Å; Y234-A242 HydrophobicContact CD2-CB 4.07Å; Y234-A242 HydrophobicContact CG-CB 4.03Å; K239-A242 HydrophobicContact CB-CB 4.38Å; K239-A242 WeakPolarHBondContact O-CB 3.48Å; K239-A242 PolarHBondContact O-N 2.82Å; A242-T245 WeakPolarHBondContact CA-OG1 3.46Å; A242-T245 PolarHBondContact O-OG1 2.9Å; A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 2.92Å; A242-I271 HydrophobicContact CB-CD1 3.96Å
243	I	80.6	Confident	77.9	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-75.1	-44	173.6	-65.4	170.9	0	0	0	110.9	K239 A240 E241 T245 L246 T247 I271 V280	K239-I243 PolarHBondContact O-N 3.4Å; A240-I243 PolarHBondContact O-N 3.11Å; E241-I243 VanDerWaalsContact C-N 3.33Å; I243-T245 VanDerWaalsContact C-N 3.32Å; I243-T245 PolarHBondContact O-N 2.89Å; I243-L246 PolarHBondContact O-N 3.04Å; I243-T247 WeakPolarHBondContact O-CB 3.19Å; I243-T247 PolarHBondContact O-N 3.24Å; I243-T247 PolarHBondContact O-OG1 3.43Å; I243-I271 HydrophobicContact CD1-CG2 4.19Å; I243-I271 HydrophobicContact CG1-CG2 3.92Å; I243-V280 HydrophobicContact CD1-CG2 3.97Å; I243-V280 HydrophobicContact CG1-CG2 4.13Å; I243-V280 HydrophobicContact CG2-CG2 3.61Å
244	S	82.6	Confident	77.3	Confident	72 Å²	72	41.1 Å²	41.1	50%	0.503	24%	0.243	S	C	.	.	H	α-helix	trans	-68.7	-28.4	-178.6	68.3	0	0	0	0	113.2	A240 E241 P248	A240-S244 WeakPolarHBondContact O-CB 3.3Å; A240-S244 PolarHBondContact O-N 3.45Å; A240-S244 PolarHBondContact O-OG 3.2Å; E241-S244 WeakPolarHBondContact CA-OG 3.49Å; E241-S244 PolarHBondContact O-OG 2.87Å; S244-P248 WeakPolarHBondContact O-CD 3.34Å
245	T	80.7	Confident	76.3	Confident	41 Å²	41	45.6 Å²	45.6	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-75.8	-30.3	171.9	45.2	0	0	0	0	113.5	E241 A242 I243	E241-T245 WeakPolarHBondContact O-CG2 3.43Å; E241-T245 PolarHBondContact O-N 3.49Å; E241-T245 VanDerWaalsContact O-N 3.14Å; E241-T245 PolarHBondContact O-OG1 3.13Å; A242-T245 WeakPolarHBondContact CA-OG1 3.46Å; A242-T245 PolarHBondContact O-OG1 2.9Å; I243-T245 VanDerWaalsContact C-N 3.32Å; I243-T245 PolarHBondContact O-N 2.89Å
246	L	80.5	Confident	75.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-81.9	-29.9	173.8	-70.4	176.6	0	0	0	113.7	I227 L230 A242 I243 V249 I250 A264 A268 I271	I227-L246 HydrophobicContact CG1-CD2 4.31Å; I227-L246 HydrophobicContact CG2-CD2 4.1Å; L230-L246 HydrophobicContact CD2-CD1 3.87Å; L230-L246 HydrophobicContact CD2-CD2 4.33Å; L230-L246 HydrophobicContact CD2-CG 3.94Å; A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 2.92Å; I243-L246 PolarHBondContact O-N 3.04Å; L246-V249 WeakPolarHBondContact O-CB 3.49Å; L246-V249 PolarHBondContact O-N 3.2Å; L246-I250 PolarHBondContact O-N 3.31Å; L246-I250 VanDerWaalsContact O-N 3.14Å; L246-A264 HydrophobicContact CD2-CB 4.27Å; L246-A268 HydrophobicContact CD1-CB 4.09Å; L246-I271 HydrophobicContact CD1-CD1 3.64Å
247	T	82.1	Confident	75.2	Confident	35 Å²	35	52.7 Å²	52.7	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-49	-50.7	-179.7	-64.1	0	0	0	0	114.3	I243 V249 I250 L251 T283	I243-T247 WeakPolarHBondContact O-CB 3.19Å; I243-T247 PolarHBondContact O-N 3.24Å; I243-T247 PolarHBondContact O-OG1 3.43Å; T247-V249 PolarHBondContact O-N 3.28Å; T247-I250 PolarHBondContact O-N 3.15Å; T247-L251 HydrophobicContact CG2-CD1 4.44Å; T247-L251 PolarHBondContact O-N 2.89Å; T247-L251 VanDerWaalsContact O-N 3.11Å; T247-T283 HydrophobicContact CG2-CG2 3.97Å
248	P	80.3	Confident	75.2	Confident	70 Å²	70	53.3 Å²	53.3	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-26.3	178.6	25.6	-35.1	0	0	0	113.4	S244 L251 D252	S244-P248 WeakPolarHBondContact O-CD 3.34Å; P248-L251 WeakPolarHBondContact O-CA 3.46Å; P248-L251 PolarHBondContact O-N 2.94Å; P248-D252 PolarHBondContact O-N 3.39Å
249	V	80	Confident	75.3	Confident	16 Å²	16	52.1 Å²	52.1	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-75.1	-35.2	178.4	-166.7	0	0	0	0	111.8	V215 I227 L246 T247 D252 H260 A261 A264	V215-V249 HydrophobicContact CG1-CG2 3.31Å; I227-V249 HydrophobicContact CD1-CG1 3.8Å; L246-V249 WeakPolarHBondContact O-CB 3.49Å; L246-V249 PolarHBondContact O-N 3.2Å; T247-V249 PolarHBondContact O-N 3.28Å; V249-D252 PolarHBondContact O-N 3.32Å; V249-H260 HydrophobicContact CG1-CB 4.45Å; V249-A261 WeakPolarHBondContact O-CB 3.39Å; V249-A264 HydrophobicContact CB-CB 3.84Å; V249-A264 HydrophobicContact CG1-CB 3.74Å
250	I	79.1	Confident	75.6	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-36.9	171.4	-63.4	167.5	0	0	0	109.6	L246 T247 D252 A264 A265 A268 I284	L246-I250 PolarHBondContact O-N 3.31Å; L246-I250 VanDerWaalsContact O-N 3.14Å; T247-I250 PolarHBondContact O-N 3.15Å; I250-D252 VanDerWaalsContact C-N 3.29Å; I250-D252 PolarHBondContact O-N 3.38Å; I250-A264 HydrophobicContact CG1-CB 3.82Å; I250-A265 HydrophobicContact CD1-CB 4.44Å; I250-A265 HydrophobicContact CG1-CB 4.29Å; I250-A268 HydrophobicContact CD1-CB 3.9Å; I250-I284 HydrophobicContact CD1-CG1 4.37Å; I250-I284 HydrophobicContact CG2-CG1 4.44Å
251	L	78.7	Confident	75.8	Confident	56 Å²	56	46.2 Å²	46.2	29%	0.293	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.5	169.2	53.9	77	0	0	0	116.1	T247 P248 T253 Q286	T247-L251 HydrophobicContact CG2-CD1 4.44Å; T247-L251 PolarHBondContact O-N 2.89Å; T247-L251 VanDerWaalsContact O-N 3.11Å; P248-L251 WeakPolarHBondContact O-CA 3.46Å; P248-L251 PolarHBondContact O-N 2.94Å; L251-T253 PolarHBondContact O-N 2.73Å; L251-T253 VanDerWaalsContact O-N 3.09Å; L251-Q286 HydrophobicContact CD2-CB 4.48Å; L251-Q286 HydrophobicContact CD2-CG 4.1Å
252	D	75.5	Confident	75.8	Confident	35 Å²	35	41.8 Å²	41.8	19%	0.187	25%	0.249	C	C	.	.			trans	-78.8	100.7	-168.5	-165.7	-18.2	0	0	0	111.3	P248 V249 I250 N254 K257	P248-D252 PolarHBondContact O-N 3.39Å; V249-D252 PolarHBondContact O-N 3.32Å; I250-D252 VanDerWaalsContact C-N 3.29Å; I250-D252 PolarHBondContact O-N 3.38Å; D252-N254 PolarHBondContact O-N 2.8Å; D252-N254 VanDerWaalsContact OD1-CB 3.22Å; D252-N254 WeakPolarHBondContact OD1-CB 3.35Å; D252-N254 PolarHBondContact OD1-N 3.49Å; D252-N254 PolarHBondContact OD1-ND2 3.19Å; D252-K257 WeakPolarHBondContact OD2-CD 3.41Å; D252-K257 WeakPolarHBondContact OD2-CE 3.39Å; D252-K257 IonicContact OD2-NZ 2.73Å; D252-K257 PolarHBondContact OD2-NZ 2.92Å
253	T	65.5	Low	76	Confident	82 Å²	82	41.8 Å²	41.8	50%	0.503	25%	0.249	S	C	.	.			trans	-78.6	3.5	-179.9	47.6	0	0	0	0	114.2	L251 T255 E290	L251-T253 PolarHBondContact O-N 2.73Å; L251-T253 VanDerWaalsContact O-N 3.09Å; T253-T255 PolarHBondContact O-N 3.3Å; T253-E290 HydrophobicContact CG2-CB 4.17Å
254	N	70.3	Confident	76.2	Confident	102 Å²	102	41.4 Å²	41.4	55%	0.545	25%	0.247	S	C	.	.			trans	-62	120	-179.6	-81.4	-69.8	0	0	0	112.8	D252 A256 K257 L258	D252-N254 PolarHBondContact O-N 2.8Å; D252-N254 VanDerWaalsContact OD1-CB 3.22Å; D252-N254 WeakPolarHBondContact OD1-CB 3.35Å; D252-N254 PolarHBondContact OD1-N 3.49Å; D252-N254 PolarHBondContact OD1-ND2 3.19Å; N254-A256 PolarHBondContact O-N 3.4Å; N254-K257 HydrophobicContact CB-CB 4.47Å; N254-K257 WeakPolarHBondContact O-CA 3.46Å; N254-K257 PolarHBondContact O-N 2.9Å; N254-L258 PolarHBondContact O-N 3.49Å
255	T	60.4	Low	76.4	Confident	105 Å²	105	38 Å²	38	64%	0.644	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-44	-40.4	178.4	-57.1	0	0	0	0	114.8	T253	T253-T255 PolarHBondContact O-N 3.3Å
256	A	61.1	Low	76.6	Confident	86 Å²	86	36 Å²	36	71%	0.711	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-68.5	-33.1	179.3	0	0	0	0	0	113	N254	N254-A256 PolarHBondContact O-N 3.4Å
257	K	70.1	Confident	76.8	Confident	85 Å²	85	36 Å²	36	37%	0.37	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-89.9	8.8	-177.4	-72.4	177.6	176.1	-175.2	0	113.8	D252 N254 Q259 H260 A261	D252-K257 WeakPolarHBondContact OD2-CD 3.41Å; D252-K257 WeakPolarHBondContact OD2-CE 3.39Å; D252-K257 IonicContact OD2-NZ 2.73Å; D252-K257 PolarHBondContact OD2-NZ 2.92Å; N254-K257 HydrophobicContact CB-CB 4.47Å; N254-K257 WeakPolarHBondContact O-CA 3.46Å; N254-K257 PolarHBondContact O-N 2.9Å; K257-Q259 PolarHBondContact O-N 3.13Å; K257-H260 WeakPolarHBondContact CA-CE1 3.12Å; K257-H260 WeakPolarHBondContact CA-ND1 3.44Å; K257-H260 HydrophobicContact CB-CB 4.41Å; K257-H260 WeakPolarHBondContact CB-CE1 3.47Å; K257-H260 WeakPolarHBondContact O-CA 3.17Å; K257-H260 VanDerWaalsContact O-CB 3.31Å; K257-H260 WeakPolarHBondContact O-CB 3.38Å; K257-H260 PolarHBondContact O-CE1 3.2Å; K257-H260 PolarHBondContact O-N 2.86Å; K257-H260 PolarHBondContact O-ND1 3.28Å; K257-A261 PolarHBondContact O-N 3.41Å
258	L	73.3	Confident	76.9	Confident	24 Å²	24	34.4 Å²	34.4	13%	0.126	20%	0.201	C	C	.	.	H	α-helix	trans	-45.9	-41.8	-178.6	-166.8	78.1	0	0	0	113.4	N254 C262 H295 N298	N254-L258 PolarHBondContact O-N 3.49Å; L258-C262 PolarHBondContact O-N 3.41Å; L258-C262 VanDerWaalsContact O-N 3.15Å; L258-C262 PolarHBondContact O-SG 3.11Å; L258-H295 HydrophobicContact CD1-CB 4.2Å; L258-H295 HydrophobicContact CD2-CB 4.25Å; L258-N298 HydrophobicContact CD2-CB 4.18Å
259	Q	74.7	Confident	77.1	Confident	46 Å²	46	31 Å²	31	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-41.9	176.3	-61.5	-166.4	-10.3	0	0	113	K257 L263 F300 H636	K257-Q259 PolarHBondContact O-N 3.13Å; Q259-L263 WeakPolarHBondContact O-CB 3.5Å; Q259-L263 WeakPolarHBondContact O-CD1 3.44Å; Q259-L263 WeakPolarHBondContact O-CG 3.33Å; Q259-L263 PolarHBondContact O-N 2.87Å; Q259-F300 HydrophobicContact CB-CD1 4.22Å; Q259-F300 HydrophobicContact CB-CE1 4.13Å; Q259-F300 HydrophobicContact CB-CZ 4.45Å; Q259-F300 VanDerWaalsContact CD-CZ 3.5Å; Q259-F300 HydrophobicContact CG-CD1 4.13Å; Q259-F300 HydrophobicContact CG-CD2 3.99Å; Q259-F300 HydrophobicContact CG-CE1 3.94Å; Q259-F300 HydrophobicContact CG-CE2 3.81Å; Q259-F300 HydrophobicContact CG-CG 4.17Å; Q259-F300 HydrophobicContact CG-CZ 3.79Å; Q259-F300 VanDerWaalsContact NE2-CE2 3.27Å; Q259-H636 PolarHBondContact OE1-CE1 3.47Å; Q259-H636 VanDerWaalsContact OE1-CE1 3.29Å
260	H	79.2	Confident	77.3	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-48.6	-179	-55.7	76.3	0	0	0	110.8	D220 S223 I227 V249 K257 C262 L263 A264	D220-H260 WeakPolarHBondContact CB-NE2 3.39Å; D220-H260 IonicContact OD1-NE2 3.87Å; D220-H260 PolarHBondContact OD1-NE2 2.73Å; D220-H260 IonicContact OD2-NE2 2.78Å; S223-H260 PolarHBondContact OG-CD2 3.31Å; S223-H260 VanDerWaalsContact OG-CD2 3.27Å; I227-H260 HydrophobicContact CD1-CB 4.05Å; V249-H260 HydrophobicContact CG1-CB 4.45Å; K257-H260 WeakPolarHBondContact CA-CE1 3.12Å; K257-H260 WeakPolarHBondContact CA-ND1 3.44Å; K257-H260 HydrophobicContact CB-CB 4.41Å; K257-H260 WeakPolarHBondContact CB-CE1 3.47Å; K257-H260 WeakPolarHBondContact O-CA 3.17Å; K257-H260 VanDerWaalsContact O-CB 3.31Å; K257-H260 WeakPolarHBondContact O-CB 3.38Å; K257-H260 PolarHBondContact O-CE1 3.2Å; K257-H260 PolarHBondContact O-N 2.86Å; K257-H260 PolarHBondContact O-ND1 3.28Å; H260-C262 PolarHBondContact O-N 3.29Å; H260-L263 CarbonylContact O-C 3.53Å; H260-L263 PolarHBondContact O-N 3.27Å; H260-L263 VanDerWaalsContact O-N 3.17Å; H260-A264 WeakPolarHBondContact O-CB 3.44Å; H260-A264 PolarHBondContact O-N 2.96Å
261	A	80.9	Confident	77.5	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-67.4	-36.1	-178.5	0	0	0	0	0	112.1	V249 K257 A264 A265	V249-A261 WeakPolarHBondContact O-CB 3.39Å; K257-A261 PolarHBondContact O-N 3.41Å; A261-A264 PolarHBondContact O-N 2.94Å; A261-A265 PolarHBondContact O-N 3.44Å
262	C	79.3	Confident	77.6	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-37.4	171	-68.3	0	0	0	0	112.8	L258 H260 L266 F300	L258-C262 PolarHBondContact O-N 3.41Å; L258-C262 VanDerWaalsContact O-N 3.15Å; L258-C262 PolarHBondContact O-SG 3.11Å; H260-C262 PolarHBondContact O-N 3.29Å; C262-L266 WeakPolarHBondContact O-CB 3.27Å; C262-L266 PolarHBondContact O-N 2.66Å; C262-F300 HydrophobicContact CB-CB 3.97Å; C262-F300 WeakPolarHBondContact CB-O 3.3Å; C262-F300 PolarHBondContact SG-O 3.02Å
263	L	81.9	Confident	77.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-71.1	-33.9	173.9	-72.8	165.7	0	0	0	112	R224 I227 I228 Q259 H260 L266 S267 Y638 L639 Y642	R224-L263 HydrophobicContact CB-CD1 4.38Å; R224-L263 HydrophobicContact CG-CD1 3.92Å; I227-L263 HydrophobicContact CG2-CB 4.07Å; I228-L263 HydrophobicContact CD1-CD1 4.29Å; I228-L263 HydrophobicContact CD1-CD2 4.39Å; I228-L263 HydrophobicContact CG1-CD2 4.31Å; Q259-L263 WeakPolarHBondContact O-CB 3.5Å; Q259-L263 WeakPolarHBondContact O-CD1 3.44Å; Q259-L263 WeakPolarHBondContact O-CG 3.33Å; Q259-L263 PolarHBondContact O-N 2.87Å; H260-L263 CarbonylContact O-C 3.53Å; H260-L263 PolarHBondContact O-N 3.27Å; H260-L263 VanDerWaalsContact O-N 3.17Å; L263-L266 PolarHBondContact O-N 2.8Å; L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 3.31Å; L263-S267 PolarHBondContact O-OG 2.64Å; L263-Y638 HydrophobicContact CD1-CE2 4.36Å; L263-L639 HydrophobicContact CD2-CD2 3.92Å; L263-Y642 HydrophobicContact CD2-CE2 4.21Å
264	A	84.4	Confident	78.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.9	-42.3	177.7	0	0	0	0	0	111.5	I227 L246 V249 I250 H260 A261 L266 S267 A268	I227-A264 HydrophobicContact CG2-CB 4.04Å; L246-A264 HydrophobicContact CD2-CB 4.27Å; V249-A264 HydrophobicContact CB-CB 3.84Å; V249-A264 HydrophobicContact CG1-CB 3.74Å; I250-A264 HydrophobicContact CG1-CB 3.82Å; H260-A264 WeakPolarHBondContact O-CB 3.44Å; H260-A264 PolarHBondContact O-N 2.96Å; A261-A264 PolarHBondContact O-N 2.94Å; A264-L266 VanDerWaalsContact C-N 3.35Å; A264-S267 PolarHBondContact O-N 2.76Å; A264-A268 VanDerWaalsContact O-CB 3.28Å; A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 3.36Å
265	A	85.7	Confident	78.2	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-38.8	172.8	0	0	0	0	0	112.7	I250 A261 A268 G269 I284 M304	I250-A265 HydrophobicContact CD1-CB 4.44Å; I250-A265 HydrophobicContact CG1-CB 4.29Å; A261-A265 PolarHBondContact O-N 3.44Å; A265-A268 PolarHBondContact O-N 2.84Å; A265-G269 PolarHBondContact O-N 2.92Å; A265-I284 HydrophobicContact CB-CD1 3.97Å; A265-I284 HydrophobicContact CB-CG1 3.86Å; A265-I284 HydrophobicContact CB-CG2 4.26Å; A265-M304 HydrophobicContact CB-CE 4.05Å; A265-M304 HydrophobicContact CB-SD 3.2Å; A265-M304 WeakPolarHBondContact CB-SD 3.07Å
266	L	85.1	Confident	78.8	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.8	-40.3	175.8	-176.1	151.4	0	0	0	112	C262 L263 A264 G269 L270 F303 L306 I620 Y642	C262-L266 WeakPolarHBondContact O-CB 3.27Å; C262-L266 PolarHBondContact O-N 2.66Å; L263-L266 PolarHBondContact O-N 2.8Å; A264-L266 VanDerWaalsContact C-N 3.35Å; L266-G269 PolarHBondContact O-N 3.07Å; L266-L270 HydrophobicContact CD2-CD1 4.21Å; L266-L270 PolarHBondContact O-N 3.39Å; L266-F303 HydrophobicContact CD1-CB 3.64Å; L266-F303 HydrophobicContact CD1-CD1 3.55Å; L266-F303 HydrophobicContact CD1-CG 3.83Å; L266-L306 HydrophobicContact CD1-CB 4.43Å; L266-L306 HydrophobicContact CD1-CD2 4.01Å; L266-I620 HydrophobicContact CD1-CG1 4.15Å; L266-I620 HydrophobicContact CD1-CG2 4.13Å; L266-I620 HydrophobicContact CD2-CD1 3.8Å; L266-I620 HydrophobicContact CD2-CG1 4.11Å; L266-I620 HydrophobicContact CD2-CG2 4.19Å; L266-I620 HydrophobicContact CG-CD1 4.32Å; L266-I620 HydrophobicContact CG-CG1 4.26Å; L266-Y642 HydrophobicContact CD2-CD1 4.29Å; L266-Y642 HydrophobicContact CD2-CD2 4.3Å; L266-Y642 HydrophobicContact CD2-CE1 3.7Å; L266-Y642 HydrophobicContact CD2-CE2 3.7Å; L266-Y642 WeakPolarHBondContact CD2-OH 3.25Å
267	S	84.7	Confident	79.5	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.7	-37	172.5	-77.3	0	0	0	0	112.5	I227 L263 A264 L270 I271 Y642	I227-S267 WeakPolarHBondContact O-CB 3.36Å; I227-S267 PolarHBondContact O-OG 3.37Å; L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 3.31Å; L263-S267 PolarHBondContact O-OG 2.64Å; A264-S267 PolarHBondContact O-N 2.76Å; S267-L270 WeakPolarHBondContact O-CB 3.41Å; S267-L270 PolarHBondContact O-N 3.14Å; S267-I271 WeakPolarHBondContact O-CD1 3.29Å; S267-I271 WeakPolarHBondContact O-CG1 3.37Å; S267-I271 PolarHBondContact O-N 3.18Å; S267-Y642 PolarHBondContact OG-OH 3.1Å; S267-Y642 VanDerWaalsContact OG-OH 3.12Å
268	A	84.1	Confident	80	Confident	1 Å²	1	11 Å²	11	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-67	-45.2	174	0	0	0	0	0	111.2	L246 I250 A264 A265 L270 I271 S272 V280	L246-A268 HydrophobicContact CD1-CB 4.09Å; I250-A268 HydrophobicContact CD1-CB 3.9Å; A264-A268 VanDerWaalsContact O-CB 3.28Å; A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 3.36Å; A265-A268 PolarHBondContact O-N 2.84Å; A268-L270 PolarHBondContact O-N 3.39Å; A268-I271 PolarHBondContact O-N 3.28Å; A268-S272 PolarHBondContact O-N 3.24Å; A268-S272 VanDerWaalsContact O-N 3.11Å; A268-S272 PolarHBondContact O-OG 2.9Å; A268-V280 HydrophobicContact CB-CG1 3.86Å
269	G	84.6	Confident	80.4	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-27.3	172.5	0	0	0	0	0	113.8	A265 L266 V273	A265-G269 PolarHBondContact O-N 2.92Å; L266-G269 PolarHBondContact O-N 3.07Å; G269-V273 WeakPolarHBondContact O-CG2 3.21Å; G269-V273 PolarHBondContact O-N 2.95Å
270	L	84.7	Confident	80.7	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-74.7	-25.3	170.4	-89.4	174.7	0	0	0	114.4	A235 G236 L266 S267 A268 V273 L310 A616 I620 Y642	A235-L270 CarbonylContact C-O 3.54Å; A235-L270 VanDerWaalsContact CA-O 3.3Å; A235-L270 WeakPolarHBondContact CA-O 3.48Å; G236-L270 PolarHBondContact N-O 3.44Å; L266-L270 HydrophobicContact CD2-CD1 4.21Å; L266-L270 PolarHBondContact O-N 3.39Å; S267-L270 WeakPolarHBondContact O-CB 3.41Å; S267-L270 PolarHBondContact O-N 3.14Å; A268-L270 PolarHBondContact O-N 3.39Å; L270-V273 HydrophobicContact CD2-CG2 4.48Å; L270-V273 WeakPolarHBondContact O-CG2 3.45Å; L270-L310 HydrophobicContact CD2-CD1 4.41Å; L270-L310 HydrophobicContact CG-CD1 4.29Å; L270-A616 HydrophobicContact CD2-CB 3.77Å; L270-I620 HydrophobicContact CD1-CD1 3.58Å; L270-I620 HydrophobicContact CD2-CD1 3.72Å; L270-I620 HydrophobicContact CG-CD1 3.68Å; L270-Y642 HydrophobicContact CD1-CD1 3.41Å; L270-Y642 VanDerWaalsContact CD1-CD1 3.41Å; L270-Y642 HydrophobicContact CD1-CE1 3.44Å; L270-Y642 VanDerWaalsContact CD1-CE1 3.44Å
271	I	84.4	Confident	80.8	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-81.6	-36.6	177.8	-65.9	158.2	0	0	0	110.5	L230 G236 M238 A242 I243 L246 S267 A268	L230-I271 HydrophobicContact CD2-CD1 3.94Å; G236-I271 CarbonylContact C-O 3.4Å; M238-I271 PolarHBondContact N-O 2.78Å; A242-I271 HydrophobicContact CB-CD1 3.96Å; I243-I271 HydrophobicContact CD1-CG2 4.19Å; I243-I271 HydrophobicContact CG1-CG2 3.92Å; L246-I271 HydrophobicContact CD1-CD1 3.64Å; S267-I271 WeakPolarHBondContact O-CD1 3.29Å; S267-I271 WeakPolarHBondContact O-CG1 3.37Å; S267-I271 PolarHBondContact O-N 3.18Å; A268-I271 PolarHBondContact O-N 3.28Å
272	S	79.6	Confident	80.9	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.007	10%	0.099	C	C	.	.	S	Bend	trans	-107.7	35.6	-178.3	60.8	0	0	0	0	114.4	A268 G274 S275 T311	A268-S272 PolarHBondContact O-N 3.24Å; A268-S272 VanDerWaalsContact O-N 3.11Å; A268-S272 PolarHBondContact O-OG 2.9Å; S272-G274 PolarHBondContact O-N 2.96Å; S272-G274 VanDerWaalsContact O-N 3.13Å; S272-S275 PolarHBondContact O-N 3.25Å; S272-S275 PolarHBondContact O-OG 3.19Å; S272-T311 WeakPolarHBondContact OG-CG2 3.22Å
273	V	78.9	Confident	81.2	Confident	10 Å²	10	15.1 Å²	15.1	6%	0.061	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	117.7	-178.4	-170.7	0	0	0	0	111	G269 L270 S275 L310 L313 P612 A616	G269-V273 WeakPolarHBondContact O-CG2 3.21Å; G269-V273 PolarHBondContact O-N 2.95Å; L270-V273 HydrophobicContact CD2-CG2 4.48Å; L270-V273 WeakPolarHBondContact O-CG2 3.45Å; V273-S275 PolarHBondContact O-N 3.31Å; V273-S275 VanDerWaalsContact O-N 3.16Å; V273-L310 WeakPolarHBondContact CA-O 3.46Å; V273-L310 WeakPolarHBondContact CG1-O 3.47Å; V273-L313 HydrophobicContact CG1-CB 3.86Å; V273-L313 HydrophobicContact CG1-CD2 3.45Å; V273-L313 VanDerWaalsContact CG1-CD2 3.45Å; V273-L313 HydrophobicContact CG1-CG 4.29Å; V273-P612 HydrophobicContact CG1-CB 3.75Å; V273-A616 HydrophobicContact CG1-CB 4.37Å; V273-A616 HydrophobicContact CG2-CB 4.18Å
274	G	73.5	Confident	81.2	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	2.2	175.2	0	0	0	0	0	116.3	N8 S272 L310 T311 L313 R315	N8-G274 VanDerWaalsContact ND2-C 3.27Å; N8-G274 PolarHBondContact ND2-O 3.15Å; S272-G274 PolarHBondContact O-N 2.96Å; S272-G274 VanDerWaalsContact O-N 3.13Å; G274-L310 PolarHBondContact N-O 3.43Å; G274-L310 VanDerWaalsContact N-O 3.15Å; G274-T311 WeakPolarHBondContact CA-O 3.23Å; G274-T311 PolarHBondContact N-O 3Å; G274-L313 WeakPolarHBondContact CA-O 3.43Å; G274-R315 PolarHBondContact O-NE 3.28Å
275	S	72.6	Confident	81.1	Confident	21 Å²	21	16.8 Å²	16.8	15%	0.147	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.1	172.5	63.9	0	0	0	0	113.3	S272 V273 D277 R315	S272-S275 PolarHBondContact O-N 3.25Å; S272-S275 PolarHBondContact O-OG 3.19Å; V273-S275 PolarHBondContact O-N 3.31Å; V273-S275 VanDerWaalsContact O-N 3.16Å; S275-D277 VanDerWaalsContact C-N 3.31Å; S275-D277 PolarHBondContact O-N 2.96Å; S275-R315 PolarHBondContact O-NH2 2.92Å
276	L	71.6	Confident	81.1	Confident	37 Å²	37	20.9 Å²	20.9	19%	0.194	13%	0.131	C	C	.	.			trans	48.8	50.7	-178.7	-153.4	145.8	0	0	0	111.9	G278 T311 E318 I322	L276-G278 PolarHBondContact O-N 3.01Å; L276-G278 VanDerWaalsContact O-N 3.16Å; L276-T311 PolarHBondContact N-O 2.64Å; L276-E318 HydrophobicContact CD1-CB 3.9Å; L276-I322 HydrophobicContact CD1-CD1 3.67Å; L276-I322 HydrophobicContact CD2-CD1 4.06Å; L276-I322 HydrophobicContact CG-CD1 3.92Å
277	D	77.3	Confident	80.7	Confident	30 Å²	30	20.9 Å²	20.9	16%	0.16	13%	0.131	C	C	.	.			trans	-60.4	119.4	175.3	-170.6	-28.7	0	0	0	109.9	S275 T279 V280 T281	S275-D277 VanDerWaalsContact C-N 3.31Å; S275-D277 PolarHBondContact O-N 2.96Å; D277-T279 PolarHBondContact O-N 3.35Å; D277-T279 WeakPolarHBondContact OD1-CB 3.43Å; D277-T279 PolarHBondContact OD1-N 3.18Å; D277-T279 PolarHBondContact OD1-OG1 3.18Å; D277-T279 PolarHBondContact OD2-OG1 3.38Å; D277-V280 HydrophobicContact CB-CB 4.38Å; D277-V280 HydrophobicContact CB-CG2 4.2Å; D277-V280 PolarHBondContact O-N 2.89Å; D277-T281 VanDerWaalsContact O-CB 3.31Å; D277-T281 WeakPolarHBondContact O-CB 3.32Å; D277-T281 PolarHBondContact O-N 3.28Å; D277-T281 PolarHBondContact O-OG1 2.81Å
278	G	78.9	Confident	80.2	Confident	48 Å²	48	21 Å²	21	50%	0.495	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-26.7	179.2	0	0	0	0	0	113.2	L276 S282	L276-G278 PolarHBondContact O-N 3.01Å; L276-G278 VanDerWaalsContact O-N 3.16Å; G278-S282 WeakPolarHBondContact O-CB 3.41Å; G278-S282 PolarHBondContact O-N 3.45Å; G278-S282 PolarHBondContact O-OG 3.36Å
279	T	82	Confident	80	Confident	74 Å²	74	26.8 Å²	26.8	45%	0.454	16%	0.162	S	C	.	.	H	α-helix	trans	-69.9	-52.1	176.3	66.5	0	0	0	0	111.1	D277 T281 S282 T283	D277-T279 PolarHBondContact O-N 3.35Å; D277-T279 WeakPolarHBondContact OD1-CB 3.43Å; D277-T279 PolarHBondContact OD1-N 3.18Å; D277-T279 PolarHBondContact OD1-OG1 3.18Å; D277-T279 PolarHBondContact OD2-OG1 3.38Å; T279-T281 PolarHBondContact O-N 3.19Å; T279-S282 PolarHBondContact O-OG 3.26Å; T279-T283 WeakPolarHBondContact O-CB 3.33Å; T279-T283 VanDerWaalsContact O-CG2 3.24Å; T279-T283 WeakPolarHBondContact O-CG2 3.08Å; T279-T283 PolarHBondContact O-N 2.92Å; T279-T283 PolarHBondContact O-OG1 3.4Å
280	V	81.3	Confident	79.6	Confident	1 Å²	1	31 Å²	31	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-43.7	176.6	-177.7	0	0	0	0	110.7	I243 A268 D277 T283 I284 T311	I243-V280 HydrophobicContact CD1-CG2 3.97Å; I243-V280 HydrophobicContact CG1-CG2 4.13Å; I243-V280 HydrophobicContact CG2-CG2 3.61Å; A268-V280 HydrophobicContact CB-CG1 3.86Å; D277-V280 HydrophobicContact CB-CB 4.38Å; D277-V280 HydrophobicContact CB-CG2 4.2Å; D277-V280 PolarHBondContact O-N 2.89Å; V280-T283 WeakPolarHBondContact CA-OG1 3.42Å; V280-T283 PolarHBondContact O-OG1 2.89Å; V280-T283 VanDerWaalsContact O-OG1 3.11Å; V280-I284 HydrophobicContact CG1-CD1 3.67Å; V280-I284 HydrophobicContact CG1-CG1 4.4Å; V280-I284 VanDerWaalsContact O-CG1 3.25Å; V280-I284 WeakPolarHBondContact O-CG1 3.39Å; V280-I284 PolarHBondContact O-N 2.88Å; V280-T311 HydrophobicContact CB-CG2 4.34Å; V280-T311 HydrophobicContact CG1-CG2 3.74Å
281	T	80.8	Confident	78.8	Confident	8 Å²	8	32.1 Å²	32.1	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-67.4	-44.6	-177.2	-53.1	0	0	0	0	111.6	D277 T279 I285 L308 T311 I322	D277-T281 VanDerWaalsContact O-CB 3.31Å; D277-T281 WeakPolarHBondContact O-CB 3.32Å; D277-T281 PolarHBondContact O-N 3.28Å; D277-T281 PolarHBondContact O-OG1 2.81Å; T279-T281 PolarHBondContact O-N 3.19Å; T281-I285 HydrophobicContact CG2-CD1 4.02Å; T281-I285 WeakPolarHBondContact O-CB 3.46Å; T281-I285 VanDerWaalsContact O-CG1 3.26Å; T281-I285 WeakPolarHBondContact O-CG1 3.25Å; T281-I285 PolarHBondContact O-N 3.19Å; T281-L308 HydrophobicContact CG2-CD2 4.2Å; T281-T311 PolarHBondContact OG1-OG1 3.38Å; T281-I322 HydrophobicContact CG2-CD1 3.78Å; T281-I322 HydrophobicContact CG2-CG1 4.23Å
282	S	84.4	Confident	77.7	Confident	68 Å²	68	35.6 Å²	35.6	48%	0.476	21%	0.208	S	C	.	.	H	α-helix	trans	-69.5	-40.4	177.7	60	0	0	0	0	113.3	G278 T279 I285 Q286	G278-S282 WeakPolarHBondContact O-CB 3.41Å; G278-S282 PolarHBondContact O-N 3.45Å; G278-S282 PolarHBondContact O-OG 3.36Å; T279-S282 PolarHBondContact O-OG 3.26Å; S282-I285 PolarHBondContact O-N 3.38Å; S282-Q286 WeakPolarHBondContact O-CB 3.37Å; S282-Q286 PolarHBondContact O-N 3.47Å
283	T	84	Confident	76.8	Confident	17 Å²	17	38.5 Å²	38.5	10%	0.104	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-37.9	178.1	51.4	0	0	0	0	112.2	T247 T279 V280 S287	T247-T283 HydrophobicContact CG2-CG2 3.97Å; T279-T283 WeakPolarHBondContact O-CB 3.33Å; T279-T283 VanDerWaalsContact O-CG2 3.24Å; T279-T283 WeakPolarHBondContact O-CG2 3.08Å; T279-T283 PolarHBondContact O-N 2.92Å; T279-T283 PolarHBondContact O-OG1 3.4Å; V280-T283 WeakPolarHBondContact CA-OG1 3.42Å; V280-T283 PolarHBondContact O-OG1 2.89Å; V280-T283 VanDerWaalsContact O-OG1 3.11Å; T283-S287 WeakPolarHBondContact O-CB 3.36Å; T283-S287 PolarHBondContact O-N 3.47Å
284	I	83.2	Confident	75.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-42.3	174	-58.1	167.9	0	0	0	111	I250 A265 V280 Q286 S287 L288 M304 L308	I250-I284 HydrophobicContact CD1-CG1 4.37Å; I250-I284 HydrophobicContact CG2-CG1 4.44Å; A265-I284 HydrophobicContact CB-CD1 3.97Å; A265-I284 HydrophobicContact CB-CG1 3.86Å; A265-I284 HydrophobicContact CB-CG2 4.26Å; V280-I284 HydrophobicContact CG1-CD1 3.67Å; V280-I284 HydrophobicContact CG1-CG1 4.4Å; V280-I284 VanDerWaalsContact O-CG1 3.25Å; V280-I284 WeakPolarHBondContact O-CG1 3.39Å; V280-I284 PolarHBondContact O-N 2.88Å; I284-Q286 VanDerWaalsContact C-N 3.34Å; I284-Q286 PolarHBondContact O-N 3.33Å; I284-S287 CarbonylContact O-C 3.53Å; I284-S287 WeakPolarHBondContact O-CA 3.46Å; I284-S287 WeakPolarHBondContact O-CB 3.32Å; I284-S287 PolarHBondContact O-N 2.92Å; I284-S287 VanDerWaalsContact O-N 3.08Å; I284-S287 PolarHBondContact O-OG 3.05Å; I284-L288 HydrophobicContact CG2-CD2 4.39Å; I284-L288 WeakPolarHBondContact O-CG 3.43Å; I284-L288 PolarHBondContact O-N 3.22Å; I284-M304 HydrophobicContact CG2-CG 4.39Å; I284-M304 HydrophobicContact CG2-SD 3.7Å; I284-L308 HydrophobicContact CB-CD2 3.84Å; I284-L308 HydrophobicContact CB-CG 4.07Å; I284-L308 HydrophobicContact CG2-CD1 3.91Å; I284-L308 HydrophobicContact CG2-CD2 3.93Å; I284-L308 HydrophobicContact CG2-CG 3.58Å
285	I	82.7	Confident	74.9	Confident	35 Å²	35	43.4 Å²	43.4	18%	0.179	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-43.8	174.4	-71.4	168.1	0	0	0	111.4	T281 S282 S287 L288 L289 L308 L326	T281-I285 HydrophobicContact CG2-CD1 4.02Å; T281-I285 WeakPolarHBondContact O-CB 3.46Å; T281-I285 VanDerWaalsContact O-CG1 3.26Å; T281-I285 WeakPolarHBondContact O-CG1 3.25Å; T281-I285 PolarHBondContact O-N 3.19Å; S282-I285 PolarHBondContact O-N 3.38Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 3.5Å; I285-L288 WeakPolarHBondContact O-CB 3.49Å; I285-L288 PolarHBondContact O-N 3.07Å; I285-L288 VanDerWaalsContact O-N 3.1Å; I285-L289 PolarHBondContact O-N 2.94Å; I285-L289 VanDerWaalsContact O-N 3.1Å; I285-L308 HydrophobicContact CG1-CD1 4.47Å; I285-L308 HydrophobicContact CG1-CD2 3.94Å; I285-L326 HydrophobicContact CG1-CD2 4.48Å
286	Q	83.9	Confident	74	Confident	86 Å²	86	43.5 Å²	43.5	40%	0.402	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-45.7	172.9	-179.6	176.1	-8	0	0	111	L251 S282 I284 L288 L289 E290	L251-Q286 HydrophobicContact CD2-CB 4.48Å; L251-Q286 HydrophobicContact CD2-CG 4.1Å; S282-Q286 WeakPolarHBondContact O-CB 3.37Å; S282-Q286 PolarHBondContact O-N 3.47Å; I284-Q286 VanDerWaalsContact C-N 3.34Å; I284-Q286 PolarHBondContact O-N 3.33Å; Q286-L288 PolarHBondContact O-N 3.33Å; Q286-L289 PolarHBondContact O-N 3.44Å; Q286-L289 VanDerWaalsContact O-N 3.07Å; Q286-E290 HydrophobicContact CG-CG 4.35Å; Q286-E290 VanDerWaalsContact CG-OE1 3.26Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.44Å; Q286-E290 PolarHBondContact NE2-OE1 2.9Å; Q286-E290 WeakPolarHBondContact O-CG 3.42Å; Q286-E290 PolarHBondContact O-N 2.86Å
287	S	77.1	Confident	73.2	Confident	1 Å²	1	46 Å²	46	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-19.1	176.7	86.8	0	0	0	0	114.1	T283 I284 I285 R291 M304	T283-S287 WeakPolarHBondContact O-CB 3.36Å; T283-S287 PolarHBondContact O-N 3.47Å; I284-S287 CarbonylContact O-C 3.53Å; I284-S287 WeakPolarHBondContact O-CA 3.46Å; I284-S287 WeakPolarHBondContact O-CB 3.32Å; I284-S287 PolarHBondContact O-N 2.92Å; I284-S287 VanDerWaalsContact O-N 3.08Å; I284-S287 PolarHBondContact O-OG 3.05Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 3.5Å; S287-R291 WeakPolarHBondContact O-CD 3.05Å; S287-R291 VanDerWaalsContact O-CG 3.22Å; S287-R291 WeakPolarHBondContact O-CG 3.39Å; S287-R291 PolarHBondContact O-NE 3.42Å; S287-M304 WeakPolarHBondContact OG-CE 3.21Å
288	L	75.6	Confident	72.6	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-76.9	-46.2	169.1	-56.1	-160	0	0	0	111.2	I284 I285 Q286 E290 R291 M304 L308 L326 V329 M333	I284-L288 HydrophobicContact CG2-CD2 4.39Å; I284-L288 WeakPolarHBondContact O-CG 3.43Å; I284-L288 PolarHBondContact O-N 3.22Å; I285-L288 WeakPolarHBondContact O-CB 3.49Å; I285-L288 PolarHBondContact O-N 3.07Å; I285-L288 VanDerWaalsContact O-N 3.1Å; Q286-L288 PolarHBondContact O-N 3.33Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-E290 PolarHBondContact O-N 3.08Å; L288-R291 PolarHBondContact O-N 3.31Å; L288-M304 HydrophobicContact CD2-CG 3.36Å; L288-M304 HydrophobicContact CD2-SD 4.34Å; L288-L308 HydrophobicContact CD1-CD1 3.66Å; L288-L308 HydrophobicContact CG-CD1 4.22Å; L288-L326 HydrophobicContact CD1-CD2 3.86Å; L288-V329 HydrophobicContact CB-CG1 4.39Å; L288-V329 HydrophobicContact CB-CG2 4.29Å; L288-V329 HydrophobicContact CD1-CG1 4.5Å; L288-V329 HydrophobicContact CD1-CG2 4.22Å; L288-M333 HydrophobicContact CB-SD 4.49Å; L288-M333 HydrophobicContact CD1-CE 4.14Å; L288-M333 HydrophobicContact CD1-SD 3.91Å; L288-M333 HydrophobicContact CD2-CE 3.56Å; L288-M333 HydrophobicContact CD2-SD 3.75Å; L288-M333 HydrophobicContact CG-CE 4.47Å; L288-M333 HydrophobicContact CG-SD 4.26Å
289	L	78.8	Confident	72	Confident	122 Å²	122	46.6 Å²	46.6	64%	0.639	28%	0.275	S	S	*	.	H	α-helix	trans	-67.3	-31.6	-174.1	-171.2	65.1	0	0	0	112.6	I285 Q286	I285-L289 PolarHBondContact O-N 2.94Å; I285-L289 VanDerWaalsContact O-N 3.1Å; Q286-L289 PolarHBondContact O-N 3.44Å; Q286-L289 VanDerWaalsContact O-N 3.07Å
290	E	76.2	Confident	71.4	Confident	88 Å²	88	43.9 Å²	43.9	41%	0.411	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.4	-179.4	-69	177.6	-178.8	0	0	114.3	T253 Q286 L288	T253-E290 HydrophobicContact CG2-CB 4.17Å; Q286-E290 HydrophobicContact CG-CG 4.35Å; Q286-E290 VanDerWaalsContact CG-OE1 3.26Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.44Å; Q286-E290 PolarHBondContact NE2-OE1 2.9Å; Q286-E290 WeakPolarHBondContact O-CG 3.42Å; Q286-E290 PolarHBondContact O-N 2.86Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-E290 PolarHBondContact O-N 3.08Å
291	R	68.7	Low	71	Confident	24 Å²	24	44.5 Å²	44.5	9%	0.091	26%	0.261	C	S	.	.	S	Bend	trans	-94.3	126.7	-173.5	-73.8	174.7	-161.8	-125.3	-15.2	113.1	S287 L288	S287-R291 WeakPolarHBondContact O-CD 3.05Å; S287-R291 VanDerWaalsContact O-CG 3.22Å; S287-R291 WeakPolarHBondContact O-CG 3.39Å; S287-R291 PolarHBondContact O-NE 3.42Å; L288-R291 PolarHBondContact O-N 3.31Å
292	P	60.2	Low	70.7	Confident	74 Å²	74	44.6 Å²	44.6	48%	0.481	26%	0.261	S	S	.	.			trans	-71.7	150.9	174.8	28.6	-34.2	0	0	0	112.5	S294 H295	P292-S294 PolarHBondContact O-N 2.85Å; P292-H295 PolarHBondContact O-CD2 3.08Å; P292-H295 VanDerWaalsContact O-CD2 3.25Å; P292-H295 PolarHBondContact O-N 3.18Å
293	A	60.9	Low	70.5	Confident	62 Å²	62	41.5 Å²	41.5	51%	0.512	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-63.8	-14.4	-170.2	0	0	0	0	0	115.7	H295 W296	A293-H295 PolarHBondContact O-N 3.13Å; A293-H295 VanDerWaalsContact O-N 3.13Å; A293-W296 PolarHBondContact O-N 3.2Å
294	S	55.6	Low	70.2	Confident	90 Å²	90	40.9 Å²	40.9	63%	0.629	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-63.2	-12.7	173.5	49.3	0	0	0	0	114	P292	P292-S294 PolarHBondContact O-N 2.85Å
295	H	57.2	Low	70.1	Confident	24 Å²	24	40.9 Å²	40.9	11%	0.111	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-85.6	-15.4	178.1	-65.5	-59.7	0	0	0	114.8	L258 P292 A293 S297 N298	L258-H295 HydrophobicContact CD1-CB 4.2Å; L258-H295 HydrophobicContact CD2-CB 4.25Å; P292-H295 PolarHBondContact O-CD2 3.08Å; P292-H295 VanDerWaalsContact O-CD2 3.25Å; P292-H295 PolarHBondContact O-N 3.18Å; A293-H295 PolarHBondContact O-N 3.13Å; A293-H295 VanDerWaalsContact O-N 3.13Å; H295-S297 VanDerWaalsContact C-N 3.35Å; H295-S297 PolarHBondContact O-N 3.42Å; H295-N298 WeakPolarHBondContact O-CB 3.23Å; H295-N298 PolarHBondContact O-N 3.48Å; H295-N298 PolarHBondContact O-ND2 3.17Å; H295-N298 VanDerWaalsContact O-ND2 3.07Å
