A0A5K4F2J7_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A5K4F2J7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 644 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	67	Low	245 Å²	245	152.7 Å²	152.7	100%	1.207	80%	0.801	S	S	*	*				0	94.3	0	-75.8	177.7	163.6	0	0	107.6	R3	M1-R3 PolarHBondContact O-N 3.26Å
2	T	47.2	Very low	68.2	Low	144 Å²	144	150.3 Å²	150.3	88%	0.883	79%	0.789	S	S	*	*			trans	-69.2	101.1	170.2	38.3	0	0	0	0	106.6	S4	T2-S4 PolarHBondContact O-N 3.25Å
3	R	53.4	Low	69.2	Low	237 Å²	237	147 Å²	147	89%	0.894	76%	0.76	S	S	*	*			trans	-53.6	117	169.4	-128.6	176.6	-178.2	179.6	-0.5	105	M1 E5	M1-R3 PolarHBondContact O-N 3.26Å; R3-E5 PolarHBondContact O-N 3.16Å
4	S	58.1	Low	70.1	Confident	102 Å²	102	144.7 Å²	144.7	71%	0.713	75%	0.747	S	S	*	*			trans	-55.3	110.2	172.3	57.5	0	0	0	0	106	T2 T6	T2-S4 PolarHBondContact O-N 3.25Å; S4-T6 PolarHBondContact O-N 2.95Å
5	E	63.9	Low	71	Confident	190 Å²	190	139.9 Å²	139.9	89%	0.888	73%	0.727	S	S	*	*			trans	-62.9	93.2	172.3	-78.2	-179.6	163.5	0	0	106.1	R3 K7	R3-E5 PolarHBondContact O-N 3.16Å; E5-K7 VanDerWaalsContact C-N 3.32Å; E5-K7 PolarHBondContact O-N 3.21Å
6	T	73	Confident	71.8	Confident	114 Å²	114	138.6 Å²	138.6	70%	0.699	73%	0.727	S	S	*	*			trans	-56.8	105	165.8	17	0	0	0	0	105.5	S4 L8	S4-T6 PolarHBondContact O-N 2.95Å; T6-L8 PolarHBondContact O-N 3.37Å
7	K	75.6	Confident	72.5	Confident	206 Å²	206	136.5 Å²	136.5	90%	0.896	73%	0.727	S	S	*	*			trans	-58.1	105.5	178.7	-159.5	177.8	-174.2	-178	0	106.9	E5	E5-K7 VanDerWaalsContact C-N 3.32Å; E5-K7 PolarHBondContact O-N 3.21Å
8	L	78.7	Confident	73	Confident	108 Å²	108	133 Å²	133	57%	0.565	71%	0.711	S	S	*	*			trans	-66.2	137.5	-177.1	-66.1	175.4	0	0	0	108.7	T6 T10 I14	T6-L8 PolarHBondContact O-N 3.37Å; L8-T10 PolarHBondContact O-N 3.19Å; L8-I14 HydrophobicContact CD1-CD1 3.97Å; L8-I14 HydrophobicContact CD2-CD1 3.78Å; L8-I14 HydrophobicContact CD2-CG1 4.18Å; L8-I14 HydrophobicContact CG-CD1 4.37Å
9	P	78.4	Confident	73.5	Confident	66 Å²	66	131.6 Å²	131.6	43%	0.429	71%	0.71	S	S	.	*			trans	-62.6	129.6	175.8	25.6	-31.8	0	0	0	109.4	D12	P9-D12 HydrophobicContact CB-CB 4.13Å
10	T	82.8	Confident	74.2	Confident	141 Å²	141	129.3 Å²	129.3	87%	0.865	70%	0.704	S	S	*	*	S	Bend	trans	-99.8	-8.7	176.7	55.1	0	0	0	0	113	L8	L8-T10 PolarHBondContact O-N 3.19Å
11	V	85.1	Confident	75	Confident	127 Å²	127	126 Å²	126	77%	0.77	69%	0.689	S	S	*	*	S	Bend	trans	-115.6	-8.4	-178.4	-64.3	0	0	0	0	113.3
12	D	81.8	Confident	77.5	Confident	123 Å²	123	116.5 Å²	116.5	66%	0.658	65%	0.646	S	S	*	*	S	Bend	trans	-129.1	162.9	-179.8	-73.7	-47.6	0	0	0	110.9	P9 I14	P9-D12 HydrophobicContact CB-CB 4.13Å; D12-I14 PolarHBondContact O-N 2.95Å
13	R	81.4	Confident	79.6	Confident	108 Å²	108	115.2 Å²	115.2	41%	0.408	64%	0.643	S	S	.	*			trans	-62.8	131.6	177.4	-66.9	-173.1	71.1	175.4	-5	110.5	V15 T16 V18 P19 S20	R13-V15 VanDerWaalsContact C-N 3.31Å; R13-V15 PolarHBondContact O-N 2.89Å; R13-T16 VanDerWaalsContact O-CG2 3.28Å; R13-T16 WeakPolarHBondContact O-CG2 3.26Å; R13-V18 VanDerWaalsContact CZ-O 3.3Å; R13-V18 PolarHBondContact NH1-O 2.88Å; R13-P19 PolarHBondContact NH1-O 3.16Å; R13-S20 VanDerWaalsContact NH1-N 3.18Å; R13-S20 PolarHBondContact NH1-OG 2.87Å
14	I	82.1	Confident	81.5	Confident	115 Å²	115	112.2 Å²	112.2	59%	0.59	64%	0.637	S	S	*	*	S	Bend	trans	-64.8	-34.9	174.4	-166.9	172.5	0	0	0	112.3	L8 D12	L8-I14 HydrophobicContact CD1-CD1 3.97Å; L8-I14 HydrophobicContact CD2-CD1 3.78Å; L8-I14 HydrophobicContact CD2-CG1 4.18Å; L8-I14 HydrophobicContact CG-CD1 4.37Å; D12-I14 PolarHBondContact O-N 2.95Å
15	V	83.4	Confident	83.4	Confident	72 Å²	72	111.6 Å²	111.6	44%	0.436	63%	0.625	S	S	.	*			trans	-106.9	87.3	175.1	-169	0	0	0	0	109.3	R13 S17 V18	R13-V15 VanDerWaalsContact C-N 3.31Å; R13-V15 PolarHBondContact O-N 2.89Å; V15-S17 VanDerWaalsContact C-N 3.3Å; V15-S17 PolarHBondContact O-N 3.32Å; V15-V18 HydrophobicContact CG1-CB 4.28Å; V15-V18 HydrophobicContact CG1-CG2 3.71Å
16	T	83.9	Confident	85	Confident	120 Å²	120	103.5 Å²	103.5	74%	0.736	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-16	-177.9	53.9	0	0	0	0	114	R13 V18	R13-T16 VanDerWaalsContact O-CG2 3.28Å; R13-T16 WeakPolarHBondContact O-CG2 3.26Å; T16-V18 VanDerWaalsContact C-N 3.29Å; T16-V18 PolarHBondContact O-N 3.27Å
17	S	84.2	Confident	86.2	Confident	103 Å²	103	100.6 Å²	100.6	72%	0.72	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-17	177.4	55.3	0	0	0	0	113.9	V15	V15-S17 VanDerWaalsContact C-N 3.3Å; V15-S17 PolarHBondContact O-N 3.32Å
18	V	80.4	Confident	87.2	Confident	73 Å²	73	91.4 Å²	91.4	44%	0.442	53%	0.532	S	S	.	.	S	Bend	trans	-97.3	112.5	178.3	178.9	0	0	0	0	108	R13 V15 T16	R13-V18 VanDerWaalsContact CZ-O 3.3Å; R13-V18 PolarHBondContact NH1-O 2.88Å; V15-V18 HydrophobicContact CG1-CB 4.28Å; V15-V18 HydrophobicContact CG1-CG2 3.71Å; T16-V18 VanDerWaalsContact C-N 3.29Å; T16-V18 PolarHBondContact O-N 3.27Å
19	P	83.1	Confident	88.1	Confident	107 Å²	107	91 Å²	91	70%	0.695	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-61.7	158.7	178.7	25.4	-32.4	0	0	0	111.2	R13	R13-P19 PolarHBondContact NH1-O 3.16Å
20	S	86.4	Confident	89	Confident	84 Å²	84	90.4 Å²	90.4	59%	0.587	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-79.9	138.2	173.2	-62.4	0	0	0	0	109.7	R13	R13-S20 VanDerWaalsContact NH1-N 3.18Å; R13-S20 PolarHBondContact NH1-OG 2.87Å
21	P	91	Very high	89.7	Confident	60 Å²	60	83.7 Å²	83.7	39%	0.39	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-53.9	144.2	169.4	-28.7	36.9	0	0	0	111.6	S23 E50	P21-S23 PolarHBondContact O-N 3.07Å; P21-E50 HydrophobicContact CB-CB 3.97Å; P21-E50 HydrophobicContact CG-CB 4.14Å
22	P	93.8	Very high	90.4	Very high	46 Å²	46	78.1 Å²	78.1	30%	0.299	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-55.3	120.9	171.5	-24.6	33	0	0	0	111.3	S49	P22-S49 WeakPolarHBondContact CD-O 3.27Å; P22-S49 VanDerWaalsContact CG-OG 3.27Å; P22-S49 WeakPolarHBondContact CG-OG 3.17Å
23	S	90.7	Very high	91.1	Very high	118 Å²	118	73.9 Å²	73.9	83%	0.825	44%	0.435	S	S	*	.			trans	-80.5	-20.6	-178	58.8	0	0	0	0	113.9	P21	P21-S23 PolarHBondContact O-N 3.07Å
24	K	94.3	Very high	91.8	Very high	174 Å²	174	75 Å²	75	76%	0.757	46%	0.459	S	S	*	.	S	Bend	trans	-94.4	131.6	-180	-65.8	-174.9	-179.9	-178.8	0	110.2
25	L	97.5	Very high	92.5	Very high	88 Å²	88	77.3 Å²	77.3	46%	0.461	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-63.3	134.7	168.5	-58.2	-177.2	0	0	0	109.4	P27 R52 T54	L25-P27 WeakPolarHBondContact O-CD 3.37Å; L25-R52 WeakPolarHBondContact CA-O 3.38Å; L25-R52 HydrophobicContact CD2-CB 3.53Å; L25-T54 HydrophobicContact CB-CG2 3.7Å; L25-T54 HydrophobicContact CD1-CG2 4.45Å
26	M	97.7	Very high	93.1	Very high	20 Å²	20	75 Å²	75	10%	0.099	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-77.5	120.5	177.5	-179.2	-178.4	-73.9	0	0	109.6	T30 V31 I42 H46 R52 L53 T54	M26-T30 HydrophobicContact CE-CG2 4.29Å; M26-T30 HydrophobicContact CG-CG2 3.86Å; M26-T30 HydrophobicContact SD-CG2 3.99Å; M26-V31 HydrophobicContact CG-CG2 3.83Å; M26-V31 HydrophobicContact SD-CG2 3.85Å; M26-I42 HydrophobicContact CE-CG2 3.5Å; M26-I42 HydrophobicContact SD-CG2 3.8Å; M26-H46 HydrophobicContact CE-CB 3.5Å; M26-R52 PolarHBondContact N-O 3Å; M26-L53 HydrophobicContact CB-CD2 3.68Å; M26-L53 HydrophobicContact CG-CD2 4.08Å; M26-L53 HydrophobicContact SD-CD2 3.76Å; M26-T54 PolarHBondContact O-N 2.94Å; M26-T54 PolarHBondContact O-OG1 2.88Å
27	P	97.6	Very high	93.7	Very high	53 Å²	53	75.2 Å²	75.2	34%	0.344	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-76.2	157.9	-176.1	32.4	-36.3	0	0	0	112	L25 S29 T30 V31	L25-P27 WeakPolarHBondContact O-CD 3.37Å; P27-S29 PolarHBondContact O-N 3.07Å; P27-S29 VanDerWaalsContact O-N 3.12Å; P27-T30 PolarHBondContact O-N 2.77Å; P27-V31 WeakPolarHBondContact O-CG2 3.26Å; P27-V31 PolarHBondContact O-N 3.16Å; P27-V31 VanDerWaalsContact O-N 3.09Å
28	S	97.2	Very high	94.4	Very high	13 Å²	13	70.6 Å²	70.6	9%	0.091	41%	0.41	C	S	.	.	H	α-helix	trans	-51.9	-35.4	176.4	-55.2	0	0	0	0	113.6	T30 V31 F32 E56 A57	S28-T30 PolarHBondContact O-N 2.98Å; S28-V31 PolarHBondContact O-N 3.2Å; S28-F32 WeakPolarHBondContact O-CD2 3.36Å; S28-F32 PolarHBondContact O-N 3.06Å; S28-F32 VanDerWaalsContact O-N 3.1Å; S28-E56 WeakPolarHBondContact CB-OE2 3.25Å; S28-E56 PolarHBondContact OG-OE2 2.83Å; S28-A57 WeakPolarHBondContact OG-CA 3.18Å; S28-A57 WeakPolarHBondContact OG-CB 3.49Å; S28-A57 PolarHBondContact OG-N 3.01Å
29	S	96.8	Very high	95.3	Very high	101 Å²	101	69.6 Å²	69.6	71%	0.706	40%	0.4	S	S	*	.	H	α-helix	trans	-63.7	-20.7	177.2	55.2	0	0	0	0	114.4	P27	P27-S29 PolarHBondContact O-N 3.07Å; P27-S29 VanDerWaalsContact O-N 3.12Å
30	T	97.7	Very high	95.9	Very high	53 Å²	53	65.3 Å²	65.3	33%	0.325	37%	0.372	S	S	.	.	H	α-helix	trans	-97.8	-35.1	174.5	-58.3	0	0	0	0	111.4	M26 P27 S28 F32 Q39 I42	M26-T30 HydrophobicContact CE-CG2 4.29Å; M26-T30 HydrophobicContact CG-CG2 3.86Å; M26-T30 HydrophobicContact SD-CG2 3.99Å; P27-T30 PolarHBondContact O-N 2.77Å; S28-T30 PolarHBondContact O-N 2.98Å; T30-F32 VanDerWaalsContact C-N 3.28Å; T30-F32 PolarHBondContact O-N 2.67Å; T30-Q39 PolarHBondContact O-NE2 2.99Å; T30-I42 HydrophobicContact CG2-CG2 3.92Å
31	V	98.4	Very high	96.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-35.7	179.5	174	0	0	0	0	111.7	M26 P27 S28 Q39 I43 L53 A57 I61	M26-V31 HydrophobicContact CG-CG2 3.83Å; M26-V31 HydrophobicContact SD-CG2 3.85Å; P27-V31 WeakPolarHBondContact O-CG2 3.26Å; P27-V31 PolarHBondContact O-N 3.16Å; P27-V31 VanDerWaalsContact O-N 3.09Å; S28-V31 PolarHBondContact O-N 3.2Å; V31-Q39 PolarHBondContact O-N 3.29Å; V31-I43 HydrophobicContact CG1-CD1 3.8Å; V31-I43 HydrophobicContact CG1-CG1 4.19Å; V31-L53 HydrophobicContact CG1-CD1 4.43Å; V31-L53 HydrophobicContact CG2-CD1 4.18Å; V31-L53 HydrophobicContact CG2-CD2 3.68Å; V31-L53 HydrophobicContact CG2-CG 4.4Å; V31-A57 HydrophobicContact CB-CB 4.25Å; V31-A57 HydrophobicContact CG1-CB 4.39Å; V31-A57 HydrophobicContact CG2-CB 3.87Å; V31-I61 HydrophobicContact CG1-CD1 3.97Å
32	F	98.7	Very high	96.7	Very high	10 Å²	10	66.8 Å²	66.8	4%	0.044	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-117	141.6	-175	-59.8	-89.5	0	0	0	112.7	S28 T30 G36 R37 P38 A57 R60 I61	S28-F32 WeakPolarHBondContact O-CD2 3.36Å; S28-F32 PolarHBondContact O-N 3.06Å; S28-F32 VanDerWaalsContact O-N 3.1Å; T30-F32 VanDerWaalsContact C-N 3.28Å; T30-F32 PolarHBondContact O-N 2.67Å; F32-G36 VanDerWaalsContact CD1-O 3.3Å; F32-G36 WeakPolarHBondContact CD1-O 3.49Å; F32-R37 CarbonylContact C-O 3.56Å; F32-R37 VanDerWaalsContact CA-O 3.32Å; F32-R37 WeakPolarHBondContact CA-O 3.39Å; F32-P38 HydrophobicContact CD1-CB 4.48Å; F32-P38 HydrophobicContact CD1-CG 4.1Å; F32-P38 HydrophobicContact CE1-CB 4.5Å; F32-P38 HydrophobicContact CE1-CG 3.86Å; F32-A57 HydrophobicContact CE2-CB 4.47Å; F32-R60 VanDerWaalsContact CB-NH1 3.29Å; F32-R60 HydrophobicContact CE1-CG 4.29Å; F32-R60 HydrophobicContact CE2-CB 3.98Å; F32-R60 HydrophobicContact CE2-CG 3.95Å; F32-R60 HydrophobicContact CZ-CB 3.82Å; F32-R60 HydrophobicContact CZ-CG 3.59Å; F32-I61 HydrophobicContact CE1-CG1 4.14Å; F32-I61 HydrophobicContact CE2-CG1 4.41Å; F32-I61 HydrophobicContact CZ-CG1 3.59Å
33	D	97.3	Very high	96.9	Very high	33 Å²	33	64.6 Å²	64.6	18%	0.176	36%	0.355	C	S	.	.			trans	-72.8	174.4	173	76	9.2	0	0	0	112	K35 G36 R37 Q39	D33-K35 PolarHBondContact O-N 3.28Å; D33-K35 VanDerWaalsContact OD1-C 3.3Å; D33-K35 VanDerWaalsContact OD1-CA 3.26Å; D33-K35 WeakPolarHBondContact OD1-CA 3.32Å; D33-K35 VanDerWaalsContact OD1-CB 3.32Å; D33-K35 WeakPolarHBondContact OD1-CB 3.26Å; D33-K35 PolarHBondContact OD1-N 3.42Å; D33-G36 WeakPolarHBondContact O-CA 3.49Å; D33-G36 PolarHBondContact O-N 2.97Å; D33-G36 PolarHBondContact OD1-N 3.2Å; D33-G36 VanDerWaalsContact OD1-N 3.1Å; D33-R37 PolarHBondContact N-O 3.48Å; D33-R37 PolarHBondContact OD1-N 2.73Å; D33-R37 IonicContact OD1-NE 2.83Å; D33-R37 IonicContact OD2-CZ 3.4Å; D33-R37 IonicContact OD2-NE 3.33Å; D33-R37 PolarHBondContact OD2-NE 3.33Å; D33-R37 IonicContact OD2-NH2 2.73Å; D33-R37 PolarHBondContact OD2-NH2 2.92Å; D33-Q39 HydrophobicContact CB-CG 4Å
34	S	96	Very high	97.2	Very high	131 Å²	131	59.1 Å²	59.1	92%	0.916	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.7	177.1	57.9	0	0	0	0	114.9
35	K	95.8	Very high	97.3	Very high	165 Å²	165	54.4 Å²	54.4	72%	0.717	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	5.8	175.2	-57.9	-179.5	-179.5	178.2	0	111.9	D33 R37	D33-K35 PolarHBondContact O-N 3.28Å; D33-K35 VanDerWaalsContact OD1-C 3.3Å; D33-K35 VanDerWaalsContact OD1-CA 3.26Å; D33-K35 WeakPolarHBondContact OD1-CA 3.32Å; D33-K35 VanDerWaalsContact OD1-CB 3.32Å; D33-K35 WeakPolarHBondContact OD1-CB 3.26Å; D33-K35 PolarHBondContact OD1-N 3.42Å; K35-R37 VanDerWaalsContact C-N 3.32Å; K35-R37 HydrophobicContact CB-CG 4.31Å
36	G	96.3	Very high	97.4	Very high	22 Å²	22	51.3 Å²	51.3	23%	0.227	29%	0.288	C	S	.	.	S	Bend	trans	76.6	13.9	-179	0	0	0	0	0	114.1	F32 D33 R60	F32-G36 VanDerWaalsContact CD1-O 3.3Å; F32-G36 WeakPolarHBondContact CD1-O 3.49Å; D33-G36 WeakPolarHBondContact O-CA 3.49Å; D33-G36 PolarHBondContact O-N 2.97Å; D33-G36 PolarHBondContact OD1-N 3.2Å; D33-G36 VanDerWaalsContact OD1-N 3.1Å; G36-R60 PolarHBondContact O-NH2 3.09Å
