A0A077ZEX2_TRITR Loading...

RRM 1 and PWI domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 459 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	78	Confident	85.4	Confident	127 Å²	127	34.4 Å²	34.4	63%	0.626	17%	0.17	S	C	*	.				0	126	0	-175.9	161.3	-175.3	0	0	110	M29 E48 Y49 D50	M1-M29 HydrophobicContact CB-CE 3.64Å; M1-M29 HydrophobicContact CE-CE 3.99Å; M1-M29 HydrophobicContact CG-CE 3.28Å; M1-M29 HydrophobicContact SD-CE 3.51Å; M1-M29 VanDerWaalsContact SD-CE 3.51Å; M1-E48 HydrophobicContact CE-CB 3.88Å; M1-E48 HydrophobicContact CE-CG 3.9Å; M1-E48 WeakPolarHBondContact CE-OE2 3.27Å; M1-Y49 VanDerWaalsContact CA-O 3.31Å; M1-Y49 WeakPolarHBondContact CA-O 3.26Å; M1-D50 PolarHBondContact N-O 2.81Å; M1-D50 VanDerWaalsContact N-O 3.14Å
2	T	83.3	Confident	85	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	133.9	174.8	46.5	0	0	0	0	108.6	Y49 P52 T55 L84	T2-Y49 PolarHBondContact N-O 2.97Å; T2-Y49 VanDerWaalsContact N-O 3.07Å; T2-Y49 PolarHBondContact O-N 3.29Å; T2-P52 HydrophobicContact CG2-CB 4.39Å; T2-T55 PolarHBondContact OG1-OG1 3.49Å; T2-L84 HydrophobicContact CG2-CD2 4.17Å
3	T	86.2	Confident	84.9	Confident	16 Å²	16	43.1 Å²	43.1	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.7	177.2	59.9	0	0	0	0	110.2	C47 E48 C76 D77 N80	T3-C47 CarbonylContact C-O 3.42Å; T3-E48 HydrophobicContact CG2-CG 4.04Å; T3-C76 PolarHBondContact O-SG 3.48Å; T3-D77 PolarHBondContact OG1-OD2 2.9Å; T3-N80 PolarHBondContact N-ND2 3.08Å; T3-N80 VanDerWaalsContact N-ND2 3.17Å; T3-N80 PolarHBondContact O-ND2 3.18Å; T3-N80 PolarHBondContact OG1-ND2 3.45Å
4	V	87.1	Confident	85	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123	179.5	-171.7	0	0	0	0	108.6	C47 Y49 T55 L59 L74 K75	V4-C47 HydrophobicContact CB-CB 4.45Å; V4-C47 PolarHBondContact N-O 3.18Å; V4-C47 PolarHBondContact O-N 3.21Å; V4-Y49 HydrophobicContact CB-CE2 4.49Å; V4-Y49 HydrophobicContact CG2-CD2 3.67Å; V4-Y49 HydrophobicContact CG2-CE2 3.95Å; V4-T55 HydrophobicContact CG2-CG2 3.41Å; V4-T55 VanDerWaalsContact CG2-CG2 3.41Å; V4-L59 HydrophobicContact CG1-CD2 4.45Å; V4-L74 HydrophobicContact CG1-CB 4.36Å; V4-L74 HydrophobicContact CG1-CD2 4.03Å; V4-L74 HydrophobicContact CG1-CG 4.35Å; V4-K75 CarbonylContact C-O 3.53Å
5	F	88.2	Confident	85.1	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.066	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.7	169.6	174.3	-101.2	0	0	0	109.5	F44 F46 L74 K75 E397	F5-F44 HydrophobicContact CE2-CB 3.72Å; F5-F44 AromaticContact CE2-CD2 3.8Å; F5-F44 HydrophobicContact CE2-CD2 3.8Å; F5-F44 HydrophobicContact CE2-CG 4.06Å; F5-F44 HydrophobicContact CZ-CB 3.81Å; F5-F44 HydrophobicContact CZ-CG 4.41Å; F5-F46 HydrophobicContact CB-CE1 4.31Å; F5-F46 HydrophobicContact CD2-CD1 4.32Å; F5-F46 AromaticContact CD2-CE1 3.51Å; F5-F46 HydrophobicContact CD2-CE1 3.51Å; F5-F46 AromaticContact CD2-CZ 3.63Å; F5-F46 HydrophobicContact CD2-CZ 3.63Å; F5-F46 HydrophobicContact CE2-CE1 4.34Å; F5-F46 HydrophobicContact CE2-CZ 4.02Å; F5-F46 HydrophobicContact CG-CE1 4.4Å; F5-L74 CarbonylContact O-C 3.43Å; F5-L74 VanDerWaalsContact O-CA 3.26Å; F5-L74 WeakPolarHBondContact O-CA 3.35Å; F5-K75 HydrophobicContact CB-CB 4.37Å; F5-K75 HydrophobicContact CD1-CB 4.25Å; F5-K75 HydrophobicContact CD1-CD 4.46Å; F5-K75 PolarHBondContact N-O 2.85Å; F5-K75 PolarHBondContact O-N 2.85Å; F5-E397 HydrophobicContact CE1-CG 4Å; F5-E397 VanDerWaalsContact CE1-OE2 3.3Å; F5-E397 WeakPolarHBondContact CE1-OE2 3.39Å; F5-E397 HydrophobicContact CZ-CG 4.06Å; F5-E397 WeakPolarHBondContact CZ-OE2 3.27Å
6	V	89.1	Confident	85.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.7	174.8	-175.3	0	0	0	0	107.7	I9 I18 L22 W31 F44 G45 C47 L74	V6-I9 HydrophobicContact CG1-CD1 4.1Å; V6-I9 HydrophobicContact CG1-CG1 4.21Å; V6-I18 HydrophobicContact CG1-CG2 4.48Å; V6-L22 HydrophobicContact CG2-CD1 4.33Å; V6-L22 HydrophobicContact CG2-CD2 4.03Å; V6-W31 HydrophobicContact CB-CH2 4.01Å; V6-W31 HydrophobicContact CB-CZ3 4.06Å; V6-W31 HydrophobicContact CG1-CH2 4.37Å; V6-W31 HydrophobicContact CG2-CH2 4.19Å; V6-W31 HydrophobicContact CG2-CZ3 3.79Å; V6-F44 CarbonylContact O-C 3.6Å; V6-F44 WeakPolarHBondContact O-CA 3.32Å; V6-G45 PolarHBondContact N-O 2.92Å; V6-G45 PolarHBondContact O-N 3.08Å; V6-C47 HydrophobicContact CG2-CB 4.39Å; V6-L74 HydrophobicContact CG1-CD1 4.04Å; V6-L74 HydrophobicContact CG1-CG 4.41Å; V6-L74 HydrophobicContact CG2-CD2 4.3Å; V6-L74 HydrophobicContact CG2-CG 4.08Å
7	G	87.4	Confident	85.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	172.8	-176.9	0	0	0	0	0	114.2	I9 A43 V73	G7-I9 VanDerWaalsContact C-N 3.27Å; G7-I9 PolarHBondContact O-N 3.3Å; G7-A43 CarbonylContact C-O 3.53Å; G7-V73 PolarHBondContact N-O 3.46Å; G7-V73 PolarHBondContact O-N 2.81Å
8	N	86.5	Confident	85.9	Confident	54 Å²	54	41.8 Å²	41.8	29%	0.289	20%	0.204	S	C	.	.			trans	57.8	32.2	177.3	-156.4	34	0	0	0	115.2	H10 A43 K71 V73	N8-H10 PolarHBondContact O-N 2.57Å; N8-A43 PolarHBondContact N-O 3.44Å; N8-K71 WeakPolarHBondContact CB-O 3.47Å; N8-K71 PolarHBondContact ND2-O 2.81Å; N8-V73 HydrophobicContact CB-CB 4.47Å; N8-V73 HydrophobicContact CB-CG2 4Å
9	I	87	Confident	86.1	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.214	C	C	.	.			trans	-68.1	129.7	176.6	-53.2	167.2	0	0	0	109.6	V6 G7 V13 I18 W31 A43 L72	V6-I9 HydrophobicContact CG1-CD1 4.1Å; V6-I9 HydrophobicContact CG1-CG1 4.21Å; G7-I9 VanDerWaalsContact C-N 3.27Å; G7-I9 PolarHBondContact O-N 3.3Å; I9-V13 HydrophobicContact CG2-CB 4.14Å; I9-V13 HydrophobicContact CG2-CG1 4.04Å; I9-I18 HydrophobicContact CD1-CG1 4.49Å; I9-I18 HydrophobicContact CG2-CD1 4.12Å; I9-I18 HydrophobicContact CG2-CG1 3.99Å; I9-W31 HydrophobicContact CD1-CH2 4.37Å; I9-A43 WeakPolarHBondContact CG1-O 3.29Å; I9-A43 PolarHBondContact N-O 2.82Å; I9-A43 WeakPolarHBondContact O-CA 3.34Å; I9-A43 VanDerWaalsContact O-CB 3.31Å; I9-A43 WeakPolarHBondContact O-CB 3.49Å; I9-L72 HydrophobicContact CB-CD2 4.32Å; I9-L72 HydrophobicContact CG1-CD2 3.81Å
10	H	84.9	Confident	86.4	Confident	22 Å²	22	42.8 Å²	42.8	10%	0.102	21%	0.209	C	C	.	.			trans	-66.3	141.1	177.8	-168	-88.1	0	0	0	112.1	N8 R12 V13 L67 D69	N8-H10 PolarHBondContact O-N 2.57Å; H10-R12 VanDerWaalsContact C-N 3.25Å; H10-R12 PolarHBondContact ND1-N 3.37Å; H10-R12 PolarHBondContact O-N 2.78Å; H10-V13 HydrophobicContact CB-CG2 3.87Å; H10-V13 WeakPolarHBondContact O-CB 3.15Å; H10-V13 PolarHBondContact O-N 3.25Å; H10-L67 WeakPolarHBondContact CB-O 3.47Å; H10-D69 IonicContact NE2-OD2 3.93Å
11	E	81.6	Confident	86.5	Confident	135 Å²	135	40.9 Å²	40.9	63%	0.631	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.7	-174.9	-174.2	175.3	-176.9	0	0	112.5	V13 K40	E11-V13 PolarHBondContact O-N 3.01Å; E11-K40 IonicContact OE1-NZ 2.87Å; E11-K40 PolarHBondContact OE1-NZ 3.38Å
12	R	80.7	Confident	87.2	Confident	177 Å²	177	34.9 Å²	34.9	67%	0.668	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.5	178.1	-57.9	-177.4	-177.1	168.2	1.1	114.6	H10 L135	H10-R12 VanDerWaalsContact C-N 3.25Å; H10-R12 PolarHBondContact ND1-N 3.37Å; H10-R12 PolarHBondContact O-N 2.78Å; R12-L135 HydrophobicContact CB-CD2 3.42Å; R12-L135 VanDerWaalsContact CB-CD2 3.42Å; R12-L135 HydrophobicContact CG-CD2 4.24Å
13	V	84	Confident	87.6	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	19%	0.192	C	C	.	.	S	Bend	trans	-82.9	124.4	-178.3	165.7	0	0	0	0	109.5	I9 H10 E11 L17 I18 R33 L67 L135	I9-V13 HydrophobicContact CG2-CB 4.14Å; I9-V13 HydrophobicContact CG2-CG1 4.04Å; H10-V13 HydrophobicContact CB-CG2 3.87Å; H10-V13 WeakPolarHBondContact O-CB 3.15Å; H10-V13 PolarHBondContact O-N 3.25Å; E11-V13 PolarHBondContact O-N 3.01Å; V13-L17 HydrophobicContact CG1-CB 4.43Å; V13-L17 HydrophobicContact CG1-CD2 4.15Å; V13-L17 HydrophobicContact CG1-CG 4.47Å; V13-I18 HydrophobicContact CG1-CD1 3.68Å; V13-I18 HydrophobicContact CG1-CG1 3.58Å; V13-R33 PolarHBondContact O-NH1 2.85Å; V13-L67 HydrophobicContact CB-CD2 4.03Å; V13-L67 HydrophobicContact CG1-CD2 3.61Å; V13-L67 HydrophobicContact CG2-CD2 3.43Å; V13-L67 VanDerWaalsContact CG2-CD2 3.43Å; V13-L67 HydrophobicContact CG2-CG 3.71Å; V13-L135 HydrophobicContact CG2-CD1 4.02Å
14	S	85.7	Confident	87.7	Confident	54 Å²	54	43.6 Å²	43.6	38%	0.378	21%	0.209	S	C	.	.			trans	-66	147.6	176.5	64.7	0	0	0	0	111.4	D16 L17 I18	S14-D16 PolarHBondContact O-N 3.13Å; S14-L17 PolarHBondContact O-N 2.83Å; S14-L17 WeakPolarHBondContact OG-CB 3.29Å; S14-L17 PolarHBondContact OG-N 3.23Å; S14-I18 PolarHBondContact O-N 3.47Å
15	N	87.4	Confident	87.7	Confident	29 Å²	29	43.6 Å²	43.6	16%	0.155	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-33.6	174.8	-178.7	62.2	0	0	0	111.9	I18 K19 W31 R33 Y41	N15-I18 PolarHBondContact O-N 2.82Å; N15-K19 WeakPolarHBondContact O-CB 3.39Å; N15-K19 PolarHBondContact O-N 2.68Å; N15-W31 PolarHBondContact OD1-NE1 3.43Å; N15-R33 VanDerWaalsContact OD1-CB 3.25Å; N15-R33 WeakPolarHBondContact OD1-CB 3.34Å; N15-Y41 HydrophobicContact CB-CE1 4.39Å; N15-Y41 HydrophobicContact CB-CE2 4.15Å
16	D	89.5	Confident	87.7	Confident	105 Å²	105	43.8 Å²	43.8	56%	0.561	22%	0.215	S	C	*	.	H	α-helix	trans	-68.7	-35.7	-179.2	-58.9	-43.5	0	0	0	112.6	S14 K19 A20	S14-D16 PolarHBondContact O-N 3.13Å; D16-K19 PolarHBondContact O-N 2.89Å; D16-A20 VanDerWaalsContact O-CB 3.23Å; D16-A20 WeakPolarHBondContact O-CB 3.45Å; D16-A20 PolarHBondContact O-N 3.26Å
17	L	89	Confident	87.8	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-49.7	174.2	173.9	57.2	0	0	0	110.9	V13 S14 K19 A20 M21 V128 M131 A132	V13-L17 HydrophobicContact CG1-CB 4.43Å; V13-L17 HydrophobicContact CG1-CD2 4.15Å; V13-L17 HydrophobicContact CG1-CG 4.47Å; S14-L17 PolarHBondContact O-N 2.83Å; S14-L17 WeakPolarHBondContact OG-CB 3.29Å; S14-L17 PolarHBondContact OG-N 3.23Å; L17-K19 PolarHBondContact O-N 2.77Å; L17-A20 PolarHBondContact O-N 2.86Å; L17-M21 HydrophobicContact CD1-CG 4.15Å; L17-M21 HydrophobicContact CD1-SD 4.15Å; L17-M21 HydrophobicContact CG-SD 4.17Å; L17-M21 VanDerWaalsContact O-CG 3.29Å; L17-M21 WeakPolarHBondContact O-CG 3.49Å; L17-M21 PolarHBondContact O-N 2.88Å; L17-V128 HydrophobicContact CD1-CG2 4.37Å; L17-M131 HydrophobicContact CD1-CB 4.01Å; L17-M131 HydrophobicContact CD1-CE 3.89Å; L17-A132 HydrophobicContact CD2-CB 3.51Å
18	I	90.2	Very high	88	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-45.3	178.1	-62	-60.2	0	0	0	110.8	V6 I9 V13 S14 N15 A20 M21 L22 W31 L67 L72	V6-I18 HydrophobicContact CG1-CG2 4.48Å; I9-I18 HydrophobicContact CD1-CG1 4.49Å; I9-I18 HydrophobicContact CG2-CD1 4.12Å; I9-I18 HydrophobicContact CG2-CG1 3.99Å; V13-I18 HydrophobicContact CG1-CD1 3.68Å; V13-I18 HydrophobicContact CG1-CG1 3.58Å; S14-I18 PolarHBondContact O-N 3.47Å; N15-I18 PolarHBondContact O-N 2.82Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 3.29Å; I18-M21 HydrophobicContact CD1-SD 4.37Å; I18-M21 PolarHBondContact O-N 3.2Å; I18-L22 HydrophobicContact CG2-CD1 3.77Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 VanDerWaalsContact O-CG 3.31Å; I18-L22 WeakPolarHBondContact O-CG 3.32Å; I18-L22 PolarHBondContact O-N 3.35Å; I18-W31 HydrophobicContact CB-CZ2 4.15Å; I18-W31 HydrophobicContact CG2-CH2 3.61Å; I18-W31 HydrophobicContact CG2-CZ2 3.37Å; I18-W31 HydrophobicContact CG2-CZ3 4.49Å; I18-L67 HydrophobicContact CD1-CD2 3.53Å; I18-L72 HydrophobicContact CD1-CD1 4.22Å; I18-L72 HydrophobicContact CD1-CD2 4.35Å
19	K	90.9	Very high	88.2	Confident	89 Å²	89	51.3 Å²	51.3	39%	0.387	25%	0.254	S	S	.	.	H	α-helix	trans	-57.5	-45	176.5	-170.6	-177.5	177.3	179.9	0	111.1	N15 D16 L17 L22 M23 W31	N15-K19 WeakPolarHBondContact O-CB 3.39Å; N15-K19 PolarHBondContact O-N 2.68Å; D16-K19 PolarHBondContact O-N 2.89Å; L17-K19 PolarHBondContact O-N 2.77Å; K19-L22 PolarHBondContact O-N 2.9Å; K19-M23 HydrophobicContact CG-CE 4.07Å; K19-M23 HydrophobicContact CG-SD 4.4Å; K19-M23 WeakPolarHBondContact O-CB 3.2Å; K19-M23 VanDerWaalsContact O-CG 3.26Å; K19-M23 WeakPolarHBondContact O-CG 3.25Å; K19-M23 PolarHBondContact O-N 2.86Å; K19-W31 HydrophobicContact CG-CG 4.38Å
20	A	90.9	Very high	88.3	Confident	15 Å²	15	54.6 Å²	54.6	12%	0.124	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-39.4	178.6	0	0	0	0	0	112.6	D16 L17 I18 M23 K24 L127 M131	D16-A20 VanDerWaalsContact O-CB 3.23Å; D16-A20 WeakPolarHBondContact O-CB 3.45Å; D16-A20 PolarHBondContact O-N 3.26Å; L17-A20 PolarHBondContact O-N 2.86Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 3.29Å; A20-M23 HydrophobicContact CB-CE 4.23Å; A20-M23 PolarHBondContact O-N 3.33Å; A20-K24 WeakPolarHBondContact O-CG 3.39Å; A20-K24 PolarHBondContact O-N 3.36Å; A20-L127 HydrophobicContact CB-CD1 4.38Å; A20-L127 HydrophobicContact CB-CD2 3.73Å; A20-L127 HydrophobicContact CB-CG 4.46Å; A20-M131 HydrophobicContact CB-CE 3.59Å
21	M	90	Very high	88.6	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-44.9	173.8	-70.1	175.1	75.3	0	0	111.6	L17 I18 M23 K24 C25 L62 W65 L67 L72 L124 L127 V128	L17-M21 HydrophobicContact CD1-CG 4.15Å; L17-M21 HydrophobicContact CD1-SD 4.15Å; L17-M21 HydrophobicContact CG-SD 4.17Å; L17-M21 VanDerWaalsContact O-CG 3.29Å; L17-M21 WeakPolarHBondContact O-CG 3.49Å; L17-M21 PolarHBondContact O-N 2.88Å; I18-M21 HydrophobicContact CD1-SD 4.37Å; I18-M21 PolarHBondContact O-N 3.2Å; M21-M23 VanDerWaalsContact C-N 3.34Å; M21-M23 PolarHBondContact O-N 2.84Å; M21-K24 PolarHBondContact O-N 2.85Å; M21-C25 PolarHBondContact O-N 3.43Å; M21-C25 PolarHBondContact O-SG 2.67Å; M21-C25 VanDerWaalsContact O-SG 3.35Å; M21-L62 HydrophobicContact CB-CD2 4.44Å; M21-L62 HydrophobicContact CE-CD2 3.73Å; M21-W65 HydrophobicContact CE-CD2 4.44Å; M21-W65 HydrophobicContact CE-CG 4.12Å; M21-L67 HydrophobicContact CE-CD1 4.28Å; M21-L67 HydrophobicContact SD-CD1 4.11Å; M21-L72 HydrophobicContact CE-CD1 4.35Å; M21-L124 HydrophobicContact CB-CD2 3.82Å; M21-L124 HydrophobicContact CE-CD2 4.49Å; M21-L124 HydrophobicContact CG-CD2 3.98Å; M21-L127 HydrophobicContact CG-CD2 3.96Å; M21-V128 HydrophobicContact CE-CG2 4.11Å; M21-V128 HydrophobicContact SD-CG2 4.03Å
22	L	91.4	Very high	88.9	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-37.8	177.6	-68.2	166.1	0	0	0	111.7	V6 I18 K19 K24 C25 G26 I28 W31 C47 Y49 L62 L74	V6-L22 HydrophobicContact CG2-CD1 4.33Å; V6-L22 HydrophobicContact CG2-CD2 4.03Å; I18-L22 HydrophobicContact CG2-CD1 3.77Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 VanDerWaalsContact O-CG 3.31Å; I18-L22 WeakPolarHBondContact O-CG 3.32Å; I18-L22 PolarHBondContact O-N 3.35Å; K19-L22 PolarHBondContact O-N 2.9Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.87Å; L22-C25 WeakPolarHBondContact O-CB 3.45Å; L22-C25 PolarHBondContact O-N 3.37Å; L22-C25 VanDerWaalsContact O-N 3.14Å; L22-G26 PolarHBondContact O-N 3.24Å; L22-I28 HydrophobicContact CB-CD1 3.39Å; L22-I28 HydrophobicContact CB-CG1 4.27Å; L22-W31 HydrophobicContact CD1-CD2 3.72Å; L22-W31 HydrophobicContact CD1-CE3 3.32Å; L22-W31 HydrophobicContact CD1-CH2 3.88Å; L22-W31 HydrophobicContact CD1-CZ2 4.23Å; L22-W31 HydrophobicContact CD1-CZ3 3.42Å; L22-W31 VanDerWaalsContact CD1-CZ3 3.42Å; L22-C47 HydrophobicContact CD1-CB 3.96Å; L22-C47 HydrophobicContact CD2-CB 4.25Å; L22-Y49 WeakPolarHBondContact CA-OH 3.48Å; L22-Y49 WeakPolarHBondContact CB-OH 3.24Å; L22-Y49 VanDerWaalsContact CD2-OH 3.27Å; L22-Y49 WeakPolarHBondContact CD2-OH 3.31Å; L22-Y49 PolarHBondContact O-OH 3.34Å; L22-L62 HydrophobicContact CD2-CD1 3.73Å; L22-L74 HydrophobicContact CD2-CD2 4.49Å
23	M	91.3	Very high	89.3	Confident	100 Å²	100	44.3 Å²	44.3	49%	0.493	23%	0.228	S	C	.	.	H	α-helix	trans	-68.1	-29.6	178.3	-75.7	-174	-60.7	0	0	112	K19 A20 M21 C25 I28	K19-M23 HydrophobicContact CG-CE 4.07Å; K19-M23 HydrophobicContact CG-SD 4.4Å; K19-M23 WeakPolarHBondContact O-CB 3.2Å; K19-M23 VanDerWaalsContact O-CG 3.26Å; K19-M23 WeakPolarHBondContact O-CG 3.25Å; K19-M23 PolarHBondContact O-N 2.86Å; A20-M23 HydrophobicContact CB-CE 4.23Å; A20-M23 PolarHBondContact O-N 3.33Å; M21-M23 VanDerWaalsContact C-N 3.34Å; M21-M23 PolarHBondContact O-N 2.84Å; M23-C25 VanDerWaalsContact C-N 3.3Å; M23-I28 HydrophobicContact CB-CD1 4.33Å; M23-I28 HydrophobicContact CG-CD1 3.53Å; M23-I28 HydrophobicContact CG-CG1 4.14Å
24	K	88.6	Confident	89.3	Confident	105 Å²	105	44.3 Å²	44.3	46%	0.457	23%	0.228	S	C	.	.	H	α-helix	trans	-70.2	-26.8	173.1	-69	-64.6	-179.4	-178.8	0	112.7	A20 M21 L22 F120 L124 L127	A20-K24 WeakPolarHBondContact O-CG 3.39Å; A20-K24 PolarHBondContact O-N 3.36Å; M21-K24 PolarHBondContact O-N 2.85Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.87Å; K24-F120 WeakPolarHBondContact O-CD1 3.07Å; K24-L124 HydrophobicContact CB-CD2 4.04Å; K24-L127 HydrophobicContact CG-CD2 4.14Å
25	C	86.6	Confident	89.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-79.4	-26.6	177.4	-60	0	0	0	0	112.5	M21 L22 M23 R57 A58	M21-C25 PolarHBondContact O-N 3.43Å; M21-C25 PolarHBondContact O-SG 2.67Å; M21-C25 VanDerWaalsContact O-SG 3.35Å; L22-C25 WeakPolarHBondContact O-CB 3.45Å; L22-C25 PolarHBondContact O-N 3.37Å; L22-C25 VanDerWaalsContact O-N 3.14Å; M23-C25 VanDerWaalsContact C-N 3.3Å; C25-R57 WeakPolarHBondContact O-CD 3.33Å; C25-A58 HydrophobicContact CB-CB 4.06Å
26	G	88.3	Confident	88.8	Confident	18 Å²	18	45.7 Å²	45.7	19%	0.186	23%	0.228	C	C	.	.	S	Bend	trans	167.8	-176.4	173.6	0	0	0	0	0	113.7	L22 I28	L22-G26 PolarHBondContact O-N 3.24Å; G26-I28 PolarHBondContact O-N 2.92Å
27	N	91.5	Very high	87.9	Confident	103 Å²	103	43.4 Å²	43.4	55%	0.551	22%	0.219	S	C	*	.			trans	-72.8	114.7	-178.5	-166.1	48.9	0	0	0	111.4	Y49 D50	N27-Y49 WeakPolarHBondContact O-CD1 3.35Å; N27-D50 PolarHBondContact O-N 2.89Å
28	I	92	Very high	87.1	Confident	28 Å²	28	47.5 Å²	47.5	14%	0.144	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.6	177.5	-53.4	176.1	0	0	0	108.6	L22 M23 G26 N30 W31 E48 Y49	L22-I28 HydrophobicContact CB-CD1 3.39Å; L22-I28 HydrophobicContact CB-CG1 4.27Å; M23-I28 HydrophobicContact CB-CD1 4.33Å; M23-I28 HydrophobicContact CG-CD1 3.53Å; M23-I28 HydrophobicContact CG-CG1 4.14Å; G26-I28 PolarHBondContact O-N 2.92Å; I28-N30 VanDerWaalsContact CG2-C 3.43Å; I28-N30 WeakPolarHBondContact CG2-O 3.33Å; I28-W31 HydrophobicContact CG2-CB 4.1Å; I28-E48 CarbonylContact C-O 3.41Å; I28-Y49 HydrophobicContact CG1-CD1 4.3Å; I28-Y49 HydrophobicContact CG1-CE1 3.79Å
29	M	89.7	Confident	86.6	Confident	84 Å²	84	49.8 Å²	49.8	41%	0.414	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-43.7	168.9	-66.1	-168.8	-65.8	0	0	111.2	M1 E48 Y49 D50	M1-M29 HydrophobicContact CB-CE 3.64Å; M1-M29 HydrophobicContact CE-CE 3.99Å; M1-M29 HydrophobicContact CG-CE 3.28Å; M1-M29 HydrophobicContact SD-CE 3.51Å; M1-M29 VanDerWaalsContact SD-CE 3.51Å; M29-E48 HydrophobicContact CB-CB 4.48Å; M29-E48 PolarHBondContact N-O 2.84Å; M29-Y49 WeakPolarHBondContact CE-O 3.35Å; M29-D50 HydrophobicContact CE-CB 4.5Å; M29-D50 HydrophobicContact CG-CB 3.8Å; M29-D50 HydrophobicContact SD-CB 4Å
30	N	90.1	Very high	86.2	Confident	69 Å²	69	51.4 Å²	51.4	37%	0.369	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.6	-179.8	-167.3	8.2	0	0	0	111.2	I28 E48	I28-N30 VanDerWaalsContact CG2-C 3.43Å; I28-N30 WeakPolarHBondContact CG2-O 3.33Å; N30-E48 HydrophobicContact CB-CB 4.05Å; N30-E48 HydrophobicContact CB-CG 3.97Å; N30-E48 WeakPolarHBondContact CB-OE2 3.43Å; N30-E48 PolarHBondContact N-O 3.4Å; N30-E48 PolarHBondContact O-N 3.31Å
31	W	90.2	Very high	85.9	Confident	29 Å²	29	55.4 Å²	55.4	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.6	171.7	166.7	-110.5	0	0	0	108.8	V6 I9 N15 I18 K19 L22 I28 R33 F46 C47	V6-W31 HydrophobicContact CB-CH2 4.01Å; V6-W31 HydrophobicContact CB-CZ3 4.06Å; V6-W31 HydrophobicContact CG1-CH2 4.37Å; V6-W31 HydrophobicContact CG2-CH2 4.19Å; V6-W31 HydrophobicContact CG2-CZ3 3.79Å; I9-W31 HydrophobicContact CD1-CH2 4.37Å; N15-W31 PolarHBondContact OD1-NE1 3.43Å; I18-W31 HydrophobicContact CB-CZ2 4.15Å; I18-W31 HydrophobicContact CG2-CH2 3.61Å; I18-W31 HydrophobicContact CG2-CZ2 3.37Å; I18-W31 HydrophobicContact CG2-CZ3 4.49Å; K19-W31 HydrophobicContact CG-CG 4.38Å; L22-W31 HydrophobicContact CD1-CD2 3.72Å; L22-W31 HydrophobicContact CD1-CE3 3.32Å; L22-W31 HydrophobicContact CD1-CH2 3.88Å; L22-W31 HydrophobicContact CD1-CZ2 4.23Å; L22-W31 HydrophobicContact CD1-CZ3 3.42Å; L22-W31 VanDerWaalsContact CD1-CZ3 3.42Å; I28-W31 HydrophobicContact CG2-CB 4.1Å; W31-R33 HydrophobicContact CZ2-CB 3.91Å; W31-R33 HydrophobicContact CZ2-CG 4.42Å; W31-F46 WeakPolarHBondContact CA-O 3.29Å; W31-C47 HydrophobicContact CE3-CB 3.66Å; W31-C47 HydrophobicContact CZ3-CB 3.96Å
32	K	88.4	Confident	85.7	Confident	78 Å²	78	57.3 Å²	57.3	34%	0.339	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	107.4	176.1	-168	-170.9	179.4	-173.5	0	109.9	I34 G45 F46 D420 M423	K32-I34 HydrophobicContact CD-CD1 4.36Å; K32-G45 VanDerWaalsContact O-CA 3.32Å; K32-G45 WeakPolarHBondContact O-CA 3.37Å; K32-F46 PolarHBondContact N-O 3.13Å; K32-F46 PolarHBondContact O-N 3.31Å; K32-D420 IonicContact NZ-OD1 3.6Å; K32-M423 HydrophobicContact CB-CE 3.92Å; K32-M423 HydrophobicContact CD-CE 3.52Å; K32-M423 HydrophobicContact CD-SD 3.31Å; K32-M423 WeakPolarHBondContact CD-SD 3.36Å; K32-M423 HydrophobicContact CG-CE 4.37Å; K32-M423 PolarHBondContact NZ-SD 3.35Å
33	R	88.6	Confident	85.4	Confident	12 Å²	12	58.1 Å²	58.1	5%	0.045	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.1	165.2	-169.2	172.2	179.5	-170.7	-7.3	109	V13 N15 W31 Q35 Y41 Q42	V13-R33 PolarHBondContact O-NH1 2.85Å; N15-R33 VanDerWaalsContact OD1-CB 3.25Å; N15-R33 WeakPolarHBondContact OD1-CB 3.34Å; W31-R33 HydrophobicContact CZ2-CB 3.91Å; W31-R33 HydrophobicContact CZ2-CG 4.42Å; R33-Q35 PolarHBondContact O-N 3.31Å; R33-Y41 HydrophobicContact CB-CD1 3.95Å; R33-Y41 HydrophobicContact CB-CE1 4.39Å; R33-Y41 HydrophobicContact CG-CD1 3.81Å; R33-Y41 HydrophobicContact CG-CG 4.29Å; R33-Y41 VanDerWaalsContact CZ-CB 3.49Å; R33-Y41 VanDerWaalsContact NE-CB 3.34Å; R33-Q42 PolarHBondContact NE-O 2.83Å; R33-Q42 PolarHBondContact NH2-O 3.19Å
34	I	85.9	Confident	85.3	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129	-177.5	-60.8	-54.4	0	0	0	108.7	K32 Q42 F44 F46 F403	K32-I34 HydrophobicContact CD-CD1 4.36Å; I34-Q42 HydrophobicContact CB-CB 4.37Å; I34-Q42 HydrophobicContact CB-CG 4.49Å; I34-Q42 HydrophobicContact CG2-CG 4.11Å; I34-Q42 WeakPolarHBondContact O-CB 3.38Å; I34-Q42 PolarHBondContact O-N 3.46Å; I34-F44 HydrophobicContact CB-CD2 4.37Å; I34-F44 HydrophobicContact CB-CE2 3.92Å; I34-F44 HydrophobicContact CB-CZ 4.1Å; I34-F44 HydrophobicContact CG1-CD2 3.97Å; I34-F44 HydrophobicContact CG1-CE2 3.53Å; I34-F44 HydrophobicContact CG1-CZ 4.18Å; I34-F44 HydrophobicContact CG2-CE2 4.28Å; I34-F44 HydrophobicContact CG2-CZ 4.06Å; I34-F44 PolarHBondContact N-O 2.99Å; I34-F46 HydrophobicContact CD1-CD2 4.1Å; I34-F46 HydrophobicContact CD1-CE2 4.11Å; I34-F46 HydrophobicContact CG1-CD2 4.13Å; I34-F46 HydrophobicContact CG1-CE2 3.84Å; I34-F403 HydrophobicContact CG2-CD2 3.9Å; I34-F403 HydrophobicContact CG2-CE1 4.24Å; I34-F403 HydrophobicContact CG2-CE2 3.38Å; I34-F403 HydrophobicContact CG2-CZ 3.57Å
35	Q	85.1	Confident	85.3	Confident	106 Å²	106	48.4 Å²	48.4	50%	0.495	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.4	176.5	-72	176.5	54.7	0	0	108.6	R33 Y41	R33-Q35 PolarHBondContact O-N 3.31Å; Q35-Y41 HydrophobicContact CG-CD1 3.4Å; Q35-Y41 VanDerWaalsContact CG-CD1 3.4Å; Q35-Y41 HydrophobicContact CG-CE1 3.4Å; Q35-Y41 VanDerWaalsContact CG-CE1 3.4Å; Q35-Y41 HydrophobicContact CG-CG 4.35Å
36	G	77.3	Confident	85.4	Confident	5 Å²	5	48.8 Å²	48.8	5%	0.052	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-62.1	156.7	168.2	0	0	0	0	0	109.9	S38 G39 K40	G36-S38 PolarHBondContact O-N 2.81Å; G36-G39 WeakPolarHBondContact O-CA 3.31Å; G36-G39 PolarHBondContact O-N 3.37Å; G36-K40 WeakPolarHBondContact CA-O 3.45Å; G36-K40 PolarHBondContact N-O 2.94Å
37	P	70.4	Confident	85.5	Confident	58 Å²	58	48 Å²	48	38%	0.377	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.9	178.2	-26.8	37.7	0	0	0	114.5	G39 Q406 Q410	P37-G39 PolarHBondContact O-N 2.85Å; P37-Q406 HydrophobicContact CG-CG 4.31Å; P37-Q410 VanDerWaalsContact CB-CD 3.43Å
38	S	72.7	Confident	85.4	Confident	88 Å²	88	45 Å²	45	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	6.7	173.2	70.5	0	0	0	0	113.5	G36 K40	G36-S38 PolarHBondContact O-N 2.81Å; S38-K40 PolarHBondContact O-N 3.48Å; S38-K40 WeakPolarHBondContact OG-CB 3.28Å; S38-K40 WeakPolarHBondContact OG-CG 3.27Å; S38-K40 PolarHBondContact OG-N 2.84Å
39	G	78.4	Confident	85.4	Confident	49 Å²	49	43.6 Å²	43.6	51%	0.505	23%	0.231	S	C	.	.	S	Bend	trans	73	-1.6	-171.4	0	0	0	0	0	114.5	G36 P37	G36-G39 WeakPolarHBondContact O-CA 3.31Å; G36-G39 PolarHBondContact O-N 3.37Å; P37-G39 PolarHBondContact O-N 2.85Å
40	K	82.8	Confident	85.4	Confident	124 Å²	124	42.5 Å²	42.5	54%	0.539	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-78.3	136.7	175.3	-71.7	-172.8	167.2	-156.5	0	109.9	E11 G36 S38 Q42	E11-K40 IonicContact OE1-NZ 2.87Å; E11-K40 PolarHBondContact OE1-NZ 3.38Å; G36-K40 WeakPolarHBondContact CA-O 3.45Å; G36-K40 PolarHBondContact N-O 2.94Å; S38-K40 PolarHBondContact O-N 3.48Å; S38-K40 WeakPolarHBondContact OG-CB 3.28Å; S38-K40 WeakPolarHBondContact OG-CG 3.27Å; S38-K40 PolarHBondContact OG-N 2.84Å; K40-Q42 PolarHBondContact O-N 3.46Å
41	Y	85.3	Confident	85.3	Confident	98 Å²	98	44.4 Å²	44.4	38%	0.384	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.4	173.7	-66.1	-73.7	0	0	0	111.6	N15 R33 Q35	N15-Y41 HydrophobicContact CB-CE1 4.39Å; N15-Y41 HydrophobicContact CB-CE2 4.15Å; R33-Y41 HydrophobicContact CB-CD1 3.95Å; R33-Y41 HydrophobicContact CB-CE1 4.39Å; R33-Y41 HydrophobicContact CG-CD1 3.81Å; R33-Y41 HydrophobicContact CG-CG 4.29Å; R33-Y41 VanDerWaalsContact CZ-CB 3.49Å; R33-Y41 VanDerWaalsContact NE-CB 3.34Å; Q35-Y41 HydrophobicContact CG-CD1 3.4Å; Q35-Y41 VanDerWaalsContact CG-CD1 3.4Å; Q35-Y41 HydrophobicContact CG-CE1 3.4Å; Q35-Y41 VanDerWaalsContact CG-CE1 3.4Å; Q35-Y41 HydrophobicContact CG-CG 4.35Å
42	Q	84.6	Confident	85.1	Confident	42 Å²	42	44.3 Å²	44.3	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	166.5	170.3	-65.8	-68.3	2.5	0	0	110.7	R33 I34 K40 F44 F403 Q406	R33-Q42 PolarHBondContact NE-O 2.83Å; R33-Q42 PolarHBondContact NH2-O 3.19Å; I34-Q42 HydrophobicContact CB-CB 4.37Å; I34-Q42 HydrophobicContact CB-CG 4.49Å; I34-Q42 HydrophobicContact CG2-CG 4.11Å; I34-Q42 WeakPolarHBondContact O-CB 3.38Å; I34-Q42 PolarHBondContact O-N 3.46Å; K40-Q42 PolarHBondContact O-N 3.46Å; Q42-F44 HydrophobicContact CB-CD1 3.81Å; Q42-F44 HydrophobicContact CB-CE1 3.7Å; Q42-F44 HydrophobicContact CB-CZ 4.49Å; Q42-F44 HydrophobicContact CG-CE1 4.09Å; Q42-F44 PolarHBondContact O-N 3.3Å; Q42-F44 VanDerWaalsContact O-N 3.13Å; Q42-F403 HydrophobicContact CG-CD2 4.18Å; Q42-Q406 VanDerWaalsContact NE2-OE1 3.13Å
43	A	86.3	Confident	84.9	Confident	19 Å²	19	42.3 Å²	42.3	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	12	176.9	0	0	0	0	0	113.5	G7 N8 I9	G7-A43 CarbonylContact C-O 3.53Å; N8-A43 PolarHBondContact N-O 3.44Å; I9-A43 WeakPolarHBondContact CG1-O 3.29Å; I9-A43 PolarHBondContact N-O 2.82Å; I9-A43 WeakPolarHBondContact O-CA 3.34Å; I9-A43 VanDerWaalsContact O-CB 3.31Å; I9-A43 WeakPolarHBondContact O-CB 3.49Å