296	W	54.3	Low	70	Confident	23 Å²	23	39.3 Å²	39.3	9%	0.087	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.7	-168.7	-62	143.9	0	0	0	115	A293 N298 S301 P332 M333	A293-W296 PolarHBondContact O-N 3.2Å; W296-N298 PolarHBondContact O-N 3.2Å; W296-N298 VanDerWaalsContact O-N 3.12Å; W296-S301 PolarHBondContact O-OG 3.25Å; W296-S301 VanDerWaalsContact O-OG 3.05Å; W296-P332 HydrophobicContact CG-CG 4.42Å; W296-M333 HydrophobicContact CD2-CB 4.12Å; W296-M333 HydrophobicContact CE3-CB 3.92Å; W296-M333 HydrophobicContact CE3-CG 4.16Å; W296-M333 HydrophobicContact CE3-SD 4.14Å; W296-M333 HydrophobicContact CH2-CB 3.68Å; W296-M333 HydrophobicContact CH2-CG 4.08Å; W296-M333 HydrophobicContact CH2-SD 3.48Å; W296-M333 WeakPolarHBondContact CH2-SD 2.94Å; W296-M333 HydrophobicContact CZ2-CB 3.81Å; W296-M333 HydrophobicContact CZ3-CB 3.73Å; W296-M333 HydrophobicContact CZ3-CE 4.43Å; W296-M333 HydrophobicContact CZ3-CG 3.78Å; W296-M333 HydrophobicContact CZ3-SD 3.23Å; W296-M333 WeakPolarHBondContact CZ3-SD 3.48Å
297	S	53.5	Low	69.9	Low	88 Å²	88	35.2 Å²	35.2	62%	0.615	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.5	179.2	58.2	0	0	0	0	114.9	H295	H295-S297 VanDerWaalsContact C-N 3.35Å; H295-S297 PolarHBondContact O-N 3.42Å
298	N	64.6	Low	70.2	Confident	66 Å²	66	35.1 Å²	35.1	35%	0.353	21%	0.207	S	C	.	.	S	Bend	trans	-79.9	130	176.1	-67.6	-82.9	0	0	0	110.7	L258 H295 W296 F300 S301	L258-N298 HydrophobicContact CD2-CB 4.18Å; H295-N298 WeakPolarHBondContact O-CB 3.23Å; H295-N298 PolarHBondContact O-N 3.48Å; H295-N298 PolarHBondContact O-ND2 3.17Å; H295-N298 VanDerWaalsContact O-ND2 3.07Å; W296-N298 PolarHBondContact O-N 3.2Å; W296-N298 VanDerWaalsContact O-N 3.12Å; N298-F300 PolarHBondContact O-N 3.46Å; N298-S301 WeakPolarHBondContact O-CB 3.48Å; N298-S301 PolarHBondContact O-N 2.96Å; N298-S301 PolarHBondContact O-OG 2.97Å
299	V	67.5	Low	70.5	Confident	25 Å²	25	35 Å²	35	15%	0.152	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-30.7	174	-177.8	0	0	0	0	113.6	S301 K302 D627 M630 T631	V299-S301 PolarHBondContact O-N 2.93Å; V299-K302 WeakPolarHBondContact O-CB 3.39Å; V299-K302 PolarHBondContact O-N 2.98Å; V299-D627 HydrophobicContact CG1-CB 4.08Å; V299-D627 WeakPolarHBondContact CG1-OD2 3.5Å; V299-D627 HydrophobicContact CG2-CB 4.17Å; V299-D627 WeakPolarHBondContact CG2-OD2 3.47Å; V299-M630 HydrophobicContact CG2-CB 3.82Å; V299-M630 HydrophobicContact CG2-CG 4.18Å; V299-T631 HydrophobicContact CG1-CG2 3.89Å
300	F	69.6	Low	70.7	Confident	17 Å²	17	29.3 Å²	29.3	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-14.6	178.5	-60.9	-88.8	0	0	0	114.8	Q259 C262 N298 K302 F303 M304 H636	Q259-F300 HydrophobicContact CB-CD1 4.22Å; Q259-F300 HydrophobicContact CB-CE1 4.13Å; Q259-F300 HydrophobicContact CB-CZ 4.45Å; Q259-F300 VanDerWaalsContact CD-CZ 3.5Å; Q259-F300 HydrophobicContact CG-CD1 4.13Å; Q259-F300 HydrophobicContact CG-CD2 3.99Å; Q259-F300 HydrophobicContact CG-CE1 3.94Å; Q259-F300 HydrophobicContact CG-CE2 3.81Å; Q259-F300 HydrophobicContact CG-CG 4.17Å; Q259-F300 HydrophobicContact CG-CZ 3.79Å; Q259-F300 VanDerWaalsContact NE2-CE2 3.27Å; C262-F300 HydrophobicContact CB-CB 3.97Å; C262-F300 WeakPolarHBondContact CB-O 3.3Å; C262-F300 PolarHBondContact SG-O 3.02Å; N298-F300 PolarHBondContact O-N 3.46Å; F300-K302 VanDerWaalsContact C-N 3.3Å; F300-F303 AromaticContact CD1-CD2 3.86Å; F300-F303 HydrophobicContact CD1-CD2 3.86Å; F300-F303 HydrophobicContact CD1-CE2 4.24Å; F300-F303 HydrophobicContact CE1-CD2 4.42Å; F300-F303 HydrophobicContact CE1-CE2 4.4Å; F300-F303 HydrophobicContact CG-CD2 4.46Å; F300-F303 PolarHBondContact O-N 3.09Å; F300-M304 PolarHBondContact O-N 3.45Å; F300-H636 AromaticContact CZ-CE1 3.86Å; F300-H636 AromaticContact CZ-NE2 3.78Å
301	S	72.6	Confident	71	Confident	15 Å²	15	25.1 Å²	25.1	11%	0.105	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-39.1	170.6	62.6	0	0	0	0	111.4	W296 N298 V299 F303 M304 A305	W296-S301 PolarHBondContact O-OG 3.25Å; W296-S301 VanDerWaalsContact O-OG 3.05Å; N298-S301 WeakPolarHBondContact O-CB 3.48Å; N298-S301 PolarHBondContact O-N 2.96Å; N298-S301 PolarHBondContact O-OG 2.97Å; V299-S301 PolarHBondContact O-N 2.93Å; S301-F303 VanDerWaalsContact C-N 3.34Å; S301-F303 PolarHBondContact O-N 2.97Å; S301-M304 PolarHBondContact O-N 2.93Å; S301-A305 PolarHBondContact O-N 3.08Å; S301-A305 VanDerWaalsContact O-N 3.14Å
302	K	74.8	Confident	71.4	Confident	10 Å²	10	24 Å²	24	4%	0.043	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-43.2	175.4	-62.2	171.7	177.4	172.1	0	111.5	V299 F300 M304 A305 L306 M336 D627	V299-K302 WeakPolarHBondContact O-CB 3.39Å; V299-K302 PolarHBondContact O-N 2.98Å; F300-K302 VanDerWaalsContact C-N 3.3Å; K302-M304 PolarHBondContact O-N 3.22Å; K302-A305 PolarHBondContact O-N 3.47Å; K302-L306 WeakPolarHBondContact O-CB 3.46Å; K302-L306 PolarHBondContact O-N 3.32Å; K302-M336 HydrophobicContact CB-SD 4.49Å; K302-M336 HydrophobicContact CG-CE 4.41Å; K302-M336 HydrophobicContact CG-SD 3.8Å; K302-D627 IonicContact NZ-OD1 2.67Å; K302-D627 PolarHBondContact NZ-OD1 2.82Å; K302-D627 IonicContact NZ-OD2 3.85Å; K302-D627 PolarHBondContact NZ-OD2 3.07Å
303	F	78.8	Confident	72.3	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-32.8	178.4	-64.6	-44.3	0	0	0	113.5	L266 F300 S301 L306 G307 L639	L266-F303 HydrophobicContact CD1-CB 3.64Å; L266-F303 HydrophobicContact CD1-CD1 3.55Å; L266-F303 HydrophobicContact CD1-CG 3.83Å; F300-F303 AromaticContact CD1-CD2 3.86Å; F300-F303 HydrophobicContact CD1-CD2 3.86Å; F300-F303 HydrophobicContact CD1-CE2 4.24Å; F300-F303 HydrophobicContact CE1-CD2 4.42Å; F300-F303 HydrophobicContact CE1-CE2 4.4Å; F300-F303 HydrophobicContact CG-CD2 4.46Å; F300-F303 PolarHBondContact O-N 3.09Å; S301-F303 VanDerWaalsContact C-N 3.34Å; S301-F303 PolarHBondContact O-N 2.97Å; F303-L306 VanDerWaalsContact O-CB 3.25Å; F303-L306 WeakPolarHBondContact O-CB 2.97Å; F303-L306 PolarHBondContact O-N 3.49Å; F303-G307 PolarHBondContact O-N 2.89Å; F303-G307 VanDerWaalsContact O-N 3.07Å; F303-L639 HydrophobicContact CE2-CD1 4.04Å; F303-L639 HydrophobicContact CZ-CD1 3.89Å
304	M	78.2	Confident	72.8	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.02	13%	0.126	C	C	.	.	H	α-helix	trans	-68	-46.1	175.3	-174	64	93.4	0	0	111.5	A265 I284 S287 L288 F300 S301 K302 L306 G307 M333	A265-M304 HydrophobicContact CB-CE 4.05Å; A265-M304 HydrophobicContact CB-SD 3.2Å; A265-M304 WeakPolarHBondContact CB-SD 3.07Å; I284-M304 HydrophobicContact CG2-CG 4.39Å; I284-M304 HydrophobicContact CG2-SD 3.7Å; S287-M304 WeakPolarHBondContact OG-CE 3.21Å; L288-M304 HydrophobicContact CD2-CG 3.36Å; L288-M304 HydrophobicContact CD2-SD 4.34Å; F300-M304 PolarHBondContact O-N 3.45Å; S301-M304 PolarHBondContact O-N 2.93Å; K302-M304 PolarHBondContact O-N 3.22Å; M304-L306 PolarHBondContact O-N 3.49Å; M304-G307 PolarHBondContact O-N 2.89Å; M304-M333 HydrophobicContact CB-CE 4.05Å; M304-M333 HydrophobicContact CG-CE 4.08Å
305	A	80.8	Confident	73.6	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-34.5	171.6	0	0	0	0	0	112	S301 K302 L308 G309 M333 A337 I340	S301-A305 PolarHBondContact O-N 3.08Å; S301-A305 VanDerWaalsContact O-N 3.14Å; K302-A305 PolarHBondContact O-N 3.47Å; A305-L308 PolarHBondContact O-N 2.98Å; A305-G309 PolarHBondContact O-N 3.46Å; A305-G309 VanDerWaalsContact O-N 3.15Å; A305-M333 HydrophobicContact CB-CE 3.83Å; A305-A337 HydrophobicContact CB-CB 4.33Å; A305-I340 HydrophobicContact CB-CD1 3.66Å; A305-I340 WeakPolarHBondContact O-CG2 3.48Å
306	L	80.7	Confident	74.6	Confident	2 Å²	2	21 Å²	21	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-43	174.6	-138	80.8	0	0	0	113	L266 K302 F303 M304 L308 G309 L310 I340 L619 I620 T623	L266-L306 HydrophobicContact CD1-CB 4.43Å; L266-L306 HydrophobicContact CD1-CD2 4.01Å; K302-L306 WeakPolarHBondContact O-CB 3.46Å; K302-L306 PolarHBondContact O-N 3.32Å; F303-L306 VanDerWaalsContact O-CB 3.25Å; F303-L306 WeakPolarHBondContact O-CB 2.97Å; F303-L306 PolarHBondContact O-N 3.49Å; M304-L306 PolarHBondContact O-N 3.49Å; L306-L308 VanDerWaalsContact C-N 3.29Å; L306-L308 PolarHBondContact O-N 3.46Å; L306-G309 WeakPolarHBondContact O-CA 3.36Å; L306-G309 PolarHBondContact O-N 3.07Å; L306-L310 WeakPolarHBondContact O-CG 3.35Å; L306-L310 PolarHBondContact O-N 3.01Å; L306-I340 HydrophobicContact CD1-CD1 4.4Å; L306-I340 HydrophobicContact CD1-CG2 4.35Å; L306-L619 HydrophobicContact CD1-CD2 3.57Å; L306-L619 HydrophobicContact CD2-CD2 3.83Å; L306-L619 HydrophobicContact CG-CD2 3.75Å; L306-I620 HydrophobicContact CD2-CB 4.18Å; L306-I620 HydrophobicContact CD2-CG1 3.57Å; L306-T623 HydrophobicContact CD1-CG2 3.76Å; L306-T623 WeakPolarHBondContact CD2-OG1 3.46Å
307	G	82.8	Confident	75.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.2	-45.2	179.5	0	0	0	0	0	112.3	F303 M304 L310 T311	F303-G307 PolarHBondContact O-N 2.89Å; F303-G307 VanDerWaalsContact O-N 3.07Å; M304-G307 PolarHBondContact O-N 2.89Å; G307-L310 PolarHBondContact O-N 3.24Å; G307-T311 PolarHBondContact O-N 3.18Å
308	L	82.8	Confident	76.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-44.9	173.2	-71.9	165.1	0	0	0	112.6	T281 I284 I285 L288 A305 L306 L310 T311 C312 L326	T281-L308 HydrophobicContact CG2-CD2 4.2Å; I284-L308 HydrophobicContact CB-CD2 3.84Å; I284-L308 HydrophobicContact CB-CG 4.07Å; I284-L308 HydrophobicContact CG2-CD1 3.91Å; I284-L308 HydrophobicContact CG2-CD2 3.93Å; I284-L308 HydrophobicContact CG2-CG 3.58Å; I285-L308 HydrophobicContact CG1-CD1 4.47Å; I285-L308 HydrophobicContact CG1-CD2 3.94Å; L288-L308 HydrophobicContact CD1-CD1 3.66Å; L288-L308 HydrophobicContact CG-CD1 4.22Å; A305-L308 PolarHBondContact O-N 2.98Å; L306-L308 VanDerWaalsContact C-N 3.29Å; L306-L308 PolarHBondContact O-N 3.46Å; L308-L310 PolarHBondContact O-N 3.42Å; L308-T311 PolarHBondContact O-N 3.39Å; L308-T311 PolarHBondContact O-OG1 2.9Å; L308-T311 VanDerWaalsContact O-OG1 3.06Å; L308-C312 PolarHBondContact O-N 3.4Å; L308-C312 PolarHBondContact O-SG 3.14Å; L308-L326 HydrophobicContact CD1-CD2 4.13Å
309	G	82.4	Confident	77.3	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.8	-37	175.4	0	0	0	0	0	112.7	A305 L306 C312 L313 C344	A305-G309 PolarHBondContact O-N 3.46Å; A305-G309 VanDerWaalsContact O-N 3.15Å; L306-G309 WeakPolarHBondContact O-CA 3.36Å; L306-G309 PolarHBondContact O-N 3.07Å; G309-C312 PolarHBondContact O-N 2.71Å; G309-L313 PolarHBondContact O-N 2.96Å; G309-C344 WeakPolarHBondContact O-CB 3.3Å; G309-C344 PolarHBondContact O-SG 3.07Å
310	L	82.8	Confident	77.8	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-71.7	-36.7	179.5	-65.7	-178.3	0	0	0	113.2	L270 V273 G274 L306 G307 L308 C312 L313 A616 I620	L270-L310 HydrophobicContact CD2-CD1 4.41Å; L270-L310 HydrophobicContact CG-CD1 4.29Å; V273-L310 WeakPolarHBondContact CA-O 3.46Å; V273-L310 WeakPolarHBondContact CG1-O 3.47Å; G274-L310 PolarHBondContact N-O 3.43Å; G274-L310 VanDerWaalsContact N-O 3.15Å; L306-L310 WeakPolarHBondContact O-CG 3.35Å; L306-L310 PolarHBondContact O-N 3.01Å; G307-L310 PolarHBondContact O-N 3.24Å; L308-L310 PolarHBondContact O-N 3.42Å; L310-C312 PolarHBondContact O-N 3.01Å; L310-L313 WeakPolarHBondContact O-CB 3.15Å; L310-L313 PolarHBondContact O-N 3.17Å; L310-A616 HydrophobicContact CD1-CB 4.15Å; L310-A616 HydrophobicContact CD2-CB 3.53Å; L310-A616 HydrophobicContact CG-CB 4.41Å; L310-I620 HydrophobicContact CD1-CD1 3.92Å; L310-I620 HydrophobicContact CD1-CG1 4.11Å
311	T	81.9	Confident	78.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-32.1	173	69.6	0	0	0	0	112	S272 G274 L276 V280 T281 G307 L308 L313	S272-T311 WeakPolarHBondContact OG-CG2 3.22Å; G274-T311 WeakPolarHBondContact CA-O 3.23Å; G274-T311 PolarHBondContact N-O 3Å; L276-T311 PolarHBondContact N-O 2.64Å; V280-T311 HydrophobicContact CB-CG2 4.34Å; V280-T311 HydrophobicContact CG1-CG2 3.74Å; T281-T311 PolarHBondContact OG1-OG1 3.38Å; G307-T311 PolarHBondContact O-N 3.18Å; L308-T311 PolarHBondContact O-N 3.39Å; L308-T311 PolarHBondContact O-OG1 2.9Å; L308-T311 VanDerWaalsContact O-OG1 3.06Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 2.91Å
312	C	77.9	Confident	78.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6	178.3	-61.8	0	0	0	0	114.9	L308 G309 L310 G314 R315 V319 I322	L308-C312 PolarHBondContact O-N 3.4Å; L308-C312 PolarHBondContact O-SG 3.14Å; G309-C312 PolarHBondContact O-N 2.71Å; L310-C312 PolarHBondContact O-N 3.01Å; C312-G314 PolarHBondContact O-N 3.21Å; C312-R315 PolarHBondContact O-N 3.1Å; C312-V319 HydrophobicContact CB-CG2 3.69Å; C312-I322 WeakPolarHBondContact SG-CD1 3.37Å
313	L	78.8	Confident	78.9	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.042	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	119.1	-165.6	-169.5	72.1	0	0	0	113	V273 G274 G309 L310 T311 R315 C344 A347 P612 L615	V273-L313 HydrophobicContact CG1-CB 3.86Å; V273-L313 HydrophobicContact CG1-CD2 3.45Å; V273-L313 VanDerWaalsContact CG1-CD2 3.45Å; V273-L313 HydrophobicContact CG1-CG 4.29Å; G274-L313 WeakPolarHBondContact CA-O 3.43Å; G309-L313 PolarHBondContact O-N 2.96Å; L310-L313 WeakPolarHBondContact O-CB 3.15Å; L310-L313 PolarHBondContact O-N 3.17Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 2.91Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-R315 PolarHBondContact O-N 3.14Å; L313-C344 HydrophobicContact CD1-CB 3.8Å; L313-A347 HydrophobicContact CD1-CB 3.73Å; L313-P612 HydrophobicContact CD2-CB 3.75Å; L313-P612 WeakPolarHBondContact CD2-O 3.4Å; L313-L615 HydrophobicContact CD1-CD2 4.23Å; L313-L615 HydrophobicContact CD2-CD2 4.44Å
314	G	71.3	Confident	79	Confident	37 Å²	37	37.3 Å²	37.3	38%	0.381	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-5.8	174.7	0	0	0	0	0	116.1	C312 C344	C312-G314 PolarHBondContact O-N 3.21Å; G314-C344 PolarHBondContact N-O 2.87Å
315	R	72.6	Confident	79	Confident	57 Å²	57	39.5 Å²	39.5	22%	0.215	22%	0.216	C	C	.	.			trans	-94.3	124.1	171	-60.7	-161.7	-176.3	-166	-5.2	109.5	G274 S275 C312 L313 E318 V319 A345	G274-R315 PolarHBondContact O-NE 3.28Å; S275-R315 PolarHBondContact O-NH2 2.92Å; C312-R315 PolarHBondContact O-N 3.1Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-R315 PolarHBondContact O-N 3.14Å; R315-E318 WeakPolarHBondContact CD-OE2 3.12Å; R315-E318 IonicContact CZ-OE2 3.14Å; R315-E318 IonicContact NE-OE2 3.24Å; R315-E318 IonicContact NH1-OE1 3Å; R315-E318 PolarHBondContact NH1-OE1 3.36Å; R315-E318 IonicContact NH1-OE2 2.7Å; R315-E318 PolarHBondContact NH1-OE2 3.49Å; R315-V319 WeakPolarHBondContact O-CG2 3.12Å; R315-A345 WeakPolarHBondContact O-CA 3.49Å; R315-A345 WeakPolarHBondContact O-CB 3.14Å
316	Q	78.2	Confident	78.9	Confident	87 Å²	87	39.6 Å²	39.6	41%	0.407	22%	0.217	S	C	.	.			trans	-93.3	-57.8	-172.8	-65.6	176.2	33.4	0	0	112.2	A345 Y346	Q316-A345 WeakPolarHBondContact CG-O 3.22Å; Q316-Y346 HydrophobicContact CB-CD1 4.46Å; Q316-Y346 HydrophobicContact CB-CE1 3.96Å; Q316-Y346 HydrophobicContact CG-CD1 3.88Å; Q316-Y346 HydrophobicContact CG-CE1 3.87Å
317	E	76.1	Confident	78.8	Confident	172 Å²	172	45.2 Å²	45.2	80%	0.804	24%	0.243	S	C	*	.	S	Bend	trans	-72.8	-40.6	-171	-59.9	-180	175.8	0	0	112.7	V319 E320	E317-V319 PolarHBondContact O-N 3.43Å; E317-V319 VanDerWaalsContact O-N 3.15Å; E317-E320 PolarHBondContact O-N 3.19Å
318	E	75.5	Confident	78.6	Confident	88 Å²	88	49 Å²	49	41%	0.411	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	-179.8	-63.9	-177.3	174.8	0	0	113.4	L276 R315 E320 V321	L276-E318 HydrophobicContact CD1-CB 3.9Å; R315-E318 WeakPolarHBondContact CD-OE2 3.12Å; R315-E318 IonicContact CZ-OE2 3.14Å; R315-E318 IonicContact NE-OE2 3.24Å; R315-E318 IonicContact NH1-OE1 3Å; R315-E318 PolarHBondContact NH1-OE1 3.36Å; R315-E318 IonicContact NH1-OE2 2.7Å; R315-E318 PolarHBondContact NH1-OE2 3.49Å; E318-E320 VanDerWaalsContact C-N 3.32Å; E318-E320 PolarHBondContact O-N 3.38Å; E318-V321 PolarHBondContact O-N 2.92Å
319	V	76.7	Confident	78.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-74.7	-20.9	-176.5	175.5	0	0	0	0	112.2	C312 R315 E317 V321 I322 L323 C341 A345	C312-V319 HydrophobicContact CB-CG2 3.69Å; R315-V319 WeakPolarHBondContact O-CG2 3.12Å; E317-V319 PolarHBondContact O-N 3.43Å; E317-V319 VanDerWaalsContact O-N 3.15Å; V319-V321 PolarHBondContact O-N 3.43Å; V319-I322 PolarHBondContact O-N 3.05Å; V319-L323 HydrophobicContact CG1-CD1 4.22Å; V319-L323 HydrophobicContact CG1-CD2 4.45Å; V319-L323 HydrophobicContact CG1-CG 3.96Å; V319-L323 WeakPolarHBondContact O-CG 3.23Å; V319-L323 PolarHBondContact O-N 3.28Å; V319-C341 HydrophobicContact CG1-CB 4.23Å; V319-A345 HydrophobicContact CB-CB 3.86Å; V319-A345 HydrophobicContact CG1-CB 3.89Å; V319-A345 HydrophobicContact CG2-CB 3.79Å
320	E	79.2	Confident	77.8	Confident	129 Å²	129	52.2 Å²	52.2	60%	0.603	30%	0.296	S	S	*	.	H	α-helix	trans	-59.8	-33.1	172.7	-62.9	-166.4	165.2	0	0	111.9	E317 E318 A324	E317-E320 PolarHBondContact O-N 3.19Å; E318-E320 VanDerWaalsContact C-N 3.32Å; E318-E320 PolarHBondContact O-N 3.38Å; E320-A324 WeakPolarHBondContact O-CB 3.43Å; E320-A324 PolarHBondContact O-N 3.24Å
321	V	81.6	Confident	76.8	Confident	110 Å²	110	59.3 Å²	59.3	67%	0.667	33%	0.329	S	S	*	.	H	α-helix	trans	-69.1	-38.9	174.6	-173.1	0	0	0	0	111.3	E318 V319 S325	E318-V321 PolarHBondContact O-N 2.92Å; V319-V321 PolarHBondContact O-N 3.43Å; V321-S325 PolarHBondContact O-N 3.24Å; V321-S325 VanDerWaalsContact O-N 3.08Å; V321-S325 PolarHBondContact O-OG 3.01Å
322	I	78.3	Confident	76.2	Confident	10 Å²	10	61 Å²	61	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-44.8	176.1	-65.3	177.9	0	0	0	110.4	L276 T281 C312 V319 A324 S325 L326	L276-I322 HydrophobicContact CD1-CD1 3.67Å; L276-I322 HydrophobicContact CD2-CD1 4.06Å; L276-I322 HydrophobicContact CG-CD1 3.92Å; T281-I322 HydrophobicContact CG2-CD1 3.78Å; T281-I322 HydrophobicContact CG2-CG1 4.23Å; C312-I322 WeakPolarHBondContact SG-CD1 3.37Å; V319-I322 PolarHBondContact O-N 3.05Å; I322-A324 VanDerWaalsContact C-N 3.32Å; I322-A324 PolarHBondContact O-N 3.45Å; I322-S325 PolarHBondContact O-N 2.68Å; I322-S325 VanDerWaalsContact O-N 3.14Å; I322-S325 PolarHBondContact O-OG 3.12Å; I322-L326 HydrophobicContact CG2-CD1 4.01Å; I322-L326 HydrophobicContact CG2-CG 4.38Å; I322-L326 WeakPolarHBondContact O-CG 3.39Å; I322-L326 PolarHBondContact O-N 3.37Å
323	L	79.8	Confident	75.7	Confident	16 Å²	16	61.2 Å²	61.2	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-42.7	176.5	-64.7	175	0	0	0	111.4	V319 S325 L326 E327 H338 C341	V319-L323 HydrophobicContact CG1-CD1 4.22Å; V319-L323 HydrophobicContact CG1-CD2 4.45Å; V319-L323 HydrophobicContact CG1-CG 3.96Å; V319-L323 WeakPolarHBondContact O-CG 3.23Å; V319-L323 PolarHBondContact O-N 3.28Å; L323-S325 PolarHBondContact O-N 3.37Å; L323-L326 PolarHBondContact O-N 3.22Å; L323-E327 PolarHBondContact O-N 3.15Å; L323-H338 HydrophobicContact CD2-CB 4.19Å; L323-H338 WeakPolarHBondContact CD2-O 3.34Å; L323-C341 HydrophobicContact CD2-CB 3.86Å
324	A	80.7	Confident	75.5	Confident	61 Å²	61	63.4 Å²	63.4	50%	0.504	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-39.3	174.6	0	0	0	0	0	113	E320 I322 E327	E320-A324 WeakPolarHBondContact O-CB 3.43Å; E320-A324 PolarHBondContact O-N 3.24Å; I322-A324 VanDerWaalsContact C-N 3.32Å; I322-A324 PolarHBondContact O-N 3.45Å; A324-E327 WeakPolarHBondContact O-CB 3.28Å; A324-E327 PolarHBondContact O-N 3.26Å
325	S	79.1	Confident	75.7	Confident	50 Å²	50	63.9 Å²	63.9	35%	0.35	35%	0.348	S	S	.	.	H	α-helix	trans	-72.5	-28.9	175.2	63.5	0	0	0	0	113.5	V321 I322 L323 E327 A328	V321-S325 PolarHBondContact O-N 3.24Å; V321-S325 VanDerWaalsContact O-N 3.08Å; V321-S325 PolarHBondContact O-OG 3.01Å; I322-S325 PolarHBondContact O-N 2.68Å; I322-S325 VanDerWaalsContact O-N 3.14Å; I322-S325 PolarHBondContact O-OG 3.12Å; L323-S325 PolarHBondContact O-N 3.37Å; S325-E327 PolarHBondContact O-N 3.34Å; S325-A328 PolarHBondContact O-N 3.06Å
326	L	78.2	Confident	75.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-69	-15.3	171.5	-72	171.3	0	0	0	113.4	I285 L288 L308 I322 L323 A328 V329 A337	I285-L326 HydrophobicContact CG1-CD2 4.48Å; L288-L326 HydrophobicContact CD1-CD2 3.86Å; L308-L326 HydrophobicContact CD1-CD2 4.13Å; I322-L326 HydrophobicContact CG2-CD1 4.01Å; I322-L326 HydrophobicContact CG2-CG 4.38Å; I322-L326 WeakPolarHBondContact O-CG 3.39Å; I322-L326 PolarHBondContact O-N 3.37Å; L323-L326 PolarHBondContact O-N 3.22Å; L326-A328 PolarHBondContact O-N 3.26Å; L326-V329 HydrophobicContact CD2-CG2 4.17Å; L326-V329 WeakPolarHBondContact O-CB 3.14Å; L326-V329 PolarHBondContact O-N 3.27Å; L326-V329 VanDerWaalsContact O-N 3.13Å; L326-A337 HydrophobicContact CD1-CB 4.17Å; L326-A337 HydrophobicContact CD2-CB 4.23Å
327	E	78.6	Confident	75.8	Confident	121 Å²	121	57.7 Å²	57.7	57%	0.565	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.3	175.8	-67.9	-162.9	176	0	0	114.1	L323 A324 S325 V329 K334	L323-E327 PolarHBondContact O-N 3.15Å; A324-E327 WeakPolarHBondContact O-CB 3.28Å; A324-E327 PolarHBondContact O-N 3.26Å; S325-E327 PolarHBondContact O-N 3.34Å; E327-V329 VanDerWaalsContact C-N 3.31Å; E327-K334 PolarHBondContact O-NZ 3.28Å
328	A	77	Confident	76	Confident	79 Å²	79	52.9 Å²	52.9	65%	0.653	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.7	176.7	0	0	0	0	0	114	S325 L326	S325-A328 PolarHBondContact O-N 3.06Å; L326-A328 PolarHBondContact O-N 3.26Å
329	V	75.8	Confident	76.2	Confident	11 Å²	11	49.3 Å²	49.3	7%	0.067	28%	0.283	C	S	.	.	S	Bend	trans	-79.4	149.6	178.3	-176.3	0	0	0	0	110.2	L288 L326 E327 M333 K334	L288-V329 HydrophobicContact CB-CG1 4.39Å; L288-V329 HydrophobicContact CB-CG2 4.29Å; L288-V329 HydrophobicContact CD1-CG1 4.5Å; L288-V329 HydrophobicContact CD1-CG2 4.22Å; L326-V329 HydrophobicContact CD2-CG2 4.17Å; L326-V329 WeakPolarHBondContact O-CB 3.14Å; L326-V329 PolarHBondContact O-N 3.27Å; L326-V329 VanDerWaalsContact O-N 3.13Å; E327-V329 VanDerWaalsContact C-N 3.31Å; V329-M333 HydrophobicContact CG1-CB 4.36Å; V329-K334 WeakPolarHBondContact O-CD 3.21Å
330	S	73.2	Confident	76.5	Confident	56 Å²	56	49.6 Å²	49.6	39%	0.392	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-69.6	146.6	177.3	51.7	0	0	0	0	113.2	M333 K334	S330-M333 PolarHBondContact O-N 3.32Å; S330-K334 PolarHBondContact O-N 3.12Å; S330-K334 VanDerWaalsContact O-N 3.08Å
331	E	63	Low	76.7	Confident	151 Å²	151	43.4 Å²	43.4	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	142.4	164.8	-65.3	166.3	-165.9	0	0	108.7	K334	E331-K334 HydrophobicContact CG-CB 4.41Å; E331-K334 HydrophobicContact CG-CD 4.43Å
332	P	68.1	Low	76.8	Confident	35 Å²	35	38.8 Å²	38.8	23%	0.227	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.5	-2.6	5.8	36.8	-37.7	0	0	0	115.5	W296 K334 S335	W296-P332 HydrophobicContact CG-CG 4.42Å; P332-K334 VanDerWaalsContact C-N 3.28Å; P332-K334 PolarHBondContact O-N 3.04Å; P332-S335 PolarHBondContact O-OG 3.24Å
333	M	67.7	Low	76.9	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.02	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-35	-177.9	-160.6	-166.4	-173.5	0	0	112	L288 W296 M304 A305 V329 S330 S335 M336 A337	L288-M333 HydrophobicContact CB-SD 4.49Å; L288-M333 HydrophobicContact CD1-CE 4.14Å; L288-M333 HydrophobicContact CD1-SD 3.91Å; L288-M333 HydrophobicContact CD2-CE 3.56Å; L288-M333 HydrophobicContact CD2-SD 3.75Å; L288-M333 HydrophobicContact CG-CE 4.47Å; L288-M333 HydrophobicContact CG-SD 4.26Å; W296-M333 HydrophobicContact CD2-CB 4.12Å; W296-M333 HydrophobicContact CE3-CB 3.92Å; W296-M333 HydrophobicContact CE3-CG 4.16Å; W296-M333 HydrophobicContact CE3-SD 4.14Å; W296-M333 HydrophobicContact CH2-CB 3.68Å; W296-M333 HydrophobicContact CH2-CG 4.08Å; W296-M333 HydrophobicContact CH2-SD 3.48Å; W296-M333 WeakPolarHBondContact CH2-SD 2.94Å; W296-M333 HydrophobicContact CZ2-CB 3.81Å; W296-M333 HydrophobicContact CZ3-CB 3.73Å; W296-M333 HydrophobicContact CZ3-CE 4.43Å; W296-M333 HydrophobicContact CZ3-CG 3.78Å; W296-M333 HydrophobicContact CZ3-SD 3.23Å; W296-M333 WeakPolarHBondContact CZ3-SD 3.48Å; M304-M333 HydrophobicContact CB-CE 4.05Å; M304-M333 HydrophobicContact CG-CE 4.08Å; A305-M333 HydrophobicContact CB-CE 3.83Å; V329-M333 HydrophobicContact CG1-CB 4.36Å; S330-M333 PolarHBondContact O-N 3.32Å; M333-S335 PolarHBondContact O-N 3.03Å; M333-M336 PolarHBondContact O-N 3.07Å; M333-A337 WeakPolarHBondContact O-CB 3.5Å; M333-A337 PolarHBondContact O-N 3.42Å
334	K	74.4	Confident	76.8	Confident	55 Å²	55	38 Å²	38	24%	0.239	22%	0.223	C	C	.	.	H	α-helix	trans	-46.1	-51.6	176.5	175.7	169	170.9	166.4	0	113.6	E327 V329 S330 E331 P332 H338	E327-K334 PolarHBondContact O-NZ 3.28Å; V329-K334 WeakPolarHBondContact O-CD 3.21Å; S330-K334 PolarHBondContact O-N 3.12Å; S330-K334 VanDerWaalsContact O-N 3.08Å; E331-K334 HydrophobicContact CG-CB 4.41Å; E331-K334 HydrophobicContact CG-CD 4.43Å; P332-K334 VanDerWaalsContact C-N 3.28Å; P332-K334 PolarHBondContact O-N 3.04Å; K334-H338 WeakPolarHBondContact O-CB 3.33Å; K334-H338 PolarHBondContact O-N 3.44Å
335	S	75.4	Confident	76.9	Confident	47 Å²	47	35.2 Å²	35.2	33%	0.329	20%	0.199	S	C	.	.	H	α-helix	trans	-68.4	-37.8	179.4	54.1	0	0	0	0	112.3	P332 M333 M339 H471	P332-S335 PolarHBondContact O-OG 3.24Å; M333-S335 PolarHBondContact O-N 3.03Å; S335-M339 WeakPolarHBondContact O-CB 3.38Å; S335-M339 WeakPolarHBondContact O-CE 3.42Å; S335-M339 WeakPolarHBondContact O-CG 3.49Å; S335-M339 PolarHBondContact O-N 3.44Å; S335-H471 PolarHBondContact OG-CE1 3.02Å; S335-H471 PolarHBondContact OG-NE2 3.37Å
336	M	75.4	Confident	76.9	Confident	13 Å²	13	34 Å²	34	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-46.5	177.4	-166.4	178.7	-65.8	0	0	112.3	K302 M333 I340 A470 L474	K302-M336 HydrophobicContact CB-SD 4.49Å; K302-M336 HydrophobicContact CG-CE 4.41Å; K302-M336 HydrophobicContact CG-SD 3.8Å; M333-M336 PolarHBondContact O-N 3.07Å; M336-I340 HydrophobicContact CG-CD1 3.99Å; M336-I340 WeakPolarHBondContact O-CB 3.33Å; M336-I340 WeakPolarHBondContact O-CG1 3.36Å; M336-I340 PolarHBondContact O-N 2.92Å; M336-A470 HydrophobicContact CE-CB 4.23Å; M336-L474 HydrophobicContact CE-CD1 4.34Å; M336-L474 HydrophobicContact CG-CD1 3.57Å; M336-L474 HydrophobicContact SD-CD1 3.92Å
337	A	77.4	Confident	76.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-45.2	178.2	0	0	0	0	0	111.4	A305 L326 M333 M339 I340 C341	A305-A337 HydrophobicContact CB-CB 4.33Å; L326-A337 HydrophobicContact CD1-CB 4.17Å; L326-A337 HydrophobicContact CD2-CB 4.23Å; M333-A337 WeakPolarHBondContact O-CB 3.5Å; M333-A337 PolarHBondContact O-N 3.42Å; A337-M339 VanDerWaalsContact C-N 3.32Å; A337-M339 PolarHBondContact O-N 2.79Å; A337-I340 PolarHBondContact O-N 3.4Å; A337-C341 WeakPolarHBondContact O-CB 3.37Å; A337-C341 PolarHBondContact O-N 3.14Å; A337-C341 PolarHBondContact O-SG 3.46Å; A337-C341 VanDerWaalsContact O-SG 3.37Å
338	H	81.8	Confident	76.4	Confident	71 Å²	71	29.4 Å²	29.4	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-55.9	-46.8	175	-177.1	-53.8	0	0	0	111.4	L323 K334 D342	L323-H338 HydrophobicContact CD2-CB 4.19Å; L323-H338 WeakPolarHBondContact CD2-O 3.34Å; K334-H338 WeakPolarHBondContact O-CB 3.33Å; K334-H338 PolarHBondContact O-N 3.44Å; H338-D342 WeakPolarHBondContact O-CB 3.47Å; H338-D342 PolarHBondContact O-N 2.92Å
339	M	79.7	Confident	76.3	Confident	14 Å²	14	26.8 Å²	26.8	7%	0.069	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-51.2	176	-83.7	-169.3	-62.1	0	0	112.5	S335 A337 C341 D342 F343 H471 A475	S335-M339 WeakPolarHBondContact O-CB 3.38Å; S335-M339 WeakPolarHBondContact O-CE 3.42Å; S335-M339 WeakPolarHBondContact O-CG 3.49Å; S335-M339 PolarHBondContact O-N 3.44Å; A337-M339 VanDerWaalsContact C-N 3.32Å; A337-M339 PolarHBondContact O-N 2.79Å; M339-C341 VanDerWaalsContact C-N 3.34Å; M339-C341 PolarHBondContact O-N 3.14Å; M339-D342 PolarHBondContact O-N 3.43Å; M339-D342 VanDerWaalsContact O-N 3.17Å; M339-F343 HydrophobicContact CB-CE1 3.9Å; M339-F343 HydrophobicContact CB-CE2 3.93Å; M339-F343 HydrophobicContact CB-CZ 3.44Å; M339-F343 VanDerWaalsContact CB-CZ 3.44Å; M339-F343 HydrophobicContact CG-CE1 4.13Å; M339-F343 HydrophobicContact CG-CZ 3.73Å; M339-F343 WeakPolarHBondContact O-CD1 3.48Å; M339-F343 WeakPolarHBondContact O-CD2 3.4Å; M339-F343 WeakPolarHBondContact O-CE1 3.47Å; M339-F343 WeakPolarHBondContact O-CG 3.5Å; M339-F343 PolarHBondContact O-N 3.35Å; M339-F343 HydrophobicContact SD-CZ 3.98Å; M339-H471 HydrophobicContact CE-CB 3.73Å; M339-A475 HydrophobicContact SD-CB 4.44Å
340	I	82.5	Confident	76.2	Confident	7 Å²	7	27.1 Å²	27.1	4%	0.036	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-42	-177.5	-74.4	168	0	0	0	111.6	A305 L306 M336 A337 F343 C344 L474	A305-I340 HydrophobicContact CB-CD1 3.66Å; A305-I340 WeakPolarHBondContact O-CG2 3.48Å; L306-I340 HydrophobicContact CD1-CD1 4.4Å; L306-I340 HydrophobicContact CD1-CG2 4.35Å; M336-I340 HydrophobicContact CG-CD1 3.99Å; M336-I340 WeakPolarHBondContact O-CB 3.33Å; M336-I340 WeakPolarHBondContact O-CG1 3.36Å; M336-I340 PolarHBondContact O-N 2.92Å; A337-I340 PolarHBondContact O-N 3.4Å; I340-F343 PolarHBondContact O-N 3.33Å; I340-C344 PolarHBondContact O-N 3.25Å; I340-C344 PolarHBondContact O-SG 3.38Å; I340-L474 HydrophobicContact CD1-CD1 4.04Å; I340-L474 HydrophobicContact CD1-CD2 4.17Å; I340-L474 HydrophobicContact CG1-CD1 4.48Å; I340-L474 HydrophobicContact CG1-CD2 4.38Å
341	C	82.9	Confident	76.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-43.9	174.5	-68.7	0	0	0	0	111.9	V319 L323 A337 M339 F343 C344 A345	V319-C341 HydrophobicContact CG1-CB 4.23Å; L323-C341 HydrophobicContact CD2-CB 3.86Å; A337-C341 WeakPolarHBondContact O-CB 3.37Å; A337-C341 PolarHBondContact O-N 3.14Å; A337-C341 PolarHBondContact O-SG 3.46Å; A337-C341 VanDerWaalsContact O-SG 3.37Å; M339-C341 VanDerWaalsContact C-N 3.34Å; M339-C341 PolarHBondContact O-N 3.14Å; C341-F343 VanDerWaalsContact C-N 3.34Å; C341-F343 PolarHBondContact O-N 2.79Å; C341-C344 PolarHBondContact O-N 3.06Å; C341-A345 WeakPolarHBondContact O-CB 3.38Å; C341-A345 PolarHBondContact O-N 3.07Å
342	D	82.9	Confident	77.3	Confident	13 Å²	13	23.4 Å²	23.4	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-40.5	178.1	-158.2	22.7	0	0	0	112	H338 M339 C344 A345 Y346 K354	H338-D342 WeakPolarHBondContact O-CB 3.47Å; H338-D342 PolarHBondContact O-N 2.92Å; M339-D342 PolarHBondContact O-N 3.43Å; M339-D342 VanDerWaalsContact O-N 3.17Å; D342-C344 PolarHBondContact O-N 2.96Å; D342-A345 PolarHBondContact O-N 2.85Å; D342-Y346 WeakPolarHBondContact O-CD2 3.48Å; D342-Y346 PolarHBondContact O-N 3.26Å; D342-Y346 VanDerWaalsContact OD1-CD2 3.23Å; D342-Y346 WeakPolarHBondContact OD1-CD2 3.42Å; D342-Y346 WeakPolarHBondContact OD1-CE2 3.42Å; D342-K354 WeakPolarHBondContact OD1-CD 3.47Å; D342-K354 WeakPolarHBondContact OD1-CE 3.3Å; D342-K354 IonicContact OD1-NZ 2.76Å; D342-K354 PolarHBondContact OD1-NZ 3.17Å; D342-K354 WeakPolarHBondContact OD2-CD 3.36Å; D342-K354 IonicContact OD2-NZ 3.67Å; D342-K354 PolarHBondContact OD2-NZ 3.11Å
343	F	80.9	Confident	78	Confident	7 Å²	7	27.2 Å²	27.2	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-70.5	-35	-177.9	-52.7	-11.1	0	0	0	112.3	M339 I340 C341 A347 L358 L474 A475 G478	M339-F343 HydrophobicContact CB-CE1 3.9Å; M339-F343 HydrophobicContact CB-CE2 3.93Å; M339-F343 HydrophobicContact CB-CZ 3.44Å; M339-F343 VanDerWaalsContact CB-CZ 3.44Å; M339-F343 HydrophobicContact CG-CE1 4.13Å; M339-F343 HydrophobicContact CG-CZ 3.73Å; M339-F343 WeakPolarHBondContact O-CD1 3.48Å; M339-F343 WeakPolarHBondContact O-CD2 3.4Å; M339-F343 WeakPolarHBondContact O-CE1 3.47Å; M339-F343 WeakPolarHBondContact O-CG 3.5Å; M339-F343 PolarHBondContact O-N 3.35Å; M339-F343 HydrophobicContact SD-CZ 3.98Å; I340-F343 PolarHBondContact O-N 3.33Å; C341-F343 VanDerWaalsContact C-N 3.34Å; C341-F343 PolarHBondContact O-N 2.79Å; F343-A347 PolarHBondContact O-N 3.28Å; F343-L358 HydrophobicContact CD1-CD1 3.48Å; F343-L358 VanDerWaalsContact CD1-CD1 3.48Å; F343-L358 HydrophobicContact CD1-CD2 4.06Å; F343-L358 HydrophobicContact CD1-CG 4.41Å; F343-L358 HydrophobicContact CE1-CD1 3.35Å; F343-L358 HydrophobicContact CE1-CD2 3.36Å; F343-L358 HydrophobicContact CE1-CG 3.97Å; F343-L358 HydrophobicContact CG-CD1 4.33Å; F343-L358 HydrophobicContact CZ-CD1 4.01Å; F343-L358 HydrophobicContact CZ-CD2 4.2Å; F343-L474 WeakPolarHBondContact CE2-O 3.5Å; F343-A475 HydrophobicContact CZ-CB 4.14Å; F343-G478 VanDerWaalsContact CG-CA 3.49Å
344	C	78.9	Confident	78.4	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-76.7	-36.6	176.2	-70.2	0	0	0	0	112.6	G309 L313 G314 I340 C341 D342 Y346 A347	G309-C344 WeakPolarHBondContact O-CB 3.3Å; G309-C344 PolarHBondContact O-SG 3.07Å; L313-C344 HydrophobicContact CD1-CB 3.8Å; G314-C344 PolarHBondContact N-O 2.87Å; I340-C344 PolarHBondContact O-N 3.25Å; I340-C344 PolarHBondContact O-SG 3.38Å; C341-C344 PolarHBondContact O-N 3.06Å; D342-C344 PolarHBondContact O-N 2.96Å; C344-Y346 VanDerWaalsContact C-N 3.34Å; C344-Y346 PolarHBondContact O-N 3.44Å; C344-A347 VanDerWaalsContact O-CB 3.27Å; C344-A347 WeakPolarHBondContact O-CB 3.32Å; C344-A347 PolarHBondContact O-N 3.16Å
345	A	82	Confident	78.5	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-47.2	174.7	0	0	0	0	0	111.9	R315 Q316 V319 C341 D342	R315-A345 WeakPolarHBondContact O-CA 3.49Å; R315-A345 WeakPolarHBondContact O-CB 3.14Å; Q316-A345 WeakPolarHBondContact CG-O 3.22Å; V319-A345 HydrophobicContact CB-CB 3.86Å; V319-A345 HydrophobicContact CG1-CB 3.89Å; V319-A345 HydrophobicContact CG2-CB 3.79Å; C341-A345 WeakPolarHBondContact O-CB 3.38Å; C341-A345 PolarHBondContact O-N 3.07Å; D342-A345 PolarHBondContact O-N 2.85Å