37	R	97.5	Very high	97.4	Very high	126 Å²	126	50.5 Å²	50.5	48%	0.475	28%	0.284	S	S	.	.			trans	-90.2	137.8	-178.6	-57.5	-176.7	-58.4	155	10.6	111.1	F32 D33 K35 L136	F32-R37 CarbonylContact C-O 3.56Å; F32-R37 VanDerWaalsContact CA-O 3.32Å; F32-R37 WeakPolarHBondContact CA-O 3.39Å; D33-R37 PolarHBondContact N-O 3.48Å; D33-R37 PolarHBondContact OD1-N 2.73Å; D33-R37 IonicContact OD1-NE 2.83Å; D33-R37 IonicContact OD2-CZ 3.4Å; D33-R37 IonicContact OD2-NE 3.33Å; D33-R37 PolarHBondContact OD2-NE 3.33Å; D33-R37 IonicContact OD2-NH2 2.73Å; D33-R37 PolarHBondContact OD2-NH2 2.92Å; K35-R37 VanDerWaalsContact C-N 3.32Å; K35-R37 HydrophobicContact CB-CG 4.31Å; R37-L136 HydrophobicContact CB-CD2 3.86Å
38	P	98.4	Very high	97.3	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.032	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-57.6	139.6	174.3	-22.1	31.3	0	0	0	112	F32 I43 I135	F32-P38 HydrophobicContact CD1-CB 4.48Å; F32-P38 HydrophobicContact CD1-CG 4.1Å; F32-P38 HydrophobicContact CE1-CB 4.5Å; F32-P38 HydrophobicContact CE1-CG 3.86Å; P38-I43 HydrophobicContact CB-CD1 3.9Å; P38-I135 HydrophobicContact CG-CB 4.23Å; P38-I135 HydrophobicContact CG-CD1 4.1Å; P38-I135 HydrophobicContact CG-CG2 4.05Å
39	Q	98.3	Very high	97.3	Very high	52 Å²	52	53.6 Å²	53.6	24%	0.243	30%	0.299	C	S	.	.			trans	-101.5	90.1	-180	-64.6	-175	102.9	0	0	110.5	T30 V31 D33 D41 I42 I43	T30-Q39 PolarHBondContact O-NE2 2.99Å; V31-Q39 PolarHBondContact O-N 3.29Å; D33-Q39 HydrophobicContact CB-CG 4Å; Q39-D41 VanDerWaalsContact C-N 3.29Å; Q39-D41 PolarHBondContact O-N 2.73Å; Q39-I42 HydrophobicContact CB-CB 4.16Å; Q39-I42 HydrophobicContact CB-CD1 3.89Å; Q39-I42 HydrophobicContact CB-CG1 4.1Å; Q39-I42 HydrophobicContact CG-CD1 4.41Å; Q39-I42 PolarHBondContact O-N 3.17Å; Q39-I43 VanDerWaalsContact O-CG1 3.29Å; Q39-I43 WeakPolarHBondContact O-CG1 3.43Å; Q39-I43 PolarHBondContact O-N 3.19Å
40	L	97.3	Very high	97.2	Very high	17 Å²	17	51.5 Å²	51.5	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-28.5	-174.7	-70.1	178	0	0	0	114.2	I42 G44 Y129 L133 L136	L40-I42 PolarHBondContact O-N 3.4Å; L40-G44 PolarHBondContact O-N 3.14Å; L40-Y129 HydrophobicContact CD2-CD2 4.07Å; L40-Y129 HydrophobicContact CD2-CE2 3.85Å; L40-L133 HydrophobicContact CD1-CD2 3.3Å; L40-L133 HydrophobicContact CD1-CG 3.75Å; L40-L136 HydrophobicContact CD1-CD1 3.47Å; L40-L136 VanDerWaalsContact CD1-CD1 3.47Å; L40-L136 HydrophobicContact CG-CD1 3.59Å
41	D	96.3	Very high	97.2	Very high	125 Å²	125	49 Å²	49	67%	0.668	26%	0.263	S	S	*	.	H	α-helix	trans	-64.5	-18.2	172.3	60.3	-45	0	0	0	112.8	Q39 P45	Q39-D41 VanDerWaalsContact C-N 3.29Å; Q39-D41 PolarHBondContact O-N 2.73Å; D41-P45 WeakPolarHBondContact O-CD 3.35Å; D41-P45 WeakPolarHBondContact O-CG 3.44Å
42	I	97.3	Very high	97.1	Very high	51 Å²	51	54.8 Å²	54.8	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-102.1	-48.8	174.6	-58.4	178.5	0	0	0	110.7	M26 T30 Q39 L40 H46	M26-I42 HydrophobicContact CE-CG2 3.5Å; M26-I42 HydrophobicContact SD-CG2 3.8Å; T30-I42 HydrophobicContact CG2-CG2 3.92Å; Q39-I42 HydrophobicContact CB-CB 4.16Å; Q39-I42 HydrophobicContact CB-CD1 3.89Å; Q39-I42 HydrophobicContact CB-CG1 4.1Å; Q39-I42 HydrophobicContact CG-CD1 4.41Å; Q39-I42 PolarHBondContact O-N 3.17Å; L40-I42 PolarHBondContact O-N 3.4Å; I42-H46 VanDerWaalsContact O-CB 3.32Å; I42-H46 WeakPolarHBondContact O-CB 3.47Å; I42-H46 PolarHBondContact O-N 3.38Å
43	I	98.2	Very high	97.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-49.2	-176.6	-63.4	162.7	0	0	0	110.5	V31 P38 Q39 H46 L47 I128	V31-I43 HydrophobicContact CG1-CD1 3.8Å; V31-I43 HydrophobicContact CG1-CG1 4.19Å; P38-I43 HydrophobicContact CB-CD1 3.9Å; Q39-I43 VanDerWaalsContact O-CG1 3.29Å; Q39-I43 WeakPolarHBondContact O-CG1 3.43Å; Q39-I43 PolarHBondContact O-N 3.19Å; I43-H46 PolarHBondContact O-N 2.94Å; I43-L47 HydrophobicContact CG2-CD1 3.79Å; I43-L47 HydrophobicContact CG2-CG 4.07Å; I43-L47 WeakPolarHBondContact O-CG 3.21Å; I43-L47 PolarHBondContact O-N 3.29Å; I43-I128 HydrophobicContact CG2-CG2 4.04Å
44	G	97.3	Very high	97.2	Very high	3 Å²	3	54.4 Å²	54.4	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-56.8	-59.1	-176	0	0	0	0	0	112.9	L40 H46 L47 I48	L40-G44 PolarHBondContact O-N 3.14Å; G44-H46 VanDerWaalsContact C-N 3.26Å; G44-H46 PolarHBondContact O-N 3.33Å; G44-L47 PolarHBondContact O-N 3.04Å; G44-I48 VanDerWaalsContact O-CG1 3.3Å; G44-I48 WeakPolarHBondContact O-CG1 3.36Å; G44-I48 PolarHBondContact O-N 3.42Å
45	P	96.9	Very high	97.3	Very high	74 Å²	74	51.1 Å²	51.1	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-35.8	177.1	-28.1	37.7	0	0	0	113.8	D41 I48 S49	D41-P45 WeakPolarHBondContact O-CD 3.35Å; D41-P45 WeakPolarHBondContact O-CG 3.44Å; P45-I48 PolarHBondContact O-N 3.12Å; P45-S49 PolarHBondContact O-N 3.34Å; P45-S49 VanDerWaalsContact O-N 3.09Å; P45-S49 PolarHBondContact O-OG 2.95Å
46	H	97.8	Very high	97.4	Very high	24 Å²	24	49.5 Å²	49.5	11%	0.111	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-47.8	176.9	-175.3	74.1	0	0	0	111.9	M26 I42 I43 G44 S49 G51 R52	M26-H46 HydrophobicContact CE-CB 3.5Å; I42-H46 VanDerWaalsContact O-CB 3.32Å; I42-H46 WeakPolarHBondContact O-CB 3.47Å; I42-H46 PolarHBondContact O-N 3.38Å; I43-H46 PolarHBondContact O-N 2.94Å; G44-H46 VanDerWaalsContact C-N 3.26Å; G44-H46 PolarHBondContact O-N 3.33Å; H46-S49 CarbonylContact O-C 3.37Å; H46-S49 PolarHBondContact O-N 3.08Å; H46-S49 VanDerWaalsContact O-N 3.14Å; H46-S49 PolarHBondContact O-OG 3.32Å; H46-G51 VanDerWaalsContact CD2-C 3.47Å; H46-G51 WeakPolarHBondContact NE2-CA 3.47Å; H46-G51 VanDerWaalsContact O-CA 3.3Å; H46-G51 WeakPolarHBondContact O-CA 3.38Å; H46-G51 PolarHBondContact O-N 2.96Å; H46-R52 PolarHBondContact NE2-N 3.3Å; H46-R52 PolarHBondContact NE2-O 3.31Å
47	L	97.8	Very high	97.5	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-39.6	176.4	-63.7	-177.3	0	0	0	112.1	I43 G44 S49 E50 G51 F92 E125 I128	I43-L47 HydrophobicContact CG2-CD1 3.79Å; I43-L47 HydrophobicContact CG2-CG 4.07Å; I43-L47 WeakPolarHBondContact O-CG 3.21Å; I43-L47 PolarHBondContact O-N 3.29Å; G44-L47 PolarHBondContact O-N 3.04Å; L47-S49 PolarHBondContact O-N 3.27Å; L47-E50 WeakPolarHBondContact O-CA 2.82Å; L47-E50 PolarHBondContact O-N 3.05Å; L47-G51 WeakPolarHBondContact CD2-O 3.36Å; L47-F92 HydrophobicContact CB-CE1 3.65Å; L47-F92 HydrophobicContact CB-CE2 4.38Å; L47-F92 HydrophobicContact CB-CZ 3.54Å; L47-F92 HydrophobicContact CD1-CE2 4.08Å; L47-F92 HydrophobicContact CD1-CZ 4.01Å; L47-F92 HydrophobicContact CG-CZ 4.43Å; L47-E125 HydrophobicContact CB-CG 4.36Å; L47-E125 HydrophobicContact CD1-CB 4.21Å; L47-E125 HydrophobicContact CD1-CG 4.44Å; L47-E125 HydrophobicContact CD2-CG 4.12Å; L47-I128 HydrophobicContact CD1-CB 4.39Å; L47-I128 HydrophobicContact CD1-CG2 3.94Å
48	I	96.9	Very high	97.6	Very high	80 Å²	80	42.6 Å²	42.6	41%	0.41	22%	0.217	S	C	.	.	H	α-helix	trans	-59.8	-31.5	174.6	-70.1	168	0	0	0	111.3	G44 P45 E50 F92 Y93 M96	G44-I48 VanDerWaalsContact O-CG1 3.3Å; G44-I48 WeakPolarHBondContact O-CG1 3.36Å; G44-I48 PolarHBondContact O-N 3.42Å; P45-I48 PolarHBondContact O-N 3.12Å; I48-E50 PolarHBondContact O-N 2.82Å; I48-F92 HydrophobicContact CG1-CE1 3.79Å; I48-F92 HydrophobicContact CG1-CZ 4.26Å; I48-Y93 HydrophobicContact CG2-CE1 4.3Å; I48-Y93 PolarHBondContact O-OH 3.14Å; I48-M96 HydrophobicContact CD1-CG 4.1Å; I48-M96 HydrophobicContact CG1-CG 4.21Å
49	S	95.8	Very high	97.6	Very high	50 Å²	50	43.6 Å²	43.6	35%	0.35	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	12.7	175.3	69.7	0	0	0	0	114.3	P22 P45 H46 L47 G51	P22-S49 WeakPolarHBondContact CD-O 3.27Å; P22-S49 VanDerWaalsContact CG-OG 3.27Å; P22-S49 WeakPolarHBondContact CG-OG 3.17Å; P45-S49 PolarHBondContact O-N 3.34Å; P45-S49 VanDerWaalsContact O-N 3.09Å; P45-S49 PolarHBondContact O-OG 2.95Å; H46-S49 CarbonylContact O-C 3.37Å; H46-S49 PolarHBondContact O-N 3.08Å; H46-S49 VanDerWaalsContact O-N 3.14Å; H46-S49 PolarHBondContact O-OG 3.32Å; L47-S49 PolarHBondContact O-N 3.27Å; S49-G51 PolarHBondContact O-N 2.83Å
50	E	95.1	Very high	97.6	Very high	58 Å²	58	45 Å²	45	27%	0.271	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	20.2	-173.7	-54.6	-179.3	80.7	0	0	114	P21 L47 I48 P337	P21-E50 HydrophobicContact CB-CB 3.97Å; P21-E50 HydrophobicContact CG-CB 4.14Å; L47-E50 WeakPolarHBondContact O-CA 2.82Å; L47-E50 PolarHBondContact O-N 3.05Å; I48-E50 PolarHBondContact O-N 2.82Å; E50-P337 VanDerWaalsContact CD-CB 3.44Å; E50-P337 HydrophobicContact CG-CB 4.21Å; E50-P337 HydrophobicContact CG-CG 3.61Å; E50-P337 WeakPolarHBondContact OE1-CB 3.29Å; E50-P337 WeakPolarHBondContact OE2-CG 3.2Å
51	G	97.1	Very high	97.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	22%	0.221	C	C	.	.			trans	-71.2	144	173.6	0	0	0	0	0	111.4	H46 L47 S49	H46-G51 VanDerWaalsContact CD2-C 3.47Å; H46-G51 WeakPolarHBondContact NE2-CA 3.47Å; H46-G51 VanDerWaalsContact O-CA 3.3Å; H46-G51 WeakPolarHBondContact O-CA 3.38Å; H46-G51 PolarHBondContact O-N 2.96Å; L47-G51 WeakPolarHBondContact CD2-O 3.36Å; S49-G51 PolarHBondContact O-N 2.83Å
52	R	97.8	Very high	97.8	Very high	120 Å²	120	38.3 Å²	38.3	45%	0.453	19%	0.189	S	C	.	.			trans	-110.4	152.6	178.8	-69.2	179.6	-77.9	172.2	-6.9	111.9	L25 M26 H46 K166	L25-R52 WeakPolarHBondContact CA-O 3.38Å; L25-R52 HydrophobicContact CD2-CB 3.53Å; M26-R52 PolarHBondContact N-O 3Å; H46-R52 PolarHBondContact NE2-N 3.3Å; H46-R52 PolarHBondContact NE2-O 3.31Å; R52-K166 WeakPolarHBondContact CD-O 3.36Å
53	L	98.4	Very high	97.9	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-92.9	156.9	173.8	-55.6	-173.4	0	0	0	110	M26 V31 A57 I58 I61 I128	M26-L53 HydrophobicContact CB-CD2 3.68Å; M26-L53 HydrophobicContact CG-CD2 4.08Å; M26-L53 HydrophobicContact SD-CD2 3.76Å; V31-L53 HydrophobicContact CG1-CD1 4.43Å; V31-L53 HydrophobicContact CG2-CD1 4.18Å; V31-L53 HydrophobicContact CG2-CD2 3.68Å; V31-L53 HydrophobicContact CG2-CG 4.4Å; L53-A57 HydrophobicContact CB-CB 4.41Å; L53-I58 HydrophobicContact CB-CD1 4.15Å; L53-I58 HydrophobicContact CB-CG1 3.72Å; L53-I58 HydrophobicContact CD1-CG1 4.38Å; L53-I61 HydrophobicContact CD1-CD1 3.94Å; L53-I128 HydrophobicContact CD1-CD1 4.21Å; L53-I128 HydrophobicContact CD1-CG2 3.62Å
54	T	98.5	Very high	97.9	Very high	31 Å²	31	42.7 Å²	42.7	19%	0.19	21%	0.213	C	C	.	.			trans	-65.2	146.5	168	50.2	0	0	0	0	110.9	L25 M26 E56 A57 I58	L25-T54 HydrophobicContact CB-CG2 3.7Å; L25-T54 HydrophobicContact CD1-CG2 4.45Å; M26-T54 PolarHBondContact O-N 2.94Å; M26-T54 PolarHBondContact O-OG1 2.88Å; T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 PolarHBondContact O-N 2.83Å; T54-A57 WeakPolarHBondContact O-CB 3.47Å; T54-A57 PolarHBondContact O-N 2.79Å; T54-A57 WeakPolarHBondContact OG1-CB 3.48Å; T54-I58 PolarHBondContact O-N 2.91Å; T54-I58 VanDerWaalsContact O-N 3.11Å
55	E	98.5	Very high	98	Very high	62 Å²	62	42.6 Å²	42.6	29%	0.29	21%	0.212	S	C	.	.	H	α-helix	trans	-49	-47.3	175.4	170.8	173.2	-150.5	0	0	112.6	A57 I58 L59 T168 Q170 V171	E55-A57 VanDerWaalsContact C-N 3.26Å; E55-A57 PolarHBondContact O-N 3.04Å; E55-I58 PolarHBondContact O-N 3.48Å; E55-I58 VanDerWaalsContact O-N 3.12Å; E55-L59 HydrophobicContact CG-CD1 3.7Å; E55-L59 HydrophobicContact CG-CG 4.11Å; E55-L59 WeakPolarHBondContact O-CB 3.28Å; E55-L59 WeakPolarHBondContact O-CG 3.47Å; E55-L59 PolarHBondContact O-N 2.82Å; E55-T168 VanDerWaalsContact CD-OG1 3.26Å; E55-T168 HydrophobicContact CG-CG2 4.46Å; E55-T168 WeakPolarHBondContact OE1-CB 3.39Å; E55-T168 WeakPolarHBondContact OE1-CG2 3.33Å; E55-T168 PolarHBondContact OE1-OG1 3.29Å; E55-T168 WeakPolarHBondContact OE2-CG2 3.41Å; E55-Q170 WeakPolarHBondContact OE1-CB 3.4Å; E55-V171 HydrophobicContact CG-CG2 4.11Å
56	E	98.4	Very high	98.1	Very high	131 Å²	131	39.8 Å²	39.8	61%	0.612	19%	0.194	S	C	*	.	H	α-helix	trans	-52	-44.2	176.3	-173.8	-147.6	179.2	0	0	112.2	S28 T54 R60	S28-E56 WeakPolarHBondContact CB-OE2 3.25Å; S28-E56 PolarHBondContact OG-OE2 2.83Å; T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 PolarHBondContact O-N 2.83Å; E56-R60 WeakPolarHBondContact O-CB 3.49Å; E56-R60 PolarHBondContact O-N 3.04Å
57	A	98.7	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.7	-41.4	-179.3	0	0	0	0	0	111.6	S28 V31 F32 L53 T54 E55 R60 I61	S28-A57 WeakPolarHBondContact OG-CA 3.18Å; S28-A57 WeakPolarHBondContact OG-CB 3.49Å; S28-A57 PolarHBondContact OG-N 3.01Å; V31-A57 HydrophobicContact CB-CB 4.25Å; V31-A57 HydrophobicContact CG1-CB 4.39Å; V31-A57 HydrophobicContact CG2-CB 3.87Å; F32-A57 HydrophobicContact CE2-CB 4.47Å; L53-A57 HydrophobicContact CB-CB 4.41Å; T54-A57 WeakPolarHBondContact O-CB 3.47Å; T54-A57 PolarHBondContact O-N 2.79Å; T54-A57 WeakPolarHBondContact OG1-CB 3.48Å; E55-A57 VanDerWaalsContact C-N 3.26Å; E55-A57 PolarHBondContact O-N 3.04Å; A57-R60 PolarHBondContact O-N 2.88Å; A57-I61 WeakPolarHBondContact O-CG1 3.38Å; A57-I61 PolarHBondContact O-N 3.37Å