44	F	88	Confident	84.9	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.3	-179.6	67.9	-81.9	0	0	0	113.3	F5 V6 I34 Q42 F46 S399 L400 F403	F5-F44 HydrophobicContact CE2-CB 3.72Å; F5-F44 AromaticContact CE2-CD2 3.8Å; F5-F44 HydrophobicContact CE2-CD2 3.8Å; F5-F44 HydrophobicContact CE2-CG 4.06Å; F5-F44 HydrophobicContact CZ-CB 3.81Å; F5-F44 HydrophobicContact CZ-CG 4.41Å; V6-F44 CarbonylContact O-C 3.6Å; V6-F44 WeakPolarHBondContact O-CA 3.32Å; I34-F44 HydrophobicContact CB-CD2 4.37Å; I34-F44 HydrophobicContact CB-CE2 3.92Å; I34-F44 HydrophobicContact CB-CZ 4.1Å; I34-F44 HydrophobicContact CG1-CD2 3.97Å; I34-F44 HydrophobicContact CG1-CE2 3.53Å; I34-F44 HydrophobicContact CG1-CZ 4.18Å; I34-F44 HydrophobicContact CG2-CE2 4.28Å; I34-F44 HydrophobicContact CG2-CZ 4.06Å; I34-F44 PolarHBondContact N-O 2.99Å; Q42-F44 HydrophobicContact CB-CD1 3.81Å; Q42-F44 HydrophobicContact CB-CE1 3.7Å; Q42-F44 HydrophobicContact CB-CZ 4.49Å; Q42-F44 HydrophobicContact CG-CE1 4.09Å; Q42-F44 PolarHBondContact O-N 3.3Å; Q42-F44 VanDerWaalsContact O-N 3.13Å; F44-F46 AromaticContact CD2-CE2 3.92Å; F44-F46 HydrophobicContact CD2-CE2 3.92Å; F44-F46 HydrophobicContact CD2-CZ 4.15Å; F44-F46 HydrophobicContact CE2-CE2 4.03Å; F44-F46 HydrophobicContact CE2-CZ 4.36Å; F44-S399 WeakPolarHBondContact CE1-O 3.27Å; F44-L400 HydrophobicContact CE2-CD1 3.98Å; F44-L400 HydrophobicContact CZ-CD1 4.08Å; F44-F403 HydrophobicContact CE1-CB 3.93Å; F44-F403 HydrophobicContact CE1-CG 4.35Å; F44-F403 HydrophobicContact CZ-CB 3.74Å; F44-F403 HydrophobicContact CZ-CD1 4.07Å; F44-F403 HydrophobicContact CZ-CD2 4.34Å; F44-F403 AromaticContact CZ-CG 3.8Å; F44-F403 HydrophobicContact CZ-CG 3.8Å
45	G	88.5	Confident	85	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	171.8	179.2	0	0	0	0	0	112.5	V6 K32	V6-G45 PolarHBondContact N-O 2.92Å; V6-G45 PolarHBondContact O-N 3.08Å; K32-G45 VanDerWaalsContact O-CA 3.32Å; K32-G45 WeakPolarHBondContact O-CA 3.37Å
46	F	88.6	Confident	85	Confident	9 Å²	9	37.1 Å²	37.1	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.3	-175.5	-61.7	-84.4	0	0	0	110	F5 W31 K32 I34 F44 V424	F5-F46 HydrophobicContact CB-CE1 4.31Å; F5-F46 HydrophobicContact CD2-CD1 4.32Å; F5-F46 AromaticContact CD2-CE1 3.51Å; F5-F46 HydrophobicContact CD2-CE1 3.51Å; F5-F46 AromaticContact CD2-CZ 3.63Å; F5-F46 HydrophobicContact CD2-CZ 3.63Å; F5-F46 HydrophobicContact CE2-CE1 4.34Å; F5-F46 HydrophobicContact CE2-CZ 4.02Å; F5-F46 HydrophobicContact CG-CE1 4.4Å; W31-F46 WeakPolarHBondContact CA-O 3.29Å; K32-F46 PolarHBondContact N-O 3.13Å; K32-F46 PolarHBondContact O-N 3.31Å; I34-F46 HydrophobicContact CD1-CD2 4.1Å; I34-F46 HydrophobicContact CD1-CE2 4.11Å; I34-F46 HydrophobicContact CG1-CD2 4.13Å; I34-F46 HydrophobicContact CG1-CE2 3.84Å; F44-F46 AromaticContact CD2-CE2 3.92Å; F44-F46 HydrophobicContact CD2-CE2 3.92Å; F44-F46 HydrophobicContact CD2-CZ 4.15Å; F44-F46 HydrophobicContact CE2-CE2 4.03Å; F44-F46 HydrophobicContact CE2-CZ 4.36Å; F46-V424 HydrophobicContact CE1-CB 3.83Å; F46-V424 HydrophobicContact CE1-CG1 3.71Å; F46-V424 HydrophobicContact CE1-CG2 3.61Å; F46-V424 HydrophobicContact CE2-CG2 3.59Å; F46-V424 HydrophobicContact CZ-CB 3.78Å; F46-V424 HydrophobicContact CZ-CG1 3.74Å; F46-V424 HydrophobicContact CZ-CG2 3.06Å
47	C	90.3	Very high	85.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.7	177.3	-171.2	0	0	0	0	109.9	T3 V4 V6 L22 W31 Y49	T3-C47 CarbonylContact C-O 3.42Å; V4-C47 HydrophobicContact CB-CB 4.45Å; V4-C47 PolarHBondContact N-O 3.18Å; V4-C47 PolarHBondContact O-N 3.21Å; V6-C47 HydrophobicContact CG2-CB 4.39Å; L22-C47 HydrophobicContact CD1-CB 3.96Å; L22-C47 HydrophobicContact CD2-CB 4.25Å; W31-C47 HydrophobicContact CE3-CB 3.66Å; W31-C47 HydrophobicContact CZ3-CB 3.96Å; C47-Y49 HydrophobicContact CB-CE2 4.35Å; C47-Y49 VanDerWaalsContact SG-CE2 3.59Å
48	E	90.1	Very high	86.2	Confident	40 Å²	40	36.2 Å²	36.2	19%	0.187	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.2	175	-53.5	-175.9	160.6	0	0	109.1	M1 T3 I28 M29 N30	M1-E48 HydrophobicContact CE-CB 3.88Å; M1-E48 HydrophobicContact CE-CG 3.9Å; M1-E48 WeakPolarHBondContact CE-OE2 3.27Å; T3-E48 HydrophobicContact CG2-CG 4.04Å; I28-E48 CarbonylContact C-O 3.41Å; M29-E48 HydrophobicContact CB-CB 4.48Å; M29-E48 PolarHBondContact N-O 2.84Å; N30-E48 HydrophobicContact CB-CB 4.05Å; N30-E48 HydrophobicContact CB-CG 3.97Å; N30-E48 WeakPolarHBondContact CB-OE2 3.43Å; N30-E48 PolarHBondContact N-O 3.4Å; N30-E48 PolarHBondContact O-N 3.31Å
49	Y	92.1	Very high	86.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.8	175.4	-74.5	-73.1	0	0	0	111.2	M1 T2 V4 L22 N27 I28 M29 C47 T55 A58	M1-Y49 VanDerWaalsContact CA-O 3.31Å; M1-Y49 WeakPolarHBondContact CA-O 3.26Å; T2-Y49 PolarHBondContact N-O 2.97Å; T2-Y49 VanDerWaalsContact N-O 3.07Å; T2-Y49 PolarHBondContact O-N 3.29Å; V4-Y49 HydrophobicContact CB-CE2 4.49Å; V4-Y49 HydrophobicContact CG2-CD2 3.67Å; V4-Y49 HydrophobicContact CG2-CE2 3.95Å; L22-Y49 WeakPolarHBondContact CA-OH 3.48Å; L22-Y49 WeakPolarHBondContact CB-OH 3.24Å; L22-Y49 VanDerWaalsContact CD2-OH 3.27Å; L22-Y49 WeakPolarHBondContact CD2-OH 3.31Å; L22-Y49 PolarHBondContact O-OH 3.34Å; N27-Y49 WeakPolarHBondContact O-CD1 3.35Å; I28-Y49 HydrophobicContact CG1-CD1 4.3Å; I28-Y49 HydrophobicContact CG1-CE1 3.79Å; M29-Y49 WeakPolarHBondContact CE-O 3.35Å; C47-Y49 HydrophobicContact CB-CE2 4.35Å; C47-Y49 VanDerWaalsContact SG-CE2 3.59Å; Y49-T55 WeakPolarHBondContact CB-OG1 3.42Å; Y49-T55 WeakPolarHBondContact CD2-OG1 3.3Å; Y49-A58 HydrophobicContact CE2-CB 3.82Å
50	D	90.3	Very high	87.2	Confident	61 Å²	61	34 Å²	34	33%	0.326	16%	0.159	S	C	.	.	S	Bend	trans	-63.7	-47.1	174.8	-170.9	20.4	0	0	0	110.8	M1 N27 M29	M1-D50 PolarHBondContact N-O 2.81Å; M1-D50 VanDerWaalsContact N-O 3.14Å; N27-D50 PolarHBondContact O-N 2.89Å; M29-D50 HydrophobicContact CE-CB 4.5Å; M29-D50 HydrophobicContact CG-CB 3.8Å; M29-D50 HydrophobicContact SD-CB 4Å
51	H	87.3	Confident	87.3	Confident	108 Å²	108	29 Å²	29	50%	0.5	14%	0.138	S	C	.	.	S	Bend	trans	-106.8	141.4	-176.8	-65.9	-59.3	0	0	0	113.8	D53 S54	H51-D53 VanDerWaalsContact C-N 3.29Å; H51-D53 PolarHBondContact O-N 2.86Å; H51-S54 WeakPolarHBondContact O-CB 3.44Å; H51-S54 PolarHBondContact O-N 3.06Å
52	P	85.6	Confident	87.4	Confident	27 Å²	27	24.4 Å²	24.4	18%	0.175	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-29.2	176	26.4	-34	0	0	0	113	T2 S54 T55 L56 L84 F87	T2-P52 HydrophobicContact CG2-CB 4.39Å; P52-S54 VanDerWaalsContact C-N 3.32Å; P52-S54 PolarHBondContact O-N 3.02Å; P52-T55 WeakPolarHBondContact O-CB 3.5Å; P52-T55 PolarHBondContact O-N 2.63Å; P52-L56 WeakPolarHBondContact O-CG 3.37Å; P52-L56 PolarHBondContact O-N 2.87Å; P52-L84 HydrophobicContact CB-CD2 3.59Å; P52-L84 WeakPolarHBondContact O-CD2 3.4Å; P52-F87 HydrophobicContact CB-CD1 4.11Å; P52-F87 HydrophobicContact CB-CD2 4.45Å; P52-F87 HydrophobicContact CB-CE1 4.44Å; P52-F87 HydrophobicContact CB-CG 4.11Å; P52-F87 HydrophobicContact CG-CD1 3.89Å; P52-F87 HydrophobicContact CG-CD2 3.62Å; P52-F87 HydrophobicContact CG-CE1 3.9Å; P52-F87 HydrophobicContact CG-CE2 3.63Å; P52-F87 HydrophobicContact CG-CG 3.75Å; P52-F87 HydrophobicContact CG-CZ 3.78Å
53	D	84.4	Confident	87.4	Confident	36 Å²	36	26.2 Å²	26.2	19%	0.193	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-36.9	176.9	-167.7	63.9	0	0	0	112	H51 T55 L56 R57 F87 R91	H51-D53 VanDerWaalsContact C-N 3.29Å; H51-D53 PolarHBondContact O-N 2.86Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.2Å; D53-L56 PolarHBondContact O-N 3.41Å; D53-R57 WeakPolarHBondContact O-CB 3.24Å; D53-R57 PolarHBondContact O-N 3.43Å; D53-R57 IonicContact OD2-CZ 3.91Å; D53-R57 IonicContact OD2-NH2 2.85Å; D53-R57 PolarHBondContact OD2-NH2 3.26Å; D53-F87 HydrophobicContact CB-CE1 4.28Å; D53-R91 IonicContact OD1-NH1 3.41Å; D53-R91 PolarHBondContact OD1-NH1 2.92Å
54	S	88.6	Confident	87.3	Confident	10 Å²	10	29.3 Å²	29.3	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-41.9	173.9	-53.5	0	0	0	0	111.6	H51 P52 R57 A58	H51-S54 WeakPolarHBondContact O-CB 3.44Å; H51-S54 PolarHBondContact O-N 3.06Å; P52-S54 VanDerWaalsContact C-N 3.32Å; P52-S54 PolarHBondContact O-N 3.02Å; S54-R57 PolarHBondContact O-N 2.88Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.98Å
55	T	88.2	Confident	87.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-44.4	177.1	-63.8	0	0	0	0	111.9	T2 V4 Y49 P52 D53 R57 A58 L59 C76 L84	T2-T55 PolarHBondContact OG1-OG1 3.49Å; V4-T55 HydrophobicContact CG2-CG2 3.41Å; V4-T55 VanDerWaalsContact CG2-CG2 3.41Å; Y49-T55 WeakPolarHBondContact CB-OG1 3.42Å; Y49-T55 WeakPolarHBondContact CD2-OG1 3.3Å; P52-T55 WeakPolarHBondContact O-CB 3.5Å; P52-T55 PolarHBondContact O-N 2.63Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.2Å; T55-R57 VanDerWaalsContact C-N 3.28Å; T55-R57 PolarHBondContact O-N 3.48Å; T55-A58 PolarHBondContact O-N 3.1Å; T55-L59 HydrophobicContact CG2-CD1 4.09Å; T55-L59 HydrophobicContact CG2-CG 4.41Å; T55-L59 WeakPolarHBondContact O-CB 3.45Å; T55-L59 WeakPolarHBondContact O-CG 3.43Å; T55-L59 PolarHBondContact O-N 2.94Å; T55-C76 WeakPolarHBondContact CG2-SG 3.36Å; T55-L84 HydrophobicContact CG2-CD1 3.72Å; T55-L84 HydrophobicContact CG2-CD2 4.19Å
56	L	85	Confident	87	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-41.3	175.5	-68.4	173.9	0	0	0	111.8	P52 D53 R60 L84 F87 I88 L107	P52-L56 WeakPolarHBondContact O-CG 3.37Å; P52-L56 PolarHBondContact O-N 2.87Å; D53-L56 PolarHBondContact O-N 3.41Å; L56-R60 WeakPolarHBondContact O-CB 3.34Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 3.02Å; L56-L84 HydrophobicContact CD2-CB 4.14Å; L56-L84 HydrophobicContact CD2-CD1 4.36Å; L56-L84 HydrophobicContact CD2-CD2 4.17Å; L56-L84 HydrophobicContact CD2-CG 4.45Å; L56-L84 HydrophobicContact CG-CD2 4.06Å; L56-F87 HydrophobicContact CD1-CD1 4.36Å; L56-I88 HydrophobicContact CD1-CD1 3.79Å; L56-I88 HydrophobicContact CD1-CG1 3.56Å; L56-I88 HydrophobicContact CD2-CD1 3.76Å; L56-I88 HydrophobicContact CD2-CG1 4.46Å; L56-I88 HydrophobicContact CG-CD1 4.44Å; L56-L107 HydrophobicContact CD2-CD1 3.93Å; L56-L107 HydrophobicContact CD2-CD2 4.18Å
57	R	85.2	Confident	86.6	Confident	43 Å²	43	34.5 Å²	34.5	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-44.3	176.9	-161.8	-179.4	-49.3	-159.2	-3.1	111.8	C25 D53 S54 T55 R60 L61	C25-R57 WeakPolarHBondContact O-CD 3.33Å; D53-R57 WeakPolarHBondContact O-CB 3.24Å; D53-R57 PolarHBondContact O-N 3.43Å; D53-R57 IonicContact OD2-CZ 3.91Å; D53-R57 IonicContact OD2-NH2 2.85Å; D53-R57 PolarHBondContact OD2-NH2 3.26Å; S54-R57 PolarHBondContact O-N 2.88Å; T55-R57 VanDerWaalsContact C-N 3.28Å; T55-R57 PolarHBondContact O-N 3.48Å; R57-R60 PolarHBondContact O-N 3.19Å; R57-L61 HydrophobicContact CG-CD1 3.74Å; R57-L61 HydrophobicContact CG-CG 4.42Å; R57-L61 WeakPolarHBondContact O-CB 3.06Å; R57-L61 WeakPolarHBondContact O-CG 3.32Å; R57-L61 PolarHBondContact O-N 3.5Å
58	A	88.9	Confident	85.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-48	176.1	0	0	0	0	0	111.6	C25 Y49 S54 T55 R60 L61 L62 L74	C25-A58 HydrophobicContact CB-CB 4.06Å; Y49-A58 HydrophobicContact CE2-CB 3.82Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.98Å; T55-A58 PolarHBondContact O-N 3.1Å; A58-R60 VanDerWaalsContact C-N 3.28Å; A58-R60 PolarHBondContact O-N 3.29Å; A58-L61 PolarHBondContact O-N 3.47Å; A58-L62 HydrophobicContact CB-CD1 4.33Å; A58-L62 VanDerWaalsContact O-CB 3.27Å; A58-L62 WeakPolarHBondContact O-CB 3.21Å; A58-L62 PolarHBondContact O-N 2.82Å; A58-L74 HydrophobicContact CB-CD2 4.13Å
59	L	87.2	Confident	85.5	Confident	30 Å²	30	40.9 Å²	40.9	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-38.8	176.3	-72	171.1	0	0	0	112.1	V4 T55 H63 L74 C76 L84	V4-L59 HydrophobicContact CG1-CD2 4.45Å; T55-L59 HydrophobicContact CG2-CD1 4.09Å; T55-L59 HydrophobicContact CG2-CG 4.41Å; T55-L59 WeakPolarHBondContact O-CB 3.45Å; T55-L59 WeakPolarHBondContact O-CG 3.43Å; T55-L59 PolarHBondContact O-N 2.94Å; L59-H63 WeakPolarHBondContact O-CB 3.33Å; L59-L74 HydrophobicContact CD2-CB 4.08Å; L59-L74 WeakPolarHBondContact CD2-O 3.18Å; L59-C76 HydrophobicContact CD1-CB 4.46Å; L59-L84 HydrophobicContact CD1-CD1 4.25Å
60	R	83.6	Confident	85	Confident	61 Å²	61	45.2 Å²	45.2	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-71.7	-41.1	179	-79.6	-179.6	153.7	172.1	14	114.8	L56 R57 A58 L107 P108 A109 M113 D117	L56-R60 WeakPolarHBondContact O-CB 3.34Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 3.02Å; R57-R60 PolarHBondContact O-N 3.19Å; A58-R60 VanDerWaalsContact C-N 3.28Å; A58-R60 PolarHBondContact O-N 3.29Å; R60-L107 PolarHBondContact NH2-O 2.99Å; R60-P108 PolarHBondContact NH2-O 3.27Å; R60-A109 VanDerWaalsContact CZ-CB 3.49Å; R60-M113 VanDerWaalsContact NH1-CE 3.28Å; R60-M113 PolarHBondContact NH1-SD 3.07Å; R60-D117 IonicContact NH1-OD2 2.89Å
61	L	85.7	Confident	84.9	Confident	18 Å²	18	47.9 Å²	47.9	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-92	-37	-170.2	-67.6	178.6	0	0	0	112.7	R57 A58 W65 D117 F120 R121 L124	R57-L61 HydrophobicContact CG-CD1 3.74Å; R57-L61 HydrophobicContact CG-CG 4.42Å; R57-L61 WeakPolarHBondContact O-CB 3.06Å; R57-L61 WeakPolarHBondContact O-CG 3.32Å; R57-L61 PolarHBondContact O-N 3.5Å; A58-L61 PolarHBondContact O-N 3.47Å; L61-W65 VanDerWaalsContact O-CE3 3.3Å; L61-D117 HydrophobicContact CD2-CB 3.78Å; L61-D117 WeakPolarHBondContact CD2-O 3.37Å; L61-F120 HydrophobicContact CD1-CB 3.38Å; L61-F120 HydrophobicContact CD1-CG 4.21Å; L61-R121 HydrophobicContact CD2-CB 4.47Å; L61-L124 HydrophobicContact CB-CD1 4.23Å; L61-L124 HydrophobicContact CD1-CD1 4.43Å
62	L	86.7	Confident	85	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-98.6	-18.9	-171.6	-60.5	176.3	0	0	0	113.1	M21 L22 A58 D64 W65 L74 L124	M21-L62 HydrophobicContact CB-CD2 4.44Å; M21-L62 HydrophobicContact CE-CD2 3.73Å; L22-L62 HydrophobicContact CD2-CD1 3.73Å; A58-L62 HydrophobicContact CB-CD1 4.33Å; A58-L62 VanDerWaalsContact O-CB 3.27Å; A58-L62 WeakPolarHBondContact O-CB 3.21Å; A58-L62 PolarHBondContact O-N 2.82Å; L62-D64 PolarHBondContact O-N 3.29Å; L62-W65 VanDerWaalsContact O-CB 3.27Å; L62-W65 WeakPolarHBondContact O-CB 3.44Å; L62-W65 PolarHBondContact O-N 3.4Å; L62-W65 VanDerWaalsContact O-N 3.13Å; L62-L74 HydrophobicContact CB-CD1 3.65Å; L62-L74 HydrophobicContact CB-CD2 3.61Å; L62-L74 HydrophobicContact CB-CG 4.23Å; L62-L74 HydrophobicContact CD1-CD2 3.87Å; L62-L74 HydrophobicContact CG-CD2 4.36Å; L62-L124 HydrophobicContact CD2-CD1 3.8Å; L62-L124 HydrophobicContact CD2-CD2 4.26Å
63	H	84.8	Confident	85	Confident	81 Å²	81	43 Å²	43	38%	0.375	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	133.2	171.2	-172.8	-78.8	0	0	0	109.9	L59 W65 L74	L59-H63 WeakPolarHBondContact O-CB 3.33Å; H63-W65 PolarHBondContact O-N 2.87Å; H63-L74 PolarHBondContact CD2-O 2.98Å
64	D	84.5	Confident	85.3	Confident	83 Å²	83	41.4 Å²	41.4	44%	0.444	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	15.3	-173.7	-71.7	-53.4	0	0	0	115.7	L62 P66 K71 L72	L62-D64 PolarHBondContact O-N 3.29Å; D64-P66 WeakPolarHBondContact O-CD 3.28Å; D64-K71 HydrophobicContact CB-CD 4.36Å; D64-L72 WeakPolarHBondContact CA-O 3.27Å; D64-L72 PolarHBondContact N-O 3.37Å
65	W	86.1	Confident	85	Confident	22 Å²	22	42.2 Å²	42.2	8%	0.083	22%	0.218	C	C	.	.			trans	-64.6	122.1	178.6	-169.7	-89.3	0	0	0	110.9	M21 L61 L62 H63 L67 K71 L72 R121 L124 Q125	M21-W65 HydrophobicContact CE-CD2 4.44Å; M21-W65 HydrophobicContact CE-CG 4.12Å; L61-W65 VanDerWaalsContact O-CE3 3.3Å; L62-W65 VanDerWaalsContact O-CB 3.27Å; L62-W65 WeakPolarHBondContact O-CB 3.44Å; L62-W65 PolarHBondContact O-N 3.4Å; L62-W65 VanDerWaalsContact O-N 3.13Å; H63-W65 PolarHBondContact O-N 2.87Å; W65-L67 PolarHBondContact O-N 3.25Å; W65-K71 WeakPolarHBondContact O-CA 3.43Å; W65-L72 HydrophobicContact CB-CB 4.35Å; W65-L72 HydrophobicContact CB-CD1 4.3Å; W65-L72 PolarHBondContact O-N 3.1Å; W65-R121 HydrophobicContact CH2-CG 4.03Å; W65-R121 HydrophobicContact CZ3-CG 3.92Å; W65-L124 HydrophobicContact CH2-CB 3.93Å; W65-L124 HydrophobicContact CZ2-CB 4.09Å; W65-Q125 HydrophobicContact CH2-CG 3.75Å; W65-Q125 HydrophobicContact CZ2-CG 3.93Å
66	P	85.1	Confident	84.7	Confident	89 Å²	89	43.5 Å²	43.5	58%	0.578	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	122	-180	29.3	-33	0	0	0	110.1	D64	D64-P66 WeakPolarHBondContact O-CD 3.28Å
67	L	79.7	Confident	84.4	Confident	8 Å²	8	45 Å²	45	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	84.4	180	-148.4	77.2	0	0	0	108.9	H10 V13 I18 M21 W65 K70 L72 V128	H10-L67 WeakPolarHBondContact CB-O 3.47Å; V13-L67 HydrophobicContact CB-CD2 4.03Å; V13-L67 HydrophobicContact CG1-CD2 3.61Å; V13-L67 HydrophobicContact CG2-CD2 3.43Å; V13-L67 VanDerWaalsContact CG2-CD2 3.43Å; V13-L67 HydrophobicContact CG2-CG 3.71Å; I18-L67 HydrophobicContact CD1-CD2 3.53Å; M21-L67 HydrophobicContact CE-CD1 4.28Å; M21-L67 HydrophobicContact SD-CD1 4.11Å; W65-L67 PolarHBondContact O-N 3.25Å; L67-K70 CarbonylContact C-O 3.5Å; L67-K70 PolarHBondContact N-O 2.96Å; L67-L72 HydrophobicContact CB-CG 4.33Å; L67-L72 HydrophobicContact CD2-CD1 4.23Å; L67-L72 HydrophobicContact CD2-CD2 4.17Å; L67-L72 HydrophobicContact CD2-CG 4.32Å; L67-V128 HydrophobicContact CD1-CG2 4.34Å
68	G	75.9	Confident	84	Confident	43 Å²	43	48.1 Å²	48.1	44%	0.443	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-132.4	-169.2	0	0	0	0	0	111.5	K70	G68-K70 VanDerWaalsContact C-N 3.26Å; G68-K70 PolarHBondContact O-N 2.82Å
69	D	80	Confident	83.6	Confident	131 Å²	131	53 Å²	53	70%	0.701	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-1.4	-178	-57.9	-32.7	0	0	0	113.7	H10	H10-D69 IonicContact NE2-OD2 3.93Å
70	K	83	Confident	83.3	Confident	91 Å²	91	52.6 Å²	52.6	40%	0.396	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152	-175.6	-66.2	-178.3	176.1	-166.9	0	110.8	L67 G68	L67-K70 CarbonylContact C-O 3.5Å; L67-K70 PolarHBondContact N-O 2.96Å; G68-K70 VanDerWaalsContact C-N 3.26Å; G68-K70 PolarHBondContact O-N 2.82Å
71	K	88.3	Confident	83.1	Confident	118 Å²	118	53 Å²	53	51%	0.513	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.7	173.8	-65	-177.8	-179.3	-178.3	0	110	N8 D64 W65	N8-K71 WeakPolarHBondContact CB-O 3.47Å; N8-K71 PolarHBondContact ND2-O 2.81Å; D64-K71 HydrophobicContact CB-CD 4.36Å; W65-K71 WeakPolarHBondContact O-CA 3.43Å
72	L	88.9	Confident	82.9	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.016	29%	0.294	C	S	.	.			trans	-65.9	140	174.7	-67.8	-179.3	0	0	0	110.7	I9 I18 M21 D64 W65 L67 L74	I9-L72 HydrophobicContact CB-CD2 4.32Å; I9-L72 HydrophobicContact CG1-CD2 3.81Å; I18-L72 HydrophobicContact CD1-CD1 4.22Å; I18-L72 HydrophobicContact CD1-CD2 4.35Å; M21-L72 HydrophobicContact CE-CD1 4.35Å; D64-L72 WeakPolarHBondContact CA-O 3.27Å; D64-L72 PolarHBondContact N-O 3.37Å; W65-L72 HydrophobicContact CB-CB 4.35Å; W65-L72 HydrophobicContact CB-CD1 4.3Å; W65-L72 PolarHBondContact O-N 3.1Å; L67-L72 HydrophobicContact CB-CG 4.33Å; L67-L72 HydrophobicContact CD2-CD1 4.23Å; L67-L72 HydrophobicContact CD2-CD2 4.17Å; L67-L72 HydrophobicContact CD2-CG 4.32Å; L72-L74 HydrophobicContact CB-CD1 4.01Å
73	V	86.4	Confident	82.8	Confident	30 Å²	30	60.7 Å²	60.7	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.3	177.6	176.1	0	0	0	0	106.8	G7 N8 K75	G7-V73 PolarHBondContact N-O 3.46Å; G7-V73 PolarHBondContact O-N 2.81Å; N8-V73 HydrophobicContact CB-CB 4.47Å; N8-V73 HydrophobicContact CB-CG2 4Å; V73-K75 HydrophobicContact CG1-CD 3.95Å; V73-K75 HydrophobicContact CG1-CG 4.12Å
74	L	88.8	Confident	82.7	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.2	176.9	-85.4	77.3	0	0	0	110.6	V4 F5 V6 L22 A58 L59 L62 H63 L72	V4-L74 HydrophobicContact CG1-CB 4.36Å; V4-L74 HydrophobicContact CG1-CD2 4.03Å; V4-L74 HydrophobicContact CG1-CG 4.35Å; F5-L74 CarbonylContact O-C 3.43Å; F5-L74 VanDerWaalsContact O-CA 3.26Å; F5-L74 WeakPolarHBondContact O-CA 3.35Å; V6-L74 HydrophobicContact CG1-CD1 4.04Å; V6-L74 HydrophobicContact CG1-CG 4.41Å; V6-L74 HydrophobicContact CG2-CD2 4.3Å; V6-L74 HydrophobicContact CG2-CG 4.08Å; L22-L74 HydrophobicContact CD2-CD2 4.49Å; A58-L74 HydrophobicContact CB-CD2 4.13Å; L59-L74 HydrophobicContact CD2-CB 4.08Å; L59-L74 WeakPolarHBondContact CD2-O 3.18Å; L62-L74 HydrophobicContact CB-CD1 3.65Å; L62-L74 HydrophobicContact CB-CD2 3.61Å; L62-L74 HydrophobicContact CB-CG 4.23Å; L62-L74 HydrophobicContact CD1-CD2 3.87Å; L62-L74 HydrophobicContact CG-CD2 4.36Å; H63-L74 PolarHBondContact CD2-O 2.98Å; L72-L74 HydrophobicContact CB-CD1 4.01Å
75	K	82.7	Confident	82.5	Confident	26 Å²	26	55.6 Å²	55.6	11%	0.113	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155	-176.1	-66.5	172.7	178	-175.9	0	111.1	V4 F5 V73 E395 E397	V4-K75 CarbonylContact C-O 3.53Å; F5-K75 HydrophobicContact CB-CB 4.37Å; F5-K75 HydrophobicContact CD1-CB 4.25Å; F5-K75 HydrophobicContact CD1-CD 4.46Å; F5-K75 PolarHBondContact N-O 2.85Å; F5-K75 PolarHBondContact O-N 2.85Å; V73-K75 HydrophobicContact CG1-CD 3.95Å; V73-K75 HydrophobicContact CG1-CG 4.12Å; K75-E395 WeakPolarHBondContact CD-OE2 3.47Å; K75-E395 WeakPolarHBondContact CE-OE1 3.31Å; K75-E395 WeakPolarHBondContact CE-OE2 3.37Å; K75-E395 IonicContact NZ-OE1 2.97Å; K75-E395 PolarHBondContact NZ-OE1 3.39Å; K75-E395 VanDerWaalsContact NZ-OE1 3.14Å; K75-E395 IonicContact NZ-OE2 3.84Å; K75-E395 PolarHBondContact NZ-OE2 2.95Å; K75-E397 WeakPolarHBondContact CD-OE1 3.31Å; K75-E397 WeakPolarHBondContact CE-OE1 3.5Å; K75-E397 IonicContact NZ-OE1 2.86Å; K75-E397 PolarHBondContact NZ-OE1 3.15Å
76	C	83	Confident	82.3	Confident	28 Å²	28	60.9 Å²	60.9	19%	0.189	31%	0.312	C	S	.	.			trans	-125.1	146.6	173.3	-76.2	0	0	0	0	109.7	T3 T55 L59 N80 L84	T3-C76 PolarHBondContact O-SG 3.48Å; T55-C76 WeakPolarHBondContact CG2-SG 3.36Å; L59-C76 HydrophobicContact CD1-CB 4.46Å; C76-N80 HydrophobicContact CB-CB 4.36Å; C76-L84 HydrophobicContact CB-CD1 4.34Å
77	D	78.5	Confident	82.1	Confident	36 Å²	36	60.1 Å²	60.1	19%	0.193	30%	0.3	C	S	.	.			trans	-59.3	154.1	177	-59.3	-44.6	0	0	0	111.9	T3 K79 N80 K81	T3-D77 PolarHBondContact OG1-OD2 2.9Å; D77-K79 PolarHBondContact O-N 3.31Å; D77-N80 HydrophobicContact CB-CB 4.46Å; D77-N80 CarbonylContact O-C 3.49Å; D77-N80 WeakPolarHBondContact O-CA 3.48Å; D77-N80 PolarHBondContact O-N 3.03Å; D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 PolarHBondContact O-N 3.38Å
78	E	77.3	Confident	82.1	Confident	108 Å²	108	60.6 Å²	60.6	51%	0.505	30%	0.303	S	S	.	.	H	α-helix	trans	-57.1	-37.8	-179.9	-176.8	57.9	-151.1	0	0	112.4	K81 K82	E78-K81 PolarHBondContact O-N 3.49Å; E78-K82 WeakPolarHBondContact O-CG 3.26Å; E78-K82 PolarHBondContact O-N 3.05Å; E78-K82 VanDerWaalsContact O-N 3.1Å; E78-K82 VanDerWaalsContact OE1-CE 3.25Å; E78-K82 WeakPolarHBondContact OE1-CE 3.39Å
79	K	78.6	Confident	82.2	Confident	102 Å²	102	60.4 Å²	60.4	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-46.6	174.1	-67.2	-177.6	-179.2	179.3	0	111.1	D77 K82 T83 E427	D77-K79 PolarHBondContact O-N 3.31Å; K79-K82 PolarHBondContact O-N 2.89Å; K79-T83 PolarHBondContact O-N 3.17Å; K79-E427 IonicContact NZ-OE2 2.77Å; K79-E427 PolarHBondContact NZ-OE2 3.22Å
80	N	81.7	Confident	82.2	Confident	22 Å²	22	60.9 Å²	60.9	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-35.5	178.3	-71.4	-15.9	0	0	0	111.4	T3 C76 D77 K82 T83 L84	T3-N80 PolarHBondContact N-ND2 3.08Å; T3-N80 VanDerWaalsContact N-ND2 3.17Å; T3-N80 PolarHBondContact O-ND2 3.18Å; T3-N80 PolarHBondContact OG1-ND2 3.45Å; C76-N80 HydrophobicContact CB-CB 4.36Å; D77-N80 HydrophobicContact CB-CB 4.46Å; D77-N80 CarbonylContact O-C 3.49Å; D77-N80 WeakPolarHBondContact O-CA 3.48Å; D77-N80 PolarHBondContact O-N 3.03Å; N80-K82 VanDerWaalsContact C-N 3.31Å; N80-K82 PolarHBondContact O-N 3.25Å; N80-T83 WeakPolarHBondContact CA-OG1 3.41Å; N80-T83 PolarHBondContact O-N 2.78Å; N80-T83 PolarHBondContact O-OG1 2.97Å; N80-L84 VanDerWaalsContact O-CB 3.31Å; N80-L84 WeakPolarHBondContact O-CB 3.3Å; N80-L84 WeakPolarHBondContact O-CG 3.5Å; N80-L84 PolarHBondContact O-N 3.36Å
81	K	80.3	Confident	81.7	Confident	70 Å²	70	59.3 Å²	59.3	30%	0.304	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-43.5	174.7	-166.2	174.8	-172.8	170.9	0	111.1	D77 E78 L84 I85 D105	D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 PolarHBondContact O-N 3.38Å; E78-K81 PolarHBondContact O-N 3.49Å; K81-L84 PolarHBondContact O-N 2.84Å; K81-I85 HydrophobicContact CG-CD1 4.12Å; K81-I85 WeakPolarHBondContact O-CD1 3.49Å; K81-I85 WeakPolarHBondContact O-CG1 3.46Å; K81-I85 PolarHBondContact O-N 2.95Å; K81-D105 IonicContact NZ-OD1 2.75Å; K81-D105 PolarHBondContact NZ-OD1 3.06Å
82	K	81.1	Confident	80.8	Confident	118 Å²	118	54.7 Å²	54.7	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-48.2	174.8	-69.9	173.5	-174.5	174.9	0	112.4	E78 K79 N80 L84 I85 E86	E78-K82 WeakPolarHBondContact O-CG 3.26Å; E78-K82 PolarHBondContact O-N 3.05Å; E78-K82 VanDerWaalsContact O-N 3.1Å; E78-K82 VanDerWaalsContact OE1-CE 3.25Å; E78-K82 WeakPolarHBondContact OE1-CE 3.39Å; K79-K82 PolarHBondContact O-N 2.89Å; N80-K82 VanDerWaalsContact C-N 3.31Å; N80-K82 PolarHBondContact O-N 3.25Å; K82-L84 VanDerWaalsContact C-N 3.28Å; K82-L84 PolarHBondContact O-N 3.2Å; K82-I85 PolarHBondContact O-N 3.18Å; K82-E86 WeakPolarHBondContact O-CG 3.48Å; K82-E86 PolarHBondContact O-N 3.38Å
83	T	83.4	Confident	80.2	Confident	64 Å²	64	61.7 Å²	61.7	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-34.6	178.7	60.7	0	0	0	0	112.2	K79 N80 F87	K79-T83 PolarHBondContact O-N 3.17Å; N80-T83 WeakPolarHBondContact CA-OG1 3.41Å; N80-T83 PolarHBondContact O-N 2.78Å; N80-T83 PolarHBondContact O-OG1 2.97Å; T83-F87 VanDerWaalsContact O-CB 3.3Å; T83-F87 WeakPolarHBondContact O-CB 3.38Å; T83-F87 PolarHBondContact O-N 2.87Å
84	L	82.6	Confident	79.4	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-43.1	173.5	-70.2	172.7	0	0	0	112.1	T2 P52 T55 L56 L59 C76 N80 K81 K82 F87 I88	T2-L84 HydrophobicContact CG2-CD2 4.17Å; P52-L84 HydrophobicContact CB-CD2 3.59Å; P52-L84 WeakPolarHBondContact O-CD2 3.4Å; T55-L84 HydrophobicContact CG2-CD1 3.72Å; T55-L84 HydrophobicContact CG2-CD2 4.19Å; L56-L84 HydrophobicContact CD2-CB 4.14Å; L56-L84 HydrophobicContact CD2-CD1 4.36Å; L56-L84 HydrophobicContact CD2-CD2 4.17Å; L56-L84 HydrophobicContact CD2-CG 4.45Å; L56-L84 HydrophobicContact CG-CD2 4.06Å; L59-L84 HydrophobicContact CD1-CD1 4.25Å; C76-L84 HydrophobicContact CB-CD1 4.34Å; N80-L84 VanDerWaalsContact O-CB 3.31Å; N80-L84 WeakPolarHBondContact O-CB 3.3Å; N80-L84 WeakPolarHBondContact O-CG 3.5Å; N80-L84 PolarHBondContact O-N 3.36Å; K81-L84 PolarHBondContact O-N 2.84Å; K82-L84 VanDerWaalsContact C-N 3.28Å; K82-L84 PolarHBondContact O-N 3.2Å; L84-F87 WeakPolarHBondContact O-CB 3.38Å; L84-F87 PolarHBondContact O-N 3.39Å; L84-I88 WeakPolarHBondContact O-CD1 3.46Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.5Å; L84-I88 PolarHBondContact O-N 3.12Å
85	I	80.3	Confident	78.2	Confident	50 Å²	50	74.4 Å²	74.4	26%	0.256	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-45.3	175.8	-69.3	163	0	0	0	110.7	K81 K82 F87 I88 N89 L102	K81-I85 HydrophobicContact CG-CD1 4.12Å; K81-I85 WeakPolarHBondContact O-CD1 3.49Å; K81-I85 WeakPolarHBondContact O-CG1 3.46Å; K81-I85 PolarHBondContact O-N 2.95Å; K82-I85 PolarHBondContact O-N 3.18Å; I85-F87 VanDerWaalsContact C-N 3.32Å; I85-F87 PolarHBondContact O-N 3.12Å; I85-I88 PolarHBondContact O-N 2.9Å; I85-N89 WeakPolarHBondContact O-CB 3.39Å; I85-N89 PolarHBondContact O-N 3.42Å; I85-L102 HydrophobicContact CG1-CD1 4.34Å
86	E	83.3	Confident	77.1	Confident	133 Å²	133	76.6 Å²	76.6	62%	0.621	38%	0.376	S	S	*	.	H	α-helix	trans	-59.1	-43.6	174.3	-74	176	-170.7	0	0	111.5	K82 I88 N89 K90	K82-E86 WeakPolarHBondContact O-CG 3.48Å; K82-E86 PolarHBondContact O-N 3.38Å; E86-I88 PolarHBondContact O-N 3.4Å; E86-N89 PolarHBondContact O-N 2.88Å; E86-K90 WeakPolarHBondContact O-CB 3.43Å; E86-K90 PolarHBondContact O-N 3.31Å