346	Y	79.1	Confident	78.7	Confident	24 Å²	24	30.3 Å²	30.3	9%	0.094	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	13.7	-178.9	-67	-74.4	0	0	0	114.1	Q316 D342 C344 G348 S349 N351 K354	Q316-Y346 HydrophobicContact CB-CD1 4.46Å; Q316-Y346 HydrophobicContact CB-CE1 3.96Å; Q316-Y346 HydrophobicContact CG-CD1 3.88Å; Q316-Y346 HydrophobicContact CG-CE1 3.87Å; D342-Y346 WeakPolarHBondContact O-CD2 3.48Å; D342-Y346 PolarHBondContact O-N 3.26Å; D342-Y346 VanDerWaalsContact OD1-CD2 3.23Å; D342-Y346 WeakPolarHBondContact OD1-CD2 3.42Å; D342-Y346 WeakPolarHBondContact OD1-CE2 3.42Å; C344-Y346 VanDerWaalsContact C-N 3.34Å; C344-Y346 PolarHBondContact O-N 3.44Å; Y346-G348 PolarHBondContact O-N 3.06Å; Y346-S349 WeakPolarHBondContact CB-OG 3.4Å; Y346-S349 VanDerWaalsContact O-CB 3.25Å; Y346-S349 WeakPolarHBondContact O-CB 3.3Å; Y346-S349 PolarHBondContact O-N 3.22Å; Y346-S349 PolarHBondContact O-OG 2.54Å; Y346-N351 HydrophobicContact CD1-CB 4.23Å; Y346-K354 HydrophobicContact CD1-CG 4.3Å; Y346-K354 HydrophobicContact CD2-CD 3.7Å; Y346-K354 HydrophobicContact CD2-CG 3.77Å; Y346-K354 HydrophobicContact CE1-CG 4.42Å; Y346-K354 HydrophobicContact CE2-CD 3.64Å; Y346-K354 HydrophobicContact CE2-CG 3.92Å; Y346-K354 HydrophobicContact CG-CD 4.42Å; Y346-K354 HydrophobicContact CG-CG 3.98Å
347	A	76.9	Confident	78.9	Confident	17 Å²	17	34.1 Å²	34.1	14%	0.14	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	126.8	177.2	0	0	0	0	0	111.8	L313 F343 C344 S349 I481 L615	L313-A347 HydrophobicContact CD1-CB 3.73Å; F343-A347 PolarHBondContact O-N 3.28Å; C344-A347 VanDerWaalsContact O-CB 3.27Å; C344-A347 WeakPolarHBondContact O-CB 3.32Å; C344-A347 PolarHBondContact O-N 3.16Å; A347-S349 PolarHBondContact O-N 3.1Å; A347-S349 VanDerWaalsContact O-N 3.12Å; A347-I481 HydrophobicContact CB-CG2 3.54Å; A347-L615 HydrophobicContact CB-CD2 4.23Å
348	G	70.3	Confident	78.8	Confident	9 Å²	9	34.2 Å²	34.2	9%	0.093	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	11.2	-178.1	0	0	0	0	0	115.9	Y346 I481	Y346-G348 PolarHBondContact O-N 3.06Å; G348-I481 PolarHBondContact N-O 3.34Å
349	S	74.8	Confident	78.3	Confident	25 Å²	25	32.9 Å²	32.9	18%	0.175	18%	0.181	C	C	.	.			trans	-81	-23	178.8	70	0	0	0	0	114	Y346 A347 N351	Y346-S349 WeakPolarHBondContact CB-OG 3.4Å; Y346-S349 VanDerWaalsContact O-CB 3.25Å; Y346-S349 WeakPolarHBondContact O-CB 3.3Å; Y346-S349 PolarHBondContact O-N 3.22Å; Y346-S349 PolarHBondContact O-OG 2.54Å; A347-S349 PolarHBondContact O-N 3.1Å; A347-S349 VanDerWaalsContact O-N 3.12Å; S349-N351 PolarHBondContact O-N 3.16Å; S349-N351 PolarHBondContact OG-N 3.2Å
350	G	72.1	Confident	78.2	Confident	17 Å²	17	37.6 Å²	37.6	18%	0.175	20%	0.202	C	C	.	.			trans	68	8.5	-172.5	0	0	0	0	0	115	V352 I482	G350-V352 PolarHBondContact O-N 3.02Å; G350-I482 PolarHBondContact N-O 2.98Å
351	N	79.7	Confident	77.9	Confident	48 Å²	48	40.3 Å²	40.3	26%	0.257	22%	0.216	S	C	.	.			trans	-64.4	101	-170.7	-173.3	-8.1	0	0	0	113	Y346 S349 L353 K354 I355	Y346-N351 HydrophobicContact CD1-CB 4.23Å; S349-N351 PolarHBondContact O-N 3.16Å; S349-N351 PolarHBondContact OG-N 3.2Å; N351-L353 VanDerWaalsContact C-N 3.27Å; N351-L353 PolarHBondContact O-N 2.67Å; N351-L353 WeakPolarHBondContact OD1-CB 3.44Å; N351-L353 PolarHBondContact OD1-N 2.81Å; N351-L353 VanDerWaalsContact OD1-N 3.11Å; N351-K354 HydrophobicContact CB-CB 4.44Å; N351-K354 PolarHBondContact O-N 2.98Å; N351-I355 PolarHBondContact O-N 3.3Å; N351-I355 VanDerWaalsContact O-N 3.17Å
352	V	80.2	Confident	77.1	Confident	81 Å²	81	41 Å²	41	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-31.4	-177.6	-177.6	0	0	0	0	112.7	G350 I355 Q356	G350-V352 PolarHBondContact O-N 3.02Å; V352-I355 PolarHBondContact O-N 3.3Å; V352-Q356 HydrophobicContact CG1-CG 4.3Å; V352-Q356 WeakPolarHBondContact O-CB 3.44Å; V352-Q356 VanDerWaalsContact O-CG 3.31Å; V352-Q356 WeakPolarHBondContact O-CG 3.36Å; V352-Q356 PolarHBondContact O-N 3.23Å
353	L	82.3	Confident	76.3	Confident	115 Å²	115	43.9 Å²	43.9	60%	0.602	24%	0.241	S	C	*	.	H	α-helix	trans	-65.5	-42.4	178.6	-63.4	174.2	0	0	0	111.1	N351 Q356 N357	N351-L353 VanDerWaalsContact C-N 3.27Å; N351-L353 PolarHBondContact O-N 2.67Å; N351-L353 WeakPolarHBondContact OD1-CB 3.44Å; N351-L353 PolarHBondContact OD1-N 2.81Å; N351-L353 VanDerWaalsContact OD1-N 3.11Å; L353-Q356 PolarHBondContact O-N 3.41Å; L353-N357 PolarHBondContact O-N 3.2Å; L353-N357 PolarHBondContact O-OD1 3.45Å
354	K	77.2	Confident	75.5	Confident	35 Å²	35	48.5 Å²	48.5	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-46.6	174.9	-73.2	-82.5	170.6	162.9	0	110.3	D342 Y346 N351 Q356 N357 L358 I482	D342-K354 WeakPolarHBondContact OD1-CD 3.47Å; D342-K354 WeakPolarHBondContact OD1-CE 3.3Å; D342-K354 IonicContact OD1-NZ 2.76Å; D342-K354 PolarHBondContact OD1-NZ 3.17Å; D342-K354 WeakPolarHBondContact OD2-CD 3.36Å; D342-K354 IonicContact OD2-NZ 3.67Å; D342-K354 PolarHBondContact OD2-NZ 3.11Å; Y346-K354 HydrophobicContact CD1-CG 4.3Å; Y346-K354 HydrophobicContact CD2-CD 3.7Å; Y346-K354 HydrophobicContact CD2-CG 3.77Å; Y346-K354 HydrophobicContact CE1-CG 4.42Å; Y346-K354 HydrophobicContact CE2-CD 3.64Å; Y346-K354 HydrophobicContact CE2-CG 3.92Å; Y346-K354 HydrophobicContact CG-CD 4.42Å; Y346-K354 HydrophobicContact CG-CG 3.98Å; N351-K354 HydrophobicContact CB-CB 4.44Å; N351-K354 PolarHBondContact O-N 2.98Å; K354-Q356 VanDerWaalsContact C-N 3.27Å; K354-Q356 PolarHBondContact O-N 2.96Å; K354-N357 WeakPolarHBondContact O-CB 3.45Å; K354-N357 PolarHBondContact O-N 2.76Å; K354-N357 VanDerWaalsContact O-N 3.09Å; K354-L358 VanDerWaalsContact O-CG 3.32Å; K354-L358 WeakPolarHBondContact O-CG 3.47Å; K354-L358 PolarHBondContact O-N 3.15Å; K354-I482 HydrophobicContact CB-CD1 4.33Å
355	I	77.3	Confident	74.1	Confident	26 Å²	26	56.2 Å²	56.2	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-55.6	-41.2	174.1	-62.4	171.7	0	0	0	111.6	N351 V352 L358 L359 V479 I482	N351-I355 PolarHBondContact O-N 3.3Å; N351-I355 VanDerWaalsContact O-N 3.17Å; V352-I355 PolarHBondContact O-N 3.3Å; I355-L358 PolarHBondContact O-N 3.35Å; I355-L359 HydrophobicContact CG2-CD1 3.9Å; I355-L359 HydrophobicContact CG2-CG 4.34Å; I355-L359 WeakPolarHBondContact O-CB 3.21Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 2.85Å; I355-V479 HydrophobicContact CG2-CG1 4.33Å; I355-I482 HydrophobicContact CD1-CB 4.38Å; I355-I482 HydrophobicContact CD1-CG2 3.87Å; I355-I482 HydrophobicContact CG1-CB 4.15Å; I355-I482 HydrophobicContact CG1-CD1 4.4Å; I355-I482 HydrophobicContact CG1-CG2 3.8Å
356	Q	79.4	Confident	72.1	Confident	110 Å²	110	62 Å²	62	51%	0.514	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.5	-76.8	175	-1.6	0	0	112.4	V352 L353 K354 L358 L359 H360	V352-Q356 HydrophobicContact CG1-CG 4.3Å; V352-Q356 WeakPolarHBondContact O-CB 3.44Å; V352-Q356 VanDerWaalsContact O-CG 3.31Å; V352-Q356 WeakPolarHBondContact O-CG 3.36Å; V352-Q356 PolarHBondContact O-N 3.23Å; L353-Q356 PolarHBondContact O-N 3.41Å; K354-Q356 VanDerWaalsContact C-N 3.27Å; K354-Q356 PolarHBondContact O-N 2.96Å; Q356-L358 VanDerWaalsContact C-N 3.34Å; Q356-L358 PolarHBondContact O-N 3.18Å; Q356-L359 PolarHBondContact O-N 3.37Å; Q356-H360 PolarHBondContact O-N 3.3Å
357	N	78.8	Confident	69.7	Low	93 Å²	93	68.7 Å²	68.7	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-40.5	174.1	-65.8	-3.7	0	0	0	111.7	L353 K354 H360 I361	L353-N357 PolarHBondContact O-N 3.2Å; L353-N357 PolarHBondContact O-OD1 3.45Å; K354-N357 WeakPolarHBondContact O-CB 3.45Å; K354-N357 PolarHBondContact O-N 2.76Å; K354-N357 VanDerWaalsContact O-N 3.09Å; N357-H360 WeakPolarHBondContact O-CB 3.48Å; N357-H360 PolarHBondContact O-N 2.92Å; N357-I361 WeakPolarHBondContact O-CG1 3.48Å; N357-I361 PolarHBondContact O-N 3.13Å; N357-I361 VanDerWaalsContact O-N 3.08Å
358	L	74.9	Confident	67.5	Low	3 Å²	3	74.7 Å²	74.7	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-68.2	-37.5	177	-53.4	-161.9	0	0	0	111.8	F343 K354 I355 Q356 H360 I361 L362 V479 I482	F343-L358 HydrophobicContact CD1-CD1 3.48Å; F343-L358 VanDerWaalsContact CD1-CD1 3.48Å; F343-L358 HydrophobicContact CD1-CD2 4.06Å; F343-L358 HydrophobicContact CD1-CG 4.41Å; F343-L358 HydrophobicContact CE1-CD1 3.35Å; F343-L358 HydrophobicContact CE1-CD2 3.36Å; F343-L358 HydrophobicContact CE1-CG 3.97Å; F343-L358 HydrophobicContact CG-CD1 4.33Å; F343-L358 HydrophobicContact CZ-CD1 4.01Å; F343-L358 HydrophobicContact CZ-CD2 4.2Å; K354-L358 VanDerWaalsContact O-CG 3.32Å; K354-L358 WeakPolarHBondContact O-CG 3.47Å; K354-L358 PolarHBondContact O-N 3.15Å; I355-L358 PolarHBondContact O-N 3.35Å; Q356-L358 VanDerWaalsContact C-N 3.34Å; Q356-L358 PolarHBondContact O-N 3.18Å; L358-H360 VanDerWaalsContact C-N 3.29Å; L358-I361 PolarHBondContact O-N 3.08Å; L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 VanDerWaalsContact O-CG 3.32Å; L358-L362 WeakPolarHBondContact O-CG 3.19Å; L358-L362 PolarHBondContact O-N 2.98Å; L358-V479 HydrophobicContact CB-CG2 3.92Å; L358-V479 HydrophobicContact CD1-CG2 4.13Å; L358-I482 HydrophobicContact CD1-CD1 3.99Å
359	L	72.6	Confident	65.5	Low	42 Å²	42	82.7 Å²	82.7	22%	0.22	41%	0.408	C	S	.	.	H	α-helix	trans	-67.6	-29.3	172.6	-71.8	171.9	0	0	0	112.1	I355 Q356 L362 S363 M496	I355-L359 HydrophobicContact CG2-CD1 3.9Å; I355-L359 HydrophobicContact CG2-CG 4.34Å; I355-L359 WeakPolarHBondContact O-CB 3.21Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 2.85Å; Q356-L359 PolarHBondContact O-N 3.37Å; L359-L362 HydrophobicContact CD2-CD1 4.44Å; L359-L362 PolarHBondContact O-N 3.23Å; L359-S363 WeakPolarHBondContact O-CB 3.43Å; L359-S363 PolarHBondContact O-N 3.49Å; L359-S363 PolarHBondContact O-OG 3.12Å; L359-M496 HydrophobicContact CD1-CG 4.43Å; L359-M496 HydrophobicContact CD1-SD 4.26Å
360	H	77.4	Confident	63.2	Low	113 Å²	113	88.6 Å²	88.6	52%	0.523	43%	0.433	S	S	.	.	H	α-helix	trans	-64	-52.5	171.5	-160	-83.5	0	0	0	110.3	Q356 N357 L358 L362 S363 E364	Q356-H360 PolarHBondContact O-N 3.3Å; N357-H360 WeakPolarHBondContact O-CB 3.48Å; N357-H360 PolarHBondContact O-N 2.92Å; L358-H360 VanDerWaalsContact C-N 3.29Å; H360-L362 VanDerWaalsContact C-N 3.26Å; H360-L362 PolarHBondContact O-N 2.88Å; H360-S363 WeakPolarHBondContact CA-OG 3.45Å; H360-S363 CarbonylContact O-C 3.5Å; H360-S363 WeakPolarHBondContact O-CA 3.41Å; H360-S363 PolarHBondContact O-N 2.93Å; H360-S363 PolarHBondContact O-OG 3.38Å; H360-E364 IonicContact CE1-OE1 3.12Å; H360-E364 PolarHBondContact CE1-OE1 3.06Å; H360-E364 VanDerWaalsContact CE1-OE1 3.31Å; H360-E364 IonicContact CG-OE1 3.91Å; H360-E364 IonicContact ND1-OE1 2.73Å; H360-E364 PolarHBondContact ND1-OE1 2.82Å; H360-E364 PolarHBondContact O-N 3.25Å
361	I	75.1	Confident	61	Low	64 Å²	64	94.2 Å²	94.2	33%	0.328	46%	0.459	S	S	.	.	H	α-helix	trans	-57.9	-36.5	175.7	-63.3	164.3	0	0	0	111.7	N357 L358 S363	N357-I361 WeakPolarHBondContact O-CG1 3.48Å; N357-I361 PolarHBondContact O-N 3.13Å; N357-I361 VanDerWaalsContact O-N 3.08Å; L358-I361 PolarHBondContact O-N 3.08Å; I361-S363 VanDerWaalsContact C-N 3.3Å; I361-S363 PolarHBondContact O-N 2.91Å
362	L	66.8	Low	58.6	Low	16 Å²	16	97.3 Å²	97.3	8%	0.084	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-10.3	173.7	-73	168.6	0	0	0	114.4	L358 L359 H360 Q472 A475 V476 V479 L500 I508	L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 VanDerWaalsContact O-CG 3.32Å; L358-L362 WeakPolarHBondContact O-CG 3.19Å; L358-L362 PolarHBondContact O-N 2.98Å; L359-L362 HydrophobicContact CD2-CD1 4.44Å; L359-L362 PolarHBondContact O-N 3.23Å; H360-L362 VanDerWaalsContact C-N 3.26Å; H360-L362 PolarHBondContact O-N 2.88Å; L362-Q472 HydrophobicContact CD2-CB 4.3Å; L362-A475 HydrophobicContact CD1-CB 4.17Å; L362-A475 HydrophobicContact CD2-CB 3.92Å; L362-A475 HydrophobicContact CG-CB 3.92Å; L362-V476 HydrophobicContact CD1-CG2 4.1Å; L362-V476 HydrophobicContact CD2-CG2 3.8Å; L362-V479 HydrophobicContact CD1-CG2 4.39Å; L362-L500 HydrophobicContact CB-CD2 4.36Å; L362-L500 HydrophobicContact CD1-CD1 4.44Å; L362-L500 HydrophobicContact CD1-CD2 4.49Å; L362-I508 HydrophobicContact CD2-CD1 4.16Å; L362-I508 HydrophobicContact CD2-CG1 4.3Å
363	S	66.4	Low	56.3	Low	73 Å²	73	100.7 Å²	100.7	51%	0.51	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-17.6	179.4	76.3	0	0	0	0	113.7	L359 H360 I361 K365	L359-S363 WeakPolarHBondContact O-CB 3.43Å; L359-S363 PolarHBondContact O-N 3.49Å; L359-S363 PolarHBondContact O-OG 3.12Å; H360-S363 WeakPolarHBondContact CA-OG 3.45Å; H360-S363 CarbonylContact O-C 3.5Å; H360-S363 WeakPolarHBondContact O-CA 3.41Å; H360-S363 PolarHBondContact O-N 2.93Å; H360-S363 PolarHBondContact O-OG 3.38Å; I361-S363 VanDerWaalsContact C-N 3.3Å; I361-S363 PolarHBondContact O-N 2.91Å; S363-K365 PolarHBondContact O-N 3.23Å
364	E	64	Low	54	Low	103 Å²	103	103.9 Å²	103.9	48%	0.481	50%	0.504	S	S	.	.			trans	-62.2	79.3	161.2	-76.1	172.3	-134.9	0	0	108.7	H360	H360-E364 IonicContact CE1-OE1 3.12Å; H360-E364 PolarHBondContact CE1-OE1 3.06Å; H360-E364 VanDerWaalsContact CE1-OE1 3.31Å; H360-E364 IonicContact CG-OE1 3.91Å; H360-E364 IonicContact ND1-OE1 2.73Å; H360-E364 PolarHBondContact ND1-OE1 2.82Å; H360-E364 PolarHBondContact O-N 3.25Å
365	K	49.7	Very low	51.7	Low	166 Å²	166	106.7 Å²	106.7	72%	0.722	53%	0.534	S	S	*	.			trans	-54.4	147.1	165.7	-66.4	178.1	-179.2	178.3	0	108.5	S363 E367	S363-K365 PolarHBondContact O-N 3.23Å; K365-E367 PolarHBondContact O-N 3.27Å
366	Y	39.2	Very low	49.5	Very low	122 Å²	122	110.8 Å²	110.8	48%	0.478	57%	0.565	S	S	.	*			trans	-49.4	102.1	167.3	-159.4	-89.8	0	0	0	109.8	E368 F468	Y366-E368 HydrophobicContact CD1-CB 4.48Å; Y366-E368 HydrophobicContact CD1-CG 3.68Å; Y366-E368 HydrophobicContact CE1-CG 3.91Å; Y366-E368 PolarHBondContact O-N 2.87Å; Y366-F468 AromaticContact CD2-CD1 3.93Å; Y366-F468 HydrophobicContact CD2-CD1 3.93Å; Y366-F468 HydrophobicContact CD2-CE1 4.13Å
367	E	28.5	Very low	47.1	Very low	165 Å²	165	111.2 Å²	111.2	77%	0.771	58%	0.58	S	S	*	*			trans	-68.4	93.9	160.7	-80	-162.2	162.3	0	0	106.1	K365 K369	K365-E367 PolarHBondContact O-N 3.27Å; E367-K369 VanDerWaalsContact C-N 3.31Å; E367-K369 PolarHBondContact O-N 3.05Å
368	E	30.5	Very low	44.6	Very low	143 Å²	143	114.2 Å²	114.2	67%	0.668	60%	0.596	S	S	*	*			trans	-53.7	105.2	155.5	-70.3	-168.4	160.5	0	0	106.5	Y366 E370	Y366-E368 HydrophobicContact CD1-CB 4.48Å; Y366-E368 HydrophobicContact CD1-CG 3.68Å; Y366-E368 HydrophobicContact CE1-CG 3.91Å; Y366-E368 PolarHBondContact O-N 2.87Å; E368-E370 PolarHBondContact O-N 3.34Å
369	K	28.2	Very low	42.4	Very low	176 Å²	176	120.3 Å²	120.3	77%	0.765	63%	0.633	S	S	*	*			trans	-70.3	77.9	170.4	-77.1	-172.5	174.8	179.7	0	108.4	E367 N371	E367-K369 VanDerWaalsContact C-N 3.31Å; E367-K369 PolarHBondContact O-N 3.05Å; K369-N371 PolarHBondContact O-N 2.99Å
370	E	26.7	Very low	40.4	Very low	150 Å²	150	128.6 Å²	128.6	70%	0.701	67%	0.667	S	S	*	*			trans	-59.5	84	171.3	-77.1	-158.9	115.6	0	0	110.2	E368 T372	E368-E370 PolarHBondContact O-N 3.34Å; E370-T372 WeakPolarHBondContact O-CB 3.26Å; E370-T372 WeakPolarHBondContact O-CG2 3.34Å; E370-T372 PolarHBondContact O-N 2.98Å; E370-T372 PolarHBondContact O-OG1 3.45Å
371	N	27.1	Very low	38.1	Very low	134 Å²	134	128.8 Å²	128.8	72%	0.717	68%	0.677	S	S	*	*	S	Bend	trans	36.4	39.1	152.2	-81.2	-80.4	0	0	0	117.7	K369	K369-N371 PolarHBondContact O-N 2.99Å
372	T	28.9	Very low	35.8	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-91.1	-11.3	-168.3	11.9	0	0	0	0	113.7	E370 K374	E370-T372 WeakPolarHBondContact O-CB 3.26Å; E370-T372 WeakPolarHBondContact O-CG2 3.34Å; E370-T372 PolarHBondContact O-N 2.98Å; E370-T372 PolarHBondContact O-OG1 3.45Å; T372-K374 VanDerWaalsContact C-N 3.27Å; T372-K374 PolarHBondContact O-N 3.35Å
373	D	32.2	Very low	33.9	Very low	153 Å²	153	140.6 Å²	140.6	82%	0.818	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-80.6	12.4	-177.9	-69.9	-43.6	0	0	0	115.5
374	K	33.2	Very low	32.1	Very low	182 Å²	182	146.2 Å²	146.2	79%	0.791	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-103.2	12.9	-179.3	-76	175.9	179.5	160.7	0	115	T372	T372-K374 VanDerWaalsContact C-N 3.27Å; T372-K374 PolarHBondContact O-N 3.35Å
375	A	29.5	Very low	30.3	Very low	94 Å²	94	149.8 Å²	149.8	78%	0.777	76%	0.756	S	S	*	*	S	Bend	trans	-107.4	-3.7	-169.5	0	0	0	0	0	116.8
376	S	29.8	Very low	29.1	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	75%	0.747	S	S	*	*			trans	-121.5	38	-157.5	54.1	0	0	0	0	116.9
377	S	30	Very low	28.5	Very low	118 Å²	118	149.4 Å²	149.4	83%	0.825	76%	0.759	S	S	*	*			trans	-134.7	26.3	-175.6	60.5	0	0	0	0	116.9
378	N	26.6	Very low	28.3	Very low	157 Å²	157	147 Å²	147	84%	0.84	76%	0.76	S	S	*	*			trans	-119.3	43.5	-167.4	-158	9.8	0	0	0	117.1
379	T	27.2	Very low	28.1	Very low	131 Å²	131	144.4 Å²	144.4	80%	0.804	76%	0.758	S	S	*	*			trans	-146.6	67.7	172.7	-25.5	0	0	0	0	115.6
380	K	32.2	Very low	27.9	Very low	215 Å²	215	145 Å²	145	94%	0.935	76%	0.764	S	S	*	*			trans	-126.8	88	155.7	-85.1	-169.6	176.7	175.5	0	112.2
381	T	28.2	Very low	28.1	Very low	117 Å²	117	142 Å²	142	72%	0.718	77%	0.765	S	S	*	*			trans	-43.8	142.9	170.8	19.4	0	0	0	0	116.2
382	K	26.8	Very low	28.3	Very low	176 Å²	176	147.2 Å²	147.2	77%	0.765	77%	0.774	S	S	*	*			trans	70.2	145.6	154.7	-64.1	169.4	174.3	-171.3	0	115.2
383	E	27.6	Very low	28.5	Very low	152 Å²	152	153 Å²	153	71%	0.71	78%	0.783	S	S	*	*			cis	-156.1	170.6	13.8	-135.4	156.3	-122.2	0	0	111
384	K	28.3	Very low	28.2	Very low	191 Å²	191	149.8 Å²	149.8	83%	0.83	79%	0.787	S	S	*	*			trans	70.3	112.5	-178.8	-58.8	171.4	-175.5	171.7	0	113.1
385	K	27.2	Very low	28	Very low	178 Å²	178	145.1 Å²	145.1	77%	0.774	79%	0.79	S	S	*	*			cis	58	123.1	30.8	-107.3	-152.1	-173.5	-152.6	0	112.1
386	E	24	Very low	28	Very low	114 Å²	114	144.5 Å²	144.5	53%	0.533	79%	0.792	S	S	.	*			cis	-170.3	158.8	-0.6	-145.6	179.8	-99.8	0	0	109.1
387	K	25.6	Very low	28.1	Very low	166 Å²	166	151.5 Å²	151.5	72%	0.722	80%	0.802	S	S	*	*			trans	65.7	151.9	164.2	-57.9	-177.1	170.8	85.3	0	119.6
388	S	25.7	Very low	28.2	Very low	114 Å²	114	149.7 Å²	149.7	80%	0.797	80%	0.802	S	S	*	*			trans	63.4	152.2	154.6	56.8	0	0	0	0	119.1
389	S	25.9	Very low	28.4	Very low	89 Å²	89	153.2 Å²	153.2	62%	0.622	80%	0.803	S	S	*	*			cis	-171.1	130.9	-24	48.9	0	0	0	0	110
390	E	24.1	Very low	28.6	Very low	190 Å²	190	153.2 Å²	153.2	89%	0.888	80%	0.798	S	S	*	*			trans	60	-172.6	154.9	-62.9	173	85.7	0	0	118.6
391	A	29.8	Very low	28.7	Very low	87 Å²	87	154 Å²	154	72%	0.719	80%	0.795	S	S	*	*			trans	68.3	53.8	158.2	0	0	0	0	0	120.2
392	R	31.3	Very low	28.7	Very low	242 Å²	242	159.9 Å²	159.9	91%	0.913	81%	0.805	S	S	*	*	S	Bend		-174.1	132.6	126.4	-99.6	156.3	-165	-140	7.7	112.9
393	R	34.3	Very low	28.7	Very low	235 Å²	235	155.4 Å²	155.4	89%	0.887	81%	0.808	S	S	*	*			cis	-161.8	97	-29.8	-135.5	179.2	-170.9	-178.6	2.8	109.3
394	G	25.5	Very low	28.8	Very low	86 Å²	86	151.7 Å²	151.7	89%	0.887	81%	0.811	S	S	*	*			trans	-76.2	150.6	168	0	0	0	0	0	111.5
395	G	28.9	Very low	28.8	Very low	83 Å²	83	147.8 Å²	147.8	86%	0.856	81%	0.808	S	S	*	*			trans	172	101.8	177	0	0	0	0	0	113.4
396	G	28.1	Very low	29.1	Very low	81 Å²	81	145.2 Å²	145.2	84%	0.835	81%	0.807	S	S	*	*			trans	-80.9	158.6	-167.5	0	0	0	0	0	117
397	R	32.5	Very low	29.4	Very low	259 Å²	259	150.7 Å²	150.7	98%	0.977	82%	0.823	S	S	*	*			trans	-154	138.4	157.3	-92.9	175.4	172.8	-178.7	-3.4	106.7
398	G	32.3	Very low	30.1	Very low	80 Å²	80	148.4 Å²	148.4	83%	0.825	83%	0.825	S	S	*	*			cis	-162.4	158.7	-6.8	0	0	0	0	0	110.9
399	R	31.1	Very low	30.5	Very low	231 Å²	231	146.4 Å²	146.4	87%	0.872	82%	0.815	S	S	*	*			trans	-105.4	155.5	-172.8	-176.2	176.1	174	173.3	-0.8	111.3
400	N	32.2	Very low	31.1	Very low	131 Å²	131	148.2 Å²	148.2	70%	0.701	82%	0.822	S	S	*	*			trans	81.1	151.8	-178.7	-44.6	-48.8	0	0	0	114.6
401	R	33.6	Very low	31.6	Very low	231 Å²	231	145.3 Å²	145.3	87%	0.872	82%	0.818	S	S	*	*			cis	-120.7	160.6	0.7	-70.9	83	173.9	-118.5	-1.1	109.2
402	R	28.4	Very low	31.8	Very low	242 Å²	242	147.7 Å²	147.7	91%	0.913	82%	0.819	S	S	*	*			cis	85.7	91.5	20.2	-161.1	-170.2	-166.7	-163.1	5.2	116.8
403	G	26.2	Very low	32	Very low	82 Å²	82	142.3 Å²	142.3	85%	0.845	81%	0.808	S	S	*	*			trans	113.9	150.6	150.4	0	0	0	0	0	118.2
404	G	30.1	Very low	32.2	Very low	74 Å²	74	139.1 Å²	139.1	76%	0.763	80%	0.803	S	S	*	*			trans	102	127.3	-174.6	0	0	0	0	0	111.3
405	S	28.7	Very low	32.6	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	80%	0.798	S	S	*	*			cis	64.9	131.5	35.4	-138.3	0	0	0	0	112.3
406	T	33.6	Very low	32.9	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	80%	0.801	S	S	*	*			cis	-155.5	162.1	24.8	-38.1	0	0	0	0	113.7
407	R	29.6	Very low	33.2	Very low	229 Å²	229	141.9 Å²	141.9	86%	0.864	79%	0.79	S	S	*	*			trans	-56	-178.9	157.4	-108.3	179.2	177.4	-175	-0.6	113.2
408	P	39.2	Very low	33.5	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	78%	0.783	S	S	*	*			cis	-127.3	-145.1	-6.5	27.9	-0.7	0	0	0	111.1
409	A	35.7	Very low	33.8	Very low	71 Å²	71	139.8 Å²	139.8	59%	0.587	77%	0.774	S	S	*	*			cis	-173.1	158.7	27.1	0	0	0	0	0	117
410	T	37.6	Very low	34	Very low	127 Å²	127	134.6 Å²	134.6	78%	0.779	77%	0.768	S	S	*	*			trans	60.5	140.6	148.3	51.6	0	0	0	0	120.6
411	T	35.7	Very low	34.3	Very low	129 Å²	129	135 Å²	135	79%	0.791	77%	0.771	S	S	*	*			cis	-157.5	167	-1.6	2.8	0	0	0	0	112.1
412	N	33.2	Very low	34.5	Very low	138 Å²	138	128.4 Å²	128.4	74%	0.738	77%	0.765	S	S	*	*			trans	-68.6	171.6	172.5	-47.8	-13.4	0	0	0	112.3
413	D	35.7	Very low	35	Very low	128 Å²	128	122.7 Å²	122.7	68%	0.684	76%	0.759	S	S	*	*				-166.7	152.8	65.2	-111	-0.2	0	0	0	116.2
414	H	39.4	Very low	35.4	Very low	168 Å²	168	125.3 Å²	125.3	78%	0.778	76%	0.759	S	S	*	*			trans	24.2	147.8	133.2	-59	63.4	0	0	0	120.7
415	G	34.1	Very low	35.6	Very low	76 Å²	76	125.6 Å²	125.6	78%	0.784	75%	0.754	S	S	*	*			cis	150.3	176.6	9.2	0	0	0	0	0	109.4
416	N	33.1	Very low	35.9	Very low	172 Å²	172	128.5 Å²	128.5	92%	0.92	76%	0.758	S	S	*	*			cis	-171.1	156.5	-14.2	-178.3	27.5	0	0	0	109.8
417	G	36	Very low	35.8	Very low	60 Å²	60	128.2 Å²	128.2	62%	0.619	75%	0.752	S	S	*	*			trans	95.9	156.1	169.5	0	0	0	0	0	117.2
418	H	39	Very low	35.9	Very low	175 Å²	175	123.6 Å²	123.6	81%	0.81	75%	0.749	S	S	*	*			cis	-156.7	135.4	-1.7	-132.3	-2.6	0	0	0	114.1
419	N	37	Very low	35.3	Very low	120 Å²	120	123.9 Å²	123.9	64%	0.642	75%	0.749	S	S	*	*			trans	22.1	130.5	143.5	-53.8	22.9	0	0	0	122.8
420	T	37	Very low	34.9	Very low	123 Å²	123	126 Å²	126	76%	0.755	76%	0.759	S	S	*	*				-179.5	116.8	105.6	38.9	0	0	0	0	108.1
421	D	36.7	Very low	34.5	Very low	140 Å²	140	128.2 Å²	128.2	75%	0.749	76%	0.761	S	S	*	*				69.1	127.8	82.5	-60.6	-44	0	0	0	113.8
422	A	37.9	Very low	34.1	Very low	92 Å²	92	126.3 Å²	126.3	76%	0.76	76%	0.758	S	S	*	*			cis	-157.1	168.8	-2.6	0	0	0	0	0	112.1
423	P	39	Very low	33.7	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	76%	0.763	S	S	*	*			trans	-123.6	165.5	-165	42.3	-30.6	0	0	0	117.8
424	T	34.9	Very low	33.3	Very low	138 Å²	138	129.5 Å²	129.5	85%	0.847	77%	0.769	S	S	*	*			trans	-152.1	110.3	159.7	-17.4	0	0	0	0	107.1
425	A	34.7	Very low	32.7	Very low	79 Å²	79	129 Å²	129	65%	0.653	77%	0.772	S	S	*	*				49.3	124.6	87.8	0	0	0	0	0	113
426	M	35	Very low	32.2	Very low	171 Å²	171	130.8 Å²	130.8	84%	0.842	77%	0.768	S	S	*	*			cis	-161.7	160.6	16	-109.7	156.2	171.6	0	0	109
427	D	31.5	Very low	32.1	Very low	118 Å²	118	129.2 Å²	129.2	63%	0.631	76%	0.758	S	S	*	*			cis	-157	-177.3	-0.1	-146.6	-28.9	0	0	0	111.3
428	T	31.6	Very low	31.5	Very low	132 Å²	132	132.1 Å²	132.1	81%	0.81	76%	0.764	S	S	*	*			trans	53.4	79.8	164.2	52.5	0	0	0	0	117.6
429	T	26	Very low	30.9	Very low	124 Å²	124	128.5 Å²	128.5	76%	0.761	76%	0.759	S	S	*	*			trans	-122.5	125	166	-52.4	0	0	0	0	111
430	S	29	Very low	30.4	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	77%	0.769	S	S	*	*			trans	-177.2	124.8	163	44.6	0	0	0	0	108.5
431	Q	27.4	Very low	29.9	Very low	175 Å²	175	135.8 Å²	135.8	82%	0.818	78%	0.777	S	S	*	*			cis	63.8	151	9.2	-74.4	-163.3	2.4	0	0	117.4
432	A	27.7	Very low	29.4	Very low	89 Å²	89	136 Å²	136	74%	0.736	78%	0.784	S	S	*	*			trans	69.6	131.9	-160.8	0	0	0	0	0	113
433	N	24.7	Very low	28.9	Very low	156 Å²	156	135.4 Å²	135.4	83%	0.834	79%	0.787	S	S	*	*			cis	70.3	92.5	36.7	-61.2	11.4	0	0	0	113.8
434	E	27.8	Very low	28.3	Very low	177 Å²	177	136.3 Å²	136.3	83%	0.827	79%	0.789	S	S	*	*			trans	-130.1	77.1	156	-73.3	-159.4	140.8	0	0	110.3
435	D	26	Very low	28.1	Very low	157 Å²	157	135.3 Å²	135.3	84%	0.84	79%	0.785	S	S	*	*			trans	-78.8	135.1	152.3	-88.2	-50.1	0	0	0	108.8
436	T	23.8	Very low	27.7	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.693	79%	0.792	S	S	*	*			trans	65.5	100.4	162.2	-45.5	0	0	0	0	118.1	T438	T436-T438 HydrophobicContact CG2-CG2 3.89Å
437	I	31.3	Very low	27.6	Very low	140 Å²	140	136.4 Å²	136.4	72%	0.718	78%	0.784	S	S	*	*			trans	-116.6	123.1	150.7	-63.8	-178.3	0	0	0	109.1
438	T	22.9	Very low	27.7	Very low	121 Å²	121	137.9 Å²	137.9	74%	0.742	79%	0.79	S	S	*	*			trans	-125.3	104.9	-175.5	45.7	0	0	0	0	113.4	T436	T436-T438 HydrophobicContact CG2-CG2 3.89Å
439	S	27.9	Very low	27.8	Very low	99 Å²	99	136 Å²	136	69%	0.692	78%	0.78	S	S	*	*			trans	-164.6	108.8	160.7	34.6	0	0	0	0	109.5
440	K	25.1	Very low	28	Very low	197 Å²	197	138.1 Å²	138.1	86%	0.857	78%	0.784	S	S	*	*				60.4	92.3	85	-74	-173.5	175.5	177.4	0	114.6
441	E	27.7	Very low	28	Very low	199 Å²	199	140.8 Å²	140.8	93%	0.93	79%	0.789	S	S	*	*			trans	-129.7	157.7	132.6	-72.7	-153.4	139.8	0	0	109.3
442	T	26	Very low	27.9	Very low	144 Å²	144	138.8 Å²	138.8	88%	0.883	79%	0.789	S	S	*	*			trans	-129.2	131.3	-163.9	51.7	0	0	0	0	112.6
443	G	26.3	Very low	27.9	Very low	80 Å²	80	139.5 Å²	139.5	83%	0.825	79%	0.789	S	S	*	*			trans	-164	59.2	-176.3	0	0	0	0	0	116.2
444	V	27.6	Very low	28	Very low	139 Å²	139	139.9 Å²	139.9	84%	0.842	79%	0.791	S	S	*	*			trans	-85	138.9	170.6	-176.1	0	0	0	0	107.1
445	P	30	Very low	28	Very low	117 Å²	117	135.9 Å²	135.9	76%	0.76	79%	0.788	S	S	*	*				-149.1	168.8	51.8	44.3	-24.6	0	0	0	120.1
446	Q	26.9	Very low	28	Very low	169 Å²	169	137.9 Å²	137.9	79%	0.79	79%	0.792	S	S	*	*			trans	-63	174.9	155.2	-75	-176.8	-12.2	0	0	111.6
447	P	33	Very low	28.2	Very low	105 Å²	105	141.1 Å²	141.1	68%	0.682	80%	0.8	S	S	*	*			cis	-150.7	164.2	26.9	45.9	-25.6	0	0	0	120.4
448	I	32.5	Very low	27.9	Very low	148 Å²	148	140.4 Å²	140.4	76%	0.759	81%	0.807	S	S	*	*				46.8	142.5	127.3	-58.3	171.7	0	0	0	119.8
449	P	34.8	Very low	28.1	Very low	93 Å²	93	140.7 Å²	140.7	60%	0.604	81%	0.809	S	S	*	*			cis	-133.2	-175.4	-8	38.8	-21.1	0	0	0	115.7
450	M	29.9	Very low	28.1	Very low	168 Å²	168	140.6 Å²	140.6	83%	0.828	81%	0.806	S	S	*	*			trans	55.4	107.6	147.9	-79.2	-179.9	-76	0	0	119.8
451	D	28.5	Very low	28.1	Very low	170 Å²	170	140 Å²	140	91%	0.909	81%	0.806	S	S	*	*				-153.5	146.1	120.5	-113.9	-28.9	0	0	0	110.1
452	T	25.8	Very low	28.1	Very low	134 Å²	134	137.3 Å²	137.3	82%	0.822	79%	0.793	S	S	*	*			trans	-109	106.9	-176.8	50.4	0	0	0	0	111.9
453	S	27	Very low	28.3	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	79%	0.787	S	S	*	*			trans	-179	148.1	148.8	38.5	0	0	0	0	113.7
454	N	26.7	Very low	28.5	Very low	163 Å²	163	137.1 Å²	137.1	87%	0.872	77%	0.774	S	S	*	*			trans	51.5	81.3	150.4	-56.9	3.8	0	0	0	118.5
455	A	28.5	Very low	28.8	Very low	94 Å²	94	133.7 Å²	133.7	78%	0.777	75%	0.754	S	S	*	*			trans	-150.1	55	159.1	0	0	0	0	0	111.6	E457	A455-E457 PolarHBondContact O-N 2.94Å
456	E	27	Very low	29.4	Very low	198 Å²	198	133.5 Å²	133.5	93%	0.925	74%	0.741	S	S	*	*			trans	-79.6	113.3	162.6	-73.2	-178.6	165.9	0	0	107.9
457	E	27.5	Very low	30.8	Very low	182 Å²	182	127.7 Å²	127.7	85%	0.85	72%	0.715	S	S	*	*			trans	-77.8	140.3	-175.3	-63.6	-174.4	128.4	0	0	111.3	A455 T459	A455-E457 PolarHBondContact O-N 2.94Å; E457-T459 PolarHBondContact O-N 3.31Å
458	S	25.6	Very low	32	Very low	124 Å²	124	125.5 Å²	125.5	87%	0.867	70%	0.695	S	S	*	*			trans	-77.1	102.2	-175.2	56	0	0	0	0	112.5
459	T	26.1	Very low	33.5	Very low	127 Å²	127	121.8 Å²	121.8	78%	0.779	68%	0.675	S	S	*	*			trans	-82.6	147.4	157.8	47.4	0	0	0	0	110.6	E457	E457-T459 PolarHBondContact O-N 3.31Å
460	P	27	Very low	34.9	Very low	97 Å²	97	117.9 Å²	117.9	63%	0.63	65%	0.65	S	S	*	*			trans	-78.3	150.9	-168.7	31.3	-35.9	0	0	0	113.9	E462	P460-E462 PolarHBondContact O-N 3.22Å
461	Q	25.5	Very low	36.9	Very low	184 Å²	184	111 Å²	111	86%	0.86	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	36.6	-171	-56	178.5	-94.9	0	0	114.4
462	E	27.4	Very low	39	Very low	143 Å²	143	103.3 Å²	103.3	67%	0.668	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-29	-173.3	-63.4	-171	155.3	0	0	113.4	P460 S464 T465	P460-E462 PolarHBondContact O-N 3.22Å; E462-S464 VanDerWaalsContact C-N 3.33Å; E462-S464 PolarHBondContact O-N 3.44Å; E462-T465 PolarHBondContact O-N 3.21Å; E462-T465 PolarHBondContact O-OG1 3.48Å
463	D	31.6	Very low	41.4	Very low	141 Å²	141	97.1 Å²	97.1	75%	0.754	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32	-170.5	-66.8	-40.2	0	0	0	114.6	T465	D463-T465 PolarHBondContact O-N 3.42Å; D463-T465 VanDerWaalsContact O-N 3.15Å
464	S	30.4	Very low	43.8	Very low	79 Å²	79	92.3 Å²	92.3	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-71	-8.1	-177.3	62.3	0	0	0	0	114.4	E462	E462-S464 VanDerWaalsContact C-N 3.33Å; E462-S464 PolarHBondContact O-N 3.44Å
465	T	33	Very low	46.4	Very low	67 Å²	67	84.6 Å²	84.6	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-82	-33.1	-176.8	62.3	0	0	0	0	113.2	E462 D463 H469	E462-T465 PolarHBondContact O-N 3.21Å; E462-T465 PolarHBondContact O-OG1 3.48Å; D463-T465 PolarHBondContact O-N 3.42Å; D463-T465 VanDerWaalsContact O-N 3.15Å; T465-H469 PolarHBondContact O-CD2 3.05Å
466	F	43.6	Very low	49.1	Very low	114 Å²	114	80.1 Å²	80.1	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-74.3	-37	-169.6	-169.8	-102.3	0	0	0	113.5	H469 A470	F466-H469 PolarHBondContact O-N 3.28Å; F466-A470 PolarHBondContact O-N 2.96Å
467	D	55.8	Low	51.8	Low	46 Å²	46	71 Å²	71	25%	0.246	38%	0.383	C	S	.	.	H	α-helix	trans	-72.9	-38.3	-172.3	-68.4	-25	0	0	0	113	H469 A470 H471	D467-H469 VanDerWaalsContact C-N 3.29Å; D467-H469 PolarHBondContact O-N 3.3Å; D467-A470 WeakPolarHBondContact O-CB 3.47Å; D467-A470 PolarHBondContact O-N 2.76Å; D467-A470 VanDerWaalsContact O-N 3.09Å; D467-H471 PolarHBondContact O-CD2 3.29Å; D467-H471 VanDerWaalsContact O-CD2 3.28Å; D467-H471 PolarHBondContact O-N 3.24Å
468	F	58.4	Low	54.3	Low	59 Å²	59	62.3 Å²	62.3	26%	0.259	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-38.4	177.2	-167.2	-115.1	0	0	0	112	Y366 A470 H471 Q472	Y366-F468 AromaticContact CD2-CD1 3.93Å; Y366-F468 HydrophobicContact CD2-CD1 3.93Å; Y366-F468 HydrophobicContact CD2-CE1 4.13Å; F468-A470 VanDerWaalsContact C-N 3.33Å; F468-A470 PolarHBondContact O-N 3.33Å; F468-H471 WeakPolarHBondContact O-CB 3.44Å; F468-H471 PolarHBondContact O-N 3.49Å; F468-Q472 HydrophobicContact CE1-CG 4.49Å; F468-Q472 WeakPolarHBondContact O-CG 3.35Å; F468-Q472 PolarHBondContact O-N 2.85Å; F468-Q472 VanDerWaalsContact O-N 3.08Å
469	H	62.9	Low	57.1	Low	71 Å²	71	56.4 Å²	56.4	33%	0.329	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-35.9	174.2	-67.1	-26.8	0	0	0	112.9	T465 F466 D467 G473 E505 P507	T465-H469 PolarHBondContact O-CD2 3.05Å; F466-H469 PolarHBondContact O-N 3.28Å; D467-H469 VanDerWaalsContact C-N 3.29Å; D467-H469 PolarHBondContact O-N 3.3Å; H469-G473 PolarHBondContact O-N 2.82Å; H469-E505 IonicContact CE1-OE2 3.68Å; H469-E505 PolarHBondContact CE1-OE2 3.35Å; H469-E505 IonicContact ND1-OE2 3.71Å; H469-E505 PolarHBondContact ND1-OE2 3.46Å; H469-E505 VanDerWaalsContact ND1-OE2 3.14Å; H469-P507 HydrophobicContact CB-CB 4.01Å; H469-P507 HydrophobicContact CB-CG 3.44Å; H469-P507 VanDerWaalsContact CB-CG 3.44Å; H469-P507 VanDerWaalsContact CG-CG 3.47Å
470	A	65	Low	59.8	Low	11 Å²	11	50.4 Å²	50.4	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-40.4	174.6	0	0	0	0	0	112.4	M336 F466 D467 F468 G473 L474	M336-A470 HydrophobicContact CE-CB 4.23Å; F466-A470 PolarHBondContact O-N 2.96Å; D467-A470 WeakPolarHBondContact O-CB 3.47Å; D467-A470 PolarHBondContact O-N 2.76Å; D467-A470 VanDerWaalsContact O-N 3.09Å; F468-A470 VanDerWaalsContact C-N 3.33Å; F468-A470 PolarHBondContact O-N 3.33Å; A470-G473 PolarHBondContact O-N 3.34Å; A470-L474 PolarHBondContact O-N 3.49Å
471	H	71.2	Confident	62.5	Low	24 Å²	24	46.1 Å²	46.1	11%	0.111	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-49.7	174.8	-67.7	-39.2	0	0	0	112	S335 M339 D467 F468 G473 L474 A475	S335-H471 PolarHBondContact OG-CE1 3.02Å; S335-H471 PolarHBondContact OG-NE2 3.37Å; M339-H471 HydrophobicContact CE-CB 3.73Å; D467-H471 PolarHBondContact O-CD2 3.29Å; D467-H471 VanDerWaalsContact O-CD2 3.28Å; D467-H471 PolarHBondContact O-N 3.24Å; F468-H471 WeakPolarHBondContact O-CB 3.44Å; F468-H471 PolarHBondContact O-N 3.49Å; H471-G473 PolarHBondContact O-N 3.49Å; H471-L474 PolarHBondContact O-N 3.29Å; H471-A475 PolarHBondContact O-N 3.02Å; H471-A475 VanDerWaalsContact O-N 3.12Å
472	Q	74.2	Confident	65.2	Low	7 Å²	7	37.4 Å²	37.4	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-45.9	177.1	-70.7	-179.4	-2.5	0	0	112.4	L362 F468 L474 A475 V476 E505 I508	L362-Q472 HydrophobicContact CD2-CB 4.3Å; F468-Q472 HydrophobicContact CE1-CG 4.49Å; F468-Q472 WeakPolarHBondContact O-CG 3.35Å; F468-Q472 PolarHBondContact O-N 2.85Å; F468-Q472 VanDerWaalsContact O-N 3.08Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 3.28Å; Q472-A475 PolarHBondContact O-N 3.21Å; Q472-V476 WeakPolarHBondContact O-CG2 3.46Å; Q472-V476 PolarHBondContact O-N 3.07Å; Q472-E505 PolarHBondContact NE2-OE1 3.18Å; Q472-E505 PolarHBondContact OE1-OE2 3.45Å; Q472-I508 HydrophobicContact CB-CD1 4.22Å; Q472-I508 HydrophobicContact CB-CG1 3.8Å; Q472-I508 HydrophobicContact CG-CD1 4.25Å; Q472-I508 HydrophobicContact CG-CG1 4.36Å
473	G	76.2	Confident	67.8	Low	4 Å²	4	30.7 Å²	30.7	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-38.4	-179.4	0	0	0	0	0	113.4	H469 A470 H471	H469-G473 PolarHBondContact O-N 2.82Å; A470-G473 PolarHBondContact O-N 3.34Å; H471-G473 PolarHBondContact O-N 3.49Å
474	L	77.5	Confident	70	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-42	175.4	-72.9	163.9	0	0	0	112.2	M336 I340 F343 A470 H471 Q472 V476 L477 G478 T623 L626	M336-L474 HydrophobicContact CE-CD1 4.34Å; M336-L474 HydrophobicContact CG-CD1 3.57Å; M336-L474 HydrophobicContact SD-CD1 3.92Å; I340-L474 HydrophobicContact CD1-CD1 4.04Å; I340-L474 HydrophobicContact CD1-CD2 4.17Å; I340-L474 HydrophobicContact CG1-CD1 4.48Å; I340-L474 HydrophobicContact CG1-CD2 4.38Å; F343-L474 WeakPolarHBondContact CE2-O 3.5Å; A470-L474 PolarHBondContact O-N 3.49Å; H471-L474 PolarHBondContact O-N 3.29Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 3.28Å; L474-V476 VanDerWaalsContact C-N 3.28Å; L474-V476 PolarHBondContact O-N 3.3Å; L474-L477 WeakPolarHBondContact O-CB 3.07Å; L474-L477 PolarHBondContact O-N 3.1Å; L474-L477 VanDerWaalsContact O-N 3.08Å; L474-G478 PolarHBondContact O-N 3.16Å; L474-T623 HydrophobicContact CD2-CG2 3.91Å; L474-L626 HydrophobicContact CD2-CD1 3.65Å; L474-L626 HydrophobicContact CG-CD1 3.93Å