58	I	98.9	Very high	98.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-49.4	178.1	-59.3	170.9	0	0	0	109.9	L53 T54 E55 R60 I61 I62 L124 I128 V171	L53-I58 HydrophobicContact CB-CD1 4.15Å; L53-I58 HydrophobicContact CB-CG1 3.72Å; L53-I58 HydrophobicContact CD1-CG1 4.38Å; T54-I58 PolarHBondContact O-N 2.91Å; T54-I58 VanDerWaalsContact O-N 3.11Å; E55-I58 PolarHBondContact O-N 3.48Å; E55-I58 VanDerWaalsContact O-N 3.12Å; I58-R60 PolarHBondContact O-N 3.1Å; I58-I61 WeakPolarHBondContact O-CB 3.21Å; I58-I61 PolarHBondContact O-N 2.93Å; I58-I61 VanDerWaalsContact O-N 3.11Å; I58-I62 HydrophobicContact CG2-CD1 3.76Å; I58-I62 HydrophobicContact CG2-CG1 4.41Å; I58-I62 WeakPolarHBondContact O-CG1 3.1Å; I58-I62 PolarHBondContact O-N 2.82Å; I58-L124 HydrophobicContact CD1-CD2 4.48Å; I58-L124 HydrophobicContact CG2-CD1 4.35Å; I58-I128 HydrophobicContact CD1-CD1 4.1Å; I58-I128 HydrophobicContact CG1-CD1 3.96Å; I58-I128 HydrophobicContact CG1-CG1 4.43Å; I58-I128 HydrophobicContact CG2-CD1 4.43Å; I58-I128 HydrophobicContact CG2-CG1 4.22Å; I58-V171 HydrophobicContact CB-CG2 4.23Å; I58-V171 HydrophobicContact CG2-CG1 3.67Å; I58-V171 HydrophobicContact CG2-CG2 4.01Å
59	L	98.9	Very high	98.3	Very high	25 Å²	25	39.6 Å²	39.6	13%	0.131	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-38.7	177.2	-69.5	176.3	0	0	0	111.4	E55 I62 N63 Q170 V171 A174	E55-L59 HydrophobicContact CG-CD1 3.7Å; E55-L59 HydrophobicContact CG-CG 4.11Å; E55-L59 WeakPolarHBondContact O-CB 3.28Å; E55-L59 WeakPolarHBondContact O-CG 3.47Å; E55-L59 PolarHBondContact O-N 2.82Å; L59-I62 PolarHBondContact O-N 3.37Å; L59-N63 WeakPolarHBondContact O-CB 3.3Å; L59-N63 PolarHBondContact O-N 2.85Å; L59-N63 PolarHBondContact O-ND2 2.86Å; L59-Q170 HydrophobicContact CD1-CG 4.24Å; L59-Q170 HydrophobicContact CD2-CG 4.26Å; L59-V171 HydrophobicContact CD2-CG2 4.04Å; L59-V171 HydrophobicContact CG-CG2 4.2Å; L59-A174 HydrophobicContact CD2-CB 3.63Å
60	R	98.6	Very high	98.4	Very high	81 Å²	81	44 Å²	44	31%	0.306	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-44.6	175.1	-173.9	170.5	177.3	-108	-35.2	112.5	F32 G36 E56 A57 I58 I62 N63 D64	F32-R60 VanDerWaalsContact CB-NH1 3.29Å; F32-R60 HydrophobicContact CE1-CG 4.29Å; F32-R60 HydrophobicContact CE2-CB 3.98Å; F32-R60 HydrophobicContact CE2-CG 3.95Å; F32-R60 HydrophobicContact CZ-CB 3.82Å; F32-R60 HydrophobicContact CZ-CG 3.59Å; G36-R60 PolarHBondContact O-NH2 3.09Å; E56-R60 WeakPolarHBondContact O-CB 3.49Å; E56-R60 PolarHBondContact O-N 3.04Å; A57-R60 PolarHBondContact O-N 2.88Å; I58-R60 PolarHBondContact O-N 3.1Å; R60-I62 VanDerWaalsContact C-N 3.32Å; R60-I62 PolarHBondContact O-N 2.85Å; R60-N63 PolarHBondContact O-N 3.26Å; R60-D64 IonicContact CZ-OD2 3.55Å; R60-D64 IonicContact NE-OD2 2.78Å; R60-D64 IonicContact NH2-OD2 2.65Å; R60-D64 PolarHBondContact NH2-OD2 3.45Å; R60-D64 WeakPolarHBondContact O-CB 3.33Å; R60-D64 VanDerWaalsContact O-CG 3.32Å; R60-D64 PolarHBondContact O-N 2.76Å
61	I	98.9	Very high	98.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-46.3	174.6	-68.6	168.9	0	0	0	110.3	V31 F32 L53 A57 I58 C65 I128 F131 I135	V31-I61 HydrophobicContact CG1-CD1 3.97Å; F32-I61 HydrophobicContact CE1-CG1 4.14Å; F32-I61 HydrophobicContact CE2-CG1 4.41Å; F32-I61 HydrophobicContact CZ-CG1 3.59Å; L53-I61 HydrophobicContact CD1-CD1 3.94Å; A57-I61 WeakPolarHBondContact O-CG1 3.38Å; A57-I61 PolarHBondContact O-N 3.37Å; I58-I61 WeakPolarHBondContact O-CB 3.21Å; I58-I61 PolarHBondContact O-N 2.93Å; I58-I61 VanDerWaalsContact O-N 3.11Å; I61-C65 VanDerWaalsContact O-CB 3.31Å; I61-C65 WeakPolarHBondContact O-CB 3.37Å; I61-C65 PolarHBondContact O-N 2.89Å; I61-I128 HydrophobicContact CD1-CG2 3.96Å; I61-F131 HydrophobicContact CG2-CB 3.64Å; I61-I135 HydrophobicContact CG2-CD1 4.21Å; I61-I135 WeakPolarHBondContact O-CD1 3.48Å
62	I	98.9	Very high	98.6	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-49.9	-179.7	-65.8	165.4	0	0	0	110.6	I58 L59 R60 C65 S66 F131 V171 A174 C175 A178	I58-I62 HydrophobicContact CG2-CD1 3.76Å; I58-I62 HydrophobicContact CG2-CG1 4.41Å; I58-I62 WeakPolarHBondContact O-CG1 3.1Å; I58-I62 PolarHBondContact O-N 2.82Å; L59-I62 PolarHBondContact O-N 3.37Å; R60-I62 VanDerWaalsContact C-N 3.32Å; R60-I62 PolarHBondContact O-N 2.85Å; I62-C65 PolarHBondContact O-N 3.41Å; I62-S66 WeakPolarHBondContact O-CB 3.46Å; I62-S66 PolarHBondContact O-N 3.42Å; I62-S66 PolarHBondContact O-OG 3.07Å; I62-F131 HydrophobicContact CG1-CD2 4.28Å; I62-F131 HydrophobicContact CG1-CE2 4.46Å; I62-F131 HydrophobicContact CG2-CE2 4.47Å; I62-V171 HydrophobicContact CD1-CG1 4.19Å; I62-A174 HydrophobicContact CD1-CB 4.12Å; I62-A174 HydrophobicContact CG2-CB 3.95Å; I62-A174 WeakPolarHBondContact CG2-O 3.38Å; I62-C175 VanDerWaalsContact CD1-SG 3.51Å; I62-A178 HydrophobicContact CG2-CB 3.85Å
63	N	98.7	Very high	98.6	Very high	87 Å²	87	48.5 Å²	48.5	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-42.3	-178	-71.2	-34.1	0	0	0	113.2	L59 R60 C65 S66 A67	L59-N63 WeakPolarHBondContact O-CB 3.3Å; L59-N63 PolarHBondContact O-N 2.85Å; L59-N63 PolarHBondContact O-ND2 2.86Å; R60-N63 PolarHBondContact O-N 3.26Å; N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 2.92Å; N63-S66 PolarHBondContact O-N 2.65Å; N63-A67 PolarHBondContact O-N 3.3Å; N63-A67 VanDerWaalsContact O-N 3.09Å
64	D	98.7	Very high	98.7	Very high	56 Å²	56	49 Å²	49	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-38.2	177.7	-74	-4.5	0	0	0	110.7	R60 I135	R60-D64 IonicContact CZ-OD2 3.55Å; R60-D64 IonicContact NE-OD2 2.78Å; R60-D64 IonicContact NH2-OD2 2.65Å; R60-D64 PolarHBondContact NH2-OD2 3.45Å; R60-D64 WeakPolarHBondContact O-CB 3.33Å; R60-D64 VanDerWaalsContact O-CG 3.32Å; R60-D64 PolarHBondContact O-N 2.76Å; D64-I135 HydrophobicContact CB-CD1 3.67Å; D64-I135 HydrophobicContact CB-CG1 4.1Å
65	C	98.9	Very high	98.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-45	173.8	-173	0	0	0	0	112.2	I61 I62 N63 A67 I68 L69 F131 I135	I61-C65 VanDerWaalsContact O-CB 3.31Å; I61-C65 WeakPolarHBondContact O-CB 3.37Å; I61-C65 PolarHBondContact O-N 2.89Å; I62-C65 PolarHBondContact O-N 3.41Å; N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 2.92Å; C65-A67 VanDerWaalsContact C-N 3.26Å; C65-A67 PolarHBondContact O-N 2.99Å; C65-I68 WeakPolarHBondContact O-CA 3.42Å; C65-I68 WeakPolarHBondContact O-CB 3.29Å; C65-I68 PolarHBondContact O-N 3.48Å; C65-L69 PolarHBondContact O-N 2.88Å; C65-F131 HydrophobicContact CB-CB 3.81Å; C65-F131 HydrophobicContact CB-CD2 3.75Å; C65-F131 HydrophobicContact CB-CE2 4.43Å; C65-F131 HydrophobicContact CB-CG 3.82Å; C65-F131 VanDerWaalsContact SG-CG 3.5Å; C65-I135 HydrophobicContact CB-CD1 4.26Å; C65-I135 HydrophobicContact CB-CG1 4.15Å
66	S	98.9	Very high	98.7	Very high	15 Å²	15	45.1 Å²	45.1	11%	0.105	23%	0.234	C	C	.	.	H	α-helix	trans	-54.7	-41.1	177.6	-73.9	0	0	0	0	112.3	I62 N63 I68 L69 K70 A178 L181	I62-S66 WeakPolarHBondContact O-CB 3.46Å; I62-S66 PolarHBondContact O-N 3.42Å; I62-S66 PolarHBondContact O-OG 3.07Å; N63-S66 PolarHBondContact O-N 2.65Å; S66-I68 VanDerWaalsContact C-N 3.26Å; S66-I68 PolarHBondContact O-N 3.49Å; S66-L69 PolarHBondContact O-N 3.04Å; S66-K70 VanDerWaalsContact O-CB 3.29Å; S66-K70 WeakPolarHBondContact O-CB 3.39Å; S66-K70 PolarHBondContact O-N 3.3Å; S66-A178 WeakPolarHBondContact OG-CA 3.41Å; S66-A178 WeakPolarHBondContact OG-CB 3.2Å; S66-L181 WeakPolarHBondContact O-CD1 3.46Å
67	A	98.6	Very high	98.7	Very high	67 Å²	67	42.5 Å²	42.5	55%	0.554	22%	0.222	S	C	*	.	H	α-helix	trans	-58.8	-38	175.8	0	0	0	0	0	112.6	N63 C65	N63-A67 PolarHBondContact O-N 3.3Å; N63-A67 VanDerWaalsContact O-N 3.09Å; C65-A67 VanDerWaalsContact C-N 3.26Å; C65-A67 PolarHBondContact O-N 2.99Å
68	I	98.8	Very high	98.7	Very high	36 Å²	36	43 Å²	43	19%	0.185	23%	0.225	C	C	.	.	H	α-helix	trans	-70	-53.2	176.6	-60.9	162.3	0	0	0	109.9	C65 S66 K70 S71 E72 I135 P138	C65-I68 WeakPolarHBondContact O-CA 3.42Å; C65-I68 WeakPolarHBondContact O-CB 3.29Å; C65-I68 PolarHBondContact O-N 3.48Å; S66-I68 VanDerWaalsContact C-N 3.26Å; S66-I68 PolarHBondContact O-N 3.49Å; I68-K70 VanDerWaalsContact C-N 3.27Å; I68-K70 PolarHBondContact O-N 2.96Å; I68-S71 WeakPolarHBondContact O-CB 3.48Å; I68-S71 PolarHBondContact O-N 2.98Å; I68-S71 PolarHBondContact O-OG 2.89Å; I68-E72 PolarHBondContact O-N 2.81Å; I68-I135 HydrophobicContact CD1-CB 4.42Å; I68-I135 HydrophobicContact CD1-CG1 4.15Å; I68-P138 HydrophobicContact CD1-CB 4.24Å; I68-P138 HydrophobicContact CG2-CB 3.98Å
69	L	98.8	Very high	98.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-38.6	-177.2	-64.8	176.9	0	0	0	112.3	C65 S66 S71 E72 L181 L182 R214	C65-L69 PolarHBondContact O-N 2.88Å; S66-L69 PolarHBondContact O-N 3.04Å; L69-S71 PolarHBondContact O-N 3.48Å; L69-E72 PolarHBondContact O-N 2.92Å; L69-E72 VanDerWaalsContact O-N 3.14Å; L69-L181 HydrophobicContact CB-CB 3.75Å; L69-L182 HydrophobicContact CD1-CD2 3.77Å; L69-L182 HydrophobicContact CD1-CG 4.25Å; L69-L182 HydrophobicContact CD2-CD2 4.05Å; L69-R214 PolarHBondContact O-NH2 2.95Å
70	K	98.4	Very high	98.6	Very high	144 Å²	144	49.9 Å²	49.9	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-60.2	-32.6	175.6	-170.4	171.5	-175.7	172	0	112.9	S66 I68 E72 L181	S66-K70 VanDerWaalsContact O-CB 3.29Å; S66-K70 WeakPolarHBondContact O-CB 3.39Å; S66-K70 PolarHBondContact O-N 3.3Å; I68-K70 VanDerWaalsContact C-N 3.27Å; I68-K70 PolarHBondContact O-N 2.96Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-L181 HydrophobicContact CB-CD1 4.26Å; K70-L181 HydrophobicContact CB-CD2 4.34Å; K70-L181 HydrophobicContact CG-CD2 4.41Å
71	S	98.2	Very high	98.5	Very high	97 Å²	97	49 Å²	49	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-80	-15.5	179.8	77.5	0	0	0	0	113.7	I68 L69	I68-S71 WeakPolarHBondContact O-CB 3.48Å; I68-S71 PolarHBondContact O-N 2.98Å; I68-S71 PolarHBondContact O-OG 2.89Å; L69-S71 PolarHBondContact O-N 3.48Å
72	E	98.6	Very high	98.5	Very high	27 Å²	27	49.1 Å²	49.1	13%	0.126	27%	0.266	C	S	.	.	S	Bend	trans	-78.6	158.6	-177.7	-67.4	-173.9	138.5	0	0	112.4	I68 L69 K70 L76 K134 P183 R214	I68-E72 PolarHBondContact O-N 2.81Å; L69-E72 PolarHBondContact O-N 2.92Å; L69-E72 VanDerWaalsContact O-N 3.14Å; K70-E72 VanDerWaalsContact C-N 3.34Å; E72-L76 HydrophobicContact CB-CD2 3.94Å; E72-L76 HydrophobicContact CG-CD2 4.38Å; E72-K134 IonicContact OE1-NZ 3.97Å; E72-K134 PolarHBondContact OE1-NZ 2.78Å; E72-K134 IonicContact OE2-NZ 2.94Å; E72-P183 HydrophobicContact CB-CG 4.12Å; E72-R214 VanDerWaalsContact O-CZ 3.3Å; E72-R214 PolarHBondContact O-NH1 3.31Å; E72-R214 PolarHBondContact O-NH2 3.34Å
73	K	98.4	Very high	98.5	Very high	148 Å²	148	49.1 Å²	49.1	64%	0.643	27%	0.267	S	S	*	.			trans	-79.6	156.8	176.4	-65.8	179.9	-177.4	174.8	0	110.7	M75	K73-M75 WeakPolarHBondContact CB-O 3.39Å; K73-M75 PolarHBondContact O-N 2.93Å
74	T	98.7	Very high	98.5	Very high	16 Å²	16	45 Å²	45	10%	0.098	25%	0.245	C	C	.	.	S	Bend	trans	-62.9	-35.6	178.5	-60.5	0	0	0	0	111.7	L184 A185 I209 L212 R214	T74-L184 HydrophobicContact CG2-CB 4.16Å; T74-L184 HydrophobicContact CG2-CD1 3.92Å; T74-L184 HydrophobicContact CG2-CG 4.06Å; T74-L184 PolarHBondContact O-N 3.09Å; T74-A185 PolarHBondContact O-N 3.27Å; T74-I209 WeakPolarHBondContact CG2-O 3.36Å; T74-L212 HydrophobicContact CG2-CB 4.33Å; T74-L212 PolarHBondContact OG1-O 2.94Å; T74-R214 VanDerWaalsContact CA-NH1 3.26Å; T74-R214 HydrophobicContact CG2-CB 4.27Å; T74-R214 PolarHBondContact OG1-NH1 3.33Å; T74-R214 VanDerWaalsContact OG1-NH1 3.1Å
75	M	98.8	Very high	98.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.1	165.9	-171.5	169.9	71.1	0	0	109.6	K73 A185 L187 L193 L206 I209 R210	K73-M75 WeakPolarHBondContact CB-O 3.39Å; K73-M75 PolarHBondContact O-N 2.93Å; M75-A185 CarbonylContact C-O 3.55Å; M75-A185 VanDerWaalsContact CA-O 3.29Å; M75-A185 WeakPolarHBondContact CA-O 3.44Å; M75-A185 HydrophobicContact CB-CB 4.27Å; M75-A185 HydrophobicContact CG-CB 3.81Å; M75-A185 HydrophobicContact SD-CB 4.24Å; M75-L187 HydrophobicContact CE-CB 4.31Å; M75-L187 HydrophobicContact CE-CD2 4.32Å; M75-L187 HydrophobicContact SD-CB 4.28Å; M75-L193 HydrophobicContact SD-CD1 4.11Å; M75-L206 HydrophobicContact CE-CB 3.95Å; M75-L206 HydrophobicContact CE-CD2 4.16Å; M75-L206 HydrophobicContact CE-CG 4.49Å; M75-L206 HydrophobicContact SD-CD2 3.96Å; M75-I209 HydrophobicContact CB-CG2 4.27Å; M75-I209 HydrophobicContact SD-CG2 4.43Å; M75-R210 HydrophobicContact CB-CG 4.09Å; M75-R210 HydrophobicContact CE-CG 3.86Å; M75-R210 VanDerWaalsContact CE-NE 3.29Å