87	F	80.9	Confident	76.1	Confident	73 Å²	73	79.2 Å²	79.2	32%	0.32	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-42.6	176.7	-177.4	-99.1	0	0	0	112.1	P52 D53 L56 T83 L84 I85 R91	P52-F87 HydrophobicContact CB-CD1 4.11Å; P52-F87 HydrophobicContact CB-CD2 4.45Å; P52-F87 HydrophobicContact CB-CE1 4.44Å; P52-F87 HydrophobicContact CB-CG 4.11Å; P52-F87 HydrophobicContact CG-CD1 3.89Å; P52-F87 HydrophobicContact CG-CD2 3.62Å; P52-F87 HydrophobicContact CG-CE1 3.9Å; P52-F87 HydrophobicContact CG-CE2 3.63Å; P52-F87 HydrophobicContact CG-CG 3.75Å; P52-F87 HydrophobicContact CG-CZ 3.78Å; D53-F87 HydrophobicContact CB-CE1 4.28Å; L56-F87 HydrophobicContact CD1-CD1 4.36Å; T83-F87 VanDerWaalsContact O-CB 3.3Å; T83-F87 WeakPolarHBondContact O-CB 3.38Å; T83-F87 PolarHBondContact O-N 2.87Å; L84-F87 WeakPolarHBondContact O-CB 3.38Å; L84-F87 PolarHBondContact O-N 3.39Å; I85-F87 VanDerWaalsContact C-N 3.32Å; I85-F87 PolarHBondContact O-N 3.12Å; F87-R91 WeakPolarHBondContact O-CB 3.29Å; F87-R91 PolarHBondContact O-N 3.18Å
88	I	79.3	Confident	75.1	Confident	18 Å²	18	82.3 Å²	82.3	9%	0.092	41%	0.407	C	S	.	.	H	α-helix	trans	-63.5	-45.4	176.2	-69.3	159.8	0	0	0	111.1	L56 L84 I85 E86 R91 R92 L100 L107	L56-I88 HydrophobicContact CD1-CD1 3.79Å; L56-I88 HydrophobicContact CD1-CG1 3.56Å; L56-I88 HydrophobicContact CD2-CD1 3.76Å; L56-I88 HydrophobicContact CD2-CG1 4.46Å; L56-I88 HydrophobicContact CG-CD1 4.44Å; L84-I88 WeakPolarHBondContact O-CD1 3.46Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.5Å; L84-I88 PolarHBondContact O-N 3.12Å; I85-I88 PolarHBondContact O-N 2.9Å; E86-I88 PolarHBondContact O-N 3.4Å; I88-R91 PolarHBondContact O-N 2.97Å; I88-R92 HydrophobicContact CG2-CG 4.41Å; I88-R92 WeakPolarHBondContact O-CB 3.07Å; I88-R92 WeakPolarHBondContact O-CG 3.42Å; I88-R92 PolarHBondContact O-N 3.35Å; I88-L100 HydrophobicContact CG2-CD1 4.49Å; I88-L107 HydrophobicContact CD1-CD2 3.15Å
89	N	77.7	Confident	74.2	Confident	39 Å²	39	82.1 Å²	82.1	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-65.3	-42.4	-179.7	-78.1	-25.9	0	0	0	111.5	I85 E86 R91 R92 E93 L100	I85-N89 WeakPolarHBondContact O-CB 3.39Å; I85-N89 PolarHBondContact O-N 3.42Å; E86-N89 PolarHBondContact O-N 2.88Å; N89-R91 VanDerWaalsContact C-N 3.3Å; N89-R91 PolarHBondContact O-N 3.46Å; N89-R92 PolarHBondContact O-N 2.79Å; N89-E93 WeakPolarHBondContact O-CB 3.43Å; N89-E93 PolarHBondContact O-N 3.44Å; N89-L100 WeakPolarHBondContact OD1-CB 3.39Å; N89-L100 PolarHBondContact OD1-N 3.34Å
90	K	79.6	Confident	73.2	Confident	142 Å²	142	79 Å²	79	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-60.8	-39.8	173	-172.2	174.4	-174.9	175.5	0	112	E86 L94	E86-K90 WeakPolarHBondContact O-CB 3.43Å; E86-K90 PolarHBondContact O-N 3.31Å; K90-L94 WeakPolarHBondContact O-CG 3.43Å; K90-L94 PolarHBondContact O-N 2.91Å
91	R	74	Confident	71.8	Confident	57 Å²	57	84.3 Å²	84.3	22%	0.215	44%	0.436	C	S	.	.	H	α-helix	trans	-67.1	-42.1	175.6	-159.3	176.5	81.1	175.9	6.4	111.4	D53 F87 I88 N89 E93 L94 Y95 M113	D53-R91 IonicContact OD1-NH1 3.41Å; D53-R91 PolarHBondContact OD1-NH1 2.92Å; F87-R91 WeakPolarHBondContact O-CB 3.29Å; F87-R91 PolarHBondContact O-N 3.18Å; I88-R91 PolarHBondContact O-N 2.97Å; N89-R91 VanDerWaalsContact C-N 3.3Å; N89-R91 PolarHBondContact O-N 3.46Å; R91-E93 VanDerWaalsContact C-N 3.32Å; R91-E93 PolarHBondContact O-N 2.98Å; R91-L94 WeakPolarHBondContact O-CB 3.3Å; R91-L94 PolarHBondContact O-N 2.98Å; R91-Y95 HydrophobicContact CG-CD2 4.12Å; R91-Y95 HydrophobicContact CG-CE2 3.81Å; R91-Y95 WeakPolarHBondContact O-CD2 3.28Å; R91-Y95 PolarHBondContact O-N 3.37Å; R91-M113 PolarHBondContact NH2-SD 3Å
92	R	69.2	Low	70.5	Confident	21 Å²	21	83 Å²	83	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-62.5	-39	176.4	-76.9	172.1	172.4	-118.9	-8.2	112.6	I88 N89 L94 Y95 G96 K97	I88-R92 HydrophobicContact CG2-CG 4.41Å; I88-R92 WeakPolarHBondContact O-CB 3.07Å; I88-R92 WeakPolarHBondContact O-CG 3.42Å; I88-R92 PolarHBondContact O-N 3.35Å; N89-R92 PolarHBondContact O-N 2.79Å; R92-L94 VanDerWaalsContact C-N 3.32Å; R92-L94 PolarHBondContact O-N 2.83Å; R92-Y95 CarbonylContact O-C 3.58Å; R92-Y95 PolarHBondContact O-N 3.29Å; R92-Y95 VanDerWaalsContact O-N 3.13Å; R92-G96 PolarHBondContact O-N 3.27Å; R92-G96 VanDerWaalsContact O-N 3.07Å; R92-K97 HydrophobicContact CB-CB 4.12Å; R92-K97 HydrophobicContact CG-CB 4.37Å; R92-K97 PolarHBondContact O-N 3.31Å
93	E	75.2	Confident	68.7	Low	150 Å²	150	86.5 Å²	86.5	70%	0.701	45%	0.45	S	S	*	.	H	α-helix	trans	-58.8	-43.9	174.1	-173.8	175.3	-161.4	0	0	111.4	N89 R91 Y95 G96	N89-E93 WeakPolarHBondContact O-CB 3.43Å; N89-E93 PolarHBondContact O-N 3.44Å; R91-E93 VanDerWaalsContact C-N 3.32Å; R91-E93 PolarHBondContact O-N 2.98Å; E93-Y95 VanDerWaalsContact C-N 3.27Å; E93-Y95 PolarHBondContact O-N 3.44Å; E93-G96 PolarHBondContact O-N 3.5Å
94	L	69.2	Low	67.2	Low	144 Å²	144	86 Å²	86	75%	0.754	46%	0.457	S	S	*	.	H	α-helix	trans	-62.4	-31.5	175.5	-69	168.8	0	0	0	113.3	K90 R91 R92	K90-L94 WeakPolarHBondContact O-CG 3.43Å; K90-L94 PolarHBondContact O-N 2.91Å; R91-L94 WeakPolarHBondContact O-CB 3.3Å; R91-L94 PolarHBondContact O-N 2.98Å; R92-L94 VanDerWaalsContact C-N 3.32Å; R92-L94 PolarHBondContact O-N 2.83Å
95	Y	63.9	Low	65.8	Low	156 Å²	156	91.5 Å²	91.5	61%	0.612	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	9.5	175.8	-68.9	-74.3	0	0	0	113.5	R91 R92 E93 K97	R91-Y95 HydrophobicContact CG-CD2 4.12Å; R91-Y95 HydrophobicContact CG-CE2 3.81Å; R91-Y95 WeakPolarHBondContact O-CD2 3.28Å; R91-Y95 PolarHBondContact O-N 3.37Å; R92-Y95 CarbonylContact O-C 3.58Å; R92-Y95 PolarHBondContact O-N 3.29Å; R92-Y95 VanDerWaalsContact O-N 3.13Å; E93-Y95 VanDerWaalsContact C-N 3.27Å; E93-Y95 PolarHBondContact O-N 3.44Å; Y95-K97 PolarHBondContact O-N 3.01Å
96	G	59.4	Low	64.4	Low	71 Å²	71	97.3 Å²	97.3	73%	0.732	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	20.7	179.1	0	0	0	0	0	114.6	R92 E93	R92-G96 PolarHBondContact O-N 3.27Å; R92-G96 VanDerWaalsContact O-N 3.07Å; E93-G96 PolarHBondContact O-N 3.5Å
97	K	63.5	Low	63.1	Low	83 Å²	83	93.4 Å²	93.4	36%	0.361	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-91.8	144.5	177.2	-67.2	179.6	-176.8	175	0	110.1	R92 Y95 D110	R92-K97 HydrophobicContact CB-CB 4.12Å; R92-K97 HydrophobicContact CG-CB 4.37Å; R92-K97 PolarHBondContact O-N 3.31Å; Y95-K97 PolarHBondContact O-N 3.01Å; K97-D110 IonicContact NZ-OD1 3.69Å; K97-D110 PolarHBondContact NZ-OD1 2.98Å; K97-D110 IonicContact NZ-OD2 2.7Å; K97-D110 PolarHBondContact NZ-OD2 3.34Å
98	P	57.1	Low	61.6	Low	102 Å²	102	92.6 Å²	92.6	66%	0.662	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-60.4	148.1	-179.9	24.4	-33.3	0	0	0	111.7
99	P	57.9	Low	60.4	Low	104 Å²	104	93.1 Å²	93.1	68%	0.675	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-60.5	141.9	176.5	27	-34.2	0	0	0	109.5
100	L	56.9	Low	59.2	Low	37 Å²	37	92.9 Å²	92.9	19%	0.194	50%	0.504	C	S	.	.			trans	-96.7	109.1	-173.7	-154.7	-178.7	0	0	0	107.9	I88 N89 L102 P108	I88-L100 HydrophobicContact CG2-CD1 4.49Å; N89-L100 WeakPolarHBondContact OD1-CB 3.39Å; N89-L100 PolarHBondContact OD1-N 3.34Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L100-L102 HydrophobicContact CB-CG 4.37Å; L100-L102 HydrophobicContact CD1-CD1 3.93Å; L100-L102 HydrophobicContact CD1-CD2 3.89Å; L100-L102 HydrophobicContact CD1-CG 3.89Å; L100-L102 HydrophobicContact CG-CD1 4.33Å; L100-L102 HydrophobicContact CG-CD2 4.02Å; L100-L102 HydrophobicContact CG-CG 3.84Å; L100-L102 PolarHBondContact O-N 2.85Å; L100-L102 VanDerWaalsContact O-N 3.16Å; L100-P108 HydrophobicContact CD1-CB 4.42Å; L100-P108 HydrophobicContact CD1-CG 3.59Å; L100-P108 HydrophobicContact CD2-CG 4.23Å; L100-P108 HydrophobicContact CG-CG 4.31Å
101	V	52.2	Low	58.1	Low	133 Å²	133	91.9 Å²	91.9	81%	0.806	51%	0.505	S	S	*	.			trans	-80	92	166.5	-175.8	0	0	0	0	106.3	E103	V101-E103 PolarHBondContact O-N 3.48Å
102	L	54.5	Low	57.2	Low	42 Å²	42	96.6 Å²	96.6	22%	0.22	53%	0.53	C	S	.	.			trans	-82.2	96.5	177.4	-74.4	161.4	0	0	0	109.3	I85 L100 Q106 L107 P108	I85-L102 HydrophobicContact CG1-CD1 4.34Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L100-L102 HydrophobicContact CB-CG 4.37Å; L100-L102 HydrophobicContact CD1-CD1 3.93Å; L100-L102 HydrophobicContact CD1-CD2 3.89Å; L100-L102 HydrophobicContact CD1-CG 3.89Å; L100-L102 HydrophobicContact CG-CD1 4.33Å; L100-L102 HydrophobicContact CG-CD2 4.02Å; L100-L102 HydrophobicContact CG-CG 3.84Å; L100-L102 PolarHBondContact O-N 2.85Å; L100-L102 VanDerWaalsContact O-N 3.16Å; L102-Q106 WeakPolarHBondContact CD2-O 3.34Å; L102-L107 HydrophobicContact CD1-CD2 4.1Å; L102-P108 HydrophobicContact CD2-CG 4.13Å
103	E	43	Very low	57	Low	192 Å²	192	96.8 Å²	96.8	90%	0.897	53%	0.532	S	S	*	.			trans	-84.7	104.9	156.3	-72.6	-167.8	161.3	0	0	108.2	V101	V101-E103 PolarHBondContact O-N 3.48Å
104	G	51.1	Low	56.6	Low	53 Å²	53	94.7 Å²	94.7	55%	0.546	52%	0.52	S	S	.	.	S	Bend	trans	108.7	178	174.8	0	0	0	0	0	116.2	Q106	G104-Q106 VanDerWaalsContact C-N 3.28Å; G104-Q106 PolarHBondContact O-N 3.19Å
105	D	53.2	Low	56.7	Low	121 Å²	121	95.2 Å²	95.2	65%	0.647	52%	0.516	S	S	*	.	S	Bend	trans	-78.3	4.4	-172.4	-73.6	-30.8	0	0	0	115.7	K81 L107	K81-D105 IonicContact NZ-OD1 2.75Å; K81-D105 PolarHBondContact NZ-OD1 3.06Å; D105-L107 PolarHBondContact O-N 3.05Å
106	Q	51.9	Low	57.2	Low	172 Å²	172	92.1 Å²	92.1	80%	0.804	51%	0.508	S	S	*	.			trans	-95.5	96.3	-174.7	-68.9	-171.2	59.2	0	0	112	L102 G104 P108	L102-Q106 WeakPolarHBondContact CD2-O 3.34Å; G104-Q106 VanDerWaalsContact C-N 3.28Å; G104-Q106 PolarHBondContact O-N 3.19Å; Q106-P108 VanDerWaalsContact O-CD 3.23Å; Q106-P108 WeakPolarHBondContact O-CD 3.46Å
107	L	55.7	Low	58.1	Low	52 Å²	52	89.7 Å²	89.7	27%	0.272	48%	0.478	S	S	.	.			trans	-73.5	108.5	171.6	-73.5	156.9	0	0	0	111.3	L56 R60 I88 L102 D105 A109	L56-L107 HydrophobicContact CD2-CD1 3.93Å; L56-L107 HydrophobicContact CD2-CD2 4.18Å; R60-L107 PolarHBondContact NH2-O 2.99Å; I88-L107 HydrophobicContact CD1-CD2 3.15Å; L102-L107 HydrophobicContact CD1-CD2 4.1Å; D105-L107 PolarHBondContact O-N 3.05Å; L107-A109 PolarHBondContact O-N 3.04Å
108	P	50	Low	59.1	Low	55 Å²	55	89.8 Å²	89.8	36%	0.357	48%	0.48	S	S	.	.			trans	-68.7	119	-174.5	-19.1	34.6	0	0	0	110.8	R60 L100 L102 Q106 D110	R60-P108 PolarHBondContact NH2-O 3.27Å; L100-P108 HydrophobicContact CD1-CB 4.42Å; L100-P108 HydrophobicContact CD1-CG 3.59Å; L100-P108 HydrophobicContact CD2-CG 4.23Å; L100-P108 HydrophobicContact CG-CG 4.31Å; L102-P108 HydrophobicContact CD2-CG 4.13Å; Q106-P108 VanDerWaalsContact O-CD 3.23Å; Q106-P108 WeakPolarHBondContact O-CD 3.46Å; P108-D110 PolarHBondContact O-N 2.94Å
109	A	52.4	Low	60.4	Low	30 Å²	30	90.5 Å²	90.5	25%	0.248	47%	0.474	C	S	.	.			trans	-75.1	111.2	174.1	0	0	0	0	0	109.2	R60 L107 K114	R60-A109 VanDerWaalsContact CZ-CB 3.49Å; L107-A109 PolarHBondContact O-N 3.04Å; A109-K114 HydrophobicContact CB-CD 4.36Å; A109-K114 HydrophobicContact CB-CG 3.6Å; A109-K114 VanDerWaalsContact O-CE 3.28Å; A109-K114 WeakPolarHBondContact O-CE 3.26Å
110	D	54.1	Low	61.6	Low	34 Å²	34	88 Å²	88	18%	0.182	45%	0.453	C	S	.	.			trans	-54.5	140	159.2	-77.3	-32.6	0	0	0	108.5	K97 P108 E112 M113 K114	K97-D110 IonicContact NZ-OD1 3.69Å; K97-D110 PolarHBondContact NZ-OD1 2.98Å; K97-D110 IonicContact NZ-OD2 2.7Å; K97-D110 PolarHBondContact NZ-OD2 3.34Å; P108-D110 PolarHBondContact O-N 2.94Å; D110-E112 PolarHBondContact O-N 2.87Å; D110-M113 HydrophobicContact CB-CG 4.38Å; D110-M113 WeakPolarHBondContact O-CB 3.41Å; D110-M113 PolarHBondContact O-N 3.11Å; D110-K114 PolarHBondContact O-N 3.43Å
111	D	54.8	Low	63	Low	121 Å²	121	92 Å²	92	65%	0.647	47%	0.465	S	S	*	.	H	α-helix	trans	-59.1	-25.4	-170.6	-67.9	-43.5	0	0	0	114	K114 K115	D111-K114 PolarHBondContact O-N 3.17Å; D111-K114 IonicContact OD1-NZ 2.63Å; D111-K114 PolarHBondContact OD1-NZ 2.96Å; D111-K115 PolarHBondContact O-N 3.45Å
112	E	56.1	Low	64.7	Low	156 Å²	156	91.5 Å²	91.5	73%	0.729	45%	0.452	S	S	*	.	H	α-helix	trans	-67.4	-41.5	172.3	-68.7	-168.8	137.6	0	0	112.4	D110 K114 K115 E116	D110-E112 PolarHBondContact O-N 2.87Å; E112-K114 PolarHBondContact O-N 3.27Å; E112-K115 PolarHBondContact O-N 2.91Å; E112-E116 PolarHBondContact O-N 3.43Å
113	M	64.4	Low	66.2	Low	25 Å²	25	91.1 Å²	91.1	12%	0.123	46%	0.455	C	S	.	.	H	α-helix	trans	-62.8	-35.5	175.6	-61.2	-178	88.5	0	0	110.8	R60 R91 D110 K115 E116 D117	R60-M113 VanDerWaalsContact NH1-CE 3.28Å; R60-M113 PolarHBondContact NH1-SD 3.07Å; R91-M113 PolarHBondContact NH2-SD 3Å; D110-M113 HydrophobicContact CB-CG 4.38Å; D110-M113 WeakPolarHBondContact O-CB 3.41Å; D110-M113 PolarHBondContact O-N 3.11Å; M113-K115 VanDerWaalsContact C-N 3.3Å; M113-K115 PolarHBondContact O-N 2.94Å; M113-E116 PolarHBondContact O-N 2.91Å; M113-D117 WeakPolarHBondContact O-CB 3.26Å; M113-D117 PolarHBondContact O-N 3.29Å
114	K	67.9	Low	68.3	Low	106 Å²	106	82 Å²	82	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-36.7	178.5	-64.6	179.9	-172.4	155.2	0	112.7	A109 D110 D111 E112 E118	A109-K114 HydrophobicContact CB-CD 4.36Å; A109-K114 HydrophobicContact CB-CG 3.6Å; A109-K114 VanDerWaalsContact O-CE 3.28Å; A109-K114 WeakPolarHBondContact O-CE 3.26Å; D110-K114 PolarHBondContact O-N 3.43Å; D111-K114 PolarHBondContact O-N 3.17Å; D111-K114 IonicContact OD1-NZ 2.63Å; D111-K114 PolarHBondContact OD1-NZ 2.96Å; E112-K114 PolarHBondContact O-N 3.27Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 PolarHBondContact O-N 2.96Å
115	K	71.1	Confident	70	Confident	154 Å²	154	83.8 Å²	83.8	67%	0.67	41%	0.407	S	S	*	.	H	α-helix	trans	-70.3	-42	179.8	-172.6	-180	179.9	-176.7	0	111.1	D111 E112 M113 Q119	D111-K115 PolarHBondContact O-N 3.45Å; E112-K115 PolarHBondContact O-N 2.91Å; M113-K115 VanDerWaalsContact C-N 3.3Å; M113-K115 PolarHBondContact O-N 2.94Å; K115-Q119 WeakPolarHBondContact O-CG 3.27Å; K115-Q119 PolarHBondContact O-N 3.4Å
116	E	73.6	Confident	71.5	Confident	91 Å²	91	84.9 Å²	84.9	43%	0.425	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-48.4	172.8	-68.9	-175.4	-178.6	0	0	110.5	E112 M113 E118 Q119 F120	E112-E116 PolarHBondContact O-N 3.43Å; M113-E116 PolarHBondContact O-N 2.91Å; E116-E118 VanDerWaalsContact C-N 3.26Å; E116-E118 PolarHBondContact O-N 2.95Å; E116-Q119 WeakPolarHBondContact O-CA 3.39Å; E116-Q119 WeakPolarHBondContact O-CB 3.26Å; E116-Q119 PolarHBondContact O-N 3.12Å; E116-F120 HydrophobicContact CB-CD2 4.36Å; E116-F120 HydrophobicContact CB-CE2 4.08Å; E116-F120 WeakPolarHBondContact O-CD2 3.45Å; E116-F120 PolarHBondContact O-N 3.23Å
117	D	79.7	Confident	73.1	Confident	20 Å²	20	77.5 Å²	77.5	11%	0.107	37%	0.374	C	S	.	.	H	α-helix	trans	-53.8	-40.9	177.1	-72.6	-16.4	0	0	0	111.4	R60 L61 M113 F120 R121	R60-D117 IonicContact NH1-OD2 2.89Å; L61-D117 HydrophobicContact CD2-CB 3.78Å; L61-D117 WeakPolarHBondContact CD2-O 3.37Å; M113-D117 WeakPolarHBondContact O-CB 3.26Å; M113-D117 PolarHBondContact O-N 3.29Å; D117-F120 PolarHBondContact O-N 3.3Å; D117-R121 VanDerWaalsContact O-CB 3.27Å; D117-R121 WeakPolarHBondContact O-CB 3.16Å; D117-R121 PolarHBondContact O-N 3.48Å
118	E	82.7	Confident	74.4	Confident	85 Å²	85	75.6 Å²	75.6	40%	0.397	36%	0.364	S	S	.	.	H	α-helix	trans	-66.6	-36.7	175.5	-174.6	60.9	-157.8	0	0	112.8	K114 E116 R121 K122	K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 PolarHBondContact O-N 2.96Å; E116-E118 VanDerWaalsContact C-N 3.26Å; E116-E118 PolarHBondContact O-N 2.95Å; E118-R121 PolarHBondContact O-N 2.92Å; E118-K122 WeakPolarHBondContact O-CG 3.36Å; E118-K122 PolarHBondContact O-N 2.97Å; E118-K122 VanDerWaalsContact OE1-CE 3.24Å; E118-K122 WeakPolarHBondContact OE1-CE 3.38Å
119	Q	84.3	Confident	76	Confident	118 Å²	118	77.8 Å²	77.8	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-66.2	-44.2	174	-67.5	177.9	5.1	0	0	111.1	K115 E116 K122 A123	K115-Q119 WeakPolarHBondContact O-CG 3.27Å; K115-Q119 PolarHBondContact O-N 3.4Å; E116-Q119 WeakPolarHBondContact O-CA 3.39Å; E116-Q119 WeakPolarHBondContact O-CB 3.26Å; E116-Q119 PolarHBondContact O-N 3.12Å; Q119-K122 PolarHBondContact O-N 3.4Å; Q119-A123 PolarHBondContact O-N 2.92Å
120	F	84.8	Confident	77.3	Confident	51 Å²	51	83.5 Å²	83.5	22%	0.224	40%	0.398	C	S	.	.	H	α-helix	trans	-64.7	-40.2	175.8	-70.5	-69	0	0	0	111.7	K24 L61 E116 D117 K122 A123 L124	K24-F120 WeakPolarHBondContact O-CD1 3.07Å; L61-F120 HydrophobicContact CD1-CB 3.38Å; L61-F120 HydrophobicContact CD1-CG 4.21Å; E116-F120 HydrophobicContact CB-CD2 4.36Å; E116-F120 HydrophobicContact CB-CE2 4.08Å; E116-F120 WeakPolarHBondContact O-CD2 3.45Å; E116-F120 PolarHBondContact O-N 3.23Å; D117-F120 PolarHBondContact O-N 3.3Å; F120-K122 VanDerWaalsContact C-N 3.34Å; F120-K122 PolarHBondContact O-N 2.91Å; F120-A123 PolarHBondContact O-N 3.23Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 VanDerWaalsContact O-CG 3.29Å; F120-L124 WeakPolarHBondContact O-CG 3.24Å; F120-L124 PolarHBondContact O-N 3.23Å
121	R	85.9	Confident	78.3	Confident	122 Å²	122	85.9 Å²	85.9	46%	0.46	41%	0.409	S	S	.	.	H	α-helix	trans	-58.4	-44.7	174.8	-176.6	170.4	-167.8	177.7	5.1	111.9	L61 W65 D117 E118 L124 Q125	L61-R121 HydrophobicContact CD2-CB 4.47Å; W65-R121 HydrophobicContact CH2-CG 4.03Å; W65-R121 HydrophobicContact CZ3-CG 3.92Å; D117-R121 VanDerWaalsContact O-CB 3.27Å; D117-R121 WeakPolarHBondContact O-CB 3.16Å; D117-R121 PolarHBondContact O-N 3.48Å; E118-R121 PolarHBondContact O-N 2.92Å; R121-L124 PolarHBondContact O-N 2.87Å; R121-Q125 WeakPolarHBondContact O-CG 3.11Å; R121-Q125 PolarHBondContact O-N 3.15Å
122	K	86.8	Confident	79	Confident	122 Å²	122	80.3 Å²	80.3	53%	0.53	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.3	-72.9	175.5	-176.7	177	0	112.1	E118 Q119 F120 L124 Q125 Q126	E118-K122 WeakPolarHBondContact O-CG 3.36Å; E118-K122 PolarHBondContact O-N 2.97Å; E118-K122 VanDerWaalsContact OE1-CE 3.24Å; E118-K122 WeakPolarHBondContact OE1-CE 3.38Å; Q119-K122 PolarHBondContact O-N 3.4Å; F120-K122 VanDerWaalsContact C-N 3.34Å; F120-K122 PolarHBondContact O-N 2.91Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.37Å; K122-Q125 PolarHBondContact O-N 2.93Å; K122-Q126 WeakPolarHBondContact O-CB 3.5Å; K122-Q126 PolarHBondContact O-N 3.36Å
123	A	87.4	Confident	79.2	Confident	33 Å²	33	74.4 Å²	74.4	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-38.8	175.9	0	0	0	0	0	112.2	Q119 F120 Q126 L127	Q119-A123 PolarHBondContact O-N 2.92Å; F120-A123 PolarHBondContact O-N 3.23Å; A123-Q126 PolarHBondContact O-N 3.37Å; A123-L127 WeakPolarHBondContact O-CB 3.35Å; A123-L127 PolarHBondContact O-N 3.05Å
124	L	87.1	Confident	79	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-67	-43.3	174.8	-74	169.6	0	0	0	111.7	M21 K24 L61 L62 W65 F120 R121 K122 Q126 L127 V128	M21-L124 HydrophobicContact CB-CD2 3.82Å; M21-L124 HydrophobicContact CE-CD2 4.49Å; M21-L124 HydrophobicContact CG-CD2 3.98Å; K24-L124 HydrophobicContact CB-CD2 4.04Å; L61-L124 HydrophobicContact CB-CD1 4.23Å; L61-L124 HydrophobicContact CD1-CD1 4.43Å; L62-L124 HydrophobicContact CD2-CD1 3.8Å; L62-L124 HydrophobicContact CD2-CD2 4.26Å; W65-L124 HydrophobicContact CH2-CB 3.93Å; W65-L124 HydrophobicContact CZ2-CB 4.09Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 VanDerWaalsContact O-CG 3.29Å; F120-L124 WeakPolarHBondContact O-CG 3.24Å; F120-L124 PolarHBondContact O-N 3.23Å; R121-L124 PolarHBondContact O-N 2.87Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.37Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.45Å; L124-L127 WeakPolarHBondContact O-CB 3.4Å; L124-L127 PolarHBondContact O-N 2.96Å; L124-V128 VanDerWaalsContact O-CG2 3.31Å; L124-V128 WeakPolarHBondContact O-CG2 3.26Å; L124-V128 PolarHBondContact O-N 3.35Å
125	Q	85.3	Confident	78.5	Confident	92 Å²	92	77.6 Å²	77.6	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-59	-45.4	173.9	-76.5	174.9	-8.5	0	0	111.4	W65 R121 K122 L127 V128 V129	W65-Q125 HydrophobicContact CH2-CG 3.75Å; W65-Q125 HydrophobicContact CZ2-CG 3.93Å; R121-Q125 WeakPolarHBondContact O-CG 3.11Å; R121-Q125 PolarHBondContact O-N 3.15Å; K122-Q125 PolarHBondContact O-N 2.93Å; Q125-L127 VanDerWaalsContact C-N 3.33Å; Q125-L127 PolarHBondContact O-N 3.44Å; Q125-V128 PolarHBondContact O-N 3.18Å; Q125-V129 WeakPolarHBondContact O-CG2 3.4Å; Q125-V129 PolarHBondContact O-N 3.02Å
126	Q	86.5	Confident	77.6	Confident	143 Å²	143	74 Å²	74	67%	0.668	38%	0.376	S	S	*	.	H	α-helix	trans	-61.2	-42.9	177.5	-172.5	172.3	10.7	0	0	111.7	K122 A123 L124 V129 E130	K122-Q126 WeakPolarHBondContact O-CB 3.5Å; K122-Q126 PolarHBondContact O-N 3.36Å; A123-Q126 PolarHBondContact O-N 3.37Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.45Å; Q126-V129 PolarHBondContact O-N 3.48Å; Q126-E130 WeakPolarHBondContact O-CB 3.32Å; Q126-E130 PolarHBondContact O-N 3.37Å
127	L	85.3	Confident	76.2	Confident	17 Å²	17	76.4 Å²	76.4	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-41.2	177.7	-169.4	76	0	0	0	112.6	A20 M21 K24 A123 L124 Q125 E130 M131	A20-L127 HydrophobicContact CB-CD1 4.38Å; A20-L127 HydrophobicContact CB-CD2 3.73Å; A20-L127 HydrophobicContact CB-CG 4.46Å; M21-L127 HydrophobicContact CG-CD2 3.96Å; K24-L127 HydrophobicContact CG-CD2 4.14Å; A123-L127 WeakPolarHBondContact O-CB 3.35Å; A123-L127 PolarHBondContact O-N 3.05Å; L124-L127 WeakPolarHBondContact O-CB 3.4Å; L124-L127 PolarHBondContact O-N 2.96Å; Q125-L127 VanDerWaalsContact C-N 3.33Å; Q125-L127 PolarHBondContact O-N 3.44Å; L127-E130 PolarHBondContact O-N 2.98Å; L127-M131 HydrophobicContact CD1-CE 3.29Å; L127-M131 HydrophobicContact CD2-CE 3.95Å; L127-M131 HydrophobicContact CG-CE 3.37Å; L127-M131 PolarHBondContact O-N 2.91Å
128	V	82.8	Confident	74.3	Confident	12 Å²	12	79.7 Å²	79.7	7%	0.073	42%	0.417	C	S	.	.	H	α-helix	trans	-66.9	-38.5	176.4	172.6	0	0	0	0	110.7	L17 M21 L67 L124 Q125 A132	L17-V128 HydrophobicContact CD1-CG2 4.37Å; M21-V128 HydrophobicContact CE-CG2 4.11Å; M21-V128 HydrophobicContact SD-CG2 4.03Å; L67-V128 HydrophobicContact CD1-CG2 4.34Å; L124-V128 VanDerWaalsContact O-CG2 3.31Å; L124-V128 WeakPolarHBondContact O-CG2 3.26Å; L124-V128 PolarHBondContact O-N 3.35Å; Q125-V128 PolarHBondContact O-N 3.18Å; V128-A132 HydrophobicContact CG1-CB 4.08Å; V128-A132 CarbonylContact O-C 3.29Å; V128-A132 VanDerWaalsContact O-C 3.29Å; V128-A132 WeakPolarHBondContact O-CA 3.37Å; V128-A132 WeakPolarHBondContact O-CB 3.19Å; V128-A132 PolarHBondContact O-N 2.96Å
129	V	82.7	Confident	72.2	Confident	101 Å²	101	81.3 Å²	81.3	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-66.1	-39.9	175	172	0	0	0	0	111.3	Q125 Q126 G133	Q125-V129 WeakPolarHBondContact O-CG2 3.4Å; Q125-V129 PolarHBondContact O-N 3.02Å; Q126-V129 PolarHBondContact O-N 3.48Å; V129-G133 WeakPolarHBondContact O-CA 3.08Å; V129-G133 PolarHBondContact O-N 2.74Å
130	E	81	Confident	69.8	Low	151 Å²	151	78.6 Å²	78.6	71%	0.706	44%	0.441	S	S	*	.	H	α-helix	trans	-68.6	-44.3	-178.4	-173.5	178.2	178.9	0	0	113	Q126 L127	Q126-E130 WeakPolarHBondContact O-CB 3.32Å; Q126-E130 PolarHBondContact O-N 3.37Å; L127-E130 PolarHBondContact O-N 2.98Å
131	M	75.2	Confident	67.2	Low	83 Å²	83	83 Å²	83	41%	0.409	47%	0.473	S	S	.	.	H	α-helix	trans	-99.5	-17.8	-176.2	-81.7	-171.5	-74.8	0	0	114.7	L17 A20 L127	L17-M131 HydrophobicContact CD1-CB 4.01Å; L17-M131 HydrophobicContact CD1-CE 3.89Å; A20-M131 HydrophobicContact CB-CE 3.59Å; L127-M131 HydrophobicContact CD1-CE 3.29Å; L127-M131 HydrophobicContact CD2-CE 3.95Å; L127-M131 HydrophobicContact CG-CE 3.37Å; L127-M131 PolarHBondContact O-N 2.91Å
132	A	68.6	Low	64.9	Low	4 Å²	4	83.6 Å²	83.6	3%	0.033	49%	0.485	C	S	.	.	H	α-helix	trans	-128.5	25.2	-173.5	0	0	0	0	0	112.4	L17 V128 D134 L135	L17-A132 HydrophobicContact CD2-CB 3.51Å; V128-A132 HydrophobicContact CG1-CB 4.08Å; V128-A132 CarbonylContact O-C 3.29Å; V128-A132 VanDerWaalsContact O-C 3.29Å; V128-A132 WeakPolarHBondContact O-CA 3.37Å; V128-A132 WeakPolarHBondContact O-CB 3.19Å; V128-A132 PolarHBondContact O-N 2.96Å; A132-D134 PolarHBondContact O-N 3.35Å; A132-L135 HydrophobicContact CB-CB 4.22Å; A132-L135 HydrophobicContact CB-CD1 3.85Å; A132-L135 HydrophobicContact CB-CG 4.47Å; A132-L135 WeakPolarHBondContact O-CB 3.42Å; A132-L135 PolarHBondContact O-N 3.41Å
133	G	60.8	Low	62.3	Low	33 Å²	33	85.7 Å²	85.7	34%	0.34	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-32.3	176.3	0	0	0	0	0	113.9	V129	V129-G133 WeakPolarHBondContact O-CA 3.08Å; V129-G133 PolarHBondContact O-N 2.74Å
134	D	58.8	Low	60.3	Low	156 Å²	156	90.2 Å²	90.2	83%	0.834	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.3	177.2	-64.4	-32.7	0	0	0	114.2	A132	A132-D134 PolarHBondContact O-N 3.35Å
135	L	58.4	Low	58.1	Low	42 Å²	42	97.9 Å²	97.9	22%	0.22	57%	0.567	C	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-19.4	-176.9	-70.8	165.9	0	0	0	113.1	R12 V13 A132	R12-L135 HydrophobicContact CB-CD2 3.42Å; R12-L135 VanDerWaalsContact CB-CD2 3.42Å; R12-L135 HydrophobicContact CG-CD2 4.24Å; V13-L135 HydrophobicContact CG2-CD1 4.02Å; A132-L135 HydrophobicContact CB-CB 4.22Å; A132-L135 HydrophobicContact CB-CD1 3.85Å; A132-L135 HydrophobicContact CB-CG 4.47Å; A132-L135 WeakPolarHBondContact O-CB 3.42Å; A132-L135 PolarHBondContact O-N 3.41Å
136	C	51.6	Low	55.9	Low	77 Å²	77	105.5 Å²	105.5	52%	0.52	59%	0.592	S	S	.	*	S	Bend	trans	-93.1	-2.2	-176	-56.9	0	0	0	0	113.4
137	N	44.2	Very low	53.7	Low	143 Å²	143	108.5 Å²	108.5	77%	0.765	60%	0.602	S	S	*	*	S	Bend	trans	-99.2	16.3	-175.9	-84.8	-4.1	0	0	0	115.1
138	S	39.1	Very low	51.7	Low	89 Å²	89	113.3 Å²	113.3	62%	0.622	64%	0.637	S	S	*	*			trans	-119.9	63.3	177.8	-134.7	0	0	0	0	111.9
139	S	38.7	Very low	49.5	Very low	119 Å²	119	117.3 Å²	117.3	83%	0.832	67%	0.672	S	S	*	*	S	Bend	trans	-156.1	76.9	166.2	-77.4	0	0	0	0	107.8
140	G	34.8	Very low	47.5	Very low	61 Å²	61	118.3 Å²	118.3	63%	0.629	68%	0.684	S	S	*	*			trans	175.6	57.7	-175.3	0	0	0	0	0	112.4	N142	G140-N142 PolarHBondContact O-N 2.79Å
141	T	30.7	Very low	45.5	Very low	143 Å²	143	116.8 Å²	116.8	88%	0.877	69%	0.687	S	S	*	*			trans	-64.3	85.1	154.4	50.7	0	0	0	0	107.5
142	N	36.6	Very low	43.8	Very low	134 Å²	134	118.3 Å²	118.3	72%	0.717	71%	0.706	S	S	*	*			trans	-122.3	98.7	159.2	-77.7	-40.2	0	0	0	106.1	G140 V144	G140-N142 PolarHBondContact O-N 2.79Å; N142-V144 HydrophobicContact CB-CG2 4.32Å; N142-V144 WeakPolarHBondContact O-CG2 3.49Å; N142-V144 PolarHBondContact O-N 2.86Å
143	D	32.8	Very low	42.9	Very low	166 Å²	166	123.8 Å²	123.8	89%	0.888	74%	0.738	S	S	*	*			trans	-35.4	105.2	149.8	-88.1	-79.8	0	0	0	110.2
144	V	46.1	Very low	42	Very low	128 Å²	128	130.8 Å²	130.8	78%	0.776	76%	0.762	S	S	*	*			trans	-153.8	98.3	160.6	-111.2	0	0	0	0	108.7	N142 R146	N142-V144 HydrophobicContact CB-CG2 4.32Å; N142-V144 WeakPolarHBondContact O-CG2 3.49Å; N142-V144 PolarHBondContact O-N 2.86Å; V144-R146 PolarHBondContact O-N 3.14Å; V144-R146 VanDerWaalsContact O-N 3.15Å
145	D	39.5	Very low	41	Very low	162 Å²	162	129.8 Å²	129.8	87%	0.866	76%	0.757	S	S	*	*			trans	-38.2	112.1	150.7	-76.7	-68.7	0	0	0	111.3
146	R	40.4	Very low	40.2	Very low	251 Å²	251	135.1 Å²	135.1	95%	0.947	78%	0.781	S	S	*	*			trans	-165.3	135	138.4	-126.6	167.5	171.7	152.8	-3.8	115.5	V144	V144-R146 PolarHBondContact O-N 3.14Å; V144-R146 VanDerWaalsContact O-N 3.15Å
147	K	38.7	Very low	39.6	Very low	206 Å²	206	137 Å²	137	90%	0.896	79%	0.79	S	S	*	*			trans	-98.2	129.2	-169.3	-166	172.7	-171.5	171.8	0	110
148	S	43.6	Very low	39.4	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	79%	0.79	S	S	*	*			trans	-177.7	136.5	162.1	47.9	0	0	0	0	108.4
149	A	37	Very low	39.5	Very low	96 Å²	96	137.1 Å²	137.1	79%	0.793	80%	0.797	S	S	*	*			cis	-168.2	136	-4	0	0	0	0	0	106.1
150	S	41.9	Very low	39.8	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	79%	0.786	S	S	*	*			trans	-136.4	131.9	161.4	-62.7	0	0	0	0	107.5
151	P	37.5	Very low	40.3	Very low	119 Å²	119	141.5 Å²	141.5	77%	0.773	79%	0.794	S	S	*	*			trans	-95.1	164	-174.9	36.7	-31.9	0	0	0	112.7
152	S	40.6	Very low	40.9	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	80%	0.795	S	S	*	*			trans	80.4	127.5	167.6	-53.5	0	0	0	0	113.6
153	V	49.9	Very low	41.2	Very low	119 Å²	119	145 Å²	145	72%	0.721	80%	0.797	S	S	*	*			cis	-156.5	142	34.3	178.8	0	0	0	0	108.4
154	E	41.6	Very low	41.5	Very low	180 Å²	180	149 Å²	149	84%	0.841	80%	0.799	S	S	*	*			trans	13.4	125.7	150.7	-50.3	170.2	153.6	0	0	119