475	A	80.5	Confident	71.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-34.1	178.9	0	0	0	0	0	113.1	M339 F343 L362 H471 Q472 G478 V479	M339-A475 HydrophobicContact SD-CB 4.44Å; F343-A475 HydrophobicContact CZ-CB 4.14Å; L362-A475 HydrophobicContact CD1-CB 4.17Å; L362-A475 HydrophobicContact CD2-CB 3.92Å; L362-A475 HydrophobicContact CG-CB 3.92Å; H471-A475 PolarHBondContact O-N 3.02Å; H471-A475 VanDerWaalsContact O-N 3.12Å; Q472-A475 PolarHBondContact O-N 3.21Å; A475-G478 PolarHBondContact O-N 3.1Å; A475-V479 PolarHBondContact O-N 3.09Å; A475-V479 VanDerWaalsContact O-N 3.09Å
476	V	84.7	Confident	73.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-37.2	173.8	-179.7	0	0	0	0	111.9	L362 Q472 L474 A480 F497 I508 A511 V512 A515	L362-V476 HydrophobicContact CD1-CG2 4.1Å; L362-V476 HydrophobicContact CD2-CG2 3.8Å; Q472-V476 WeakPolarHBondContact O-CG2 3.46Å; Q472-V476 PolarHBondContact O-N 3.07Å; L474-V476 VanDerWaalsContact C-N 3.28Å; L474-V476 PolarHBondContact O-N 3.3Å; V476-A480 PolarHBondContact O-N 3.04Å; V476-F497 HydrophobicContact CG1-CD1 4.17Å; V476-F497 HydrophobicContact CG1-CE1 3.88Å; V476-I508 HydrophobicContact CG2-CG1 4.47Å; V476-I508 HydrophobicContact CG2-CG2 4.13Å; V476-A511 HydrophobicContact CB-CB 4.08Å; V476-A511 HydrophobicContact CG1-CB 4.24Å; V476-V512 HydrophobicContact CG1-CG2 3.8Å; V476-A515 HydrophobicContact CG1-CB 3.81Å
477	L	83.3	Confident	75.5	Confident	6 Å²	6	23.4 Å²	23.4	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-68.8	-38.4	172.4	-65.1	178.3	0	0	0	111.7	L474 V479 A480 I481 L514 A515 T623 L626	L474-L477 WeakPolarHBondContact O-CB 3.07Å; L474-L477 PolarHBondContact O-N 3.1Å; L474-L477 VanDerWaalsContact O-N 3.08Å; L477-V479 PolarHBondContact O-N 3.46Å; L477-A480 WeakPolarHBondContact O-CB 3.44Å; L477-A480 PolarHBondContact O-N 3.18Å; L477-A480 VanDerWaalsContact O-N 3.1Å; L477-I481 WeakPolarHBondContact O-CD1 3.49Å; L477-I481 WeakPolarHBondContact O-CG1 3.27Å; L477-I481 PolarHBondContact O-N 3.31Å; L477-L514 HydrophobicContact CD2-CB 3.91Å; L477-A515 HydrophobicContact CD2-CB 4.25Å; L477-T623 HydrophobicContact CD1-CG2 3.84Å; L477-L626 HydrophobicContact CD1-CD1 3.94Å; L477-L626 HydrophobicContact CD1-CD2 4.16Å; L477-L626 HydrophobicContact CD1-CG 4.12Å
478	G	81.4	Confident	76.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.2	-46.5	175.9	0	0	0	0	0	113.2	F343 L474 A475 A480 I481 I482	F343-G478 VanDerWaalsContact CG-CA 3.49Å; L474-G478 PolarHBondContact O-N 3.16Å; A475-G478 PolarHBondContact O-N 3.1Å; G478-A480 VanDerWaalsContact C-N 3.26Å; G478-A480 PolarHBondContact O-N 3.09Å; G478-I481 PolarHBondContact O-N 3.2Å; G478-I482 WeakPolarHBondContact O-CG1 3.13Å; G478-I482 PolarHBondContact O-N 3.17Å; G478-I482 VanDerWaalsContact O-N 3.1Å
479	V	83.3	Confident	77.6	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-57.7	-38.6	174.5	172.3	0	0	0	0	111.7	I355 L358 L362 A475 L477 A483 F497	I355-V479 HydrophobicContact CG2-CG1 4.33Å; L358-V479 HydrophobicContact CB-CG2 3.92Å; L358-V479 HydrophobicContact CD1-CG2 4.13Å; L362-V479 HydrophobicContact CD1-CG2 4.39Å; A475-V479 PolarHBondContact O-N 3.09Å; A475-V479 VanDerWaalsContact O-N 3.09Å; L477-V479 PolarHBondContact O-N 3.46Å; V479-A483 WeakPolarHBondContact O-CB 3.46Å; V479-A483 PolarHBondContact O-N 3.36Å; V479-A483 VanDerWaalsContact O-N 3.16Å; V479-F497 HydrophobicContact CG1-CE1 4.28Å; V479-F497 HydrophobicContact CG1-CZ 4.27Å
480	A	83.8	Confident	78.4	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-43	176.7	0	0	0	0	0	112.8	V476 L477 G478 A483 M484 F497 A515 L518	V476-A480 PolarHBondContact O-N 3.04Å; L477-A480 WeakPolarHBondContact O-CB 3.44Å; L477-A480 PolarHBondContact O-N 3.18Å; L477-A480 VanDerWaalsContact O-N 3.1Å; G478-A480 VanDerWaalsContact C-N 3.26Å; G478-A480 PolarHBondContact O-N 3.09Å; A480-A483 PolarHBondContact O-N 3.02Å; A480-M484 VanDerWaalsContact O-CG 3.32Å; A480-M484 WeakPolarHBondContact O-CG 3.2Å; A480-M484 PolarHBondContact O-N 3.46Å; A480-M484 VanDerWaalsContact O-N 3.1Å; A480-F497 HydrophobicContact CB-CZ 3.96Å; A480-A515 HydrophobicContact CB-CB 3.91Å; A480-L518 HydrophobicContact CB-CB 4.3Å; A480-L518 HydrophobicContact CB-CD2 3.74Å
481	I	83.1	Confident	79.2	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-43.7	-178.1	-68.7	158.4	0	0	0	111.6	A347 G348 L477 G478 A483 L518 L619	A347-I481 HydrophobicContact CB-CG2 3.54Å; G348-I481 PolarHBondContact N-O 3.34Å; L477-I481 WeakPolarHBondContact O-CD1 3.49Å; L477-I481 WeakPolarHBondContact O-CG1 3.27Å; L477-I481 PolarHBondContact O-N 3.31Å; G478-I481 PolarHBondContact O-N 3.2Å; I481-A483 VanDerWaalsContact C-N 3.33Å; I481-L518 HydrophobicContact CB-CD2 4.43Å; I481-L518 HydrophobicContact CD1-CD1 4.26Å; I481-L518 HydrophobicContact CG1-CD1 3.61Å; I481-L518 HydrophobicContact CG1-CD2 3.8Å; I481-L518 HydrophobicContact CG1-CG 4.41Å; I481-L619 HydrophobicContact CD1-CD1 3.6Å; I481-L619 HydrophobicContact CD1-CG 4.07Å; I481-L619 HydrophobicContact CG1-CD1 4.41Å
482	I	82.6	Confident	79.7	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-37.2	176.6	-57.2	167.8	0	0	0	110.2	G350 K354 I355 L358 G478 M484	G350-I482 PolarHBondContact N-O 2.98Å; K354-I482 HydrophobicContact CB-CD1 4.33Å; I355-I482 HydrophobicContact CD1-CB 4.38Å; I355-I482 HydrophobicContact CD1-CG2 3.87Å; I355-I482 HydrophobicContact CG1-CB 4.15Å; I355-I482 HydrophobicContact CG1-CD1 4.4Å; I355-I482 HydrophobicContact CG1-CG2 3.8Å; L358-I482 HydrophobicContact CD1-CD1 3.99Å; G478-I482 WeakPolarHBondContact O-CG1 3.13Å; G478-I482 PolarHBondContact O-N 3.17Å; G478-I482 VanDerWaalsContact O-N 3.1Å; I482-M484 PolarHBondContact O-N 3.1Å
483	A	81.7	Confident	80.1	Confident	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-74.3	-18.1	-177.9	0	0	0	0	0	115.5	V479 A480 I481 G485 L490 A493	V479-A483 WeakPolarHBondContact O-CB 3.46Å; V479-A483 PolarHBondContact O-N 3.36Å; V479-A483 VanDerWaalsContact O-N 3.16Å; A480-A483 PolarHBondContact O-N 3.02Å; I481-A483 VanDerWaalsContact C-N 3.33Å; A483-G485 PolarHBondContact O-N 3.44Å; A483-L490 PolarHBondContact O-N 3.48Å; A483-A493 HydrophobicContact CB-CB 3.75Å
484	M	76.8	Confident	80.5	Confident	7 Å²	7	29.4 Å²	29.4	3%	0.034	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.4	-176.3	-64	-172.8	90.7	0	0	114.6	A480 I482 E486 L518 P602 W603 L615	A480-M484 VanDerWaalsContact O-CG 3.32Å; A480-M484 WeakPolarHBondContact O-CG 3.2Å; A480-M484 PolarHBondContact O-N 3.46Å; A480-M484 VanDerWaalsContact O-N 3.1Å; I482-M484 PolarHBondContact O-N 3.1Å; M484-E486 VanDerWaalsContact C-N 3.29Å; M484-E486 PolarHBondContact O-N 2.93Å; M484-L518 HydrophobicContact CE-CD2 4.23Å; M484-L518 WeakPolarHBondContact CE-O 3.41Å; M484-L518 HydrophobicContact CG-CD2 3.5Å; M484-L518 HydrophobicContact SD-CD2 3.44Å; M484-L518 WeakPolarHBondContact SD-CD2 3.35Å; M484-L518 HydrophobicContact SD-CG 4.2Å; M484-P602 HydrophobicContact CE-CG 3.9Å; M484-W603 HydrophobicContact CB-CZ2 3.89Å; M484-W603 PolarHBondContact SD-NE1 3.22Å; M484-W603 VanDerWaalsContact SD-NE1 3.43Å; M484-L615 HydrophobicContact SD-CD1 3.74Å
485	G	70	Confident	80.8	Confident	17 Å²	17	36.8 Å²	36.8	18%	0.175	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.5	-168.7	0	0	0	0	0	115.2	A483	A483-G485 PolarHBondContact O-N 3.44Å
486	E	76.1	Confident	80.9	Confident	95 Å²	95	40.4 Å²	40.4	44%	0.444	20%	0.197	S	C	.	.			trans	-135.1	141.5	-177.7	-63.6	-169.1	168.5	0	0	111.8	M484 I488 G489 L490	M484-E486 VanDerWaalsContact C-N 3.29Å; M484-E486 PolarHBondContact O-N 2.93Å; E486-I488 PolarHBondContact O-N 3.29Å; E486-G489 PolarHBondContact O-N 3.23Å; E486-G489 VanDerWaalsContact O-N 3.14Å; E486-L490 PolarHBondContact O-N 3.41Å
487	E	76.6	Confident	80.9	Confident	128 Å²	128	40.5 Å²	40.5	60%	0.598	20%	0.198	S	C	*	.	H	α-helix	trans	-63.8	-34	175.3	-53.7	-144.9	125.7	0	0	111.9	L490 D491 R607	E487-L490 PolarHBondContact O-N 3.36Å; E487-D491 WeakPolarHBondContact O-CB 3.49Å; E487-D491 PolarHBondContact O-N 3.33Å; E487-R607 IonicContact OE1-CZ 2.73Å; E487-R607 IonicContact OE1-NE 3.24Å; E487-R607 PolarHBondContact OE1-NE 3Å; E487-R607 IonicContact OE1-NH2 3.41Å; E487-R607 PolarHBondContact OE1-NH2 2.72Å
488	I	80.7	Confident	80.9	Confident	110 Å²	110	41.7 Å²	41.7	56%	0.564	21%	0.211	S	C	*	.	H	α-helix	trans	-64.6	-45.2	173.5	-57.9	173.8	0	0	0	110	E486 L490 D491 M492	E486-I488 PolarHBondContact O-N 3.29Å; I488-L490 PolarHBondContact O-N 3.48Å; I488-D491 PolarHBondContact O-N 3.02Å; I488-M492 HydrophobicContact CG2-CE 3.68Å; I488-M492 HydrophobicContact CG2-SD 4.26Å; I488-M492 WeakPolarHBondContact O-CB 3.44Å; I488-M492 VanDerWaalsContact O-CG 3.31Å; I488-M492 WeakPolarHBondContact O-CG 3.32Å; I488-M492 PolarHBondContact O-N 2.96Å
489	G	77.9	Confident	81	Confident	12 Å²	12	46.8 Å²	46.8	12%	0.124	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-45.5	175.5	0	0	0	0	0	112.6	E486 M492 A493	E486-G489 PolarHBondContact O-N 3.23Å; E486-G489 VanDerWaalsContact O-N 3.14Å; G489-M492 PolarHBondContact O-N 3.48Å; G489-A493 VanDerWaalsContact O-CB 3.29Å; G489-A493 WeakPolarHBondContact O-CB 3.29Å; G489-A493 PolarHBondContact O-N 3.45Å
490	L	79.3	Confident	81	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-45.3	175.6	-70.5	174.4	0	0	0	112.9	A483 E486 E487 I488 M492 A493 F494 C519	A483-L490 PolarHBondContact O-N 3.48Å; E486-L490 PolarHBondContact O-N 3.41Å; E487-L490 PolarHBondContact O-N 3.36Å; I488-L490 PolarHBondContact O-N 3.48Å; L490-M492 VanDerWaalsContact C-N 3.3Å; L490-M492 PolarHBondContact O-N 3.14Å; L490-A493 PolarHBondContact O-N 3.18Å; L490-F494 PolarHBondContact O-N 3.35Å; L490-C519 HydrophobicContact CD2-CB 3.6Å; L490-C519 WeakPolarHBondContact CD2-O 3.32Å
491	D	82.2	Confident	80.8	Confident	60 Å²	60	49.1 Å²	49.1	32%	0.321	25%	0.247	S	C	.	.	H	α-helix	trans	-71.9	-25.4	-178.7	-142.5	65	0	0	0	112.2	E487 I488 R495	E487-D491 WeakPolarHBondContact O-CB 3.49Å; E487-D491 PolarHBondContact O-N 3.33Å; I488-D491 PolarHBondContact O-N 3.02Å; D491-R495 WeakPolarHBondContact O-CD 3.23Å; D491-R495 VanDerWaalsContact O-CG 3.3Å; D491-R495 WeakPolarHBondContact O-CG 3.5Å; D491-R495 PolarHBondContact O-NE 3.41Å; D491-R495 VanDerWaalsContact O-NE 3.1Å; D491-R495 IonicContact OD2-CZ 3.71Å; D491-R495 IonicContact OD2-NE 3.81Å; D491-R495 IonicContact OD2-NH2 2.72Å; D491-R495 PolarHBondContact OD2-NH2 3.21Å
492	M	81.6	Confident	80.7	Confident	105 Å²	105	58.1 Å²	58.1	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-72	-49	166	-73	-178.3	-179.4	0	0	111.8	I488 G489 L490 F494 R495 M496	I488-M492 HydrophobicContact CG2-CE 3.68Å; I488-M492 HydrophobicContact CG2-SD 4.26Å; I488-M492 WeakPolarHBondContact O-CB 3.44Å; I488-M492 VanDerWaalsContact O-CG 3.31Å; I488-M492 WeakPolarHBondContact O-CG 3.32Å; I488-M492 PolarHBondContact O-N 2.96Å; G489-M492 PolarHBondContact O-N 3.48Å; L490-M492 VanDerWaalsContact C-N 3.3Å; L490-M492 PolarHBondContact O-N 3.14Å; M492-F494 VanDerWaalsContact C-N 3.35Å; M492-F494 PolarHBondContact O-N 3.38Å; M492-R495 WeakPolarHBondContact O-CA 3.46Å; M492-R495 WeakPolarHBondContact O-CB 3.39Å; M492-R495 PolarHBondContact O-N 3.08Å; M492-M496 WeakPolarHBondContact O-CG 3.3Å; M492-M496 PolarHBondContact O-N 2.89Å
493	A	82	Confident	80.5	Confident	5 Å²	5	65 Å²	65	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-43.4	-179.6	0	0	0	0	0	111.7	A483 G489 L490 R495 M496 F497	A483-A493 HydrophobicContact CB-CB 3.75Å; G489-A493 VanDerWaalsContact O-CB 3.29Å; G489-A493 WeakPolarHBondContact O-CB 3.29Å; G489-A493 PolarHBondContact O-N 3.45Å; L490-A493 PolarHBondContact O-N 3.18Å; A493-R495 PolarHBondContact O-N 2.96Å; A493-M496 PolarHBondContact O-N 3.12Å; A493-F497 HydrophobicContact CB-CD2 4.36Å; A493-F497 HydrophobicContact CB-CE2 3.77Å; A493-F497 HydrophobicContact CB-CZ 4.22Å; A493-F497 WeakPolarHBondContact O-CD2 3.31Å; A493-F497 VanDerWaalsContact O-CG 3.27Å; A493-F497 WeakPolarHBondContact O-CG 3.43Å; A493-F497 PolarHBondContact O-N 3.09Å
494	F	85.2	Confident	80.1	Confident	52 Å²	52	65.3 Å²	65.3	23%	0.228	32%	0.315	C	S	.	.	H	α-helix	trans	-55.4	-37.7	173.9	-174.6	-96.4	0	0	0	112.8	L490 M492 G498 L516 Y520 K527 V528 T531	L490-F494 PolarHBondContact O-N 3.35Å; M492-F494 VanDerWaalsContact C-N 3.35Å; M492-F494 PolarHBondContact O-N 3.38Å; F494-G498 PolarHBondContact O-N 3.3Å; F494-G498 VanDerWaalsContact O-N 3.12Å; F494-L516 HydrophobicContact CD2-CD2 3.72Å; F494-L516 HydrophobicContact CE2-CD2 4.19Å; F494-Y520 HydrophobicContact CD2-CE2 4.15Å; F494-K527 HydrophobicContact CZ-CB 4.48Å; F494-V528 HydrophobicContact CD2-CG2 4.29Å; F494-V528 HydrophobicContact CE2-CG2 3.96Å; F494-T531 HydrophobicContact CZ-CG2 4.24Å
495	R	84.5	Confident	80.3	Confident	160 Å²	160	67.8 Å²	67.8	60%	0.604	33%	0.326	S	S	*	.	H	α-helix	trans	-73.2	-39.2	175.7	-61.4	169	-157	-161.9	5	111.8	D491 M492 A493 G498 H499	D491-R495 WeakPolarHBondContact O-CD 3.23Å; D491-R495 VanDerWaalsContact O-CG 3.3Å; D491-R495 WeakPolarHBondContact O-CG 3.5Å; D491-R495 PolarHBondContact O-NE 3.41Å; D491-R495 VanDerWaalsContact O-NE 3.1Å; D491-R495 IonicContact OD2-CZ 3.71Å; D491-R495 IonicContact OD2-NE 3.81Å; D491-R495 IonicContact OD2-NH2 2.72Å; D491-R495 PolarHBondContact OD2-NH2 3.21Å; M492-R495 WeakPolarHBondContact O-CA 3.46Å; M492-R495 WeakPolarHBondContact O-CB 3.39Å; M492-R495 PolarHBondContact O-N 3.08Å; A493-R495 PolarHBondContact O-N 2.96Å; R495-G498 PolarHBondContact O-N 3.27Å; R495-H499 PolarHBondContact O-N 3.45Å
496	M	82.9	Confident	80.8	Confident	76 Å²	76	71.1 Å²	71.1	37%	0.374	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-43.6	176.5	-65.1	-57.6	98.1	0	0	111.8	L359 M492 A493 G498 H499 L500	L359-M496 HydrophobicContact CD1-CG 4.43Å; L359-M496 HydrophobicContact CD1-SD 4.26Å; M492-M496 WeakPolarHBondContact O-CG 3.3Å; M492-M496 PolarHBondContact O-N 2.89Å; A493-M496 PolarHBondContact O-N 3.12Å; M496-G498 VanDerWaalsContact C-N 3.28Å; M496-G498 PolarHBondContact O-N 2.97Å; M496-H499 WeakPolarHBondContact O-CA 3.46Å; M496-H499 WeakPolarHBondContact O-CB 3.41Å; M496-H499 PolarHBondContact O-N 2.94Å; M496-L500 WeakPolarHBondContact O-CG 3.22Å; M496-L500 PolarHBondContact O-N 3.35Å
497	F	84.1	Confident	80.9	Confident	1 Å²	1	67.7 Å²	67.7	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-40.2	171	-62.8	-40	0	0	0	111.5	V476 V479 A480 A493 H499 L500 L501 V512 A515 L516	V476-F497 HydrophobicContact CG1-CD1 4.17Å; V476-F497 HydrophobicContact CG1-CE1 3.88Å; V479-F497 HydrophobicContact CG1-CE1 4.28Å; V479-F497 HydrophobicContact CG1-CZ 4.27Å; A480-F497 HydrophobicContact CB-CZ 3.96Å; A493-F497 HydrophobicContact CB-CD2 4.36Å; A493-F497 HydrophobicContact CB-CE2 3.77Å; A493-F497 HydrophobicContact CB-CZ 4.22Å; A493-F497 WeakPolarHBondContact O-CD2 3.31Å; A493-F497 VanDerWaalsContact O-CG 3.27Å; A493-F497 WeakPolarHBondContact O-CG 3.43Å; A493-F497 PolarHBondContact O-N 3.09Å; F497-H499 PolarHBondContact O-N 2.93Å; F497-L500 HydrophobicContact CD1-CD1 4.06Å; F497-L500 PolarHBondContact O-N 3.42Å; F497-L501 WeakPolarHBondContact O-CB 3.44Å; F497-L501 WeakPolarHBondContact O-CD1 3.49Å; F497-L501 VanDerWaalsContact O-CG 3.27Å; F497-L501 WeakPolarHBondContact O-CG 3.39Å; F497-L501 PolarHBondContact O-N 3.15Å; F497-V512 HydrophobicContact CB-CG1 3.77Å; F497-V512 HydrophobicContact CD1-CG1 4.43Å; F497-V512 HydrophobicContact CD1-CG2 4.19Å; F497-V512 HydrophobicContact CG-CG1 4.2Å; F497-A515 HydrophobicContact CD1-CB 4.48Å; F497-A515 HydrophobicContact CE1-CB 3.83Å; F497-A515 HydrophobicContact CE2-CB 4.27Å; F497-A515 HydrophobicContact CZ-CB 3.73Å; F497-L516 HydrophobicContact CB-CD2 4.48Å; F497-L516 HydrophobicContact CD2-CD2 3.75Å; F497-L516 HydrophobicContact CD2-CG 4.19Å; F497-L516 HydrophobicContact CG-CD2 4.49Å
498	G	83.8	Confident	81.2	Confident	31 Å²	31	61.8 Å²	61.8	32%	0.32	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-19.8	171.9	0	0	0	0	0	115.4	F494 R495 M496 R502	F494-G498 PolarHBondContact O-N 3.3Å; F494-G498 VanDerWaalsContact O-N 3.12Å; R495-G498 PolarHBondContact O-N 3.27Å; M496-G498 VanDerWaalsContact C-N 3.28Å; M496-G498 PolarHBondContact O-N 2.97Å; G498-R502 WeakPolarHBondContact O-CG 3.16Å; G498-R502 PolarHBondContact O-NE 3.17Å
499	H	83.7	Confident	81.3	Confident	108 Å²	108	59.6 Å²	59.6	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-88.9	-47.2	171.7	-170.6	-96.5	0	0	0	111.5	R495 M496 F497 L501 R502 F503	R495-H499 PolarHBondContact O-N 3.45Å; M496-H499 WeakPolarHBondContact O-CA 3.46Å; M496-H499 WeakPolarHBondContact O-CB 3.41Å; M496-H499 PolarHBondContact O-N 2.94Å; F497-H499 PolarHBondContact O-N 2.93Å; H499-L501 VanDerWaalsContact C-N 3.27Å; H499-L501 PolarHBondContact O-N 3.09Å; H499-R502 WeakPolarHBondContact O-CB 3.37Å; H499-R502 PolarHBondContact O-N 3.36Å; H499-F503 AromaticContact CD2-CD2 3.74Å; H499-F503 AromaticContact CD2-CE2 3.69Å; H499-F503 AromaticContact CE1-CD2 3.5Å; H499-F503 AromaticContact CE1-CE2 3.95Å; H499-F503 AromaticContact ND1-CD2 3.88Å; H499-F503 AromaticContact NE2-CD2 3.39Å; H499-F503 WeakPolarHBondContact NE2-CD2 3.43Å; H499-F503 AromaticContact NE2-CE2 3.35Å; H499-F503 WeakPolarHBondContact NE2-CE2 3.33Å; H499-F503 PolarHBondContact O-N 3.28Å; H499-F503 VanDerWaalsContact O-N 3.15Å
500	L	82.3	Confident	81.5	Confident	15 Å²	15	61.1 Å²	61.1	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-37.7	176.5	-71.4	165.6	0	0	0	112.3	L362 M496 F497 R502 G504 I508 V512	L362-L500 HydrophobicContact CB-CD2 4.36Å; L362-L500 HydrophobicContact CD1-CD1 4.44Å; L362-L500 HydrophobicContact CD1-CD2 4.49Å; M496-L500 WeakPolarHBondContact O-CG 3.22Å; M496-L500 PolarHBondContact O-N 3.35Å; F497-L500 HydrophobicContact CD1-CD1 4.06Å; F497-L500 PolarHBondContact O-N 3.42Å; L500-R502 PolarHBondContact O-N 3.13Å; L500-G504 VanDerWaalsContact O-CA 3.29Å; L500-G504 WeakPolarHBondContact O-CA 3.48Å; L500-G504 PolarHBondContact O-N 3.42Å; L500-I508 HydrophobicContact CB-CG2 3.95Å; L500-I508 HydrophobicContact CD2-CG2 4.17Å; L500-V512 HydrophobicContact CB-CG2 4.23Å
501	L	80.7	Confident	81.8	Confident	34 Å²	34	61 Å²	61	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-26.8	174	-76.4	161.2	0	0	0	114.1	F497 H499 K509 V512 F535	F497-L501 WeakPolarHBondContact O-CB 3.44Å; F497-L501 WeakPolarHBondContact O-CD1 3.49Å; F497-L501 VanDerWaalsContact O-CG 3.27Å; F497-L501 WeakPolarHBondContact O-CG 3.39Å; F497-L501 PolarHBondContact O-N 3.15Å; H499-L501 VanDerWaalsContact C-N 3.27Å; H499-L501 PolarHBondContact O-N 3.09Å; L501-K509 WeakPolarHBondContact O-CE 3.45Å; L501-V512 HydrophobicContact CD1-CG1 3.72Å; L501-V512 HydrophobicContact CD2-CB 3.99Å; L501-V512 HydrophobicContact CD2-CG1 3.87Å; L501-V512 HydrophobicContact CD2-CG2 4.49Å; L501-V512 HydrophobicContact CG-CB 4.16Å; L501-V512 HydrophobicContact CG-CG1 3.7Å; L501-V512 HydrophobicContact CG-CG2 4.32Å; L501-F535 HydrophobicContact CD1-CE1 4.19Å; L501-F535 HydrophobicContact CD1-CE2 3.92Å; L501-F535 HydrophobicContact CD1-CZ 3.43Å; L501-F535 VanDerWaalsContact CD1-CZ 3.43Å; L501-F535 HydrophobicContact CD2-CE1 4.12Å; L501-F535 HydrophobicContact CD2-CE2 4.41Å; L501-F535 HydrophobicContact CD2-CZ 4.03Å; L501-F535 HydrophobicContact CG-CZ 4.35Å
502	R	80.9	Confident	82	Confident	198 Å²	198	58.1 Å²	58.1	75%	0.747	27%	0.27	S	S	*	.	H	α-helix	trans	-85.9	-43.8	-180	-63.8	177.1	-175.6	-157.5	-1.8	111.8	G498 H499 L500	G498-R502 WeakPolarHBondContact O-CG 3.16Å; G498-R502 PolarHBondContact O-NE 3.17Å; H499-R502 WeakPolarHBondContact O-CB 3.37Å; H499-R502 PolarHBondContact O-N 3.36Å; L500-R502 PolarHBondContact O-N 3.13Å
503	F	78.5	Confident	82.3	Confident	144 Å²	144	53.1 Å²	53.1	63%	0.632	25%	0.246	S	C	*	.	H	α-helix	trans	-108.8	-15	-168.5	-63.6	-70.9	0	0	0	115	H499	H499-F503 AromaticContact CD2-CD2 3.74Å; H499-F503 AromaticContact CD2-CE2 3.69Å; H499-F503 AromaticContact CE1-CD2 3.5Å; H499-F503 AromaticContact CE1-CE2 3.95Å; H499-F503 AromaticContact ND1-CD2 3.88Å; H499-F503 AromaticContact NE2-CD2 3.39Å; H499-F503 WeakPolarHBondContact NE2-CD2 3.43Å; H499-F503 AromaticContact NE2-CE2 3.35Å; H499-F503 WeakPolarHBondContact NE2-CE2 3.33Å; H499-F503 PolarHBondContact O-N 3.28Å; H499-F503 VanDerWaalsContact O-N 3.15Å
504	G	73	Confident	82.4	Confident	10 Å²	10	52.9 Å²	52.9	10%	0.103	24%	0.244	C	C	.	.	S	Bend	trans	-75.9	159.6	-178.4	0	0	0	0	0	114	L500 K509	L500-G504 VanDerWaalsContact O-CA 3.29Å; L500-G504 WeakPolarHBondContact O-CA 3.48Å; L500-G504 PolarHBondContact O-N 3.42Å; G504-K509 WeakPolarHBondContact O-CE 3.47Å; G504-K509 PolarHBondContact O-NZ 3.13Å
505	E	81.1	Confident	82.5	Confident	58 Å²	58	50.4 Å²	50.4	27%	0.271	23%	0.233	S	C	.	.			trans	-66.3	172.6	172.3	-65.1	172	-139.8	0	0	112.1	H469 Q472 P507 I508 K509	H469-E505 IonicContact CE1-OE2 3.68Å; H469-E505 PolarHBondContact CE1-OE2 3.35Å; H469-E505 IonicContact ND1-OE2 3.71Å; H469-E505 PolarHBondContact ND1-OE2 3.46Å; H469-E505 VanDerWaalsContact ND1-OE2 3.14Å; Q472-E505 PolarHBondContact NE2-OE1 3.18Å; Q472-E505 PolarHBondContact OE1-OE2 3.45Å; E505-P507 VanDerWaalsContact C-CD 3.46Å; E505-I508 PolarHBondContact O-N 3.48Å; E505-K509 PolarHBondContact O-N 3.43Å
506	L	79.4	Confident	82.6	Confident	87 Å²	87	43 Å²	43	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-58.4	-39.3	178.8	-173	60.3	0	0	0	113.9	K509 R510 D540	L506-K509 PolarHBondContact O-N 3.32Å; L506-R510 VanDerWaalsContact O-CG 3.28Å; L506-R510 WeakPolarHBondContact O-CG 3.39Å; L506-R510 PolarHBondContact O-N 3.15Å; L506-D540 HydrophobicContact CD1-CB 4.44Å
507	P	78	Confident	82.7	Confident	24 Å²	24	39.3 Å²	39.3	16%	0.156	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-42.5	175.4	-17.1	30	0	0	0	112.9	H469 E505 K509 R510 A511	H469-P507 HydrophobicContact CB-CB 4.01Å; H469-P507 HydrophobicContact CB-CG 3.44Å; H469-P507 VanDerWaalsContact CB-CG 3.44Å; H469-P507 VanDerWaalsContact CG-CG 3.47Å; E505-P507 VanDerWaalsContact C-CD 3.46Å; P507-K509 VanDerWaalsContact C-N 3.31Å; P507-K509 PolarHBondContact O-N 3.09Å; P507-R510 WeakPolarHBondContact O-CB 3.26Å; P507-R510 PolarHBondContact O-N 3.23Å; P507-A511 PolarHBondContact O-N 3.41Å
508	I	83.3	Confident	82.7	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-47.7	173.9	-69.5	171.8	0	0	0	109.8	L362 Q472 V476 L500 E505 R510 A511 V512	L362-I508 HydrophobicContact CD2-CD1 4.16Å; L362-I508 HydrophobicContact CD2-CG1 4.3Å; Q472-I508 HydrophobicContact CB-CD1 4.22Å; Q472-I508 HydrophobicContact CB-CG1 3.8Å; Q472-I508 HydrophobicContact CG-CD1 4.25Å; Q472-I508 HydrophobicContact CG-CG1 4.36Å; V476-I508 HydrophobicContact CG2-CG1 4.47Å; V476-I508 HydrophobicContact CG2-CG2 4.13Å; L500-I508 HydrophobicContact CB-CG2 3.95Å; L500-I508 HydrophobicContact CD2-CG2 4.17Å; E505-I508 PolarHBondContact O-N 3.48Å; I508-R510 VanDerWaalsContact C-N 3.34Å; I508-R510 PolarHBondContact O-N 2.94Å; I508-A511 PolarHBondContact O-N 3.19Å; I508-V512 WeakPolarHBondContact O-CG2 3.48Å; I508-V512 PolarHBondContact O-N 2.59Å
509	K	83.5	Confident	82.6	Confident	64 Å²	64	38.3 Å²	38.3	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-58.8	-44	177	-76.6	162.6	173.2	144.2	0	111.9	L501 G504 E505 L506 P507 A511 V512 P513 L543	L501-K509 WeakPolarHBondContact O-CE 3.45Å; G504-K509 WeakPolarHBondContact O-CE 3.47Å; G504-K509 PolarHBondContact O-NZ 3.13Å; E505-K509 PolarHBondContact O-N 3.43Å; L506-K509 PolarHBondContact O-N 3.32Å; P507-K509 VanDerWaalsContact C-N 3.31Å; P507-K509 PolarHBondContact O-N 3.09Å; K509-A511 VanDerWaalsContact C-N 3.34Å; K509-A511 PolarHBondContact O-N 3.35Å; K509-V512 PolarHBondContact O-N 3.49Å; K509-P513 WeakPolarHBondContact O-CD 3.34Å; K509-L543 VanDerWaalsContact O-CD1 3.25Å; K509-L543 WeakPolarHBondContact O-CD1 3.14Å
510	R	82.5	Confident	82.6	Confident	44 Å²	44	33.6 Å²	33.6	17%	0.166	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-34.9	175.7	-71.4	163.6	177.4	-163.8	-12.2	113.2	L506 P507 I508 D540 E542 L543 N546	L506-R510 VanDerWaalsContact O-CG 3.28Å; L506-R510 WeakPolarHBondContact O-CG 3.39Å; L506-R510 PolarHBondContact O-N 3.15Å; P507-R510 WeakPolarHBondContact O-CB 3.26Å; P507-R510 PolarHBondContact O-N 3.23Å; I508-R510 VanDerWaalsContact C-N 3.34Å; I508-R510 PolarHBondContact O-N 2.94Å; R510-D540 IonicContact CZ-OD1 2.69Å; R510-D540 IonicContact CZ-OD2 2.75Å; R510-D540 IonicContact NE-OD1 2.74Å; R510-D540 IonicContact NE-OD2 3.28Å; R510-D540 PolarHBondContact NE-OD2 3.25Å; R510-D540 VanDerWaalsContact NH2-CG 3.35Å; R510-D540 IonicContact NH2-OD1 2.66Å; R510-D540 PolarHBondContact NH2-OD1 3.12Å; R510-D540 IonicContact NH2-OD2 3.71Å; R510-D540 PolarHBondContact NH2-OD2 2.7Å; R510-E542 HydrophobicContact CG-CB 4.2Å; R510-E542 IonicContact CZ-OE1 2.82Å; R510-E542 IonicContact CZ-OE2 2.71Å; R510-E542 IonicContact NE-OE2 3.12Å; R510-E542 IonicContact NH1-OE1 3Å; R510-E542 PolarHBondContact NH1-OE1 3.25Å; R510-E542 IonicContact NH1-OE2 3.11Å; R510-E542 PolarHBondContact NH1-OE2 3.32Å; R510-E542 VanDerWaalsContact NH2-CD 3.29Å; R510-E542 IonicContact NH2-OE1 3.17Å; R510-E542 PolarHBondContact NH2-OE1 3.34Å; R510-E542 IonicContact NH2-OE2 3.16Å; R510-L543 HydrophobicContact CG-CB 4.33Å; R510-N546 PolarHBondContact O-ND2 2.76Å
511	A	84.3	Confident	82.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-78.2	-30.6	-179.7	0	0	0	0	0	113.9	V476 P507 I508 K509 L514 A515 L626	V476-A511 HydrophobicContact CB-CB 4.08Å; V476-A511 HydrophobicContact CG1-CB 4.24Å; P507-A511 PolarHBondContact O-N 3.41Å; I508-A511 PolarHBondContact O-N 3.19Å; K509-A511 VanDerWaalsContact C-N 3.34Å; K509-A511 PolarHBondContact O-N 3.35Å; A511-L514 WeakPolarHBondContact O-CB 3.34Å; A511-L514 PolarHBondContact O-N 2.97Å; A511-L514 VanDerWaalsContact O-N 3.08Å; A511-A515 PolarHBondContact O-N 3.39Å; A511-A515 VanDerWaalsContact O-N 3.07Å; A511-L626 HydrophobicContact CB-CD2 3.99Å
512	V	86.6	Confident	82.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-42.4	-176	166.4	0	0	0	0	114.4	V476 F497 L500 L501 I508 K509 L514 A515 L516	V476-V512 HydrophobicContact CG1-CG2 3.8Å; F497-V512 HydrophobicContact CB-CG1 3.77Å; F497-V512 HydrophobicContact CD1-CG1 4.43Å; F497-V512 HydrophobicContact CD1-CG2 4.19Å; F497-V512 HydrophobicContact CG-CG1 4.2Å; L500-V512 HydrophobicContact CB-CG2 4.23Å; L501-V512 HydrophobicContact CD1-CG1 3.72Å; L501-V512 HydrophobicContact CD2-CB 3.99Å; L501-V512 HydrophobicContact CD2-CG1 3.87Å; L501-V512 HydrophobicContact CD2-CG2 4.49Å; L501-V512 HydrophobicContact CG-CB 4.16Å; L501-V512 HydrophobicContact CG-CG1 3.7Å; L501-V512 HydrophobicContact CG-CG2 4.32Å; I508-V512 WeakPolarHBondContact O-CG2 3.48Å; I508-V512 PolarHBondContact O-N 2.59Å; K509-V512 PolarHBondContact O-N 3.49Å; V512-L514 VanDerWaalsContact C-N 3.28Å; V512-L514 PolarHBondContact O-N 3.16Å; V512-A515 PolarHBondContact O-N 3.13Å; V512-L516 HydrophobicContact CG1-CD1 3.95Å; V512-L516 HydrophobicContact CG1-CG 4.23Å; V512-L516 WeakPolarHBondContact O-CG 3.27Å; V512-L516 PolarHBondContact O-N 3.22Å
513	P	87.6	Confident	82.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.1	-37.2	174.7	-28.2	35.6	0	0	0	113.9	K509 L516 A517 L532 F535 L543 S547 A550	K509-P513 WeakPolarHBondContact O-CD 3.34Å; P513-L516 PolarHBondContact O-N 3.4Å; P513-A517 PolarHBondContact O-N 2.68Å; P513-L532 HydrophobicContact CB-CD2 3.8Å; P513-F535 HydrophobicContact CG-CD2 4.33Å; P513-L543 HydrophobicContact CG-CD1 3.74Å; P513-S547 WeakPolarHBondContact CG-OG 3.41Å; P513-A550 HydrophobicContact CB-CB 4.12Å; P513-A550 WeakPolarHBondContact O-CB 3.29Å
514	L	85.3	Confident	82.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.9	-39.4	177.5	-58.4	177.4	0	0	0	111.3	L477 A511 V512 A517 L518 N546 L622 C625 L626	L477-L514 HydrophobicContact CD2-CB 3.91Å; A511-L514 WeakPolarHBondContact O-CB 3.34Å; A511-L514 PolarHBondContact O-N 2.97Å; A511-L514 VanDerWaalsContact O-N 3.08Å; V512-L514 VanDerWaalsContact C-N 3.28Å; V512-L514 PolarHBondContact O-N 3.16Å; L514-A517 WeakPolarHBondContact O-CB 3.45Å; L514-A517 PolarHBondContact O-N 2.75Å; L514-L518 PolarHBondContact O-N 3.26Å; L514-N546 HydrophobicContact CD2-CB 4.03Å; L514-N546 HydrophobicContact CG-CB 4.08Å; L514-L622 HydrophobicContact CB-CD2 4.04Å; L514-L622 HydrophobicContact CD2-CD2 3.96Å; L514-C625 HydrophobicContact CD1-CB 3.61Å; L514-C625 HydrophobicContact CD2-CB 3.72Å; L514-C625 HydrophobicContact CG-CB 4.33Å; L514-L626 HydrophobicContact CD1-CD2 4.13Å
515	A	86.4	Confident	82.7	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-41.5	172.7	0	0	0	0	0	112.5	V476 L477 A480 F497 A511 V512 A517 L518 C519	V476-A515 HydrophobicContact CG1-CB 3.81Å; L477-A515 HydrophobicContact CD2-CB 4.25Å; A480-A515 HydrophobicContact CB-CB 3.91Å; F497-A515 HydrophobicContact CD1-CB 4.48Å; F497-A515 HydrophobicContact CE1-CB 3.83Å; F497-A515 HydrophobicContact CE2-CB 4.27Å; F497-A515 HydrophobicContact CZ-CB 3.73Å; A511-A515 PolarHBondContact O-N 3.39Å; A511-A515 VanDerWaalsContact O-N 3.07Å; V512-A515 PolarHBondContact O-N 3.13Å; A515-A517 VanDerWaalsContact C-N 3.29Å; A515-A517 PolarHBondContact O-N 3.28Å; A515-L518 PolarHBondContact O-N 3.38Å; A515-C519 PolarHBondContact O-N 3.4Å; A515-C519 PolarHBondContact O-SG 3.3Å
516	L	86.1	Confident	82.8	Confident	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-35.8	171.4	-74.3	170.8	0	0	0	112.1	F494 F497 V512 P513 C519 Y520 V528 L532 F535	F494-L516 HydrophobicContact CD2-CD2 3.72Å; F494-L516 HydrophobicContact CE2-CD2 4.19Å; F497-L516 HydrophobicContact CB-CD2 4.48Å; F497-L516 HydrophobicContact CD2-CD2 3.75Å; F497-L516 HydrophobicContact CD2-CG 4.19Å; F497-L516 HydrophobicContact CG-CD2 4.49Å; V512-L516 HydrophobicContact CG1-CD1 3.95Å; V512-L516 HydrophobicContact CG1-CG 4.23Å; V512-L516 WeakPolarHBondContact O-CG 3.27Å; V512-L516 PolarHBondContact O-N 3.22Å; P513-L516 PolarHBondContact O-N 3.4Å; L516-C519 PolarHBondContact O-N 2.86Å; L516-Y520 HydrophobicContact CD2-CE2 4.48Å; L516-Y520 WeakPolarHBondContact O-CD2 3.33Å; L516-Y520 PolarHBondContact O-N 2.92Å; L516-V528 HydrophobicContact CB-CG1 4.48Å; L516-L532 HydrophobicContact CB-CD2 4.4Å; L516-L532 HydrophobicContact CD1-CD2 4.27Å; L516-F535 HydrophobicContact CD1-CE2 4.43Å
517	A	85.5	Confident	83.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-43.4	175.1	0	0	0	0	0	112.1	P513 L514 A515 Y520 V521 A550 I553 V554 L622	P513-A517 PolarHBondContact O-N 2.68Å; L514-A517 WeakPolarHBondContact O-CB 3.45Å; L514-A517 PolarHBondContact O-N 2.75Å; A515-A517 VanDerWaalsContact C-N 3.29Å; A515-A517 PolarHBondContact O-N 3.28Å; A517-Y520 CarbonylContact O-C 3.47Å; A517-Y520 PolarHBondContact O-N 2.98Å; A517-V521 VanDerWaalsContact O-CG2 3.22Å; A517-V521 WeakPolarHBondContact O-CG2 3.34Å; A517-V521 PolarHBondContact O-N 2.87Å; A517-V521 VanDerWaalsContact O-N 3.09Å; A517-A550 HydrophobicContact CB-CB 3.8Å; A517-I553 HydrophobicContact CB-CB 4.24Å; A517-I553 HydrophobicContact CB-CG2 4.23Å; A517-V554 HydrophobicContact CB-CG2 4.35Å; A517-L622 HydrophobicContact CB-CD2 4.44Å
518	L	83.8	Confident	83.5	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-64	-39.6	175.6	-166.8	146.5	0	0	0	111.7	A480 I481 M484 L514 A515 Y520 L622	A480-L518 HydrophobicContact CB-CB 4.3Å; A480-L518 HydrophobicContact CB-CD2 3.74Å; I481-L518 HydrophobicContact CB-CD2 4.43Å; I481-L518 HydrophobicContact CD1-CD1 4.26Å; I481-L518 HydrophobicContact CG1-CD1 3.61Å; I481-L518 HydrophobicContact CG1-CD2 3.8Å; I481-L518 HydrophobicContact CG1-CG 4.41Å; M484-L518 HydrophobicContact CE-CD2 4.23Å; M484-L518 WeakPolarHBondContact CE-O 3.41Å; M484-L518 HydrophobicContact CG-CD2 3.5Å; M484-L518 HydrophobicContact SD-CD2 3.44Å; M484-L518 WeakPolarHBondContact SD-CD2 3.35Å; M484-L518 HydrophobicContact SD-CG 4.2Å; L514-L518 PolarHBondContact O-N 3.26Å; A515-L518 PolarHBondContact O-N 3.38Å; L518-Y520 VanDerWaalsContact C-N 3.31Å; L518-Y520 PolarHBondContact O-N 3.47Å; L518-L622 HydrophobicContact CB-CD1 3.85Å; L518-L622 HydrophobicContact CD1-CD1 3.74Å; L518-L622 HydrophobicContact CG-CD1 4.18Å
519	C	83.1	Confident	83.6	Confident	7 Å²	7	22.6 Å²	22.6	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-27.2	175.8	-77.6	0	0	0	0	114.7	L490 A515 L516	L490-C519 HydrophobicContact CD2-CB 3.6Å; L490-C519 WeakPolarHBondContact CD2-O 3.32Å; A515-C519 PolarHBondContact O-N 3.4Å; A515-C519 PolarHBondContact O-SG 3.3Å; L516-C519 PolarHBondContact O-N 2.86Å
520	Y	82.8	Confident	83.8	Confident	10 Å²	10	22.1 Å²	22.1	4%	0.039	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	32.8	-170.4	-63.8	-81.9	0	0	0	114.1	F494 L516 A517 L518 S522 N523 Q525 V528	F494-Y520 HydrophobicContact CD2-CE2 4.15Å; L516-Y520 HydrophobicContact CD2-CE2 4.48Å; L516-Y520 WeakPolarHBondContact O-CD2 3.33Å; L516-Y520 PolarHBondContact O-N 2.92Å; A517-Y520 CarbonylContact O-C 3.47Å; A517-Y520 PolarHBondContact O-N 2.98Å; L518-Y520 VanDerWaalsContact C-N 3.31Å; L518-Y520 PolarHBondContact O-N 3.47Å; Y520-S522 PolarHBondContact O-N 3.17Å; Y520-N523 PolarHBondContact O-N 3.49Å; Y520-Q525 HydrophobicContact CD1-CG 4.14Å; Y520-Q525 HydrophobicContact CE1-CG 4.31Å; Y520-V528 HydrophobicContact CD1-CG2 4.15Å; Y520-V528 HydrophobicContact CD2-CB 4.47Å; Y520-V528 HydrophobicContact CD2-CG1 4.03Å; Y520-V528 HydrophobicContact CD2-CG2 3.65Å; Y520-V528 HydrophobicContact CE1-CG2 4.14Å; Y520-V528 HydrophobicContact CE2-CG2 3.64Å; Y520-V528 HydrophobicContact CG-CG1 4.45Å; Y520-V528 HydrophobicContact CG-CG2 3.92Å