76	L	98.8	Very high	98.5	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	145.5	176.6	-56.9	178.2	0	0	0	110.3	E72 L78 F142 L144 P183 A185 A186 L187	E72-L76 HydrophobicContact CB-CD2 3.94Å; E72-L76 HydrophobicContact CG-CD2 4.38Å; L76-L78 HydrophobicContact CB-CD1 4.31Å; L76-L78 HydrophobicContact CB-CD2 4.05Å; L76-L78 HydrophobicContact CB-CG 3.99Å; L76-F142 HydrophobicContact CD1-CB 3.82Å; L76-F142 HydrophobicContact CD1-CD1 3.9Å; L76-F142 HydrophobicContact CD1-CG 4.16Å; L76-L144 HydrophobicContact CD1-CD2 3.99Å; L76-L144 HydrophobicContact CG-CD2 4.49Å; L76-P183 HydrophobicContact CD1-CB 4.23Å; L76-P183 HydrophobicContact CD1-CG 4.17Å; L76-P183 HydrophobicContact CD2-CB 4.18Å; L76-P183 HydrophobicContact CD2-CG 3.87Å; L76-P183 HydrophobicContact CG-CB 3.93Å; L76-P183 HydrophobicContact CG-CG 4.06Å; L76-A185 PolarHBondContact N-O 3.35Å; L76-A186 HydrophobicContact CB-CB 3.96Å; L76-A186 CarbonylContact O-C 3.52Å; L76-A186 WeakPolarHBondContact O-CA 3.29Å; L76-L187 PolarHBondContact O-N 2.92Å
77	E	98.6	Very high	98.5	Very high	75 Å²	75	41.7 Å²	41.7	35%	0.35	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.2	175.3	-57	-74.8	174	0	0	106.9	L187 Q190 R210	E77-L187 WeakPolarHBondContact OE2-CD2 3.37Å; E77-Q190 PolarHBondContact OE2-OE1 2.86Å; E77-Q190 VanDerWaalsContact OE2-OE1 3.07Å; E77-R210 IonicContact OE1-CZ 2.85Å; E77-R210 IonicContact OE1-NE 3.2Å; E77-R210 PolarHBondContact OE1-NE 3.45Å; E77-R210 IonicContact OE1-NH2 2.8Å; E77-R210 PolarHBondContact OE1-NH2 3.33Å
78	L	98.6	Very high	98.5	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157.4	-165.9	-57	-176.2	0	0	0	111.9	L76 I82 L111 F142 A186 L187 I188 N189	L76-L78 HydrophobicContact CB-CD1 4.31Å; L76-L78 HydrophobicContact CB-CD2 4.05Å; L76-L78 HydrophobicContact CB-CG 3.99Å; L78-I82 HydrophobicContact CB-CD1 4.29Å; L78-I82 HydrophobicContact CD1-CD1 3.81Å; L78-L111 HydrophobicContact CD1-CD1 4.02Å; L78-L111 HydrophobicContact CD1-CD2 4.3Å; L78-F142 HydrophobicContact CD1-CB 4.29Å; L78-F142 HydrophobicContact CD1-CD2 3.81Å; L78-F142 HydrophobicContact CD1-CE2 4.31Å; L78-F142 HydrophobicContact CD1-CG 3.98Å; L78-F142 HydrophobicContact CD2-CD1 3.84Å; L78-F142 HydrophobicContact CD2-CD2 3.79Å; L78-F142 HydrophobicContact CD2-CE1 3.6Å; L78-F142 HydrophobicContact CD2-CE2 3.56Å; L78-F142 HydrophobicContact CD2-CG 3.92Å; L78-F142 HydrophobicContact CD2-CZ 3.44Å; L78-F142 VanDerWaalsContact CD2-CZ 3.44Å; L78-F142 HydrophobicContact CG-CD2 4.47Å; L78-A186 HydrophobicContact CD1-CB 3.76Å; L78-A186 HydrophobicContact CG-CB 4.32Å; L78-L187 PolarHBondContact N-O 2.99Å; L78-I188 HydrophobicContact CB-CG1 4.19Å; L78-I188 CarbonylContact O-C 3.58Å; L78-I188 WeakPolarHBondContact O-CA 3.34Å; L78-N189 PolarHBondContact O-N 3.17Å
79	E	97.7	Very high	98.4	Very high	145 Å²	145	37.2 Å²	37.2	68%	0.678	19%	0.192	S	C	*	.			trans	-127.8	150.6	180	-63.9	-177.6	173.9	0	0	112.1	N189	E79-N189 VanDerWaalsContact CA-OD1 3.27Å; E79-N189 WeakPolarHBondContact CA-OD1 3.49Å
80	A	97.1	Very high	98.4	Very high	29 Å²	29	37.2 Å²	37.2	24%	0.24	19%	0.192	C	C	.	.	S	Bend	trans	-69.8	154.3	169.2	0	0	0	0	0	111.6	N189 Y321	A80-N189 PolarHBondContact N-OD1 3.32Å; A80-Y321 HydrophobicContact CB-CD1 3.74Å; A80-Y321 HydrophobicContact CB-CE1 3.79Å
81	P	97.9	Very high	98.3	Very high	62 Å²	62	31.2 Å²	31.2	40%	0.403	17%	0.167	S	C	.	.	S	Bend	cis	-70.6	143.5	-0.9	29.1	-35.2	0	0	0	112.4	R109 Y321 E322	P81-R109 WeakPolarHBondContact O-CB 3.49Å; P81-R109 PolarHBondContact O-NH1 2.96Å; P81-Y321 VanDerWaalsContact CA-O 3.29Å; P81-Y321 WeakPolarHBondContact CA-O 3.47Å; P81-E322 HydrophobicContact CB-CB 3.88Å; P81-E322 HydrophobicContact CB-CG 3.83Å
82	I	98.6	Very high	98.3	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	144	178.7	-168.4	158.3	0	0	0	111.6	L78 R109 L111 F142 I188 Y321	L78-I82 HydrophobicContact CB-CD1 4.29Å; L78-I82 HydrophobicContact CD1-CD1 3.81Å; I82-R109 HydrophobicContact CB-CG 4.29Å; I82-R109 HydrophobicContact CD1-CG 3.96Å; I82-R109 HydrophobicContact CG1-CB 4.45Å; I82-R109 HydrophobicContact CG1-CG 3.88Å; I82-L111 HydrophobicContact CD1-CB 3.85Å; I82-L111 HydrophobicContact CG1-CB 4.23Å; I82-F142 HydrophobicContact CD1-CD2 4.49Å; I82-I188 HydrophobicContact CD1-CD1 4.35Å; I82-I188 HydrophobicContact CG2-CD1 3.99Å; I82-I188 HydrophobicContact CG2-CG2 3.94Å; I82-Y321 HydrophobicContact CG2-CD1 4.37Å; I82-Y321 PolarHBondContact N-O 3.36Å; I82-Y321 PolarHBondContact O-N 3.39Å
83	T	98.8	Very high	98.3	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.5	174.4	-57.3	0	0	0	0	109	T108 R109 Y110 L111 I318 L319 K320	T83-T108 WeakPolarHBondContact OG1-CG2 3.49Å; T83-R109 PolarHBondContact N-O 3.43Å; T83-Y110 HydrophobicContact CG2-CD1 3.91Å; T83-Y110 HydrophobicContact CG2-CE1 3.54Å; T83-Y110 CarbonylContact O-C 3.54Å; T83-Y110 VanDerWaalsContact O-CA 3.31Å; T83-Y110 WeakPolarHBondContact O-CA 3.46Å; T83-L111 PolarHBondContact O-N 3.35Å; T83-I318 HydrophobicContact CG2-CB 4.13Å; T83-I318 HydrophobicContact CG2-CD1 3.92Å; T83-I318 HydrophobicContact CG2-CG1 4.4Å; T83-L319 CarbonylContact C-O 3.57Å; T83-L319 WeakPolarHBondContact CA-O 3.24Å; T83-K320 HydrophobicContact CG2-CG 4.06Å
84	I	98.9	Very high	98.3	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129	-177.7	-49.6	173	0	0	0	108.9	L111 L113 I188 I275 I318 L319	I84-L111 CarbonylContact C-O 3.3Å; I84-L111 VanDerWaalsContact CA-O 3.3Å; I84-L111 WeakPolarHBondContact CA-O 3.47Å; I84-L111 HydrophobicContact CG2-CD2 4.45Å; I84-L113 HydrophobicContact CG2-CD1 3.72Å; I84-L113 HydrophobicContact CG2-CD2 3.92Å; I84-L113 HydrophobicContact CG2-CG 3.79Å; I84-I188 HydrophobicContact CD1-CD1 3.53Å; I84-I188 HydrophobicContact CG1-CD1 4.03Å; I84-I275 HydrophobicContact CD1-CD1 3.53Å; I84-I275 HydrophobicContact CD1-CG2 4.28Å; I84-I275 HydrophobicContact CG2-CG2 4.23Å; I84-I318 WeakPolarHBondContact O-CA 3.16Å; I84-L319 HydrophobicContact CB-CB 4.35Å; I84-L319 HydrophobicContact CD1-CD2 4.13Å; I84-L319 PolarHBondContact N-O 3.36Å; I84-L319 PolarHBondContact O-N 2.79Å
85	C	98.9	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136	-178.1	-53.2	0	0	0	0	109.5	L98 L111 F112 L113 I318	C85-L98 HydrophobicContact CB-CD1 4.07Å; C85-L111 PolarHBondContact N-O 3.03Å; C85-F112 HydrophobicContact CB-CD1 3.45Å; C85-F112 VanDerWaalsContact CB-CD1 3.45Å; C85-F112 HydrophobicContact CB-CE1 3.64Å; C85-F112 HydrophobicContact CB-CG 3.95Å; C85-F112 HydrophobicContact CB-CZ 4.28Å; C85-L113 WeakPolarHBondContact O-CB 3.28Å; C85-L113 WeakPolarHBondContact O-CG 3.44Å; C85-L113 PolarHBondContact O-N 2.95Å; C85-I318 HydrophobicContact CB-CG2 4.42Å
86	G	98.8	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.			trans	-85.8	-151.4	172.3	0	0	0	0	0	112	I302 S304	G86-I302 WeakPolarHBondContact CA-O 3.48Å; G86-S304 PolarHBondContact N-OG 3.21Å
87	D	98.8	Very high	98.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.113	C	C	.	.			trans	-58.9	145.4	-176.7	-45.7	41.7	0	0	0	111.9	H89 D115 H196 A277 H278 F303 S304 A305	D87-H89 IonicContact OD2-NE2 2.7Å; D87-D115 HydrophobicContact CB-CB 4.04Å; D87-H196 IonicContact OD2-CE1 3.65Å; D87-A277 WeakPolarHBondContact OD1-CB 3.39Å; D87-H278 PolarHBondContact OD1-N 2.91Å; D87-H278 VanDerWaalsContact OD2-CA 3.28Å; D87-H278 WeakPolarHBondContact OD2-CA 3.14Å; D87-H278 PolarHBondContact OD2-N 3.01Å; D87-F303 HydrophobicContact CB-CD2 3.73Å; D87-F303 HydrophobicContact CB-CE2 3.46Å; D87-F303 VanDerWaalsContact CB-CE2 3.46Å; D87-F303 HydrophobicContact CB-CZ 4.16Å; D87-F303 VanDerWaalsContact CG-CD2 3.47Å; D87-F303 WeakPolarHBondContact OD1-CD2 3.33Å; D87-F303 WeakPolarHBondContact OD2-CE2 3.47Å; D87-S304 CarbonylContact O-C 3.14Å; D87-S304 WeakPolarHBondContact O-CA 3.07Å; D87-S304 WeakPolarHBondContact O-CB 3.44Å; D87-S304 PolarHBondContact O-N 3.22Å; D87-A305 PolarHBondContact O-N 2.94Å; D87-A305 VanDerWaalsContact O-N 3.09Å
88	I	98.6	Very high	98.2	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.096	C	C	.	.			trans	-121.1	-36.5	-179.1	-54.7	-61.7	0	0	0	112.1	G90 Q91 L95 L98 F112 D115 Y116	I88-G90 PolarHBondContact O-N 3.15Å; I88-Q91 WeakPolarHBondContact O-CB 3.32Å; I88-Q91 PolarHBondContact O-N 3.07Å; I88-L95 HydrophobicContact CD1-CD1 4.09Å; I88-L95 HydrophobicContact CG1-CD1 4.48Å; I88-L95 HydrophobicContact CG2-CB 4.08Å; I88-L95 HydrophobicContact CG2-CD1 4.5Å; I88-L98 HydrophobicContact CD1-CD1 3.91Å; I88-F112 HydrophobicContact CD1-CD1 4.29Å; I88-F112 HydrophobicContact CD1-CE1 4.11Å; I88-F112 HydrophobicContact CG1-CD1 4.22Å; I88-F112 HydrophobicContact CG1-CE1 4.37Å; I88-D115 PolarHBondContact N-O 3.1Å; I88-Y116 HydrophobicContact CG1-CD1 4.5Å
89	H	97	Very high	98.2	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.023	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	49.7	172.6	-75.3	-53.9	0	0	0	115.3	D87 Q91 D115 V117 D118 R119 G120 H148 Y308	D87-H89 IonicContact OD2-NE2 2.7Å; H89-Q91 PolarHBondContact O-N 3.25Å; H89-Q91 VanDerWaalsContact O-N 3.08Å; H89-D115 IonicContact CE1-OD2 2.79Å; H89-D115 PolarHBondContact N-O 3.46Å; H89-D115 IonicContact NE2-OD2 2.74Å; H89-V117 PolarHBondContact ND1-O 3.5Å; H89-D118 CarbonylContact C-O 3.42Å; H89-D118 VanDerWaalsContact CA-O 3.32Å; H89-D118 WeakPolarHBondContact CA-O 3.2Å; H89-R119 HydrophobicContact CB-CB 4.07Å; H89-G120 VanDerWaalsContact O-CA 3.3Å; H89-G120 WeakPolarHBondContact O-CA 3.44Å; H89-G120 PolarHBondContact O-N 3.34Å; H89-G120 VanDerWaalsContact O-N 3.13Å; H89-H148 AromaticContact CE1-CD2 3.55Å; H89-H148 AromaticContact CE1-NE2 3.66Å; H89-Y308 HydrophobicContact CB-CD2 4.36Å; H89-Y308 HydrophobicContact CB-CE2 3.79Å; H89-Y308 AromaticContact CD2-CE2 3.43Å; H89-Y308 VanDerWaalsContact CD2-CE2 3.43Å; H89-Y308 WeakPolarHBondContact CD2-CE2 3.47Å; H89-Y308 AromaticContact CD2-CZ 3.8Å; H89-Y308 AromaticContact CG-CE2 3.71Å
90	G	97.3	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	19.1	177.2	0	0	0	0	0	115.1	I88 F92 Y116 F122	I88-G90 PolarHBondContact O-N 3.15Å; G90-F92 VanDerWaalsContact C-N 3.31Å; G90-F92 PolarHBondContact O-N 3.3Å; G90-Y116 PolarHBondContact N-O 2.75Å; G90-F122 CarbonylContact O-C 3.52Å; G90-F122 VanDerWaalsContact O-CA 3.31Å; G90-F122 WeakPolarHBondContact O-CA 3.47Å; G90-F122 VanDerWaalsContact O-CB 3.23Å; G90-F122 WeakPolarHBondContact O-CB 3.5Å; G90-F122 PolarHBondContact O-N 3.15Å
91	Q	97.2	Very high	98.2	Very high	19 Å²	19	17.4 Å²	17.4	9%	0.089	9%	0.086	C	C	.	.			trans	-87.6	65.8	173.9	-64.5	-175.9	-117.9	0	0	111	I88 H89 Y93 D94 L95 P306	I88-Q91 WeakPolarHBondContact O-CB 3.32Å; I88-Q91 PolarHBondContact O-N 3.07Å; H89-Q91 PolarHBondContact O-N 3.25Å; H89-Q91 VanDerWaalsContact O-N 3.08Å; Q91-Y93 VanDerWaalsContact C-N 3.29Å; Q91-Y93 PolarHBondContact O-N 3.43Å; Q91-D94 HydrophobicContact CB-CB 4.02Å; Q91-D94 PolarHBondContact NE2-OD2 2.86Å; Q91-D94 PolarHBondContact O-N 3.18Å; Q91-L95 PolarHBondContact O-N 3.12Å; Q91-P306 PolarHBondContact NE2-O 3.1Å
92	F	98.4	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-54.1	-39.5	-173.9	173.3	-108.4	0	0	0	114.2	L47 I48 G90 D94 L95 M96 F122 E125 C126 Y129	L47-F92 HydrophobicContact CB-CE1 3.65Å; L47-F92 HydrophobicContact CB-CE2 4.38Å; L47-F92 HydrophobicContact CB-CZ 3.54Å; L47-F92 HydrophobicContact CD1-CE2 4.08Å; L47-F92 HydrophobicContact CD1-CZ 4.01Å; L47-F92 HydrophobicContact CG-CZ 4.43Å; I48-F92 HydrophobicContact CG1-CE1 3.79Å; I48-F92 HydrophobicContact CG1-CZ 4.26Å; G90-F92 VanDerWaalsContact C-N 3.31Å; G90-F92 PolarHBondContact O-N 3.3Å; F92-D94 VanDerWaalsContact C-N 3.33Å; F92-D94 PolarHBondContact O-N 2.81Å; F92-L95 WeakPolarHBondContact O-CB 3.32Å; F92-L95 PolarHBondContact O-N 2.79Å; F92-M96 HydrophobicContact CD2-CE 3.79Å; F92-M96 HydrophobicContact CE1-CG 4.19Å; F92-M96 HydrophobicContact CE2-CE 3.3Å; F92-M96 HydrophobicContact CE2-CG 4.31Å; F92-M96 HydrophobicContact CE2-SD 3.84Å; F92-M96 HydrophobicContact CZ-CE 3.86Å; F92-M96 HydrophobicContact CZ-CG 3.99Å; F92-M96 HydrophobicContact CZ-SD 3.73Å; F92-M96 WeakPolarHBondContact O-CG 3.39Å; F92-M96 PolarHBondContact O-N 2.82Å; F92-F122 HydrophobicContact CB-CB 3.53Å; F92-F122 HydrophobicContact CB-CG 4.35Å; F92-E125 HydrophobicContact CB-CB 3.92Å; F92-E125 HydrophobicContact CD1-CB 4.08Å; F92-E125 HydrophobicContact CD2-CB 3.71Å; F92-E125 HydrophobicContact CE2-CB 4.26Å; F92-E125 HydrophobicContact CG-CB 3.62Å; F92-C126 VanDerWaalsContact CA-SG 3.58Å; F92-Y129 HydrophobicContact CE2-CD2 4.08Å; F92-Y129 AromaticContact CE2-CG 3.95Å; F92-Y129 HydrophobicContact CE2-CG 3.95Å; F92-Y129 HydrophobicContact CZ-CD2 4.46Å
93	Y	98.2	Very high	98.1	Very high	25 Å²	25	14.9 Å²	14.9	10%	0.098	7%	0.072	C	C	.	.	H	α-helix	trans	-67.4	-36.4	179.5	-64	-96.2	0	0	0	111.8	I48 Q91 M96 K97 F122 H336 P337	I48-Y93 HydrophobicContact CG2-CE1 4.3Å; I48-Y93 PolarHBondContact O-OH 3.14Å; Q91-Y93 VanDerWaalsContact C-N 3.29Å; Q91-Y93 PolarHBondContact O-N 3.43Å; Y93-M96 WeakPolarHBondContact O-CB 3.42Å; Y93-M96 PolarHBondContact O-N 2.77Å; Y93-K97 PolarHBondContact O-N 3.42Å; Y93-K97 VanDerWaalsContact O-N 3.1Å; Y93-F122 HydrophobicContact CD2-CD2 4.14Å; Y93-F122 HydrophobicContact CD2-CE2 4.11Å; Y93-F122 HydrophobicContact CD2-CG 4.46Å; Y93-F122 HydrophobicContact CD2-CZ 4.4Å; Y93-F122 AromaticContact CE2-CD1 3.93Å; Y93-F122 HydrophobicContact CE2-CD1 3.93Å; Y93-F122 HydrophobicContact CE2-CD2 4.04Å; Y93-F122 AromaticContact CE2-CE1 3.74Å; Y93-F122 HydrophobicContact CE2-CE1 3.74Å; Y93-F122 AromaticContact CE2-CE2 3.86Å; Y93-F122 HydrophobicContact CE2-CE2 3.86Å; Y93-F122 HydrophobicContact CE2-CG 4.07Å; Y93-F122 AromaticContact CE2-CZ 3.7Å; Y93-F122 HydrophobicContact CE2-CZ 3.7Å; Y93-H336 HydrophobicContact CD1-CB 4.3Å; Y93-H336 HydrophobicContact CD2-CB 3.3Å; Y93-H336 HydrophobicContact CE2-CB 3.74Å; Y93-H336 HydrophobicContact CG-CB 3.64Å; Y93-P337 HydrophobicContact CE2-CG 4.44Å; Y93-P337 WeakPolarHBondContact OH-CD 3.42Å; Y93-P337 VanDerWaalsContact OH-CG 3.31Å; Y93-P337 WeakPolarHBondContact OH-CG 3.16Å