155	D	38.3	Very low	41	Very low	135 Å²	135	151.6 Å²	151.6	72%	0.722	80%	0.803	S	S	*	*				-173.8	157.7	96.3	-154	11	0	0	0	112.3
156	Q	41.3	Very low	40.9	Very low	154 Å²	154	155.6 Å²	155.6	72%	0.72	81%	0.806	S	S	*	*			trans	-58.3	144.4	-165.3	-57.2	149.5	55.6	0	0	115.5
157	T	37.9	Very low	40.6	Very low	116 Å²	116	148.6 Å²	148.6	71%	0.712	80%	0.795	S	S	*	*				157.9	114.3	105.2	45.2	0	0	0	0	113.6
158	T	40.1	Very low	40.6	Very low	124 Å²	124	149.8 Å²	149.8	76%	0.761	79%	0.794	S	S	*	*			trans	70	117.9	131.5	67.6	0	0	0	0	123.1
159	S	42	Very low	40.2	Very low	111 Å²	111	148.7 Å²	148.7	78%	0.776	79%	0.786	S	S	*	*				73.7	128.2	124.6	-149.9	0	0	0	0	116.6
160	S	44.4	Very low	40.3	Very low	85 Å²	85	151.5 Å²	151.5	59%	0.594	78%	0.783	S	S	*	*			cis	177.3	154.4	26.2	-131.7	0	0	0	0	109.9
161	K	45	Very low	40.2	Very low	186 Å²	186	152.9 Å²	152.9	81%	0.809	78%	0.775	S	S	*	*			trans	81.4	133.9	152.1	-61.3	163.4	-175.6	-178.8	0	118.1
162	R	43.9	Very low	40.1	Very low	235 Å²	235	152.3 Å²	152.3	89%	0.887	77%	0.774	S	S	*	*			cis	-173.4	156.8	-9.7	-120.3	179.5	176.8	-149.3	-0.1	107.2
163	P	41.9	Very low	40.1	Very low	117 Å²	117	151.2 Å²	151.2	76%	0.76	77%	0.772	S	S	*	*			trans	-106.8	171.8	-167.9	39.8	-30.6	0	0	0	113.3
164	R	40.2	Very low	39.5	Very low	248 Å²	248	156.4 Å²	156.4	94%	0.936	78%	0.779	S	S	*	*			trans	-160.4	126.2	147.3	-127.7	171.5	177.6	163.4	-1.9	114.4
165	E	36.3	Very low	39.6	Very low	184 Å²	184	153.3 Å²	153.3	86%	0.86	78%	0.777	S	S	*	*			trans	-63.3	152.7	170.8	-53.4	166.9	128.7	0	0	112.3
166	R	36.6	Very low	39.5	Very low	245 Å²	245	150.7 Å²	150.7	93%	0.925	78%	0.782	S	S	*	*				-167.4	117.6	120.3	-139.5	167.1	179.9	171.9	-1.9	112.6
167	S	32.9	Very low	39.6	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	78%	0.775	S	S	*	*			trans	-65.7	140.2	164.7	-41	0	0	0	0	111.2
168	R	38.9	Very low	40.2	Very low	231 Å²	231	146.6 Å²	146.6	87%	0.872	78%	0.775	S	S	*	*				151.5	137.5	121.2	-85.5	177.2	167.5	141.3	-2	112.9
169	S	36.1	Very low	40.8	Very low	95 Å²	95	148.2 Å²	148.2	66%	0.664	77%	0.774	S	S	*	*			trans	70.7	120.7	138.6	63.4	0	0	0	0	120.3
170	H	38.9	Very low	41.2	Very low	155 Å²	155	147.3 Å²	147.3	72%	0.718	77%	0.768	S	S	*	*				75.5	120.5	123.3	-73	-38.6	0	0	0	120.4
171	H	38.9	Very low	41.4	Very low	152 Å²	152	153 Å²	153	70%	0.704	78%	0.776	S	S	*	*			trans	87.6	112.5	131.9	-57.5	-18	0	0	0	118.6
172	S	37.1	Very low	41.6	Very low	107 Å²	107	151 Å²	151	75%	0.748	77%	0.77	S	S	*	*			trans	46.4	117.4	132.6	74.7	0	0	0	0	119.2
173	A	39.8	Very low	42.1	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	76%	0.756	S	S	*	*				67.2	124.5	124.9	0	0	0	0	0	117.7
174	R	37.5	Very low	42.6	Very low	229 Å²	229	141 Å²	141	86%	0.864	74%	0.742	S	S	*	*				138	138.1	98.7	-156.8	171.6	178.8	-174.8	-1.9	111.3
175	S	42.9	Very low	43.3	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	73%	0.729	S	S	*	*			trans	72.1	133.8	147.8	50.2	0	0	0	0	120.9
176	G	37.4	Very low	44	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	72%	0.723	S	S	*	*			trans	118.4	101.1	172.5	0	0	0	0	0	109.2
177	S	42.2	Very low	44.8	Very low	80 Å²	80	127.1 Å²	127.1	56%	0.559	70%	0.7	S	S	*	*			cis	-153.8	129.8	18.3	162.5	0	0	0	0	107.6	E179	S177-E179 VanDerWaalsContact C-N 3.34Å
178	S	51.2	Low	45.6	Very low	103 Å²	103	131.3 Å²	131.3	72%	0.72	70%	0.7	S	S	*	*	S	Bend	trans	-85	-1.1	-174.9	-175.8	0	0	0	0	113.7
179	E	51.5	Low	46	Very low	159 Å²	159	129.6 Å²	129.6	74%	0.743	69%	0.694	S	S	*	*	S	Bend	trans	-95.5	-35.5	-177.2	-83.2	171.2	102.6	0	0	113.3	S177 R181 Q182	S177-E179 VanDerWaalsContact C-N 3.34Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.2Å; E179-Q182 PolarHBondContact O-N 3.28Å
180	S	51.4	Low	46.6	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	70%	0.695	S	S	*	*	H	α-helix	trans	-71.8	-19.4	-178.8	-73.4	0	0	0	0	114.7
181	R	48.9	Very low	47.1	Very low	205 Å²	205	131.4 Å²	131.4	77%	0.774	69%	0.688	S	S	*	*	H	α-helix	trans	-80.6	-21.1	178.5	-92.3	-179.8	170.7	177.3	-1.9	114	E179	E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.2Å
182	Q	49.1	Very low	47.3	Very low	144 Å²	144	130.5 Å²	130.5	67%	0.673	68%	0.683	S	S	*	*	H	α-helix	trans	-79.1	-34.9	176.4	-74.9	-174.4	-14.5	0	0	111.8	E179 K185 K186	E179-Q182 PolarHBondContact O-N 3.28Å; Q182-K185 PolarHBondContact O-N 2.76Å; Q182-K186 PolarHBondContact O-N 3.35Å; Q182-K186 VanDerWaalsContact O-N 3.09Å
183	S	53.5	Low	47.9	Very low	85 Å²	85	128.7 Å²	128.7	59%	0.594	67%	0.671	S	S	*	*	H	α-helix	trans	-67.4	-40.6	178.7	-47.5	0	0	0	0	112.7	K186 S187	S183-K186 PolarHBondContact O-N 3.03Å; S183-S187 PolarHBondContact O-N 2.81Å
184	A	54.1	Low	48.2	Very low	56 Å²	56	133 Å²	133	46%	0.463	67%	0.668	S	S	.	*	H	α-helix	trans	-71.2	-28.8	177.1	0	0	0	0	0	113.5	R188	A184-R188 PolarHBondContact O-N 3.03Å
185	K	53.2	Low	48.4	Very low	153 Å²	153	127.9 Å²	127.9	67%	0.665	66%	0.657	S	S	*	*	H	α-helix	trans	-74.6	-28.5	171.7	-78.9	-177.4	174.1	-178.7	0	112.4	Q182 R189	Q182-K185 PolarHBondContact O-N 2.76Å; K185-R189 WeakPolarHBondContact O-CG 3.49Å; K185-R189 PolarHBondContact O-N 3.48Å
186	K	51.6	Low	48.2	Very low	169 Å²	169	125.9 Å²	125.9	74%	0.735	64%	0.643	S	S	*	*	H	α-helix	trans	-76.8	-31.5	177.5	-161.1	171.3	-175.8	176.9	0	112.7	Q182 S183 R190	Q182-K186 PolarHBondContact O-N 3.35Å; Q182-K186 VanDerWaalsContact O-N 3.09Å; S183-K186 PolarHBondContact O-N 3.03Å; K186-R190 PolarHBondContact O-N 3.4Å
187	S	52.9	Low	48.7	Very low	65 Å²	65	124.4 Å²	124.4	46%	0.455	62%	0.62	S	S	.	*	H	α-helix	trans	-75	-42.6	174.3	96.6	0	0	0	0	112.3	S183 R189 R190 D191	S183-S187 PolarHBondContact O-N 2.81Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 2.63Å; S187-R190 WeakPolarHBondContact O-CA 3.13Å; S187-R190 WeakPolarHBondContact O-CB 3.41Å; S187-R190 PolarHBondContact O-N 3.49Å; S187-D191 PolarHBondContact O-N 3.21Å; S187-D191 VanDerWaalsContact O-N 3.09Å
188	R	49.3	Very low	48.6	Very low	191 Å²	191	125.6 Å²	125.6	72%	0.721	62%	0.62	S	S	*	*	H	α-helix	trans	-60.3	-39.6	175.9	-77.3	-176.3	175.7	170.7	-1.3	113.1	A184 R190 D191 E192	A184-R188 PolarHBondContact O-N 3.03Å; R188-R190 PolarHBondContact O-N 2.91Å; R188-D191 PolarHBondContact O-N 3.34Å; R188-E192 WeakPolarHBondContact O-CB 2.92Å; R188-E192 PolarHBondContact O-N 3.21Å
189	R	48.4	Very low	48.1	Very low	195 Å²	195	126.5 Å²	126.5	74%	0.736	62%	0.616	S	S	*	*	H	α-helix	trans	-64.3	-28.2	172.9	-77.9	-174.7	172.9	-165.6	-1.9	113.3	K185 S187 S193	K185-R189 WeakPolarHBondContact O-CG 3.49Å; K185-R189 PolarHBondContact O-N 3.48Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 2.63Å; R189-S193 WeakPolarHBondContact O-CB 3.3Å; R189-S193 PolarHBondContact O-N 2.81Å; R189-S193 PolarHBondContact O-OG 3.18Å
190	R	48.6	Very low	47.5	Very low	184 Å²	184	127.8 Å²	127.8	69%	0.694	61%	0.614	S	S	*	*	H	α-helix	trans	-77.6	-36.9	179.3	-151.2	175.4	-156.1	-178.9	4.4	111.5	K186 S187 R188 S193 R194	K186-R190 PolarHBondContact O-N 3.4Å; S187-R190 WeakPolarHBondContact O-CA 3.13Å; S187-R190 WeakPolarHBondContact O-CB 3.41Å; S187-R190 PolarHBondContact O-N 3.49Å; R188-R190 PolarHBondContact O-N 2.91Å; R190-S193 WeakPolarHBondContact CA-OG 3.41Å; R190-S193 PolarHBondContact O-OG 3.23Å; R190-R194 PolarHBondContact O-N 3.14Å
191	D	49.3	Very low	47	Very low	105 Å²	105	131.6 Å²	131.6	56%	0.561	62%	0.615	S	S	*	*	H	α-helix	trans	-76.8	-40	176.1	-72.1	-35.1	0	0	0	112.6	S187 R188 S193 R194 D195	S187-D191 PolarHBondContact O-N 3.21Å; S187-D191 VanDerWaalsContact O-N 3.09Å; R188-D191 PolarHBondContact O-N 3.34Å; D191-S193 VanDerWaalsContact C-N 3.26Å; D191-S193 PolarHBondContact O-N 2.97Å; D191-R194 PolarHBondContact O-N 3.03Å; D191-R194 VanDerWaalsContact O-N 3.14Å; D191-D195 PolarHBondContact O-N 3.22Å
192	E	43.7	Very low	46.4	Very low	132 Å²	132	127.2 Å²	127.2	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-60.9	-34.7	170.2	-86.1	175	129.1	0	0	112.2	R188 R194 S196	R188-E192 WeakPolarHBondContact O-CB 2.92Å; R188-E192 PolarHBondContact O-N 3.21Å; E192-R194 VanDerWaalsContact C-N 3.35Å; E192-S196 VanDerWaalsContact O-CB 3.28Å; E192-S196 WeakPolarHBondContact O-CB 3.45Å; E192-S196 PolarHBondContact O-N 2.79Å; E192-S196 PolarHBondContact O-OG 3.3Å
193	S	49.6	Very low	45.8	Very low	70 Å²	70	124.1 Å²	124.1	49%	0.49	60%	0.6	S	S	.	*	H	α-helix	trans	-74.6	-22.4	177.7	65.8	0	0	0	0	114.1	R189 R190 D191 S197	R189-S193 WeakPolarHBondContact O-CB 3.3Å; R189-S193 PolarHBondContact O-N 2.81Å; R189-S193 PolarHBondContact O-OG 3.18Å; R190-S193 WeakPolarHBondContact CA-OG 3.41Å; R190-S193 PolarHBondContact O-OG 3.23Å; D191-S193 VanDerWaalsContact C-N 3.26Å; D191-S193 PolarHBondContact O-N 2.97Å; S193-S197 WeakPolarHBondContact O-CB 3.43Å
194	R	46.6	Very low	45.3	Very low	183 Å²	183	125.5 Å²	125.5	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-83	-39.5	174.1	-94.7	-180	167.7	169.3	-6.1	111.5	R190 D191 E192 S197 L198	R190-R194 PolarHBondContact O-N 3.14Å; D191-R194 PolarHBondContact O-N 3.03Å; D191-R194 VanDerWaalsContact O-N 3.14Å; E192-R194 VanDerWaalsContact C-N 3.35Å; R194-S197 PolarHBondContact O-N 3.41Å; R194-L198 PolarHBondContact O-N 3.23Å
195	D	41.3	Very low	44.3	Very low	121 Å²	121	129.6 Å²	129.6	65%	0.647	61%	0.607	S	S	*	*	H	α-helix	trans	-70.7	-42.1	179.4	-154.4	21.4	0	0	0	111.7	D191 S197 L198 D199	D191-D195 PolarHBondContact O-N 3.22Å; D195-S197 PolarHBondContact O-N 3.29Å; D195-L198 PolarHBondContact O-N 3.18Å; D195-D199 PolarHBondContact O-N 2.71Å
196	S	38.9	Very low	43.4	Very low	71 Å²	71	129.3 Å²	129.3	50%	0.497	61%	0.606	S	S	.	*	H	α-helix	trans	-65.3	-18.2	171.1	-72.4	0	0	0	0	114.2	E192 R200	E192-S196 VanDerWaalsContact O-CB 3.28Å; E192-S196 WeakPolarHBondContact O-CB 3.45Å; E192-S196 PolarHBondContact O-N 2.79Å; E192-S196 PolarHBondContact O-OG 3.3Å; S196-R200 WeakPolarHBondContact O-CB 3.33Å; S196-R200 WeakPolarHBondContact O-CG 3.27Å; S196-R200 PolarHBondContact O-N 3.04Å
197	S	47.2	Very low	43	Very low	50 Å²	50	128.8 Å²	128.8	35%	0.35	60%	0.604	S	S	.	*	H	α-helix	trans	-85.4	-23.9	179.2	-175.2	0	0	0	0	113.1	S193 R194 D195 R201	S193-S197 WeakPolarHBondContact O-CB 3.43Å; R194-S197 PolarHBondContact O-N 3.41Å; D195-S197 PolarHBondContact O-N 3.29Å; S197-R201 PolarHBondContact O-N 3.41Å
198	L	41.3	Very low	42.6	Very low	106 Å²	106	131.8 Å²	131.8	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-80.1	-42.7	172.9	-65.6	177.7	0	0	0	109.8	R194 D195 R200 R201 D202	R194-L198 PolarHBondContact O-N 3.23Å; D195-L198 PolarHBondContact O-N 3.18Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 3.24Å; L198-R201 PolarHBondContact O-N 3.48Å; L198-D202 PolarHBondContact O-N 3.19Å
199	D	40.6	Very low	42.1	Very low	121 Å²	121	130.8 Å²	130.8	65%	0.647	61%	0.605	S	S	*	*	H	α-helix	trans	-64.7	-33.4	177.1	-159.1	30	0	0	0	112.8	D195 C203	D195-D199 PolarHBondContact O-N 2.71Å; D199-C203 WeakPolarHBondContact O-CB 3.21Å; D199-C203 PolarHBondContact O-N 3.39Å
200	R	38.5	Very low	41.7	Very low	186 Å²	186	126 Å²	126	70%	0.702	59%	0.594	S	S	*	*	H	α-helix	trans	-68.9	-37.9	170	-82.2	-177.5	-174.6	-172.4	1.9	113.5	S196 L198 I204	S196-R200 WeakPolarHBondContact O-CB 3.33Å; S196-R200 WeakPolarHBondContact O-CG 3.27Å; S196-R200 PolarHBondContact O-N 3.04Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 3.24Å; R200-I204 WeakPolarHBondContact O-CB 3.48Å; R200-I204 VanDerWaalsContact O-CD1 3.24Å; R200-I204 WeakPolarHBondContact O-CD1 3.45Å; R200-I204 WeakPolarHBondContact O-CG1 3.39Å; R200-I204 PolarHBondContact O-N 2.97Å
201	R	39.9	Very low	41.6	Very low	172 Å²	172	120 Å²	120	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-71.1	-41.1	-179.9	-89.2	-174.9	177.7	128.8	-1.4	111.3	S197 L198 I204 F205	S197-R201 PolarHBondContact O-N 3.41Å; L198-R201 PolarHBondContact O-N 3.48Å; R201-I204 PolarHBondContact O-N 2.95Å; R201-F205 PolarHBondContact O-N 3.38Å
202	D	37	Very low	41.7	Very low	112 Å²	112	119.2 Å²	119.2	60%	0.599	57%	0.573	S	S	*	*	H	α-helix	trans	-72.8	-36.7	178.7	-71.4	-15.8	0	0	0	111.7	L198 I204 F205 F206	L198-D202 PolarHBondContact O-N 3.19Å; D202-I204 PolarHBondContact O-N 3.5Å; D202-F205 PolarHBondContact O-N 3.03Å; D202-F206 WeakPolarHBondContact O-CB 3.38Å; D202-F206 PolarHBondContact O-N 2.97Å
203	C	36.3	Very low	42	Very low	79 Å²	79	115.6 Å²	115.6	53%	0.534	57%	0.565	S	S	.	*	H	α-helix	trans	-65.1	-37.1	171.4	-166.9	0	0	0	0	112.3	D199 K207	D199-C203 WeakPolarHBondContact O-CB 3.21Å; D199-C203 PolarHBondContact O-N 3.39Å; C203-K207 WeakPolarHBondContact O-CB 3.49Å; C203-K207 PolarHBondContact O-N 2.91Å
204	I	42.2	Very low	42.2	Very low	115 Å²	115	117.6 Å²	117.6	59%	0.59	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-40.7	173.5	-70.4	164.1	0	0	0	110.9	R200 R201 D202 K208	R200-I204 WeakPolarHBondContact O-CB 3.48Å; R200-I204 VanDerWaalsContact O-CD1 3.24Å; R200-I204 WeakPolarHBondContact O-CD1 3.45Å; R200-I204 WeakPolarHBondContact O-CG1 3.39Å; R200-I204 PolarHBondContact O-N 2.97Å; R201-I204 PolarHBondContact O-N 2.95Å; D202-I204 PolarHBondContact O-N 3.5Å; I204-K208 WeakPolarHBondContact O-CB 3.28Å; I204-K208 PolarHBondContact O-N 2.98Å
205	F	34.2	Very low	42.8	Very low	141 Å²	141	115 Å²	115	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-68.5	-43.7	179.9	-158.7	-89.8	0	0	0	111.9	R201 D202 K208 R209	R201-F205 PolarHBondContact O-N 3.38Å; D202-F205 PolarHBondContact O-N 3.03Å; F205-K208 PolarHBondContact O-N 3.14Å; F205-R209 WeakPolarHBondContact O-CB 3.39Å; F205-R209 PolarHBondContact O-N 3.34Å
206	F	34.9	Very low	43.8	Very low	147 Å²	147	114.4 Å²	114.4	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-68.4	-41.7	177.6	-132.9	-92.6	0	0	0	111.8	D202 K208 R209 L210	D202-F206 WeakPolarHBondContact O-CB 3.38Å; D202-F206 PolarHBondContact O-N 2.97Å; F206-K208 VanDerWaalsContact C-N 3.34Å; F206-K208 PolarHBondContact O-N 2.98Å; F206-R209 PolarHBondContact O-N 2.81Å; F206-L210 HydrophobicContact CD1-CD1 3.61Å; F206-L210 HydrophobicContact CE1-CD1 4.04Å; F206-L210 WeakPolarHBondContact O-CD1 3.36Å; F206-L210 PolarHBondContact O-N 3.08Å
207	K	42.2	Very low	45.2	Very low	158 Å²	158	114.8 Å²	114.8	69%	0.687	56%	0.56	S	S	*	*	H	α-helix	trans	-65.7	-36.4	175.6	-170.2	167.1	-176.2	163.8	0	112.3	C203 S211	C203-K207 WeakPolarHBondContact O-CB 3.49Å; C203-K207 PolarHBondContact O-N 2.91Å; K207-S211 WeakPolarHBondContact O-CB 3.06Å; K207-S211 PolarHBondContact O-N 3.39Å
208	K	43.9	Very low	46.4	Very low	128 Å²	128	114.1 Å²	114.1	56%	0.557	56%	0.557	S	S	*	*	H	α-helix	trans	-67.2	-42.1	173.7	-172.4	167.7	-179.7	174.3	0	111.4	I204 F205 F206 S211 E212	I204-K208 WeakPolarHBondContact O-CB 3.28Å; I204-K208 PolarHBondContact O-N 2.98Å; F205-K208 PolarHBondContact O-N 3.14Å; F206-K208 VanDerWaalsContact C-N 3.34Å; F206-K208 PolarHBondContact O-N 2.98Å; K208-S211 WeakPolarHBondContact O-CB 3.39Å; K208-S211 PolarHBondContact O-N 3.4Å; K208-E212 WeakPolarHBondContact CE-OE1 3.34Å; K208-E212 HydrophobicContact CG-CG 4.44Å; K208-E212 WeakPolarHBondContact CG-OE1 3.28Å; K208-E212 WeakPolarHBondContact O-CB 3.48Å; K208-E212 VanDerWaalsContact O-CG 3.28Å; K208-E212 WeakPolarHBondContact O-CG 3.43Å; K208-E212 PolarHBondContact O-N 3.37Å
209	R	40.6	Very low	47.9	Very low	170 Å²	170	115.5 Å²	115.5	64%	0.642	56%	0.556	S	S	*	*	H	α-helix	trans	-67.3	-36.4	176.8	-164	169	-158	165.7	5.5	113.5	F205 F206 A213	F205-R209 WeakPolarHBondContact O-CB 3.39Å; F205-R209 PolarHBondContact O-N 3.34Å; F206-R209 PolarHBondContact O-N 2.81Å; R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.44Å
210	L	39.3	Very low	49.5	Very low	96 Å²	96	116 Å²	116	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-67.2	-42.3	171.4	-95.6	130.9	0	0	0	111.8	F206 A213 D214	F206-L210 HydrophobicContact CD1-CD1 3.61Å; F206-L210 HydrophobicContact CE1-CD1 4.04Å; F206-L210 WeakPolarHBondContact O-CD1 3.36Å; F206-L210 PolarHBondContact O-N 3.08Å; L210-A213 PolarHBondContact O-N 3.4Å; L210-D214 PolarHBondContact O-N 2.86Å
211	S	46.5	Very low	51.1	Low	56 Å²	56	115.4 Å²	115.4	39%	0.392	55%	0.552	S	S	.	*	H	α-helix	trans	-62.6	-41.3	174.2	-173.5	0	0	0	0	112.3	K207 K208 D214 E215	K207-S211 WeakPolarHBondContact O-CB 3.06Å; K207-S211 PolarHBondContact O-N 3.39Å; K208-S211 WeakPolarHBondContact O-CB 3.39Å; K208-S211 PolarHBondContact O-N 3.4Å; S211-D214 PolarHBondContact O-N 3.27Å; S211-E215 WeakPolarHBondContact O-CB 3.2Å; S211-E215 WeakPolarHBondContact O-CG 3.41Å; S211-E215 PolarHBondContact O-N 2.9Å
212	E	50.5	Low	52.8	Low	90 Å²	90	115.5 Å²	115.5	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-66.8	-40.2	176.4	-75	169.5	-177	0	0	111	K208 E215 D216	K208-E212 WeakPolarHBondContact CE-OE1 3.34Å; K208-E212 HydrophobicContact CG-CG 4.44Å; K208-E212 WeakPolarHBondContact CG-OE1 3.28Å; K208-E212 WeakPolarHBondContact O-CB 3.48Å; K208-E212 VanDerWaalsContact O-CG 3.28Å; K208-E212 WeakPolarHBondContact O-CG 3.43Å; K208-E212 PolarHBondContact O-N 3.37Å; E212-E215 PolarHBondContact O-N 2.95Å; E212-D216 PolarHBondContact O-N 3.16Å
213	A	51.6	Low	55	Low	55 Å²	55	116.5 Å²	116.5	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-64.1	-41.5	174.1	0	0	0	0	0	112.3	R209 L210 E215 D216 D217	R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.44Å; L210-A213 PolarHBondContact O-N 3.4Å; A213-E215 VanDerWaalsContact C-N 3.33Å; A213-E215 PolarHBondContact O-N 2.92Å; A213-D216 PolarHBondContact O-N 3Å; A213-D217 WeakPolarHBondContact O-CB 3.46Å; A213-D217 PolarHBondContact O-N 3.36Å
214	D	52.7	Low	56.8	Low	112 Å²	112	116 Å²	116	60%	0.599	54%	0.542	S	S	*	.	H	α-helix	trans	-65.6	-35.4	175.3	-75.1	-26.3	0	0	0	112.1	L210 S211 A218	L210-D214 PolarHBondContact O-N 2.86Å; S211-D214 PolarHBondContact O-N 3.27Å; D214-A218 VanDerWaalsContact O-CB 3.27Å; D214-A218 WeakPolarHBondContact O-CB 3.49Å; D214-A218 PolarHBondContact O-N 2.95Å
215	E	58.6	Low	58.6	Low	128 Å²	128	116 Å²	116	60%	0.598	54%	0.539	S	S	*	.	H	α-helix	trans	-69	-43.1	175.1	-78.2	177.7	-159.7	0	0	112.4	S211 E212 A213 A218 Y219	S211-E215 WeakPolarHBondContact O-CB 3.2Å; S211-E215 WeakPolarHBondContact O-CG 3.41Å; S211-E215 PolarHBondContact O-N 2.9Å; E212-E215 PolarHBondContact O-N 2.95Å; A213-E215 VanDerWaalsContact C-N 3.33Å; A213-E215 PolarHBondContact O-N 2.92Å; E215-A218 PolarHBondContact O-N 3.02Å; E215-Y219 WeakPolarHBondContact O-CB 3.47Å; E215-Y219 PolarHBondContact O-N 3.42Å
216	D	63.4	Low	60.7	Low	110 Å²	110	115.7 Å²	115.7	59%	0.588	53%	0.534	S	S	*	.	H	α-helix	trans	-64.1	-42.7	176.5	-78.3	-21.4	0	0	0	111.3	E212 A213 A218 Y219 E220	E212-D216 PolarHBondContact O-N 3.16Å; A213-D216 PolarHBondContact O-N 3Å; D216-A218 PolarHBondContact O-N 3.35Å; D216-Y219 WeakPolarHBondContact O-CB 3.34Å; D216-Y219 PolarHBondContact O-N 2.81Å; D216-E220 WeakPolarHBondContact O-CG 3.47Å; D216-E220 PolarHBondContact O-N 3.37Å
217	D	68.7	Low	63	Low	79 Å²	79	115.1 Å²	115.1	42%	0.422	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-40.2	177.1	-128.9	44.9	0	0	0	111.4	A213 Y219 E220 R221	A213-D217 WeakPolarHBondContact O-CB 3.46Å; A213-D217 PolarHBondContact O-N 3.36Å; D217-Y219 VanDerWaalsContact C-N 3.34Å; D217-E220 PolarHBondContact O-N 3.29Å; D217-R221 WeakPolarHBondContact O-CB 3.49Å; D217-R221 VanDerWaalsContact O-CG 3.26Å; D217-R221 WeakPolarHBondContact O-CG 3.34Å; D217-R221 PolarHBondContact O-N 3.42Å; D217-R221 IonicContact OD2-CZ 3.25Å; D217-R221 IonicContact OD2-NE 2.74Å; D217-R221 IonicContact OD2-NH2 3.14Å; D217-R221 PolarHBondContact OD2-NH2 3.05Å
218	A	72.1	Confident	64.8	Low	36 Å²	36	111 Å²	111	30%	0.298	51%	0.512	S	S	.	.	H	α-helix	trans	-66.9	-34.4	174.2	0	0	0	0	0	112.3	D214 E215 D216 R222	D214-A218 VanDerWaalsContact O-CB 3.27Å; D214-A218 WeakPolarHBondContact O-CB 3.49Å; D214-A218 PolarHBondContact O-N 2.95Å; E215-A218 PolarHBondContact O-N 3.02Å; D216-A218 PolarHBondContact O-N 3.35Å; A218-R222 WeakPolarHBondContact O-CB 3.4Å; A218-R222 PolarHBondContact O-N 2.82Å; A218-R222 VanDerWaalsContact O-N 3.12Å
219	Y	71.9	Confident	66.6	Low	135 Å²	135	113.5 Å²	113.5	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-68.6	-45.4	174.3	-179.1	-92.2	0	0	0	111.4	E215 D216 D217 R222 R223	E215-Y219 WeakPolarHBondContact O-CB 3.47Å; E215-Y219 PolarHBondContact O-N 3.42Å; D216-Y219 WeakPolarHBondContact O-CB 3.34Å; D216-Y219 PolarHBondContact O-N 2.81Å; D217-Y219 VanDerWaalsContact C-N 3.34Å; Y219-R222 PolarHBondContact O-N 3.29Å; Y219-R223 WeakPolarHBondContact O-CB 2.99Å; Y219-R223 PolarHBondContact O-N 3.48Å
220	E	73.6	Confident	68.7	Low	131 Å²	131	110.8 Å²	110.8	61%	0.612	51%	0.513	S	S	*	.	H	α-helix	trans	-62.9	-44.5	176.7	-72.2	-146.9	162.7	0	0	112.1	D216 D217 R222 R223 V224	D216-E220 WeakPolarHBondContact O-CG 3.47Å; D216-E220 PolarHBondContact O-N 3.37Å; D217-E220 PolarHBondContact O-N 3.29Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 2.93Å; E220-R223 WeakPolarHBondContact O-CB 3.04Å; E220-R223 PolarHBondContact O-N 2.86Å; E220-R223 VanDerWaalsContact O-N 3.12Å; E220-V224 WeakPolarHBondContact O-CG2 3.06Å; E220-V224 PolarHBondContact O-N 3.46Å
221	R	73.1	Confident	70.8	Confident	174 Å²	174	113.4 Å²	113.4	66%	0.657	52%	0.52	S	S	*	.	H	α-helix	trans	-57.7	-46.3	174.5	-72.8	175.6	-160.3	-175.7	9.8	111.2	D217 R223 V224 E225	D217-R221 WeakPolarHBondContact O-CB 3.49Å; D217-R221 VanDerWaalsContact O-CG 3.26Å; D217-R221 WeakPolarHBondContact O-CG 3.34Å; D217-R221 PolarHBondContact O-N 3.42Å; D217-R221 IonicContact OD2-CZ 3.25Å; D217-R221 IonicContact OD2-NE 2.74Å; D217-R221 IonicContact OD2-NH2 3.14Å; D217-R221 PolarHBondContact OD2-NH2 3.05Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.02Å; R221-V224 PolarHBondContact O-N 3.01Å; R221-E225 VanDerWaalsContact O-CB 3.3Å; R221-E225 WeakPolarHBondContact O-CB 3.26Å; R221-E225 PolarHBondContact O-N 2.86Å
222	R	75.8	Confident	72.6	Confident	174 Å²	174	115.8 Å²	115.8	66%	0.657	53%	0.525	S	S	*	.	H	α-helix	trans	-62.6	-36.6	175.8	-109.9	176.8	-87.3	-167.9	-7.4	112.6	A218 Y219 E220 R226	A218-R222 WeakPolarHBondContact O-CB 3.4Å; A218-R222 PolarHBondContact O-N 2.82Å; A218-R222 VanDerWaalsContact O-N 3.12Å; Y219-R222 PolarHBondContact O-N 3.29Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 2.93Å; R222-R226 VanDerWaalsContact O-CB 3.3Å; R222-R226 WeakPolarHBondContact O-CB 3.39Å; R222-R226 PolarHBondContact O-N 3.23Å
223	R	81.9	Confident	74.4	Confident	133 Å²	133	114 Å²	114	50%	0.502	53%	0.526	S	S	.	.	H	α-helix	trans	-70.1	-39.5	178.4	-172.8	-177.6	178	117.2	-1.2	112.1	Y219 E220 R221 R227	Y219-R223 WeakPolarHBondContact O-CB 2.99Å; Y219-R223 PolarHBondContact O-N 3.48Å; E220-R223 WeakPolarHBondContact O-CB 3.04Å; E220-R223 PolarHBondContact O-N 2.86Å; E220-R223 VanDerWaalsContact O-N 3.12Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.02Å; R223-R227 PolarHBondContact O-N 3.45Å
224	V	76	Confident	76.1	Confident	67 Å²	67	112.9 Å²	112.9	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-68.1	-47.5	175.3	173.4	0	0	0	0	110.3	E220 R221 R226 R227 I228	E220-V224 WeakPolarHBondContact O-CG2 3.06Å; E220-V224 PolarHBondContact O-N 3.46Å; R221-V224 PolarHBondContact O-N 3.01Å; V224-R226 VanDerWaalsContact C-N 3.3Å; V224-R226 PolarHBondContact O-N 3.48Å; V224-R227 WeakPolarHBondContact O-CB 3.14Å; V224-R227 PolarHBondContact O-N 3.03Å; V224-R227 VanDerWaalsContact O-N 3.08Å; V224-I228 HydrophobicContact CG1-CD1 3.93Å; V224-I228 HydrophobicContact CG1-CG1 4.48Å; V224-I228 WeakPolarHBondContact O-CG1 3.44Å; V224-I228 PolarHBondContact O-N 3.36Å
225	E	79.6	Confident	77.8	Confident	115 Å²	115	113.9 Å²	113.9	54%	0.537	52%	0.516	S	S	.	.	H	α-helix	trans	-57.9	-43.3	177.7	-168.8	60.2	-144.8	0	0	111.4	R221 R227 I228 R229	R221-E225 VanDerWaalsContact O-CB 3.3Å; R221-E225 WeakPolarHBondContact O-CB 3.26Å; R221-E225 PolarHBondContact O-N 2.86Å; E225-R227 PolarHBondContact O-N 3.49Å; E225-I228 PolarHBondContact O-N 3.02Å; E225-R229 WeakPolarHBondContact O-CB 3.25Å; E225-R229 PolarHBondContact O-N 3.28Å
226	R	78.6	Confident	79	Confident	136 Å²	136	116.3 Å²	116.3	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-43.3	175.3	-167.6	-176.7	-60.4	139.1	3	112	R222 V224 I228 R229 E230	R222-R226 VanDerWaalsContact O-CB 3.3Å; R222-R226 WeakPolarHBondContact O-CB 3.39Å; R222-R226 PolarHBondContact O-N 3.23Å; V224-R226 VanDerWaalsContact C-N 3.3Å; V224-R226 PolarHBondContact O-N 3.48Å; R226-I228 PolarHBondContact O-N 3.34Å; R226-R229 PolarHBondContact O-N 2.83Å; R226-E230 HydrophobicContact CG-CG 4.41Å; R226-E230 WeakPolarHBondContact CG-OE1 3.49Å; R226-E230 WeakPolarHBondContact O-CB 3.39Å; R226-E230 VanDerWaalsContact O-CG 3.27Å; R226-E230 WeakPolarHBondContact O-CG 3.41Å; R226-E230 PolarHBondContact O-N 3.05Å
227	R	81.4	Confident	80.1	Confident	134 Å²	134	116 Å²	116	51%	0.506	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-37.4	176.4	-88.1	-169.1	-69.7	174.9	-3.3	112.8	R223 V224 E225 K231	R223-R227 PolarHBondContact O-N 3.45Å; V224-R227 WeakPolarHBondContact O-CB 3.14Å; V224-R227 PolarHBondContact O-N 3.03Å; V224-R227 VanDerWaalsContact O-N 3.08Å; E225-R227 PolarHBondContact O-N 3.49Å; R227-K231 WeakPolarHBondContact O-CB 3.39Å; R227-K231 VanDerWaalsContact O-CG 3.26Å; R227-K231 WeakPolarHBondContact O-CG 3.22Å; R227-K231 PolarHBondContact O-N 3.39Å
228	I	81.4	Confident	80.9	Confident	72 Å²	72	120.7 Å²	120.7	37%	0.369	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-50.7	175.9	-67.3	170.3	0	0	0	108.9	V224 E225 R226 E230 K231 E232	V224-I228 HydrophobicContact CG1-CD1 3.93Å; V224-I228 HydrophobicContact CG1-CG1 4.48Å; V224-I228 WeakPolarHBondContact O-CG1 3.44Å; V224-I228 PolarHBondContact O-N 3.36Å; E225-I228 PolarHBondContact O-N 3.02Å; R226-I228 PolarHBondContact O-N 3.34Å; I228-E230 PolarHBondContact O-N 3.29Å; I228-K231 PolarHBondContact O-N 2.73Å; I228-K231 VanDerWaalsContact O-N 3.15Å; I228-E232 HydrophobicContact CG2-CG 4.37Å; I228-E232 WeakPolarHBondContact O-CB 3.44Å; I228-E232 WeakPolarHBondContact O-CG 3.43Å; I228-E232 PolarHBondContact O-N 3.41Å
229	R	82.1	Confident	81.6	Confident	181 Å²	181	122.9 Å²	122.9	68%	0.683	53%	0.533	S	S	*	.	H	α-helix	trans	-59.7	-41.8	178.5	-166.8	-177.5	-174.6	90.1	-1.2	113.1	E225 R226 E232 A233	E225-R229 WeakPolarHBondContact O-CB 3.25Å; E225-R229 PolarHBondContact O-N 3.28Å; R226-R229 PolarHBondContact O-N 2.83Å; R229-E232 PolarHBondContact O-N 3.47Å; R229-A233 WeakPolarHBondContact O-CB 3.43Å; R229-A233 PolarHBondContact O-N 3.09Å
230	E	83.9	Confident	82.5	Confident	112 Å²	112	118.6 Å²	118.6	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-42	175.7	-77.5	170.7	-174.9	0	0	111.8	R226 I228 A233 A234	R226-E230 HydrophobicContact CG-CG 4.41Å; R226-E230 WeakPolarHBondContact CG-OE1 3.49Å; R226-E230 WeakPolarHBondContact O-CB 3.39Å; R226-E230 VanDerWaalsContact O-CG 3.27Å; R226-E230 WeakPolarHBondContact O-CG 3.41Å; R226-E230 PolarHBondContact O-N 3.05Å; I228-E230 PolarHBondContact O-N 3.29Å; E230-A233 PolarHBondContact O-N 3.16Å; E230-A234 WeakPolarHBondContact O-CB 3.36Å; E230-A234 PolarHBondContact O-N 3.4Å
231	K	82.8	Confident	83.1	Confident	152 Å²	152	117.8 Å²	117.8	66%	0.661	52%	0.519	S	S	*	.	H	α-helix	trans	-65.1	-42.3	175.3	-76.7	177.7	177.7	-177.2	0	111.8	R227 I228 F235	R227-K231 WeakPolarHBondContact O-CB 3.39Å; R227-K231 VanDerWaalsContact O-CG 3.26Å; R227-K231 WeakPolarHBondContact O-CG 3.22Å; R227-K231 PolarHBondContact O-N 3.39Å; I228-K231 PolarHBondContact O-N 2.73Å; I228-K231 VanDerWaalsContact O-N 3.15Å; K231-F235 WeakPolarHBondContact O-CB 3.49Å; K231-F235 PolarHBondContact O-N 2.92Å
232	E	85.1	Confident	83.8	Confident	105 Å²	105	117 Å²	117	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-65.8	-43.1	175.8	-73.3	-177.8	175.4	0	0	111.9	I228 R229 F235 R236	I228-E232 HydrophobicContact CG2-CG 4.37Å; I228-E232 WeakPolarHBondContact O-CB 3.44Å; I228-E232 WeakPolarHBondContact O-CG 3.43Å; I228-E232 PolarHBondContact O-N 3.41Å; R229-E232 PolarHBondContact O-N 3.47Å; E232-F235 PolarHBondContact O-N 3.3Å; E232-R236 WeakPolarHBondContact O-CG 3.45Å; E232-R236 PolarHBondContact O-N 2.95Å