521	V	82.3	Confident	84	Confident	8 Å²	8	21.6 Å²	21.6	5%	0.048	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	125.7	177.8	-175.9	0	0	0	0	111.4	A517 N523 I553 L600 L618	A517-V521 VanDerWaalsContact O-CG2 3.22Å; A517-V521 WeakPolarHBondContact O-CG2 3.34Å; A517-V521 PolarHBondContact O-N 2.87Å; A517-V521 VanDerWaalsContact O-N 3.09Å; V521-N523 PolarHBondContact O-N 3.1Å; V521-I553 HydrophobicContact CG1-CG2 4.28Å; V521-I553 HydrophobicContact CG2-CG2 4.17Å; V521-L600 HydrophobicContact CG1-CB 3.63Å; V521-L618 HydrophobicContact CG1-CD1 4.05Å; V521-L618 HydrophobicContact CG2-CD1 4.04Å
522	S	75.7	Confident	84	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	20	-177.8	-64.9	0	0	0	0	115.6	Y520 I553 V554 A556 T558 L600	Y520-S522 PolarHBondContact O-N 3.17Å; S522-I553 PolarHBondContact N-O 3.26Å; S522-V554 CarbonylContact C-O 3.54Å; S522-V554 WeakPolarHBondContact CA-O 3.02Å; S522-V554 PolarHBondContact N-O 3.28Å; S522-A556 WeakPolarHBondContact CB-O 3.38Å; S522-A556 PolarHBondContact OG-O 2.94Å; S522-T558 VanDerWaalsContact O-CG2 3.26Å; S522-T558 WeakPolarHBondContact O-CG2 3.28Å; S522-L600 PolarHBondContact OG-N 3.48Å
523	N	81.5	Confident	84	Confident	24 Å²	24	22.7 Å²	22.7	13%	0.128	12%	0.117	C	C	.	.			trans	-121.8	91	175.8	-171.2	-15.9	0	0	0	110.6	Y520 V521 Q525 V554 H698	Y520-N523 PolarHBondContact O-N 3.49Å; V521-N523 PolarHBondContact O-N 3.1Å; N523-Q525 PolarHBondContact O-N 2.93Å; N523-Q525 WeakPolarHBondContact OD1-CG 3.5Å; N523-V554 PolarHBondContact N-O 2.66Å; N523-V554 WeakPolarHBondContact O-CG1 3.32Å; N523-H698 PolarHBondContact ND2-CE1 3.24Å; N523-H698 PolarHBondContact ND2-ND1 3.29Å
524	P	76.6	Confident	84	Confident	28 Å²	28	29.4 Å²	29.4	18%	0.182	15%	0.146	C	C	.	.			trans	-79.7	61.1	-169.9	33.9	-36.5	0	0	0	112.7	L526 L529 T558 N560 L563	P524-L526 PolarHBondContact O-N 3.11Å; P524-L529 HydrophobicContact CB-CD1 4.06Å; P524-T558 HydrophobicContact CG-CG2 4.06Å; P524-N560 HydrophobicContact CB-CB 4.42Å; P524-N560 HydrophobicContact CG-CB 4.42Å; P524-L563 HydrophobicContact CB-CD1 4.49Å
525	Q	81.6	Confident	83.9	Confident	60 Å²	60	31.2 Å²	31.2	28%	0.28	15%	0.154	S	C	.	.			trans	-62.7	123.9	175.9	-64.9	-157.8	8.4	0	0	111.1	Y520 N523 K527 V528 L529	Y520-Q525 HydrophobicContact CD1-CG 4.14Å; Y520-Q525 HydrophobicContact CE1-CG 4.31Å; N523-Q525 PolarHBondContact O-N 2.93Å; N523-Q525 WeakPolarHBondContact OD1-CG 3.5Å; Q525-K527 PolarHBondContact O-N 3.37Å; Q525-K527 VanDerWaalsContact O-N 3.12Å; Q525-V528 HydrophobicContact CB-CG2 4.03Å; Q525-V528 PolarHBondContact O-N 2.69Å; Q525-L529 PolarHBondContact O-N 2.9Å; Q525-L529 VanDerWaalsContact O-N 3.09Å
526	L	82.8	Confident	83.7	Confident	84 Å²	84	31.2 Å²	31.2	44%	0.44	15%	0.154	S	C	.	.	H	α-helix	trans	-55.1	-36.3	-177.3	-58.3	-178.8	0	0	0	113	P524 V528 L529 D530	P524-L526 PolarHBondContact O-N 3.11Å; L526-V528 VanDerWaalsContact C-N 3.29Å; L526-V528 PolarHBondContact O-N 2.66Å; L526-L529 PolarHBondContact O-N 3.48Å; L526-D530 VanDerWaalsContact O-CB 3.29Å; L526-D530 WeakPolarHBondContact O-CB 3.4Å; L526-D530 VanDerWaalsContact O-CG 3.26Å; L526-D530 PolarHBondContact O-N 3.19Å
527	K	85.4	Confident	83.7	Confident	138 Å²	138	35.2 Å²	35.2	60%	0.6	17%	0.173	S	C	*	.	H	α-helix	trans	-57.2	-39.5	175.7	-63.8	177.9	-176.3	171	0	113	F494 Q525 T531	F494-K527 HydrophobicContact CZ-CB 4.48Å; Q525-K527 PolarHBondContact O-N 3.37Å; Q525-K527 VanDerWaalsContact O-N 3.12Å; K527-T531 PolarHBondContact O-N 3.03Å
528	V	86	Confident	83.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-82.2	-39.3	-176.3	-175.2	0	0	0	0	110.1	F494 L516 Y520 Q525 L526 D530 T531 L532	F494-V528 HydrophobicContact CD2-CG2 4.29Å; F494-V528 HydrophobicContact CE2-CG2 3.96Å; L516-V528 HydrophobicContact CB-CG1 4.48Å; Y520-V528 HydrophobicContact CD1-CG2 4.15Å; Y520-V528 HydrophobicContact CD2-CB 4.47Å; Y520-V528 HydrophobicContact CD2-CG1 4.03Å; Y520-V528 HydrophobicContact CD2-CG2 3.65Å; Y520-V528 HydrophobicContact CE1-CG2 4.14Å; Y520-V528 HydrophobicContact CE2-CG2 3.64Å; Y520-V528 HydrophobicContact CG-CG1 4.45Å; Y520-V528 HydrophobicContact CG-CG2 3.92Å; Q525-V528 HydrophobicContact CB-CG2 4.03Å; Q525-V528 PolarHBondContact O-N 2.69Å; L526-V528 VanDerWaalsContact C-N 3.29Å; L526-V528 PolarHBondContact O-N 2.66Å; V528-D530 VanDerWaalsContact C-N 3.33Å; V528-D530 PolarHBondContact O-N 3.06Å; V528-T531 PolarHBondContact O-N 2.99Å; V528-T531 PolarHBondContact O-OG1 2.74Å; V528-L532 HydrophobicContact CG1-CD1 4.04Å; V528-L532 HydrophobicContact CG1-CG 4.35Å; V528-L532 WeakPolarHBondContact O-CB 3.35Å; V528-L532 WeakPolarHBondContact O-CG 3.21Å; V528-L532 PolarHBondContact O-N 3.09Å
529	L	85.6	Confident	83.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-39.7	173.5	-60.9	179	0	0	0	111.7	P524 Q525 L526 T531 L532 S533 V554 L563	P524-L529 HydrophobicContact CB-CD1 4.06Å; Q525-L529 PolarHBondContact O-N 2.9Å; Q525-L529 VanDerWaalsContact O-N 3.09Å; L526-L529 PolarHBondContact O-N 3.48Å; L529-T531 VanDerWaalsContact C-N 3.26Å; L529-T531 PolarHBondContact O-N 3.16Å; L529-L532 PolarHBondContact O-N 3.35Å; L529-S533 WeakPolarHBondContact O-CB 3.19Å; L529-S533 PolarHBondContact O-N 2.94Å; L529-V554 HydrophobicContact CD2-CB 4.48Å; L529-V554 HydrophobicContact CD2-CG1 3.86Å; L529-L563 HydrophobicContact CD1-CB 4.32Å; L529-L563 HydrophobicContact CD1-CD1 3.98Å; L529-L563 HydrophobicContact CD1-CG 4.29Å; L529-L563 HydrophobicContact CD2-CD1 3.62Å; L529-L563 HydrophobicContact CD2-CG 4.1Å; L529-L563 HydrophobicContact CG-CD1 4.48Å
530	D	87.6	Confident	83.4	Confident	54 Å²	54	45.1 Å²	45.1	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-75.9	-6.2	177.3	-69.2	-20.1	0	0	0	114	L526 V528 K534 R562 M566	L526-D530 VanDerWaalsContact O-CB 3.29Å; L526-D530 WeakPolarHBondContact O-CB 3.4Å; L526-D530 VanDerWaalsContact O-CG 3.26Å; L526-D530 PolarHBondContact O-N 3.19Å; V528-D530 VanDerWaalsContact C-N 3.33Å; V528-D530 PolarHBondContact O-N 3.06Å; D530-K534 VanDerWaalsContact O-CD 3.3Å; D530-K534 WeakPolarHBondContact O-CD 3.13Å; D530-K534 WeakPolarHBondContact O-CE 3.18Å; D530-K534 PolarHBondContact O-NZ 2.96Å; D530-R562 IonicContact OD1-CZ 2.77Å; D530-R562 IonicContact OD1-NH2 2.96Å; D530-R562 PolarHBondContact OD1-NH2 3.29Å; D530-R562 IonicContact OD2-CZ 3.85Å; D530-R562 IonicContact OD2-NH2 3.52Å; D530-R562 PolarHBondContact OD2-NH2 3.3Å; D530-M566 WeakPolarHBondContact OD1-CE 3.13Å
531	T	86.9	Confident	83.4	Confident	33 Å²	33	46.4 Å²	46.4	20%	0.202	25%	0.247	C	C	.	.	H	α-helix	trans	-94.8	-49.6	164.3	52.9	0	0	0	0	111.1	F494 K527 V528 L529 S533 K534 F535	F494-T531 HydrophobicContact CZ-CG2 4.24Å; K527-T531 PolarHBondContact O-N 3.03Å; V528-T531 PolarHBondContact O-N 2.99Å; V528-T531 PolarHBondContact O-OG1 2.74Å; L529-T531 VanDerWaalsContact C-N 3.26Å; L529-T531 PolarHBondContact O-N 3.16Å; T531-S533 VanDerWaalsContact C-N 3.29Å; T531-S533 PolarHBondContact O-N 3.43Å; T531-K534 WeakPolarHBondContact O-CB 3.21Å; T531-K534 PolarHBondContact O-N 2.92Å; T531-F535 VanDerWaalsContact O-CD2 3.26Å; T531-F535 WeakPolarHBondContact O-CD2 3.47Å; T531-F535 WeakPolarHBondContact O-CE2 3.15Å; T531-F535 PolarHBondContact O-N 3.03Å
532	L	85.7	Confident	83.4	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-39.4	177.6	-67.3	174.8	0	0	0	112.7	P513 L516 V528 L529 K534 F535 S536 A550 M551 V554	P513-L532 HydrophobicContact CB-CD2 3.8Å; L516-L532 HydrophobicContact CB-CD2 4.4Å; L516-L532 HydrophobicContact CD1-CD2 4.27Å; V528-L532 HydrophobicContact CG1-CD1 4.04Å; V528-L532 HydrophobicContact CG1-CG 4.35Å; V528-L532 WeakPolarHBondContact O-CB 3.35Å; V528-L532 WeakPolarHBondContact O-CG 3.21Å; V528-L532 PolarHBondContact O-N 3.09Å; L529-L532 PolarHBondContact O-N 3.35Å; L532-K534 PolarHBondContact O-N 3.39Å; L532-F535 HydrophobicContact CD2-CD2 4.48Å; L532-F535 PolarHBondContact O-N 2.95Å; L532-S536 PolarHBondContact O-N 3.27Å; L532-A550 HydrophobicContact CD1-CB 4.03Å; L532-A550 HydrophobicContact CD2-CB 3.78Å; L532-M551 HydrophobicContact CB-CG 3.57Å; L532-M551 HydrophobicContact CB-SD 4.09Å; L532-M551 HydrophobicContact CD1-CG 3.91Å; L532-M551 HydrophobicContact CG-CG 4.38Å; L532-V554 HydrophobicContact CD1-CG2 4.09Å
533	S	86.5	Confident	83.9	Confident	24 Å²	24	47.3 Å²	47.3	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-32.8	175.3	175.9	0	0	0	0	112.7	L529 T531 S536 H537	L529-S533 WeakPolarHBondContact O-CB 3.19Å; L529-S533 PolarHBondContact O-N 2.94Å; T531-S533 VanDerWaalsContact C-N 3.29Å; T531-S533 PolarHBondContact O-N 3.43Å; S533-S536 WeakPolarHBondContact CA-OG 3.2Å; S533-S536 PolarHBondContact O-OG 3.12Å; S533-H537 PolarHBondContact O-CD2 2.95Å; S533-H537 VanDerWaalsContact O-CD2 3.28Å
534	K	86.4	Confident	84.1	Confident	141 Å²	141	46.2 Å²	46.2	61%	0.613	25%	0.245	S	C	*	.	H	α-helix	trans	-72	-40.9	176.4	-66.4	170.1	-176.8	132.1	0	111.2	D530 T531 L532 S536 H537	D530-K534 VanDerWaalsContact O-CD 3.3Å; D530-K534 WeakPolarHBondContact O-CD 3.13Å; D530-K534 WeakPolarHBondContact O-CE 3.18Å; D530-K534 PolarHBondContact O-NZ 2.96Å; T531-K534 WeakPolarHBondContact O-CB 3.21Å; T531-K534 PolarHBondContact O-N 2.92Å; L532-K534 PolarHBondContact O-N 3.39Å; K534-S536 VanDerWaalsContact C-N 3.34Å; K534-H537 PolarHBondContact O-N 3.04Å
535	F	84.6	Confident	84.5	Confident	37 Å²	37	45.3 Å²	45.3	16%	0.162	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-30	177.8	-51.1	-42	0	0	0	112.5	L501 P513 L516 T531 L532 H537 D538 L543 S547	L501-F535 HydrophobicContact CD1-CE1 4.19Å; L501-F535 HydrophobicContact CD1-CE2 3.92Å; L501-F535 HydrophobicContact CD1-CZ 3.43Å; L501-F535 VanDerWaalsContact CD1-CZ 3.43Å; L501-F535 HydrophobicContact CD2-CE1 4.12Å; L501-F535 HydrophobicContact CD2-CE2 4.41Å; L501-F535 HydrophobicContact CD2-CZ 4.03Å; L501-F535 HydrophobicContact CG-CZ 4.35Å; P513-F535 HydrophobicContact CG-CD2 4.33Å; L516-F535 HydrophobicContact CD1-CE2 4.43Å; T531-F535 VanDerWaalsContact O-CD2 3.26Å; T531-F535 WeakPolarHBondContact O-CD2 3.47Å; T531-F535 WeakPolarHBondContact O-CE2 3.15Å; T531-F535 PolarHBondContact O-N 3.03Å; L532-F535 HydrophobicContact CD2-CD2 4.48Å; L532-F535 PolarHBondContact O-N 2.95Å; F535-H537 PolarHBondContact O-N 3.45Å; F535-D538 WeakPolarHBondContact O-CB 3.35Å; F535-D538 PolarHBondContact O-N 3.2Å; F535-D538 VanDerWaalsContact O-N 3.11Å; F535-L543 HydrophobicContact CB-CD1 4.44Å; F535-L543 HydrophobicContact CB-CG 4.47Å; F535-S547 WeakPolarHBondContact CB-OG 3.5Å
536	S	82.3	Confident	84.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.9	172.7	65.6	0	0	0	0	115.6	L532 S533 K534 S544 L570 H574	L532-S536 PolarHBondContact O-N 3.27Å; S533-S536 WeakPolarHBondContact CA-OG 3.2Å; S533-S536 PolarHBondContact O-OG 3.12Å; K534-S536 VanDerWaalsContact C-N 3.34Å; S536-S544 PolarHBondContact O-OG 2.82Å; S536-L570 WeakPolarHBondContact OG-CD2 3.39Å; S536-H574 VanDerWaalsContact C-NE2 3.3Å; S536-H574 PolarHBondContact O-NE2 3.4Å
537	H	84.2	Confident	85	Confident	89 Å²	89	38.5 Å²	38.5	41%	0.412	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	5.8	172.4	-74.4	-61.7	0	0	0	113.1	S533 K534 F535 Y573	S533-H537 PolarHBondContact O-CD2 2.95Å; S533-H537 VanDerWaalsContact O-CD2 3.28Å; K534-H537 PolarHBondContact O-N 3.04Å; F535-H537 PolarHBondContact O-N 3.45Å; H537-Y573 AromaticContact ND1-CD1 3.94Å; H537-Y573 AromaticContact ND1-CE1 3.94Å
538	D	84.4	Confident	85.1	Confident	73 Å²	73	32 Å²	32	39%	0.39	18%	0.176	S	C	.	.	S	Bend	trans	-70.4	157.1	174.7	-150	-35.7	0	0	0	111.5	F535 L543	F535-D538 WeakPolarHBondContact O-CB 3.35Å; F535-D538 PolarHBondContact O-N 3.2Å; F535-D538 VanDerWaalsContact O-N 3.11Å; D538-L543 HydrophobicContact CB-CD2 3.88Å; D538-L543 HydrophobicContact CB-CG 4.44Å; D538-L543 WeakPolarHBondContact OD2-CD2 3.38Å
539	S	79.9	Confident	85.1	Confident	121 Å²	121	32.2 Å²	32.2	85%	0.846	18%	0.178	S	C	*	.	S	Bend	trans	-68.1	-26.5	178.7	57.8	0	0	0	0	114.7	A541	S539-A541 PolarHBondContact O-N 3.13Å
540	D	83.8	Confident	85.2	Confident	23 Å²	23	32.2 Å²	32.2	12%	0.123	18%	0.178	C	C	.	.			trans	-80.2	115.1	175.6	175.3	41	0	0	0	111.2	L506 R510 E542 L543 S544	L506-D540 HydrophobicContact CD1-CB 4.44Å; R510-D540 IonicContact CZ-OD1 2.69Å; R510-D540 IonicContact CZ-OD2 2.75Å; R510-D540 IonicContact NE-OD1 2.74Å; R510-D540 IonicContact NE-OD2 3.28Å; R510-D540 PolarHBondContact NE-OD2 3.25Å; R510-D540 VanDerWaalsContact NH2-CG 3.35Å; R510-D540 IonicContact NH2-OD1 2.66Å; R510-D540 PolarHBondContact NH2-OD1 3.12Å; R510-D540 IonicContact NH2-OD2 3.71Å; R510-D540 PolarHBondContact NH2-OD2 2.7Å; D540-E542 VanDerWaalsContact C-N 3.26Å; D540-E542 PolarHBondContact O-N 3.29Å; D540-E542 PolarHBondContact OD1-N 3.05Å; D540-L543 HydrophobicContact CB-CB 4.07Å; D540-L543 PolarHBondContact O-N 2.69Å; D540-L543 WeakPolarHBondContact OD2-CB 2.97Å; D540-L543 PolarHBondContact OD2-N 3.18Å; D540-L543 VanDerWaalsContact OD2-N 3.08Å; D540-S544 PolarHBondContact O-N 3.32Å
541	A	81.4	Confident	85.2	Confident	37 Å²	37	29.7 Å²	29.7	31%	0.306	16%	0.164	S	C	.	.	H	α-helix	trans	-58.2	-35.4	-178.8	0	0	0	0	0	113	S539 S544 H545	S539-A541 PolarHBondContact O-N 3.13Å; A541-S544 PolarHBondContact O-N 3.42Å; A541-H545 WeakPolarHBondContact O-CB 3.48Å; A541-H545 PolarHBondContact O-CD2 3.3Å; A541-H545 PolarHBondContact O-N 3.47Å; A541-H545 PolarHBondContact O-ND1 3.22Å; A541-H545 VanDerWaalsContact O-ND1 3.15Å
542	E	82.3	Confident	85.1	Confident	21 Å²	21	28.1 Å²	28.1	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-70.6	-42.6	179.2	-70.5	175	-114.2	0	0	112.1	R510 D540 S544 H545 N546 R629	R510-E542 HydrophobicContact CG-CB 4.2Å; R510-E542 IonicContact CZ-OE1 2.82Å; R510-E542 IonicContact CZ-OE2 2.71Å; R510-E542 IonicContact NE-OE2 3.12Å; R510-E542 IonicContact NH1-OE1 3Å; R510-E542 PolarHBondContact NH1-OE1 3.25Å; R510-E542 IonicContact NH1-OE2 3.11Å; R510-E542 PolarHBondContact NH1-OE2 3.32Å; R510-E542 VanDerWaalsContact NH2-CD 3.29Å; R510-E542 IonicContact NH2-OE1 3.17Å; R510-E542 PolarHBondContact NH2-OE1 3.34Å; R510-E542 IonicContact NH2-OE2 3.16Å; D540-E542 VanDerWaalsContact C-N 3.26Å; D540-E542 PolarHBondContact O-N 3.29Å; D540-E542 PolarHBondContact OD1-N 3.05Å; E542-S544 VanDerWaalsContact C-N 3.32Å; E542-S544 PolarHBondContact O-N 3.1Å; E542-H545 PolarHBondContact O-N 3.27Å; E542-N546 WeakPolarHBondContact O-CB 3.45Å; E542-N546 PolarHBondContact O-N 3.32Å; E542-R629 HydrophobicContact CG-CG 3.96Å; E542-R629 WeakPolarHBondContact OE1-CD 3.27Å; E542-R629 IonicContact OE1-CZ 3.62Å; E542-R629 IonicContact OE1-NE 3.88Å; E542-R629 PolarHBondContact OE1-NE 3.36Å; E542-R629 IonicContact OE1-NH1 2.78Å; E542-R629 PolarHBondContact OE1-NH1 3.37Å; E542-R629 VanDerWaalsContact OE1-NH1 3.17Å; E542-R629 IonicContact OE1-NH2 2.64Å; E542-R629 PolarHBondContact OE1-NH2 3.48Å; E542-R629 VanDerWaalsContact OE1-NH2 3.16Å
543	L	86.5	Confident	85.2	Confident	7 Å²	7	28.1 Å²	28.1	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-41.3	171.7	-179.4	59.3	0	0	0	112.1	K509 R510 P513 F535 D538 D540 S547	K509-L543 VanDerWaalsContact O-CD1 3.25Å; K509-L543 WeakPolarHBondContact O-CD1 3.14Å; R510-L543 HydrophobicContact CG-CB 4.33Å; P513-L543 HydrophobicContact CG-CD1 3.74Å; F535-L543 HydrophobicContact CB-CD1 4.44Å; F535-L543 HydrophobicContact CB-CG 4.47Å; D538-L543 HydrophobicContact CB-CD2 3.88Å; D538-L543 HydrophobicContact CB-CG 4.44Å; D538-L543 WeakPolarHBondContact OD2-CD2 3.38Å; D540-L543 HydrophobicContact CB-CB 4.07Å; D540-L543 PolarHBondContact O-N 2.69Å; D540-L543 WeakPolarHBondContact OD2-CB 2.97Å; D540-L543 PolarHBondContact OD2-N 3.18Å; D540-L543 VanDerWaalsContact OD2-N 3.08Å; L543-S547 VanDerWaalsContact O-CB 3.31Å; L543-S547 WeakPolarHBondContact O-CB 3.47Å; L543-S547 PolarHBondContact O-N 3.04Å; L543-S547 PolarHBondContact O-OG 3.37Å
544	S	84.8	Confident	85.2	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-51.7	174.4	178.3	0	0	0	0	111.5	S536 D540 A541 E542 N546 S547 I548 H574 N580	S536-S544 PolarHBondContact O-OG 2.82Å; D540-S544 PolarHBondContact O-N 3.32Å; A541-S544 PolarHBondContact O-N 3.42Å; E542-S544 VanDerWaalsContact C-N 3.32Å; E542-S544 PolarHBondContact O-N 3.1Å; S544-N546 PolarHBondContact O-N 3.49Å; S544-S547 PolarHBondContact O-N 3.26Å; S544-S547 VanDerWaalsContact O-N 3.15Å; S544-I548 WeakPolarHBondContact O-CD1 3.47Å; S544-I548 VanDerWaalsContact O-CG1 3.28Å; S544-I548 WeakPolarHBondContact O-CG1 3.29Å; S544-I548 PolarHBondContact O-N 3.19Å; S544-H574 PolarHBondContact OG-CE1 3.14Å; S544-H574 PolarHBondContact OG-NE2 2.7Å; S544-N580 PolarHBondContact OG-OD1 3.22Å
545	H	85.5	Confident	85	Confident	9 Å²	9	20.3 Å²	20.3	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-55	-49.1	177.8	-65	156.8	0	0	0	112.1	A541 E542 S547 I548 I549 N580 L583 M628	A541-H545 WeakPolarHBondContact O-CB 3.48Å; A541-H545 PolarHBondContact O-CD2 3.3Å; A541-H545 PolarHBondContact O-N 3.47Å; A541-H545 PolarHBondContact O-ND1 3.22Å; A541-H545 VanDerWaalsContact O-ND1 3.15Å; E542-H545 PolarHBondContact O-N 3.27Å; H545-S547 VanDerWaalsContact C-N 3.33Å; H545-S547 PolarHBondContact O-N 2.91Å; H545-I548 PolarHBondContact O-N 3.11Å; H545-I549 PolarHBondContact O-N 3.29Å; H545-I549 VanDerWaalsContact O-N 3.11Å; H545-N580 PolarHBondContact CD2-OD1 3.02Å; H545-L583 HydrophobicContact CB-CD1 3.56Å; H545-L583 VanDerWaalsContact CD2-CD1 3.46Å; H545-L583 WeakPolarHBondContact CD2-CD1 3.43Å; H545-M628 HydrophobicContact CB-CE 4.13Å; H545-M628 HydrophobicContact CB-SD 3.42Å; H545-M628 WeakPolarHBondContact CB-SD 3.43Å
546	N	87	Confident	85	Confident	2 Å²	2	18.5 Å²	18.5	1%	0.011	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-39	177.9	-82.6	-14	0	0	0	112.2	R510 L514 E542 S544 I548 A550 C625 M628	R510-N546 PolarHBondContact O-ND2 2.76Å; L514-N546 HydrophobicContact CD2-CB 4.03Å; L514-N546 HydrophobicContact CG-CB 4.08Å; E542-N546 WeakPolarHBondContact O-CB 3.45Å; E542-N546 PolarHBondContact O-N 3.32Å; S544-N546 PolarHBondContact O-N 3.49Å; N546-I548 VanDerWaalsContact C-N 3.34Å; N546-I548 PolarHBondContact O-N 3.23Å; N546-A550 VanDerWaalsContact O-CB 3.22Å; N546-A550 WeakPolarHBondContact O-CB 3.44Å; N546-A550 PolarHBondContact O-N 3.02Å; N546-C625 PolarHBondContact OD1-O 2.84Å; N546-M628 VanDerWaalsContact OD1-CG 3.26Å; N546-M628 WeakPolarHBondContact OD1-CG 3.3Å; N546-M628 PolarHBondContact OD1-SD 3.2Å
547	S	87.7	Confident	84.8	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.3	-34.5	177.5	-57.5	0	0	0	0	112.6	P513 F535 L543 S544 H545 A550 M551	P513-S547 WeakPolarHBondContact CG-OG 3.41Å; F535-S547 WeakPolarHBondContact CB-OG 3.5Å; L543-S547 VanDerWaalsContact O-CB 3.31Å; L543-S547 WeakPolarHBondContact O-CB 3.47Å; L543-S547 PolarHBondContact O-N 3.04Å; L543-S547 PolarHBondContact O-OG 3.37Å; S544-S547 PolarHBondContact O-N 3.26Å; S544-S547 VanDerWaalsContact O-N 3.15Å; H545-S547 VanDerWaalsContact C-N 3.33Å; H545-S547 PolarHBondContact O-N 2.91Å; S547-A550 PolarHBondContact O-N 3.2Å; S547-M551 WeakPolarHBondContact O-CE 3.29Å; S547-M551 WeakPolarHBondContact O-CG 3.37Å; S547-M551 PolarHBondContact O-N 3.34Å
548	I	88.4	Confident	84.4	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.6	-47.4	176.8	-68.9	159.3	0	0	0	110.9	S544 H545 N546 A550 M551 G552 L583 V584 A587	S544-I548 WeakPolarHBondContact O-CD1 3.47Å; S544-I548 VanDerWaalsContact O-CG1 3.28Å; S544-I548 WeakPolarHBondContact O-CG1 3.29Å; S544-I548 PolarHBondContact O-N 3.19Å; H545-I548 PolarHBondContact O-N 3.11Å; N546-I548 VanDerWaalsContact C-N 3.34Å; N546-I548 PolarHBondContact O-N 3.23Å; I548-A550 VanDerWaalsContact C-N 3.32Å; I548-A550 PolarHBondContact O-N 3.04Å; I548-M551 HydrophobicContact CG1-CE 4.43Å; I548-M551 PolarHBondContact O-N 2.94Å; I548-G552 PolarHBondContact O-N 2.97Å; I548-L583 VanDerWaalsContact CG2-C 3.47Å; I548-L583 HydrophobicContact CG2-CB 3.9Å; I548-V584 HydrophobicContact CD1-CG2 3.9Å; I548-V584 HydrophobicContact CG1-CG2 4.16Å; I548-V584 HydrophobicContact CG2-CB 4.27Å; I548-V584 HydrophobicContact CG2-CG2 3.7Å; I548-A587 HydrophobicContact CG2-CB 4.23Å; I548-A587 WeakPolarHBondContact O-CB 3.26Å
549	I	86.7	Confident	84.2	Confident	6 Å²	6	16.3 Å²	16.3	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-60.1	-44.1	172.5	-72.2	-169.5	0	0	0	110.7	H545 M551 G552 I553 L583 M628	H545-I549 PolarHBondContact O-N 3.29Å; H545-I549 VanDerWaalsContact O-N 3.11Å; I549-M551 VanDerWaalsContact C-N 3.33Å; I549-M551 PolarHBondContact O-N 3.46Å; I549-G552 WeakPolarHBondContact O-CA 3.5Å; I549-G552 PolarHBondContact O-N 3.12Å; I549-I553 HydrophobicContact CG2-CD1 3.66Å; I549-I553 HydrophobicContact CG2-CG1 4.25Å; I549-I553 PolarHBondContact O-N 3.32Å; I549-L583 HydrophobicContact CD1-CD2 3.93Å; I549-L583 HydrophobicContact CG1-CD2 4.05Å; I549-M628 HydrophobicContact CD1-CE 3.31Å; I549-M628 HydrophobicContact CD1-SD 4.09Å; I549-M628 HydrophobicContact CG1-CE 4.12Å
550	A	87.8	Confident	84.3	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.9	-43.5	179.5	0	0	0	0	0	112.7	P513 A517 L532 N546 S547 I548 G552 I553 V554	P513-A550 HydrophobicContact CB-CB 4.12Å; P513-A550 WeakPolarHBondContact O-CB 3.29Å; A517-A550 HydrophobicContact CB-CB 3.8Å; L532-A550 HydrophobicContact CD1-CB 4.03Å; L532-A550 HydrophobicContact CD2-CB 3.78Å; N546-A550 VanDerWaalsContact O-CB 3.22Å; N546-A550 WeakPolarHBondContact O-CB 3.44Å; N546-A550 PolarHBondContact O-N 3.02Å; S547-A550 PolarHBondContact O-N 3.2Å; I548-A550 VanDerWaalsContact C-N 3.32Å; I548-A550 PolarHBondContact O-N 3.04Å; A550-G552 VanDerWaalsContact C-N 3.31Å; A550-G552 PolarHBondContact O-N 3.06Å; A550-I553 PolarHBondContact O-N 2.79Å; A550-V554 WeakPolarHBondContact O-CB 3.5Å; A550-V554 VanDerWaalsContact O-CG2 3.32Å; A550-V554 WeakPolarHBondContact O-CG2 3.46Å; A550-V554 PolarHBondContact O-N 3.43Å
551	M	86.7	Confident	84.2	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-35.2	173.9	-72.9	-177.4	-73.3	0	0	112.7	L532 S547 I548 I549 G555 L570	L532-M551 HydrophobicContact CB-CG 3.57Å; L532-M551 HydrophobicContact CB-SD 4.09Å; L532-M551 HydrophobicContact CD1-CG 3.91Å; L532-M551 HydrophobicContact CG-CG 4.38Å; S547-M551 WeakPolarHBondContact O-CE 3.29Å; S547-M551 WeakPolarHBondContact O-CG 3.37Å; S547-M551 PolarHBondContact O-N 3.34Å; I548-M551 HydrophobicContact CG1-CE 4.43Å; I548-M551 PolarHBondContact O-N 2.94Å; I549-M551 VanDerWaalsContact C-N 3.33Å; I549-M551 PolarHBondContact O-N 3.46Å; M551-G555 PolarHBondContact O-N 3.29Å; M551-L570 HydrophobicContact CE-CD1 3.55Å; M551-L570 HydrophobicContact SD-CD1 4.38Å
552	G	85.8	Confident	84.4	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-44.3	172.9	0	0	0	0	0	113	I548 I549 A550 A556	I548-G552 PolarHBondContact O-N 2.97Å; I549-G552 WeakPolarHBondContact O-CA 3.5Å; I549-G552 PolarHBondContact O-N 3.12Å; A550-G552 VanDerWaalsContact C-N 3.31Å; A550-G552 PolarHBondContact O-N 3.06Å; G552-A556 WeakPolarHBondContact O-CA 3.39Å; G552-A556 WeakPolarHBondContact O-CB 3.38Å; G552-A556 PolarHBondContact O-N 3.31Å
553	I	87.3	Confident	84.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-74.1	-42.9	-178.9	-65.2	172	0	0	0	112	A517 V521 S522 I549 A550 G555 A556 L590 L621 L622	A517-I553 HydrophobicContact CB-CB 4.24Å; A517-I553 HydrophobicContact CB-CG2 4.23Å; V521-I553 HydrophobicContact CG1-CG2 4.28Å; V521-I553 HydrophobicContact CG2-CG2 4.17Å; S522-I553 PolarHBondContact N-O 3.26Å; I549-I553 HydrophobicContact CG2-CD1 3.66Å; I549-I553 HydrophobicContact CG2-CG1 4.25Å; I549-I553 PolarHBondContact O-N 3.32Å; A550-I553 PolarHBondContact O-N 2.79Å; I553-G555 VanDerWaalsContact C-N 3.27Å; I553-G555 PolarHBondContact O-N 2.77Å; I553-A556 VanDerWaalsContact O-CB 3.29Å; I553-A556 WeakPolarHBondContact O-CB 3.01Å; I553-A556 PolarHBondContact O-N 3.2Å; I553-L590 HydrophobicContact CG1-CD1 4.24Å; I553-L621 HydrophobicContact CD1-CD2 4.03Å; I553-L622 HydrophobicContact CD1-CD2 3.78Å; I553-L622 HydrophobicContact CD1-CG 4.48Å
554	V	85.9	Confident	84.2	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-36.8	174.5	172.5	0	0	0	0	111.1	A517 S522 N523 L529 L532 A550 A556	A517-V554 HydrophobicContact CB-CG2 4.35Å; S522-V554 CarbonylContact C-O 3.54Å; S522-V554 WeakPolarHBondContact CA-O 3.02Å; S522-V554 PolarHBondContact N-O 3.28Å; N523-V554 PolarHBondContact N-O 2.66Å; N523-V554 WeakPolarHBondContact O-CG1 3.32Å; L529-V554 HydrophobicContact CD2-CB 4.48Å; L529-V554 HydrophobicContact CD2-CG1 3.86Å; L532-V554 HydrophobicContact CD1-CG2 4.09Å; A550-V554 WeakPolarHBondContact O-CB 3.5Å; A550-V554 VanDerWaalsContact O-CG2 3.32Å; A550-V554 WeakPolarHBondContact O-CG2 3.46Å; A550-V554 PolarHBondContact O-N 3.43Å; V554-A556 VanDerWaalsContact C-N 3.35Å
555	G	82.6	Confident	84.2	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.1	175.9	0	0	0	0	0	115.6	M551 I553 G557 T558	M551-G555 PolarHBondContact O-N 3.29Å; I553-G555 VanDerWaalsContact C-N 3.27Å; I553-G555 PolarHBondContact O-N 2.77Å; G555-G557 PolarHBondContact O-N 3.29Å; G555-T558 PolarHBondContact O-N 3.38Å; G555-T558 VanDerWaalsContact O-N 3.12Å; G555-T558 PolarHBondContact O-OG1 3.19Å
556	A	83.6	Confident	84.2	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	124.4	-163.8	0	0	0	0	0	112.3	S522 G552 I553 V554 T558 L590 L600	S522-A556 WeakPolarHBondContact CB-O 3.38Å; S522-A556 PolarHBondContact OG-O 2.94Å; G552-A556 WeakPolarHBondContact O-CA 3.39Å; G552-A556 WeakPolarHBondContact O-CB 3.38Å; G552-A556 PolarHBondContact O-N 3.31Å; I553-A556 VanDerWaalsContact O-CB 3.29Å; I553-A556 WeakPolarHBondContact O-CB 3.01Å; I553-A556 PolarHBondContact O-N 3.2Å; V554-A556 VanDerWaalsContact C-N 3.35Å; A556-T558 VanDerWaalsContact C-N 3.26Å; A556-T558 PolarHBondContact O-N 2.94Å; A556-L590 VanDerWaalsContact CA-O 3.3Å; A556-L590 WeakPolarHBondContact CA-O 3.43Å; A556-L600 HydrophobicContact CB-CB 4.33Å; A556-L600 HydrophobicContact CB-CD1 3.46Å; A556-L600 VanDerWaalsContact CB-CD1 3.46Å; A556-L600 HydrophobicContact CB-CG 3.79Å
557	G	78.2	Confident	84	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.01	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	19.3	177.8	0	0	0	0	0	115.7	G555 L590 L598 R650	G555-G557 PolarHBondContact O-N 3.29Å; G557-L590 PolarHBondContact N-O 3.05Å; G557-L598 WeakPolarHBondContact CA-O 3.28Å; G557-R650 PolarHBondContact O-NH1 3.29Å
558	T	77.1	Confident	83.8	Confident	34 Å²	34	22.9 Å²	22.9	21%	0.209	13%	0.129	C	C	.	.			trans	-110.3	-12.4	-177.6	67.6	0	0	0	0	113.8	S522 P524 G555 A556 N560	S522-T558 VanDerWaalsContact O-CG2 3.26Å; S522-T558 WeakPolarHBondContact O-CG2 3.28Å; P524-T558 HydrophobicContact CG-CG2 4.06Å; G555-T558 PolarHBondContact O-N 3.38Å; G555-T558 VanDerWaalsContact O-N 3.12Å; G555-T558 PolarHBondContact O-OG1 3.19Å; A556-T558 VanDerWaalsContact C-N 3.26Å; A556-T558 PolarHBondContact O-N 2.94Å; T558-N560 PolarHBondContact O-N 3.32Å
559	N	79.1	Confident	83.6	Confident	81 Å²	81	29.4 Å²	29.4	43%	0.433	16%	0.159	S	C	.	.			trans	50.8	29.5	178.4	-162.6	15.8	0	0	0	114	A561 T591 H592	N559-A561 PolarHBondContact O-N 2.9Å; N559-A561 VanDerWaalsContact O-N 3.13Å; N559-T591 WeakPolarHBondContact CA-O 3.4Å; N559-T591 PolarHBondContact N-O 3.44Å; N559-T591 VanDerWaalsContact N-O 3.13Å; N559-H592 PolarHBondContact OD1-CE1 2.85Å; N559-H592 PolarHBondContact OD1-ND1 3.4Å
560	N	82.9	Confident	83.4	Confident	42 Å²	42	29.3 Å²	29.3	23%	0.225	16%	0.159	C	C	.	.			trans	-69.2	111.8	-173.2	-177.1	-26.5	0	0	0	111.3	P524 T558 R562 L563 A564	P524-N560 HydrophobicContact CB-CB 4.42Å; P524-N560 HydrophobicContact CG-CB 4.42Å; T558-N560 PolarHBondContact O-N 3.32Å; N560-R562 VanDerWaalsContact C-N 3.25Å; N560-R562 PolarHBondContact O-N 3.22Å; N560-R562 VanDerWaalsContact O-N 3.16Å; N560-R562 WeakPolarHBondContact OD1-CB 3.32Å; N560-R562 PolarHBondContact OD1-N 3.17Å; N560-L563 HydrophobicContact CB-CB 4.13Å; N560-L563 WeakPolarHBondContact O-CB 3.12Å; N560-L563 PolarHBondContact O-N 3.02Å; N560-A564 PolarHBondContact O-N 3.22Å
561	A	82.2	Confident	83	Confident	79 Å²	79	29.5 Å²	29.5	65%	0.653	16%	0.161	S	C	*	.	H	α-helix	trans	-57.8	-29.8	-176.6	0	0	0	0	0	114.7	N559 A565	N559-A561 PolarHBondContact O-N 2.9Å; N559-A561 VanDerWaalsContact O-N 3.13Å; A561-A565 WeakPolarHBondContact O-CB 3.47Å; A561-A565 PolarHBondContact O-N 3.09Å
562	R	83.7	Confident	82.7	Confident	100 Å²	100	33.5 Å²	33.5	38%	0.377	19%	0.185	S	C	.	.	H	α-helix	trans	-70	-42.6	175.5	177.2	173.3	169.7	166.5	-3.5	111.1	D530 N560 A565 M566	D530-R562 IonicContact OD1-CZ 2.77Å; D530-R562 IonicContact OD1-NH2 2.96Å; D530-R562 PolarHBondContact OD1-NH2 3.29Å; D530-R562 IonicContact OD2-CZ 3.85Å; D530-R562 IonicContact OD2-NH2 3.52Å; D530-R562 PolarHBondContact OD2-NH2 3.3Å; N560-R562 VanDerWaalsContact C-N 3.25Å; N560-R562 PolarHBondContact O-N 3.22Å; N560-R562 VanDerWaalsContact O-N 3.16Å; N560-R562 WeakPolarHBondContact OD1-CB 3.32Å; N560-R562 PolarHBondContact OD1-N 3.17Å; R562-A565 WeakPolarHBondContact O-CB 3.25Å; R562-A565 PolarHBondContact O-N 3.24Å; R562-M566 HydrophobicContact CG-CE 4.36Å; R562-M566 HydrophobicContact CG-SD 4.17Å; R562-M566 WeakPolarHBondContact O-CG 3.48Å; R562-M566 PolarHBondContact O-N 3.38Å
563	L	83.7	Confident	82.4	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-43.3	178.5	-162.2	170.3	0	0	0	110.4	P524 L529 N560 A565 M566 L567 T591	P524-L563 HydrophobicContact CB-CD1 4.49Å; L529-L563 HydrophobicContact CD1-CB 4.32Å; L529-L563 HydrophobicContact CD1-CD1 3.98Å; L529-L563 HydrophobicContact CD1-CG 4.29Å; L529-L563 HydrophobicContact CD2-CD1 3.62Å; L529-L563 HydrophobicContact CD2-CG 4.1Å; L529-L563 HydrophobicContact CG-CD1 4.48Å; N560-L563 HydrophobicContact CB-CB 4.13Å; N560-L563 WeakPolarHBondContact O-CB 3.12Å; N560-L563 PolarHBondContact O-N 3.02Å; L563-A565 PolarHBondContact O-N 3.23Å; L563-M566 PolarHBondContact O-N 3.47Å; L563-M566 VanDerWaalsContact O-N 3.13Å; L563-L567 HydrophobicContact CD2-CD1 3.52Å; L563-L567 HydrophobicContact CD2-CG 3.89Å; L563-L567 PolarHBondContact O-N 2.67Å; L563-T591 HydrophobicContact CD1-CG2 4.46Å; L563-T591 HydrophobicContact CD2-CG2 3.45Å; L563-T591 VanDerWaalsContact CD2-CG2 3.45Å
564	A	81.9	Confident	81.8	Confident	16 Å²	16	41.1 Å²	41.1	13%	0.132	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-17.6	172.1	0	0	0	0	0	113.8	N560 R568	N560-A564 PolarHBondContact O-N 3.22Å; A564-R568 PolarHBondContact O-NE 3.1Å
565	A	85.2	Confident	80.9	Confident	32 Å²	32	43.4 Å²	43.4	26%	0.264	23%	0.231	S	C	.	.	H	α-helix	trans	-81.6	-44.1	167.9	0	0	0	0	0	112	A561 R562 L563 R568 Q569	A561-A565 WeakPolarHBondContact O-CB 3.47Å; A561-A565 PolarHBondContact O-N 3.09Å; R562-A565 WeakPolarHBondContact O-CB 3.25Å; R562-A565 PolarHBondContact O-N 3.24Å; L563-A565 PolarHBondContact O-N 3.23Å; A565-R568 PolarHBondContact O-N 2.73Å; A565-Q569 WeakPolarHBondContact O-CG 3.45Å; A565-Q569 PolarHBondContact O-N 3.13Å; A565-Q569 VanDerWaalsContact O-N 3.08Å
566	M	84.7	Confident	80.3	Confident	23 Å²	23	53.5 Å²	53.5	11%	0.113	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-46.7	175.8	-71.9	163	152.2	0	0	112	D530 R562 L563 R568 Q569 L570	D530-M566 WeakPolarHBondContact OD1-CE 3.13Å; R562-M566 HydrophobicContact CG-CE 4.36Å; R562-M566 HydrophobicContact CG-SD 4.17Å; R562-M566 WeakPolarHBondContact O-CG 3.48Å; R562-M566 PolarHBondContact O-N 3.38Å; L563-M566 PolarHBondContact O-N 3.47Å; L563-M566 VanDerWaalsContact O-N 3.13Å; M566-R568 VanDerWaalsContact C-N 3.33Å; M566-R568 PolarHBondContact O-N 3.32Å; M566-Q569 WeakPolarHBondContact O-CB 3.49Å; M566-Q569 PolarHBondContact O-N 3.01Å; M566-Q569 VanDerWaalsContact O-N 3.15Å; M566-L570 WeakPolarHBondContact O-CG 3.34Å; M566-L570 PolarHBondContact O-N 3.03Å
567	L	83.8	Confident	80	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-34.5	178.6	-71.4	175.2	0	0	0	113.1	L563 L570 A571 V584 A587 Q588 T591	L563-L567 HydrophobicContact CD2-CD1 3.52Å; L563-L567 HydrophobicContact CD2-CG 3.89Å; L563-L567 PolarHBondContact O-N 2.67Å; L567-L570 HydrophobicContact CD2-CD1 4.38Å; L567-L570 PolarHBondContact O-N 3.33Å; L567-A571 PolarHBondContact O-N 2.92Å; L567-V584 HydrophobicContact CB-CG1 4.34Å; L567-V584 HydrophobicContact CD2-CG1 4.43Å; L567-V584 WeakPolarHBondContact O-CG1 3.48Å; L567-A587 HydrophobicContact CD1-CB 3.96Å; L567-A587 HydrophobicContact CD2-CB 3.97Å; L567-Q588 HydrophobicContact CB-CG 3.81Å; L567-Q588 HydrophobicContact CD1-CG 3.96Å; L567-T591 HydrophobicContact CD1-CG2 3.93Å
568	R	83	Confident	79.9	Confident	63 Å²	63	59 Å²	59	24%	0.238	30%	0.3	C	S	.	.	H	α-helix	trans	-70.4	-35	173.7	-74.8	179.2	-64.4	128.7	2.7	112.4	A564 A565 M566 L570 A571 V572	A564-R568 PolarHBondContact O-NE 3.1Å; A565-R568 PolarHBondContact O-N 2.73Å; M566-R568 VanDerWaalsContact C-N 3.33Å; M566-R568 PolarHBondContact O-N 3.32Å; R568-L570 VanDerWaalsContact C-N 3.32Å; R568-A571 PolarHBondContact O-N 2.76Å; R568-V572 WeakPolarHBondContact O-CG2 3.41Å; R568-V572 PolarHBondContact O-N 3.49Å
569	Q	84.3	Confident	79.9	Confident	138 Å²	138	61 Å²	61	65%	0.645	31%	0.305	S	S	*	.	H	α-helix	trans	-64.1	-39.8	171.9	-70.3	173	-16.3	0	0	111.4	A565 M566 V572 Y573	A565-Q569 WeakPolarHBondContact O-CG 3.45Å; A565-Q569 PolarHBondContact O-N 3.13Å; A565-Q569 VanDerWaalsContact O-N 3.08Å; M566-Q569 WeakPolarHBondContact O-CB 3.49Å; M566-Q569 PolarHBondContact O-N 3.01Å; M566-Q569 VanDerWaalsContact O-N 3.15Å; Q569-V572 PolarHBondContact O-N 2.79Å; Q569-Y573 PolarHBondContact O-N 2.96Å
570	L	81.7	Confident	79.9	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-37.1	174.8	-69.9	166	0	0	0	112.8	S536 M551 M566 L567 R568 V572 Y573 H574 V584	S536-L570 WeakPolarHBondContact OG-CD2 3.39Å; M551-L570 HydrophobicContact CE-CD1 3.55Å; M551-L570 HydrophobicContact SD-CD1 4.38Å; M566-L570 WeakPolarHBondContact O-CG 3.34Å; M566-L570 PolarHBondContact O-N 3.03Å; L567-L570 HydrophobicContact CD2-CD1 4.38Å; L567-L570 PolarHBondContact O-N 3.33Å; R568-L570 VanDerWaalsContact C-N 3.32Å; L570-V572 VanDerWaalsContact C-N 3.32Å; L570-V572 PolarHBondContact O-N 3.47Å; L570-Y573 PolarHBondContact O-N 3.48Å; L570-H574 WeakPolarHBondContact O-CB 3.46Å; L570-H574 PolarHBondContact O-N 3.35Å; L570-V584 HydrophobicContact CB-CG2 4.22Å