94	D	98.3	Very high	98	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-73.4	-31.5	173.6	-63.4	-47.5	0	0	0	112.1	Q91 F92 M96 K97 L98 P306 C333 S334	Q91-D94 HydrophobicContact CB-CB 4.02Å; Q91-D94 PolarHBondContact NE2-OD2 2.86Å; Q91-D94 PolarHBondContact O-N 3.18Å; F92-D94 VanDerWaalsContact C-N 3.33Å; F92-D94 PolarHBondContact O-N 2.81Å; D94-M96 VanDerWaalsContact C-N 3.33Å; D94-K97 CarbonylContact O-C 3.38Å; D94-K97 WeakPolarHBondContact O-CA 3.28Å; D94-K97 WeakPolarHBondContact O-CB 3.23Å; D94-K97 PolarHBondContact O-N 2.68Å; D94-K97 VanDerWaalsContact O-N 3.17Å; D94-L98 WeakPolarHBondContact O-CB 3.48Å; D94-L98 PolarHBondContact O-N 3.19Å; D94-P306 HydrophobicContact CB-CG 3.84Å; D94-P306 VanDerWaalsContact CG-CG 3.44Å; D94-C333 VanDerWaalsContact OD1-CA 3.27Å; D94-C333 WeakPolarHBondContact OD1-CA 3.35Å; D94-S334 WeakPolarHBondContact OD1-CB 3.31Å; D94-S334 PolarHBondContact OD1-N 2.76Å; D94-S334 PolarHBondContact OD1-OG 3.18Å
95	L	98.5	Very high	97.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-40.2	169.4	176.6	64.8	0	0	0	111.4	I88 Q91 F92 K97 L98 F99 F112 C126 L130	I88-L95 HydrophobicContact CD1-CD1 4.09Å; I88-L95 HydrophobicContact CG1-CD1 4.48Å; I88-L95 HydrophobicContact CG2-CB 4.08Å; I88-L95 HydrophobicContact CG2-CD1 4.5Å; Q91-L95 PolarHBondContact O-N 3.12Å; F92-L95 WeakPolarHBondContact O-CB 3.32Å; F92-L95 PolarHBondContact O-N 2.79Å; L95-K97 VanDerWaalsContact C-N 3.3Å; L95-K97 PolarHBondContact O-N 2.84Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-F99 HydrophobicContact CD1-CD2 4.36Å; L95-F99 HydrophobicContact CD1-CE2 3.62Å; L95-F99 HydrophobicContact CD1-CZ 4.01Å; L95-F99 HydrophobicContact CD2-CE2 4.4Å; L95-F99 HydrophobicContact CG-CD2 4.36Å; L95-F99 HydrophobicContact CG-CE2 3.77Å; L95-F99 WeakPolarHBondContact O-CD2 3.31Å; L95-F99 PolarHBondContact O-N 3.35Å; L95-F112 HydrophobicContact CD1-CE1 3.77Å; L95-F112 HydrophobicContact CD1-CZ 4.09Å; L95-C126 HydrophobicContact CD2-CB 4.35Å; L95-L130 HydrophobicContact CD1-CD2 4.13Å; L95-L130 HydrophobicContact CD2-CD1 4.27Å; L95-L130 HydrophobicContact CD2-CD2 4.11Å; L95-L130 HydrophobicContact CD2-CG 3.91Å
96	M	98.3	Very high	97.8	Very high	21 Å²	21	24.2 Å²	24.2	10%	0.103	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-43.2	172.5	-62.1	-52.4	92.4	0	0	110.5	I48 F92 Y93 D94 L98 F99 E100 Y129	I48-M96 HydrophobicContact CD1-CG 4.1Å; I48-M96 HydrophobicContact CG1-CG 4.21Å; F92-M96 HydrophobicContact CD2-CE 3.79Å; F92-M96 HydrophobicContact CE1-CG 4.19Å; F92-M96 HydrophobicContact CE2-CE 3.3Å; F92-M96 HydrophobicContact CE2-CG 4.31Å; F92-M96 HydrophobicContact CE2-SD 3.84Å; F92-M96 HydrophobicContact CZ-CE 3.86Å; F92-M96 HydrophobicContact CZ-CG 3.99Å; F92-M96 HydrophobicContact CZ-SD 3.73Å; F92-M96 WeakPolarHBondContact O-CG 3.39Å; F92-M96 PolarHBondContact O-N 2.82Å; Y93-M96 WeakPolarHBondContact O-CB 3.42Å; Y93-M96 PolarHBondContact O-N 2.77Å; D94-M96 VanDerWaalsContact C-N 3.33Å; M96-L98 VanDerWaalsContact C-N 3.3Å; M96-L98 PolarHBondContact O-N 2.86Å; M96-F99 HydrophobicContact CE-CD2 4.27Å; M96-F99 HydrophobicContact CE-CE2 4.36Å; M96-F99 PolarHBondContact O-N 3.41Å; M96-E100 PolarHBondContact O-N 2.84Å; M96-Y129 HydrophobicContact CE-CD1 3.45Å; M96-Y129 VanDerWaalsContact CE-CD1 3.45Å; M96-Y129 HydrophobicContact CE-CD2 4.27Å; M96-Y129 HydrophobicContact CE-CE1 3.44Å; M96-Y129 VanDerWaalsContact CE-CE1 3.44Å; M96-Y129 HydrophobicContact CE-CE2 4.29Å; M96-Y129 HydrophobicContact CE-CG 3.86Å; M96-Y129 HydrophobicContact SD-CD1 4.37Å; M96-Y129 HydrophobicContact SD-CD2 4.42Å; M96-Y129 HydrophobicContact SD-CE1 3.91Å; M96-Y129 HydrophobicContact SD-CE2 4.01Å
97	K	98.1	Very high	97.7	Very high	56 Å²	56	29.8 Å²	29.8	24%	0.243	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-36.4	176.4	-170.7	61.8	-177.2	175.6	0	113	Y93 D94 L95 F99 E100 V101 F331 S334	Y93-K97 PolarHBondContact O-N 3.42Å; Y93-K97 VanDerWaalsContact O-N 3.1Å; D94-K97 CarbonylContact O-C 3.38Å; D94-K97 WeakPolarHBondContact O-CA 3.28Å; D94-K97 WeakPolarHBondContact O-CB 3.23Å; D94-K97 PolarHBondContact O-N 2.68Å; D94-K97 VanDerWaalsContact O-N 3.17Å; L95-K97 VanDerWaalsContact C-N 3.3Å; L95-K97 PolarHBondContact O-N 2.84Å; K97-F99 VanDerWaalsContact C-N 3.31Å; K97-F99 PolarHBondContact O-N 3.5Å; K97-E100 VanDerWaalsContact CD-OE2 3.29Å; K97-E100 WeakPolarHBondContact CD-OE2 3.42Å; K97-E100 IonicContact NZ-OE2 3.3Å; K97-E100 PolarHBondContact NZ-OE2 2.84Å; K97-E100 WeakPolarHBondContact O-CB 3.3Å; K97-E100 PolarHBondContact O-N 2.85Å; K97-V101 HydrophobicContact CG-CG2 4.45Å; K97-V101 VanDerWaalsContact O-CG2 3.31Å; K97-V101 WeakPolarHBondContact O-CG2 3.44Å; K97-V101 PolarHBondContact O-N 2.84Å; K97-F331 HydrophobicContact CB-CD2 4.42Å; K97-F331 HydrophobicContact CG-CD2 3.96Å; K97-S334 WeakPolarHBondContact CB-OG 3.46Å
98	L	98.6	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.3	-43.1	175.5	177.5	156.6	0	0	0	111.3	C85 I88 D94 L95 M96 V101 G102 Y110 F112 I318 F331	C85-L98 HydrophobicContact CB-CD1 4.07Å; I88-L98 HydrophobicContact CD1-CD1 3.91Å; D94-L98 WeakPolarHBondContact O-CB 3.48Å; D94-L98 PolarHBondContact O-N 3.19Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 PolarHBondContact O-N 3.39Å; M96-L98 VanDerWaalsContact C-N 3.3Å; M96-L98 PolarHBondContact O-N 2.86Å; L98-V101 PolarHBondContact O-N 3.23Å; L98-G102 PolarHBondContact O-N 3.27Å; L98-Y110 HydrophobicContact CD2-CE1 3.98Å; L98-F112 HydrophobicContact CD1-CE1 4.26Å; L98-F112 HydrophobicContact CD2-CE1 4.26Å; L98-F112 HydrophobicContact CD2-CZ 4.06Å; L98-I318 HydrophobicContact CD1-CG2 3.78Å; L98-I318 HydrophobicContact CG-CG2 3.82Å; L98-F331 HydrophobicContact CB-CE1 4.38Å; L98-F331 HydrophobicContact CB-CE2 4.45Å; L98-F331 HydrophobicContact CB-CZ 3.86Å; L98-F331 HydrophobicContact CD1-CZ 4.31Å; L98-F331 HydrophobicContact CG-CZ 4.34Å
99	F	98.3	Very high	97.7	Very high	15 Å²	15	34.3 Å²	34.3	7%	0.066	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-34.6	176.8	-68.1	-59.4	0	0	0	112.6	L95 M96 K97 V101 G103 P105 Y110 F112 Y129 L130 L133	L95-F99 HydrophobicContact CD1-CD2 4.36Å; L95-F99 HydrophobicContact CD1-CE2 3.62Å; L95-F99 HydrophobicContact CD1-CZ 4.01Å; L95-F99 HydrophobicContact CD2-CE2 4.4Å; L95-F99 HydrophobicContact CG-CD2 4.36Å; L95-F99 HydrophobicContact CG-CE2 3.77Å; L95-F99 WeakPolarHBondContact O-CD2 3.31Å; L95-F99 PolarHBondContact O-N 3.35Å; M96-F99 HydrophobicContact CE-CD2 4.27Å; M96-F99 HydrophobicContact CE-CE2 4.36Å; M96-F99 PolarHBondContact O-N 3.41Å; K97-F99 VanDerWaalsContact C-N 3.31Å; K97-F99 PolarHBondContact O-N 3.5Å; F99-V101 VanDerWaalsContact C-N 3.32Å; F99-V101 PolarHBondContact O-N 2.98Å; F99-G103 CarbonylContact O-C 3.35Å; F99-G103 VanDerWaalsContact O-C 3.3Å; F99-G103 WeakPolarHBondContact O-CA 3.32Å; F99-G103 PolarHBondContact O-N 3.49Å; F99-G103 VanDerWaalsContact O-O 3.11Å; F99-P105 HydrophobicContact CD1-CG 3.59Å; F99-P105 HydrophobicContact CE1-CG 3.81Å; F99-P105 HydrophobicContact CG-CG 4.22Å; F99-Y110 HydrophobicContact CD1-CE1 4.37Å; F99-Y110 HydrophobicContact CD1-CE2 4.04Å; F99-Y110 AromaticContact CD1-CZ 3.88Å; F99-Y110 HydrophobicContact CE1-CD2 4.35Å; F99-Y110 HydrophobicContact CE1-CE1 4.4Å; F99-Y110 HydrophobicContact CE1-CE2 4.19Å; F99-F112 HydrophobicContact CE1-CE2 4.29Å; F99-F112 AromaticContact CE1-CZ 3.86Å; F99-F112 HydrophobicContact CE1-CZ 3.86Å; F99-F112 HydrophobicContact CZ-CE2 4.24Å; F99-F112 AromaticContact CZ-CZ 3.67Å; F99-F112 HydrophobicContact CZ-CZ 3.67Å; F99-Y129 AromaticContact CD2-CE1 3.92Å; F99-Y129 HydrophobicContact CD2-CE1 3.92Å; F99-Y129 AromaticContact CE2-CD1 3.97Å; F99-Y129 HydrophobicContact CE2-CD1 3.97Å; F99-Y129 AromaticContact CE2-CE1 3.65Å; F99-Y129 HydrophobicContact CE2-CE1 3.65Å; F99-L130 HydrophobicContact CZ-CD2 4.12Å; F99-L133 HydrophobicContact CE1-CD1 3.99Å; F99-L133 HydrophobicContact CE2-CD1 3.65Å; F99-L133 HydrophobicContact CZ-CD1 3.3Å
100	E	97.5	Very high	97.8	Very high	135 Å²	135	34.1 Å²	34.1	63%	0.631	18%	0.176	S	C	*	.	H	α-helix	trans	-62	-39.2	171.1	-63.8	178.7	-171.2	0	0	112.3	M96 K97	M96-E100 PolarHBondContact O-N 2.84Å; K97-E100 VanDerWaalsContact CD-OE2 3.29Å; K97-E100 WeakPolarHBondContact CD-OE2 3.42Å; K97-E100 IonicContact NZ-OE2 3.3Å; K97-E100 PolarHBondContact NZ-OE2 2.84Å; K97-E100 WeakPolarHBondContact O-CB 3.3Å; K97-E100 PolarHBondContact O-N 2.85Å
101	V	97.6	Very high	97.8	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.067	18%	0.176	C	C	.	.	H	α-helix	trans	-81.1	-39.1	-175.8	174.5	0	0	0	0	112.2	K97 L98 F99 I318 R329 F331 T629	K97-V101 HydrophobicContact CG-CG2 4.45Å; K97-V101 VanDerWaalsContact O-CG2 3.31Å; K97-V101 WeakPolarHBondContact O-CG2 3.44Å; K97-V101 PolarHBondContact O-N 2.84Å; L98-V101 PolarHBondContact O-N 3.23Å; F99-V101 VanDerWaalsContact C-N 3.32Å; F99-V101 PolarHBondContact O-N 2.98Å; V101-I318 HydrophobicContact CG1-CD1 4.11Å; V101-R329 HydrophobicContact CG1-CB 3.83Å; V101-R329 WeakPolarHBondContact O-CD 3.47Å; V101-R329 PolarHBondContact O-NH1 2.82Å; V101-F331 HydrophobicContact CG1-CD1 4.33Å; V101-F331 HydrophobicContact CG2-CB 3.92Å; V101-F331 HydrophobicContact CG2-CD1 4.47Å; V101-F331 HydrophobicContact CG2-CG 4.26Å; V101-T629 HydrophobicContact CG1-CG2 4.41Å
102	G	97.4	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-79.9	-38.3	-178.5	0	0	0	0	0	113.4	L98 Y110 K320	L98-G102 PolarHBondContact O-N 3.27Å; G102-Y110 VanDerWaalsContact CA-OH 3.26Å; G102-Y110 WeakPolarHBondContact CA-OH 3.4Å; G102-K320 PolarHBondContact O-NZ 3.22Å
103	G	97.1	Very high	97.9	Very high	13 Å²	13	33.2 Å²	33.2	13%	0.134	17%	0.171	C	C	.	.			trans	125.5	162.8	-177	0	0	0	0	0	112.9	F99 Y110	F99-G103 CarbonylContact O-C 3.35Å; F99-G103 VanDerWaalsContact O-C 3.3Å; F99-G103 WeakPolarHBondContact O-CA 3.32Å; F99-G103 PolarHBondContact O-N 3.49Å; F99-G103 VanDerWaalsContact O-O 3.11Å; G103-Y110 PolarHBondContact N-OH 3.26Å; G103-Y110 VanDerWaalsContact N-OH 3.15Å; G103-Y110 PolarHBondContact O-OH 2.83Å
104	P	96.8	Very high	98	Very high	71 Å²	71	32 Å²	32	46%	0.461	17%	0.167	S	C	.	.			trans	-63.4	131.1	-178.7	15.8	-21	0	0	0	111.6	E106 T107 T108	P104-E106 WeakPolarHBondContact CB-OE2 3.48Å; P104-E106 PolarHBondContact O-N 2.88Å; P104-E106 VanDerWaalsContact O-N 3.12Å; P104-T107 PolarHBondContact O-N 2.88Å; P104-T107 PolarHBondContact O-OG1 3.1Å; P104-T108 WeakPolarHBondContact O-CB 3.43Å; P104-T108 PolarHBondContact O-N 3.14Å; P104-T108 PolarHBondContact O-OG1 2.87Å
105	P	96.7	Very high	98	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.071	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23	179.9	-27.5	36.6	0	0	0	115.2	F99 T107 Y110 L133	F99-P105 HydrophobicContact CD1-CG 3.59Å; F99-P105 HydrophobicContact CE1-CG 3.81Å; F99-P105 HydrophobicContact CG-CG 4.22Å; P105-T107 PolarHBondContact O-N 3.4Å; P105-Y110 HydrophobicContact CG-CE2 4.45Å; P105-L133 HydrophobicContact CB-CD2 3.53Å; P105-L133 HydrophobicContact CG-CD1 4.35Å; P105-L133 HydrophobicContact CG-CD2 3.64Å
106	E	95.9	Very high	98	Very high	117 Å²	117	32 Å²	32	55%	0.547	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.5	177.4	-58.8	78.6	-175.9	0	0	112.5	P104	P104-E106 WeakPolarHBondContact CB-OE2 3.48Å; P104-E106 PolarHBondContact O-N 2.88Å; P104-E106 VanDerWaalsContact O-N 3.12Å
107	T	97	Very high	98	Very high	117 Å²	117	31 Å²	31	72%	0.718	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-8	-176.3	62	0	0	0	0	113.4	P104 P105	P104-T107 PolarHBondContact O-N 2.88Å; P104-T107 PolarHBondContact O-OG1 3.1Å; P105-T107 PolarHBondContact O-N 3.4Å
108	T	98.1	Very high	97.8	Very high	22 Å²	22	28.3 Å²	28.3	14%	0.135	15%	0.15	C	C	.	.	S	Bend	trans	-116.9	127.5	-177.3	-55.3	0	0	0	0	109.8	T83 P104 Y110	T83-T108 WeakPolarHBondContact OG1-CG2 3.49Å; P104-T108 WeakPolarHBondContact O-CB 3.43Å; P104-T108 PolarHBondContact O-N 3.14Å; P104-T108 PolarHBondContact O-OG1 2.87Å; T108-Y110 HydrophobicContact CG2-CD2 4.04Å; T108-Y110 HydrophobicContact CG2-CE2 3.51Å; T108-Y110 VanDerWaalsContact O-CD2 3.31Å; T108-Y110 WeakPolarHBondContact O-CD2 3.26Å
109	R	98.7	Very high	97.3	Very high	78 Å²	78	29.7 Å²	29.7	29%	0.294	16%	0.155	S	C	.	.			trans	-79	134.2	172.5	-177	178	-72.3	99.4	1.8	110.1	P81 I82 T83 S140 F142	P81-R109 WeakPolarHBondContact O-CB 3.49Å; P81-R109 PolarHBondContact O-NH1 2.96Å; I82-R109 HydrophobicContact CB-CG 4.29Å; I82-R109 HydrophobicContact CD1-CG 3.96Å; I82-R109 HydrophobicContact CG1-CB 4.45Å; I82-R109 HydrophobicContact CG1-CG 3.88Å; T83-R109 PolarHBondContact N-O 3.43Å; R109-S140 CarbonylContact C-O 3.57Å; R109-S140 WeakPolarHBondContact CA-O 3.28Å; R109-S140 VanDerWaalsContact CG-O 3.28Å; R109-S140 WeakPolarHBondContact CG-O 3.39Å; R109-F142 HydrophobicContact CG-CD2 4.28Å; R109-F142 HydrophobicContact CG-CE2 3.82Å