233	A	87	Confident	84.4	Confident	53 Å²	53	112.9 Å²	112.9	44%	0.438	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176	0	0	0	0	0	111.4	R229 E230 F235 R236 E237	R229-A233 WeakPolarHBondContact O-CB 3.43Å; R229-A233 PolarHBondContact O-N 3.09Å; E230-A233 PolarHBondContact O-N 3.16Å; A233-F235 VanDerWaalsContact C-N 3.29Å; A233-F235 PolarHBondContact O-N 3.09Å; A233-R236 PolarHBondContact O-N 3.17Å; A233-E237 WeakPolarHBondContact O-CB 3.35Å; A233-E237 PolarHBondContact O-N 2.95Å
234	A	89.1	Confident	84.7	Confident	32 Å²	32	111.6 Å²	111.6	26%	0.264	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-35.2	175.8	0	0	0	0	0	112.1	E230 R238	E230-A234 WeakPolarHBondContact O-CB 3.36Å; E230-A234 PolarHBondContact O-N 3.4Å; A234-R238 WeakPolarHBondContact O-CB 3.38Å; A234-R238 VanDerWaalsContact O-CG 3.28Å; A234-R238 WeakPolarHBondContact O-CG 3.41Å; A234-R238 PolarHBondContact O-N 3.31Å
235	F	87	Confident	85.1	Confident	132 Å²	132	116.7 Å²	116.7	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-67.3	-48.4	173.9	-175.7	-98.2	0	0	0	111.5	K231 E232 A233 E237 R238 L239	K231-F235 WeakPolarHBondContact O-CB 3.49Å; K231-F235 PolarHBondContact O-N 2.92Å; E232-F235 PolarHBondContact O-N 3.3Å; A233-F235 VanDerWaalsContact C-N 3.29Å; A233-F235 PolarHBondContact O-N 3.09Å; F235-E237 PolarHBondContact O-N 3.38Å; F235-R238 PolarHBondContact O-N 3.36Å; F235-L239 PolarHBondContact O-N 3.34Å
236	R	84.5	Confident	85.3	Confident	180 Å²	180	114.4 Å²	114.4	68%	0.679	51%	0.509	S	S	*	.	H	α-helix	trans	-60.6	-43.4	176.3	-73.9	-178.4	-176.2	-174.1	3.2	112.3	E232 A233 R238 L239 A240	E232-R236 WeakPolarHBondContact O-CG 3.45Å; E232-R236 PolarHBondContact O-N 2.95Å; A233-R236 PolarHBondContact O-N 3.17Å; R236-R238 PolarHBondContact O-N 3.47Å; R236-L239 PolarHBondContact O-N 3.36Å; R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 3.25Å
237	E	86	Confident	85.7	Confident	103 Å²	103	113.7 Å²	113.7	48%	0.481	51%	0.512	S	S	.	.	H	α-helix	trans	-65.5	-38.9	178.7	-166.7	-167.8	164	0	0	111.4	A233 F235 A240 K241	A233-E237 WeakPolarHBondContact O-CB 3.35Å; A233-E237 PolarHBondContact O-N 2.95Å; F235-E237 PolarHBondContact O-N 3.38Å; E237-A240 PolarHBondContact O-N 3.35Å; E237-K241 HydrophobicContact CG-CD 4.42Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 VanDerWaalsContact O-CG 3.32Å; E237-K241 WeakPolarHBondContact O-CG 3.33Å; E237-K241 PolarHBondContact O-N 3.09Å; E237-K241 WeakPolarHBondContact OE1-CE 3.4Å; E237-K241 IonicContact OE1-NZ 2.63Å; E237-K241 PolarHBondContact OE1-NZ 2.92Å
238	R	85.7	Confident	86.1	Confident	177 Å²	177	116.4 Å²	116.4	67%	0.668	52%	0.522	S	S	*	.	H	α-helix	trans	-63	-43	172.7	-78.1	179.4	-145.3	159.8	5.2	111.8	A234 F235 R236 K241 W242	A234-R238 WeakPolarHBondContact O-CB 3.38Å; A234-R238 VanDerWaalsContact O-CG 3.28Å; A234-R238 WeakPolarHBondContact O-CG 3.41Å; A234-R238 PolarHBondContact O-N 3.31Å; F235-R238 PolarHBondContact O-N 3.36Å; R236-R238 PolarHBondContact O-N 3.47Å; R238-K241 PolarHBondContact O-N 3.17Å; R238-W242 WeakPolarHBondContact O-CB 2.72Å; R238-W242 PolarHBondContact O-N 3.4Å
239	L	86.9	Confident	86.4	Confident	83 Å²	83	117.6 Å²	117.6	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-48.9	177.2	-154	91	0	0	0	110.7	F235 R236 K241 W242 E243	F235-L239 PolarHBondContact O-N 3.34Å; R236-L239 PolarHBondContact O-N 3.36Å; L239-K241 PolarHBondContact O-N 2.89Å; L239-W242 WeakPolarHBondContact O-CB 3.04Å; L239-W242 PolarHBondContact O-N 3.2Å; L239-W242 VanDerWaalsContact O-N 3.1Å; L239-E243 WeakPolarHBondContact O-CG 3.38Å; L239-E243 PolarHBondContact O-N 3.44Å
240	A	90.1	Very high	86.7	Confident	44 Å²	44	111 Å²	111	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-38.7	177.9	0	0	0	0	0	112.7	R236 E237 W242 N244	R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 3.25Å; E237-A240 PolarHBondContact O-N 3.35Å; A240-W242 VanDerWaalsContact C-N 3.34Å; A240-N244 VanDerWaalsContact O-CB 3.31Å; A240-N244 WeakPolarHBondContact O-CB 3.32Å; A240-N244 PolarHBondContact O-N 3.05Å
241	K	87.8	Confident	87.1	Confident	114 Å²	114	108.2 Å²	108.2	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-37.7	173.2	-79.5	177.5	-177.3	168.7	0	112	E237 R238 L239 R245	E237-K241 HydrophobicContact CG-CD 4.42Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 VanDerWaalsContact O-CG 3.32Å; E237-K241 WeakPolarHBondContact O-CG 3.33Å; E237-K241 PolarHBondContact O-N 3.09Å; E237-K241 WeakPolarHBondContact OE1-CE 3.4Å; E237-K241 IonicContact OE1-NZ 2.63Å; E237-K241 PolarHBondContact OE1-NZ 2.92Å; R238-K241 PolarHBondContact O-N 3.17Å; L239-K241 PolarHBondContact O-N 2.89Å; K241-R245 WeakPolarHBondContact O-CB 3.46Å; K241-R245 VanDerWaalsContact O-CG 3.24Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 3.29Å
242	W	88.1	Confident	87.4	Confident	158 Å²	158	105.1 Å²	105.1	60%	0.598	49%	0.492	S	S	*	.	H	α-helix	trans	-68.2	-47.9	175.5	178.2	87.9	0	0	0	111.1	R238 L239 A240 N244 R245 E246	R238-W242 WeakPolarHBondContact O-CB 2.72Å; R238-W242 PolarHBondContact O-N 3.4Å; L239-W242 WeakPolarHBondContact O-CB 3.04Å; L239-W242 PolarHBondContact O-N 3.2Å; L239-W242 VanDerWaalsContact O-N 3.1Å; A240-W242 VanDerWaalsContact C-N 3.34Å; W242-N244 PolarHBondContact O-N 3.25Å; W242-R245 WeakPolarHBondContact O-CB 3.46Å; W242-R245 PolarHBondContact O-N 3.12Å; W242-R245 VanDerWaalsContact O-N 3.13Å; W242-E246 HydrophobicContact CD2-CG 4.33Å; W242-E246 HydrophobicContact CH2-CG 4.34Å; W242-E246 HydrophobicContact CZ2-CG 3.93Å; W242-E246 PolarHBondContact O-N 3.16Å
243	E	87.2	Confident	87.2	Confident	88 Å²	88	107.8 Å²	107.8	41%	0.411	50%	0.498	S	S	.	.	H	α-helix	trans	-59.5	-47.1	176.8	-73.8	-178.6	168.3	0	0	111.7	L239 R245 E246 Q247	L239-E243 WeakPolarHBondContact O-CG 3.38Å; L239-E243 PolarHBondContact O-N 3.44Å; E243-R245 VanDerWaalsContact C-N 3.27Å; E243-R245 PolarHBondContact O-N 2.91Å; E243-E246 PolarHBondContact O-N 3.14Å; E243-Q247 WeakPolarHBondContact O-CB 3.23Å; E243-Q247 WeakPolarHBondContact O-CG 3.35Å; E243-Q247 PolarHBondContact O-N 2.75Å
244	N	88.6	Confident	87.1	Confident	106 Å²	106	112.2 Å²	112.2	57%	0.567	51%	0.51	S	S	*	.	H	α-helix	trans	-61.6	-34	176.4	-85.9	-13.8	0	0	0	112.6	A240 W242 R248	A240-N244 VanDerWaalsContact O-CB 3.31Å; A240-N244 WeakPolarHBondContact O-CB 3.32Å; A240-N244 PolarHBondContact O-N 3.05Å; W242-N244 PolarHBondContact O-N 3.25Å; N244-R248 VanDerWaalsContact O-CB 3.26Å; N244-R248 WeakPolarHBondContact O-CB 3.17Å; N244-R248 PolarHBondContact O-N 3.24Å
245	R	83.7	Confident	87.2	Confident	174 Å²	174	115.7 Å²	115.7	66%	0.657	52%	0.521	S	S	*	.	H	α-helix	trans	-68.6	-44.7	175.4	-78.6	174.4	-176.7	-158.1	1.3	111.3	K241 W242 E243 R248 K249	K241-R245 WeakPolarHBondContact O-CB 3.46Å; K241-R245 VanDerWaalsContact O-CG 3.24Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 3.29Å; W242-R245 WeakPolarHBondContact O-CB 3.46Å; W242-R245 PolarHBondContact O-N 3.12Å; W242-R245 VanDerWaalsContact O-N 3.13Å; E243-R245 VanDerWaalsContact C-N 3.27Å; E243-R245 PolarHBondContact O-N 2.91Å; R245-R248 PolarHBondContact O-N 3.22Å; R245-K249 WeakPolarHBondContact O-CG 3.47Å; R245-K249 PolarHBondContact O-N 2.86Å
246	E	84.5	Confident	87.3	Confident	66 Å²	66	115.5 Å²	115.5	31%	0.308	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-40.4	177.9	-72	-55.4	114.1	0	0	111.3	W242 E243 K249 A250	W242-E246 HydrophobicContact CD2-CG 4.33Å; W242-E246 HydrophobicContact CH2-CG 4.34Å; W242-E246 HydrophobicContact CZ2-CG 3.93Å; W242-E246 PolarHBondContact O-N 3.16Å; E243-E246 PolarHBondContact O-N 3.14Å; E246-K249 PolarHBondContact O-N 3.06Å; E246-K249 IonicContact OE1-NZ 2.84Å; E246-K249 PolarHBondContact OE1-NZ 3.28Å; E246-A250 VanDerWaalsContact O-CB 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3.37Å; E246-A250 PolarHBondContact O-N 2.74Å
247	Q	86.3	Confident	87.6	Confident	121 Å²	121	109.6 Å²	109.6	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-61.4	-43.4	171.6	-72.9	-178.3	19.6	0	0	112	E243 A250 A251	E243-Q247 WeakPolarHBondContact O-CB 3.23Å; E243-Q247 WeakPolarHBondContact O-CG 3.35Å; E243-Q247 PolarHBondContact O-N 2.75Å; Q247-A250 PolarHBondContact O-N 3.16Å; Q247-A251 WeakPolarHBondContact O-CB 3.2Å; Q247-A251 PolarHBondContact O-N 3.22Å
248	R	90.1	Very high	87.9	Confident	191 Å²	191	107 Å²	107	72%	0.721	51%	0.505	S	S	*	.	H	α-helix	trans	-65.1	-41.6	178.7	-161.4	177.2	87.1	173.5	7.8	112.1	N244 R245 A251 E252	N244-R248 VanDerWaalsContact O-CB 3.26Å; N244-R248 WeakPolarHBondContact O-CB 3.17Å; N244-R248 PolarHBondContact O-N 3.24Å; R245-R248 PolarHBondContact O-N 3.22Å; R248-A251 PolarHBondContact O-N 3.47Å; R248-E252 WeakPolarHBondContact O-CB 3.42Å; R248-E252 PolarHBondContact O-N 2.87Å
249	K	88.6	Confident	88.1	Confident	98 Å²	98	104.1 Å²	104.1	43%	0.426	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-40.2	173.8	-70.9	176	-169.3	165.3	0	111.7	R245 E246 E252 R253	R245-K249 WeakPolarHBondContact O-CG 3.47Å; R245-K249 PolarHBondContact O-N 2.86Å; E246-K249 PolarHBondContact O-N 3.06Å; E246-K249 IonicContact OE1-NZ 2.84Å; E246-K249 PolarHBondContact OE1-NZ 3.28Å; K249-E252 PolarHBondContact O-N 2.68Å; K249-R253 WeakPolarHBondContact O-CG 3.1Å; K249-R253 PolarHBondContact O-N 3.42Å
250	A	88.5	Confident	88.2	Confident	42 Å²	42	106.2 Å²	106.2	35%	0.347	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-42.9	176.4	0	0	0	0	0	111.6	E246 Q247 R253 Q254	E246-A250 VanDerWaalsContact O-CB 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3.37Å; E246-A250 PolarHBondContact O-N 2.74Å; Q247-A250 PolarHBondContact O-N 3.16Å; A250-R253 PolarHBondContact O-N 3.34Å; A250-Q254 WeakPolarHBondContact O-CG 3.34Å; A250-Q254 PolarHBondContact O-N 3.47Å
251	A	91.1	Very high	88.1	Confident	53 Å²	53	107 Å²	107	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-43.1	175	0	0	0	0	0	111.9	Q247 R248 R253 Q254 E255	Q247-A251 WeakPolarHBondContact O-CB 3.2Å; Q247-A251 PolarHBondContact O-N 3.22Å; R248-A251 PolarHBondContact O-N 3.47Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 3.36Å; A251-Q254 PolarHBondContact O-N 2.98Å; A251-E255 WeakPolarHBondContact O-CB 3.46Å; A251-E255 PolarHBondContact O-N 3.36Å
252	E	89.3	Confident	87.9	Confident	87 Å²	87	107.8 Å²	107.8	41%	0.407	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-36.9	176.3	-165.5	-171.6	151.4	0	0	112	R248 K249 K256	R248-E252 WeakPolarHBondContact O-CB 3.42Å; R248-E252 PolarHBondContact O-N 2.87Å; K249-E252 PolarHBondContact O-N 2.68Å; E252-K256 HydrophobicContact CG-CD 4.36Å; E252-K256 WeakPolarHBondContact O-CB 3.33Å; E252-K256 VanDerWaalsContact O-CG 3.29Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 2.67Å; E252-K256 WeakPolarHBondContact OE1-CE 3.46Å; E252-K256 IonicContact OE1-NZ 2.67Å; E252-K256 PolarHBondContact OE1-NZ 3.17Å
253	R	82.2	Confident	87.7	Confident	162 Å²	162	106.1 Å²	106.1	61%	0.611	52%	0.522	S	S	*	.	H	α-helix	trans	-64.9	-42.6	172	-73.7	177.2	-171.8	134.8	-2	111.7	K249 A250 A251 K256 A257	K249-R253 WeakPolarHBondContact O-CG 3.1Å; K249-R253 PolarHBondContact O-N 3.42Å; A250-R253 PolarHBondContact O-N 3.34Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 3.36Å; R253-K256 PolarHBondContact O-N 2.87Å; R253-A257 VanDerWaalsContact O-CB 3.24Å; R253-A257 WeakPolarHBondContact O-CB 3.5Å; R253-A257 PolarHBondContact O-N 3.4Å
254	Q	85	Confident	87.5	Confident	146 Å²	146	104.1 Å²	104.1	68%	0.682	52%	0.521	S	S	*	.	H	α-helix	trans	-64.8	-42	176.2	-76.4	-176	-9.4	0	0	111.7	A250 A251 A257 A258	A250-Q254 WeakPolarHBondContact O-CG 3.34Å; A250-Q254 PolarHBondContact O-N 3.47Å; A251-Q254 PolarHBondContact O-N 2.98Å; Q254-A257 PolarHBondContact O-N 3.35Å; Q254-A258 VanDerWaalsContact O-CB 3.29Å; Q254-A258 WeakPolarHBondContact O-CB 3.31Å; Q254-A258 PolarHBondContact O-N 3.1Å
255	E	90.4	Very high	87.2	Confident	105 Å²	105	101.9 Å²	101.9	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-44.3	176.4	-168.4	-165.8	152.4	0	0	111.4	A251 A258 K259	A251-E255 WeakPolarHBondContact O-CB 3.46Å; A251-E255 PolarHBondContact O-N 3.36Å; E255-A258 PolarHBondContact O-N 3.4Å; E255-K259 WeakPolarHBondContact O-CB 3.3Å; E255-K259 WeakPolarHBondContact O-CG 3.48Å; E255-K259 PolarHBondContact O-N 3.41Å; E255-K259 WeakPolarHBondContact OE1-CE 3.43Å; E255-K259 IonicContact OE1-NZ 2.68Å; E255-K259 PolarHBondContact OE1-NZ 2.86Å
256	K	89.6	Confident	86.9	Confident	127 Å²	127	97.7 Å²	97.7	55%	0.552	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-43.4	174.4	-77.6	172.1	171.8	168.4	0	111.6	E252 R253 K259 L260	E252-K256 HydrophobicContact CG-CD 4.36Å; E252-K256 WeakPolarHBondContact O-CB 3.33Å; E252-K256 VanDerWaalsContact O-CG 3.29Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 2.67Å; E252-K256 WeakPolarHBondContact OE1-CE 3.46Å; E252-K256 IonicContact OE1-NZ 2.67Å; E252-K256 PolarHBondContact OE1-NZ 3.17Å; R253-K256 PolarHBondContact O-N 2.87Å; K256-K259 PolarHBondContact O-N 2.73Å; K256-L260 WeakPolarHBondContact O-CB 3.5Å; K256-L260 PolarHBondContact O-N 3.28Å
257	A	90.7	Very high	86.4	Confident	57 Å²	57	99.9 Å²	99.9	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-39.7	175.7	0	0	0	0	0	111.9	R253 Q254 L260 A261	R253-A257 VanDerWaalsContact O-CB 3.24Å; R253-A257 WeakPolarHBondContact O-CB 3.5Å; R253-A257 PolarHBondContact O-N 3.4Å; Q254-A257 PolarHBondContact O-N 3.35Å; A257-L260 PolarHBondContact O-N 2.89Å; A257-A261 VanDerWaalsContact O-CB 3.27Å; A257-A261 WeakPolarHBondContact O-CB 3.33Å; A257-A261 PolarHBondContact O-N 2.98Å
258	A	91.1	Very high	85.8	Confident	48 Å²	48	99.3 Å²	99.3	40%	0.397	53%	0.525	S	S	.	.	H	α-helix	trans	-66.9	-42.2	176	0	0	0	0	0	112	Q254 E255 A261 Q262	Q254-A258 VanDerWaalsContact O-CB 3.29Å; Q254-A258 WeakPolarHBondContact O-CB 3.31Å; Q254-A258 PolarHBondContact O-N 3.1Å; E255-A258 PolarHBondContact O-N 3.4Å; A258-A261 PolarHBondContact O-N 2.92Å; A258-Q262 WeakPolarHBondContact O-CB 3.46Å; A258-Q262 WeakPolarHBondContact O-CG 3.47Å; A258-Q262 PolarHBondContact O-N 3.17Å
259	K	90.6	Very high	85	Confident	116 Å²	116	97 Å²	97	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-43	173.2	-79.8	174.7	171.1	164.1	0	111.8	E255 K256 Q262 L263	E255-K259 WeakPolarHBondContact O-CB 3.3Å; E255-K259 WeakPolarHBondContact O-CG 3.48Å; E255-K259 PolarHBondContact O-N 3.41Å; E255-K259 WeakPolarHBondContact OE1-CE 3.43Å; E255-K259 IonicContact OE1-NZ 2.68Å; E255-K259 PolarHBondContact OE1-NZ 2.86Å; K256-K259 PolarHBondContact O-N 2.73Å; K259-Q262 PolarHBondContact O-N 3.22Å; K259-L263 WeakPolarHBondContact O-CG 3.39Å; K259-L263 PolarHBondContact O-N 3.26Å
260	L	88.3	Confident	83.9	Confident	128 Å²	128	97.9 Å²	97.9	67%	0.67	53%	0.53	S	S	*	.	H	α-helix	trans	-63.8	-42.2	175.6	-163.6	95.6	0	0	0	111.2	K256 A257 L263 A264	K256-L260 WeakPolarHBondContact O-CB 3.5Å; K256-L260 PolarHBondContact O-N 3.28Å; A257-L260 PolarHBondContact O-N 2.89Å; L260-L263 PolarHBondContact O-N 2.95Å; L260-A264 VanDerWaalsContact O-CB 3.31Å; L260-A264 WeakPolarHBondContact O-CB 3.48Å; L260-A264 PolarHBondContact O-N 2.92Å
261	A	88.2	Confident	82.6	Confident	59 Å²	59	103.2 Å²	103.2	49%	0.488	54%	0.542	S	S	.	.	H	α-helix	trans	-65.7	-36.5	175.7	0	0	0	0	0	112.3	A257 A258 A265	A257-A261 VanDerWaalsContact O-CB 3.27Å; A257-A261 WeakPolarHBondContact O-CB 3.33Å; A257-A261 PolarHBondContact O-N 2.98Å; A258-A261 PolarHBondContact O-N 2.92Å; A261-A265 VanDerWaalsContact O-CB 3.28Å; A261-A265 WeakPolarHBondContact O-CB 3.34Å; A261-A265 PolarHBondContact O-N 2.9Å
262	Q	83.4	Confident	81.1	Confident	132 Å²	132	102.3 Å²	102.3	62%	0.617	54%	0.537	S	S	*	.	H	α-helix	trans	-66.8	-44.8	172.9	-77.1	178.6	7.8	0	0	111.8	A258 K259 A265 V266	A258-Q262 WeakPolarHBondContact O-CB 3.46Å; A258-Q262 WeakPolarHBondContact O-CG 3.47Å; A258-Q262 PolarHBondContact O-N 3.17Å; K259-Q262 PolarHBondContact O-N 3.22Å; Q262-A265 PolarHBondContact O-N 2.94Å; Q262-V266 WeakPolarHBondContact O-CG2 3.3Å; Q262-V266 PolarHBondContact O-N 3.3Å
263	L	83.8	Confident	79.3	Confident	122 Å²	122	100.8 Å²	100.8	64%	0.639	53%	0.534	S	S	*	.	H	α-helix	trans	-62.7	-43.1	175.5	-74.6	173.9	0	0	0	111.5	K259 L260 A265 V266 E267	K259-L263 WeakPolarHBondContact O-CG 3.39Å; K259-L263 PolarHBondContact O-N 3.26Å; L260-L263 PolarHBondContact O-N 2.95Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 3.46Å; L263-V266 PolarHBondContact O-N 3.45Å; L263-E267 PolarHBondContact O-N 3.31Å
264	A	83.9	Confident	77.8	Confident	47 Å²	47	98.5 Å²	98.5	39%	0.388	54%	0.538	S	S	.	.	H	α-helix	trans	-62.4	-39.2	174	0	0	0	0	0	111.8	L260 E267 V268	L260-A264 VanDerWaalsContact O-CB 3.31Å; L260-A264 WeakPolarHBondContact O-CB 3.48Å; L260-A264 PolarHBondContact O-N 2.92Å; A264-E267 PolarHBondContact O-N 3.26Å; A264-V268 VanDerWaalsContact O-CG2 3.27Å; A264-V268 WeakPolarHBondContact O-CG2 3.46Å; A264-V268 PolarHBondContact O-N 2.9Å
265	A	81.7	Confident	76.2	Confident	59 Å²	59	98.3 Å²	98.3	49%	0.488	54%	0.542	S	S	.	.	H	α-helix	trans	-66.9	-37	174.8	0	0	0	0	0	112.4	A261 Q262 L263 F269	A261-A265 VanDerWaalsContact O-CB 3.28Å; A261-A265 WeakPolarHBondContact O-CB 3.34Å; A261-A265 PolarHBondContact O-N 2.9Å; Q262-A265 PolarHBondContact O-N 2.94Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 3.46Å; A265-F269 VanDerWaalsContact O-CB 3.29Å; A265-F269 WeakPolarHBondContact O-CB 3.43Å; A265-F269 PolarHBondContact O-N 3.2Å
266	V	77.7	Confident	74.1	Confident	85 Å²	85	100.7 Å²	100.7	52%	0.515	55%	0.551	S	S	.	*	H	α-helix	trans	-68.6	-38.6	173.2	173.4	0	0	0	0	111	Q262 L263 F269 L270	Q262-V266 WeakPolarHBondContact O-CG2 3.3Å; Q262-V266 PolarHBondContact O-N 3.3Å; L263-V266 PolarHBondContact O-N 3.45Å; V266-F269 CarbonylContact O-C 3.53Å; V266-F269 PolarHBondContact O-N 3.36Å; V266-L270 WeakPolarHBondContact O-CB 3.38Å; V266-L270 PolarHBondContact O-N 2.87Å
267	E	73.7	Confident	71.9	Confident	113 Å²	113	99.7 Å²	99.7	53%	0.528	56%	0.56	S	S	.	*	H	α-helix	trans	-60.9	-50.3	172.1	-109.6	-166.8	140.5	0	0	110.9	L263 A264 F269 L270 Y271	L263-E267 PolarHBondContact O-N 3.31Å; A264-E267 PolarHBondContact O-N 3.26Å; E267-F269 PolarHBondContact O-N 3.13Å; E267-L270 PolarHBondContact O-N 3.07Å; E267-Y271 HydrophobicContact CB-CD2 4.23Å; E267-Y271 HydrophobicContact CB-CE2 4.49Å; E267-Y271 HydrophobicContact CG-CD2 4.08Å; E267-Y271 HydrophobicContact CG-CE2 3.85Å; E267-Y271 VanDerWaalsContact O-CB 3.32Å; E267-Y271 WeakPolarHBondContact O-CB 3.35Å; E267-Y271 WeakPolarHBondContact O-CD2 3.42Å; E267-Y271 PolarHBondContact O-N 3.47Å
268	V	74.6	Confident	69.6	Low	108 Å²	108	104.9 Å²	104.9	66%	0.655	58%	0.579	S	S	*	*	H	α-helix	trans	-60.1	-35	176	173	0	0	0	0	110.9	A264 G272	A264-V268 VanDerWaalsContact O-CG2 3.27Å; A264-V268 WeakPolarHBondContact O-CG2 3.46Å; A264-V268 PolarHBondContact O-N 2.9Å; V268-G272 VanDerWaalsContact O-CA 3.25Å; V268-G272 WeakPolarHBondContact O-CA 3.45Å; V268-G272 PolarHBondContact O-N 3.41Å
269	F	72.1	Confident	67.3	Low	142 Å²	142	106.4 Å²	106.4	62%	0.623	59%	0.591	S	S	*	*	H	α-helix	trans	-69.8	-46.8	174.3	-173.4	-98.2	0	0	0	112.1	A265 V266 E267 G272 T273	A265-F269 VanDerWaalsContact O-CB 3.29Å; A265-F269 WeakPolarHBondContact O-CB 3.43Å; A265-F269 PolarHBondContact O-N 3.2Å; V266-F269 CarbonylContact O-C 3.53Å; V266-F269 PolarHBondContact O-N 3.36Å; E267-F269 PolarHBondContact O-N 3.13Å; F269-G272 PolarHBondContact O-N 3.47Å; F269-T273 WeakPolarHBondContact O-CB 3.3Å; F269-T273 PolarHBondContact O-N 3.21Å; F269-T273 PolarHBondContact O-OG1 3.32Å
270	L	66.3	Low	65.1	Low	117 Å²	117	106.6 Å²	106.6	61%	0.613	61%	0.607	S	S	*	*	H	α-helix	trans	-66.9	-45.6	-179.9	-128.4	77.2	0	0	0	111.5	V266 E267 G272 T273 V274	V266-L270 WeakPolarHBondContact O-CB 3.38Å; V266-L270 PolarHBondContact O-N 2.87Å; E267-L270 PolarHBondContact O-N 3.07Å; L270-G272 VanDerWaalsContact C-N 3.34Å; L270-T273 PolarHBondContact O-N 3.24Å; L270-V274 PolarHBondContact O-N 2.84Å
271	Y	61.8	Low	62.9	Low	155 Å²	155	105.4 Å²	105.4	61%	0.608	61%	0.609	S	S	*	*	H	α-helix	trans	-70.7	-28.8	175.4	-74.3	-68.4	0	0	0	112.6	E267 V274	E267-Y271 HydrophobicContact CB-CD2 4.23Å; E267-Y271 HydrophobicContact CB-CE2 4.49Å; E267-Y271 HydrophobicContact CG-CD2 4.08Å; E267-Y271 HydrophobicContact CG-CE2 3.85Å; E267-Y271 VanDerWaalsContact O-CB 3.32Å; E267-Y271 WeakPolarHBondContact O-CB 3.35Å; E267-Y271 WeakPolarHBondContact O-CD2 3.42Å; E267-Y271 PolarHBondContact O-N 3.47Å; Y271-V274 WeakPolarHBondContact O-CG2 3.41Å
272	G	58.3	Low	60.7	Low	33 Å²	33	108.2 Å²	108.2	34%	0.34	63%	0.626	S	S	.	*	H	α-helix	trans	-73.3	-36	172.1	0	0	0	0	0	112.7	V268 F269 L270 N275 F276	V268-G272 VanDerWaalsContact O-CA 3.25Å; V268-G272 WeakPolarHBondContact O-CA 3.45Å; V268-G272 PolarHBondContact O-N 3.41Å; F269-G272 PolarHBondContact O-N 3.47Å; L270-G272 VanDerWaalsContact C-N 3.34Å; G272-N275 CarbonylContact O-C 3.58Å; G272-N275 PolarHBondContact O-N 3.24Å; G272-N275 VanDerWaalsContact O-N 3.13Å; G272-F276 WeakPolarHBondContact O-CB 3.47Å; G272-F276 PolarHBondContact O-N 3.41Å
273	T	53	Low	58.7	Low	55 Å²	55	105.7 Å²	105.7	34%	0.337	64%	0.635	S	S	.	*	H	α-helix	trans	-76.6	-31.5	-176.5	-45.6	0	0	0	0	112.2	F269 L270 N275 F276	F269-T273 WeakPolarHBondContact O-CB 3.3Å; F269-T273 PolarHBondContact O-N 3.21Å; F269-T273 PolarHBondContact O-OG1 3.32Å; L270-T273 PolarHBondContact O-N 3.24Å; T273-N275 PolarHBondContact O-N 2.86Å; T273-F276 PolarHBondContact O-N 3.05Å
274	V	49.8	Very low	56.9	Low	114 Å²	114	107.1 Å²	107.1	69%	0.691	64%	0.643	S	S	*	*	H	α-helix	trans	-64.5	-17.7	169.2	-66.4	0	0	0	0	112.7	L270 Y271	L270-V274 PolarHBondContact O-N 2.84Å; Y271-V274 WeakPolarHBondContact O-CG2 3.41Å
275	N	50.9	Low	55.7	Low	142 Å²	142	112.8 Å²	112.8	76%	0.759	66%	0.662	S	S	*	*	H	α-helix	trans	-104.1	-10	176	-80.7	-29	0	0	0	114.8	G272 T273	G272-N275 CarbonylContact O-C 3.58Å; G272-N275 PolarHBondContact O-N 3.24Å; G272-N275 VanDerWaalsContact O-N 3.13Å; T273-N275 PolarHBondContact O-N 2.86Å
276	F	46.6	Very low	54.4	Low	156 Å²	156	114.6 Å²	114.6	68%	0.684	67%	0.669	S	S	*	*	H	α-helix	trans	-102.7	-12.4	-173	-166.8	-107.6	0	0	0	115.4	G272 T273 L278	G272-F276 WeakPolarHBondContact O-CB 3.47Å; G272-F276 PolarHBondContact O-N 3.41Å; T273-F276 PolarHBondContact O-N 3.05Å; F276-L278 VanDerWaalsContact C-N 3.28Å; F276-L278 PolarHBondContact O-N 3.28Å; F276-L278 VanDerWaalsContact O-N 3.08Å
277	S	44.3	Very low	53	Low	106 Å²	106	119.5 Å²	119.5	74%	0.741	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	34.3	-177.6	-70.8	0	0	0	0	116.3
278	L	40.8	Very low	51.5	Low	165 Å²	165	118 Å²	118	86%	0.864	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	-6.8	169.3	-158.7	62.6	0	0	0	115.2	F276 S280	F276-L278 VanDerWaalsContact C-N 3.28Å; F276-L278 PolarHBondContact O-N 3.28Å; F276-L278 VanDerWaalsContact O-N 3.08Å; L278-S280 PolarHBondContact O-N 3.26Å
279	A	44.1	Very low	49.9	Very low	81 Å²	81	123 Å²	123	67%	0.669	72%	0.716	S	S	*	*			trans	-100.7	76	-175.8	0	0	0	0	0	112.2
280	S	44.9	Very low	48.5	Very low	119 Å²	119	121.3 Å²	121.3	83%	0.832	73%	0.728	S	S	*	*			trans	-64.5	122.4	155.3	-62.4	0	0	0	0	110.1	L278	L278-S280 PolarHBondContact O-N 3.26Å
281	S	41.2	Very low	47.5	Very low	103 Å²	103	118.8 Å²	118.8	72%	0.72	73%	0.73	S	S	*	*				144.3	109.3	123.9	-162.8	0	0	0	0	113.6
282	S	41.3	Very low	47.1	Very low	119 Å²	119	119.3 Å²	119.3	83%	0.832	74%	0.743	S	S	*	*			trans	60.4	110.2	136	-48.8	0	0	0	0	117.7
283	G	42.1	Very low	46.5	Very low	78 Å²	78	126.9 Å²	126.9	80%	0.804	77%	0.766	S	S	*	*				152.6	150.3	58.8	0	0	0	0	0	104.9
284	N	46.3	Very low	45.9	Very low	152 Å²	152	132.8 Å²	132.8	81%	0.813	80%	0.795	S	S	*	*				177.1	114.5	55.4	-169.2	33	0	0	0	108
285	Q	57.4	Low	45.4	Very low	167 Å²	167	130.9 Å²	130.9	78%	0.78	80%	0.798	S	S	*	*			trans	56.1	157.8	132.2	-69.5	-63.9	-28.7	0	0	122.7
286	P	54.4	Low	44.9	Very low	97 Å²	97	128.6 Å²	128.6	63%	0.63	80%	0.799	S	S	*	*				-137.2	-171	-120.7	43.9	-24	0	0	0	115.3
287	M	49.1	Very low	44.7	Very low	187 Å²	187	125.4 Å²	125.4	92%	0.921	80%	0.802	S	S	*	*			trans	158	134.4	131.7	-84.9	-73.1	-92.4	0	0	113.1
288	G	42.4	Very low	44.7	Very low	81 Å²	81	126 Å²	126	84%	0.835	80%	0.801	S	S	*	*			trans	132.9	75.9	152.4	0	0	0	0	0	118.3
289	F	40.1	Very low	45	Very low	215 Å²	215	123.9 Å²	123.9	94%	0.943	80%	0.795	S	S	*	*			trans	-128.1	122	164.3	-149.8	-86.7	0	0	0	108.8
290	A	43.8	Very low	44.9	Very low	105 Å²	105	126.7 Å²	126.7	87%	0.868	80%	0.803	S	S	*	*			trans	-164.2	133.8	168	0	0	0	0	0	111.8
291	G	45.4	Very low	44.5	Very low	64 Å²	64	126.2 Å²	126.2	66%	0.66	81%	0.807	S	S	*	*			trans	135.6	80.7	159.9	0	0	0	0	0	115.2
292	L	52.7	Low	44.4	Very low	166 Å²	166	126.3 Å²	126.3	87%	0.869	81%	0.814	S	S	*	*				78.7	105.3	105.1	-84.4	143.9	0	0	0	113.6
293	K	45.4	Very low	44.5	Very low	192 Å²	192	125.6 Å²	125.6	84%	0.835	82%	0.815	S	S	*	*			cis	75.5	104.9	46.8	-158.4	179.4	-170	168.1	0	113.8
294	L	41.5	Very low	44.3	Very low	180 Å²	180	129.8 Å²	129.8	94%	0.942	82%	0.819	S	S	*	*			trans	-163	126.9	140.3	-139.7	71.9	0	0	0	112.3
295	G	38.6	Very low	44.2	Very low	74 Å²	74	127.5 Å²	127.5	76%	0.763	82%	0.821	S	S	*	*			trans	-133.1	162.8	168	0	0	0	0	0	110.5
296	A	40.1	Very low	43.5	Very low	94 Å²	94	125.4 Å²	125.4	78%	0.777	82%	0.82	S	S	*	*			trans	-179.3	115.2	158.8	0	0	0	0	0	106.2
297	A	42.1	Very low	43	Very low	89 Å²	89	127.4 Å²	127.4	74%	0.736	83%	0.831	S	S	*	*				55.7	125.2	80.3	0	0	0	0	0	111.6
298	T	44.5	Very low	42.7	Very low	118 Å²	118	124.5 Å²	124.5	72%	0.724	82%	0.823	S	S	*	*				179	142	70.9	-58.7	0	0	0	0	110.7
299	T	48.1	Very low	42.8	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	82%	0.822	S	S	*	*			trans	66.1	117.5	147.7	57.1	0	0	0	0	126.2
300	V	40.7	Very low	42.8	Very low	139 Å²	139	125.5 Å²	125.5	84%	0.842	82%	0.817	S	S	*	*			trans	-12.6	141.8	131.9	-76.7	0	0	0	0	121
301	A	38.1	Very low	42.4	Very low	109 Å²	109	128.1 Å²	128.1	90%	0.901	82%	0.817	S	S	*	*			trans	-173.9	137.6	133.4	0	0	0	0	0	111.9
302	A	38.1	Very low	42.2	Very low	106 Å²	106	133.6 Å²	133.6	88%	0.876	82%	0.823	S	S	*	*			trans	-102.9	150.5	177.9	0	0	0	0	0	111.6
303	A	42.8	Very low	41.7	Very low	103 Å²	103	133.8 Å²	133.8	85%	0.851	82%	0.817	S	S	*	*			trans	-152.7	125.8	162.1	0	0	0	0	0	111.2
304	N	39.7	Very low	41.4	Very low	166 Å²	166	128.3 Å²	128.3	89%	0.888	81%	0.807	S	S	*	*			trans	-77.2	149.6	173.8	-82.1	-25.3	0	0	0	111.9
305	A	43.5	Very low	41.5	Very low	105 Å²	105	128.8 Å²	128.8	87%	0.868	81%	0.805	S	S	*	*			trans	-145	123.6	155.6	0	0	0	0	0	110.8
306	T	43.2	Very low	41.7	Very low	122 Å²	122	132.2 Å²	132.2	75%	0.748	81%	0.806	S	S	*	*			trans	-100.5	141.2	-173.2	-41.3	0	0	0	0	109.8
307	T	43.6	Very low	41.8	Very low	140 Å²	140	135.6 Å²	135.6	86%	0.859	81%	0.805	S	S	*	*			trans	-147.2	91.6	162.3	-48.2	0	0	0	0	112.4
308	V	42.8	Very low	41.7	Very low	126 Å²	126	138.3 Å²	138.3	76%	0.764	81%	0.813	S	S	*	*			trans	14.7	130	138.1	-167.7	0	0	0	0	121
309	K	43.4	Very low	41.2	Very low	186 Å²	186	141.4 Å²	141.4	81%	0.809	82%	0.819	S	S	*	*			trans	-87.9	166.8	159.8	-70.4	175.9	174.7	173.6	0	111.3
310	P	41.6	Very low	40.9	Very low	130 Å²	130	144.9 Å²	144.9	84%	0.844	83%	0.827	S	S	*	*				-149.1	165	110.7	32.4	-12.8	0	0	0	116.9
311	N	35.1	Very low	41	Very low	160 Å²	160	146.7 Å²	146.7	86%	0.856	83%	0.827	S	S	*	*			trans	-57.2	151.8	175.6	-76.3	4.3	0	0	0	115.4
312	F	40.7	Very low	42	Very low	180 Å²	180	147 Å²	147	79%	0.789	82%	0.819	S	S	*	*			trans	-143.6	119.8	156.1	-170.2	-98.2	0	0	0	111.3
313	F	41.6	Very low	42.6	Very low	169 Å²	169	147.6 Å²	147.6	74%	0.741	81%	0.814	S	S	*	*			trans	74.8	116.5	156.6	-89.3	-111.5	0	0	0	122.8
314	A	40.4	Very low	42.8	Very low	77 Å²	77	146.8 Å²	146.8	64%	0.636	81%	0.807	S	S	*	*			trans	-98.3	174.4	156.2	0	0	0	0	0	109.4