571	A	78.9	Confident	79.7	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-41.9	174.1	0	0	0	0	0	112	E97 L567 R568 S575 V584	E97-A571 WeakPolarHBondContact OE1-CB 3.31Å; L567-A571 PolarHBondContact O-N 2.92Å; R568-A571 PolarHBondContact O-N 2.76Å; A571-S575 PolarHBondContact O-N 3.29Å; A571-V584 HydrophobicContact CB-CG1 3.82Å
572	V	80.9	Confident	79.7	Confident	84 Å²	84	53.1 Å²	53.1	51%	0.509	25%	0.25	S	S	.	.	H	α-helix	trans	-67.7	-42.7	175.5	174.3	0	0	0	0	111.6	R568 Q569 L570 S575	R568-V572 WeakPolarHBondContact O-CG2 3.41Å; R568-V572 PolarHBondContact O-N 3.49Å; Q569-V572 PolarHBondContact O-N 2.79Å; L570-V572 VanDerWaalsContact C-N 3.32Å; L570-V572 PolarHBondContact O-N 3.47Å; V572-S575 VanDerWaalsContact O-CB 3.31Å; V572-S575 WeakPolarHBondContact O-CB 3.5Å; V572-S575 PolarHBondContact O-OG 3.34Å
573	Y	79.6	Confident	79.6	Confident	144 Å²	144	48.7 Å²	48.7	57%	0.565	23%	0.234	S	C	*	.	H	α-helix	trans	-64.5	-50.1	179	-175.5	-98	0	0	0	112.2	H537 Q569 L570 S575	H537-Y573 AromaticContact ND1-CD1 3.94Å; H537-Y573 AromaticContact ND1-CE1 3.94Å; Q569-Y573 PolarHBondContact O-N 2.96Å; L570-Y573 PolarHBondContact O-N 3.48Å; Y573-S575 PolarHBondContact O-N 3.14Å
574	H	75.3	Confident	79.6	Confident	17 Å²	17	48.6 Å²	48.6	8%	0.079	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	13.6	-177.8	-72.7	-64.8	0	0	0	114.1	S536 S544 L570 R576 D577 N580	S536-H574 VanDerWaalsContact C-NE2 3.3Å; S536-H574 PolarHBondContact O-NE2 3.4Å; S544-H574 PolarHBondContact OG-CE1 3.14Å; S544-H574 PolarHBondContact OG-NE2 2.7Å; L570-H574 WeakPolarHBondContact O-CB 3.46Å; L570-H574 PolarHBondContact O-N 3.35Å; H574-R576 PolarHBondContact O-N 2.97Å; H574-D577 PolarHBondContact O-N 2.83Å; H574-N580 HydrophobicContact CB-CB 3.56Å; H574-N580 PolarHBondContact ND1-ND2 2.89Å
575	S	66.7	Low	79.7	Confident	47 Å²	47	49.9 Å²	49.9	33%	0.329	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-5.5	-179.4	56.7	0	0	0	0	115.6	A571 V572 Y573	A571-S575 PolarHBondContact O-N 3.29Å; V572-S575 VanDerWaalsContact O-CB 3.31Å; V572-S575 WeakPolarHBondContact O-CB 3.5Å; V572-S575 PolarHBondContact O-OG 3.34Å; Y573-S575 PolarHBondContact O-N 3.14Å
576	R	70.7	Confident	79.6	Confident	213 Å²	213	48.9 Å²	48.9	80%	0.804	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-27.2	173.5	-64.9	-178.1	177.2	-174.2	-1.7	113.6	H574	H574-R576 PolarHBondContact O-N 2.97Å
577	D	77.2	Confident	79.6	Confident	74 Å²	74	47.8 Å²	47.8	40%	0.396	22%	0.22	S	C	.	.			trans	-109	114	-170.3	-63.8	-30.8	0	0	0	110.7	H574 Y579 N580 L581	H574-D577 PolarHBondContact O-N 2.83Å; D577-Y579 PolarHBondContact O-N 2.86Å; D577-Y579 VanDerWaalsContact O-N 3.13Å; D577-N580 HydrophobicContact CB-CB 4.06Å; D577-N580 PolarHBondContact O-N 3.21Å; D577-N580 PolarHBondContact OD2-ND2 3.03Å; D577-L581 WeakPolarHBondContact O-CB 3.36Å; D577-L581 PolarHBondContact O-N 3.49Å
578	P	74.5	Confident	79.6	Confident	41 Å²	41	48 Å²	48	27%	0.266	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-21.9	-177.5	26.5	-34.5	0	0	0	113.1	F582	P578-F582 WeakPolarHBondContact O-CB 3.39Å; P578-F582 PolarHBondContact O-N 2.88Å
579	Y	77.7	Confident	79.6	Confident	78 Å²	78	45 Å²	45	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-75.9	-55.4	177.6	-59.4	-62.5	0	0	0	112.3	R112 D577 L581 F582 L583 M633	R112-Y579 PolarHBondContact NH1-OH 3.02Å; R112-Y579 PolarHBondContact NH2-OH 2.94Å; R112-Y579 VanDerWaalsContact NH2-OH 3.08Å; D577-Y579 PolarHBondContact O-N 2.86Å; D577-Y579 VanDerWaalsContact O-N 3.13Å; Y579-L581 PolarHBondContact O-N 3.12Å; Y579-F582 PolarHBondContact O-N 2.95Å; Y579-L583 WeakPolarHBondContact O-CG 3.47Å; Y579-L583 PolarHBondContact O-N 3.45Å; Y579-L583 VanDerWaalsContact O-N 3.08Å; Y579-M633 HydrophobicContact CD1-CG 3.34Å; Y579-M633 HydrophobicContact CD1-SD 4.16Å; Y579-M633 HydrophobicContact CD2-CG 4.33Å; Y579-M633 HydrophobicContact CD2-SD 4.13Å; Y579-M633 HydrophobicContact CE1-CB 4.36Å; Y579-M633 HydrophobicContact CE1-CG 3.16Å; Y579-M633 HydrophobicContact CE1-SD 4.14Å; Y579-M633 HydrophobicContact CE2-CG 4.21Å; Y579-M633 HydrophobicContact CE2-SD 4.13Å; Y579-M633 HydrophobicContact CG-CG 3.92Å; Y579-M633 HydrophobicContact CG-SD 4.13Å
580	N	79.5	Confident	79.6	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-54.5	-43.2	171.7	-75	-61.7	0	0	0	110.5	S544 H545 H574 D577 F582 L583 V584	S544-N580 PolarHBondContact OG-OD1 3.22Å; H545-N580 PolarHBondContact CD2-OD1 3.02Å; H574-N580 HydrophobicContact CB-CB 3.56Å; H574-N580 PolarHBondContact ND1-ND2 2.89Å; D577-N580 HydrophobicContact CB-CB 4.06Å; D577-N580 PolarHBondContact O-N 3.21Å; D577-N580 PolarHBondContact OD2-ND2 3.03Å; N580-F582 PolarHBondContact O-N 3.36Å; N580-L583 PolarHBondContact O-N 3.05Å; N580-V584 WeakPolarHBondContact O-CG2 3.36Å; N580-V584 PolarHBondContact O-N 3.32Å
581	L	79.7	Confident	79.6	Confident	16 Å²	16	38.6 Å²	38.6	8%	0.084	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-40.8	179.3	-173.9	63.2	0	0	0	113.5	L108 D577 Y579 L583 R585	L108-L581 HydrophobicContact CD2-CD2 4.21Å; D577-L581 WeakPolarHBondContact O-CB 3.36Å; D577-L581 PolarHBondContact O-N 3.49Å; Y579-L581 PolarHBondContact O-N 3.12Å; L581-L583 VanDerWaalsContact C-N 3.34Å; L581-R585 VanDerWaalsContact O-CG 3.26Å; L581-R585 WeakPolarHBondContact O-CG 3.31Å; L581-R585 PolarHBondContact O-N 3.21Å
582	F	80.2	Confident	79.8	Confident	16 Å²	16	39.7 Å²	39.7	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-45.5	173.1	172	-92.2	0	0	0	111.1	L115 A116 Y119 P578 Y579 N580 R585 L586	L115-F582 HydrophobicContact CB-CE2 4.19Å; A116-F582 HydrophobicContact CB-CD2 3.75Å; A116-F582 HydrophobicContact CB-CE2 4.31Å; Y119-F582 AromaticContact CD2-CE2 3.91Å; Y119-F582 HydrophobicContact CD2-CE2 3.91Å; Y119-F582 AromaticContact CD2-CZ 3.9Å; Y119-F582 HydrophobicContact CD2-CZ 3.9Å; Y119-F582 HydrophobicContact CE2-CE2 4.15Å; Y119-F582 AromaticContact CE2-CZ 3.92Å; Y119-F582 HydrophobicContact CE2-CZ 3.92Å; P578-F582 WeakPolarHBondContact O-CB 3.39Å; P578-F582 PolarHBondContact O-N 2.88Å; Y579-F582 PolarHBondContact O-N 2.95Å; N580-F582 PolarHBondContact O-N 3.36Å; F582-R585 PolarHBondContact O-N 2.88Å; F582-L586 HydrophobicContact CE1-CD1 4.04Å; F582-L586 HydrophobicContact CZ-CD1 4.32Å; F582-L586 PolarHBondContact O-N 3.4Å
583	L	82.6	Confident	79.7	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-70.5	-38.6	-177.6	-65	172.6	0	0	0	113.2	H545 I548 I549 Y579 N580 L581 R585 L586 A587 M628	H545-L583 HydrophobicContact CB-CD1 3.56Å; H545-L583 VanDerWaalsContact CD2-CD1 3.46Å; H545-L583 WeakPolarHBondContact CD2-CD1 3.43Å; I548-L583 VanDerWaalsContact CG2-C 3.47Å; I548-L583 HydrophobicContact CG2-CB 3.9Å; I549-L583 HydrophobicContact CD1-CD2 3.93Å; I549-L583 HydrophobicContact CG1-CD2 4.05Å; Y579-L583 WeakPolarHBondContact O-CG 3.47Å; Y579-L583 PolarHBondContact O-N 3.45Å; Y579-L583 VanDerWaalsContact O-N 3.08Å; N580-L583 PolarHBondContact O-N 3.05Å; L581-L583 VanDerWaalsContact C-N 3.34Å; L583-R585 VanDerWaalsContact C-N 3.29Å; L583-R585 PolarHBondContact O-N 2.83Å; L583-L586 PolarHBondContact O-N 3.42Å; L583-A587 WeakPolarHBondContact O-CB 3.48Å; L583-A587 PolarHBondContact O-N 2.81Å; L583-M628 HydrophobicContact CD1-CE 3.51Å; L583-M628 HydrophobicContact CD1-SD 4.41Å; L583-M628 HydrophobicContact CD2-CE 3.59Å; L583-M628 HydrophobicContact CG-CE 4.2Å
584	V	84.7	Confident	79.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-39.8	174.6	172.3	0	0	0	0	110.5	I548 L567 L570 A571 N580 A587 Q588	I548-V584 HydrophobicContact CD1-CG2 3.9Å; I548-V584 HydrophobicContact CG1-CG2 4.16Å; I548-V584 HydrophobicContact CG2-CB 4.27Å; I548-V584 HydrophobicContact CG2-CG2 3.7Å; L567-V584 HydrophobicContact CB-CG1 4.34Å; L567-V584 HydrophobicContact CD2-CG1 4.43Å; L567-V584 WeakPolarHBondContact O-CG1 3.48Å; L570-V584 HydrophobicContact CB-CG2 4.22Å; A571-V584 HydrophobicContact CB-CG1 3.82Å; N580-V584 WeakPolarHBondContact O-CG2 3.36Å; N580-V584 PolarHBondContact O-N 3.32Å; V584-A587 PolarHBondContact O-N 2.84Å; V584-Q588 VanDerWaalsContact O-CG 3.29Å; V584-Q588 WeakPolarHBondContact O-CG 3.39Å; V584-Q588 PolarHBondContact O-N 3.27Å
585	R	82.3	Confident	79.4	Confident	44 Å²	44	28.5 Å²	28.5	17%	0.166	13%	0.131	C	C	.	.	H	α-helix	trans	-67.7	-42.5	175.8	-70.8	173.8	177.7	-158.7	-2.2	112.2	Y92 A113 A116 V120 L581 F582 L583 A587 Q588 G589	Y92-R585 HydrophobicContact CD1-CG 4.38Å; Y92-R585 HydrophobicContact CE1-CB 3.95Å; Y92-R585 HydrophobicContact CE1-CG 3.64Å; A113-R585 PolarHBondContact O-NH1 2.93Å; A116-R585 HydrophobicContact CB-CB 3.8Å; A116-R585 HydrophobicContact CB-CG 4.4Å; V120-R585 HydrophobicContact CG2-CB 4.44Å; V120-R585 WeakPolarHBondContact CG2-O 3.23Å; L581-R585 VanDerWaalsContact O-CG 3.26Å; L581-R585 WeakPolarHBondContact O-CG 3.31Å; L581-R585 PolarHBondContact O-N 3.21Å; F582-R585 PolarHBondContact O-N 2.88Å; L583-R585 VanDerWaalsContact C-N 3.29Å; L583-R585 PolarHBondContact O-N 2.83Å; R585-A587 VanDerWaalsContact C-N 3.32Å; R585-A587 PolarHBondContact O-N 2.68Å; R585-Q588 WeakPolarHBondContact O-CB 3.45Å; R585-Q588 PolarHBondContact O-N 2.71Å; R585-G589 PolarHBondContact O-N 3.48Å
586	L	83	Confident	79.9	Confident	10 Å²	10	26.9 Å²	26.9	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-44.9	172.8	-176.2	157.1	0	0	0	111	F582 L583 Q588 G589 L590 I640	F582-L586 HydrophobicContact CE1-CD1 4.04Å; F582-L586 HydrophobicContact CZ-CD1 4.32Å; F582-L586 PolarHBondContact O-N 3.4Å; L583-L586 PolarHBondContact O-N 3.42Å; L586-Q588 PolarHBondContact O-N 3.21Å; L586-G589 PolarHBondContact O-N 3.5Å; L586-G589 VanDerWaalsContact O-N 3.17Å; L586-L590 HydrophobicContact CD2-CD1 3.72Å; L586-L590 HydrophobicContact CD2-CG 4.16Å; L586-L590 PolarHBondContact O-N 3.31Å; L586-I640 HydrophobicContact CD1-CD1 3.64Å; L586-I640 HydrophobicContact CD1-CG1 4.49Å
587	A	85.3	Confident	80.1	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-40.5	175.2	0	0	0	0	0	112.5	I548 L567 L583 V584 R585 G589 L590 T591	I548-A587 HydrophobicContact CG2-CB 4.23Å; I548-A587 WeakPolarHBondContact O-CB 3.26Å; L567-A587 HydrophobicContact CD1-CB 3.96Å; L567-A587 HydrophobicContact CD2-CB 3.97Å; L583-A587 WeakPolarHBondContact O-CB 3.48Å; L583-A587 PolarHBondContact O-N 2.81Å; V584-A587 PolarHBondContact O-N 2.84Å; R585-A587 VanDerWaalsContact C-N 3.32Å; R585-A587 PolarHBondContact O-N 2.68Å; A587-G589 VanDerWaalsContact C-N 3.34Å; A587-G589 PolarHBondContact O-N 2.9Å; A587-L590 PolarHBondContact O-N 3.2Å; A587-T591 WeakPolarHBondContact O-CG2 3.44Å; A587-T591 PolarHBondContact O-N 3.46Å; A587-T591 PolarHBondContact O-OG1 3.26Å
588	Q	84.2	Confident	80.4	Confident	5 Å²	5	13.2 Å²	13.2	2%	0.023	7%	0.065	C	C	.	.	H	α-helix	trans	-60	-43.9	172.5	-71.6	165.1	-15.9	0	0	111	I91 L567 V584 R585 L586 T591 H592	I91-Q588 HydrophobicContact CG2-CB 4.21Å; L567-Q588 HydrophobicContact CB-CG 3.81Å; L567-Q588 HydrophobicContact CD1-CG 3.96Å; V584-Q588 VanDerWaalsContact O-CG 3.29Å; V584-Q588 WeakPolarHBondContact O-CG 3.39Å; V584-Q588 PolarHBondContact O-N 3.27Å; R585-Q588 WeakPolarHBondContact O-CB 3.45Å; R585-Q588 PolarHBondContact O-N 2.71Å; L586-Q588 PolarHBondContact O-N 3.21Å; Q588-T591 PolarHBondContact O-N 3.39Å; Q588-T591 PolarHBondContact O-OG1 2.96Å; Q588-H592 PolarHBondContact O-CD2 3.08Å; Q588-H592 PolarHBondContact O-N 2.91Å
589	G	82.6	Confident	80.7	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.6	-49.5	173.7	0	0	0	0	0	113.1	R585 L586 A587 T591 H592 L593	R585-G589 PolarHBondContact O-N 3.48Å; L586-G589 PolarHBondContact O-N 3.5Å; L586-G589 VanDerWaalsContact O-N 3.17Å; A587-G589 VanDerWaalsContact C-N 3.34Å; A587-G589 PolarHBondContact O-N 2.9Å; G589-T591 VanDerWaalsContact C-N 3.32Å; G589-T591 PolarHBondContact O-N 3.36Å; G589-H592 CarbonylContact O-C 3.55Å; G589-H592 PolarHBondContact O-N 3.49Å; G589-L593 PolarHBondContact O-N 3.19Å; G589-L593 VanDerWaalsContact O-N 3.1Å
590	L	83.5	Confident	80.8	Confident	3 Å²	3	7.9 Å²	7.9	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-59.8	-38.9	176.1	-68.1	176	0	0	0	112.3	L123 I553 A556 G557 L586 A587 H592 L593 I643	L123-L590 HydrophobicContact CD1-CD2 3.92Å; L123-L590 HydrophobicContact CD1-CG 4.21Å; L123-L590 HydrophobicContact CD2-CD2 4.12Å; I553-L590 HydrophobicContact CG1-CD1 4.24Å; A556-L590 VanDerWaalsContact CA-O 3.3Å; A556-L590 WeakPolarHBondContact CA-O 3.43Å; G557-L590 PolarHBondContact N-O 3.05Å; L586-L590 HydrophobicContact CD2-CD1 3.72Å; L586-L590 HydrophobicContact CD2-CG 4.16Å; L586-L590 PolarHBondContact O-N 3.31Å; A587-L590 PolarHBondContact O-N 3.2Å; L590-H592 PolarHBondContact O-N 3.32Å; L590-L593 HydrophobicContact CD2-CD1 4.02Å; L590-L593 VanDerWaalsContact O-CB 3.23Å; L590-L593 WeakPolarHBondContact O-CB 3.4Å; L590-L593 PolarHBondContact O-N 3.26Å; L590-I643 HydrophobicContact CD2-CD1 3.95Å
591	T	83.3	Confident	80.4	Confident	3 Å²	3	8.6 Å²	8.6	2%	0.018	5%	0.045	C	C	.	.	H	α-helix	trans	-68.8	-21.8	-179.3	62.5	0	0	0	0	113.8	N559 L563 L567 A587 Q588 G589	N559-T591 WeakPolarHBondContact CA-O 3.4Å; N559-T591 PolarHBondContact N-O 3.44Å; N559-T591 VanDerWaalsContact N-O 3.13Å; L563-T591 HydrophobicContact CD1-CG2 4.46Å; L563-T591 HydrophobicContact CD2-CG2 3.45Å; L563-T591 VanDerWaalsContact CD2-CG2 3.45Å; L567-T591 HydrophobicContact CD1-CG2 3.93Å; A587-T591 WeakPolarHBondContact O-CG2 3.44Å; A587-T591 PolarHBondContact O-N 3.46Å; A587-T591 PolarHBondContact O-OG1 3.26Å; Q588-T591 PolarHBondContact O-N 3.39Å; Q588-T591 PolarHBondContact O-OG1 2.96Å; G589-T591 VanDerWaalsContact C-N 3.32Å; G589-T591 PolarHBondContact O-N 3.36Å
592	H	81.5	Confident	79.9	Confident	29 Å²	29	7.9 Å²	7.9	13%	0.134	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	22	175.5	-63.1	-65.8	0	0	0	112.8	I91 V124 N559 Q588 G589 L590 G594 K595	I91-H592 HydrophobicContact CD1-CB 3.93Å; I91-H592 VanDerWaalsContact CG2-CD2 3.5Å; I91-H592 WeakPolarHBondContact CG2-CD2 3.12Å; V124-H592 HydrophobicContact CG2-CB 4.19Å; N559-H592 PolarHBondContact OD1-CE1 2.85Å; N559-H592 PolarHBondContact OD1-ND1 3.4Å; Q588-H592 PolarHBondContact O-CD2 3.08Å; Q588-H592 PolarHBondContact O-N 2.91Å; G589-H592 CarbonylContact O-C 3.55Å; G589-H592 PolarHBondContact O-N 3.49Å; L590-H592 PolarHBondContact O-N 3.32Å; H592-G594 PolarHBondContact O-N 3.23Å; H592-K595 VanDerWaalsContact O-CA 3.28Å; H592-K595 WeakPolarHBondContact O-CA 3.42Å; H592-K595 PolarHBondContact O-N 2.88Å
593	L	80.3	Confident	79.4	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-57.1	125.4	-178.8	-158.3	166.3	0	0	0	110.6	L123 C126 G589 L590 K595 G596 L598 L600 I647	L123-L593 HydrophobicContact CD2-CD1 4.06Å; L123-L593 HydrophobicContact CD2-CG 4.18Å; L123-L593 WeakPolarHBondContact O-CA 3.43Å; C126-L593 HydrophobicContact CB-CD2 4.48Å; G589-L593 PolarHBondContact O-N 3.19Å; G589-L593 VanDerWaalsContact O-N 3.1Å; L590-L593 HydrophobicContact CD2-CD1 4.02Å; L590-L593 VanDerWaalsContact O-CB 3.23Å; L590-L593 WeakPolarHBondContact O-CB 3.4Å; L590-L593 PolarHBondContact O-N 3.26Å; L593-K595 PolarHBondContact O-N 3.35Å; L593-G596 PolarHBondContact O-N 3.19Å; L593-L598 HydrophobicContact CD2-CB 3.51Å; L593-L598 HydrophobicContact CD2-CD1 3.64Å; L593-L598 HydrophobicContact CD2-CG 4.2Å; L593-L600 HydrophobicContact CD1-CD2 4.2Å; L593-L600 HydrophobicContact CD1-CG 4.46Å; L593-I647 HydrophobicContact CD1-CD1 4.44Å; L593-I647 HydrophobicContact CD1-CG1 4.37Å; L593-I647 HydrophobicContact CD2-CD1 4.41Å; L593-I647 HydrophobicContact CD2-CG1 4.45Å; L593-I647 HydrophobicContact CD2-CG2 3.87Å
594	G	74.2	Confident	78.5	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	58.1	28.2	-172.5	0	0	0	0	0	113.7	L123 H592 G596 T597	L123-G594 PolarHBondContact O-N 3.06Å; H592-G594 PolarHBondContact O-N 3.23Å; G594-G596 PolarHBondContact O-N 2.99Å; G594-T597 PolarHBondContact O-N 3.46Å; G594-T597 PolarHBondContact O-OG1 3.36Å
595	K	74.2	Confident	77.1	Confident	10 Å²	10	10.1 Å²	10.1	4%	0.043	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	58.5	9	-171.8	-54	163.6	-167.3	175.4	0	114	I82 D84 K86 V124 N125 F128 H592 L593	I82-K595 HydrophobicContact CG2-CB 3.98Å; I82-K595 HydrophobicContact CG2-CD 3.45Å; I82-K595 VanDerWaalsContact CG2-CD 3.45Å; I82-K595 HydrophobicContact CG2-CG 4.29Å; I82-K595 PolarHBondContact O-NZ 3.37Å; D84-K595 PolarHBondContact O-NZ 3.43Å; K86-K595 HydrophobicContact CD-CD 4.33Å; K86-K595 HydrophobicContact CD-CG 4.16Å; V124-K595 HydrophobicContact CG1-CG 4.24Å; V124-K595 WeakPolarHBondContact O-CG 3.24Å; V124-K595 PolarHBondContact O-N 2.76Å; N125-K595 WeakPolarHBondContact OD1-CE 3.3Å; N125-K595 PolarHBondContact OD1-NZ 3.48Å; F128-K595 HydrophobicContact CD2-CD 4.37Å; F128-K595 HydrophobicContact CE2-CD 4.05Å; F128-K595 HydrophobicContact CE2-CG 4.39Å; F128-K595 HydrophobicContact CZ-CD 4.45Å; H592-K595 VanDerWaalsContact O-CA 3.28Å; H592-K595 WeakPolarHBondContact O-CA 3.42Å; H592-K595 PolarHBondContact O-N 2.88Å; L593-K595 PolarHBondContact O-N 3.35Å
596	G	75.8	Confident	75.9	Confident	12 Å²	12	11.5 Å²	11.5	12%	0.124	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	114	-2.5	-175	0	0	0	0	0	115.8	L593 G594 R650	L593-G596 PolarHBondContact O-N 3.19Å; G594-G596 PolarHBondContact O-N 2.99Å; G596-R650 WeakPolarHBondContact O-CD 3.39Å
597	T	75.6	Confident	74.9	Confident	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.9	-179	64.8	0	0	0	0	114.4	F73 L76 L80 I82 F128 G594 R650 L695	F73-T597 VanDerWaalsContact CE2-OG1 3.3Å; F73-T597 WeakPolarHBondContact CE2-OG1 3.36Å; F73-T597 VanDerWaalsContact CZ-OG1 3.24Å; F73-T597 WeakPolarHBondContact CZ-OG1 3.41Å; L76-T597 HydrophobicContact CD2-CG2 3.94Å; L80-T597 HydrophobicContact CD1-CG2 4.35Å; I82-T597 HydrophobicContact CD1-CG2 3.99Å; F128-T597 HydrophobicContact CZ-CG2 4.31Å; G594-T597 PolarHBondContact O-N 3.46Å; G594-T597 PolarHBondContact O-OG1 3.36Å; T597-R650 WeakPolarHBondContact O-CB 3.05Å; T597-R650 WeakPolarHBondContact O-CG 3.49Å; T597-R650 PolarHBondContact O-N 2.99Å; T597-L695 HydrophobicContact CG2-CD1 4.14Å; T597-L695 HydrophobicContact CG2-CD2 4.16Å
598	L	82.6	Confident	73.9	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	160.7	-174.2	-63.4	176.2	0	0	0	110.9	F73 C126 W165 G557 L593 I647 Q648 P649	F73-L598 HydrophobicContact CD2-CD2 4.38Å; F73-L598 HydrophobicContact CE2-CD2 3.53Å; F73-L598 HydrophobicContact CE2-CG 4.07Å; F73-L598 HydrophobicContact CZ-CD1 4.27Å; F73-L598 HydrophobicContact CZ-CD2 3.97Å; F73-L598 HydrophobicContact CZ-CG 4.1Å; C126-L598 HydrophobicContact CB-CD1 3.47Å; C126-L598 VanDerWaalsContact CB-CD1 3.47Å; W165-L598 HydrophobicContact CH2-CD2 3.75Å; W165-L598 HydrophobicContact CZ3-CD2 4.21Å; G557-L598 WeakPolarHBondContact CA-O 3.28Å; L593-L598 HydrophobicContact CD2-CB 3.51Å; L593-L598 HydrophobicContact CD2-CD1 3.64Å; L593-L598 HydrophobicContact CD2-CG 4.2Å; L598-I647 HydrophobicContact CB-CG2 4.22Å; L598-I647 HydrophobicContact CD1-CG2 3.81Å; L598-I647 HydrophobicContact CD2-CG2 4.37Å; L598-I647 HydrophobicContact CG-CG2 4.35Å; L598-Q648 CarbonylContact C-O 3.57Å; L598-Q648 WeakPolarHBondContact CA-O 3.43Å; L598-P649 HydrophobicContact CD2-CB 3.92Å
599	T	81.4	Confident	73.1	Confident	7 Å²	7	17 Å²	17	4%	0.043	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.7	-177.2	21.4	0	0	0	0	111.4	A646 I647 Q648 R650	T599-A646 VanDerWaalsContact O-O 3.08Å; T599-I647 WeakPolarHBondContact O-CA 3.27Å; T599-Q648 PolarHBondContact N-O 3.22Å; T599-Q648 PolarHBondContact O-N 2.95Å; T599-Q648 PolarHBondContact OG1-O 3.1Å; T599-R650 HydrophobicContact CG2-CG 3.63Å; T599-R650 VanDerWaalsContact CG2-CZ 3.41Å; T599-R650 WeakPolarHBondContact OG1-CG 3.39Å
600	L	79.5	Confident	72.5	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.			trans	-107.3	-6.6	172.8	-64.4	-177	0	0	0	113.8	V521 S522 A556 L593 P602 L618 I643 A646 I647	V521-L600 HydrophobicContact CG1-CB 3.63Å; S522-L600 PolarHBondContact OG-N 3.48Å; A556-L600 HydrophobicContact CB-CB 4.33Å; A556-L600 HydrophobicContact CB-CD1 3.46Å; A556-L600 VanDerWaalsContact CB-CD1 3.46Å; A556-L600 HydrophobicContact CB-CG 3.79Å; L593-L600 HydrophobicContact CD1-CD2 4.2Å; L593-L600 HydrophobicContact CD1-CG 4.46Å; L600-P602 VanDerWaalsContact O-CD 3.32Å; L600-P602 WeakPolarHBondContact O-CD 3.37Å; L600-L618 HydrophobicContact CB-CD2 4.38Å; L600-L618 HydrophobicContact CD1-CD2 4.28Å; L600-L618 WeakPolarHBondContact O-CD1 3.09Å; L600-I643 HydrophobicContact CD1-CD1 3.65Å; L600-I643 HydrophobicContact CD1-CG1 4.26Å; L600-I643 HydrophobicContact CD2-CD1 4.08Å; L600-I643 HydrophobicContact CD2-CG1 3.98Å; L600-A646 WeakPolarHBondContact CA-O 3.29Å; L600-A646 HydrophobicContact CD2-CB 4.16Å; L600-I647 HydrophobicContact CD2-CG1 3.79Å
601	S	72.7	Confident	72	Confident	18 Å²	18	19.5 Å²	19.5	13%	0.126	10%	0.098	C	C	.	.			trans	-61.3	116.4	-173.4	47.5	0	0	0	0	111.9	W603 H604	S601-W603 VanDerWaalsContact C-N 3.27Å; S601-W603 PolarHBondContact O-N 3.38Å; S601-H604 PolarHBondContact O-CE1 3.17Å
602	P	69.2	Low	71.6	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.105	C	C	.	.			trans	-74	-21.6	-178.9	29.6	-34.3	0	0	0	112.4	M484 L600 H604 R611 L615 L618	M484-P602 HydrophobicContact CE-CG 3.9Å; L600-P602 VanDerWaalsContact O-CD 3.32Å; L600-P602 WeakPolarHBondContact O-CD 3.37Å; P602-H604 PolarHBondContact O-ND1 2.93Å; P602-R611 PolarHBondContact O-N 3.37Å; P602-L615 HydrophobicContact CB-CB 4.2Å; P602-L618 HydrophobicContact CG-CD1 4.26Å
603	W	68.4	Low	71.6	Confident	39 Å²	39	19.6 Å²	19.6	15%	0.148	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.6	-178.6	-67.6	96.3	0	0	0	112.7	M484 S601 R607 L609 C610	M484-W603 HydrophobicContact CB-CZ2 3.89Å; M484-W603 PolarHBondContact SD-NE1 3.22Å; M484-W603 VanDerWaalsContact SD-NE1 3.43Å; S601-W603 VanDerWaalsContact C-N 3.27Å; S601-W603 PolarHBondContact O-N 3.38Å; W603-R607 WeakPolarHBondContact CZ3-O 3.15Å; W603-L609 CarbonylContact C-O 3.59Å; W603-L609 WeakPolarHBondContact CA-O 3.04Å; W603-C610 HydrophobicContact CD2-CB 4.12Å; W603-C610 HydrophobicContact CE3-CB 3.81Å; W603-C610 HydrophobicContact CH2-CB 3.65Å; W603-C610 HydrophobicContact CZ2-CB 3.92Å; W603-C610 HydrophobicContact CZ3-CB 3.58Å
604	H	64.3	Low	71.5	Confident	21 Å²	21	19.6 Å²	19.6	10%	0.097	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.8	-174	-75.1	78.5	0	0	0	111	R44 S601 P602 L609 R611 Q648	R44-H604 PolarHBondContact NH2-CD2 3.44Å; R44-H604 PolarHBondContact NH2-NE2 3Å; S601-H604 PolarHBondContact O-CE1 3.17Å; P602-H604 PolarHBondContact O-ND1 2.93Å; H604-L609 HydrophobicContact CB-CB 4.36Å; H604-L609 PolarHBondContact N-O 3.1Å; H604-L609 WeakPolarHBondContact O-CB 3.36Å; H604-L609 PolarHBondContact O-N 3.37Å; H604-L609 VanDerWaalsContact O-N 3.13Å; H604-R611 PolarHBondContact CD2-NH1 3.49Å; H604-R611 PolarHBondContact CE1-NH1 3.48Å; H604-R611 PolarHBondContact ND1-NH1 2.96Å; H604-R611 PolarHBondContact NE2-NH1 3.39Å; H604-Q648 PolarHBondContact CE1-OE1 3.34Å; H604-Q648 PolarHBondContact NE2-OE1 3.38Å
605	S	54.3	Low	71.8	Confident	10 Å²	10	19.7 Å²	19.7	7%	0.07	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	87.4	-178.2	65.1	0	0	0	0	114.9	R2 R607 F608 E718	R2-S605 PolarHBondContact NH2-OG 2.96Å; S605-R607 PolarHBondContact O-N 3.03Å; S605-F608 WeakPolarHBondContact O-CB 3.48Å; S605-F608 PolarHBondContact O-N 2.97Å; S605-E718 WeakPolarHBondContact CA-OE1 3.36Å; S605-E718 PolarHBondContact N-OE1 2.96Å; S605-E718 PolarHBondContact N-OE2 2.91Å
606	D	56.9	Low	72.2	Confident	72 Å²	72	19.2 Å²	19.2	39%	0.385	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	36.5	175.8	-58.3	-59.8	0	0	0	113.9	F608 R701 P716	D606-F608 PolarHBondContact O-N 2.86Å; D606-F608 VanDerWaalsContact O-N 3.09Å; D606-R701 IonicContact OD1-CZ 2.91Å; D606-R701 IonicContact OD1-NE 2.85Å; D606-R701 PolarHBondContact OD1-NE 3.02Å; D606-R701 IonicContact OD1-NH2 3.86Å; D606-R701 PolarHBondContact OD1-NH2 3.06Å; D606-R701 IonicContact OD2-NE 2.82Å; D606-R701 IonicContact OD2-NH2 3.08Å; D606-P716 WeakPolarHBondContact OD2-CG 3.25Å
607	R	62.8	Low	72.4	Confident	51 Å²	51	18.7 Å²	18.7	19%	0.192	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	11.4	-175.1	-48.1	173.2	-177.4	-99.7	16	115.3	E487 W603 S605	E487-R607 IonicContact OE1-CZ 2.73Å; E487-R607 IonicContact OE1-NE 3.24Å; E487-R607 PolarHBondContact OE1-NE 3Å; E487-R607 IonicContact OE1-NH2 3.41Å; E487-R607 PolarHBondContact OE1-NH2 2.72Å; W603-R607 WeakPolarHBondContact CZ3-O 3.15Å; S605-R607 PolarHBondContact O-N 3.03Å
608	F	63.4	Low	72.7	Confident	75 Å²	75	18.7 Å²	18.7	33%	0.329	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-28.2	-178	-162.9	-86.1	0	0	0	113	R2 S605 D606	R2-F608 HydrophobicContact CB-CD1 4.05Å; R2-F608 HydrophobicContact CB-CE1 3.97Å; S605-F608 WeakPolarHBondContact O-CB 3.48Å; S605-F608 PolarHBondContact O-N 2.97Å; D606-F608 PolarHBondContact O-N 2.86Å; D606-F608 VanDerWaalsContact O-N 3.09Å
609	L	68.3	Low	72.8	Confident	6 Å²	6	19.1 Å²	19.1	3%	0.031	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.5	-175.9	-103.9	167	0	0	0	110.8	R2 L5 Q45 W603 H604	R2-L609 HydrophobicContact CG-CD1 4.14Å; L5-L609 HydrophobicContact CB-CD2 3.8Å; L5-L609 HydrophobicContact CD1-CD1 4.25Å; L5-L609 HydrophobicContact CD1-CD2 4.42Å; Q45-L609 VanDerWaalsContact OE1-CD2 3.25Å; W603-L609 CarbonylContact C-O 3.59Å; W603-L609 WeakPolarHBondContact CA-O 3.04Å; H604-L609 HydrophobicContact CB-CB 4.36Å; H604-L609 PolarHBondContact N-O 3.1Å; H604-L609 WeakPolarHBondContact O-CB 3.36Å; H604-L609 PolarHBondContact O-N 3.37Å; H604-L609 VanDerWaalsContact O-N 3.13Å
610	C	69.6	Low	72.9	Confident	34 Å²	34	18.8 Å²	18.8	23%	0.23	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.6	166.3	-157.3	0	0	0	0	109	W603 P612	W603-C610 HydrophobicContact CD2-CB 4.12Å; W603-C610 HydrophobicContact CE3-CB 3.81Å; W603-C610 HydrophobicContact CH2-CB 3.65Å; W603-C610 HydrophobicContact CZ2-CB 3.92Å; W603-C610 HydrophobicContact CZ3-CB 3.58Å; C610-P612 WeakPolarHBondContact O-CD 3.28Å
611	R	73.1	Confident	73	Confident	20 Å²	20	19.2 Å²	19.2	8%	0.075	10%	0.096	C	C	.	.			trans	-83.6	112.9	162.7	-85.6	178.3	160.7	141.7	-50.9	109.4	R44 Q45 P602 H604 V613 G614 L615 Q648	R44-R611 VanDerWaalsContact C-NH2 3.33Å; R44-R611 PolarHBondContact O-NE 2.84Å; R44-R611 PolarHBondContact O-NH2 3.13Å; Q45-R611 HydrophobicContact CG-CG 4.13Å; P602-R611 PolarHBondContact O-N 3.37Å; H604-R611 PolarHBondContact CD2-NH1 3.49Å; H604-R611 PolarHBondContact CE1-NH1 3.48Å; H604-R611 PolarHBondContact ND1-NH1 2.96Å; H604-R611 PolarHBondContact NE2-NH1 3.39Å; R611-V613 VanDerWaalsContact C-N 3.34Å; R611-V613 PolarHBondContact O-N 3.03Å; R611-G614 PolarHBondContact O-N 3.33Å; R611-L615 PolarHBondContact O-N 2.77Å; R611-L615 VanDerWaalsContact O-N 3.09Å; R611-Q648 VanDerWaalsContact CD-NE2 3.34Å; R611-Q648 VanDerWaalsContact CD-OE1 3.28Å; R611-Q648 VanDerWaalsContact CZ-CD 3.45Å
612	P	76.2	Confident	73.5	Confident	26 Å²	26	18.4 Å²	18.4	17%	0.169	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-43.7	-176.9	22.2	-31.9	0	0	0	111.8	V273 L313 C610 G614 L615 A616	V273-P612 HydrophobicContact CG1-CB 3.75Å; L313-P612 HydrophobicContact CD2-CB 3.75Å; L313-P612 WeakPolarHBondContact CD2-O 3.4Å; C610-P612 WeakPolarHBondContact O-CD 3.28Å; P612-G614 PolarHBondContact O-N 3.07Å; P612-L615 PolarHBondContact O-N 3.23Å; P612-A616 WeakPolarHBondContact O-CB 3.25Å; P612-A616 PolarHBondContact O-N 3.08Å
613	V	80.3	Confident	74	Confident	8 Å²	8	18.7 Å²	18.7	5%	0.048	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-41	179.9	-165.4	0	0	0	0	112.8	A235 R611 A616 G617 P645	A235-V613 HydrophobicContact CB-CG1 3.51Å; R611-V613 VanDerWaalsContact C-N 3.34Å; R611-V613 PolarHBondContact O-N 3.03Å; V613-A616 WeakPolarHBondContact O-CB 3.33Å; V613-A616 PolarHBondContact O-N 3.19Å; V613-G617 PolarHBondContact O-N 3.12Å; V613-G617 VanDerWaalsContact O-N 3.08Å; V613-P645 HydrophobicContact CG1-CB 3.72Å
614	G	78.5	Confident	74.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-70.9	-36.9	178.5	0	0	0	0	0	112.6	R611 P612 L618	R611-G614 PolarHBondContact O-N 3.33Å; P612-G614 PolarHBondContact O-N 3.07Å; G614-L618 WeakPolarHBondContact O-CG 3.45Å; G614-L618 PolarHBondContact O-N 3.35Å
615	L	81.1	Confident	74.9	Confident	3 Å²	3	15.8 Å²	15.8	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-65.5	-43	172.3	-179.4	59.1	0	0	0	110.8	L313 A347 M484 P602 R611 P612 L618 L619	L313-L615 HydrophobicContact CD1-CD2 4.23Å; L313-L615 HydrophobicContact CD2-CD2 4.44Å; A347-L615 HydrophobicContact CB-CD2 4.23Å; M484-L615 HydrophobicContact SD-CD1 3.74Å; P602-L615 HydrophobicContact CB-CB 4.2Å; R611-L615 PolarHBondContact O-N 2.77Å; R611-L615 VanDerWaalsContact O-N 3.09Å; P612-L615 PolarHBondContact O-N 3.23Å; L615-L618 PolarHBondContact O-N 3.07Å; L615-L619 WeakPolarHBondContact O-CB 3.38Å; L615-L619 PolarHBondContact O-N 2.87Å
616	A	82.3	Confident	75.8	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.4	-50.1	177.4	0	0	0	0	0	112.6	L270 V273 L310 P612 V613 L618 L619 I620	L270-A616 HydrophobicContact CD2-CB 3.77Å; V273-A616 HydrophobicContact CG1-CB 4.37Å; V273-A616 HydrophobicContact CG2-CB 4.18Å; L310-A616 HydrophobicContact CD1-CB 4.15Å; L310-A616 HydrophobicContact CD2-CB 3.53Å; L310-A616 HydrophobicContact CG-CB 4.41Å; P612-A616 WeakPolarHBondContact O-CB 3.25Å; P612-A616 PolarHBondContact O-N 3.08Å; V613-A616 WeakPolarHBondContact O-CB 3.33Å; V613-A616 PolarHBondContact O-N 3.19Å; A616-L618 VanDerWaalsContact C-N 3.33Å; A616-L618 PolarHBondContact O-N 3.09Å; A616-L619 PolarHBondContact O-N 3.4Å; A616-L619 VanDerWaalsContact O-N 3.14Å; A616-I620 WeakPolarHBondContact O-CD1 3.33Å; A616-I620 VanDerWaalsContact O-CG1 3.28Å; A616-I620 WeakPolarHBondContact O-CG1 3.44Å; A616-I620 PolarHBondContact O-N 3.45Å
617	G	79.2	Confident	76.5	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.2	-40.9	178.4	0	0	0	0	0	113.8	V613 L621 Y642	V613-G617 PolarHBondContact O-N 3.12Å; V613-G617 VanDerWaalsContact O-N 3.08Å; G617-L621 PolarHBondContact O-N 3.12Å; G617-Y642 WeakPolarHBondContact CA-O 3.32Å
618	L	83.1	Confident	76.7	Confident	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-69.4	-39.8	174.4	-68.8	172.9	0	0	0	112.7	V521 L600 P602 G614 L615 A616 I620 L621 L622 I643 A646	V521-L618 HydrophobicContact CG1-CD1 4.05Å; V521-L618 HydrophobicContact CG2-CD1 4.04Å; L600-L618 HydrophobicContact CB-CD2 4.38Å; L600-L618 HydrophobicContact CD1-CD2 4.28Å; L600-L618 WeakPolarHBondContact O-CD1 3.09Å; P602-L618 HydrophobicContact CG-CD1 4.26Å; G614-L618 WeakPolarHBondContact O-CG 3.45Å; G614-L618 PolarHBondContact O-N 3.35Å; L615-L618 PolarHBondContact O-N 3.07Å; A616-L618 VanDerWaalsContact C-N 3.33Å; A616-L618 PolarHBondContact O-N 3.09Å; L618-I620 VanDerWaalsContact C-N 3.35Å; L618-L621 PolarHBondContact O-N 2.87Å; L618-L622 WeakPolarHBondContact O-CB 3.21Å; L618-L622 WeakPolarHBondContact O-CD1 3.43Å; L618-L622 VanDerWaalsContact O-CG 3.25Å; L618-L622 WeakPolarHBondContact O-CG 3.21Å; L618-L622 PolarHBondContact O-N 3.3Å; L618-I643 HydrophobicContact CD2-CG1 4.31Å; L618-A646 HydrophobicContact CD1-CB 4.45Å; L618-A646 HydrophobicContact CD2-CB 4.24Å; L618-A646 HydrophobicContact CG-CB 3.93Å
619	L	83.3	Confident	76.7	Confident	8 Å²	8	13.5 Å²	13.5	4%	0.042	7%	0.066	C	C	.	.	H	α-helix	trans	-65.1	-39.1	179.9	-169.7	162.4	0	0	0	110.9	L306 I481 L615 A616 T623	L306-L619 HydrophobicContact CD1-CD2 3.57Å; L306-L619 HydrophobicContact CD2-CD2 3.83Å; L306-L619 HydrophobicContact CG-CD2 3.75Å; I481-L619 HydrophobicContact CD1-CD1 3.6Å; I481-L619 HydrophobicContact CD1-CG 4.07Å; I481-L619 HydrophobicContact CG1-CD1 4.41Å; L615-L619 WeakPolarHBondContact O-CB 3.38Å; L615-L619 PolarHBondContact O-N 2.87Å; A616-L619 PolarHBondContact O-N 3.4Å; A616-L619 VanDerWaalsContact O-N 3.14Å; L619-T623 HydrophobicContact CD2-CG2 4.36Å; L619-T623 WeakPolarHBondContact O-CB 3.5Å; L619-T623 WeakPolarHBondContact O-CG2 3.37Å; L619-T623 PolarHBondContact O-N 3.13Å; L619-T623 PolarHBondContact O-OG1 3.01Å
620	I	84.2	Confident	76.3	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-49.5	170	-66.1	156.2	0	0	0	111.2	L266 L270 L306 L310 A616 L618 L622 T623 S624 Y642	L266-I620 HydrophobicContact CD1-CG1 4.15Å; L266-I620 HydrophobicContact CD1-CG2 4.13Å; L266-I620 HydrophobicContact CD2-CD1 3.8Å; L266-I620 HydrophobicContact CD2-CG1 4.11Å; L266-I620 HydrophobicContact CD2-CG2 4.19Å; L266-I620 HydrophobicContact CG-CD1 4.32Å; L266-I620 HydrophobicContact CG-CG1 4.26Å; L270-I620 HydrophobicContact CD1-CD1 3.58Å; L270-I620 HydrophobicContact CD2-CD1 3.72Å; L270-I620 HydrophobicContact CG-CD1 3.68Å; L306-I620 HydrophobicContact CD2-CB 4.18Å; L306-I620 HydrophobicContact CD2-CG1 3.57Å; L310-I620 HydrophobicContact CD1-CD1 3.92Å; L310-I620 HydrophobicContact CD1-CG1 4.11Å; A616-I620 WeakPolarHBondContact O-CD1 3.33Å; A616-I620 VanDerWaalsContact O-CG1 3.28Å; A616-I620 WeakPolarHBondContact O-CG1 3.44Å; A616-I620 PolarHBondContact O-N 3.45Å; L618-I620 VanDerWaalsContact C-N 3.35Å; I620-L622 VanDerWaalsContact C-N 3.34Å; I620-L622 PolarHBondContact O-N 2.89Å; I620-T623 PolarHBondContact O-OG1 2.99Å; I620-S624 VanDerWaalsContact O-CB 3.3Å; I620-S624 WeakPolarHBondContact O-CB 3.45Å; I620-S624 PolarHBondContact O-N 3.26Å; I620-Y642 HydrophobicContact CD1-CD1 4.4Å; I620-Y642 HydrophobicContact CD1-CG 4.45Å; I620-Y642 HydrophobicContact CG2-CD2 3.68Å; I620-Y642 HydrophobicContact CG2-CE2 4.4Å; I620-Y642 HydrophobicContact CG2-CG 3.86Å
621	L	82.1	Confident	76	Confident	9 Å²	9	17.5 Å²	17.5	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-45.1	179.8	-174.5	71.6	0	0	0	111.4	I553 G617 L618 S624 C625 F632 I643	I553-L621 HydrophobicContact CD1-CD2 4.03Å; G617-L621 PolarHBondContact O-N 3.12Å; L618-L621 PolarHBondContact O-N 2.87Å; L621-S624 WeakPolarHBondContact O-CB 3.45Å; L621-S624 PolarHBondContact O-N 3.23Å; L621-C625 PolarHBondContact O-N 3.27Å; L621-C625 PolarHBondContact O-SG 2.97Å; L621-F632 HydrophobicContact CD1-CE1 4.48Å; L621-F632 HydrophobicContact CD1-CZ 4.07Å; L621-I643 HydrophobicContact CD2-CB 4.46Å; L621-I643 HydrophobicContact CD2-CD1 3.69Å; L621-I643 HydrophobicContact CD2-CG1 4.02Å