110	Y	98.9	Very high	96.7	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.9	-177.8	-80.3	-82.7	0	0	0	111.9	T83 L98 F99 G102 G103 P105 T108 F112 S140 F142	T83-Y110 HydrophobicContact CG2-CD1 3.91Å; T83-Y110 HydrophobicContact CG2-CE1 3.54Å; T83-Y110 CarbonylContact O-C 3.54Å; T83-Y110 VanDerWaalsContact O-CA 3.31Å; T83-Y110 WeakPolarHBondContact O-CA 3.46Å; L98-Y110 HydrophobicContact CD2-CE1 3.98Å; F99-Y110 HydrophobicContact CD1-CE1 4.37Å; F99-Y110 HydrophobicContact CD1-CE2 4.04Å; F99-Y110 AromaticContact CD1-CZ 3.88Å; F99-Y110 HydrophobicContact CE1-CD2 4.35Å; F99-Y110 HydrophobicContact CE1-CE1 4.4Å; F99-Y110 HydrophobicContact CE1-CE2 4.19Å; G102-Y110 VanDerWaalsContact CA-OH 3.26Å; G102-Y110 WeakPolarHBondContact CA-OH 3.4Å; G103-Y110 PolarHBondContact N-OH 3.26Å; G103-Y110 VanDerWaalsContact N-OH 3.15Å; G103-Y110 PolarHBondContact O-OH 2.83Å; P105-Y110 HydrophobicContact CG-CE2 4.45Å; T108-Y110 HydrophobicContact CG2-CD2 4.04Å; T108-Y110 HydrophobicContact CG2-CE2 3.51Å; T108-Y110 VanDerWaalsContact O-CD2 3.31Å; T108-Y110 WeakPolarHBondContact O-CD2 3.26Å; Y110-F112 HydrophobicContact CD1-CE2 4.18Å; Y110-F112 HydrophobicContact CD1-CZ 4.42Å; Y110-F112 HydrophobicContact CG-CE2 4.24Å; Y110-S140 PolarHBondContact N-O 2.84Å; Y110-F142 WeakPolarHBondContact O-CD2 3.29Å; Y110-F142 PolarHBondContact O-N 3.39Å
111	L	98.9	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.2	164.8	174.4	67.1	0	0	0	107.9	L78 I82 T83 I84 C85 L113 F142 L144 A186 I188 C194	L78-L111 HydrophobicContact CD1-CD1 4.02Å; L78-L111 HydrophobicContact CD1-CD2 4.3Å; I82-L111 HydrophobicContact CD1-CB 3.85Å; I82-L111 HydrophobicContact CG1-CB 4.23Å; T83-L111 PolarHBondContact O-N 3.35Å; I84-L111 CarbonylContact C-O 3.3Å; I84-L111 VanDerWaalsContact CA-O 3.3Å; I84-L111 WeakPolarHBondContact CA-O 3.47Å; I84-L111 HydrophobicContact CG2-CD2 4.45Å; C85-L111 PolarHBondContact N-O 3.03Å; L111-L113 HydrophobicContact CD2-CD2 3.97Å; L111-L113 HydrophobicContact CG-CD2 4.11Å; L111-F142 WeakPolarHBondContact CA-O 3.41Å; L111-F142 HydrophobicContact CD1-CB 3.71Å; L111-L144 HydrophobicContact CD1-CD1 4.16Å; L111-L144 HydrophobicContact CD1-CD2 4.13Å; L111-L144 HydrophobicContact CD1-CG 3.8Å; L111-A186 HydrophobicContact CD1-CB 4.05Å; L111-A186 HydrophobicContact CD2-CB 3.86Å; L111-I188 HydrophobicContact CD2-CD1 3.91Å; L111-I188 HydrophobicContact CD2-CG1 4.49Å; L111-C194 HydrophobicContact CD2-CB 3.76Å
112	F	98.9	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.4	169	-66.6	-104.6	0	0	0	110.2	C85 I88 L95 L98 F99 Y110 Y116 L130 L141 F142 L143 L144	C85-F112 HydrophobicContact CB-CD1 3.45Å; C85-F112 VanDerWaalsContact CB-CD1 3.45Å; C85-F112 HydrophobicContact CB-CE1 3.64Å; C85-F112 HydrophobicContact CB-CG 3.95Å; C85-F112 HydrophobicContact CB-CZ 4.28Å; I88-F112 HydrophobicContact CD1-CD1 4.29Å; I88-F112 HydrophobicContact CD1-CE1 4.11Å; I88-F112 HydrophobicContact CG1-CD1 4.22Å; I88-F112 HydrophobicContact CG1-CE1 4.37Å; L95-F112 HydrophobicContact CD1-CE1 3.77Å; L95-F112 HydrophobicContact CD1-CZ 4.09Å; L98-F112 HydrophobicContact CD1-CE1 4.26Å; L98-F112 HydrophobicContact CD2-CE1 4.26Å; L98-F112 HydrophobicContact CD2-CZ 4.06Å; F99-F112 HydrophobicContact CE1-CE2 4.29Å; F99-F112 AromaticContact CE1-CZ 3.86Å; F99-F112 HydrophobicContact CE1-CZ 3.86Å; F99-F112 HydrophobicContact CZ-CE2 4.24Å; F99-F112 AromaticContact CZ-CZ 3.67Å; F99-F112 HydrophobicContact CZ-CZ 3.67Å; Y110-F112 HydrophobicContact CD1-CE2 4.18Å; Y110-F112 HydrophobicContact CD1-CZ 4.42Å; Y110-F112 HydrophobicContact CG-CE2 4.24Å; F112-Y116 HydrophobicContact CB-CE1 3.58Å; F112-Y116 HydrophobicContact CD1-CE1 4.33Å; F112-Y116 HydrophobicContact CG-CE1 4.2Å; F112-L130 HydrophobicContact CD1-CD2 4.45Å; F112-L130 HydrophobicContact CD2-CD2 4.39Å; F112-L130 HydrophobicContact CE1-CD2 4.03Å; F112-L130 HydrophobicContact CE2-CD2 3.96Å; F112-L130 HydrophobicContact CZ-CD2 3.77Å; F112-L141 HydrophobicContact CE2-CD1 4.19Å; F112-F142 PolarHBondContact N-O 2.82Å; F112-L143 HydrophobicContact CB-CD2 3.95Å; F112-L143 HydrophobicContact CD2-CD2 3.87Å; F112-L143 HydrophobicContact CG-CD2 4.1Å; F112-L144 WeakPolarHBondContact O-CB 3.23Å; F112-L144 PolarHBondContact O-N 2.88Å
113	L	98.9	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.			trans	-91.4	-7.7	-170.9	-63.2	-178.4	0	0	0	114.7	I84 C85 L111 L144 C194 H196 I275 A277	I84-L113 HydrophobicContact CG2-CD1 3.72Å; I84-L113 HydrophobicContact CG2-CD2 3.92Å; I84-L113 HydrophobicContact CG2-CG 3.79Å; C85-L113 WeakPolarHBondContact O-CB 3.28Å; C85-L113 WeakPolarHBondContact O-CG 3.44Å; C85-L113 PolarHBondContact O-N 2.95Å; L111-L113 HydrophobicContact CD2-CD2 3.97Å; L111-L113 HydrophobicContact CG-CD2 4.11Å; L113-L144 HydrophobicContact CD2-CD1 3.8Å; L113-C194 HydrophobicContact CD2-CB 3.81Å; L113-H196 VanDerWaalsContact O-CB 3.27Å; L113-H196 WeakPolarHBondContact O-CB 3.26Å; L113-H196 PolarHBondContact O-ND1 2.89Å; L113-I275 HydrophobicContact CD1-CG2 4.32Å; L113-A277 HydrophobicContact CB-CB 3.74Å; L113-A277 HydrophobicContact CD1-CB 3.96Å
114	G	98.8	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	129.6	-174.1	-179.9	0	0	0	0	0	112.6
115	D	98.8	Very high	96.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.109	C	C	.	.			trans	55.4	62	175.8	-73.7	4.9	0	0	0	112.9	D87 I88 H89 G146 N147 H148 E149 H196	D87-D115 HydrophobicContact CB-CB 4.04Å; I88-D115 PolarHBondContact N-O 3.1Å; H89-D115 IonicContact CE1-OD2 2.79Å; H89-D115 PolarHBondContact N-O 3.46Å; H89-D115 IonicContact NE2-OD2 2.74Å; D115-G146 WeakPolarHBondContact OD1-CA 3.37Å; D115-N147 PolarHBondContact OD1-N 3.17Å; D115-N147 PolarHBondContact OD1-OD1 3.33Å; D115-N147 VanDerWaalsContact OD1-OD1 3.07Å; D115-N147 PolarHBondContact OD2-OD1 2.85Å; D115-H148 VanDerWaalsContact CG-CD2 3.49Å; D115-H148 WeakPolarHBondContact OD1-CB 3.32Å; D115-H148 IonicContact OD1-CD2 3.66Å; D115-H148 PolarHBondContact OD1-CD2 3.4Å; D115-H148 IonicContact OD1-CG 2.6Å; D115-H148 PolarHBondContact OD1-N 2.91Å; D115-H148 IonicContact OD2-CD2 3.4Å; D115-H148 PolarHBondContact OD2-CD2 2.89Å; D115-E149 WeakPolarHBondContact CA-OE1 3.26Å; D115-E149 PolarHBondContact N-OE1 3.27Å; D115-E149 PolarHBondContact N-OE2 2.92Å; D115-H196 IonicContact OD1-CD2 3.93Å; D115-H196 IonicContact OD1-CE1 3.87Å; D115-H196 IonicContact OD1-NE2 2.79Å; D115-H196 PolarHBondContact OD1-NE2 3.34Å; D115-H196 VanDerWaalsContact OD1-NE2 3.11Å; D115-H196 IonicContact OD2-CE1 3.56Å; D115-H196 PolarHBondContact OD2-CE1 3.22Å; D115-H196 IonicContact OD2-NE2 3.08Å; D115-H196 PolarHBondContact OD2-NE2 3.4Å
116	Y	98.8	Very high	96.7	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.008	11%	0.106	C	C	.	.			trans	-81	-28.5	178	-49.6	-61.9	0	0	0	112.5	I88 G90 F112 L130 L143 L144 E149 L182	I88-Y116 HydrophobicContact CG1-CD1 4.5Å; G90-Y116 PolarHBondContact N-O 2.75Å; F112-Y116 HydrophobicContact CB-CE1 3.58Å; F112-Y116 HydrophobicContact CD1-CE1 4.33Å; F112-Y116 HydrophobicContact CG-CE1 4.2Å; Y116-L130 HydrophobicContact CD1-CD1 3.39Å; Y116-L130 HydrophobicContact CE1-CD1 3.96Å; Y116-L130 HydrophobicContact CG-CD1 3.98Å; Y116-L143 HydrophobicContact CE1-CD2 4.11Å; Y116-L143 WeakPolarHBondContact OH-CA 3.16Å; Y116-L143 WeakPolarHBondContact OH-CB 3.33Å; Y116-L144 WeakPolarHBondContact CE2-O 3.37Å; Y116-L144 PolarHBondContact OH-N 3.02Å; Y116-L144 PolarHBondContact OH-O 2.98Å; Y116-E149 VanDerWaalsContact CD2-CD 3.46Å; Y116-E149 HydrophobicContact CD2-CG 3.87Å; Y116-E149 WeakPolarHBondContact CD2-OE1 3.24Å; Y116-E149 HydrophobicContact CE2-CG 4.25Å; Y116-E149 PolarHBondContact N-OE1 3.36Å; Y116-L182 HydrophobicContact CE2-CD1 4.28Å
117	V	98.5	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-120.3	179.5	-167.6	-57	0	0	0	0	112	H89 V127 H148 T154 F159 F179	H89-V117 PolarHBondContact ND1-O 3.5Å; V117-V127 HydrophobicContact CG1-CG2 3.51Å; V117-H148 HydrophobicContact CG2-CB 4.2Å; V117-H148 WeakPolarHBondContact CG2-O 3.43Å; V117-T154 HydrophobicContact CG2-CG2 3.99Å; V117-F159 HydrophobicContact CB-CB 4.15Å; V117-F159 HydrophobicContact CB-CD1 4.05Å; V117-F159 HydrophobicContact CB-CD2 4Å; V117-F159 HydrophobicContact CB-CE1 4.43Å; V117-F159 HydrophobicContact CB-CE2 4.37Å; V117-F159 HydrophobicContact CB-CG 3.81Å; V117-F159 HydrophobicContact CG1-CD1 4.14Å; V117-F159 HydrophobicContact CG1-CD2 4Å; V117-F159 HydrophobicContact CG1-CE1 4.01Å; V117-F159 HydrophobicContact CG1-CE2 3.85Å; V117-F159 HydrophobicContact CG1-CG 4.12Å; V117-F159 HydrophobicContact CG1-CZ 3.85Å; V117-F159 HydrophobicContact CG2-CB 4.32Å; V117-F159 HydrophobicContact CG2-CD1 3.97Å; V117-F159 HydrophobicContact CG2-CE1 4.47Å; V117-F159 HydrophobicContact CG2-CG 4.12Å; V117-F179 HydrophobicContact CG1-CE2 4.3Å; V117-F179 HydrophobicContact CG1-CZ 3.8Å; V117-F179 HydrophobicContact CG2-CE2 4.01Å; V117-F179 HydrophobicContact CG2-CZ 4.29Å
118	D	93.6	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	60.6	168.6	-173.7	-69.1	-38.2	0	0	0	112.9	H89 G120 S123 H148 F157 T158 F159	H89-D118 CarbonylContact C-O 3.42Å; H89-D118 VanDerWaalsContact CA-O 3.32Å; H89-D118 WeakPolarHBondContact CA-O 3.2Å; D118-G120 PolarHBondContact O-N 3.12Å; D118-S123 PolarHBondContact N-OG 3.3Å; D118-H148 VanDerWaalsContact CB-ND1 3.25Å; D118-H148 WeakPolarHBondContact CB-ND1 3.4Å; D118-H148 IonicContact OD2-CE1 2.87Å; D118-H148 IonicContact OD2-CG 3.86Å; D118-H148 IonicContact OD2-ND1 2.76Å; D118-H148 PolarHBondContact OD2-ND1 3.19Å; D118-F157 HydrophobicContact CB-CB 3.87Å; D118-F157 HydrophobicContact CB-CG 4.5Å; D118-F157 WeakPolarHBondContact OD1-CB 3.39Å; D118-T158 WeakPolarHBondContact CA-OG1 3.21Å; D118-T158 PolarHBondContact OD1-N 2.82Å; D118-F159 WeakPolarHBondContact OD1-CB 3.4Å; D118-F159 PolarHBondContact OD1-N 2.71Å
119	R	88.6	Confident	96.9	Very high	30 Å²	30	11.1 Å²	11.1	11%	0.113	5%	0.047	C	C	.	.	S	Bend	trans	69.4	-20.4	170	-49.8	-65.7	-71.1	157.9	-6.1	114.7	H89 T158 Y308 L309 D462	H89-R119 HydrophobicContact CB-CB 4.07Å; R119-T158 PolarHBondContact N-OG1 3.09Å; R119-T158 VanDerWaalsContact N-OG1 3.09Å; R119-Y308 HydrophobicContact CB-CE2 3.93Å; R119-Y308 WeakPolarHBondContact CG-OH 3.09Å; R119-Y308 PolarHBondContact NE-OH 3.04Å; R119-L309 HydrophobicContact CB-CD2 3.76Å; R119-L309 VanDerWaalsContact O-CD2 3.24Å; R119-L309 WeakPolarHBondContact O-CD2 3.39Å; R119-D462 IonicContact CZ-OD1 3.86Å; R119-D462 IonicContact NH1-OD1 3.57Å; R119-D462 IonicContact NH2-OD1 3.58Å; R119-D462 PolarHBondContact NH2-OD1 3.11Å; R119-D462 IonicContact NH2-OD2 3.11Å; R119-D462 PolarHBondContact NH2-OD2 3.04Å
120	G	85.2	Confident	96.9	Very high	8 Å²	8	7.4 Å²	7.4	8%	0.082	3%	0.033	C	C	.	.	S	Bend	trans	-112.4	-177	165.9	0	0	0	0	0	113.1	H89 D118 T158	H89-G120 VanDerWaalsContact O-CA 3.3Å; H89-G120 WeakPolarHBondContact O-CA 3.44Å; H89-G120 PolarHBondContact O-N 3.34Å; H89-G120 VanDerWaalsContact O-N 3.13Å; D118-G120 PolarHBondContact O-N 3.12Å; G120-T158 PolarHBondContact O-OG1 3.42Å
121	Y	90.9	Very high	96.9	Very high	50 Å²	50	7.5 Å²	7.5	20%	0.196	3%	0.033	C	C	.	.	S	Bend	trans	-107.2	-0.1	-178.1	-62.6	-82.5	0	0	0	113.6	K166 W339 F343	Y121-K166 WeakPolarHBondContact O-CE 3.1Å; Y121-K166 PolarHBondContact O-NZ 3.24Å; Y121-W339 HydrophobicContact CD1-CB 3.6Å; Y121-W339 HydrophobicContact CD1-CG 4.28Å; Y121-W339 HydrophobicContact CD2-CB 4.21Å; Y121-W339 HydrophobicContact CE1-CB 4.02Å; Y121-W339 HydrophobicContact CG-CB 3.71Å; Y121-W339 HydrophobicContact CG-CG 4.23Å; Y121-F343 HydrophobicContact CD1-CD1 4.49Å; Y121-F343 AromaticContact CD1-CE1 3.96Å; Y121-F343 HydrophobicContact CD1-CE1 3.96Å; Y121-F343 HydrophobicContact CD1-CE2 4.48Å; Y121-F343 AromaticContact CD1-CZ 3.94Å; Y121-F343 HydrophobicContact CD1-CZ 3.94Å
122	F	97.1	Very high	96.9	Very high	6 Å²	6	7.5 Å²	7.5	3%	0.026	3%	0.033	C	C	.	.			trans	-127.6	35.8	-176.4	-46	-84.8	0	0	0	112.3	G90 F92 Y93 L124 E125 C126 E162 H336 P337 W339	G90-F122 CarbonylContact O-C 3.52Å; G90-F122 VanDerWaalsContact O-CA 3.31Å; G90-F122 WeakPolarHBondContact O-CA 3.47Å; G90-F122 VanDerWaalsContact O-CB 3.23Å; G90-F122 WeakPolarHBondContact O-CB 3.5Å; G90-F122 PolarHBondContact O-N 3.15Å; F92-F122 HydrophobicContact CB-CB 3.53Å; F92-F122 HydrophobicContact CB-CG 4.35Å; Y93-F122 HydrophobicContact CD2-CD2 4.14Å; Y93-F122 HydrophobicContact CD2-CE2 4.11Å; Y93-F122 HydrophobicContact CD2-CG 4.46Å; Y93-F122 HydrophobicContact CD2-CZ 4.4Å; Y93-F122 AromaticContact CE2-CD1 3.93Å; Y93-F122 HydrophobicContact CE2-CD1 3.93Å; Y93-F122 HydrophobicContact CE2-CD2 4.04Å; Y93-F122 AromaticContact CE2-CE1 3.74Å; Y93-F122 HydrophobicContact CE2-CE1 3.74Å; Y93-F122 AromaticContact CE2-CE2 3.86Å; Y93-F122 HydrophobicContact CE2-CE2 3.86Å; Y93-F122 HydrophobicContact CE2-CG 4.07Å; Y93-F122 AromaticContact CE2-CZ 3.7Å; Y93-F122 HydrophobicContact CE2-CZ 3.7Å; F122-L124 VanDerWaalsContact C-N 3.35Å; F122-E125 VanDerWaalsContact C-OE2 3.25Å; F122-E125 WeakPolarHBondContact CA-OE2 3.2Å; F122-E125 HydrophobicContact CB-CB 4.27Å; F122-E125 HydrophobicContact CB-CG 4.47Å; F122-E125 PolarHBondContact O-N 3.46Å; F122-C126 PolarHBondContact O-N 2.9Å; F122-C126 PolarHBondContact O-SG 2.83Å; F122-C126 VanDerWaalsContact O-SG 3.39Å; F122-E162 WeakPolarHBondContact CA-OE1 3.33Å; F122-H336 HydrophobicContact CE2-CB 4.02Å; F122-H336 AromaticContact CE2-CG 3.98Å; F122-H336 AromaticContact CE2-ND1 3.65Å; F122-H336 HydrophobicContact CZ-CB 4.36Å; F122-P337 HydrophobicContact CZ-CB 4.32Å; F122-P337 WeakPolarHBondContact CZ-O 3.43Å; F122-W339 AromaticContact CE1-CD1 3.77Å; F122-W339 AromaticContact CE1-NE1 3.44Å; F122-W339 AromaticContact CZ-CD1 3.56Å; F122-W339 AromaticContact CZ-NE1 3.73Å