315	E	42.7	Very low	43.1	Very low	190 Å²	190	150.2 Å²	150.2	89%	0.888	81%	0.808	S	S	*	*			trans	88.2	108.1	164.5	-59.5	179.4	157.2	0	0	117.7
316	D	43.8	Very low	43.4	Very low	146 Å²	146	154.3 Å²	154.3	78%	0.781	81%	0.806	S	S	*	*				131.6	142.1	111.9	-151.5	18.5	0	0	0	115.2
317	E	40.9	Very low	43.9	Very low	165 Å²	165	156.6 Å²	156.6	77%	0.771	81%	0.813	S	S	*	*			trans	-58.8	135.7	-173.3	-57.8	176	121.8	0	0	113.1
318	T	40.1	Very low	44.5	Very low	146 Å²	146	155.3 Å²	155.3	90%	0.896	81%	0.805	S	S	*	*				176.3	152.9	125.2	24.8	0	0	0	0	112.5
319	Q	35	Very low	44.9	Very low	183 Å²	183	154.8 Å²	154.8	86%	0.855	80%	0.804	S	S	*	*			trans	-66.2	144.9	-166.9	-63.2	160.4	-22.1	0	0	114.7
320	E	40.5	Very low	45.1	Very low	195 Å²	195	152.4 Å²	152.4	91%	0.911	80%	0.799	S	S	*	*				177	117.2	123.5	-98.2	-177.4	172.2	0	0	110.4
321	E	44.5	Very low	45.1	Very low	177 Å²	177	154.5 Å²	154.5	83%	0.827	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.1	139.8	175.8	-72.4	-156.4	149.4	0	0	112.4
322	P	57.6	Low	45.5	Very low	115 Å²	115	156.9 Å²	156.9	75%	0.747	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.9	134.5	159.6	30.8	-28.9	0	0	0	109.8	A324	P322-A324 PolarHBondContact O-N 2.92Å
323	P	52	Low	45.5	Very low	118 Å²	118	154.7 Å²	154.7	77%	0.766	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.3	124.3	-162.6	25.9	-34.6	0	0	0	112.9	R325	P323-R325 PolarHBondContact O-N 3.08Å
324	A	45.5	Very low	45.2	Very low	86 Å²	86	155.2 Å²	155.2	71%	0.711	80%	0.803	S	S	*	*			trans	-57.8	109.3	163.3	0	0	0	0	0	109.6	P322 K326	P322-A324 PolarHBondContact O-N 2.92Å; A324-K326 PolarHBondContact O-N 3.31Å
325	R	47.5	Very low	45.1	Very low	238 Å²	238	160.7 Å²	160.7	90%	0.898	82%	0.815	S	S	*	*			trans	-65.5	105.3	168.1	-67.7	-177.3	-178.9	-174.8	-0	107.8	P323 L327	P323-R325 PolarHBondContact O-N 3.08Å; R325-L327 PolarHBondContact O-N 3.04Å
326	K	49.7	Very low	44.9	Very low	192 Å²	192	160.1 Å²	160.1	84%	0.835	81%	0.812	S	S	*	*			trans	-60.1	116.5	170.1	-60.8	177.3	-176.3	178.3	0	107.3	A324 V328	A324-K326 PolarHBondContact O-N 3.31Å; K326-V328 PolarHBondContact O-N 3.13Å
327	L	52.7	Low	44.4	Very low	169 Å²	169	158.7 Å²	158.7	89%	0.885	81%	0.814	S	S	*	*			trans	-60.7	108.3	165.5	-86.5	99.8	0	0	0	107	R325 P329	R325-L327 PolarHBondContact O-N 3.04Å; L327-P329 WeakPolarHBondContact O-CD 3.27Å
328	V	56.4	Low	44.1	Very low	114 Å²	114	154 Å²	154	69%	0.691	81%	0.809	S	S	*	*			trans	-67.4	122.8	162.8	179.1	0	0	0	0	106	K326 L330	K326-V328 PolarHBondContact O-N 3.13Å; V328-L330 PolarHBondContact O-N 3.42Å
329	P	50.5	Low	44.2	Very low	114 Å²	114	153.9 Å²	153.9	74%	0.74	81%	0.808	S	S	*	*			trans	-58.2	107.5	166.4	-20.8	33.4	0	0	0	107.8	L327 E331	L327-P329 WeakPolarHBondContact O-CD 3.27Å; P329-E331 PolarHBondContact O-N 3.17Å; P329-E331 VanDerWaalsContact O-N 3.1Å
330	L	49.1	Very low	44.9	Very low	136 Å²	136	153.6 Å²	153.6	71%	0.712	81%	0.807	S	S	*	*			trans	-70.1	103.9	165.2	-97	104	0	0	0	106.4	V328 Y332	V328-L330 PolarHBondContact O-N 3.42Å; L330-Y332 PolarHBondContact O-N 3.29Å; L330-Y332 VanDerWaalsContact O-N 3.17Å
331	E	41.4	Very low	45.5	Very low	175 Å²	175	146.6 Å²	146.6	82%	0.818	78%	0.775	S	S	*	*			trans	-63.4	110.2	160.7	-65.1	-165.1	171.8	0	0	107.3	P329 T333	P329-E331 PolarHBondContact O-N 3.17Å; P329-E331 VanDerWaalsContact O-N 3.1Å; E331-T333 PolarHBondContact O-N 2.91Å
332	Y	43.1	Very low	46.5	Very low	210 Å²	210	142.1 Å²	142.1	82%	0.824	76%	0.76	S	S	*	*			trans	-70.6	96.2	170.6	-73.6	-88.7	0	0	0	107.5	L330 E334	L330-Y332 PolarHBondContact O-N 3.29Å; L330-Y332 VanDerWaalsContact O-N 3.17Å; Y332-E334 PolarHBondContact O-N 3.4Å
333	T	39.8	Very low	46.7	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	75%	0.753	S	S	*	*			trans	-63.3	111.3	159.3	43.8	0	0	0	0	107.5	E331 E335	E331-T333 PolarHBondContact O-N 2.91Å; T333-E335 PolarHBondContact O-N 2.86Å
334	E	36.7	Very low	47.4	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	74%	0.743	S	S	*	*			trans	-51.9	113.8	168.1	-62.9	175.9	156	0	0	108.5	Y332	Y332-E334 PolarHBondContact O-N 3.4Å
335	E	38.1	Very low	48.4	Very low	192 Å²	192	140.5 Å²	140.5	90%	0.897	73%	0.73	S	S	*	*			trans	-177.4	131.6	150.7	-99	155.5	-142.4	0	0	110.5	T333	T333-E335 PolarHBondContact O-N 2.86Å
336	E	37.7	Very low	49.1	Very low	178 Å²	178	132.7 Å²	132.7	83%	0.832	70%	0.703	S	S	*	*			trans	86.7	83.3	163.2	-59.7	-155.4	137.6	0	0	120.3
337	S	34.5	Very low	49.9	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	70%	0.696	S	S	*	*				65.6	89.3	115.7	51.5	0	0	0	0	119.7
338	G	34.6	Very low	50.9	Low	65 Å²	65	131.1 Å²	131.1	67%	0.67	68%	0.68	S	S	*	*			trans	171.8	75.1	154.5	0	0	0	0	0	113.2	Q340	G338-Q340 VanDerWaalsContact C-N 3.33Å; G338-Q340 PolarHBondContact O-N 3.47Å
339	V	41.7	Very low	51.5	Low	144 Å²	144	126.8 Å²	126.8	87%	0.873	65%	0.654	S	S	*	*			trans	-63.3	90.2	178	-176.5	0	0	0	0	110	L341	V339-L341 PolarHBondContact O-N 2.96Å
340	Q	48.9	Very low	52.3	Low	178 Å²	178	122.2 Å²	122.2	83%	0.832	63%	0.625	S	S	*	*			trans	-78.1	104.6	168.8	-66.5	-171.8	13.2	0	0	108.3	G338 T342	G338-Q340 VanDerWaalsContact C-N 3.33Å; G338-Q340 PolarHBondContact O-N 3.47Å; Q340-T342 PolarHBondContact O-N 3.39Å
341	L	54.4	Low	53.4	Low	47 Å²	47	122.4 Å²	122.4	25%	0.246	62%	0.62	C	S	.	*			trans	-47.5	128.2	171.7	-82.9	134.6	0	0	0	110.7	V339 E345 K346 V451	V339-L341 PolarHBondContact O-N 2.96Å; L341-E345 HydrophobicContact CD2-CB 3.88Å; L341-E345 HydrophobicContact CD2-CG 3.6Å; L341-K346 HydrophobicContact CB-CD 4.43Å; L341-K346 HydrophobicContact CB-CG 3.77Å; L341-K346 VanDerWaalsContact O-CE 3.26Å; L341-K346 WeakPolarHBondContact O-CE 3.48Å; L341-V451 HydrophobicContact CD1-CG2 4.24Å
342	T	63.9	Low	55.2	Low	84 Å²	84	117.1 Å²	117.1	52%	0.515	60%	0.6	S	S	.	*			trans	-58	149.7	176.3	66.3	0	0	0	0	110.1	Q340 E344 E345 K346	Q340-T342 PolarHBondContact O-N 3.39Å; T342-E344 PolarHBondContact O-N 3.34Å; T342-E345 PolarHBondContact O-N 3.17Å; T342-E345 WeakPolarHBondContact OG1-CB 3.4Å; T342-E345 PolarHBondContact OG1-N 3.5Å; T342-K346 PolarHBondContact O-N 3.05Å
343	A	62.5	Low	56.6	Low	73 Å²	73	107.2 Å²	107.2	60%	0.603	56%	0.561	S	S	*	*	H	α-helix	trans	-57.4	-26.4	-179	0	0	0	0	0	112.8	R347	A343-R347 VanDerWaalsContact O-CG 3.29Å; A343-R347 WeakPolarHBondContact O-CG 3.37Å; A343-R347 PolarHBondContact O-N 3.26Å
344	E	65.8	Low	58.2	Low	117 Å²	117	105.8 Å²	105.8	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-73.9	-40	176.3	-158.4	177.2	154.6	0	0	112.1	T342 R347 R348	T342-E344 PolarHBondContact O-N 3.34Å; E344-R347 WeakPolarHBondContact O-CB 3.17Å; E344-R347 PolarHBondContact O-N 3.02Å; E344-R348 WeakPolarHBondContact O-CG 3.28Å; E344-R348 PolarHBondContact O-N 3.29Å; E344-R348 IonicContact OE1-CZ 3.14Å; E344-R348 IonicContact OE1-NE 3.53Å; E344-R348 IonicContact OE1-NH2 2.73Å; E344-R348 PolarHBondContact OE1-NH2 3.24Å
345	E	66.7	Low	60	Low	95 Å²	95	104.6 Å²	104.6	44%	0.444	54%	0.542	S	S	.	.	H	α-helix	trans	-70.5	-39	179.1	-154.4	142.1	-161.1	0	0	112.1	L341 T342 R347 R348 V349	L341-E345 HydrophobicContact CD2-CB 3.88Å; L341-E345 HydrophobicContact CD2-CG 3.6Å; T342-E345 PolarHBondContact O-N 3.17Å; T342-E345 WeakPolarHBondContact OG1-CB 3.4Å; T342-E345 PolarHBondContact OG1-N 3.5Å; E345-R347 PolarHBondContact O-N 3.48Å; E345-R348 PolarHBondContact O-N 3.28Å; E345-R348 VanDerWaalsContact O-N 3.11Å; E345-V349 WeakPolarHBondContact O-CB 3.44Å; E345-V349 WeakPolarHBondContact O-CG2 3.46Å; E345-V349 PolarHBondContact O-N 3.07Å
346	K	63.9	Low	61.8	Low	73 Å²	73	101.5 Å²	101.5	32%	0.317	53%	0.525	S	S	.	.	H	α-helix	trans	-57.2	-36.6	169.8	-65.4	-173.1	178.4	-177.7	0	112.2	L341 T342 A350 V451	L341-K346 HydrophobicContact CB-CD 4.43Å; L341-K346 HydrophobicContact CB-CG 3.77Å; L341-K346 VanDerWaalsContact O-CE 3.26Å; L341-K346 WeakPolarHBondContact O-CE 3.48Å; T342-K346 PolarHBondContact O-N 3.05Å; K346-A350 VanDerWaalsContact O-CB 3.26Å; K346-A350 WeakPolarHBondContact O-CB 3.28Å; K346-A350 PolarHBondContact O-N 3.3Å; K346-V451 HydrophobicContact CB-CG1 3.86Å; K346-V451 HydrophobicContact CD-CG1 4.34Å; K346-V451 HydrophobicContact CG-CG1 3.95Å; K346-V451 HydrophobicContact CG-CG2 4.4Å
347	R	66	Low	63.6	Low	184 Å²	184	94.2 Å²	94.2	69%	0.694	49%	0.492	S	S	*	.	H	α-helix	trans	-72.3	-38	175.9	-72.3	172.1	-175.4	-160.2	3	112.3	A343 E344 E345 A350 K351	A343-R347 VanDerWaalsContact O-CG 3.29Å; A343-R347 WeakPolarHBondContact O-CG 3.37Å; A343-R347 PolarHBondContact O-N 3.26Å; E344-R347 WeakPolarHBondContact O-CB 3.17Å; E344-R347 PolarHBondContact O-N 3.02Å; E345-R347 PolarHBondContact O-N 3.48Å; R347-A350 PolarHBondContact O-N 3.44Å; R347-K351 WeakPolarHBondContact O-CG 3.32Å; R347-K351 PolarHBondContact O-N 2.93Å
348	R	73.7	Confident	65.7	Low	145 Å²	145	89.6 Å²	89.6	55%	0.547	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-48.8	175.5	-69	176.5	-169.6	179.5	3.4	110.4	E344 E345 A350 K351 V352	E344-R348 WeakPolarHBondContact O-CG 3.28Å; E344-R348 PolarHBondContact O-N 3.29Å; E344-R348 IonicContact OE1-CZ 3.14Å; E344-R348 IonicContact OE1-NE 3.53Å; E344-R348 IonicContact OE1-NH2 2.73Å; E344-R348 PolarHBondContact OE1-NH2 3.24Å; E345-R348 PolarHBondContact O-N 3.28Å; E345-R348 VanDerWaalsContact O-N 3.11Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 3.26Å; R348-K351 PolarHBondContact O-N 2.92Å; R348-V352 WeakPolarHBondContact O-CG2 3.08Å; R348-V352 PolarHBondContact O-N 3.3Å
349	V	67.9	Low	67.6	Low	23 Å²	23	92.4 Å²	92.4	14%	0.139	46%	0.464	C	S	.	.	H	α-helix	trans	-56.7	-47.9	173.9	167.6	0	0	0	0	110.8	E345 K351 V352 I353 Q449 V451	E345-V349 WeakPolarHBondContact O-CB 3.44Å; E345-V349 WeakPolarHBondContact O-CG2 3.46Å; E345-V349 PolarHBondContact O-N 3.07Å; V349-K351 VanDerWaalsContact C-N 3.33Å; V349-K351 PolarHBondContact O-N 3.45Å; V349-V352 PolarHBondContact O-N 3.19Å; V349-I353 HydrophobicContact CG1-CD1 3.61Å; V349-I353 HydrophobicContact CG1-CG1 4.3Å; V349-I353 VanDerWaalsContact O-CG1 3.26Å; V349-I353 WeakPolarHBondContact O-CG1 3.39Å; V349-I353 PolarHBondContact O-N 3.49Å; V349-Q449 HydrophobicContact CG1-CB 3.8Å; V349-Q449 HydrophobicContact CG1-CG 4.44Å; V349-V451 HydrophobicContact CB-CG2 3.76Å; V349-V451 HydrophobicContact CG1-CB 4.1Å; V349-V451 HydrophobicContact CG1-CG2 3.36Å; V349-V451 HydrophobicContact CG2-CG2 4.09Å
350	A	68.1	Low	69.3	Low	17 Å²	17	87.9 Å²	87.9	14%	0.14	44%	0.438	C	S	.	.	H	α-helix	trans	-59.5	-40.6	177.7	0	0	0	0	0	112.9	K346 R347 R348 I353 I354 Y442	K346-A350 VanDerWaalsContact O-CB 3.26Å; K346-A350 WeakPolarHBondContact O-CB 3.28Å; K346-A350 PolarHBondContact O-N 3.3Å; R347-A350 PolarHBondContact O-N 3.44Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 3.26Å; A350-I353 PolarHBondContact O-N 2.94Å; A350-I354 WeakPolarHBondContact O-CD1 3.44Å; A350-I354 WeakPolarHBondContact O-CG1 3.33Å; A350-I354 PolarHBondContact O-N 3.4Å; A350-Y442 HydrophobicContact CB-CE2 4.48Å
351	K	72.8	Confident	70.9	Confident	140 Å²	140	83.1 Å²	83.1	61%	0.609	42%	0.415	S	S	*	.	H	α-helix	trans	-63.1	-46.7	175.6	-75.4	-179.3	178.1	-170	0	112	R347 R348 V349 I353 I354 E355	R347-K351 WeakPolarHBondContact O-CG 3.32Å; R347-K351 PolarHBondContact O-N 2.93Å; R348-K351 PolarHBondContact O-N 2.92Å; V349-K351 VanDerWaalsContact C-N 3.33Å; V349-K351 PolarHBondContact O-N 3.45Å; K351-I353 VanDerWaalsContact C-N 3.27Å; K351-I353 PolarHBondContact O-N 3.47Å; K351-I354 PolarHBondContact O-N 3.18Å; K351-I354 VanDerWaalsContact O-N 3.15Å; K351-E355 WeakPolarHBondContact O-CG 3.45Å; K351-E355 PolarHBondContact O-N 3.08Å
352	V	78.2	Confident	72.2	Confident	64 Å²	64	86.5 Å²	86.5	39%	0.388	43%	0.433	S	S	.	.	H	α-helix	trans	-61.5	-38.1	178	173.8	0	0	0	0	111.1	R348 V349 K356	R348-V352 WeakPolarHBondContact O-CG2 3.08Å; R348-V352 PolarHBondContact O-N 3.3Å; V349-V352 PolarHBondContact O-N 3.19Å; V352-K356 WeakPolarHBondContact O-CG 3.43Å; V352-K356 PolarHBondContact O-N 2.96Å
353	I	72.5	Confident	73	Confident	2 Å²	2	88 Å²	88	1%	0.01	43%	0.434	C	S	.	.	H	α-helix	trans	-64.9	-46.6	174.7	-66.1	166	0	0	0	110.5	V349 A350 K351 E355 K356 I357 Y442 E445 A446 Q449	V349-I353 HydrophobicContact CG1-CD1 3.61Å; V349-I353 HydrophobicContact CG1-CG1 4.3Å; V349-I353 VanDerWaalsContact O-CG1 3.26Å; V349-I353 WeakPolarHBondContact O-CG1 3.39Å; V349-I353 PolarHBondContact O-N 3.49Å; A350-I353 PolarHBondContact O-N 2.94Å; K351-I353 VanDerWaalsContact C-N 3.27Å; K351-I353 PolarHBondContact O-N 3.47Å; I353-E355 VanDerWaalsContact C-N 3.34Å; I353-E355 PolarHBondContact O-N 2.77Å; I353-K356 PolarHBondContact O-N 2.95Å; I353-I357 HydrophobicContact CG2-CD1 4.41Å; I353-I357 WeakPolarHBondContact O-CG1 3.48Å; I353-Y442 HydrophobicContact CG2-CD2 3.75Å; I353-Y442 HydrophobicContact CG2-CE2 4.35Å; I353-E445 HydrophobicContact CD1-CB 4.28Å; I353-E445 HydrophobicContact CG1-CB 4.11Å; I353-E445 HydrophobicContact CG2-CB 3.71Å; I353-A446 HydrophobicContact CD1-CB 4.32Å; I353-Q449 VanDerWaalsContact CG1-NE2 3.27Å
354	I	73.2	Confident	73.9	Confident	103 Å²	103	84.5 Å²	84.5	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-39.2	-178.4	-68.3	163.8	0	0	0	111.5	A350 K351 K356 I357 Y442	A350-I354 WeakPolarHBondContact O-CD1 3.44Å; A350-I354 WeakPolarHBondContact O-CG1 3.33Å; A350-I354 PolarHBondContact O-N 3.4Å; K351-I354 PolarHBondContact O-N 3.18Å; K351-I354 VanDerWaalsContact O-N 3.15Å; I354-K356 PolarHBondContact O-N 3.49Å; I354-I357 PolarHBondContact O-N 3.2Å; I354-Y442 HydrophobicContact CG1-CD2 4.35Å; I354-Y442 HydrophobicContact CG1-CE2 4.41Å
355	E	75.5	Confident	74.6	Confident	157 Å²	157	80.6 Å²	80.6	73%	0.734	39%	0.387	S	S	*	.	H	α-helix	trans	-65.2	-27.3	177.8	-74.5	171.5	-172.5	0	0	113.1	K351 I353 I357	K351-E355 WeakPolarHBondContact O-CG 3.45Å; K351-E355 PolarHBondContact O-N 3.08Å; I353-E355 VanDerWaalsContact C-N 3.34Å; I353-E355 PolarHBondContact O-N 2.77Å; E355-I357 VanDerWaalsContact C-N 3.34Å
356	K	75.4	Confident	75.4	Confident	126 Å²	126	79.7 Å²	79.7	55%	0.548	40%	0.395	S	S	.	.	H	α-helix	trans	-77.4	-17.8	176	-71.8	176.5	-178.3	-176.6	0	113.5	V352 I353 I354 P358	V352-K356 WeakPolarHBondContact O-CG 3.43Å; V352-K356 PolarHBondContact O-N 2.96Å; I353-K356 PolarHBondContact O-N 2.95Å; I354-K356 PolarHBondContact O-N 3.49Å; K356-P358 WeakPolarHBondContact O-CD 3.42Å
357	I	75.8	Confident	75.6	Confident	25 Å²	25	80.9 Å²	80.9	13%	0.128	40%	0.402	C	S	.	.	S	Bend	trans	-81.4	118.5	-175.6	-63.9	170	0	0	0	109.2	I353 I354 E355 T359 L364 R438 I441	I353-I357 HydrophobicContact CG2-CD1 4.41Å; I353-I357 WeakPolarHBondContact O-CG1 3.48Å; I354-I357 PolarHBondContact O-N 3.2Å; E355-I357 VanDerWaalsContact C-N 3.34Å; I357-T359 PolarHBondContact O-N 3.2Å; I357-L364 HydrophobicContact CG2-CD1 3.95Å; I357-R438 HydrophobicContact CG2-CB 4.46Å; I357-R438 HydrophobicContact CG2-CG 3.9Å; I357-I441 HydrophobicContact CD1-CG2 4.26Å; I357-I441 HydrophobicContact CG1-CG2 3.84Å
358	P	78.1	Confident	75.8	Confident	20 Å²	20	79.6 Å²	79.6	13%	0.13	41%	0.409	C	S	.	.			trans	-60.2	139.2	178.6	-23.1	34.1	0	0	0	112.4	K356 E363 Q367	K356-P358 WeakPolarHBondContact O-CD 3.42Å; P358-E363 HydrophobicContact CB-CB 3.53Å; P358-E363 HydrophobicContact CG-CB 4.05Å; P358-Q367 HydrophobicContact CG-CG 3.9Å
359	T	74.4	Confident	75.7	Confident	124 Å²	124	73.7 Å²	73.7	76%	0.761	39%	0.388	S	S	*	.	S	Bend	trans	-79	-24.6	174.2	48.8	0	0	0	0	112.3	I357 R438	I357-T359 PolarHBondContact O-N 3.2Å; T359-R438 PolarHBondContact O-NH2 3.34Å
360	S	78.8	Confident	75.7	Confident	48 Å²	48	76.9 Å²	76.9	34%	0.336	40%	0.404	S	S	.	.	S	Bend	trans	-77.2	142.2	-179.4	-172.3	0	0	0	0	112.1	L364	S360-L364 WeakPolarHBondContact O-CB 3.48Å; S360-L364 PolarHBondContact O-N 3.47Å
361	K	80.5	Confident	76.1	Confident	79 Å²	79	78.7 Å²	78.7	34%	0.343	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-45.5	178.4	177.7	-176.3	172	-177.5	0	111.3	L364 F365 T430 V434	K361-L364 WeakPolarHBondContact O-CB 3.14Å; K361-L364 PolarHBondContact O-N 2.78Å; K361-F365 HydrophobicContact CD-CE2 4.47Å; K361-F365 HydrophobicContact CG-CD2 4.4Å; K361-F365 HydrophobicContact CG-CE1 4.45Å; K361-F365 HydrophobicContact CG-CE2 4.04Å; K361-F365 HydrophobicContact CG-CZ 4.07Å; K361-F365 WeakPolarHBondContact O-CD1 3.39Å; K361-F365 WeakPolarHBondContact O-CG 3.45Å; K361-F365 PolarHBondContact O-N 3.1Å; K361-T430 HydrophobicContact CD-CG2 4.17Å; K361-V434 HydrophobicContact CG-CG2 4.22Å
362	D	83.6	Confident	75.9	Confident	117 Å²	117	78.1 Å²	78.1	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-72.6	-40.2	-173.5	-55.8	-37.9	0	0	0	111.2	L364 F365 A366	D362-L364 VanDerWaalsContact C-N 3.33Å; D362-L364 PolarHBondContact O-N 3.18Å; D362-F365 PolarHBondContact O-N 2.85Å; D362-A366 WeakPolarHBondContact O-CB 3.38Å; D362-A366 PolarHBondContact O-N 2.86Å
363	E	80.7	Confident	75.4	Confident	115 Å²	115	80.4 Å²	80.4	54%	0.537	41%	0.413	S	S	.	.	H	α-helix	trans	-66.1	-37.5	174.5	-63.4	176.9	167.1	0	0	111.6	P358 F365 A366 Q367	P358-E363 HydrophobicContact CB-CB 3.53Å; P358-E363 HydrophobicContact CG-CB 4.05Å; E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 3.38Å; E363-A366 PolarHBondContact O-N 3.2Å; E363-Q367 WeakPolarHBondContact O-CG 3.32Å; E363-Q367 PolarHBondContact O-N 2.74Å
364	L	79.4	Confident	75.3	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-64.3	-36.8	176.3	-175.4	71.8	0	0	0	111.6	I357 S360 K361 D362 V434 W437 R438 I441	I357-L364 HydrophobicContact CG2-CD1 3.95Å; S360-L364 WeakPolarHBondContact O-CB 3.48Å; S360-L364 PolarHBondContact O-N 3.47Å; K361-L364 WeakPolarHBondContact O-CB 3.14Å; K361-L364 PolarHBondContact O-N 2.78Å; D362-L364 VanDerWaalsContact C-N 3.33Å; D362-L364 PolarHBondContact O-N 3.18Å; L364-V434 HydrophobicContact CD2-CB 4.31Å; L364-V434 HydrophobicContact CD2-CG1 3.85Å; L364-V434 HydrophobicContact CD2-CG2 4.46Å; L364-W437 HydrophobicContact CD2-CB 4.07Å; L364-W437 HydrophobicContact CG-CB 4.24Å; L364-W437 HydrophobicContact CG-CG 4.42Å; L364-W437 PolarHBondContact O-NE1 3.43Å; L364-R438 HydrophobicContact CD1-CG 3.86Å; L364-R438 HydrophobicContact CD2-CG 3.86Å; L364-I441 HydrophobicContact CD1-CD1 3.52Å; L364-I441 HydrophobicContact CG-CD1 4.48Å
365	F	81.9	Confident	75	Confident	36 Å²	36	81.5 Å²	81.5	16%	0.158	42%	0.42	C	S	.	.	H	α-helix	trans	-79.3	-24.5	178.8	-71.5	4.2	0	0	0	113	K361 D362 E363 P414 L418 V433	K361-F365 HydrophobicContact CD-CE2 4.47Å; K361-F365 HydrophobicContact CG-CD2 4.4Å; K361-F365 HydrophobicContact CG-CE1 4.45Å; K361-F365 HydrophobicContact CG-CE2 4.04Å; K361-F365 HydrophobicContact CG-CZ 4.07Å; K361-F365 WeakPolarHBondContact O-CD1 3.39Å; K361-F365 WeakPolarHBondContact O-CG 3.45Å; K361-F365 PolarHBondContact O-N 3.1Å; D362-F365 PolarHBondContact O-N 2.85Å; E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 3.38Å; F365-P414 HydrophobicContact CB-CG 3.7Å; F365-P414 HydrophobicContact CD1-CB 3.58Å; F365-P414 HydrophobicContact CD1-CG 3.72Å; F365-P414 HydrophobicContact CD2-CB 4.18Å; F365-P414 HydrophobicContact CD2-CG 4.04Å; F365-P414 HydrophobicContact CE1-CB 3.71Å; F365-P414 HydrophobicContact CE1-CG 4.34Å; F365-P414 HydrophobicContact CE2-CB 4.27Å; F365-P414 HydrophobicContact CG-CB 3.85Å; F365-P414 HydrophobicContact CG-CG 3.55Å; F365-P414 HydrophobicContact CZ-CB 4.05Å; F365-L418 HydrophobicContact CE2-CD1 4.35Å; F365-L418 HydrophobicContact CZ-CD1 4.23Å; F365-V433 HydrophobicContact CE1-CG1 4.13Å; F365-V433 HydrophobicContact CZ-CG1 3.93Å
366	A	82.1	Confident	74.6	Confident	76 Å²	76	76.6 Å²	76.6	63%	0.628	40%	0.403	S	S	*	.	H	α-helix	trans	-84.3	-10	176.5	0	0	0	0	0	114	D362 E363 D368	D362-A366 WeakPolarHBondContact O-CB 3.38Å; D362-A366 PolarHBondContact O-N 2.86Å; E363-A366 PolarHBondContact O-N 3.2Å; A366-D368 PolarHBondContact O-N 3.05Å
367	Q	69.8	Low	74.3	Confident	98 Å²	98	70.6 Å²	70.6	46%	0.458	38%	0.377	S	S	.	.	S	Bend	trans	-68.1	128	177.9	-83.7	-73.8	-22	0	0	112	P358 E363 I369 I441	P358-Q367 HydrophobicContact CG-CG 3.9Å; E363-Q367 WeakPolarHBondContact O-CG 3.32Å; E363-Q367 PolarHBondContact O-N 2.74Å; Q367-I369 PolarHBondContact O-N 2.98Å; Q367-I441 HydrophobicContact CB-CD1 4.43Å
368	D	70.2	Confident	74	Confident	157 Å²	157	69.8 Å²	69.8	84%	0.84	38%	0.375	S	S	*	.			trans	-74.6	106.4	177.4	-74.1	-40.1	0	0	0	110.9	A366	A366-D368 PolarHBondContact O-N 3.05Å
369	I	72	Confident	73.9	Confident	20 Å²	20	74.6 Å²	74.6	10%	0.103	40%	0.399	C	S	.	.			trans	-83.8	126.5	178.3	-68.4	165.5	0	0	0	110.3	Q367 W371 W437 L440 I441 I444	Q367-I369 PolarHBondContact O-N 2.98Å; I369-W371 HydrophobicContact CB-CZ2 4.37Å; I369-W371 HydrophobicContact CG2-CD2 4.21Å; I369-W371 HydrophobicContact CG2-CE3 4.5Å; I369-W371 PolarHBondContact O-N 3.32Å; I369-W371 VanDerWaalsContact O-N 3.08Å; I369-W371 PolarHBondContact O-NE1 2.98Å; I369-W437 HydrophobicContact CD1-CD2 4.13Å; I369-W437 HydrophobicContact CD1-CH2 4.26Å; I369-W437 HydrophobicContact CD1-CZ2 3.39Å; I369-W437 VanDerWaalsContact CD1-NE1 3.28Å; I369-L440 HydrophobicContact CD1-CD2 3.88Å; I369-I441 HydrophobicContact CD1-CG1 4.15Å; I369-I441 HydrophobicContact CG1-CG1 4.09Å; I369-I444 HydrophobicContact CG2-CD1 3.24Å
370	L	67.9	Low	74	Confident	90 Å²	90	70.7 Å²	70.7	47%	0.471	37%	0.371	S	S	.	.			trans	-74.2	95.6	168.3	-82.1	128.7	0	0	0	110.2	D372	L370-D372 PolarHBondContact O-N 2.87Å; L370-D372 VanDerWaalsContact O-N 3.16Å
371	W	75.3	Confident	74.3	Confident	56 Å²	56	68.6 Å²	68.6	21%	0.212	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-68.2	-9.1	-174.2	-64	97.4	0	0	0	115.6	I369 Y373 V374 V408 K411 W437 L440	I369-W371 HydrophobicContact CB-CZ2 4.37Å; I369-W371 HydrophobicContact CG2-CD2 4.21Å; I369-W371 HydrophobicContact CG2-CE3 4.5Å; I369-W371 PolarHBondContact O-N 3.32Å; I369-W371 VanDerWaalsContact O-N 3.08Å; I369-W371 PolarHBondContact O-NE1 2.98Å; W371-Y373 PolarHBondContact O-N 3.43Å; W371-V374 HydrophobicContact CB-CG2 4.48Å; W371-V374 HydrophobicContact CE3-CB 4.44Å; W371-V374 HydrophobicContact CE3-CG1 4.39Å; W371-V374 HydrophobicContact CE3-CG2 3.82Å; W371-V374 HydrophobicContact CZ3-CG2 4.48Å; W371-V374 WeakPolarHBondContact O-CB 3.32Å; W371-V374 WeakPolarHBondContact O-CG2 3.43Å; W371-V374 PolarHBondContact O-N 3.17Å; W371-V408 WeakPolarHBondContact CZ3-O 3.48Å; W371-K411 HydrophobicContact CB-CD 3.6Å; W371-K411 HydrophobicContact CB-CG 4.13Å; W371-K411 HydrophobicContact CD2-CB 3.63Å; W371-K411 HydrophobicContact CD2-CD 3.83Å; W371-K411 HydrophobicContact CD2-CG 3.51Å; W371-K411 HydrophobicContact CE3-CB 3.79Å; W371-K411 HydrophobicContact CE3-CD 4.3Å; W371-K411 HydrophobicContact CE3-CG 3.55Å; W371-K411 HydrophobicContact CG-CB 4.18Å; W371-K411 HydrophobicContact CG-CD 3.48Å; W371-K411 VanDerWaalsContact CG-CD 3.48Å; W371-K411 HydrophobicContact CG-CG 3.76Å; W371-K411 HydrophobicContact CH2-CB 4.14Å; W371-K411 HydrophobicContact CZ2-CB 3.95Å; W371-K411 HydrophobicContact CZ3-CB 4.06Å; W371-K411 HydrophobicContact CZ3-CG 4.23Å; W371-W437 AromaticContact CH2-CH2 3.79Å; W371-W437 HydrophobicContact CH2-CH2 3.79Å; W371-W437 HydrophobicContact CH2-CZ2 4.35Å; W371-W437 HydrophobicContact CZ2-CH2 4.25Å; W371-W437 HydrophobicContact CZ2-CZ2 4.46Å; W371-L440 HydrophobicContact CH2-CD2 4.41Å; W371-L440 HydrophobicContact CZ3-CD2 4.34Å
372	D	69.2	Low	74.6	Confident	128 Å²	128	70.6 Å²	70.6	68%	0.684	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.3	-24.8	-173.3	-64.1	-23.4	0	0	0	113.5	L370	L370-D372 PolarHBondContact O-N 2.87Å; L370-D372 VanDerWaalsContact O-N 3.16Å
373	Y	68.2	Low	74.8	Confident	111 Å²	111	69.3 Å²	69.3	44%	0.435	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-92	-2.1	179.6	-63.1	-80.5	0	0	0	113.7	W371 D375 V377 K447	W371-Y373 PolarHBondContact O-N 3.43Å; Y373-D375 PolarHBondContact O-N 2.82Å; Y373-V377 WeakPolarHBondContact O-CG2 3.49Å; Y373-K447 HydrophobicContact CD1-CB 4.47Å
374	V	68.9	Low	75.2	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.024	34%	0.344	C	S	.	.	H	α-helix	trans	-71.2	-28.8	-165.6	173.6	0	0	0	0	113.5	W371 S376 V377 G378 V408 L440 I444	W371-V374 HydrophobicContact CB-CG2 4.48Å; W371-V374 HydrophobicContact CE3-CB 4.44Å; W371-V374 HydrophobicContact CE3-CG1 4.39Å; W371-V374 HydrophobicContact CE3-CG2 3.82Å; W371-V374 HydrophobicContact CZ3-CG2 4.48Å; W371-V374 WeakPolarHBondContact O-CB 3.32Å; W371-V374 WeakPolarHBondContact O-CG2 3.43Å; W371-V374 PolarHBondContact O-N 3.17Å; V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 3.23Å; V374-V377 CarbonylContact O-C 3.39Å; V374-V377 WeakPolarHBondContact O-CA 3.4Å; V374-V377 WeakPolarHBondContact O-CB 3.4Å; V374-V377 PolarHBondContact O-N 3.24Å; V374-G378 PolarHBondContact O-N 2.94Å; V374-V408 HydrophobicContact CG1-CG1 4.03Å; V374-L440 HydrophobicContact CG2-CD1 4.45Å; V374-I444 HydrophobicContact CG2-CD1 3.66Å; V374-I444 HydrophobicContact CG2-CG1 4.24Å
375	D	67.8	Low	75.6	Confident	125 Å²	125	66.7 Å²	66.7	67%	0.668	34%	0.344	S	S	*	.	H	α-helix	trans	-61	-42.9	-179.1	-75.7	-25.4	0	0	0	112.6	Y373 V377 G378	Y373-D375 PolarHBondContact O-N 2.82Å; D375-V377 VanDerWaalsContact C-N 3.25Å; D375-V377 PolarHBondContact O-N 2.97Å; D375-G378 PolarHBondContact O-N 2.75Å
376	S	66.8	Low	76	Confident	54 Å²	54	65.4 Å²	65.4	38%	0.378	34%	0.341	S	S	.	.	H	α-helix	trans	-73.9	-20.7	175.2	174.4	0	0	0	0	111.4	V374 K447	V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 3.23Å; S376-K447 PolarHBondContact O-NZ 2.98Å; S376-K447 PolarHBondContact OG-NZ 3.31Å
377	V	68.7	Low	76.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-79.6	-30.1	177.7	174.1	0	0	0	0	111.4	Y373 V374 D375 N379 R380 I381 L440 E443 I444 K447	Y373-V377 WeakPolarHBondContact O-CG2 3.49Å; V374-V377 CarbonylContact O-C 3.39Å; V374-V377 WeakPolarHBondContact O-CA 3.4Å; V374-V377 WeakPolarHBondContact O-CB 3.4Å; V374-V377 PolarHBondContact O-N 3.24Å; D375-V377 VanDerWaalsContact C-N 3.25Å; D375-V377 PolarHBondContact O-N 2.97Å; V377-N379 PolarHBondContact O-N 3.45Å; V377-R380 PolarHBondContact O-N 2.79Å; V377-I381 HydrophobicContact CG1-CD1 3.42Å; V377-I381 VanDerWaalsContact CG1-CD1 3.42Å; V377-I381 HydrophobicContact CG1-CG1 3.69Å; V377-I381 PolarHBondContact O-N 2.87Å; V377-L440 HydrophobicContact CG1-CD1 4.07Å; V377-E443 HydrophobicContact CB-CG 4.25Å; V377-E443 HydrophobicContact CG1-CB 3.88Å; V377-E443 HydrophobicContact CG1-CG 3.76Å; V377-E443 HydrophobicContact CG2-CB 4.19Å; V377-E443 HydrophobicContact CG2-CG 3.7Å; V377-I444 HydrophobicContact CG2-CG1 4.31Å; V377-K447 HydrophobicContact CG2-CD 3.86Å; V377-K447 VanDerWaalsContact N-NZ 3.1Å
378	G	70.4	Confident	77.1	Confident	8 Å²	8	66.1 Å²	66.1	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-53.9	-38.1	178.9	0	0	0	0	0	113.5	V374 D375 R380 I381 R382	V374-G378 PolarHBondContact O-N 2.94Å; D375-G378 PolarHBondContact O-N 2.75Å; G378-R380 VanDerWaalsContact C-N 3.29Å; G378-R380 PolarHBondContact O-N 2.94Å; G378-I381 PolarHBondContact O-N 3.22Å; G378-R382 WeakPolarHBondContact O-CB 3.1Å; G378-R382 PolarHBondContact O-N 3.13Å
379	N	75.2	Confident	77.9	Confident	120 Å²	120	58.6 Å²	58.6	64%	0.642	29%	0.288	S	S	*	.	H	α-helix	trans	-68.3	-26.4	177.5	-69	-13.1	0	0	0	113.3	V377 P383	V377-N379 PolarHBondContact O-N 3.45Å; N379-P383 WeakPolarHBondContact O-CD 3Å
380	R	77.6	Confident	78.6	Confident	43 Å²	43	60.3 Å²	60.3	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-87.9	-33.3	178.5	-64.6	-178	174.1	-133.8	-15.5	112.5	V377 G378 P383 E443 T453 K454 D456	V377-R380 PolarHBondContact O-N 2.79Å; G378-R380 VanDerWaalsContact C-N 3.29Å; G378-R380 PolarHBondContact O-N 2.94Å; R380-P383 WeakPolarHBondContact O-CD 3.26Å; R380-E443 WeakPolarHBondContact CD-OE1 3.41Å; R380-E443 IonicContact CZ-OE1 3.69Å; R380-E443 IonicContact NE-OE1 2.87Å; R380-E443 PolarHBondContact NE-OE1 3.07Å; R380-E443 IonicContact NH1-OE1 2.75Å; R380-E443 PolarHBondContact NH1-OE1 3.31Å; R380-T453 PolarHBondContact NH1-O 2.83Å; R380-T453 PolarHBondContact NH2-O 3.15Å; R380-K454 PolarHBondContact NH2-O 3.01Å; R380-D456 IonicContact CZ-OD1 2.78Å; R380-D456 IonicContact NE-OD1 2.92Å; R380-D456 PolarHBondContact NE-OD1 3.37Å; R380-D456 IonicContact NH2-OD1 3.67Å; R380-D456 PolarHBondContact NH2-OD1 3.31Å; R380-D456 IonicContact NH2-OD2 3.82Å