622	L	81.9	Confident	75.4	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-74.3	-33.5	-176	-68.9	165.2	0	0	0	113	L514 A517 L518 I553 L618 I620 C625 L626	L514-L622 HydrophobicContact CB-CD2 4.04Å; L514-L622 HydrophobicContact CD2-CD2 3.96Å; A517-L622 HydrophobicContact CB-CD2 4.44Å; L518-L622 HydrophobicContact CB-CD1 3.85Å; L518-L622 HydrophobicContact CD1-CD1 3.74Å; L518-L622 HydrophobicContact CG-CD1 4.18Å; I553-L622 HydrophobicContact CD1-CD2 3.78Å; I553-L622 HydrophobicContact CD1-CG 4.48Å; L618-L622 WeakPolarHBondContact O-CB 3.21Å; L618-L622 WeakPolarHBondContact O-CD1 3.43Å; L618-L622 VanDerWaalsContact O-CG 3.25Å; L618-L622 WeakPolarHBondContact O-CG 3.21Å; L618-L622 PolarHBondContact O-N 3.3Å; I620-L622 VanDerWaalsContact C-N 3.34Å; I620-L622 PolarHBondContact O-N 2.89Å; L622-C625 WeakPolarHBondContact O-CB 3.46Å; L622-C625 PolarHBondContact O-N 3.11Å; L622-L626 PolarHBondContact O-N 3.16Å
623	T	79.6	Confident	74.5	Confident	7 Å²	7	18.5 Å²	18.5	4%	0.043	9%	0.087	C	C	.	.	H	α-helix	trans	-71.8	-34	170.7	49.9	0	0	0	0	112.2	L306 L474 L477 L619 I620 C625 L626	L306-T623 HydrophobicContact CD1-CG2 3.76Å; L306-T623 WeakPolarHBondContact CD2-OG1 3.46Å; L474-T623 HydrophobicContact CD2-CG2 3.91Å; L477-T623 HydrophobicContact CD1-CG2 3.84Å; L619-T623 HydrophobicContact CD2-CG2 4.36Å; L619-T623 WeakPolarHBondContact O-CB 3.5Å; L619-T623 WeakPolarHBondContact O-CG2 3.37Å; L619-T623 PolarHBondContact O-N 3.13Å; L619-T623 PolarHBondContact O-OG1 3.01Å; I620-T623 PolarHBondContact O-OG1 2.99Å; T623-C625 PolarHBondContact O-N 2.83Å; T623-L626 WeakPolarHBondContact O-CB 3.45Å; T623-L626 PolarHBondContact O-N 3.28Å; T623-L626 VanDerWaalsContact O-N 3.15Å
624	S	78	Confident	73.4	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-31.3	166.7	-173.6	0	0	0	0	112.6	I620 L621 L626 T631 L639	I620-S624 VanDerWaalsContact O-CB 3.3Å; I620-S624 WeakPolarHBondContact O-CB 3.45Å; I620-S624 PolarHBondContact O-N 3.26Å; L621-S624 WeakPolarHBondContact O-CB 3.45Å; L621-S624 PolarHBondContact O-N 3.23Å; S624-L626 VanDerWaalsContact C-N 3.32Å; S624-L626 PolarHBondContact O-N 3.11Å; S624-T631 WeakPolarHBondContact O-CG2 3.49Å; S624-T631 PolarHBondContact O-OG1 3.36Å; S624-L639 WeakPolarHBondContact OG-CD1 3.48Å
625	C	74.8	Confident	72.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-72.7	-15.3	174.1	-64.9	0	0	0	0	114.2	L514 N546 L621 L622 T623 D627 M628 F632	L514-C625 HydrophobicContact CD1-CB 3.61Å; L514-C625 HydrophobicContact CD2-CB 3.72Å; L514-C625 HydrophobicContact CG-CB 4.33Å; N546-C625 PolarHBondContact OD1-O 2.84Å; L621-C625 PolarHBondContact O-N 3.27Å; L621-C625 PolarHBondContact O-SG 2.97Å; L622-C625 WeakPolarHBondContact O-CB 3.46Å; L622-C625 PolarHBondContact O-N 3.11Å; T623-C625 PolarHBondContact O-N 2.83Å; C625-D627 PolarHBondContact O-N 2.93Å; C625-M628 HydrophobicContact CB-CG 4.43Å; C625-M628 WeakPolarHBondContact O-CG 3.48Å; C625-F632 HydrophobicContact CB-CE2 4.37Å; C625-F632 VanDerWaalsContact SG-CE2 3.55Å
626	L	73.9	Confident	72.1	Confident	20 Å²	20	29 Å²	29	11%	0.105	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.8	-37.4	177.3	-70.7	173.2	0	0	0	111.9	L474 L477 A511 L514 L622 T623 S624	L474-L626 HydrophobicContact CD2-CD1 3.65Å; L474-L626 HydrophobicContact CG-CD1 3.93Å; L477-L626 HydrophobicContact CD1-CD1 3.94Å; L477-L626 HydrophobicContact CD1-CD2 4.16Å; L477-L626 HydrophobicContact CD1-CG 4.12Å; A511-L626 HydrophobicContact CB-CD2 3.99Å; L514-L626 HydrophobicContact CD1-CD2 4.13Å; L622-L626 PolarHBondContact O-N 3.16Å; T623-L626 WeakPolarHBondContact O-CB 3.45Å; T623-L626 PolarHBondContact O-N 3.28Å; T623-L626 VanDerWaalsContact O-N 3.15Å; S624-L626 VanDerWaalsContact C-N 3.32Å; S624-L626 PolarHBondContact O-N 3.11Å
627	D	70	Confident	71.5	Confident	24 Å²	24	30 Å²	30	13%	0.128	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-112.3	49.3	-178.2	-58.7	-11.5	0	0	0	111.7	V299 K302 C625 R629 M630 T631	V299-D627 HydrophobicContact CG1-CB 4.08Å; V299-D627 WeakPolarHBondContact CG1-OD2 3.5Å; V299-D627 HydrophobicContact CG2-CB 4.17Å; V299-D627 WeakPolarHBondContact CG2-OD2 3.47Å; K302-D627 IonicContact NZ-OD1 2.67Å; K302-D627 PolarHBondContact NZ-OD1 2.82Å; K302-D627 IonicContact NZ-OD2 3.85Å; K302-D627 PolarHBondContact NZ-OD2 3.07Å; C625-D627 PolarHBondContact O-N 2.93Å; D627-R629 PolarHBondContact O-N 2.95Å; D627-M630 HydrophobicContact CB-CB 4.5Å; D627-M630 PolarHBondContact O-N 3.2Å; D627-T631 PolarHBondContact O-N 3.23Å; D627-T631 VanDerWaalsContact O-N 3.11Å; D627-T631 PolarHBondContact O-OG1 2.89Å
628	M	66.7	Low	71.4	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.025	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-35.5	-174.1	-67.4	-150	66.5	0	0	115.1	H545 N546 I549 L583 C625 M630 F632 M633	H545-M628 HydrophobicContact CB-CE 4.13Å; H545-M628 HydrophobicContact CB-SD 3.42Å; H545-M628 WeakPolarHBondContact CB-SD 3.43Å; N546-M628 VanDerWaalsContact OD1-CG 3.26Å; N546-M628 WeakPolarHBondContact OD1-CG 3.3Å; N546-M628 PolarHBondContact OD1-SD 3.2Å; I549-M628 HydrophobicContact CD1-CE 3.31Å; I549-M628 HydrophobicContact CD1-SD 4.09Å; I549-M628 HydrophobicContact CG1-CE 4.12Å; L583-M628 HydrophobicContact CD1-CE 3.51Å; L583-M628 HydrophobicContact CD1-SD 4.41Å; L583-M628 HydrophobicContact CD2-CE 3.59Å; L583-M628 HydrophobicContact CG-CE 4.2Å; C625-M628 HydrophobicContact CB-CG 4.43Å; C625-M628 WeakPolarHBondContact O-CG 3.48Å; M628-M630 PolarHBondContact O-N 3.12Å; M628-F632 HydrophobicContact CE-CB 4.43Å; M628-F632 HydrophobicContact CE-CD2 3.82Å; M628-F632 HydrophobicContact CE-CG 4.37Å; M628-F632 HydrophobicContact CG-CD2 4.47Å; M628-F632 PolarHBondContact O-N 2.82Å; M628-M633 WeakPolarHBondContact O-CB 3.39Å; M628-M633 PolarHBondContact O-N 2.86Å; M628-M633 VanDerWaalsContact O-N 3.13Å
629	R	63.5	Low	71	Confident	111 Å²	111	30.2 Å²	30.2	42%	0.419	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21	178.4	-71.9	-174.4	177.3	171.4	9.3	114	E542 D627 M633	E542-R629 HydrophobicContact CG-CG 3.96Å; E542-R629 WeakPolarHBondContact OE1-CD 3.27Å; E542-R629 IonicContact OE1-CZ 3.62Å; E542-R629 IonicContact OE1-NE 3.88Å; E542-R629 PolarHBondContact OE1-NE 3.36Å; E542-R629 IonicContact OE1-NH1 2.78Å; E542-R629 PolarHBondContact OE1-NH1 3.37Å; E542-R629 VanDerWaalsContact OE1-NH1 3.17Å; E542-R629 IonicContact OE1-NH2 2.64Å; E542-R629 PolarHBondContact OE1-NH2 3.48Å; E542-R629 VanDerWaalsContact OE1-NH2 3.16Å; D627-R629 PolarHBondContact O-N 2.95Å; R629-M633 HydrophobicContact CB-CE 3.94Å; R629-M633 HydrophobicContact CB-SD 4.39Å; R629-M633 HydrophobicContact CG-CE 4.02Å; R629-M633 HydrophobicContact CG-SD 4.11Å; R629-M633 WeakPolarHBondContact O-CB 3.33Å
630	M	60.4	Low	71	Confident	118 Å²	118	30.1 Å²	30.1	58%	0.581	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-40.8	180	-63.9	-56.7	-177.5	0	0	111.7	V299 D627 M628 S634	V299-M630 HydrophobicContact CG2-CB 3.82Å; V299-M630 HydrophobicContact CG2-CG 4.18Å; D627-M630 HydrophobicContact CB-CB 4.5Å; D627-M630 PolarHBondContact O-N 3.2Å; M628-M630 PolarHBondContact O-N 3.12Å; M630-S634 PolarHBondContact O-OG 2.85Å
631	T	62.8	Low	70.9	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.031	14%	0.141	C	C	.	.	I	π-helix	trans	-74	-73.1	-178.4	53.1	0	0	0	0	112	V299 S624 D627 H636 L639	V299-T631 HydrophobicContact CG1-CG2 3.89Å; S624-T631 WeakPolarHBondContact O-CG2 3.49Å; S624-T631 PolarHBondContact O-OG1 3.36Å; D627-T631 PolarHBondContact O-N 3.23Å; D627-T631 VanDerWaalsContact O-N 3.11Å; D627-T631 PolarHBondContact O-OG1 2.89Å; T631-H636 WeakPolarHBondContact O-CB 3.44Å; T631-H636 PolarHBondContact O-N 2.89Å; T631-L639 HydrophobicContact CG2-CD1 4.38Å
632	F	61.1	Low	70.9	Confident	14 Å²	14	29.7 Å²	29.7	6%	0.061	14%	0.139	C	C	.	.	I	π-helix	trans	-83.1	-17.7	-174.2	-58	-75.4	0	0	0	114.8	L621 C625 M628 I640	L621-F632 HydrophobicContact CD1-CE1 4.48Å; L621-F632 HydrophobicContact CD1-CZ 4.07Å; C625-F632 HydrophobicContact CB-CE2 4.37Å; C625-F632 VanDerWaalsContact SG-CE2 3.55Å; M628-F632 HydrophobicContact CE-CB 4.43Å; M628-F632 HydrophobicContact CE-CD2 3.82Å; M628-F632 HydrophobicContact CE-CG 4.37Å; M628-F632 HydrophobicContact CG-CD2 4.47Å; M628-F632 PolarHBondContact O-N 2.82Å; F632-I640 HydrophobicContact CD1-CG1 4.2Å; F632-I640 HydrophobicContact CE1-CD1 4.43Å; F632-I640 HydrophobicContact CE1-CG1 3.66Å
633	M	56.9	Low	71	Confident	53 Å²	53	29.7 Å²	29.7	26%	0.261	14%	0.139	S	C	.	.	I	π-helix	trans	-86.6	-19.6	-175.1	-149.2	172.8	73.3	0	0	113.3	R112 Y579 M628 R629	R112-M633 PolarHBondContact NH2-O 3.33Å; Y579-M633 HydrophobicContact CD1-CG 3.34Å; Y579-M633 HydrophobicContact CD1-SD 4.16Å; Y579-M633 HydrophobicContact CD2-CG 4.33Å; Y579-M633 HydrophobicContact CD2-SD 4.13Å; Y579-M633 HydrophobicContact CE1-CB 4.36Å; Y579-M633 HydrophobicContact CE1-CG 3.16Å; Y579-M633 HydrophobicContact CE1-SD 4.14Å; Y579-M633 HydrophobicContact CE2-CG 4.21Å; Y579-M633 HydrophobicContact CE2-SD 4.13Å; Y579-M633 HydrophobicContact CG-CG 3.92Å; Y579-M633 HydrophobicContact CG-SD 4.13Å; M628-M633 WeakPolarHBondContact O-CB 3.39Å; M628-M633 PolarHBondContact O-N 2.86Å; M628-M633 VanDerWaalsContact O-N 3.13Å; R629-M633 HydrophobicContact CB-CE 3.94Å; R629-M633 HydrophobicContact CB-SD 4.39Å; R629-M633 HydrophobicContact CG-CE 4.02Å; R629-M633 HydrophobicContact CG-SD 4.11Å; R629-M633 WeakPolarHBondContact O-CB 3.33Å
634	S	57.3	Low	71.1	Confident	61 Å²	61	29.4 Å²	29.4	43%	0.427	14%	0.137	S	C	.	.	I	π-helix	trans	-112.4	-67.8	-166.9	83.9	0	0	0	0	114.7	M630	M630-S634 PolarHBondContact O-OG 2.85Å
635	R	66.2	Low	71.1	Confident	157 Å²	157	29.8 Å²	29.8	59%	0.592	14%	0.139	S	C	*	.	I	π-helix	trans	-154	-2.5	-164.3	-62.2	-173.9	-179.8	170.4	0	115.9	F150	F150-R635 WeakPolarHBondContact CD1-O 3.36Å; F150-R635 HydrophobicContact CE1-CB 4.47Å; F150-R635 HydrophobicContact CE2-CB 4.42Å; F150-R635 HydrophobicContact CE2-CG 4.23Å; F150-R635 HydrophobicContact CZ-CB 4.27Å; F150-R635 HydrophobicContact CZ-CG 4.4Å
636	H	67.2	Low	71.4	Confident	14 Å²	14	29.8 Å²	29.8	7%	0.065	14%	0.139	C	C	.	.			trans	-122	28.5	-163.7	-57.3	-67.1	0	0	0	114.6	Q259 F300 T631 Y638 L639	Q259-H636 PolarHBondContact OE1-CE1 3.47Å; Q259-H636 VanDerWaalsContact OE1-CE1 3.29Å; F300-H636 AromaticContact CZ-CE1 3.86Å; F300-H636 AromaticContact CZ-NE2 3.78Å; T631-H636 WeakPolarHBondContact O-CB 3.44Å; T631-H636 PolarHBondContact O-N 2.89Å; H636-Y638 HydrophobicContact CB-CE1 4.35Å; H636-Y638 AromaticContact ND1-CE1 3.63Å; H636-Y638 AromaticContact ND1-CZ 3.42Å; H636-Y638 PolarHBondContact ND1-OH 3.24Å; H636-Y638 PolarHBondContact O-N 3.1Å; H636-L639 HydrophobicContact CB-CD1 3.96Å; H636-L639 HydrophobicContact CB-CG 4.34Å; H636-L639 WeakPolarHBondContact O-CB 3.29Å; H636-L639 VanDerWaalsContact O-CG 3.31Å; H636-L639 WeakPolarHBondContact O-CG 3.31Å; H636-L639 PolarHBondContact O-N 3.17Å
637	D	70.3	Confident	71.8	Confident	20 Å²	20	29 Å²	29	11%	0.107	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-56.7	-20	179.5	-44.9	-3.3	0	0	0	113.4	Y119 L639 I640	Y119-D637 HydrophobicContact CE2-CB 4.36Å; Y119-D637 WeakPolarHBondContact OH-CB 3.16Å; Y119-D637 PolarHBondContact OH-O 3.21Å; D637-L639 PolarHBondContact O-N 3.44Å; D637-I640 WeakPolarHBondContact O-CD1 3.45Å; D637-I640 VanDerWaalsContact O-CG1 3.25Å; D637-I640 WeakPolarHBondContact O-CG1 3.47Å; D637-I640 PolarHBondContact O-N 2.92Å
638	Y	75.7	Confident	72.1	Confident	6 Å²	6	28.5 Å²	28.5	2%	0.024	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-63.4	-17	173.1	58.8	-110.6	0	0	0	113.7	M153 I228 L263 H636 I640 F641	M153-Y638 HydrophobicContact CE-CD1 4.16Å; M153-Y638 HydrophobicContact CE-CG 4.27Å; M153-Y638 HydrophobicContact SD-CD1 4.45Å; I228-Y638 HydrophobicContact CD1-CD2 3.31Å; I228-Y638 HydrophobicContact CD1-CE2 3.42Å; I228-Y638 VanDerWaalsContact CD1-CE2 3.42Å; I228-Y638 HydrophobicContact CD1-CG 4.25Å; L263-Y638 HydrophobicContact CD1-CE2 4.36Å; H636-Y638 HydrophobicContact CB-CE1 4.35Å; H636-Y638 AromaticContact ND1-CE1 3.63Å; H636-Y638 AromaticContact ND1-CZ 3.42Å; H636-Y638 PolarHBondContact ND1-OH 3.24Å; H636-Y638 PolarHBondContact O-N 3.1Å; Y638-I640 PolarHBondContact O-N 3.22Å; Y638-I640 VanDerWaalsContact O-N 3.15Å; Y638-F641 VanDerWaalsContact O-CD2 3.31Å; Y638-F641 WeakPolarHBondContact O-CD2 3.46Å; Y638-F641 PolarHBondContact O-N 3.06Å; Y638-F641 VanDerWaalsContact O-N 3.12Å
639	L	76	Confident	72.5	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-64.4	-16.3	176.5	-67.1	173.9	0	0	0	112.8	L263 F303 S624 T631 H636 D637 F641 Y642	L263-L639 HydrophobicContact CD2-CD2 3.92Å; F303-L639 HydrophobicContact CE2-CD1 4.04Å; F303-L639 HydrophobicContact CZ-CD1 3.89Å; S624-L639 WeakPolarHBondContact OG-CD1 3.48Å; T631-L639 HydrophobicContact CG2-CD1 4.38Å; H636-L639 HydrophobicContact CB-CD1 3.96Å; H636-L639 HydrophobicContact CB-CG 4.34Å; H636-L639 WeakPolarHBondContact O-CB 3.29Å; H636-L639 VanDerWaalsContact O-CG 3.31Å; H636-L639 WeakPolarHBondContact O-CG 3.31Å; H636-L639 PolarHBondContact O-N 3.17Å; D637-L639 PolarHBondContact O-N 3.44Å; L639-F641 PolarHBondContact O-N 2.81Å; L639-Y642 HydrophobicContact CD2-CD2 4.1Å; L639-Y642 HydrophobicContact CD2-CE2 3.87Å; L639-Y642 PolarHBondContact O-N 2.94Å
640	I	82.4	Confident	73	Confident	6 Å²	6	25 Å²	25	3%	0.031	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-62.8	-30.2	173.6	-52.5	162.8	0	0	0	111.1	Y119 W161 L586 F632 D637 Y638 Y642 I643	Y119-I640 HydrophobicContact CD1-CD1 4.29Å; Y119-I640 HydrophobicContact CE1-CD1 3.81Å; Y119-I640 HydrophobicContact CE2-CD1 4.2Å; W161-I640 HydrophobicContact CH2-CB 4.42Å; W161-I640 HydrophobicContact CH2-CG2 3.69Å; W161-I640 HydrophobicContact CZ2-CG2 4.06Å; L586-I640 HydrophobicContact CD1-CD1 3.64Å; L586-I640 HydrophobicContact CD1-CG1 4.49Å; F632-I640 HydrophobicContact CD1-CG1 4.2Å; F632-I640 HydrophobicContact CE1-CD1 4.43Å; F632-I640 HydrophobicContact CE1-CG1 3.66Å; D637-I640 WeakPolarHBondContact O-CD1 3.45Å; D637-I640 VanDerWaalsContact O-CG1 3.25Å; D637-I640 WeakPolarHBondContact O-CG1 3.47Å; D637-I640 PolarHBondContact O-N 2.92Å; Y638-I640 PolarHBondContact O-N 3.22Å; Y638-I640 VanDerWaalsContact O-N 3.15Å; I640-Y642 PolarHBondContact O-N 2.8Å; I640-Y642 VanDerWaalsContact O-N 3.14Å; I640-I643 HydrophobicContact CG2-CG2 4.46Å; I640-I643 VanDerWaalsContact O-CB 3.23Å; I640-I643 WeakPolarHBondContact O-CB 3.3Å; I640-I643 WeakPolarHBondContact O-CG2 3.43Å; I640-I643 PolarHBondContact O-N 3.24Å
641	F	82.3	Confident	73.6	Confident	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-67.4	-15.3	-176.3	-66.4	-74.7	0	0	0	114.1	Y119 A157 T158 W161 L191 V195 Y638 L639 I643 T644	Y119-F641 HydrophobicContact CE1-CE2 4.16Å; Y119-F641 AromaticContact CE1-CZ 3.99Å; Y119-F641 HydrophobicContact CE1-CZ 3.99Å; A157-F641 HydrophobicContact CB-CD2 4.35Å; A157-F641 HydrophobicContact CB-CE1 3.92Å; A157-F641 HydrophobicContact CB-CE2 3.58Å; A157-F641 HydrophobicContact CB-CZ 3.34Å; T158-F641 HydrophobicContact CG2-CE1 4.44Å; T158-F641 HydrophobicContact CG2-CZ 4.16Å; W161-F641 HydrophobicContact CD2-CD1 4.18Å; W161-F641 AromaticContact CD2-CE1 3.87Å; W161-F641 HydrophobicContact CD2-CE1 3.87Å; W161-F641 AromaticContact CE2-CD1 3.43Å; W161-F641 VanDerWaalsContact CE2-CD1 3.43Å; W161-F641 AromaticContact CE2-CE1 3.56Å; W161-F641 HydrophobicContact CE3-CE1 4.21Å; W161-F641 HydrophobicContact CG-CE1 4.48Å; W161-F641 HydrophobicContact CH2-CD1 4.21Å; W161-F641 AromaticContact CH2-CE1 3.98Å; W161-F641 HydrophobicContact CH2-CE1 3.98Å; W161-F641 AromaticContact CZ2-CD1 3.45Å; W161-F641 HydrophobicContact CZ2-CD1 3.45Å; W161-F641 VanDerWaalsContact CZ2-CD1 3.45Å; W161-F641 AromaticContact CZ2-CE1 3.62Å; W161-F641 HydrophobicContact CZ2-CE1 3.62Å; W161-F641 HydrophobicContact CZ2-CG 4.23Å; W161-F641 HydrophobicContact CZ3-CE1 4.27Å; W161-F641 AromaticContact NE1-CD1 3.58Å; L191-F641 HydrophobicContact CD2-CB 3.76Å; L191-F641 HydrophobicContact CD2-CD1 4.01Å; L191-F641 HydrophobicContact CD2-CD2 3.41Å; L191-F641 VanDerWaalsContact CD2-CD2 3.41Å; L191-F641 HydrophobicContact CD2-CE2 4Å; L191-F641 HydrophobicContact CD2-CG 3.44Å; L191-F641 VanDerWaalsContact CD2-CG 3.44Å; V195-F641 HydrophobicContact CG2-CB 4.12Å; V195-F641 HydrophobicContact CG2-CD1 3.89Å; V195-F641 HydrophobicContact CG2-CG 4.28Å; Y638-F641 VanDerWaalsContact O-CD2 3.31Å; Y638-F641 WeakPolarHBondContact O-CD2 3.46Å; Y638-F641 PolarHBondContact O-N 3.06Å; Y638-F641 VanDerWaalsContact O-N 3.12Å; L639-F641 PolarHBondContact O-N 2.81Å; F641-I643 PolarHBondContact O-N 2.92Å; F641-T644 WeakPolarHBondContact O-CB 3.49Å; F641-T644 PolarHBondContact O-N 3.41Å; F641-T644 VanDerWaalsContact O-N 3.1Å; F641-T644 PolarHBondContact O-OG1 2.85Å
642	Y	82.4	Confident	74.2	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-66.8	-8.2	166.9	-72.2	-60	0	0	0	113.9	I228 V232 L263 L266 S267 L270 G617 I620 L639 I640 T644 P645	I228-Y642 HydrophobicContact CG1-CE2 4.23Å; I228-Y642 WeakPolarHBondContact CG1-OH 3.35Å; I228-Y642 HydrophobicContact CG2-CE1 4.05Å; I228-Y642 HydrophobicContact CG2-CE2 4.15Å; V232-Y642 HydrophobicContact CG2-CD1 3.67Å; V232-Y642 HydrophobicContact CG2-CE1 4.03Å; L263-Y642 HydrophobicContact CD2-CE2 4.21Å; L266-Y642 HydrophobicContact CD2-CD1 4.29Å; L266-Y642 HydrophobicContact CD2-CD2 4.3Å; L266-Y642 HydrophobicContact CD2-CE1 3.7Å; L266-Y642 HydrophobicContact CD2-CE2 3.7Å; L266-Y642 WeakPolarHBondContact CD2-OH 3.25Å; S267-Y642 PolarHBondContact OG-OH 3.1Å; S267-Y642 VanDerWaalsContact OG-OH 3.12Å; L270-Y642 HydrophobicContact CD1-CD1 3.41Å; L270-Y642 VanDerWaalsContact CD1-CD1 3.41Å; L270-Y642 HydrophobicContact CD1-CE1 3.44Å; L270-Y642 VanDerWaalsContact CD1-CE1 3.44Å; G617-Y642 WeakPolarHBondContact CA-O 3.32Å; I620-Y642 HydrophobicContact CD1-CD1 4.4Å; I620-Y642 HydrophobicContact CD1-CG 4.45Å; I620-Y642 HydrophobicContact CG2-CD2 3.68Å; I620-Y642 HydrophobicContact CG2-CE2 4.4Å; I620-Y642 HydrophobicContact CG2-CG 3.86Å; L639-Y642 HydrophobicContact CD2-CD2 4.1Å; L639-Y642 HydrophobicContact CD2-CE2 3.87Å; L639-Y642 PolarHBondContact O-N 2.94Å; I640-Y642 PolarHBondContact O-N 2.8Å; I640-Y642 VanDerWaalsContact O-N 3.14Å; Y642-T644 VanDerWaalsContact C-N 3.26Å; Y642-P645 WeakPolarHBondContact O-CD 3.46Å
643	I	84.1	Confident	74.9	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-71.5	-20.1	168.9	-149.3	177.6	0	0	0	112.6	W161 L590 L600 L618 L621 I640 F641 A646 I647	W161-I643 HydrophobicContact CZ2-CG2 4.03Å; L590-I643 HydrophobicContact CD2-CD1 3.95Å; L600-I643 HydrophobicContact CD1-CD1 3.65Å; L600-I643 HydrophobicContact CD1-CG1 4.26Å; L600-I643 HydrophobicContact CD2-CD1 4.08Å; L600-I643 HydrophobicContact CD2-CG1 3.98Å; L618-I643 HydrophobicContact CD2-CG1 4.31Å; L621-I643 HydrophobicContact CD2-CB 4.46Å; L621-I643 HydrophobicContact CD2-CD1 3.69Å; L621-I643 HydrophobicContact CD2-CG1 4.02Å; I640-I643 HydrophobicContact CG2-CG2 4.46Å; I640-I643 VanDerWaalsContact O-CB 3.23Å; I640-I643 WeakPolarHBondContact O-CB 3.3Å; I640-I643 WeakPolarHBondContact O-CG2 3.43Å; I640-I643 PolarHBondContact O-N 3.24Å; F641-I643 PolarHBondContact O-N 2.92Å; I643-A646 WeakPolarHBondContact O-CB 3.41Å; I643-A646 PolarHBondContact O-N 2.87Å; I643-I647 HydrophobicContact CG2-CD1 4.26Å; I643-I647 PolarHBondContact O-N 2.94Å
644	T	81.6	Confident	75.9	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.006	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-58.1	-43.2	-169.8	-45.4	0	0	0	0	113.3	W161 L164 V195 C198 F641 Y642 A646 I647	W161-T644 PolarHBondContact NE1-OG1 3.02Å; L164-T644 HydrophobicContact CD1-CG2 3.62Å; V195-T644 HydrophobicContact CG1-CG2 3.91Å; C198-T644 HydrophobicContact CB-CG2 3.75Å; F641-T644 WeakPolarHBondContact O-CB 3.49Å; F641-T644 PolarHBondContact O-N 3.41Å; F641-T644 VanDerWaalsContact O-N 3.1Å; F641-T644 PolarHBondContact O-OG1 2.85Å; Y642-T644 VanDerWaalsContact C-N 3.26Å; T644-A646 PolarHBondContact O-N 3.24Å; T644-A646 VanDerWaalsContact O-N 3.12Å; T644-I647 WeakPolarHBondContact O-CB 3.44Å; T644-I647 PolarHBondContact O-N 3.34Å
645	P	78.1	Confident	76.8	Confident	8 Å²	8	13.6 Å²	13.6	5%	0.052	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-65.7	-13.8	176.4	-21	33.9	0	0	0	115	V232 A235 V613 Y642 Q648	V232-P645 HydrophobicContact CG1-CG 4.38Å; A235-P645 HydrophobicContact CB-CB 4.26Å; A235-P645 HydrophobicContact CB-CG 3.96Å; V613-P645 HydrophobicContact CG1-CB 3.72Å; Y642-P645 WeakPolarHBondContact O-CD 3.46Å; P645-Q648 PolarHBondContact O-NE2 2.72Å
646	A	80.8	Confident	77.1	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-86.4	-19.4	171.5	0	0	0	0	0	112.9	T599 L600 L618 I643 T644 Q648	T599-A646 VanDerWaalsContact O-O 3.08Å; L600-A646 WeakPolarHBondContact CA-O 3.29Å; L600-A646 HydrophobicContact CD2-CB 4.16Å; L618-A646 HydrophobicContact CD1-CB 4.45Å; L618-A646 HydrophobicContact CD2-CB 4.24Å; L618-A646 HydrophobicContact CG-CB 3.93Å; I643-A646 WeakPolarHBondContact O-CB 3.41Å; I643-A646 PolarHBondContact O-N 2.87Å; T644-A646 PolarHBondContact O-N 3.24Å; T644-A646 VanDerWaalsContact O-N 3.12Å; A646-Q648 PolarHBondContact O-N 2.94Å
647	I	81.2	Confident	77.2	Confident	4 Å²	4	10 Å²	10	2%	0.021	5%	0.049	C	C	.	.			trans	-71.9	113.8	179.3	-60.4	176.3	0	0	0	109.8	L164 L593 L598 T599 L600 I643 T644	L164-I647 HydrophobicContact CD2-CB 4.42Å; L164-I647 HydrophobicContact CD2-CG2 3.9Å; L593-I647 HydrophobicContact CD1-CD1 4.44Å; L593-I647 HydrophobicContact CD1-CG1 4.37Å; L593-I647 HydrophobicContact CD2-CD1 4.41Å; L593-I647 HydrophobicContact CD2-CG1 4.45Å; L593-I647 HydrophobicContact CD2-CG2 3.87Å; L598-I647 HydrophobicContact CB-CG2 4.22Å; L598-I647 HydrophobicContact CD1-CG2 3.81Å; L598-I647 HydrophobicContact CD2-CG2 4.37Å; L598-I647 HydrophobicContact CG-CG2 4.35Å; T599-I647 WeakPolarHBondContact O-CA 3.27Å; L600-I647 HydrophobicContact CD2-CG1 3.79Å; I643-I647 HydrophobicContact CG2-CD1 4.26Å; I643-I647 PolarHBondContact O-N 2.94Å; T644-I647 WeakPolarHBondContact O-CB 3.44Å; T644-I647 PolarHBondContact O-N 3.34Å
648	Q	76.7	Confident	76.9	Confident	12 Å²	12	14.1 Å²	14.1	6%	0.056	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.4	-174.2	-66.6	162.7	26	0	0	111.5	L598 T599 H604 R611 P645 A646	L598-Q648 CarbonylContact C-O 3.57Å; L598-Q648 WeakPolarHBondContact CA-O 3.43Å; T599-Q648 PolarHBondContact N-O 3.22Å; T599-Q648 PolarHBondContact O-N 2.95Å; T599-Q648 PolarHBondContact OG1-O 3.1Å; H604-Q648 PolarHBondContact CE1-OE1 3.34Å; H604-Q648 PolarHBondContact NE2-OE1 3.38Å; R611-Q648 VanDerWaalsContact CD-NE2 3.34Å; R611-Q648 VanDerWaalsContact CD-OE1 3.28Å; R611-Q648 VanDerWaalsContact CZ-CD 3.45Å; P645-Q648 PolarHBondContact O-NE2 2.72Å; A646-Q648 PolarHBondContact O-N 2.94Å
649	P	76.1	Confident	76.4	Confident	10 Å²	10	15.1 Å²	15.1	7%	0.065	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.8	-173.1	31.7	-31.7	0	0	0	113.2	L69 F73 W165 L598 L651	L69-P649 HydrophobicContact CD1-CG 4.26Å; F73-P649 HydrophobicContact CD2-CB 4.17Å; F73-P649 HydrophobicContact CE2-CB 4.39Å; W165-P649 HydrophobicContact CH2-CB 4.32Å; W165-P649 HydrophobicContact CH2-CG 4.04Å; W165-P649 HydrophobicContact CZ3-CG 4.36Å; L598-P649 HydrophobicContact CD2-CB 3.92Å; P649-L651 HydrophobicContact CB-CD2 3.87Å; P649-L651 HydrophobicContact CB-CG 4.17Å; P649-L651 HydrophobicContact CG-CD2 3.83Å; P649-L651 HydrophobicContact CG-CG 4.21Å; P649-L651 PolarHBondContact O-N 2.85Å; P649-L651 VanDerWaalsContact O-N 3.12Å
650	R	73	Confident	76.2	Confident	32 Å²	32	21.1 Å²	21.1	12%	0.121	10%	0.103	C	C	.	.			trans	-77.9	18.8	177.6	-54.4	-174.5	76.6	105.3	30.6	113.6	G557 G596 T597 T599 L695 L696 S697 H698	G557-R650 PolarHBondContact O-NH1 3.29Å; G596-R650 WeakPolarHBondContact O-CD 3.39Å; T597-R650 WeakPolarHBondContact O-CB 3.05Å; T597-R650 WeakPolarHBondContact O-CG 3.49Å; T597-R650 PolarHBondContact O-N 2.99Å; T599-R650 HydrophobicContact CG2-CG 3.63Å; T599-R650 VanDerWaalsContact CG2-CZ 3.41Å; T599-R650 WeakPolarHBondContact OG1-CG 3.39Å; R650-L695 HydrophobicContact CB-CD2 4.25Å; R650-L696 VanDerWaalsContact CZ-O 3.26Å; R650-L696 PolarHBondContact NE-O 3.35Å; R650-L696 PolarHBondContact NH2-O 2.89Å; R650-L696 PolarHBondContact O-N 3.18Å; R650-L696 VanDerWaalsContact O-N 3.08Å; R650-S697 VanDerWaalsContact NH2-C 3.26Å; R650-S697 VanDerWaalsContact NH2-CA 3.34Å; R650-H698 VanDerWaalsContact NH2-N 3.12Å
651	L	74.6	Confident	75.8	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	143.5	-167.9	66.6	83.2	0	0	0	112.4	L76 P649 M653 G719 F720	L76-L651 HydrophobicContact CD1-CB 3.57Å; P649-L651 HydrophobicContact CB-CD2 3.87Å; P649-L651 HydrophobicContact CB-CG 4.17Å; P649-L651 HydrophobicContact CG-CD2 3.83Å; P649-L651 HydrophobicContact CG-CG 4.21Å; P649-L651 PolarHBondContact O-N 2.85Å; P649-L651 VanDerWaalsContact O-N 3.12Å; L651-M653 HydrophobicContact CD1-CB 3.97Å; L651-M653 HydrophobicContact CD1-CG 3.92Å; L651-G719 WeakPolarHBondContact O-CA 3.48Å; L651-G719 PolarHBondContact O-N 2.93Å; L651-G719 VanDerWaalsContact O-N 3.12Å; L651-F720 HydrophobicContact CD1-CD1 3.79Å; L651-F720 HydrophobicContact CD1-CE1 3.46Å; L651-F720 VanDerWaalsContact CD1-CE1 3.46Å; L651-F720 HydrophobicContact CD1-CE2 4.27Å; L651-F720 HydrophobicContact CD1-CG 4.31Å; L651-F720 HydrophobicContact CD1-CZ 3.73Å; L651-F720 HydrophobicContact CD2-CE1 4.05Å; L651-F720 HydrophobicContact CD2-CZ 3.8Å; L651-F720 HydrophobicContact CG-CE1 4.47Å; L651-F720 HydrophobicContact CG-CZ 4.43Å
652	L	74.6	Confident	75.3	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.8	155.3	175.8	59.9	0	0	0	107.7	V666 T692 P693 V694 L696 A702 L717 G719 I721	L652-V666 HydrophobicContact CD2-CG1 3.87Å; L652-V666 HydrophobicContact CD2-CG2 4.32Å; L652-T692 HydrophobicContact CD2-CG2 4.32Å; L652-T692 HydrophobicContact CG-CG2 4.12Å; L652-P693 WeakPolarHBondContact O-CA 3.34Å; L652-V694 PolarHBondContact N-O 3.37Å; L652-V694 PolarHBondContact O-N 3.24Å; L652-L696 HydrophobicContact CB-CD1 4.1Å; L652-L696 HydrophobicContact CB-CG 4.18Å; L652-L696 HydrophobicContact CD2-CD2 4.3Å; L652-A702 HydrophobicContact CD2-CB 3.48Å; L652-A702 VanDerWaalsContact CD2-CB 3.48Å; L652-L717 HydrophobicContact CD1-CB 4.26Å; L652-G719 WeakPolarHBondContact CA-O 3.46Å; L652-I721 HydrophobicContact CD1-CD1 3.47Å; L652-I721 VanDerWaalsContact CD1-CD1 3.47Å; L652-I721 HydrophobicContact CD1-CG1 3.98Å
653	M	75.8	Confident	75.2	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.02	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.6	178.3	-81.7	-70.5	-73.6	0	0	109.4	L651 F655 P661 P693 G719 F720 I721	L651-M653 HydrophobicContact CD1-CB 3.97Å; L651-M653 HydrophobicContact CD1-CG 3.92Å; M653-F655 HydrophobicContact CB-CZ 4.45Å; M653-F655 HydrophobicContact CE-CE1 4.05Å; M653-F655 HydrophobicContact CE-CZ 4.35Å; M653-P661 HydrophobicContact CE-CB 4.01Å; M653-P693 HydrophobicContact SD-CB 3.74Å; M653-P693 HydrophobicContact SD-CG 4.43Å; M653-G719 PolarHBondContact N-O 3.04Å; M653-F720 HydrophobicContact CB-CD1 3.65Å; M653-F720 HydrophobicContact CB-CE1 3.87Å; M653-F720 HydrophobicContact CG-CD1 4.41Å; M653-F720 HydrophobicContact CG-CE1 4.12Å; M653-I721 PolarHBondContact O-N 2.91Å
654	T	76.9	Confident	75	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128	179.9	41.3	0	0	0	0	110.7	P661 S662 T692 I721 L723	T654-P661 WeakPolarHBondContact O-CA 3.22Å; T654-S662 PolarHBondContact O-N 2.96Å; T654-S662 PolarHBondContact OG1-O 2.79Å; T654-T692 HydrophobicContact CG2-CG2 3.95Å; T654-T692 WeakPolarHBondContact OG1-CB 3.43Å; T654-T692 PolarHBondContact OG1-OG1 3.47Å; T654-I721 WeakPolarHBondContact CA-O 3.47Å; T654-I721 HydrophobicContact CG2-CB 4.38Å; T654-L723 HydrophobicContact CG2-CD1 3.6Å; T654-L723 HydrophobicContact CG2-CD2 4.23Å; T654-L723 HydrophobicContact CG2-CG 3.83Å
655	F	76.3	Confident	75.1	Confident	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.5	178	-60.9	-58	0	0	0	110.3	Y40 H72 M653 L659 K660 P661 F720 I721 L722 L723	Y40-F655 HydrophobicContact CE1-CE2 4.47Å; Y40-F655 HydrophobicContact CE2-CD2 4.15Å; Y40-F655 HydrophobicContact CE2-CE2 4.21Å; Y40-F655 AromaticContact CZ-CE2 3.8Å; Y40-F655 WeakPolarHBondContact OH-CE2 3.23Å; H72-F655 AromaticContact CD2-CZ 3.71Å; H72-F655 AromaticContact CE1-CZ 3.57Å; H72-F655 AromaticContact CG-CZ 3.94Å; H72-F655 AromaticContact ND1-CZ 3.85Å; H72-F655 AromaticContact NE2-CZ 3.46Å; H72-F655 WeakPolarHBondContact NE2-CZ 3.34Å; M653-F655 HydrophobicContact CB-CZ 4.45Å; M653-F655 HydrophobicContact CE-CE1 4.05Å; M653-F655 HydrophobicContact CE-CZ 4.35Å; F655-L659 WeakPolarHBondContact CD1-O 3.4Å; F655-K660 WeakPolarHBondContact CA-O 3.26Å; F655-P661 HydrophobicContact CD1-CB 4.31Å; F655-P661 HydrophobicContact CE1-CB 4.28Å; F655-F720 HydrophobicContact CD2-CB 4.43Å; F655-F720 HydrophobicContact CD2-CD1 4.38Å; F655-F720 HydrophobicContact CE2-CB 4.03Å; F655-F720 AromaticContact CE2-CD1 3.34Å; F655-F720 HydrophobicContact CE2-CD1 3.34Å; F655-F720 HydrophobicContact CE2-CE1 4.07Å; F655-F720 AromaticContact CE2-CG 3.94Å; F655-F720 HydrophobicContact CE2-CG 3.94Å; F655-F720 AromaticContact CZ-CD1 3.75Å; F655-F720 HydrophobicContact CZ-CD1 3.75Å; F655-F720 HydrophobicContact CZ-CE1 4.04Å; F655-I721 PolarHBondContact N-O 3.31Å; F655-L722 HydrophobicContact CB-CD2 3.84Å; F655-L722 WeakPolarHBondContact O-CA 3.45Å; F655-L723 PolarHBondContact O-N 2.91Å
656	D	73.5	Confident	75.2	Confident	29 Å²	29	33.8 Å²	33.8	16%	0.155	18%	0.178	C	C	.	.			trans	-78.7	174.4	168.1	-152.3	-19.1	0	0	0	111	D658 L659 K660 L722 K725	D656-D658 PolarHBondContact O-N 3.14Å; D656-L659 PolarHBondContact O-N 2.94Å; D656-K660 PolarHBondContact N-O 3.06Å; D656-L722 WeakPolarHBondContact O-CD2 3.32Å; D656-K725 IonicContact OD2-NZ 3.88Å; D656-K725 PolarHBondContact OD2-NZ 3.48Å
657	E	68.7	Low	75.3	Confident	65 Å²	65	38.1 Å²	38.1	30%	0.304	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.1	176.6	-60.7	-164.6	133.3	0	0	112.2	R36 L659 R724	R36-E657 PolarHBondContact NH1-O 2.66Å; E657-L659 VanDerWaalsContact C-N 3.33Å; E657-L659 PolarHBondContact O-N 2.9Å; E657-R724 HydrophobicContact CG-CG 4.4Å; E657-R724 WeakPolarHBondContact OE1-CD 3.45Å; E657-R724 WeakPolarHBondContact OE1-CG 3.35Å; E657-R724 IonicContact OE1-CZ 3.13Å; E657-R724 IonicContact OE1-NE 2.89Å; E657-R724 PolarHBondContact OE1-NE 3.09Å; E657-R724 IonicContact OE1-NH1 3.99Å; E657-R724 IonicContact OE1-NH2 3.14Å; E657-R724 PolarHBondContact OE1-NH2 3.44Å; E657-R724 VanDerWaalsContact OE1-NH2 3.14Å; E657-R724 IonicContact OE2-CZ 3.88Å; E657-R724 IonicContact OE2-NE 3.6Å; E657-R724 IonicContact OE2-NH2 3.32Å; E657-R724 PolarHBondContact OE2-NH2 2.78Å
658	D	63.4	Low	75.3	Confident	108 Å²	108	38.2 Å²	38.2	58%	0.578	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	6.4	175.9	-95.1	19.7	0	0	0	115.2	D656 K660	D656-D658 PolarHBondContact O-N 3.14Å; D658-K660 HydrophobicContact CB-CD 4.15Å; D658-K660 PolarHBondContact O-N 2.82Å; D658-K660 IonicContact OD2-NZ 2.85Å; D658-K660 PolarHBondContact OD2-NZ 2.91Å
659	L	65.4	Low	75.5	Confident	27 Å²	27	37.9 Å²	37.9	14%	0.141	19%	0.194	C	C	.	.	S	Bend	trans	62.6	3.1	-177.5	-49.9	-174.1	0	0	0	116.5	M63 F655 D656 E657 L722	M63-L659 HydrophobicContact CE-CD1 3.55Å; M63-L659 HydrophobicContact CE-CD2 3.48Å; M63-L659 VanDerWaalsContact CE-CD2 3.48Å; M63-L659 HydrophobicContact CE-CG 4.16Å; F655-L659 WeakPolarHBondContact CD1-O 3.4Å; D656-L659 PolarHBondContact O-N 2.94Å; E657-L659 VanDerWaalsContact C-N 3.33Å; E657-L659 PolarHBondContact O-N 2.9Å; L659-L722 HydrophobicContact CD2-CD2 3.93Å
660	K	73.4	Confident	75.7	Confident	127 Å²	127	43.8 Å²	43.8	55%	0.552	22%	0.221	S	C	*	.			trans	-75.8	139.5	174.8	-66	158.2	-166.3	153.2	0	110.2	F655 D656 D658 S662	F655-K660 WeakPolarHBondContact CA-O 3.26Å; D656-K660 PolarHBondContact N-O 3.06Å; D658-K660 HydrophobicContact CB-CD 4.15Å; D658-K660 PolarHBondContact O-N 2.82Å; D658-K660 IonicContact OD2-NZ 2.85Å; D658-K660 PolarHBondContact OD2-NZ 2.91Å; K660-S662 PolarHBondContact O-N 3.04Å
661	P	73.5	Confident	75.7	Confident	81 Å²	81	43.5 Å²	43.5	53%	0.526	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-62	128.8	173.2	26.4	-33.4	0	0	0	109.9	M653 T654 F655	M653-P661 HydrophobicContact CE-CB 4.01Å; T654-P661 WeakPolarHBondContact O-CA 3.22Å; F655-P661 HydrophobicContact CD1-CB 4.31Å; F655-P661 HydrophobicContact CE1-CB 4.28Å
662	S	72.4	Confident	75.7	Confident	21 Å²	21	45.6 Å²	45.6	15%	0.147	24%	0.238	C	C	.	.			trans	-116.1	119.3	179.7	-172.7	0	0	0	0	109	T654 K660 V664 T692	T654-S662 PolarHBondContact O-N 2.96Å; T654-S662 PolarHBondContact OG1-O 2.79Å; K660-S662 PolarHBondContact O-N 3.04Å; S662-V664 PolarHBondContact O-N 3.11Å; S662-T692 PolarHBondContact O-OG1 2.96Å
663	L	78.9	Confident	75.5	Confident	122 Å²	122	51 Å²	51	64%	0.639	27%	0.268	S	S	*	.			trans	-76.5	101.1	179.6	-57.4	177	0	0	0	109	T692	L663-T692 VanDerWaalsContact CD2-O 3.22Å; L663-T692 WeakPolarHBondContact CD2-O 3.22Å
664	V	80.1	Confident	75.3	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.036	28%	0.279	C	S	.	.			trans	-122	144.9	-175.6	179.6	0	0	0	0	110	S662 T692 L704 Y709 L723	S662-V664 PolarHBondContact O-N 3.11Å; V664-T692 PolarHBondContact N-OG1 3.05Å; V664-T692 PolarHBondContact O-N 3.02Å; V664-T692 PolarHBondContact O-OG1 3.03Å; V664-L704 HydrophobicContact CG1-CD2 3.65Å; V664-Y709 HydrophobicContact CG1-CD2 4.04Å; V664-Y709 HydrophobicContact CG1-CG 4.46Å; V664-Y709 HydrophobicContact CG2-CD2 3.97Å; V664-Y709 HydrophobicContact CG2-CE2 4.03Å; V664-Y709 HydrophobicContact CG2-CG 4.24Å; V664-L723 HydrophobicContact CB-CD1 3.86Å; V664-L723 HydrophobicContact CG1-CD1 4Å; V664-L723 HydrophobicContact CG2-CD1 3.62Å
665	T	82.9	Confident	74.7	Confident	53 Å²	53	58.8 Å²	58.8	33%	0.325	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.1	-179	55.7	0	0	0	0	111.3	H690 T691 A705 T706	T665-H690 WeakPolarHBondContact CA-O 3.35Å; T665-T691 HydrophobicContact CG2-CG2 3.98Å; T665-A705 WeakPolarHBondContact O-CB 3.4Å; T665-A705 PolarHBondContact O-N 2.79Å; T665-T706 WeakPolarHBondContact OG1-CG2 3.44Å