123	S	98.4	Very high	96.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.9	-40.5	178.8	-51.6	0	0	0	0	111.9	D118 E125 C126 V127 E162	D118-S123 PolarHBondContact N-OG 3.3Å; S123-E125 VanDerWaalsContact C-N 3.32Å; S123-E125 PolarHBondContact O-N 2.98Å; S123-C126 WeakPolarHBondContact O-CB 3.31Å; S123-C126 PolarHBondContact O-N 3.38Å; S123-V127 WeakPolarHBondContact O-CG2 3.35Å; S123-V127 PolarHBondContact O-N 3.02Å; S123-E162 WeakPolarHBondContact CB-OE2 3.36Å; S123-E162 VanDerWaalsContact N-CD 3.35Å; S123-E162 PolarHBondContact N-OE1 3.33Å; S123-E162 PolarHBondContact N-OE2 3.47Å; S123-E162 VanDerWaalsContact N-OE2 3.08Å; S123-E162 PolarHBondContact OG-OE2 3.44Å
124	L	98.6	Very high	96.9	Very high	7 Å²	7	7.5 Å²	7.5	4%	0.037	3%	0.033	C	C	.	.	H	α-helix	trans	-66.3	-38.7	-180	-178.4	58.3	0	0	0	111	I58 F122 V127 I128 F159 E162 K166 V171	I58-L124 HydrophobicContact CD1-CD2 4.48Å; I58-L124 HydrophobicContact CG2-CD1 4.35Å; F122-L124 VanDerWaalsContact C-N 3.35Å; L124-V127 PolarHBondContact O-N 3.38Å; L124-I128 HydrophobicContact CD1-CD1 4.16Å; L124-I128 HydrophobicContact CD1-CG1 4.29Å; L124-I128 HydrophobicContact CG-CD1 3.86Å; L124-I128 HydrophobicContact CG-CG1 4.46Å; L124-I128 WeakPolarHBondContact O-CB 3.45Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.93Å; L124-F159 HydrophobicContact CB-CE2 4.5Å; L124-E162 PolarHBondContact N-OE1 2.84Å; L124-K166 HydrophobicContact CD2-CB 3.99Å; L124-V171 HydrophobicContact CD1-CG1 3.84Å
125	E	98.7	Very high	96.9	Very high	13 Å²	13	9 Å²	9	6%	0.061	4%	0.041	C	C	.	.	H	α-helix	trans	-63.4	-43	174	-65.6	84	165	0	0	111.2	L47 F92 F122 S123 I128 Y129 K166	L47-E125 HydrophobicContact CB-CG 4.36Å; L47-E125 HydrophobicContact CD1-CB 4.21Å; L47-E125 HydrophobicContact CD1-CG 4.44Å; L47-E125 HydrophobicContact CD2-CG 4.12Å; F92-E125 HydrophobicContact CB-CB 3.92Å; F92-E125 HydrophobicContact CD1-CB 4.08Å; F92-E125 HydrophobicContact CD2-CB 3.71Å; F92-E125 HydrophobicContact CE2-CB 4.26Å; F92-E125 HydrophobicContact CG-CB 3.62Å; F122-E125 VanDerWaalsContact C-OE2 3.25Å; F122-E125 WeakPolarHBondContact CA-OE2 3.2Å; F122-E125 HydrophobicContact CB-CB 4.27Å; F122-E125 HydrophobicContact CB-CG 4.47Å; F122-E125 PolarHBondContact O-N 3.46Å; S123-E125 VanDerWaalsContact C-N 3.32Å; S123-E125 PolarHBondContact O-N 2.98Å; E125-I128 PolarHBondContact O-N 3.03Å; E125-Y129 VanDerWaalsContact O-CB 3.26Å; E125-Y129 WeakPolarHBondContact O-CB 3.38Å; E125-Y129 PolarHBondContact O-N 3.01Å; E125-K166 IonicContact OE1-NZ 2.77Å; E125-K166 PolarHBondContact OE1-NZ 3.25Å; E125-K166 IonicContact OE2-NZ 3.62Å; E125-K166 PolarHBondContact OE2-NZ 2.85Å
126	C	98.8	Very high	96.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57	-49	172.2	-73.1	0	0	0	0	111.8	F92 L95 F122 S123 Y129 L130	F92-C126 VanDerWaalsContact CA-SG 3.58Å; L95-C126 HydrophobicContact CD2-CB 4.35Å; F122-C126 PolarHBondContact O-N 2.9Å; F122-C126 PolarHBondContact O-SG 2.83Å; F122-C126 VanDerWaalsContact O-SG 3.39Å; S123-C126 WeakPolarHBondContact O-CB 3.31Å; S123-C126 PolarHBondContact O-N 3.38Å; C126-Y129 PolarHBondContact O-N 3.43Å; C126-L130 VanDerWaalsContact O-CB 3.28Å; C126-L130 WeakPolarHBondContact O-CB 3.36Å; C126-L130 VanDerWaalsContact O-CG 3.3Å; C126-L130 WeakPolarHBondContact O-CG 3.2Å; C126-L130 PolarHBondContact O-N 3.16Å
127	V	98.9	Very high	96.9	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-61.6	-51.4	179	171.1	0	0	0	0	111.1	V117 S123 L124 Y129 L130 F131 F159 F179	V117-V127 HydrophobicContact CG1-CG2 3.51Å; S123-V127 WeakPolarHBondContact O-CG2 3.35Å; S123-V127 PolarHBondContact O-N 3.02Å; L124-V127 PolarHBondContact O-N 3.38Å; V127-Y129 VanDerWaalsContact C-N 3.27Å; V127-Y129 PolarHBondContact O-N 3.24Å; V127-L130 PolarHBondContact O-N 3.26Å; V127-F131 HydrophobicContact CG1-CD1 4.46Å; V127-F131 HydrophobicContact CG1-CD2 3.87Å; V127-F131 HydrophobicContact CG1-CE1 4.43Å; V127-F131 HydrophobicContact CG1-CE2 3.85Å; V127-F131 HydrophobicContact CG1-CG 4.2Å; V127-F131 HydrophobicContact CG1-CZ 4.15Å; V127-F131 WeakPolarHBondContact O-CB 3.48Å; V127-F131 WeakPolarHBondContact O-CG 3.48Å; V127-F131 PolarHBondContact O-N 3.03Å; V127-F159 HydrophobicContact CG2-CE2 4.34Å; V127-F159 HydrophobicContact CG2-CZ 3.96Å; V127-F179 HydrophobicContact CG2-CE1 4.28Å; V127-F179 HydrophobicContact CG2-CZ 3.99Å
128	I	98.9	Very high	96.9	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-54.2	-47.3	179	-73.3	166.5	0	0	0	110.4	I43 L47 L53 I58 I61 L124 E125 S132	I43-I128 HydrophobicContact CG2-CG2 4.04Å; L47-I128 HydrophobicContact CD1-CB 4.39Å; L47-I128 HydrophobicContact CD1-CG2 3.94Å; L53-I128 HydrophobicContact CD1-CD1 4.21Å; L53-I128 HydrophobicContact CD1-CG2 3.62Å; I58-I128 HydrophobicContact CD1-CD1 4.1Å; I58-I128 HydrophobicContact CG1-CD1 3.96Å; I58-I128 HydrophobicContact CG1-CG1 4.43Å; I58-I128 HydrophobicContact CG2-CD1 4.43Å; I58-I128 HydrophobicContact CG2-CG1 4.22Å; I61-I128 HydrophobicContact CD1-CG2 3.96Å; L124-I128 HydrophobicContact CD1-CD1 4.16Å; L124-I128 HydrophobicContact CD1-CG1 4.29Å; L124-I128 HydrophobicContact CG-CD1 3.86Å; L124-I128 HydrophobicContact CG-CG1 4.46Å; L124-I128 WeakPolarHBondContact O-CB 3.45Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.93Å; E125-I128 PolarHBondContact O-N 3.03Å; I128-S132 VanDerWaalsContact O-CB 3.26Å; I128-S132 WeakPolarHBondContact O-CB 3.44Å; I128-S132 PolarHBondContact O-N 3.19Å; I128-S132 PolarHBondContact O-OG 3.06Å
129	Y	98.8	Very high	97.1	Very high	30 Å²	30	25.3 Å²	25.3	12%	0.118	11%	0.113	C	C	.	.	H	α-helix	trans	-73.3	-47.3	-174.6	-162.8	-94.1	0	0	0	112.5	L40 F92 M96 F99 E125 C126 V127 F131 S132 L133	L40-Y129 HydrophobicContact CD2-CD2 4.07Å; L40-Y129 HydrophobicContact CD2-CE2 3.85Å; F92-Y129 HydrophobicContact CE2-CD2 4.08Å; F92-Y129 AromaticContact CE2-CG 3.95Å; F92-Y129 HydrophobicContact CE2-CG 3.95Å; F92-Y129 HydrophobicContact CZ-CD2 4.46Å; M96-Y129 HydrophobicContact CE-CD1 3.45Å; M96-Y129 VanDerWaalsContact CE-CD1 3.45Å; M96-Y129 HydrophobicContact CE-CD2 4.27Å; M96-Y129 HydrophobicContact CE-CE1 3.44Å; M96-Y129 VanDerWaalsContact CE-CE1 3.44Å; M96-Y129 HydrophobicContact CE-CE2 4.29Å; M96-Y129 HydrophobicContact CE-CG 3.86Å; M96-Y129 HydrophobicContact SD-CD1 4.37Å; M96-Y129 HydrophobicContact SD-CD2 4.42Å; M96-Y129 HydrophobicContact SD-CE1 3.91Å; M96-Y129 HydrophobicContact SD-CE2 4.01Å; F99-Y129 AromaticContact CD2-CE1 3.92Å; F99-Y129 HydrophobicContact CD2-CE1 3.92Å; F99-Y129 AromaticContact CE2-CD1 3.97Å; F99-Y129 HydrophobicContact CE2-CD1 3.97Å; F99-Y129 AromaticContact CE2-CE1 3.65Å; F99-Y129 HydrophobicContact CE2-CE1 3.65Å; E125-Y129 VanDerWaalsContact O-CB 3.26Å; E125-Y129 WeakPolarHBondContact O-CB 3.38Å; E125-Y129 PolarHBondContact O-N 3.01Å; C126-Y129 PolarHBondContact O-N 3.43Å; V127-Y129 VanDerWaalsContact C-N 3.27Å; V127-Y129 PolarHBondContact O-N 3.24Å; Y129-F131 VanDerWaalsContact C-N 3.35Å; Y129-F131 PolarHBondContact O-N 3.41Å; Y129-S132 PolarHBondContact O-N 2.59Å; Y129-L133 HydrophobicContact CD1-CD1 3.66Å; Y129-L133 HydrophobicContact CD1-CG 4.32Å; Y129-L133 HydrophobicContact CE1-CD1 3.53Å; Y129-L133 HydrophobicContact CE1-CG 4.18Å; Y129-L133 WeakPolarHBondContact O-CB 3.26Å; Y129-L133 WeakPolarHBondContact O-CG 3.34Å; Y129-L133 PolarHBondContact O-N 3.24Å
130	L	98.9	Very high	97.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-38.9	178.2	-71.9	172.8	0	0	0	112	L95 F99 F112 Y116 C126 V127 L133 K134	L95-L130 HydrophobicContact CD1-CD2 4.13Å; L95-L130 HydrophobicContact CD2-CD1 4.27Å; L95-L130 HydrophobicContact CD2-CD2 4.11Å; L95-L130 HydrophobicContact CD2-CG 3.91Å; F99-L130 HydrophobicContact CZ-CD2 4.12Å; F112-L130 HydrophobicContact CD1-CD2 4.45Å; F112-L130 HydrophobicContact CD2-CD2 4.39Å; F112-L130 HydrophobicContact CE1-CD2 4.03Å; F112-L130 HydrophobicContact CE2-CD2 3.96Å; F112-L130 HydrophobicContact CZ-CD2 3.77Å; Y116-L130 HydrophobicContact CD1-CD1 3.39Å; Y116-L130 HydrophobicContact CE1-CD1 3.96Å; Y116-L130 HydrophobicContact CG-CD1 3.98Å; C126-L130 VanDerWaalsContact O-CB 3.28Å; C126-L130 WeakPolarHBondContact O-CB 3.36Å; C126-L130 VanDerWaalsContact O-CG 3.3Å; C126-L130 WeakPolarHBondContact O-CG 3.2Å; C126-L130 PolarHBondContact O-N 3.16Å; V127-L130 PolarHBondContact O-N 3.26Å; L130-L133 WeakPolarHBondContact O-CB 3.41Å; L130-L133 PolarHBondContact O-N 3Å; L130-K134 WeakPolarHBondContact O-CB 2.97Å; L130-K134 PolarHBondContact O-N 3.44Å
131	F	98.9	Very high	98.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-71	-38.9	177.7	-76.4	14	0	0	0	111.5	I61 I62 C65 V127 Y129 L133 K134 I135 L143 A178 F179	I61-F131 HydrophobicContact CG2-CB 3.64Å; I62-F131 HydrophobicContact CG1-CD2 4.28Å; I62-F131 HydrophobicContact CG1-CE2 4.46Å; I62-F131 HydrophobicContact CG2-CE2 4.47Å; C65-F131 HydrophobicContact CB-CB 3.81Å; C65-F131 HydrophobicContact CB-CD2 3.75Å; C65-F131 HydrophobicContact CB-CE2 4.43Å; C65-F131 HydrophobicContact CB-CG 3.82Å; C65-F131 VanDerWaalsContact SG-CG 3.5Å; V127-F131 HydrophobicContact CG1-CD1 4.46Å; V127-F131 HydrophobicContact CG1-CD2 3.87Å; V127-F131 HydrophobicContact CG1-CE1 4.43Å; V127-F131 HydrophobicContact CG1-CE2 3.85Å; V127-F131 HydrophobicContact CG1-CG 4.2Å; V127-F131 HydrophobicContact CG1-CZ 4.15Å; V127-F131 WeakPolarHBondContact O-CB 3.48Å; V127-F131 WeakPolarHBondContact O-CG 3.48Å; V127-F131 PolarHBondContact O-N 3.03Å; Y129-F131 VanDerWaalsContact C-N 3.35Å; Y129-F131 PolarHBondContact O-N 3.41Å; F131-L133 VanDerWaalsContact C-N 3.31Å; F131-L133 PolarHBondContact O-N 3.46Å; F131-K134 WeakPolarHBondContact O-CB 3.46Å; F131-K134 PolarHBondContact O-N 3.12Å; F131-K134 VanDerWaalsContact O-N 3.14Å; F131-I135 WeakPolarHBondContact O-CD1 3.32Å; F131-I135 VanDerWaalsContact O-CG1 3.28Å; F131-I135 WeakPolarHBondContact O-CG1 3.47Å; F131-I135 PolarHBondContact O-N 2.83Å; F131-L143 HydrophobicContact CD1-CD1 3.98Å; F131-L143 HydrophobicContact CE1-CD1 4.05Å; F131-A178 HydrophobicContact CE2-CB 3.79Å; F131-A178 HydrophobicContact CZ-CB 4.1Å; F131-F179 HydrophobicContact CZ-CD1 4.26Å; F131-F179 HydrophobicContact CZ-CE1 4.02Å
132	S	98.9	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-44	172.1	-64.6	0	0	0	0	111.6	I128 Y129 I135 L136	I128-S132 VanDerWaalsContact O-CB 3.26Å; I128-S132 WeakPolarHBondContact O-CB 3.44Å; I128-S132 PolarHBondContact O-N 3.19Å; I128-S132 PolarHBondContact O-OG 3.06Å; Y129-S132 PolarHBondContact O-N 2.59Å; S132-I135 PolarHBondContact O-N 3.33Å; S132-L136 WeakPolarHBondContact O-CG 3.45Å; S132-L136 PolarHBondContact O-N 3.04Å; S132-L136 VanDerWaalsContact O-N 3.09Å
133	L	98.8	Very high	98.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-42.1	173	-82.6	171.2	0	0	0	112.6	L40 F99 P105 Y129 L130 F131 I135 L136 H137 L141	L40-L133 HydrophobicContact CD1-CD2 3.3Å; L40-L133 HydrophobicContact CD1-CG 3.75Å; F99-L133 HydrophobicContact CE1-CD1 3.99Å; F99-L133 HydrophobicContact CE2-CD1 3.65Å; F99-L133 HydrophobicContact CZ-CD1 3.3Å; P105-L133 HydrophobicContact CB-CD2 3.53Å; P105-L133 HydrophobicContact CG-CD1 4.35Å; P105-L133 HydrophobicContact CG-CD2 3.64Å; Y129-L133 HydrophobicContact CD1-CD1 3.66Å; Y129-L133 HydrophobicContact CD1-CG 4.32Å; Y129-L133 HydrophobicContact CE1-CD1 3.53Å; Y129-L133 HydrophobicContact CE1-CG 4.18Å; Y129-L133 WeakPolarHBondContact O-CB 3.26Å; Y129-L133 WeakPolarHBondContact O-CG 3.34Å; Y129-L133 PolarHBondContact O-N 3.24Å; L130-L133 WeakPolarHBondContact O-CB 3.41Å; L130-L133 PolarHBondContact O-N 3Å; F131-L133 VanDerWaalsContact C-N 3.31Å; F131-L133 PolarHBondContact O-N 3.46Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 3.07Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-H137 WeakPolarHBondContact O-CB 3.26Å; L133-H137 PolarHBondContact O-N 2.85Å; L133-L141 HydrophobicContact CB-CD1 3.79Å; L133-L141 HydrophobicContact CB-CD2 4.24Å; L133-L141 HydrophobicContact CD1-CD1 4.08Å; L133-L141 HydrophobicContact CG-CD1 4.41Å