381	I	85.1	Confident	79.3	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-70.5	-37	175.6	-68.8	-178.3	0	0	0	110.6	V377 G378 W384 V385 V408 L436 L439 L440	V377-I381 HydrophobicContact CG1-CD1 3.42Å; V377-I381 VanDerWaalsContact CG1-CD1 3.42Å; V377-I381 HydrophobicContact CG1-CG1 3.69Å; V377-I381 PolarHBondContact O-N 2.87Å; G378-I381 PolarHBondContact O-N 3.22Å; I381-W384 PolarHBondContact O-N 2.89Å; I381-W384 VanDerWaalsContact O-N 3.08Å; I381-V385 HydrophobicContact CG2-CG2 3.47Å; I381-V385 VanDerWaalsContact CG2-CG2 3.47Å; I381-V385 WeakPolarHBondContact O-CG2 3.12Å; I381-V385 PolarHBondContact O-N 2.93Å; I381-V408 HydrophobicContact CD1-CG1 4.37Å; I381-L436 HydrophobicContact CG2-CD1 3.67Å; I381-L439 HydrophobicContact CG1-CD2 4.44Å; I381-L440 HydrophobicContact CD1-CB 4.32Å; I381-L440 HydrophobicContact CD1-CD1 3.47Å; I381-L440 VanDerWaalsContact CD1-CD1 3.47Å; I381-L440 HydrophobicContact CD1-CG 4.5Å
382	R	85.8	Confident	79.6	Confident	122 Å²	122	60.2 Å²	60.2	46%	0.46	30%	0.298	S	S	.	.	H	α-helix	trans	-55.2	-49.9	-175.9	-174.5	178.2	-167	-130.5	3.6	113.9	G378 W384 V385 G386 V401 D402	G378-R382 WeakPolarHBondContact O-CB 3.1Å; G378-R382 PolarHBondContact O-N 3.13Å; R382-W384 VanDerWaalsContact C-N 3.35Å; R382-W384 PolarHBondContact O-N 3.31Å; R382-V385 PolarHBondContact O-N 2.82Å; R382-G386 PolarHBondContact O-N 2.77Å; R382-V401 HydrophobicContact CG-CG1 3.84Å; R382-D402 IonicContact CZ-OD1 3.42Å; R382-D402 IonicContact NE-OD1 3.48Å; R382-D402 PolarHBondContact NE-OD1 3.42Å; R382-D402 IonicContact NH2-OD1 2.76Å; R382-D402 PolarHBondContact NH2-OD1 3.06Å; R382-D402 IonicContact NH2-OD2 2.77Å
383	P	88.3	Confident	79.9	Confident	90 Å²	90	56 Å²	56	58%	0.584	27%	0.274	S	S	*	.	H	α-helix	trans	-63.3	-36.7	174.9	-23	33.1	0	0	0	113.7	N379 R380 K387	N379-P383 WeakPolarHBondContact O-CD 3Å; R380-P383 WeakPolarHBondContact O-CD 3.26Å; P383-K387 WeakPolarHBondContact O-CB 3.44Å; P383-K387 PolarHBondContact O-N 2.76Å
384	W	88	Confident	80.1	Confident	60 Å²	60	53.3 Å²	53.3	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-43.3	177.9	179.7	91	0	0	0	111.6	I381 R382 K387 K388 F432 K435 L436 L439	I381-W384 PolarHBondContact O-N 2.89Å; I381-W384 VanDerWaalsContact O-N 3.08Å; R382-W384 VanDerWaalsContact C-N 3.35Å; R382-W384 PolarHBondContact O-N 3.31Å; W384-K387 PolarHBondContact O-N 2.84Å; W384-K388 HydrophobicContact CD2-CG 4.07Å; W384-K388 HydrophobicContact CE3-CG 4.31Å; W384-K388 HydrophobicContact CH2-CG 4Å; W384-K388 HydrophobicContact CZ2-CD 4.28Å; W384-K388 HydrophobicContact CZ2-CG 3.76Å; W384-K388 HydrophobicContact CZ3-CG 4.26Å; W384-K388 WeakPolarHBondContact O-CB 3.36Å; W384-K388 WeakPolarHBondContact O-CG 3.31Å; W384-K388 PolarHBondContact O-N 3.03Å; W384-F432 HydrophobicContact CH2-CD2 4.29Å; W384-F432 HydrophobicContact CH2-CE2 4.12Å; W384-F432 HydrophobicContact CZ3-CD2 4.36Å; W384-F432 AromaticContact CZ3-CE2 3.74Å; W384-F432 HydrophobicContact CZ3-CE2 3.74Å; W384-F432 HydrophobicContact CZ3-CZ 4.22Å; W384-K435 HydrophobicContact CH2-CB 3.77Å; W384-K435 HydrophobicContact CZ2-CB 3.77Å; W384-L436 HydrophobicContact CE3-CD1 4.17Å; W384-L436 HydrophobicContact CH2-CB 4.09Å; W384-L436 HydrophobicContact CZ3-CB 3.84Å; W384-L436 HydrophobicContact CZ3-CD1 3.73Å; W384-L436 HydrophobicContact CZ3-CG 4.4Å; W384-L439 HydrophobicContact CB-CD2 3.89Å; W384-L439 HydrophobicContact CD2-CD2 3.42Å; W384-L439 VanDerWaalsContact CD2-CD2 3.42Å; W384-L439 HydrophobicContact CE3-CD2 3.76Å; W384-L439 HydrophobicContact CG-CD2 3.46Å; W384-L439 VanDerWaalsContact CG-CD2 3.46Å; W384-L439 HydrophobicContact CZ3-CD2 4.5Å
385	V	89.3	Confident	80.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-48.7	174.9	173.1	0	0	0	0	109.7	I381 R382 K387 K388 I389 V401 I404 F432 L436	I381-V385 HydrophobicContact CG2-CG2 3.47Å; I381-V385 VanDerWaalsContact CG2-CG2 3.47Å; I381-V385 WeakPolarHBondContact O-CG2 3.12Å; I381-V385 PolarHBondContact O-N 2.93Å; R382-V385 PolarHBondContact O-N 2.82Å; V385-K387 VanDerWaalsContact C-N 3.32Å; V385-K387 PolarHBondContact O-N 2.82Å; V385-K388 PolarHBondContact O-N 3.34Å; V385-I389 HydrophobicContact CG1-CG1 4.05Å; V385-I389 WeakPolarHBondContact O-CG1 3.27Å; V385-I389 PolarHBondContact O-N 3.38Å; V385-V401 HydrophobicContact CB-CG1 4.42Å; V385-V401 HydrophobicContact CG1-CB 4.36Å; V385-V401 HydrophobicContact CG1-CG1 4.12Å; V385-V401 HydrophobicContact CG1-CG2 4.24Å; V385-I404 HydrophobicContact CG1-CB 4.13Å; V385-I404 HydrophobicContact CG1-CD1 3.73Å; V385-I404 HydrophobicContact CG1-CG2 4.07Å; V385-I404 HydrophobicContact CG2-CG2 4.11Å; V385-F432 HydrophobicContact CG1-CZ 4.13Å; V385-F432 HydrophobicContact CG2-CZ 4.26Å; V385-L436 HydrophobicContact CG2-CD1 3.95Å
386	G	88.8	Confident	80.7	Confident	8 Å²	8	57.7 Å²	57.7	8%	0.082	30%	0.297	C	S	.	.	H	α-helix	trans	-53.7	-47.9	175.7	0	0	0	0	0	112.4	R382 K388 I389 V390	R382-G386 PolarHBondContact O-N 2.77Å; G386-K388 VanDerWaalsContact C-N 3.32Å; G386-K388 PolarHBondContact O-N 2.7Å; G386-I389 PolarHBondContact O-N 2.96Å; G386-V390 VanDerWaalsContact O-CG2 3.28Å; G386-V390 WeakPolarHBondContact O-CG2 3.38Å; G386-V390 PolarHBondContact O-N 3.34Å
387	K	88.7	Confident	81.2	Confident	157 Å²	157	55.8 Å²	55.8	68%	0.683	28%	0.282	S	S	*	.	H	α-helix	trans	-61.9	-38.2	176.6	-170.1	172.7	-175.1	172.5	0	113	P383 W384 V385 E391	P383-K387 WeakPolarHBondContact O-CB 3.44Å; P383-K387 PolarHBondContact O-N 2.76Å; W384-K387 PolarHBondContact O-N 2.84Å; V385-K387 VanDerWaalsContact C-N 3.32Å; V385-K387 PolarHBondContact O-N 2.82Å; K387-E391 WeakPolarHBondContact O-CB 3.33Å; K387-E391 PolarHBondContact O-N 3.29Å
388	K	87.7	Confident	82	Confident	32 Å²	32	59.1 Å²	59.1	14%	0.139	30%	0.303	C	S	.	.	H	α-helix	trans	-73.5	-38	178.5	-75.3	-69.5	164.2	-152.5	0	112.8	W384 V385 G386 V390 E391 Y392 F432	W384-K388 HydrophobicContact CD2-CG 4.07Å; W384-K388 HydrophobicContact CE3-CG 4.31Å; W384-K388 HydrophobicContact CH2-CG 4Å; W384-K388 HydrophobicContact CZ2-CD 4.28Å; W384-K388 HydrophobicContact CZ2-CG 3.76Å; W384-K388 HydrophobicContact CZ3-CG 4.26Å; W384-K388 WeakPolarHBondContact O-CB 3.36Å; W384-K388 WeakPolarHBondContact O-CG 3.31Å; W384-K388 PolarHBondContact O-N 3.03Å; V385-K388 PolarHBondContact O-N 3.34Å; G386-K388 VanDerWaalsContact C-N 3.32Å; G386-K388 PolarHBondContact O-N 2.7Å; K388-V390 VanDerWaalsContact C-N 3.32Å; K388-E391 IonicContact NZ-OE1 3.87Å; K388-E391 PolarHBondContact NZ-OE1 3.27Å; K388-E391 IonicContact NZ-OE2 2.68Å; K388-E391 PolarHBondContact NZ-OE2 2.87Å; K388-E391 WeakPolarHBondContact O-CB 3.43Å; K388-E391 PolarHBondContact O-N 3.05Å; K388-E391 VanDerWaalsContact O-N 3.16Å; K388-Y392 HydrophobicContact CB-CD2 4.41Å; K388-Y392 HydrophobicContact CB-CE2 4.22Å; K388-Y392 HydrophobicContact CD-CE2 4.07Å; K388-Y392 WeakPolarHBondContact O-CD2 3.39Å; K388-Y392 PolarHBondContact O-N 2.77Å; K388-F432 HydrophobicContact CB-CD2 3.98Å; K388-F432 HydrophobicContact CB-CE2 3.7Å; K388-F432 HydrophobicContact CG-CE2 4.42Å
389	I	86.3	Confident	82.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-43.5	173	-67.5	-47.5	0	0	0	110.3	V385 G386 E391 Y392 I393 E397 L400 V401 I404 L425	V385-I389 HydrophobicContact CG1-CG1 4.05Å; V385-I389 WeakPolarHBondContact O-CG1 3.27Å; V385-I389 PolarHBondContact O-N 3.38Å; G386-I389 PolarHBondContact O-N 2.96Å; I389-E391 VanDerWaalsContact C-N 3.31Å; I389-E391 PolarHBondContact O-N 2.89Å; I389-Y392 PolarHBondContact O-N 2.87Å; I389-I393 HydrophobicContact CG2-CD1 3.93Å; I389-I393 HydrophobicContact CG2-CG1 4.44Å; I389-I393 WeakPolarHBondContact O-CB 3.48Å; I389-I393 PolarHBondContact O-N 3.25Å; I389-E397 HydrophobicContact CG2-CB 4.05Å; I389-L400 HydrophobicContact CD1-CD2 3.58Å; I389-L400 HydrophobicContact CD1-CG 4.17Å; I389-L400 HydrophobicContact CG1-CD2 4.19Å; I389-L400 HydrophobicContact CG2-CD2 4.18Å; I389-V401 HydrophobicContact CB-CG2 4.34Å; I389-V401 HydrophobicContact CG1-CG2 4.11Å; I389-I404 HydrophobicContact CD1-CD1 3.95Å; I389-I404 HydrophobicContact CG1-CD1 4.37Å; I389-L425 HydrophobicContact CD1-CD1 4.32Å
390	V	86	Confident	82.8	Confident	56 Å²	56	54.5 Å²	54.5	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-36.2	173.6	175.5	0	0	0	0	112	G386 K388 G394 E396	G386-V390 VanDerWaalsContact O-CG2 3.28Å; G386-V390 WeakPolarHBondContact O-CG2 3.38Å; G386-V390 PolarHBondContact O-N 3.34Å; K388-V390 VanDerWaalsContact C-N 3.32Å; V390-G394 CarbonylContact O-C 3.59Å; V390-G394 WeakPolarHBondContact O-CA 3.44Å; V390-G394 PolarHBondContact O-N 3.45Å; V390-E396 HydrophobicContact CG2-CB 3.73Å; V390-E396 HydrophobicContact CG2-CG 4.22Å
391	E	84.4	Confident	83.3	Confident	107 Å²	107	52.8 Å²	52.8	50%	0.5	27%	0.273	S	S	.	.	H	α-helix	trans	-67.5	-37.2	178.1	-176.2	176.6	131.2	0	0	113	K387 K388 I389	K387-E391 WeakPolarHBondContact O-CB 3.33Å; K387-E391 PolarHBondContact O-N 3.29Å; K388-E391 IonicContact NZ-OE1 3.87Å; K388-E391 PolarHBondContact NZ-OE1 3.27Å; K388-E391 IonicContact NZ-OE2 2.68Å; K388-E391 PolarHBondContact NZ-OE2 2.87Å; K388-E391 WeakPolarHBondContact O-CB 3.43Å; K388-E391 PolarHBondContact O-N 3.05Å; K388-E391 VanDerWaalsContact O-N 3.16Å; I389-E391 VanDerWaalsContact C-N 3.31Å; I389-E391 PolarHBondContact O-N 2.89Å
392	Y	80.8	Confident	83.4	Confident	36 Å²	36	56 Å²	56	14%	0.141	29%	0.289	C	S	.	.	H	α-helix	trans	-87.9	-39.6	-177.9	-65.7	-57.9	0	0	0	113.2	K388 I389 L425 E428 F432	K388-Y392 HydrophobicContact CB-CD2 4.41Å; K388-Y392 HydrophobicContact CB-CE2 4.22Å; K388-Y392 HydrophobicContact CD-CE2 4.07Å; K388-Y392 WeakPolarHBondContact O-CD2 3.39Å; K388-Y392 PolarHBondContact O-N 2.77Å; I389-Y392 PolarHBondContact O-N 2.87Å; Y392-L425 HydrophobicContact CD2-CD1 4.1Å; Y392-L425 HydrophobicContact CG-CD1 4.4Å; Y392-E428 HydrophobicContact CD1-CB 4.13Å; Y392-E428 HydrophobicContact CD1-CG 4.36Å; Y392-E428 WeakPolarHBondContact CD1-OE2 3.41Å; Y392-E428 HydrophobicContact CE1-CB 4.12Å; Y392-E428 HydrophobicContact CE1-CG 4.42Å; Y392-F432 HydrophobicContact CD2-CD2 4.37Å; Y392-F432 HydrophobicContact CE2-CB 4.08Å; Y392-F432 AromaticContact CE2-CD2 3.89Å; Y392-F432 HydrophobicContact CE2-CD2 3.89Å; Y392-F432 HydrophobicContact CE2-CG 4.4Å
393	I	75.1	Confident	83.3	Confident	39 Å²	39	50.4 Å²	50.4	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-96.4	-23.2	-175.7	-54.8	-174.6	0	0	0	111.7	I389 E395 L400 V424 L425	I389-I393 HydrophobicContact CG2-CD1 3.93Å; I389-I393 HydrophobicContact CG2-CG1 4.44Å; I389-I393 WeakPolarHBondContact O-CB 3.48Å; I389-I393 PolarHBondContact O-N 3.25Å; I393-E395 VanDerWaalsContact C-N 3.29Å; I393-L400 HydrophobicContact CD1-CD2 3.91Å; I393-V424 HydrophobicContact CD1-CG1 4.1Å; I393-L425 HydrophobicContact CD1-CD2 4.33Å; I393-L425 HydrophobicContact CG1-CD2 3.9Å
394	G	71.8	Confident	83.3	Confident	55 Å²	55	46.2 Å²	46.2	57%	0.567	24%	0.241	S	C	*	.	S	Bend	trans	89.1	-16.1	-174.3	0	0	0	0	0	114.2	V390	V390-G394 CarbonylContact O-C 3.59Å; V390-G394 WeakPolarHBondContact O-CA 3.44Å; V390-G394 PolarHBondContact O-N 3.45Å
395	E	72.5	Confident	83.3	Confident	84 Å²	84	44 Å²	44	39%	0.393	24%	0.235	S	C	.	.	S	Bend	trans	-135.5	153.2	-175.7	-68.8	171.7	105.2	0	0	112.3	K75 I393 E397	K75-E395 WeakPolarHBondContact CD-OE2 3.47Å; K75-E395 WeakPolarHBondContact CE-OE1 3.31Å; K75-E395 WeakPolarHBondContact CE-OE2 3.37Å; K75-E395 IonicContact NZ-OE1 2.97Å; K75-E395 PolarHBondContact NZ-OE1 3.39Å; K75-E395 VanDerWaalsContact NZ-OE1 3.14Å; K75-E395 IonicContact NZ-OE2 3.84Å; K75-E395 PolarHBondContact NZ-OE2 2.95Å; I393-E395 VanDerWaalsContact C-N 3.29Å; E395-E397 PolarHBondContact O-N 3.34Å; E395-E397 VanDerWaalsContact O-N 3.16Å
396	E	77.5	Confident	83.1	Confident	137 Å²	137	47 Å²	47	64%	0.64	25%	0.249	S	C	*	.			trans	-81.2	96.3	-176.9	-171	177.4	178.6	0	0	111.3	V390 V398	V390-E396 HydrophobicContact CG2-CB 3.73Å; V390-E396 HydrophobicContact CG2-CG 4.22Å; E396-V398 HydrophobicContact CG-CG2 4.35Å; E396-V398 PolarHBondContact O-N 3.29Å
397	E	77.4	Confident	82.9	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.07	25%	0.248	C	C	.	.			trans	-88.1	86.5	173.8	-71.2	-60.6	150.8	0	0	111.7	F5 K75 I389 E395 S399 L400 V401	F5-E397 HydrophobicContact CE1-CG 4Å; F5-E397 VanDerWaalsContact CE1-OE2 3.3Å; F5-E397 WeakPolarHBondContact CE1-OE2 3.39Å; F5-E397 HydrophobicContact CZ-CG 4.06Å; F5-E397 WeakPolarHBondContact CZ-OE2 3.27Å; K75-E397 WeakPolarHBondContact CD-OE1 3.31Å; K75-E397 WeakPolarHBondContact CE-OE1 3.5Å; K75-E397 IonicContact NZ-OE1 2.86Å; K75-E397 PolarHBondContact NZ-OE1 3.15Å; I389-E397 HydrophobicContact CG2-CB 4.05Å; E395-E397 PolarHBondContact O-N 3.34Å; E395-E397 VanDerWaalsContact O-N 3.16Å; E397-S399 PolarHBondContact O-N 3.13Å; E397-S399 VanDerWaalsContact O-N 3.17Å; E397-L400 HydrophobicContact CB-CB 4.09Å; E397-L400 PolarHBondContact O-N 3.36Å; E397-V401 WeakPolarHBondContact O-CG2 3.25Å; E397-V401 PolarHBondContact O-N 2.98Å; E397-V401 VanDerWaalsContact O-N 3.13Å
398	V	85	Confident	82.8	Confident	70 Å²	70	40.1 Å²	40.1	42%	0.424	22%	0.217	S	C	.	.	H	α-helix	trans	-54.4	-37.5	-179.1	-175.2	0	0	0	0	112.1	E396 L400 V401 D402	E396-V398 HydrophobicContact CG-CG2 4.35Å; E396-V398 PolarHBondContact O-N 3.29Å; V398-L400 VanDerWaalsContact C-N 3.34Å; V398-L400 PolarHBondContact O-N 2.89Å; V398-V401 PolarHBondContact O-N 3.33Å; V398-D402 WeakPolarHBondContact O-CB 3.36Å; V398-D402 PolarHBondContact O-N 3.06Å
399	S	80.5	Confident	82.7	Confident	29 Å²	29	44 Å²	44	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-37.9	-179.6	-58.2	0	0	0	0	112.6	F44 E397 F403	F44-S399 WeakPolarHBondContact CE1-O 3.27Å; E397-S399 PolarHBondContact O-N 3.13Å; E397-S399 VanDerWaalsContact O-N 3.17Å; S399-F403 WeakPolarHBondContact O-CB 3.27Å; S399-F403 PolarHBondContact O-N 3.39Å
400	L	83.2	Confident	82.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-73	-40.3	177.6	-176.7	63.2	0	0	0	110.8	F44 I389 I393 E397 V398 D402 F403 I404 V424	F44-L400 HydrophobicContact CE2-CD1 3.98Å; F44-L400 HydrophobicContact CZ-CD1 4.08Å; I389-L400 HydrophobicContact CD1-CD2 3.58Å; I389-L400 HydrophobicContact CD1-CG 4.17Å; I389-L400 HydrophobicContact CG1-CD2 4.19Å; I389-L400 HydrophobicContact CG2-CD2 4.18Å; I393-L400 HydrophobicContact CD1-CD2 3.91Å; E397-L400 HydrophobicContact CB-CB 4.09Å; E397-L400 PolarHBondContact O-N 3.36Å; V398-L400 VanDerWaalsContact C-N 3.34Å; V398-L400 PolarHBondContact O-N 2.89Å; L400-D402 VanDerWaalsContact C-N 3.34Å; L400-D402 PolarHBondContact O-N 2.65Å; L400-F403 HydrophobicContact CD1-CD1 4.45Å; L400-F403 PolarHBondContact O-N 2.96Å; L400-I404 HydrophobicContact CD1-CD1 4.35Å; L400-I404 HydrophobicContact CG-CD1 4.02Å; L400-I404 VanDerWaalsContact O-CG1 3.27Å; L400-I404 WeakPolarHBondContact O-CG1 3.39Å; L400-I404 PolarHBondContact O-N 2.89Å; L400-V424 HydrophobicContact CD1-CG2 4.38Å; L400-V424 HydrophobicContact CD2-CG1 3.9Å
401	V	87.7	Confident	82.4	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-47.6	174.7	177.4	0	0	0	0	110.6	R382 V385 I389 E397 V398 I404 C405	R382-V401 HydrophobicContact CG-CG1 3.84Å; V385-V401 HydrophobicContact CB-CG1 4.42Å; V385-V401 HydrophobicContact CG1-CB 4.36Å; V385-V401 HydrophobicContact CG1-CG1 4.12Å; V385-V401 HydrophobicContact CG1-CG2 4.24Å; I389-V401 HydrophobicContact CB-CG2 4.34Å; I389-V401 HydrophobicContact CG1-CG2 4.11Å; E397-V401 WeakPolarHBondContact O-CG2 3.25Å; E397-V401 PolarHBondContact O-N 2.98Å; E397-V401 VanDerWaalsContact O-N 3.13Å; V398-V401 PolarHBondContact O-N 3.33Å; V401-I404 PolarHBondContact O-N 3.04Å; V401-C405 WeakPolarHBondContact O-CB 3.32Å; V401-C405 PolarHBondContact O-N 3.45Å; V401-C405 PolarHBondContact O-SG 3.14Å
402	D	86.3	Confident	82.3	Confident	69 Å²	69	46.3 Å²	46.3	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-37.7	179.6	-71.8	-18.9	0	0	0	111.5	R382 V398 L400 C405 Q406	R382-D402 IonicContact CZ-OD1 3.42Å; R382-D402 IonicContact NE-OD1 3.48Å; R382-D402 PolarHBondContact NE-OD1 3.42Å; R382-D402 IonicContact NH2-OD1 2.76Å; R382-D402 PolarHBondContact NH2-OD1 3.06Å; R382-D402 IonicContact NH2-OD2 2.77Å; V398-D402 WeakPolarHBondContact O-CB 3.36Å; V398-D402 PolarHBondContact O-N 3.06Å; L400-D402 VanDerWaalsContact C-N 3.34Å; L400-D402 PolarHBondContact O-N 2.65Å; D402-C405 PolarHBondContact O-N 3.22Å; D402-Q406 WeakPolarHBondContact O-CB 3.45Å; D402-Q406 PolarHBondContact O-N 2.92Å
403	F	85.1	Confident	82.5	Confident	6 Å²	6	52 Å²	52	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-46.1	173.7	175.2	-103.4	0	0	0	112.8	I34 Q42 F44 S399 L400 C405 Q406 K407 D420	I34-F403 HydrophobicContact CG2-CD2 3.9Å; I34-F403 HydrophobicContact CG2-CE1 4.24Å; I34-F403 HydrophobicContact CG2-CE2 3.38Å; I34-F403 HydrophobicContact CG2-CZ 3.57Å; Q42-F403 HydrophobicContact CG-CD2 4.18Å; F44-F403 HydrophobicContact CE1-CB 3.93Å; F44-F403 HydrophobicContact CE1-CG 4.35Å; F44-F403 HydrophobicContact CZ-CB 3.74Å; F44-F403 HydrophobicContact CZ-CD1 4.07Å; F44-F403 HydrophobicContact CZ-CD2 4.34Å; F44-F403 AromaticContact CZ-CG 3.8Å; F44-F403 HydrophobicContact CZ-CG 3.8Å; S399-F403 WeakPolarHBondContact O-CB 3.27Å; S399-F403 PolarHBondContact O-N 3.39Å; L400-F403 HydrophobicContact CD1-CD1 4.45Å; L400-F403 PolarHBondContact O-N 2.96Å; F403-C405 VanDerWaalsContact C-N 3.35Å; F403-C405 PolarHBondContact O-N 2.85Å; F403-Q406 WeakPolarHBondContact O-CB 3.49Å; F403-Q406 PolarHBondContact O-N 3.07Å; F403-K407 HydrophobicContact CE1-CG 4.16Å; F403-K407 HydrophobicContact CE2-CG 4.28Å; F403-K407 HydrophobicContact CZ-CD 4.34Å; F403-K407 HydrophobicContact CZ-CG 4Å; F403-K407 PolarHBondContact O-N 3.34Å; F403-D420 HydrophobicContact CE1-CB 4.15Å; F403-D420 HydrophobicContact CZ-CB 4.28Å
404	I	87.4	Confident	83.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-44.7	177.1	-66	165.2	0	0	0	109.9	V385 I389 L400 V401 Q406 K407 V408 I421 F432 L436	V385-I404 HydrophobicContact CG1-CB 4.13Å; V385-I404 HydrophobicContact CG1-CD1 3.73Å; V385-I404 HydrophobicContact CG1-CG2 4.07Å; V385-I404 HydrophobicContact CG2-CG2 4.11Å; I389-I404 HydrophobicContact CD1-CD1 3.95Å; I389-I404 HydrophobicContact CG1-CD1 4.37Å; L400-I404 HydrophobicContact CD1-CD1 4.35Å; L400-I404 HydrophobicContact CG-CD1 4.02Å; L400-I404 VanDerWaalsContact O-CG1 3.27Å; L400-I404 WeakPolarHBondContact O-CG1 3.39Å; L400-I404 PolarHBondContact O-N 2.89Å; V401-I404 PolarHBondContact O-N 3.04Å; I404-Q406 VanDerWaalsContact C-N 3.25Å; I404-Q406 PolarHBondContact O-N 2.87Å; I404-K407 PolarHBondContact O-N 3.45Å; I404-V408 WeakPolarHBondContact O-CG2 3.17Å; I404-V408 PolarHBondContact O-N 3.29Å; I404-I421 HydrophobicContact CD1-CD1 3.99Å; I404-I421 HydrophobicContact CG1-CD1 3.87Å; I404-I421 HydrophobicContact CG1-CG1 4.5Å; I404-F432 HydrophobicContact CD1-CE1 3.89Å; I404-F432 HydrophobicContact CD1-CZ 3.87Å; I404-F432 HydrophobicContact CG2-CE1 4.48Å; I404-F432 HydrophobicContact CG2-CZ 4.46Å; I404-L436 HydrophobicContact CG2-CD2 3.97Å
405	C	87	Confident	83.9	Confident	14 Å²	14	54 Å²	54	10%	0.095	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-37.8	175.6	-67.9	0	0	0	0	111.7	V401 D402 F403 K409	V401-C405 WeakPolarHBondContact O-CB 3.32Å; V401-C405 PolarHBondContact O-N 3.45Å; V401-C405 PolarHBondContact O-SG 3.14Å; D402-C405 PolarHBondContact O-N 3.22Å; F403-C405 VanDerWaalsContact C-N 3.35Å; F403-C405 PolarHBondContact O-N 2.85Å; C405-K409 VanDerWaalsContact O-CG 3.3Å; C405-K409 WeakPolarHBondContact O-CG 3.36Å; C405-K409 PolarHBondContact O-N 3.39Å
406	Q	85.6	Confident	84.6	Confident	62 Å²	62	54.2 Å²	54.2	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-43.7	176.8	-172.1	175.9	17.9	0	0	112.2	P37 Q42 D402 F403 I404 V408 K409 Q410	P37-Q406 HydrophobicContact CG-CG 4.31Å; Q42-Q406 VanDerWaalsContact NE2-OE1 3.13Å; D402-Q406 WeakPolarHBondContact O-CB 3.45Å; D402-Q406 PolarHBondContact O-N 2.92Å; F403-Q406 WeakPolarHBondContact O-CB 3.49Å; F403-Q406 PolarHBondContact O-N 3.07Å; I404-Q406 VanDerWaalsContact C-N 3.25Å; I404-Q406 PolarHBondContact O-N 2.87Å; Q406-V408 VanDerWaalsContact C-N 3.35Å; Q406-V408 PolarHBondContact O-N 3.19Å; Q406-K409 PolarHBondContact O-N 2.87Å; Q406-Q410 WeakPolarHBondContact O-CG 3.27Å; Q406-Q410 PolarHBondContact O-N 3.39Å
407	K	85.8	Confident	85.1	Confident	17 Å²	17	47.8 Å²	47.8	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-40.4	176.2	-75.7	-75.7	-165.9	165.2	0	112.3	F403 I404 Q410 K411 A412 E416 I417 D420	F403-K407 HydrophobicContact CE1-CG 4.16Å; F403-K407 HydrophobicContact CE2-CG 4.28Å; F403-K407 HydrophobicContact CZ-CD 4.34Å; F403-K407 HydrophobicContact CZ-CG 4Å; F403-K407 PolarHBondContact O-N 3.34Å; I404-K407 PolarHBondContact O-N 3.45Å; K407-Q410 PolarHBondContact O-N 3.5Å; K407-K411 PolarHBondContact O-N 3.05Å; K407-A412 HydrophobicContact CB-CB 4.34Å; K407-A412 HydrophobicContact CD-CB 4.03Å; K407-A412 WeakPolarHBondContact O-CB 3.47Å; K407-A412 PolarHBondContact O-N 3.2Å; K407-E416 IonicContact NZ-OE1 3.19Å; K407-E416 PolarHBondContact NZ-OE1 3.13Å; K407-I417 HydrophobicContact CB-CD1 4.18Å; K407-I417 HydrophobicContact CB-CG1 4.06Å; K407-D420 WeakPolarHBondContact CE-OD2 3.4Å; K407-D420 IonicContact NZ-OD2 2.81Å; K407-D420 PolarHBondContact NZ-OD2 2.98Å
408	V	86.8	Confident	85.6	Confident	4 Å²	4	48 Å²	48	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-42.8	175.6	174.4	0	0	0	0	111.1	W371 V374 I381 I404 Q406 Q410 K411 L436 L440	W371-V408 WeakPolarHBondContact CZ3-O 3.48Å; V374-V408 HydrophobicContact CG1-CG1 4.03Å; I381-V408 HydrophobicContact CD1-CG1 4.37Å; I404-V408 WeakPolarHBondContact O-CG2 3.17Å; I404-V408 PolarHBondContact O-N 3.29Å; Q406-V408 VanDerWaalsContact C-N 3.35Å; Q406-V408 PolarHBondContact O-N 3.19Å; V408-Q410 PolarHBondContact O-N 2.8Å; V408-K411 PolarHBondContact O-N 3.33Å; V408-L436 HydrophobicContact CG2-CD2 4.36Å; V408-L440 HydrophobicContact CG1-CD1 3.94Å; V408-L440 HydrophobicContact CG1-CD2 4.49Å
409	K	84	Confident	85.7	Confident	114 Å²	114	48.6 Å²	48.6	50%	0.496	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-31.4	175.6	-76.5	176.5	179.5	-174.9	0	113	C405 Q406 K411	C405-K409 VanDerWaalsContact O-CG 3.3Å; C405-K409 WeakPolarHBondContact O-CG 3.36Å; C405-K409 PolarHBondContact O-N 3.39Å; Q406-K409 PolarHBondContact O-N 2.87Å; K409-K411 VanDerWaalsContact C-N 3.28Å; K409-K411 PolarHBondContact O-N 2.92Å
410	Q	83.2	Confident	85.9	Confident	91 Å²	91	48.5 Å²	48.5	43%	0.425	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3	-178.2	-73.6	177.6	0.6	0	0	114.8	P37 Q406 K407 V408 A412	P37-Q410 VanDerWaalsContact CB-CD 3.43Å; Q406-Q410 WeakPolarHBondContact O-CG 3.27Å; Q406-Q410 PolarHBondContact O-N 3.39Å; K407-Q410 PolarHBondContact O-N 3.5Å; V408-Q410 PolarHBondContact O-N 2.8Å; Q410-A412 PolarHBondContact O-N 3.24Å
411	K	83	Confident	86	Confident	110 Å²	110	48.5 Å²	48.5	48%	0.478	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	32.4	179.3	-40.4	-176.6	179.1	-167.5	0	112	W371 K407 V408 K409	W371-K411 HydrophobicContact CB-CD 3.6Å; W371-K411 HydrophobicContact CB-CG 4.13Å; W371-K411 HydrophobicContact CD2-CB 3.63Å; W371-K411 HydrophobicContact CD2-CD 3.83Å; W371-K411 HydrophobicContact CD2-CG 3.51Å; W371-K411 HydrophobicContact CE3-CB 3.79Å; W371-K411 HydrophobicContact CE3-CD 4.3Å; W371-K411 HydrophobicContact CE3-CG 3.55Å; W371-K411 HydrophobicContact CG-CB 4.18Å; W371-K411 HydrophobicContact CG-CD 3.48Å; W371-K411 VanDerWaalsContact CG-CD 3.48Å; W371-K411 HydrophobicContact CG-CG 3.76Å; W371-K411 HydrophobicContact CH2-CB 4.14Å; W371-K411 HydrophobicContact CZ2-CB 3.95Å; W371-K411 HydrophobicContact CZ3-CB 4.06Å; W371-K411 HydrophobicContact CZ3-CG 4.23Å; K407-K411 PolarHBondContact O-N 3.05Å; V408-K411 PolarHBondContact O-N 3.33Å; K409-K411 VanDerWaalsContact C-N 3.28Å; K409-K411 PolarHBondContact O-N 2.92Å
412	A	82.3	Confident	85.8	Confident	10 Å²	10	50 Å²	50	8%	0.083	24%	0.242	C	C	.	.			trans	-62.5	148.6	177.3	0	0	0	0	0	110.6	K407 Q410 I417	K407-A412 HydrophobicContact CB-CB 4.34Å; K407-A412 HydrophobicContact CD-CB 4.03Å; K407-A412 WeakPolarHBondContact O-CB 3.47Å; K407-A412 PolarHBondContact O-N 3.2Å; Q410-A412 PolarHBondContact O-N 3.24Å; A412-I417 HydrophobicContact CB-CD1 4.34Å; A412-I417 HydrophobicContact CB-CG1 4.16Å
413	K	86.3	Confident	85.3	Confident	157 Å²	157	48.6 Å²	48.6	68%	0.683	23%	0.234	S	C	*	.			trans	-65.1	145.2	178.3	-70.1	-179.6	-179.6	177.7	0	109.9	Q415 E416 I417	K413-Q415 PolarHBondContact O-N 2.8Å; K413-E416 HydrophobicContact CB-CB 4.41Å; K413-E416 WeakPolarHBondContact O-CB 2.99Å; K413-E416 PolarHBondContact O-N 2.97Å; K413-E416 VanDerWaalsContact O-N 3.08Å; K413-I417 PolarHBondContact O-N 3.35Å
414	P	87.2	Confident	84.8	Confident	12 Å²	12	48.5 Å²	48.5	8%	0.078	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-31.4	-179.7	22.8	-31.1	0	0	0	112.4	F365 I417 L418 V433 W437	F365-P414 HydrophobicContact CB-CG 3.7Å; F365-P414 HydrophobicContact CD1-CB 3.58Å; F365-P414 HydrophobicContact CD1-CG 3.72Å; F365-P414 HydrophobicContact CD2-CB 4.18Å; F365-P414 HydrophobicContact CD2-CG 4.04Å; F365-P414 HydrophobicContact CE1-CB 3.71Å; F365-P414 HydrophobicContact CE1-CG 4.34Å; F365-P414 HydrophobicContact CE2-CB 4.27Å; F365-P414 HydrophobicContact CG-CB 3.85Å; F365-P414 HydrophobicContact CG-CG 3.55Å; F365-P414 HydrophobicContact CZ-CB 4.05Å; P414-I417 PolarHBondContact O-N 2.93Å; P414-L418 WeakPolarHBondContact O-CB 3.48Å; P414-L418 PolarHBondContact O-N 3.33Å; P414-V433 HydrophobicContact CB-CG1 4.49Å; P414-W437 HydrophobicContact CB-CD2 3.83Å; P414-W437 HydrophobicContact CB-CE3 3.88Å; P414-W437 HydrophobicContact CB-CH2 3.87Å; P414-W437 HydrophobicContact CB-CZ2 3.82Å; P414-W437 HydrophobicContact CB-CZ3 3.9Å; P414-W437 HydrophobicContact CG-CD2 4.44Å; P414-W437 HydrophobicContact CG-CH2 4.11Å; P414-W437 HydrophobicContact CG-CZ2 3.71Å
415	Q	88.4	Confident	84.1	Confident	124 Å²	124	48.8 Å²	48.8	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-68.3	-38.5	176.3	-170.1	165	-6.7	0	0	112.6	K413 I417 L418 D419	K413-Q415 PolarHBondContact O-N 2.8Å; Q415-I417 VanDerWaalsContact C-N 3.34Å; Q415-I417 PolarHBondContact O-N 2.98Å; Q415-L418 WeakPolarHBondContact O-CB 3.49Å; Q415-L418 PolarHBondContact O-N 3.32Å; Q415-D419 PolarHBondContact O-N 3.35Å
416	E	87	Confident	83.5	Confident	87 Å²	87	51.9 Å²	51.9	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-65.4	-40.1	175.9	-170.2	-167.9	147.1	0	0	111.3	K407 K413 L418 D419 D420	K407-E416 IonicContact NZ-OE1 3.19Å; K407-E416 PolarHBondContact NZ-OE1 3.13Å; K413-E416 HydrophobicContact CB-CB 4.41Å; K413-E416 WeakPolarHBondContact O-CB 2.99Å; K413-E416 PolarHBondContact O-N 2.97Å; K413-E416 VanDerWaalsContact O-N 3.08Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-D419 PolarHBondContact O-N 3.38Å; E416-D420 PolarHBondContact O-N 3.22Å
417	I	87.3	Confident	83.2	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-40.9	173.8	-62.1	176.4	0	0	0	110.3	K407 A412 K413 P414 Q415 D420 I421 V433 W437	K407-I417 HydrophobicContact CB-CD1 4.18Å; K407-I417 HydrophobicContact CB-CG1 4.06Å; A412-I417 HydrophobicContact CB-CD1 4.34Å; A412-I417 HydrophobicContact CB-CG1 4.16Å; K413-I417 PolarHBondContact O-N 3.35Å; P414-I417 PolarHBondContact O-N 2.93Å; Q415-I417 VanDerWaalsContact C-N 3.34Å; Q415-I417 PolarHBondContact O-N 2.98Å; I417-D420 PolarHBondContact O-N 2.77Å; I417-I421 HydrophobicContact CG2-CD1 3.44Å; I417-I421 VanDerWaalsContact CG2-CD1 3.44Å; I417-I421 HydrophobicContact CG2-CG1 4.19Å; I417-I421 VanDerWaalsContact O-CB 3.28Å; I417-I421 WeakPolarHBondContact O-CB 3.39Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 2.8Å; I417-V433 HydrophobicContact CG2-CG2 4.06Å; I417-W437 HydrophobicContact CD1-CZ3 4.02Å