666	V	80.4	Confident	74.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.5	-176.9	170.2	0	0	0	0	109	L652 V668 T689 H690 T692 A702 E703 L704	L652-V666 HydrophobicContact CD2-CG1 3.87Å; L652-V666 HydrophobicContact CD2-CG2 4.32Å; V666-V668 HydrophobicContact CG1-CG2 3.81Å; V666-T689 WeakPolarHBondContact O-CA 3.23Å; V666-H690 PolarHBondContact N-O 3.26Å; V666-H690 PolarHBondContact O-N 2.82Å; V666-H690 VanDerWaalsContact O-O 3.12Å; V666-T692 HydrophobicContact CG2-CG2 3.73Å; V666-A702 HydrophobicContact CG1-CB 3.47Å; V666-A702 VanDerWaalsContact CG1-CB 3.47Å; V666-E703 CarbonylContact C-O 3.56Å; V666-E703 WeakPolarHBondContact CA-O 3.41Å; V666-L704 HydrophobicContact CG2-CD2 4.03Å
667	R	82.9	Confident	74.2	Confident	90 Å²	90	65.6 Å²	65.6	34%	0.34	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.4	166.7	-68.1	177.1	-169.8	119	11.5	107.8	I684 F687 Q688 T689 A702 E703 A705	R667-I684 VanDerWaalsContact O-CD1 3.3Å; R667-I684 WeakPolarHBondContact O-CD1 3.46Å; R667-F687 HydrophobicContact CB-CB 4.11Å; R667-F687 HydrophobicContact CB-CD2 4.45Å; R667-F687 HydrophobicContact CG-CD2 4.06Å; R667-Q688 WeakPolarHBondContact CA-O 3.19Å; R667-T689 HydrophobicContact CG-CG2 3.82Å; R667-A702 WeakPolarHBondContact O-CA 3.32Å; R667-E703 PolarHBondContact N-O 2.86Å; R667-E703 PolarHBondContact O-N 2.9Å; R667-A705 HydrophobicContact CG-CB 4.03Å; R667-A705 PolarHBondContact NH2-O 2.64Å
668	V	81.5	Confident	73.9	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.8	171.9	-176.7	0	0	0	0	108.8	V666 F687 Q688 V694 L696 E700 R701 A702	V666-V668 HydrophobicContact CG1-CG2 3.81Å; V668-F687 CarbonylContact O-C 3.52Å; V668-F687 VanDerWaalsContact O-CA 3.26Å; V668-F687 WeakPolarHBondContact O-CA 3.3Å; V668-Q688 PolarHBondContact N-O 3.38Å; V668-Q688 PolarHBondContact O-N 2.9Å; V668-V694 HydrophobicContact CG2-CB 4.42Å; V668-V694 HydrophobicContact CG2-CG1 3.95Å; V668-V694 HydrophobicContact CG2-CG2 4.48Å; V668-L696 HydrophobicContact CG1-CD2 3.79Å; V668-L696 HydrophobicContact CG2-CD2 3.97Å; V668-E700 HydrophobicContact CG1-CB 3.89Å; V668-E700 HydrophobicContact CG1-CG 4.26Å; V668-R701 WeakPolarHBondContact CA-O 3.26Å; V668-A702 HydrophobicContact CG2-CB 4.26Å
669	G	81.5	Confident	74.3	Confident	4 Å²	4	65.9 Å²	65.9	4%	0.041	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-179.6	174.8	0	0	0	0	0	112.2	A671 T685 E700 R701	G669-A671 PolarHBondContact O-N 3.03Å; G669-T685 CarbonylContact C-O 3.56Å; G669-E700 CarbonylContact O-C 3.39Å; G669-E700 VanDerWaalsContact O-CA 3.25Å; G669-E700 WeakPolarHBondContact O-CA 3.45Å; G669-R701 PolarHBondContact N-O 2.94Å; G669-R701 PolarHBondContact O-N 3.15Å
670	Q	79.9	Confident	74.4	Confident	134 Å²	134	76.3 Å²	76.3	63%	0.626	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.8	-173.5	-173.2	176.4	-13	0	0	112	I684 T685	Q670-I684 WeakPolarHBondContact O-CA 3.38Å; Q670-T685 PolarHBondContact N-O 3.02Å; Q670-T685 PolarHBondContact O-N 2.85Å
671	A	74	Confident	74	Confident	27 Å²	27	72.7 Å²	72.7	22%	0.223	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	134.5	173	0	0	0	0	0	111.9	G669 G699 R701	G669-A671 PolarHBondContact O-N 3.03Å; A671-G699 VanDerWaalsContact CB-O 3.3Å; A671-G699 WeakPolarHBondContact CB-O 3.5Å; A671-G699 PolarHBondContact N-O 2.95Å; A671-R701 HydrophobicContact CB-CG 3.89Å
672	V	74.2	Confident	73.8	Confident	45 Å²	45	74.9 Å²	74.9	27%	0.273	43%	0.431	S	S	.	.			trans	-129	144.9	173.2	169.4	0	0	0	0	110.1	T683 T685 R701	V672-T683 PolarHBondContact N-O 3.49Å; V672-T685 HydrophobicContact CB-CG2 4.3Å; V672-T685 HydrophobicContact CG2-CG2 3.61Å; V672-T685 VanDerWaalsContact CG2-OG1 3.23Å; V672-T685 WeakPolarHBondContact CG2-OG1 3.4Å; V672-R701 PolarHBondContact O-NH1 3.38Å
673	D	71.2	Confident	73.8	Confident	115 Å²	115	76.1 Å²	76.1	62%	0.615	44%	0.438	S	S	*	.			trans	-71.8	136.6	174.3	-167.1	6.3	0	0	0	111	V675 Q677	D673-V675 WeakPolarHBondContact OD1-CG2 3.44Å; D673-V675 PolarHBondContact OD1-N 3.21Å; D673-V675 VanDerWaalsContact OD1-N 3.11Å; D673-Q677 PolarHBondContact O-NE2 2.7Å
674	V	71.1	Confident	73.8	Confident	43 Å²	43	70.6 Å²	70.6	26%	0.261	41%	0.409	S	S	.	.			trans	-99.6	-17.1	-173.7	162.1	0	0	0	0	111.4	G676 Q677 P681 T683	V674-G676 PolarHBondContact O-N 2.69Å; V674-Q677 PolarHBondContact O-N 3.15Å; V674-P681 HydrophobicContact CB-CB 4.47Å; V674-P681 HydrophobicContact CG1-CB 3.65Å; V674-P681 HydrophobicContact CG1-CG 3.3Å; V674-P681 HydrophobicContact CG2-CB 4.21Å; V674-P681 HydrophobicContact CG2-CG 4.49Å; V674-T683 HydrophobicContact CG2-CG2 4.18Å
675	V	64.3	Low	73.7	Confident	129 Å²	129	73.7 Å²	73.7	78%	0.782	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	113.7	-179.1	178.1	0	0	0	0	110.7	D673	D673-V675 WeakPolarHBondContact OD1-CG2 3.44Å; D673-V675 PolarHBondContact OD1-N 3.21Å; D673-V675 VanDerWaalsContact OD1-N 3.11Å
676	G	66.5	Low	73.4	Confident	82 Å²	82	74.8 Å²	74.8	85%	0.845	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-7	-179.7	0	0	0	0	0	115.9	V674	V674-G676 PolarHBondContact O-N 2.69Å
677	Q	71.9	Confident	73.1	Confident	91 Å²	91	80 Å²	80	43%	0.425	47%	0.473	S	S	.	.			trans	-82.3	124.9	175.7	-63.1	-172.6	38.5	0	0	111.8	D673 V674 P681	D673-Q677 PolarHBondContact O-NE2 2.7Å; V674-Q677 PolarHBondContact O-N 3.15Å; Q677-P681 HydrophobicContact CB-CB 3.78Å
678	A	62.2	Low	73	Confident	107 Å²	107	81.4 Å²	81.4	88%	0.884	48%	0.483	S	S	*	.			trans	-89.2	129.6	178.7	0	0	0	0	0	112.6
679	G	71.7	Confident	73.1	Confident	72 Å²	72	85.1 Å²	85.1	74%	0.742	51%	0.506	S	S	*	.	S	Bend	trans	126.2	-140.6	174.4	0	0	0	0	0	113	P681	G679-P681 VanDerWaalsContact O-CD 3.23Å; G679-P681 WeakPolarHBondContact O-CD 3.42Å
680	R	67.3	Low	73.1	Confident	247 Å²	247	89.3 Å²	89.3	93%	0.932	52%	0.524	S	S	*	.	S	Bend	trans	-96.2	91.8	158.5	-74.5	-173.2	179.7	-175.4	0.3	107.5
681	P	65.1	Low	73.3	Confident	50 Å²	50	87.1 Å²	87.1	33%	0.325	52%	0.52	S	S	.	.			trans	-69.5	149.1	-176.9	30.1	-36.4	0	0	0	111.2	V674 Q677 G679	V674-P681 HydrophobicContact CB-CB 4.47Å; V674-P681 HydrophobicContact CG1-CB 3.65Å; V674-P681 HydrophobicContact CG1-CG 3.3Å; V674-P681 HydrophobicContact CG2-CB 4.21Å; V674-P681 HydrophobicContact CG2-CG 4.49Å; Q677-P681 HydrophobicContact CB-CB 3.78Å; G679-P681 VanDerWaalsContact O-CD 3.23Å; G679-P681 WeakPolarHBondContact O-CD 3.42Å
682	K	70.6	Confident	73.4	Confident	127 Å²	127	85.9 Å²	85.9	55%	0.552	51%	0.51	S	S	*	.			trans	-91.9	134.5	172.3	-64.8	-176.6	178.1	-177	0	108.9	I684	K682-I684 VanDerWaalsContact C-N 3.26Å
683	T	72.2	Confident	73.3	Confident	47 Å²	47	84.6 Å²	84.6	29%	0.288	50%	0.502	S	S	.	.	S	Bend	trans	-83.2	-8.2	178.9	73.9	0	0	0	0	112.7	V672 V674 R701 E703	V672-T683 PolarHBondContact N-O 3.49Å; V674-T683 HydrophobicContact CG2-CG2 4.18Å; T683-R701 PolarHBondContact O-NH1 2.87Å; T683-E703 WeakPolarHBondContact CA-OE1 3.46Å; T683-E703 WeakPolarHBondContact CB-OE1 3.38Å; T683-E703 PolarHBondContact N-OE1 2.75Å; T683-E703 PolarHBondContact OG1-OE1 3.35Å
684	I	77.7	Confident	73.5	Confident	7 Å²	7	79.6 Å²	79.6	4%	0.036	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.6	-173.5	-66.2	171.8	0	0	0	111.6	R667 Q670 K682 F687 R701 E703	R667-I684 VanDerWaalsContact O-CD1 3.3Å; R667-I684 WeakPolarHBondContact O-CD1 3.46Å; Q670-I684 WeakPolarHBondContact O-CA 3.38Å; K682-I684 VanDerWaalsContact C-N 3.26Å; I684-F687 HydrophobicContact CG2-CB 3.88Å; I684-R701 HydrophobicContact CD1-CB 4.16Å; I684-R701 WeakPolarHBondContact CD1-O 3.37Å; I684-R701 HydrophobicContact CG1-CB 3.79Å; I684-E703 HydrophobicContact CD1-CB 3.78Å; I684-E703 HydrophobicContact CD1-CG 3.56Å; I684-E703 HydrophobicContact CG1-CG 4.2Å
685	T	78.8	Confident	73.8	Confident	70 Å²	70	80 Å²	80	43%	0.429	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	159.5	159	58.3	0	0	0	0	111.5	G669 Q670 V672	G669-T685 CarbonylContact C-O 3.56Å; Q670-T685 PolarHBondContact N-O 3.02Å; Q670-T685 PolarHBondContact O-N 2.85Å; V672-T685 HydrophobicContact CB-CG2 4.3Å; V672-T685 HydrophobicContact CG2-CG2 3.61Å; V672-T685 VanDerWaalsContact CG2-OG1 3.23Å; V672-T685 WeakPolarHBondContact CG2-OG1 3.4Å
686	G	75.9	Confident	74.2	Confident	76 Å²	76	74.6 Å²	74.6	78%	0.784	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.5	43.8	179.2	0	0	0	0	0	113.6
687	F	75.5	Confident	74.5	Confident	109 Å²	109	73.5 Å²	73.5	48%	0.478	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.5	-172.9	64.1	-91.2	0	0	0	113.7	R667 V668 I684	R667-F687 HydrophobicContact CB-CB 4.11Å; R667-F687 HydrophobicContact CB-CD2 4.45Å; R667-F687 HydrophobicContact CG-CD2 4.06Å; V668-F687 CarbonylContact O-C 3.52Å; V668-F687 VanDerWaalsContact O-CA 3.26Å; V668-F687 WeakPolarHBondContact O-CA 3.3Å; I684-F687 HydrophobicContact CG2-CB 3.88Å
688	Q	81.2	Confident	74.3	Confident	121 Å²	121	72.6 Å²	72.6	57%	0.565	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	137.7	162.9	-175.2	170.6	-18.4	0	0	109.2	R667 V668 H690	R667-Q688 WeakPolarHBondContact CA-O 3.19Å; V668-Q688 PolarHBondContact N-O 3.38Å; V668-Q688 PolarHBondContact O-N 2.9Å; Q688-H690 PolarHBondContact NE2-NE2 3.23Å
689	T	83.3	Confident	74.7	Confident	85 Å²	85	69.4 Å²	69.4	52%	0.521	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122	174.2	44.9	0	0	0	0	110.6	V666 R667	V666-T689 WeakPolarHBondContact O-CA 3.23Å; R667-T689 HydrophobicContact CG-CG2 3.82Å
690	H	81.4	Confident	74.8	Confident	92 Å²	92	69 Å²	69	43%	0.426	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.1	171.8	-64.9	-89.6	0	0	0	109.5	T665 V666 Q688 V694	T665-H690 WeakPolarHBondContact CA-O 3.35Å; V666-H690 PolarHBondContact N-O 3.26Å; V666-H690 PolarHBondContact O-N 2.82Å; V666-H690 VanDerWaalsContact O-O 3.12Å; Q688-H690 PolarHBondContact NE2-NE2 3.23Å; H690-V694 HydrophobicContact CB-CG1 4.01Å; H690-V694 HydrophobicContact CB-CG2 3.75Å
691	T	83.1	Confident	75	Confident	87 Å²	87	59.2 Å²	59.2	53%	0.534	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	140.8	160.5	44.2	0	0	0	0	108.7	T665 V694	T665-T691 HydrophobicContact CG2-CG2 3.98Å; T691-V694 WeakPolarHBondContact O-CG2 3.37Å
692	T	76.7	Confident	75.5	Confident	2 Å²	2	57 Å²	57	1%	0.012	32%	0.324	C	S	.	.	S	Bend	trans	-62.2	145.3	164.6	44.8	0	0	0	0	110.4	L652 T654 S662 L663 V664 V666 V694	L652-T692 HydrophobicContact CD2-CG2 4.32Å; L652-T692 HydrophobicContact CG-CG2 4.12Å; T654-T692 HydrophobicContact CG2-CG2 3.95Å; T654-T692 WeakPolarHBondContact OG1-CB 3.43Å; T654-T692 PolarHBondContact OG1-OG1 3.47Å; S662-T692 PolarHBondContact O-OG1 2.96Å; L663-T692 VanDerWaalsContact CD2-O 3.22Å; L663-T692 WeakPolarHBondContact CD2-O 3.22Å; V664-T692 PolarHBondContact N-OG1 3.05Å; V664-T692 PolarHBondContact O-N 3.02Å; V664-T692 PolarHBondContact O-OG1 3.03Å; V666-T692 HydrophobicContact CG2-CG2 3.73Å; T692-V694 HydrophobicContact CG2-CG2 4.23Å
693	P	70.9	Confident	75.6	Confident	17 Å²	17	53.1 Å²	53.1	11%	0.11	31%	0.307	C	S	.	.	S	Bend	cis	-69	143.6	-0.2	26.4	-33.8	0	0	0	114.8	L76 E79 L652 M653	L76-P693 HydrophobicContact CD1-CB 4.19Å; L76-P693 HydrophobicContact CG-CB 4.41Å; E79-P693 HydrophobicContact CB-CG 3.88Å; E79-P693 HydrophobicContact CG-CG 4.45Å; E79-P693 WeakPolarHBondContact OE2-CD 3.46Å; L652-P693 WeakPolarHBondContact O-CA 3.34Å; M653-P693 HydrophobicContact SD-CB 3.74Å; M653-P693 HydrophobicContact SD-CG 4.43Å
694	V	76.3	Confident	75.9	Confident	11 Å²	11	52.1 Å²	52.1	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.2	172.9	-155.9	0	0	0	0	110.7	L652 V668 H690 T691 T692	L652-V694 PolarHBondContact N-O 3.37Å; L652-V694 PolarHBondContact O-N 3.24Å; V668-V694 HydrophobicContact CG2-CB 4.42Å; V668-V694 HydrophobicContact CG2-CG1 3.95Å; V668-V694 HydrophobicContact CG2-CG2 4.48Å; H690-V694 HydrophobicContact CB-CG1 4.01Å; H690-V694 HydrophobicContact CB-CG2 3.75Å; T691-V694 WeakPolarHBondContact O-CG2 3.37Å; T692-V694 HydrophobicContact CG2-CG2 4.23Å
695	L	76.7	Confident	75.6	Confident	50 Å²	50	52.7 Å²	52.7	26%	0.262	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.2	166.1	-61.1	177.9	0	0	0	109.1	L76 L80 T597 R650	L76-L695 HydrophobicContact CD1-CD2 4.13Å; L76-L695 HydrophobicContact CD2-CD2 4.32Å; L80-L695 HydrophobicContact CD1-CD1 3.93Å; L80-L695 HydrophobicContact CD1-CD2 4.22Å; L80-L695 HydrophobicContact CD1-CG 3.98Å; T597-L695 HydrophobicContact CG2-CD1 4.14Å; T597-L695 HydrophobicContact CG2-CD2 4.16Å; R650-L695 HydrophobicContact CB-CD2 4.25Å
696	L	73.9	Confident	75.2	Confident	16 Å²	16	50.9 Å²	50.9	8%	0.084	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-93.1	123.3	178.4	-60.7	174.2	0	0	0	111.1	R650 L652 V668 A702 L717 E718	R650-L696 VanDerWaalsContact CZ-O 3.26Å; R650-L696 PolarHBondContact NE-O 3.35Å; R650-L696 PolarHBondContact NH2-O 2.89Å; R650-L696 PolarHBondContact O-N 3.18Å; R650-L696 VanDerWaalsContact O-N 3.08Å; L652-L696 HydrophobicContact CB-CD1 4.1Å; L652-L696 HydrophobicContact CB-CG 4.18Å; L652-L696 HydrophobicContact CD2-CD2 4.3Å; V668-L696 HydrophobicContact CG1-CD2 3.79Å; V668-L696 HydrophobicContact CG2-CD2 3.97Å; L696-A702 HydrophobicContact CD2-CB 4.02Å; L696-L717 VanDerWaalsContact CD1-O 3.27Å; L696-L717 WeakPolarHBondContact CD1-O 3.29Å; L696-E718 HydrophobicContact CD1-CG 4.35Å
697	S	72.5	Confident	74.8	Confident	59 Å²	59	53.2 Å²	53.2	41%	0.413	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-74.2	165.4	174.2	-44.3	0	0	0	0	111.5	R650 G699 E700	R650-S697 VanDerWaalsContact NH2-C 3.26Å; R650-S697 VanDerWaalsContact NH2-CA 3.34Å; S697-G699 PolarHBondContact O-N 3.39Å; S697-E700 WeakPolarHBondContact CA-OE2 3.48Å; S697-E700 WeakPolarHBondContact CB-OE1 3.38Å; S697-E700 WeakPolarHBondContact CB-OE2 3.35Å; S697-E700 PolarHBondContact N-OE2 2.91Å; S697-E700 PolarHBondContact O-N 3.34Å; S697-E700 VanDerWaalsContact O-N 3.1Å; S697-E700 PolarHBondContact OG-OE1 2.76Å; S697-E700 VanDerWaalsContact OG-OE1 3.13Å; S697-E700 PolarHBondContact OG-OE2 3.03Å
698	H	67.8	Low	74.3	Confident	72 Å²	72	51.5 Å²	51.5	33%	0.333	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	110.9	-175.7	179.9	-57	0	0	0	110.8	N523 R650	N523-H698 PolarHBondContact ND2-CE1 3.24Å; N523-H698 PolarHBondContact ND2-ND1 3.29Å; R650-H698 VanDerWaalsContact NH2-N 3.12Å
699	G	70.4	Confident	73.6	Confident	40 Å²	40	47.5 Å²	47.5	41%	0.412	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	9.8	-177.2	0	0	0	0	0	114	A671 S697	A671-G699 VanDerWaalsContact CB-O 3.3Å; A671-G699 WeakPolarHBondContact CB-O 3.5Å; A671-G699 PolarHBondContact N-O 2.95Å; S697-G699 PolarHBondContact O-N 3.39Å
700	E	74.1	Confident	72.8	Confident	64 Å²	64	47.4 Å²	47.4	30%	0.299	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.2	160.4	-75.4	169.5	-176.9	0	0	109.9	V668 G669 S697	V668-E700 HydrophobicContact CG1-CB 3.89Å; V668-E700 HydrophobicContact CG1-CG 4.26Å; G669-E700 CarbonylContact O-C 3.39Å; G669-E700 VanDerWaalsContact O-CA 3.25Å; G669-E700 WeakPolarHBondContact O-CA 3.45Å; S697-E700 WeakPolarHBondContact CA-OE2 3.48Å; S697-E700 WeakPolarHBondContact CB-OE1 3.38Å; S697-E700 WeakPolarHBondContact CB-OE2 3.35Å; S697-E700 PolarHBondContact N-OE2 2.91Å; S697-E700 PolarHBondContact O-N 3.34Å; S697-E700 VanDerWaalsContact O-N 3.1Å; S697-E700 PolarHBondContact OG-OE1 2.76Å; S697-E700 VanDerWaalsContact OG-OE1 3.13Å; S697-E700 PolarHBondContact OG-OE2 3.03Å
701	R	71.1	Confident	72.1	Confident	41 Å²	41	45.1 Å²	45.1	16%	0.155	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	157.8	165.6	-78.7	176.6	-168.4	148.9	-0.8	109.2	D606 V668 G669 A671 V672 T683 I684	D606-R701 IonicContact OD1-CZ 2.91Å; D606-R701 IonicContact OD1-NE 2.85Å; D606-R701 PolarHBondContact OD1-NE 3.02Å; D606-R701 IonicContact OD1-NH2 3.86Å; D606-R701 PolarHBondContact OD1-NH2 3.06Å; D606-R701 IonicContact OD2-NE 2.82Å; D606-R701 IonicContact OD2-NH2 3.08Å; V668-R701 WeakPolarHBondContact CA-O 3.26Å; G669-R701 PolarHBondContact N-O 2.94Å; G669-R701 PolarHBondContact O-N 3.15Å; A671-R701 HydrophobicContact CB-CG 3.89Å; V672-R701 PolarHBondContact O-NH1 3.38Å; T683-R701 PolarHBondContact O-NH1 2.87Å; I684-R701 HydrophobicContact CD1-CB 4.16Å; I684-R701 WeakPolarHBondContact CD1-O 3.37Å; I684-R701 HydrophobicContact CG1-CB 3.79Å
702	A	75.2	Confident	70.9	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.033	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.2	170.7	0	0	0	0	0	110.7	L652 V666 R667 V668 L696 L717	L652-A702 HydrophobicContact CD2-CB 3.48Å; L652-A702 VanDerWaalsContact CD2-CB 3.48Å; V666-A702 HydrophobicContact CG1-CB 3.47Å; V666-A702 VanDerWaalsContact CG1-CB 3.47Å; R667-A702 WeakPolarHBondContact O-CA 3.32Å; V668-A702 HydrophobicContact CG2-CB 4.26Å; L696-A702 HydrophobicContact CD2-CB 4.02Å; A702-L717 HydrophobicContact CB-CB 3.78Å; A702-L717 HydrophobicContact CB-CD1 4.34Å; A702-L717 WeakPolarHBondContact O-CB 3.42Å; A702-L717 WeakPolarHBondContact O-CD1 3.37Å; A702-L717 VanDerWaalsContact O-CG 3.29Å; A702-L717 WeakPolarHBondContact O-CG 3.21Å
703	E	74	Confident	70.2	Confident	45 Å²	45	44.6 Å²	44.6	21%	0.21	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.4	168.2	-76.9	172	-175.4	0	0	108	V666 R667 T683 I684	V666-E703 CarbonylContact C-O 3.56Å; V666-E703 WeakPolarHBondContact CA-O 3.41Å; R667-E703 PolarHBondContact N-O 2.86Å; R667-E703 PolarHBondContact O-N 2.9Å; T683-E703 WeakPolarHBondContact CA-OE1 3.46Å; T683-E703 WeakPolarHBondContact CB-OE1 3.38Å; T683-E703 PolarHBondContact N-OE1 2.75Å; T683-E703 PolarHBondContact OG1-OE1 3.35Å; I684-E703 HydrophobicContact CD1-CB 3.78Å; I684-E703 HydrophobicContact CD1-CG 3.56Å; I684-E703 HydrophobicContact CG1-CG 4.2Å
704	L	76.7	Confident	69.3	Low	27 Å²	27	53.6 Å²	53.6	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.1	174.4	-72	152.4	0	0	0	110.5	V664 V666 P711 L717 L723	V664-L704 HydrophobicContact CG1-CD2 3.65Å; V666-L704 HydrophobicContact CG2-CD2 4.03Å; L704-P711 HydrophobicContact CD1-CB 3.91Å; L704-P711 HydrophobicContact CD1-CG 3.76Å; L704-L717 HydrophobicContact CD1-CD1 4.39Å; L704-L717 HydrophobicContact CG-CD1 4Å; L704-L723 HydrophobicContact CD1-CD2 3.69Å; L704-L723 HydrophobicContact CD2-CD1 4.04Å; L704-L723 HydrophobicContact CD2-CD2 4.07Å; L704-L723 HydrophobicContact CG-CD2 4.49Å
705	A	73	Confident	68.5	Low	18 Å²	18	56.1 Å²	56.1	15%	0.149	30%	0.3	C	S	.	.	S	Bend	trans	-87.9	-23.1	-178.4	0	0	0	0	0	113.2	T665 R667	T665-A705 WeakPolarHBondContact O-CB 3.4Å; T665-A705 PolarHBondContact O-N 2.79Å; R667-A705 HydrophobicContact CG-CB 4.03Å; R667-A705 PolarHBondContact NH2-O 2.64Å
706	T	69	Low	67.6	Low	32 Å²	32	55.2 Å²	55.2	20%	0.196	30%	0.297	C	S	.	.			trans	-120.2	127.6	-173.4	45.3	0	0	0	0	111.8	T665 E708	T665-T706 WeakPolarHBondContact OG1-CG2 3.44Å; T706-E708 PolarHBondContact O-N 2.86Å
707	D	67.4	Low	66.8	Low	125 Å²	125	55 Å²	55	67%	0.668	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-0	176.9	-61.6	-53.2	0	0	0	113.8	Y709 N726 Y729	D707-Y709 PolarHBondContact O-N 2.82Å; D707-N726 WeakPolarHBondContact O-CB 3.32Å; D707-N726 PolarHBondContact O-ND2 2.77Å; D707-Y729 HydrophobicContact CB-CD2 4.48Å
708	E	65.6	Low	66.3	Low	74 Å²	74	55.3 Å²	55.3	35%	0.346	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.7	171.3	-69.5	161.8	-136.1	0	0	113.3	T706 N726 Y729	T706-E708 PolarHBondContact O-N 2.86Å; E708-N726 WeakPolarHBondContact O-CB 3.27Å; E708-N726 PolarHBondContact O-N 3.06Å; E708-Y729 HydrophobicContact CB-CD2 4.48Å; E708-Y729 HydrophobicContact CG-CD1 3.9Å; E708-Y729 HydrophobicContact CG-CD2 3.97Å; E708-Y729 HydrophobicContact CG-CE1 3.6Å; E708-Y729 HydrophobicContact CG-CE2 3.66Å; E708-Y729 HydrophobicContact CG-CG 4.08Å; E708-Y729 VanDerWaalsContact CG-CZ 3.48Å
709	Y	67.7	Low	66.2	Low	37 Å²	37	51.9 Å²	51.9	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.6	-175.4	-67.6	-89.1	0	0	0	110.3	V664 D707 L723 R724 K725	V664-Y709 HydrophobicContact CG1-CD2 4.04Å; V664-Y709 HydrophobicContact CG1-CG 4.46Å; V664-Y709 HydrophobicContact CG2-CD2 3.97Å; V664-Y709 HydrophobicContact CG2-CE2 4.03Å; V664-Y709 HydrophobicContact CG2-CG 4.24Å; D707-Y709 PolarHBondContact O-N 2.82Å; Y709-L723 HydrophobicContact CD1-CB 3.98Å; Y709-L723 HydrophobicContact CD1-CD1 4.31Å; Y709-L723 HydrophobicContact CG-CB 4.48Å; Y709-L723 HydrophobicContact CG-CD1 4.24Å; Y709-R724 CarbonylContact C-O 3.57Å; Y709-R724 WeakPolarHBondContact CA-O 3.5Å; Y709-K725 HydrophobicContact CD1-CG 4.01Å; Y709-K725 HydrophobicContact CE1-CD 4.35Å; Y709-K725 HydrophobicContact CE1-CG 3.46Å; Y709-K725 VanDerWaalsContact CE1-CG 3.46Å; Y709-K725 WeakPolarHBondContact OH-CE 3.35Å
710	L	65.2	Low	66.1	Low	82 Å²	82	50.9 Å²	50.9	43%	0.429	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.4	171.7	-63.7	176.3	0	0	0	109.3	R724 N726	L710-R724 PolarHBondContact N-O 3.3Å; L710-R724 PolarHBondContact O-N 3.21Å; L710-N726 HydrophobicContact CD1-CB 4.3Å; L710-N726 HydrophobicContact CG-CB 4.02Å
711	P	66.9	Low	65.8	Low	45 Å²	45	48 Å²	48	29%	0.292	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.7	170.8	31.6	-30.4	0	0	0	108.7	L704 T713 L717 I721 L723	L704-P711 HydrophobicContact CD1-CB 3.91Å; L704-P711 HydrophobicContact CD1-CG 3.76Å; P711-T713 PolarHBondContact O-N 2.89Å; P711-L717 HydrophobicContact CB-CD2 4.05Å; P711-L717 HydrophobicContact CG-CD2 4.46Å; P711-I721 HydrophobicContact CB-CG2 4.27Å; P711-L723 HydrophobicContact CB-CD2 4.17Å
712	I	59	Low	65.8	Low	45 Å²	45	46.1 Å²	46.1	23%	0.231	24%	0.239	C	C	.	.	S	Bend	trans	-67.9	-21.4	-176.8	-66.6	-178.1	0	0	0	112	A33 I34 L722 R724	A33-I712 HydrophobicContact CB-CD1 3.45Å; A33-I712 VanDerWaalsContact CB-CD1 3.45Å; I34-I712 HydrophobicContact CB-CG2 4.46Å; I34-I712 HydrophobicContact CG1-CG2 3.56Å; I712-L722 HydrophobicContact CD1-CB 3.87Å; I712-L722 WeakPolarHBondContact CG1-O 3.23Å; I712-L722 PolarHBondContact N-O 2.88Å; I712-R724 HydrophobicContact CG1-CB 4.34Å
713	T	60.3	Low	65.5	Low	32 Å²	32	46 Å²	46	20%	0.196	24%	0.237	C	C	.	.			trans	-110	137.4	172.1	51.2	0	0	0	0	113.7	Q37 P711 L715	Q37-T713 VanDerWaalsContact CD-CG2 3.5Å; Q37-T713 HydrophobicContact CG-CG2 4.46Å; Q37-T713 PolarHBondContact NE2-OG1 2.61Å; Q37-T713 VanDerWaalsContact OE1-CG2 3.23Å; Q37-T713 PolarHBondContact OE1-OG1 3.32Å; P711-T713 PolarHBondContact O-N 2.89Å; T713-L715 HydrophobicContact CG2-CD1 3.76Å; T713-L715 HydrophobicContact CG2-CG 4.05Å; T713-L715 PolarHBondContact O-N 2.89Å; T713-L715 VanDerWaalsContact O-N 3.15Å
714	Q	53.5	Low	65.2	Low	207 Å²	207	46.5 Å²	46.5	97%	0.967	24%	0.238	S	C	*	.			trans	-75.5	18.2	162.3	-61.8	177.1	-17.3	0	0	113.4
715	L	58.5	Low	64.8	Low	63 Å²	63	50.4 Å²	50.4	33%	0.33	25%	0.253	S	S	.	.	S	Bend	trans	-85.2	151.7	-179.9	-57.7	175.8	0	0	0	109.3	T713 L717	T713-L715 HydrophobicContact CG2-CD1 3.76Å; T713-L715 HydrophobicContact CG2-CG 4.05Å; T713-L715 PolarHBondContact O-N 2.89Å; T713-L715 VanDerWaalsContact O-N 3.15Å; L715-L717 PolarHBondContact O-N 3.14Å
716	P	57.3	Low	64.5	Low	31 Å²	31	51 Å²	51	20%	0.201	25%	0.254	C	S	.	.			trans	-46.8	132.8	165.4	22.5	-37.8	0	0	0	110.6	R2 D606 E718	R2-P716 VanDerWaalsContact NH2-CD 3.34Å; D606-P716 WeakPolarHBondContact OD2-CG 3.25Å; P716-E718 PolarHBondContact O-N 2.94Å
717	L	58	Low	64.2	Low	13 Å²	13	54.1 Å²	54.1	7%	0.068	28%	0.275	C	S	.	.			trans	-76.3	85.9	-170.5	-57.8	-175.2	0	0	0	110.7	L652 L696 A702 L704 P711 L715 I721	L652-L717 HydrophobicContact CD1-CB 4.26Å; L696-L717 VanDerWaalsContact CD1-O 3.27Å; L696-L717 WeakPolarHBondContact CD1-O 3.29Å; A702-L717 HydrophobicContact CB-CB 3.78Å; A702-L717 HydrophobicContact CB-CD1 4.34Å; A702-L717 WeakPolarHBondContact O-CB 3.42Å; A702-L717 WeakPolarHBondContact O-CD1 3.37Å; A702-L717 VanDerWaalsContact O-CG 3.29Å; A702-L717 WeakPolarHBondContact O-CG 3.21Å; L704-L717 HydrophobicContact CD1-CD1 4.39Å; L704-L717 HydrophobicContact CG-CD1 4Å; P711-L717 HydrophobicContact CB-CD2 4.05Å; P711-L717 HydrophobicContact CG-CD2 4.46Å; L715-L717 PolarHBondContact O-N 3.14Å; L717-I721 HydrophobicContact CB-CD1 3.39Å; L717-I721 HydrophobicContact CD2-CD1 3.53Å; L717-I721 HydrophobicContact CD2-CG2 4.43Å; L717-I721 HydrophobicContact CG-CD1 3.96Å
718	E	61.7	Low	63.6	Low	64 Å²	64	55.7 Å²	55.7	30%	0.299	28%	0.278	S	S	.	.			trans	-121.4	129.4	176.9	-70.2	177.5	-159.4	0	0	111.2	S605 L696 P716	S605-E718 WeakPolarHBondContact CA-OE1 3.36Å; S605-E718 PolarHBondContact N-OE1 2.96Å; S605-E718 PolarHBondContact N-OE2 2.91Å; L696-E718 HydrophobicContact CD1-CG 4.35Å; P716-E718 PolarHBondContact O-N 2.94Å
719	G	66.1	Low	63.2	Low	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-135.4	174.9	0	0	0	0	0	114.6	R44 L651 L652 M653	R44-G719 VanDerWaalsContact NH1-CA 3.31Å; L651-G719 WeakPolarHBondContact O-CA 3.48Å; L651-G719 PolarHBondContact O-N 2.93Å; L651-G719 VanDerWaalsContact O-N 3.12Å; L652-G719 WeakPolarHBondContact CA-O 3.46Å; M653-G719 PolarHBondContact N-O 3.04Å
720	F	67.1	Low	62.3	Low	19 Å²	19	63 Å²	63	8%	0.083	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.1	-179	-61.6	-63.2	0	0	0	110.9	Y40 L69 H72 L651 M653 F655	Y40-F720 HydrophobicContact CD1-CB 3.9Å; Y40-F720 AromaticContact CD1-CD2 3.49Å; Y40-F720 HydrophobicContact CD1-CD2 3.49Å; Y40-F720 VanDerWaalsContact CD1-CD2 3.49Å; Y40-F720 HydrophobicContact CD1-CE2 4.28Å; Y40-F720 AromaticContact CD1-CG 3.88Å; Y40-F720 HydrophobicContact CD1-CG 3.88Å; Y40-F720 HydrophobicContact CD2-CB 3.97Å; Y40-F720 HydrophobicContact CE1-CB 4.2Å; Y40-F720 AromaticContact CE1-CD2 3.83Å; Y40-F720 HydrophobicContact CE1-CD2 3.83Å; Y40-F720 HydrophobicContact CE1-CE2 4.39Å; Y40-F720 AromaticContact CE1-CG 3.98Å; Y40-F720 HydrophobicContact CE1-CG 3.98Å; Y40-F720 HydrophobicContact CE2-CB 4.26Å; Y40-F720 HydrophobicContact CG-CB 3.76Å; Y40-F720 HydrophobicContact CG-CD2 4.15Å; Y40-F720 HydrophobicContact CG-CG 4.27Å; L69-F720 HydrophobicContact CD1-CE2 3.88Å; L69-F720 HydrophobicContact CD1-CZ 3.84Å; H72-F720 HydrophobicContact CB-CE1 3.75Å; H72-F720 HydrophobicContact CB-CZ 3.89Å; H72-F720 AromaticContact CD2-CE1 3.45Å; H72-F720 VanDerWaalsContact CD2-CE1 3.45Å; H72-F720 WeakPolarHBondContact CD2-CE1 3.24Å; H72-F720 AromaticContact CD2-CZ 3.55Å; H72-F720 AromaticContact CG-CE1 3.83Å; L651-F720 HydrophobicContact CD1-CD1 3.79Å; L651-F720 HydrophobicContact CD1-CE1 3.46Å; L651-F720 VanDerWaalsContact CD1-CE1 3.46Å; L651-F720 HydrophobicContact CD1-CE2 4.27Å; L651-F720 HydrophobicContact CD1-CG 4.31Å; L651-F720 HydrophobicContact CD1-CZ 3.73Å; L651-F720 HydrophobicContact CD2-CE1 4.05Å; L651-F720 HydrophobicContact CD2-CZ 3.8Å; L651-F720 HydrophobicContact CG-CE1 4.47Å; L651-F720 HydrophobicContact CG-CZ 4.43Å; M653-F720 HydrophobicContact CB-CD1 3.65Å; M653-F720 HydrophobicContact CB-CE1 3.87Å; M653-F720 HydrophobicContact CG-CD1 4.41Å; M653-F720 HydrophobicContact CG-CE1 4.12Å; F655-F720 HydrophobicContact CD2-CB 4.43Å; F655-F720 HydrophobicContact CD2-CD1 4.38Å; F655-F720 HydrophobicContact CE2-CB 4.03Å; F655-F720 AromaticContact CE2-CD1 3.34Å; F655-F720 HydrophobicContact CE2-CD1 3.34Å; F655-F720 HydrophobicContact CE2-CE1 4.07Å; F655-F720 AromaticContact CE2-CG 3.94Å; F655-F720 HydrophobicContact CE2-CG 3.94Å; F655-F720 AromaticContact CZ-CD1 3.75Å; F655-F720 HydrophobicContact CZ-CD1 3.75Å; F655-F720 HydrophobicContact CZ-CE1 4.04Å
721	I	68.4	Low	61.8	Low	4 Å²	4	66.1 Å²	66.1	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.7	-174.4	-50.9	-167.8	0	0	0	109.6	L652 M653 T654 F655 P711 L717 L723	L652-I721 HydrophobicContact CD1-CD1 3.47Å; L652-I721 VanDerWaalsContact CD1-CD1 3.47Å; L652-I721 HydrophobicContact CD1-CG1 3.98Å; M653-I721 PolarHBondContact O-N 2.91Å; T654-I721 WeakPolarHBondContact CA-O 3.47Å; T654-I721 HydrophobicContact CG2-CB 4.38Å; F655-I721 PolarHBondContact N-O 3.31Å; P711-I721 HydrophobicContact CB-CG2 4.27Å; L717-I721 HydrophobicContact CB-CD1 3.39Å; L717-I721 HydrophobicContact CD2-CD1 3.53Å; L717-I721 HydrophobicContact CD2-CG2 4.43Å; L717-I721 HydrophobicContact CG-CD1 3.96Å; I721-L723 HydrophobicContact CG2-CD2 4Å; I721-L723 PolarHBondContact O-N 3.33Å
722	L	71.6	Confident	60.6	Low	1 Å²	1	69.8 Å²	69.8	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.1	168	-73	163.6	0	0	0	108.3	A33 R36 Q37 F655 D656 L659 I712	A33-L722 WeakPolarHBondContact O-CD1 3.4Å; R36-L722 HydrophobicContact CB-CD1 3.52Å; Q37-L722 HydrophobicContact CB-CD1 4.18Å; F655-L722 HydrophobicContact CB-CD2 3.84Å; F655-L722 WeakPolarHBondContact O-CA 3.45Å; D656-L722 WeakPolarHBondContact O-CD2 3.32Å; L659-L722 HydrophobicContact CD2-CD2 3.93Å; I712-L722 HydrophobicContact CD1-CB 3.87Å; I712-L722 WeakPolarHBondContact CG1-O 3.23Å; I712-L722 PolarHBondContact N-O 2.88Å
723	L	69.3	Low	59.5	Low	1 Å²	1	74.4 Å²	74.4	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.5	171.2	-63.3	-173	0	0	0	109	T654 F655 V664 L704 Y709 P711 I721	T654-L723 HydrophobicContact CG2-CD1 3.6Å; T654-L723 HydrophobicContact CG2-CD2 4.23Å; T654-L723 HydrophobicContact CG2-CG 3.83Å; F655-L723 PolarHBondContact O-N 2.91Å; V664-L723 HydrophobicContact CB-CD1 3.86Å; V664-L723 HydrophobicContact CG1-CD1 4Å; V664-L723 HydrophobicContact CG2-CD1 3.62Å; L704-L723 HydrophobicContact CD1-CD2 3.69Å; L704-L723 HydrophobicContact CD2-CD1 4.04Å; L704-L723 HydrophobicContact CD2-CD2 4.07Å; L704-L723 HydrophobicContact CG-CD2 4.49Å; Y709-L723 HydrophobicContact CD1-CB 3.98Å; Y709-L723 HydrophobicContact CD1-CD1 4.31Å; Y709-L723 HydrophobicContact CG-CB 4.48Å; Y709-L723 HydrophobicContact CG-CD1 4.24Å; P711-L723 HydrophobicContact CB-CD2 4.17Å; I721-L723 HydrophobicContact CG2-CD2 4Å; I721-L723 PolarHBondContact O-N 3.33Å
724	R	67.6	Low	58.3	Low	57 Å²	57	86.1 Å²	86.1	22%	0.215	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.1	172.3	-177.9	172.9	-153.6	161	28.8	109.7	R28 E657 Y709 L710 I712 N726	R28-R724 PolarHBondContact O-NH1 2.8Å; E657-R724 HydrophobicContact CG-CG 4.4Å; E657-R724 WeakPolarHBondContact OE1-CD 3.45Å; E657-R724 WeakPolarHBondContact OE1-CG 3.35Å; E657-R724 IonicContact OE1-CZ 3.13Å; E657-R724 IonicContact OE1-NE 2.89Å; E657-R724 PolarHBondContact OE1-NE 3.09Å; E657-R724 IonicContact OE1-NH1 3.99Å; E657-R724 IonicContact OE1-NH2 3.14Å; E657-R724 PolarHBondContact OE1-NH2 3.44Å; E657-R724 VanDerWaalsContact OE1-NH2 3.14Å; E657-R724 IonicContact OE2-CZ 3.88Å; E657-R724 IonicContact OE2-NE 3.6Å; E657-R724 IonicContact OE2-NH2 3.32Å; E657-R724 PolarHBondContact OE2-NH2 2.78Å; Y709-R724 CarbonylContact C-O 3.57Å; Y709-R724 WeakPolarHBondContact CA-O 3.5Å; L710-R724 PolarHBondContact N-O 3.3Å; L710-R724 PolarHBondContact O-N 3.21Å; I712-R724 HydrophobicContact CG1-CB 4.34Å; R724-N726 PolarHBondContact O-N 2.87Å
725	K	66.6	Low	58.6	Low	109 Å²	109	80.1 Å²	80.1	47%	0.474	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	126.3	170.1	-72.1	177.5	174.1	114.6	0	110.3	D656 Y709 P727	D656-K725 IonicContact OD2-NZ 3.88Å; D656-K725 PolarHBondContact OD2-NZ 3.48Å; Y709-K725 HydrophobicContact CD1-CG 4.01Å; Y709-K725 HydrophobicContact CE1-CD 4.35Å; Y709-K725 HydrophobicContact CE1-CG 3.46Å; Y709-K725 VanDerWaalsContact CE1-CG 3.46Å; Y709-K725 WeakPolarHBondContact OH-CE 3.35Å; K725-P727 WeakPolarHBondContact O-CD 3.39Å
726	N	68.7	Low	58.6	Low	30 Å²	30	81 Å²	81	16%	0.16	39%	0.394	C	S	.	.			trans	-72.7	116.1	-174	-176	-1.6	0	0	0	110.3	D707 E708 L710 R724 E728 Y729	D707-N726 WeakPolarHBondContact O-CB 3.32Å; D707-N726 PolarHBondContact O-ND2 2.77Å; E708-N726 WeakPolarHBondContact O-CB 3.27Å; E708-N726 PolarHBondContact O-N 3.06Å; L710-N726 HydrophobicContact CD1-CB 4.3Å; L710-N726 HydrophobicContact CG-CB 4.02Å; R724-N726 PolarHBondContact O-N 2.87Å; N726-E728 PolarHBondContact O-N 3.26Å; N726-E728 VanDerWaalsContact O-N 3.14Å; N726-E728 PolarHBondContact OD1-N 3.14Å; N726-Y729 PolarHBondContact O-N 3.07Å
727	P	61.5	Low	58.6	Low	97 Å²	97	83.8 Å²	83.8	63%	0.63	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-3.5	-179.1	32.1	-37	0	0	0	113.8	K725	K725-P727 WeakPolarHBondContact O-CD 3.39Å
728	E	55.9	Low	58.7	Low	158 Å²	158	87.9 Å²	87.9	74%	0.738	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	5.9	178.2	-62	177	-173.3	0	0	112.4	N726 E730	N726-E728 PolarHBondContact O-N 3.26Å; N726-E728 VanDerWaalsContact O-N 3.14Å; N726-E728 PolarHBondContact OD1-N 3.14Å; E728-E730 PolarHBondContact O-N 3.47Å
729	Y	56	Low	58.5	Low	91 Å²	91	89.4 Å²	89.4	36%	0.357	43%	0.432	S	S	.	.			trans	-88.5	103.8	176.4	-170.4	-85.6	0	0	0	111.3	D707 E708 N726 E731	D707-Y729 HydrophobicContact CB-CD2 4.48Å; E708-Y729 HydrophobicContact CB-CD2 4.48Å; E708-Y729 HydrophobicContact CG-CD1 3.9Å; E708-Y729 HydrophobicContact CG-CD2 3.97Å; E708-Y729 HydrophobicContact CG-CE1 3.6Å; E708-Y729 HydrophobicContact CG-CE2 3.66Å; E708-Y729 HydrophobicContact CG-CG 4.08Å; E708-Y729 VanDerWaalsContact CG-CZ 3.48Å; N726-Y729 PolarHBondContact O-N 3.07Å; Y729-E731 HydrophobicContact CE1-CG 4.15Å
730	E	49.3	Very low	58	Low	173 Å²	173	95.4 Å²	95.4	81%	0.808	46%	0.461	S	S	*	.			trans	-81.2	127.2	162.2	-68.6	-171.6	149.1	0	0	109.8	E728 T732	E728-E730 PolarHBondContact O-N 3.47Å; E730-T732 PolarHBondContact O-N 3.03Å
731	E	53.5	Low	57.3	Low	149 Å²	149	100.9 Å²	100.9	70%	0.696	49%	0.487	S	S	*	.			trans	-61.5	105.9	169.8	-73.4	-176.1	160.1	0	0	109.9	Y729 N733	Y729-E731 HydrophobicContact CE1-CG 4.15Å; E731-N733 PolarHBondContact O-N 2.81Å; E731-N733 PolarHBondContact O-ND2 2.98Å
732	T	42.9	Very low	56.5	Low	121 Å²	121	108.3 Å²	108.3	74%	0.742	52%	0.523	S	S	*	.			trans	-74.6	76	174.6	38	0	0	0	0	110.3	E730 K734	E730-T732 PolarHBondContact O-N 3.03Å; T732-K734 PolarHBondContact O-N 3.49Å
733	N	36.6	Very low	55.2	Low	142 Å²	142	117.3 Å²	117.3	76%	0.759	57%	0.567	S	S	*	*			trans	-47.6	133.3	174.7	-81.2	-90.2	0	0	0	111	E731	E731-N733 PolarHBondContact O-N 2.81Å; E731-N733 PolarHBondContact O-ND2 2.98Å
734	K	34.6	Very low	53.9	Low	279 Å²	279	127.8 Å²	127.8	100%	1.213	62%	0.618	S	S	*	*			trans	-98.9	0	174.9	-78.3	-177.2	175.5	174.5	0	111.4	T732	T732-K734 PolarHBondContact O-N 3.49Å

Retrieved 734 of 734 residues in 2064.6 ms (Link to these results)

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