418	L	88.6	Confident	83	Confident	18 Å²	18	58.6 Å²	58.6	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-41.2	176.1	-173.8	150.2	0	0	0	111.9	F365 P414 Q415 E416 I421 S422 T430 V433	F365-L418 HydrophobicContact CE2-CD1 4.35Å; F365-L418 HydrophobicContact CZ-CD1 4.23Å; P414-L418 WeakPolarHBondContact O-CB 3.48Å; P414-L418 PolarHBondContact O-N 3.33Å; Q415-L418 WeakPolarHBondContact O-CB 3.49Å; Q415-L418 PolarHBondContact O-N 3.32Å; E416-L418 VanDerWaalsContact C-N 3.32Å; L418-I421 PolarHBondContact O-N 3.49Å; L418-S422 WeakPolarHBondContact O-CA 3.14Å; L418-S422 WeakPolarHBondContact O-CB 2.97Å; L418-S422 PolarHBondContact O-N 2.82Å; L418-S422 PolarHBondContact O-OG 3.25Å; L418-S422 VanDerWaalsContact O-OG 3.05Å; L418-T430 HydrophobicContact CD1-CG2 4.38Å; L418-V433 HydrophobicContact CB-CB 4.5Å; L418-V433 HydrophobicContact CB-CG1 4.4Å; L418-V433 HydrophobicContact CB-CG2 4.16Å
419	D	87.4	Confident	83	Confident	84 Å²	84	58.4 Å²	58.4	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-38.3	179.7	-66.1	-18.7	0	0	0	111.4	Q415 E416 S422	Q415-D419 PolarHBondContact O-N 3.35Å; E416-D419 PolarHBondContact O-N 3.38Å; D419-S422 PolarHBondContact O-OG 2.87Å
420	D	84.6	Confident	83.1	Confident	26 Å²	26	55.3 Å²	55.3	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-72.3	-37.7	176.1	-77.4	-25.7	0	0	0	112.4	K32 F403 K407 E416 I417	K32-D420 IonicContact NZ-OD1 3.6Å; F403-D420 HydrophobicContact CE1-CB 4.15Å; F403-D420 HydrophobicContact CZ-CB 4.28Å; K407-D420 WeakPolarHBondContact CE-OD2 3.4Å; K407-D420 IonicContact NZ-OD2 2.81Å; K407-D420 PolarHBondContact NZ-OD2 2.98Å; E416-D420 PolarHBondContact O-N 3.22Å; I417-D420 PolarHBondContact O-N 2.77Å
421	I	85.2	Confident	83.3	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-82	-27.8	-179.5	-63.1	177.4	0	0	0	112	I404 I417 L418 M423 V424 L425 A429 F432 V433	I404-I421 HydrophobicContact CD1-CD1 3.99Å; I404-I421 HydrophobicContact CG1-CD1 3.87Å; I404-I421 HydrophobicContact CG1-CG1 4.5Å; I417-I421 HydrophobicContact CG2-CD1 3.44Å; I417-I421 VanDerWaalsContact CG2-CD1 3.44Å; I417-I421 HydrophobicContact CG2-CG1 4.19Å; I417-I421 VanDerWaalsContact O-CB 3.28Å; I417-I421 WeakPolarHBondContact O-CB 3.39Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 2.8Å; L418-I421 PolarHBondContact O-N 3.49Å; I421-M423 PolarHBondContact O-N 3.26Å; I421-V424 WeakPolarHBondContact O-CA 3.49Å; I421-V424 WeakPolarHBondContact O-CB 3.48Å; I421-V424 PolarHBondContact O-N 3.04Å; I421-L425 HydrophobicContact CG2-CB 4.21Å; I421-L425 HydrophobicContact CG2-CD1 3.95Å; I421-L425 HydrophobicContact CG2-CG 4.26Å; I421-L425 PolarHBondContact O-N 2.72Å; I421-A429 HydrophobicContact CB-CB 4.4Å; I421-A429 HydrophobicContact CG2-CB 3.87Å; I421-F432 HydrophobicContact CD1-CD1 3.85Å; I421-F432 HydrophobicContact CD1-CE1 3.58Å; I421-F432 HydrophobicContact CG2-CD1 4.14Å; I421-V433 HydrophobicContact CD1-CG2 4.21Å
422	S	83.1	Confident	83.6	Confident	38 Å²	38	49 Å²	49	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-24.4	177.4	62.8	0	0	0	0	112.6	L418 D419 V424 D426 A429	L418-S422 WeakPolarHBondContact O-CA 3.14Å; L418-S422 WeakPolarHBondContact O-CB 2.97Å; L418-S422 PolarHBondContact O-N 2.82Å; L418-S422 PolarHBondContact O-OG 3.25Å; L418-S422 VanDerWaalsContact O-OG 3.05Å; D419-S422 PolarHBondContact O-OG 2.87Å; S422-V424 PolarHBondContact O-N 3.23Å; S422-D426 WeakPolarHBondContact O-CA 3.19Å; S422-D426 PolarHBondContact O-N 3.49Å; S422-D426 VanDerWaalsContact O-N 3.1Å; S422-A429 VanDerWaalsContact CA-CB 3.48Å
423	M	75.4	Confident	83.9	Confident	40 Å²	40	48.6 Å²	48.6	20%	0.197	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.2	170.8	-62.8	-166.7	64.4	0	0	114	K32 I421	K32-M423 HydrophobicContact CB-CE 3.92Å; K32-M423 HydrophobicContact CD-CE 3.52Å; K32-M423 HydrophobicContact CD-SD 3.31Å; K32-M423 WeakPolarHBondContact CD-SD 3.36Å; K32-M423 HydrophobicContact CG-CE 4.37Å; K32-M423 PolarHBondContact NZ-SD 3.35Å; I421-M423 PolarHBondContact O-N 3.26Å
424	V	74.7	Confident	84	Confident	4 Å²	4	42 Å²	42	2%	0.024	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-43.6	-177.2	-168	0	0	0	0	110.5	F46 I393 L400 I421 S422	F46-V424 HydrophobicContact CE1-CB 3.83Å; F46-V424 HydrophobicContact CE1-CG1 3.71Å; F46-V424 HydrophobicContact CE1-CG2 3.61Å; F46-V424 HydrophobicContact CE2-CG2 3.59Å; F46-V424 HydrophobicContact CZ-CB 3.78Å; F46-V424 HydrophobicContact CZ-CG1 3.74Å; F46-V424 HydrophobicContact CZ-CG2 3.06Å; I393-V424 HydrophobicContact CD1-CG1 4.1Å; L400-V424 HydrophobicContact CD1-CG2 4.38Å; L400-V424 HydrophobicContact CD2-CG1 3.9Å; I421-V424 WeakPolarHBondContact O-CA 3.49Å; I421-V424 WeakPolarHBondContact O-CB 3.48Å; I421-V424 PolarHBondContact O-N 3.04Å; S422-V424 PolarHBondContact O-N 3.23Å
425	L	73.1	Confident	84	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.042	23%	0.231	C	C	.	.	S	Bend	trans	-124.2	40.5	-168.6	-63.9	-179.6	0	0	0	110.4	I389 Y392 I393 I421 E427 E428 A429	I389-L425 HydrophobicContact CD1-CD1 4.32Å; Y392-L425 HydrophobicContact CD2-CD1 4.1Å; Y392-L425 HydrophobicContact CG-CD1 4.4Å; I393-L425 HydrophobicContact CD1-CD2 4.33Å; I393-L425 HydrophobicContact CG1-CD2 3.9Å; I421-L425 HydrophobicContact CG2-CB 4.21Å; I421-L425 HydrophobicContact CG2-CD1 3.95Å; I421-L425 HydrophobicContact CG2-CG 4.26Å; I421-L425 PolarHBondContact O-N 2.72Å; L425-E427 PolarHBondContact O-N 3.45Å; L425-E427 VanDerWaalsContact O-N 3.17Å; L425-E428 HydrophobicContact CB-CB 4.31Å; L425-E428 CarbonylContact O-C 3.58Å; L425-E428 WeakPolarHBondContact O-CA 3.31Å; L425-E428 PolarHBondContact O-N 3.39Å; L425-A429 HydrophobicContact CB-CB 3.99Å; L425-A429 WeakPolarHBondContact O-CB 3.49Å; L425-A429 PolarHBondContact O-N 2.84Å
426	D	75.4	Confident	83.9	Confident	79 Å²	79	39.2 Å²	39.2	42%	0.422	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	13.3	-104.2	177.1	-66.9	-18.9	0	0	0	115.5	S422	S422-D426 WeakPolarHBondContact O-CA 3.19Å; S422-D426 PolarHBondContact O-N 3.49Å; S422-D426 VanDerWaalsContact O-N 3.1Å
427	E	78.1	Confident	83.9	Confident	140 Å²	140	35.3 Å²	35.3	65%	0.654	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-29.5	179.7	-63.6	169.7	164.1	0	0	112.6	K79 L425 A429	K79-E427 IonicContact NZ-OE2 2.77Å; K79-E427 PolarHBondContact NZ-OE2 3.22Å; L425-E427 PolarHBondContact O-N 3.45Å; L425-E427 VanDerWaalsContact O-N 3.17Å; E427-A429 VanDerWaalsContact C-N 3.28Å; E427-A429 PolarHBondContact O-N 3.33Å
428	E	81.9	Confident	83.6	Confident	79 Å²	79	39.6 Å²	39.6	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-72.6	-23	-176.6	-61.3	-171	151.1	0	0	112.4	Y392 L425 T430 V431 F432	Y392-E428 HydrophobicContact CD1-CB 4.13Å; Y392-E428 HydrophobicContact CD1-CG 4.36Å; Y392-E428 WeakPolarHBondContact CD1-OE2 3.41Å; Y392-E428 HydrophobicContact CE1-CB 4.12Å; Y392-E428 HydrophobicContact CE1-CG 4.42Å; L425-E428 HydrophobicContact CB-CB 4.31Å; L425-E428 CarbonylContact O-C 3.58Å; L425-E428 WeakPolarHBondContact O-CA 3.31Å; L425-E428 PolarHBondContact O-N 3.39Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 2.88Å; E428-V431 PolarHBondContact O-N 3.32Å; E428-V431 VanDerWaalsContact O-N 3.09Å; E428-F432 WeakPolarHBondContact O-CB 3.24Å; E428-F432 PolarHBondContact O-N 3.33Å
429	A	86.9	Confident	83.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-39.9	178.6	0	0	0	0	0	111.1	I421 S422 L425 E427 V431 F432 V433	I421-A429 HydrophobicContact CB-CB 4.4Å; I421-A429 HydrophobicContact CG2-CB 3.87Å; S422-A429 VanDerWaalsContact CA-CB 3.48Å; L425-A429 HydrophobicContact CB-CB 3.99Å; L425-A429 WeakPolarHBondContact O-CB 3.49Å; L425-A429 PolarHBondContact O-N 2.84Å; E427-A429 VanDerWaalsContact C-N 3.28Å; E427-A429 PolarHBondContact O-N 3.33Å; A429-V431 VanDerWaalsContact C-N 3.35Å; A429-V431 PolarHBondContact O-N 3.49Å; A429-F432 PolarHBondContact O-N 3.39Å; A429-V433 WeakPolarHBondContact O-CB 3.38Å; A429-V433 VanDerWaalsContact O-CG2 3.32Å; A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 3.22Å
430	T	86.5	Confident	83.3	Confident	50 Å²	50	36.7 Å²	36.7	31%	0.307	19%	0.185	S	C	.	.	H	α-helix	trans	-62.6	-45	176.8	-64.4	0	0	0	0	110.7	K361 L418 E428 V434	K361-T430 HydrophobicContact CD-CG2 4.17Å; L418-T430 HydrophobicContact CD1-CG2 4.38Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 2.88Å; T430-V434 WeakPolarHBondContact O-CB 3.29Å; T430-V434 WeakPolarHBondContact O-CG2 3.31Å; T430-V434 PolarHBondContact O-N 3.43Å
431	V	87.1	Confident	83.1	Confident	69 Å²	69	36.4 Å²	36.4	42%	0.418	18%	0.183	S	C	.	.	H	α-helix	trans	-66.7	-41	179	-178.9	0	0	0	0	110.7	E428 A429 K435	E428-V431 PolarHBondContact O-N 3.32Å; E428-V431 VanDerWaalsContact O-N 3.09Å; A429-V431 VanDerWaalsContact C-N 3.35Å; A429-V431 PolarHBondContact O-N 3.49Å; V431-K435 HydrophobicContact CG1-CD 4.1Å; V431-K435 WeakPolarHBondContact O-CB 3.38Å; V431-K435 VanDerWaalsContact O-CG 3.27Å; V431-K435 WeakPolarHBondContact O-CG 3.37Å; V431-K435 PolarHBondContact O-N 2.92Å
432	F	88.5	Confident	83	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-52	177.3	174.7	-101.4	0	0	0	111.6	W384 V385 K388 Y392 I404 I421 E428 A429 V434 K435 L436	W384-F432 HydrophobicContact CH2-CD2 4.29Å; W384-F432 HydrophobicContact CH2-CE2 4.12Å; W384-F432 HydrophobicContact CZ3-CD2 4.36Å; W384-F432 AromaticContact CZ3-CE2 3.74Å; W384-F432 HydrophobicContact CZ3-CE2 3.74Å; W384-F432 HydrophobicContact CZ3-CZ 4.22Å; V385-F432 HydrophobicContact CG1-CZ 4.13Å; V385-F432 HydrophobicContact CG2-CZ 4.26Å; K388-F432 HydrophobicContact CB-CD2 3.98Å; K388-F432 HydrophobicContact CB-CE2 3.7Å; K388-F432 HydrophobicContact CG-CE2 4.42Å; Y392-F432 HydrophobicContact CD2-CD2 4.37Å; Y392-F432 HydrophobicContact CE2-CB 4.08Å; Y392-F432 AromaticContact CE2-CD2 3.89Å; Y392-F432 HydrophobicContact CE2-CD2 3.89Å; Y392-F432 HydrophobicContact CE2-CG 4.4Å; I404-F432 HydrophobicContact CD1-CE1 3.89Å; I404-F432 HydrophobicContact CD1-CZ 3.87Å; I404-F432 HydrophobicContact CG2-CE1 4.48Å; I404-F432 HydrophobicContact CG2-CZ 4.46Å; I421-F432 HydrophobicContact CD1-CD1 3.85Å; I421-F432 HydrophobicContact CD1-CE1 3.58Å; I421-F432 HydrophobicContact CG2-CD1 4.14Å; E428-F432 WeakPolarHBondContact O-CB 3.24Å; E428-F432 PolarHBondContact O-N 3.33Å; A429-F432 PolarHBondContact O-N 3.39Å; F432-V434 PolarHBondContact O-N 3.37Å; F432-K435 PolarHBondContact O-N 2.94Å; F432-L436 HydrophobicContact CE1-CD2 4.1Å; F432-L436 HydrophobicContact CZ-CD2 4.44Å; F432-L436 WeakPolarHBondContact O-CB 3.45Å; F432-L436 PolarHBondContact O-N 2.89Å
433	V	89	Confident	82.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-40.3	-178.3	175.3	0	0	0	0	111.5	F365 P414 I417 L418 I421 A429 K435 L436 W437	F365-V433 HydrophobicContact CE1-CG1 4.13Å; F365-V433 HydrophobicContact CZ-CG1 3.93Å; P414-V433 HydrophobicContact CB-CG1 4.49Å; I417-V433 HydrophobicContact CG2-CG2 4.06Å; L418-V433 HydrophobicContact CB-CB 4.5Å; L418-V433 HydrophobicContact CB-CG1 4.4Å; L418-V433 HydrophobicContact CB-CG2 4.16Å; I421-V433 HydrophobicContact CD1-CG2 4.21Å; A429-V433 WeakPolarHBondContact O-CB 3.38Å; A429-V433 VanDerWaalsContact O-CG2 3.32Å; A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 3.22Å; V433-K435 VanDerWaalsContact C-N 3.35Å; V433-K435 PolarHBondContact O-N 3.24Å; V433-L436 PolarHBondContact O-N 3.47Å; V433-W437 WeakPolarHBondContact O-CB 3.29Å; V433-W437 PolarHBondContact O-N 2.89Å
434	V	87.6	Confident	83.1	Confident	18 Å²	18	35.9 Å²	35.9	11%	0.109	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-45.6	174.3	167.3	0	0	0	0	110.9	K361 L364 T430 F432 W437 R438	K361-V434 HydrophobicContact CG-CG2 4.22Å; L364-V434 HydrophobicContact CD2-CB 4.31Å; L364-V434 HydrophobicContact CD2-CG1 3.85Å; L364-V434 HydrophobicContact CD2-CG2 4.46Å; T430-V434 WeakPolarHBondContact O-CB 3.29Å; T430-V434 WeakPolarHBondContact O-CG2 3.31Å; T430-V434 PolarHBondContact O-N 3.43Å; F432-V434 PolarHBondContact O-N 3.37Å; V434-W437 PolarHBondContact O-N 2.95Å; V434-R438 WeakPolarHBondContact O-CB 3.38Å; V434-R438 VanDerWaalsContact O-CG 3.26Å; V434-R438 WeakPolarHBondContact O-CG 3.26Å; V434-R438 PolarHBondContact O-N 3.04Å
435	K	87.3	Confident	83.3	Confident	78 Å²	78	37.3 Å²	37.3	34%	0.339	18%	0.181	S	C	.	.	H	α-helix	trans	-66.1	-41	177.2	-72.7	174.1	-177.5	171	0	112	W384 V431 F432 V433 R438 L439	W384-K435 HydrophobicContact CH2-CB 3.77Å; W384-K435 HydrophobicContact CZ2-CB 3.77Å; V431-K435 HydrophobicContact CG1-CD 4.1Å; V431-K435 WeakPolarHBondContact O-CB 3.38Å; V431-K435 VanDerWaalsContact O-CG 3.27Å; V431-K435 WeakPolarHBondContact O-CG 3.37Å; V431-K435 PolarHBondContact O-N 2.92Å; F432-K435 PolarHBondContact O-N 2.94Å; V433-K435 VanDerWaalsContact C-N 3.35Å; V433-K435 PolarHBondContact O-N 3.24Å; K435-R438 PolarHBondContact O-N 3.43Å; K435-L439 WeakPolarHBondContact O-CB 3.47Å; K435-L439 PolarHBondContact O-N 2.94Å
436	L	86.9	Confident	83.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-46.5	177	176.5	65.7	0	0	0	110.7	I381 W384 V385 I404 V408 F432 V433 L439 L440	I381-L436 HydrophobicContact CG2-CD1 3.67Å; W384-L436 HydrophobicContact CE3-CD1 4.17Å; W384-L436 HydrophobicContact CH2-CB 4.09Å; W384-L436 HydrophobicContact CZ3-CB 3.84Å; W384-L436 HydrophobicContact CZ3-CD1 3.73Å; W384-L436 HydrophobicContact CZ3-CG 4.4Å; V385-L436 HydrophobicContact CG2-CD1 3.95Å; I404-L436 HydrophobicContact CG2-CD2 3.97Å; V408-L436 HydrophobicContact CG2-CD2 4.36Å; F432-L436 HydrophobicContact CE1-CD2 4.1Å; F432-L436 HydrophobicContact CZ-CD2 4.44Å; F432-L436 WeakPolarHBondContact O-CB 3.45Å; F432-L436 PolarHBondContact O-N 2.89Å; V433-L436 PolarHBondContact O-N 3.47Å; L436-L439 WeakPolarHBondContact O-CB 3.38Å; L436-L439 PolarHBondContact O-N 3.27Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 PolarHBondContact O-N 2.94Å
437	W	87	Confident	83.6	Confident	5 Å²	5	34.7 Å²	34.7	2%	0.019	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-39.6	-179.6	-143.3	-106	0	0	0	112.2	L364 I369 W371 P414 I417 V433 V434 L439 L440 I441	L364-W437 HydrophobicContact CD2-CB 4.07Å; L364-W437 HydrophobicContact CG-CB 4.24Å; L364-W437 HydrophobicContact CG-CG 4.42Å; L364-W437 PolarHBondContact O-NE1 3.43Å; I369-W437 HydrophobicContact CD1-CD2 4.13Å; I369-W437 HydrophobicContact CD1-CH2 4.26Å; I369-W437 HydrophobicContact CD1-CZ2 3.39Å; I369-W437 VanDerWaalsContact CD1-NE1 3.28Å; W371-W437 AromaticContact CH2-CH2 3.79Å; W371-W437 HydrophobicContact CH2-CH2 3.79Å; W371-W437 HydrophobicContact CH2-CZ2 4.35Å; W371-W437 HydrophobicContact CZ2-CH2 4.25Å; W371-W437 HydrophobicContact CZ2-CZ2 4.46Å; P414-W437 HydrophobicContact CB-CD2 3.83Å; P414-W437 HydrophobicContact CB-CE3 3.88Å; P414-W437 HydrophobicContact CB-CH2 3.87Å; P414-W437 HydrophobicContact CB-CZ2 3.82Å; P414-W437 HydrophobicContact CB-CZ3 3.9Å; P414-W437 HydrophobicContact CG-CD2 4.44Å; P414-W437 HydrophobicContact CG-CH2 4.11Å; P414-W437 HydrophobicContact CG-CZ2 3.71Å; I417-W437 HydrophobicContact CD1-CZ3 4.02Å; V433-W437 WeakPolarHBondContact O-CB 3.29Å; V433-W437 PolarHBondContact O-N 2.89Å; V434-W437 PolarHBondContact O-N 2.95Å; W437-L439 VanDerWaalsContact C-N 3.32Å; W437-L439 PolarHBondContact O-N 3.48Å; W437-L440 HydrophobicContact CD2-CD2 4.38Å; W437-L440 HydrophobicContact CE3-CD2 4.06Å; W437-L440 HydrophobicContact CH2-CD2 4.42Å; W437-L440 HydrophobicContact CZ3-CD2 4.08Å; W437-L440 PolarHBondContact O-N 2.96Å; W437-I441 WeakPolarHBondContact O-CG1 3.35Å; W437-I441 PolarHBondContact O-N 3.45Å
438	R	81.9	Confident	83.6	Confident	93 Å²	93	35.3 Å²	35.3	35%	0.351	16%	0.162	S	C	.	.	H	α-helix	trans	-60.3	-42.9	172	-73.5	177	178.8	170.3	3.7	111.9	I357 T359 L364 V434 K435 Y442	I357-R438 HydrophobicContact CG2-CB 4.46Å; I357-R438 HydrophobicContact CG2-CG 3.9Å; T359-R438 PolarHBondContact O-NH2 3.34Å; L364-R438 HydrophobicContact CD1-CG 3.86Å; L364-R438 HydrophobicContact CD2-CG 3.86Å; V434-R438 WeakPolarHBondContact O-CB 3.38Å; V434-R438 VanDerWaalsContact O-CG 3.26Å; V434-R438 WeakPolarHBondContact O-CG 3.26Å; V434-R438 PolarHBondContact O-N 3.04Å; K435-R438 PolarHBondContact O-N 3.43Å; R438-Y442 VanDerWaalsContact O-CB 3.3Å; R438-Y442 WeakPolarHBondContact O-CB 3.13Å; R438-Y442 PolarHBondContact O-N 3.3Å
439	L	84.6	Confident	83.1	Confident	41 Å²	41	34.4 Å²	34.4	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-43.2	176.3	-177.8	67.1	0	0	0	111.2	I381 W384 K435 L436 W437 Y442 E443	I381-L439 HydrophobicContact CG1-CD2 4.44Å; W384-L439 HydrophobicContact CB-CD2 3.89Å; W384-L439 HydrophobicContact CD2-CD2 3.42Å; W384-L439 VanDerWaalsContact CD2-CD2 3.42Å; W384-L439 HydrophobicContact CE3-CD2 3.76Å; W384-L439 HydrophobicContact CG-CD2 3.46Å; W384-L439 VanDerWaalsContact CG-CD2 3.46Å; W384-L439 HydrophobicContact CZ3-CD2 4.5Å; K435-L439 WeakPolarHBondContact O-CB 3.47Å; K435-L439 PolarHBondContact O-N 2.94Å; L436-L439 WeakPolarHBondContact O-CB 3.38Å; L436-L439 PolarHBondContact O-N 3.27Å; W437-L439 VanDerWaalsContact C-N 3.32Å; W437-L439 PolarHBondContact O-N 3.48Å; L439-Y442 PolarHBondContact O-N 2.81Å; L439-E443 WeakPolarHBondContact O-CB 3.07Å; L439-E443 PolarHBondContact O-N 3.21Å
440	L	84.3	Confident	82.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-49	177.8	-175.7	69.3	0	0	0	111	I369 W371 V374 V377 I381 V408 L436 W437 E443 I444	I369-L440 HydrophobicContact CD1-CD2 3.88Å; W371-L440 HydrophobicContact CH2-CD2 4.41Å; W371-L440 HydrophobicContact CZ3-CD2 4.34Å; V374-L440 HydrophobicContact CG2-CD1 4.45Å; V377-L440 HydrophobicContact CG1-CD1 4.07Å; I381-L440 HydrophobicContact CD1-CB 4.32Å; I381-L440 HydrophobicContact CD1-CD1 3.47Å; I381-L440 VanDerWaalsContact CD1-CD1 3.47Å; I381-L440 HydrophobicContact CD1-CG 4.5Å; V408-L440 HydrophobicContact CG1-CD1 3.94Å; V408-L440 HydrophobicContact CG1-CD2 4.49Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 PolarHBondContact O-N 2.94Å; W437-L440 HydrophobicContact CD2-CD2 4.38Å; W437-L440 HydrophobicContact CE3-CD2 4.06Å; W437-L440 HydrophobicContact CH2-CD2 4.42Å; W437-L440 HydrophobicContact CZ3-CD2 4.08Å; W437-L440 PolarHBondContact O-N 2.96Å; L440-E443 PolarHBondContact O-N 3.07Å; L440-I444 HydrophobicContact CD1-CD1 4.01Å; L440-I444 HydrophobicContact CG-CD1 3.88Å; L440-I444 WeakPolarHBondContact O-CB 3.42Å; L440-I444 WeakPolarHBondContact O-CD1 3.47Å; L440-I444 WeakPolarHBondContact O-CG1 3.48Å; L440-I444 PolarHBondContact O-N 2.93Å
441	I	81.6	Confident	80.9	Confident	21 Å²	21	34.2 Å²	34.2	11%	0.108	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-46.5	177.4	-66.5	165.1	0	0	0	110.8	I357 L364 Q367 I369 W437 E443 I444 E445	I357-I441 HydrophobicContact CD1-CG2 4.26Å; I357-I441 HydrophobicContact CG1-CG2 3.84Å; L364-I441 HydrophobicContact CD1-CD1 3.52Å; L364-I441 HydrophobicContact CG-CD1 4.48Å; Q367-I441 HydrophobicContact CB-CD1 4.43Å; I369-I441 HydrophobicContact CD1-CG1 4.15Å; I369-I441 HydrophobicContact CG1-CG1 4.09Å; W437-I441 WeakPolarHBondContact O-CG1 3.35Å; W437-I441 PolarHBondContact O-N 3.45Å; I441-E443 VanDerWaalsContact C-N 3.33Å; I441-E443 PolarHBondContact O-N 3.48Å; I441-I444 PolarHBondContact O-N 3.31Å; I441-E445 WeakPolarHBondContact O-CB 3.49Å; I441-E445 PolarHBondContact O-N 3.37Å
442	Y	82.2	Confident	79.3	Confident	48 Å²	48	34.4 Å²	34.4	19%	0.188	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-46.3	177.5	174.1	-94.8	0	0	0	111.7	A350 I353 I354 R438 L439 E445 A446	A350-Y442 HydrophobicContact CB-CE2 4.48Å; I353-Y442 HydrophobicContact CG2-CD2 3.75Å; I353-Y442 HydrophobicContact CG2-CE2 4.35Å; I354-Y442 HydrophobicContact CG1-CD2 4.35Å; I354-Y442 HydrophobicContact CG1-CE2 4.41Å; R438-Y442 VanDerWaalsContact O-CB 3.3Å; R438-Y442 WeakPolarHBondContact O-CB 3.13Å; R438-Y442 PolarHBondContact O-N 3.3Å; L439-Y442 PolarHBondContact O-N 2.81Å; Y442-E445 PolarHBondContact O-N 3.4Å; Y442-A446 HydrophobicContact CE1-CB 4.47Å; Y442-A446 WeakPolarHBondContact O-CB 3.37Å; Y442-A446 PolarHBondContact O-N 3.02Å
443	E	79.9	Confident	77.4	Confident	13 Å²	13	37.4 Å²	37.4	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-35.8	-176	-162.8	66.9	-154.1	0	0	112.1	V377 R380 L439 L440 I441 K447	V377-E443 HydrophobicContact CB-CG 4.25Å; V377-E443 HydrophobicContact CG1-CB 3.88Å; V377-E443 HydrophobicContact CG1-CG 3.76Å; V377-E443 HydrophobicContact CG2-CB 4.19Å; V377-E443 HydrophobicContact CG2-CG 3.7Å; R380-E443 WeakPolarHBondContact CD-OE1 3.41Å; R380-E443 IonicContact CZ-OE1 3.69Å; R380-E443 IonicContact NE-OE1 2.87Å; R380-E443 PolarHBondContact NE-OE1 3.07Å; R380-E443 IonicContact NH1-OE1 2.75Å; R380-E443 PolarHBondContact NH1-OE1 3.31Å; L439-E443 WeakPolarHBondContact O-CB 3.07Å; L439-E443 PolarHBondContact O-N 3.21Å; L440-E443 PolarHBondContact O-N 3.07Å; I441-E443 VanDerWaalsContact C-N 3.33Å; I441-E443 PolarHBondContact O-N 3.48Å; E443-K447 WeakPolarHBondContact O-CG 3.23Å; E443-K447 PolarHBondContact O-N 2.85Å
444	I	80.9	Confident	75.5	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-46.6	175.8	-67.7	168.2	0	0	0	110.4	I369 V374 V377 L440 I441 K447 R448	I369-I444 HydrophobicContact CG2-CD1 3.24Å; V374-I444 HydrophobicContact CG2-CD1 3.66Å; V374-I444 HydrophobicContact CG2-CG1 4.24Å; V377-I444 HydrophobicContact CG2-CG1 4.31Å; L440-I444 HydrophobicContact CD1-CD1 4.01Å; L440-I444 HydrophobicContact CG-CD1 3.88Å; L440-I444 WeakPolarHBondContact O-CB 3.42Å; L440-I444 WeakPolarHBondContact O-CD1 3.47Å; L440-I444 WeakPolarHBondContact O-CG1 3.48Å; L440-I444 PolarHBondContact O-N 2.93Å; I441-I444 PolarHBondContact O-N 3.31Å; I444-K447 PolarHBondContact O-N 3.06Å; I444-R448 PolarHBondContact O-N 3.14Å
445	E	78.4	Confident	73.3	Confident	33 Å²	33	50.6 Å²	50.6	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-35.6	176.7	-82.2	-68.8	140.3	0	0	112.3	I353 I441 Y442 K447 R448 Q449	I353-E445 HydrophobicContact CD1-CB 4.28Å; I353-E445 HydrophobicContact CG1-CB 4.11Å; I353-E445 HydrophobicContact CG2-CB 3.71Å; I441-E445 WeakPolarHBondContact O-CB 3.49Å; I441-E445 PolarHBondContact O-N 3.37Å; Y442-E445 PolarHBondContact O-N 3.4Å; E445-K447 VanDerWaalsContact C-N 3.34Å; E445-K447 PolarHBondContact O-N 2.81Å; E445-R448 PolarHBondContact O-N 3.27Å; E445-R448 IonicContact OE1-NH1 3.7Å; E445-R448 PolarHBondContact OE1-NH1 2.94Å; E445-R448 VanDerWaalsContact OE1-NH1 3.14Å; E445-Q449 WeakPolarHBondContact O-CG 3.43Å; E445-Q449 PolarHBondContact O-N 3.47Å; E445-Q449 PolarHBondContact OE2-NE2 3.47Å
446	A	77.7	Confident	71	Confident	1 Å²	1	52 Å²	52	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-40.8	174.6	0	0	0	0	0	111.7	I353 Y442 Q449 G450 V451	I353-A446 HydrophobicContact CD1-CB 4.32Å; Y442-A446 HydrophobicContact CE1-CB 4.47Å; Y442-A446 WeakPolarHBondContact O-CB 3.37Å; Y442-A446 PolarHBondContact O-N 3.02Å; A446-Q449 PolarHBondContact O-N 2.86Å; A446-G450 PolarHBondContact O-N 3.32Å; A446-V451 PolarHBondContact O-N 2.94Å
447	K	77.4	Confident	68.5	Low	32 Å²	32	55.6 Å²	55.6	14%	0.139	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-42.8	174.1	-77.3	-175.6	-176.3	-178.1	0	112.6	Y373 S376 V377 E443 I444 E445 Q449 G450	Y373-K447 HydrophobicContact CD1-CB 4.47Å; S376-K447 PolarHBondContact O-NZ 2.98Å; S376-K447 PolarHBondContact OG-NZ 3.31Å; V377-K447 HydrophobicContact CG2-CD 3.86Å; V377-K447 VanDerWaalsContact N-NZ 3.1Å; E443-K447 WeakPolarHBondContact O-CG 3.23Å; E443-K447 PolarHBondContact O-N 2.85Å; I444-K447 PolarHBondContact O-N 3.06Å; E445-K447 VanDerWaalsContact C-N 3.34Å; E445-K447 PolarHBondContact O-N 2.81Å; K447-Q449 PolarHBondContact O-N 3.29Å; K447-G450 PolarHBondContact O-N 3.45Å; K447-G450 VanDerWaalsContact O-N 3.14Å
448	R	78.4	Confident	65.8	Low	152 Å²	152	64.8 Å²	64.8	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-58.8	-34.6	176	-173.5	-177.9	176.6	-171	3.3	112.4	I444 E445	I444-R448 PolarHBondContact O-N 3.14Å; E445-R448 PolarHBondContact O-N 3.27Å; E445-R448 IonicContact OE1-NH1 3.7Å; E445-R448 PolarHBondContact OE1-NH1 2.94Å; E445-R448 VanDerWaalsContact OE1-NH1 3.14Å
449	Q	71.6	Confident	63.4	Low	60 Å²	60	68.9 Å²	68.9	28%	0.28	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.7	-179.5	-61.5	-175.2	45.9	0	0	113.7	V349 I353 E445 A446 K447 V451	V349-Q449 HydrophobicContact CG1-CB 3.8Å; V349-Q449 HydrophobicContact CG1-CG 4.44Å; I353-Q449 VanDerWaalsContact CG1-NE2 3.27Å; E445-Q449 WeakPolarHBondContact O-CG 3.43Å; E445-Q449 PolarHBondContact O-N 3.47Å; E445-Q449 PolarHBondContact OE2-NE2 3.47Å; A446-Q449 PolarHBondContact O-N 2.86Å; K447-Q449 PolarHBondContact O-N 3.29Å; Q449-V451 PolarHBondContact O-N 3.28Å
450	G	67.8	Low	62.3	Low	45 Å²	45	70.3 Å²	70.3	46%	0.464	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	13	177.6	0	0	0	0	0	114.9	A446 K447 T452	A446-G450 PolarHBondContact O-N 3.32Å; K447-G450 PolarHBondContact O-N 3.45Å; K447-G450 VanDerWaalsContact O-N 3.14Å; G450-T452 PolarHBondContact O-N 3.46Å
451	V	58.9	Low	61.2	Low	2 Å²	2	73.9 Å²	73.9	1%	0.012	43%	0.429	C	S	.	.			trans	-92.8	72.8	178	-177.3	0	0	0	0	108.6	L341 K346 V349 A446 Q449 T453	L341-V451 HydrophobicContact CD1-CG2 4.24Å; K346-V451 HydrophobicContact CB-CG1 3.86Å; K346-V451 HydrophobicContact CD-CG1 4.34Å; K346-V451 HydrophobicContact CG-CG1 3.95Å; K346-V451 HydrophobicContact CG-CG2 4.4Å; V349-V451 HydrophobicContact CB-CG2 3.76Å; V349-V451 HydrophobicContact CG1-CB 4.1Å; V349-V451 HydrophobicContact CG1-CG2 3.36Å; V349-V451 HydrophobicContact CG2-CG2 4.09Å; A446-V451 PolarHBondContact O-N 2.94Å; Q449-V451 PolarHBondContact O-N 3.28Å; V451-T453 HydrophobicContact CG1-CG2 4.38Å; V451-T453 PolarHBondContact O-N 2.99Å; V451-T453 VanDerWaalsContact O-N 3.12Å
452	T	54	Low	60	Low	72 Å²	72	76.9 Å²	76.9	44%	0.442	45%	0.447	S	S	.	.			trans	-70.3	110.7	168.9	56.1	0	0	0	0	108.5	G450 K454	G450-T452 PolarHBondContact O-N 3.46Å; T452-K454 PolarHBondContact O-N 3.23Å
453	T	49	Very low	58.7	Low	63 Å²	63	78.6 Å²	78.6	39%	0.387	46%	0.462	S	S	.	.	S	Bend	trans	-79.4	111.4	168.3	59.9	0	0	0	0	106.9	R380 V451	R380-T453 PolarHBondContact NH1-O 2.83Å; R380-T453 PolarHBondContact NH2-O 3.15Å; V451-T453 HydrophobicContact CG1-CG2 4.38Å; V451-T453 PolarHBondContact O-N 2.99Å; V451-T453 VanDerWaalsContact O-N 3.12Å
454	K	48.8	Very low	57.4	Low	177 Å²	177	82.7 Å²	82.7	77%	0.77	49%	0.487	S	S	*	.	S	Bend	trans	67.3	135.5	-171.4	-69	-176.6	172	-176.5	0	116.1	R380 T452	R380-K454 PolarHBondContact NH2-O 3.01Å; T452-K454 PolarHBondContact O-N 3.23Å
455	P	41.3	Very low	55.8	Low	118 Å²	118	87.7 Å²	87.7	77%	0.766	52%	0.517	S	S	*	.			trans	-71	133.8	170	29.9	-31.6	0	0	0	109.9	G457	P455-G457 PolarHBondContact O-N 2.95Å
456	D	37.8	Very low	54.2	Low	108 Å²	108	91.6 Å²	91.6	58%	0.578	54%	0.543	S	S	*	.	S	Bend	trans	-65	119.7	169.4	-59.5	-35.5	0	0	0	107.8	R380	R380-D456 IonicContact CZ-OD1 2.78Å; R380-D456 IonicContact NE-OD1 2.92Å; R380-D456 PolarHBondContact NE-OD1 3.37Å; R380-D456 IonicContact NH2-OD1 3.67Å; R380-D456 PolarHBondContact NH2-OD1 3.31Å; R380-D456 IonicContact NH2-OD2 3.82Å
457	G	35.5	Very low	52.4	Low	76 Å²	76	98.5 Å²	98.5	78%	0.784	58%	0.584	S	S	*	*			trans	118.4	34.8	161.7	0	0	0	0	0	120.5	P455	P455-G457 PolarHBondContact O-N 2.95Å
458	Q	29.4	Very low	50.3	Low	197 Å²	197	104.1 Å²	104.1	92%	0.921	62%	0.621	S	S	*	*			trans	-135.9	89.1	159.1	-76.5	-174.7	-12.2	0	0	111.3
459	A	31.6	Very low	47.8	Very low	179 Å²	179	99.7 Å²	99.7	100%	1.479	63%	0.626	S	S	*	*			trans	-159.9	0	147.4	0	0	0	0	0	107.6

Retrieved 459 of 459 residues in 206.6 ms (Link to these results)

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