134	K	98.8	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.9	-179.5	57.8	174.1	171.7	0	111.7	E72 L130 F131 H137 P138 L141 L143	E72-K134 IonicContact OE1-NZ 3.97Å; E72-K134 PolarHBondContact OE1-NZ 2.78Å; E72-K134 IonicContact OE2-NZ 2.94Å; L130-K134 WeakPolarHBondContact O-CB 2.97Å; L130-K134 PolarHBondContact O-N 3.44Å; F131-K134 WeakPolarHBondContact O-CB 3.46Å; F131-K134 PolarHBondContact O-N 3.12Å; F131-K134 VanDerWaalsContact O-N 3.14Å; K134-H137 CarbonylContact O-C 3.53Å; K134-P138 PolarHBondContact NZ-O 3.45Å; K134-P138 WeakPolarHBondContact O-CA 3.46Å; K134-P138 WeakPolarHBondContact O-CD 3.27Å; K134-P138 VanDerWaalsContact O-N 3.11Å; K134-L141 HydrophobicContact CB-CD2 3.87Å; K134-L141 HydrophobicContact CD-CD2 4.26Å; K134-L141 WeakPolarHBondContact CD-O 3.5Å; K134-L141 WeakPolarHBondContact CE-O 3.49Å; K134-L141 PolarHBondContact NZ-O 3.15Å; K134-L143 HydrophobicContact CB-CD1 4.23Å; K134-L143 HydrophobicContact CG-CD1 4.44Å
135	I	98.8	Very high	98.7	Very high	30 Å²	30	22.7 Å²	22.7	15%	0.154	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-42.8	175.2	-66.9	160.6	0	0	0	111.4	P38 I61 D64 C65 I68 F131 S132 L133 P138	P38-I135 HydrophobicContact CG-CB 4.23Å; P38-I135 HydrophobicContact CG-CD1 4.1Å; P38-I135 HydrophobicContact CG-CG2 4.05Å; I61-I135 HydrophobicContact CG2-CD1 4.21Å; I61-I135 WeakPolarHBondContact O-CD1 3.48Å; D64-I135 HydrophobicContact CB-CD1 3.67Å; D64-I135 HydrophobicContact CB-CG1 4.1Å; C65-I135 HydrophobicContact CB-CD1 4.26Å; C65-I135 HydrophobicContact CB-CG1 4.15Å; I68-I135 HydrophobicContact CD1-CB 4.42Å; I68-I135 HydrophobicContact CD1-CG1 4.15Å; F131-I135 WeakPolarHBondContact O-CD1 3.32Å; F131-I135 VanDerWaalsContact O-CG1 3.28Å; F131-I135 WeakPolarHBondContact O-CG1 3.47Å; F131-I135 PolarHBondContact O-N 2.83Å; S132-I135 PolarHBondContact O-N 3.33Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 3.07Å; I135-P138 WeakPolarHBondContact O-CD 3.41Å
136	L	98.6	Very high	98.7	Very high	46 Å²	46	22.1 Å²	22.1	24%	0.241	10%	0.102	C	C	.	.	H	α-helix	trans	-74.1	-32.3	-179.9	-70.6	171.1	0	0	0	113.1	R37 L40 S132 L133 P138	R37-L136 HydrophobicContact CB-CD2 3.86Å; L40-L136 HydrophobicContact CD1-CD1 3.47Å; L40-L136 VanDerWaalsContact CD1-CD1 3.47Å; L40-L136 HydrophobicContact CG-CD1 3.59Å; S132-L136 WeakPolarHBondContact O-CG 3.45Å; S132-L136 PolarHBondContact O-N 3.04Å; S132-L136 VanDerWaalsContact O-N 3.09Å; L133-L136 PolarHBondContact O-N 2.88Å; L136-P138 VanDerWaalsContact C-CD 3.4Å
137	H	98.5	Very high	98.7	Very high	30 Å²	30	22.2 Å²	22.2	14%	0.139	10%	0.103	C	C	.	.			trans	-128.9	52.1	-171.3	-56.5	-59.6	0	0	0	112.8	L133 K134 R139 S140 L141	L133-H137 WeakPolarHBondContact O-CB 3.26Å; L133-H137 PolarHBondContact O-N 2.85Å; K134-H137 CarbonylContact O-C 3.53Å; H137-R139 PolarHBondContact O-N 2.87Å; H137-S140 PolarHBondContact O-N 3.32Å; H137-L141 HydrophobicContact CB-CB 4.12Å; H137-L141 PolarHBondContact O-N 2.96Å
138	P	98.2	Very high	98.7	Very high	51 Å²	51	22.8 Å²	22.8	33%	0.331	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.6	-169.6	24.1	-34.8	0	0	0	114	I68 K134 I135 L136	I68-P138 HydrophobicContact CD1-CB 4.24Å; I68-P138 HydrophobicContact CG2-CB 3.98Å; K134-P138 PolarHBondContact NZ-O 3.45Å; K134-P138 WeakPolarHBondContact O-CA 3.46Å; K134-P138 WeakPolarHBondContact O-CD 3.27Å; K134-P138 VanDerWaalsContact O-N 3.11Å; I135-P138 WeakPolarHBondContact O-CD 3.41Å; L136-P138 VanDerWaalsContact C-CD 3.4Å
139	R	97.9	Very high	98.7	Very high	219 Å²	219	22.5 Å²	22.5	83%	0.826	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	0.2	-179.3	-60.2	-177.8	-178.6	171	0.5	114.2	H137 F142	H137-R139 PolarHBondContact O-N 2.87Å; R139-F142 VanDerWaalsContact O-CZ 3.25Å; R139-F142 WeakPolarHBondContact O-CZ 3.35Å
140	S	98.4	Very high	98.6	Very high	28 Å²	28	21.3 Å²	21.3	20%	0.196	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136	-9.7	179.8	54.1	0	0	0	0	114.2	R109 Y110 H137	R109-S140 CarbonylContact C-O 3.57Å; R109-S140 WeakPolarHBondContact CA-O 3.28Å; R109-S140 VanDerWaalsContact CG-O 3.28Å; R109-S140 WeakPolarHBondContact CG-O 3.39Å; Y110-S140 PolarHBondContact N-O 2.84Å; H137-S140 PolarHBondContact O-N 3.32Å
141	L	98.7	Very high	98.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.9	169.1	-170.8	131.9	0	0	0	109.5	F112 L133 K134 H137 L143	F112-L141 HydrophobicContact CE2-CD1 4.19Å; L133-L141 HydrophobicContact CB-CD1 3.79Å; L133-L141 HydrophobicContact CB-CD2 4.24Å; L133-L141 HydrophobicContact CD1-CD1 4.08Å; L133-L141 HydrophobicContact CG-CD1 4.41Å; K134-L141 HydrophobicContact CB-CD2 3.87Å; K134-L141 HydrophobicContact CD-CD2 4.26Å; K134-L141 WeakPolarHBondContact CD-O 3.5Å; K134-L141 WeakPolarHBondContact CE-O 3.49Å; K134-L141 PolarHBondContact NZ-O 3.15Å; H137-L141 HydrophobicContact CB-CB 4.12Å; H137-L141 PolarHBondContact O-N 2.96Å; L141-L143 HydrophobicContact CD2-CD1 4.44Å; L141-L143 HydrophobicContact CD2-CD2 3.92Å; L141-L143 HydrophobicContact CD2-CG 4.05Å
142	F	98.9	Very high	98.4	Very high	18 Å²	18	25.7 Å²	25.7	8%	0.079	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.3	-175.2	-55.6	-74.9	0	0	0	109.4	L76 L78 I82 R109 Y110 L111 F112 R139	L76-F142 HydrophobicContact CD1-CB 3.82Å; L76-F142 HydrophobicContact CD1-CD1 3.9Å; L76-F142 HydrophobicContact CD1-CG 4.16Å; L78-F142 HydrophobicContact CD1-CB 4.29Å; L78-F142 HydrophobicContact CD1-CD2 3.81Å; L78-F142 HydrophobicContact CD1-CE2 4.31Å; L78-F142 HydrophobicContact CD1-CG 3.98Å; L78-F142 HydrophobicContact CD2-CD1 3.84Å; L78-F142 HydrophobicContact CD2-CD2 3.79Å; L78-F142 HydrophobicContact CD2-CE1 3.6Å; L78-F142 HydrophobicContact CD2-CE2 3.56Å; L78-F142 HydrophobicContact CD2-CG 3.92Å; L78-F142 HydrophobicContact CD2-CZ 3.44Å; L78-F142 VanDerWaalsContact CD2-CZ 3.44Å; L78-F142 HydrophobicContact CG-CD2 4.47Å; I82-F142 HydrophobicContact CD1-CD2 4.49Å; R109-F142 HydrophobicContact CG-CD2 4.28Å; R109-F142 HydrophobicContact CG-CE2 3.82Å; Y110-F142 WeakPolarHBondContact O-CD2 3.29Å; Y110-F142 PolarHBondContact O-N 3.39Å; L111-F142 WeakPolarHBondContact CA-O 3.41Å; L111-F142 HydrophobicContact CD1-CB 3.71Å; F112-F142 PolarHBondContact N-O 2.82Å; R139-F142 VanDerWaalsContact O-CZ 3.25Å; R139-F142 WeakPolarHBondContact O-CZ 3.35Å
143	L	98.9	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.9	-177.7	-59.2	177.4	0	0	0	107.3	F112 Y116 F131 K134 L141 L182 P183	F112-L143 HydrophobicContact CB-CD2 3.95Å; F112-L143 HydrophobicContact CD2-CD2 3.87Å; F112-L143 HydrophobicContact CG-CD2 4.1Å; Y116-L143 HydrophobicContact CE1-CD2 4.11Å; Y116-L143 WeakPolarHBondContact OH-CA 3.16Å; Y116-L143 WeakPolarHBondContact OH-CB 3.33Å; F131-L143 HydrophobicContact CD1-CD1 3.98Å; F131-L143 HydrophobicContact CE1-CD1 4.05Å; K134-L143 HydrophobicContact CB-CD1 4.23Å; K134-L143 HydrophobicContact CG-CD1 4.44Å; L141-L143 HydrophobicContact CD2-CD1 4.44Å; L141-L143 HydrophobicContact CD2-CD2 3.92Å; L141-L143 HydrophobicContact CD2-CG 4.05Å; L143-L182 HydrophobicContact CB-CD2 3.8Å; L143-P183 WeakPolarHBondContact O-CD 3.43Å
144	L	98.9	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.			trans	-94.3	164	167.4	-57.2	-173.7	0	0	0	110.3	L76 L111 F112 L113 Y116 P183 A185 A186 C194	L76-L144 HydrophobicContact CD1-CD2 3.99Å; L76-L144 HydrophobicContact CG-CD2 4.49Å; L111-L144 HydrophobicContact CD1-CD1 4.16Å; L111-L144 HydrophobicContact CD1-CD2 4.13Å; L111-L144 HydrophobicContact CD1-CG 3.8Å; F112-L144 WeakPolarHBondContact O-CB 3.23Å; F112-L144 PolarHBondContact O-N 2.88Å; L113-L144 HydrophobicContact CD2-CD1 3.8Å; Y116-L144 WeakPolarHBondContact CE2-O 3.37Å; Y116-L144 PolarHBondContact OH-N 3.02Å; Y116-L144 PolarHBondContact OH-O 2.98Å; L144-P183 CarbonylContact C-O 3.54Å; L144-P183 WeakPolarHBondContact CA-O 3.29Å; L144-P183 HydrophobicContact CD2-CB 3.91Å; L144-A185 WeakPolarHBondContact CD2-O 3.27Å; L144-A186 HydrophobicContact CD1-CB 4.31Å; L144-A186 HydrophobicContact CD2-CB 4.27Å; L144-C194 HydrophobicContact CD1-CB 4.39Å
145	R	98.9	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.			trans	-83	130.6	173.5	-158.8	174.6	-173.4	165.7	7.8	110	E149 F179 D180 L182 P183 L184 H196 R214 K216 L228	R145-E149 HydrophobicContact CG-CB 3.82Å; R145-E149 PolarHBondContact NE-O 2.86Å; R145-E149 PolarHBondContact NH2-O 3.03Å; R145-F179 VanDerWaalsContact CZ-O 3.27Å; R145-F179 PolarHBondContact NE-O 3.26Å; R145-D180 IonicContact CZ-OD1 2.75Å; R145-D180 IonicContact NH1-OD1 3.54Å; R145-D180 IonicContact NH2-OD1 3.9Å; R145-D180 PolarHBondContact NH2-OD1 2.97Å; R145-L182 HydrophobicContact CB-CB 3.65Å; R145-L182 HydrophobicContact CB-CD1 4.35Å; R145-L182 HydrophobicContact CG-CB 3.98Å; R145-L182 HydrophobicContact CG-CD1 4.15Å; R145-P183 PolarHBondContact N-O 3.38Å; R145-L184 HydrophobicContact CB-CD2 4.07Å; R145-H196 WeakPolarHBondContact O-CB 3.49Å; R145-R214 PolarHBondContact NH1-O 3.24Å; R145-K216 PolarHBondContact NH1-O 3.34Å; R145-L228 HydrophobicContact CB-CD2 4.27Å; R145-L228 WeakPolarHBondContact O-CD2 3.36Å
146	G	98.8	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.146	C	C	.	.			trans	-97.2	-178.5	163.9	0	0	0	0	0	112.2	D115 H148 E149 H196	D115-G146 WeakPolarHBondContact OD1-CA 3.37Å; G146-H148 VanDerWaalsContact C-N 3.31Å; G146-E149 WeakPolarHBondContact CA-OE2 3.3Å; G146-E149 PolarHBondContact N-OE2 2.88Å; G146-E149 PolarHBondContact O-N 2.77Å; G146-H196 WeakPolarHBondContact CA-CD2 3.36Å; G146-H196 VanDerWaalsContact CA-CG 3.46Å
147	N	98.4	Very high	97	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	14%	0.137	C	C	.	.	S	Bend	trans	-74.7	-24.3	178.2	60.4	-58.9	0	0	0	112.1	D115 E149 C150 L153 H196 L228 W229 H278	D115-N147 PolarHBondContact OD1-N 3.17Å; D115-N147 PolarHBondContact OD1-OD1 3.33Å; D115-N147 VanDerWaalsContact OD1-OD1 3.07Å; D115-N147 PolarHBondContact OD2-OD1 2.85Å; N147-E149 VanDerWaalsContact C-N 3.28Å; N147-E149 PolarHBondContact O-N 3.47Å; N147-C150 PolarHBondContact O-SG 2.8Å; N147-L153 HydrophobicContact CB-CD2 4.45Å; N147-L153 WeakPolarHBondContact ND2-CD2 3.38Å; N147-H196 PolarHBondContact N-CD2 2.92Å; N147-H196 VanDerWaalsContact N-CD2 3.32Å; N147-H196 PolarHBondContact OD1-CD2 3.33Å; N147-H196 VanDerWaalsContact OD1-CD2 3.28Å; N147-H196 PolarHBondContact OD1-NE2 2.9Å; N147-L228 HydrophobicContact CB-CB 4.12Å; N147-W229 HydrophobicContact CB-CD2 4.08Å; N147-W229 HydrophobicContact CB-CG 4.33Å; N147-W229 HydrophobicContact CB-CZ2 3.89Å; N147-H278 PolarHBondContact OD1-CE1 3.05Å; N147-H278 PolarHBondContact OD1-ND1 3.19Å
148	H	98.3	Very high	96.6	Very high	13 Å²	13	30.7 Å²	30.7	6%	0.06	14%	0.138	C	C	.	.	S	Bend	trans	-78.1	-9.8	175.9	-76.1	-93	0	0	0	113.8	H89 D115 V117 D118 G146 C150 T154 F157	H89-H148 AromaticContact CE1-CD2 3.55Å; H89-H148 AromaticContact CE1-NE2 3.66Å; D115-H148 VanDerWaalsContact CG-CD2 3.49Å; D115-H148 WeakPolarHBondContact OD1-CB 3.32Å; D115-H148 IonicContact OD1-CD2 3.66Å; D115-H148 PolarHBondContact OD1-CD2 3.4Å; D115-H148 IonicContact OD1-CG 2.6Å; D115-H148 PolarHBondContact OD1-N 2.91Å; D115-H148 IonicContact OD2-CD2 3.4Å; D115-H148 PolarHBondContact OD2-CD2 2.89Å; V117-H148 HydrophobicContact CG2-CB 4.2Å; V117-H148 WeakPolarHBondContact CG2-O 3.43Å; D118-H148 VanDerWaalsContact CB-ND1 3.25Å; D118-H148 WeakPolarHBondContact CB-ND1 3.4Å; D118-H148 IonicContact OD2-CE1 2.87Å; D118-H148 IonicContact OD2-CG 3.86Å; D118-H148 IonicContact OD2-ND1 2.76Å; D118-H148 PolarHBondContact OD2-ND1 3.19Å; G146-H148 VanDerWaalsContact C-N 3.31Å; H148-C150 PolarHBondContact O-N 2.93Å; H148-T154 WeakPolarHBondContact O-CG2 3.24Å; H148-F157 AromaticContact CE1-CD2 3.72Å; H148-F157 AromaticContact CE1-CE2 3.76Å
149	E	98.6	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-83.9	54.7	172.8	-76.2	74.9	-129.6	0	0	112	D115 Y116 R145 G146 N147 F179 L182	D115-E149 WeakPolarHBondContact CA-OE1 3.26Å; D115-E149 PolarHBondContact N-OE1 3.27Å; D115-E149 PolarHBondContact N-OE2 2.92Å; Y116-E149 VanDerWaalsContact CD2-CD 3.46Å; Y116-E149 HydrophobicContact CD2-CG 3.87Å; Y116-E149 WeakPolarHBondContact CD2-OE1 3.24Å; Y116-E149 HydrophobicContact CE2-CG 4.25Å; Y116-E149 PolarHBondContact N-OE1 3.36Å; R145-E149 HydrophobicContact CG-CB 3.82Å; R145-E149 PolarHBondContact NE-O 2.86Å; R145-E149 PolarHBondContact NH2-O 3.03Å; G146-E149 WeakPolarHBondContact CA-OE2 3.3Å; G146-E149 PolarHBondContact N-OE2 2.88Å; G146-E149 PolarHBondContact O-N 2.77Å; N147-E149 VanDerWaalsContact C-N 3.28Å; N147-E149 PolarHBondContact O-N 3.47Å; E149-F179 VanDerWaalsContact CA-CD2 3.48Å; E149-F179 HydrophobicContact CB-CB 3.93Å; E149-F179 HydrophobicContact CB-CD1 4.3Å; E149-F179 HydrophobicContact CB-CD2 3.73Å; E149-F179 HydrophobicContact CB-CE2 4.28Å; E149-F179 HydrophobicContact CB-CG 3.74Å; E149-F179 HydrophobicContact CG-CB 4.47Å; E149-F179 HydrophobicContact CG-CD1 3.9Å; E149-F179 HydrophobicContact CG-CD2 3.82Å; E149-F179 HydrophobicContact CG-CE1 4Å; E149-F179 HydrophobicContact CG-CE2 3.91Å; E149-F179 HydrophobicContact CG-CG 3.8Å; E149-F179 HydrophobicContact CG-CZ 4.01Å; E149-L182 HydrophobicContact CB-CD1 3.92Å; E149-L182 HydrophobicContact CG-CD1 3.66Å
150	C	98.3	Very high	96.4	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.034	9%	0.094	C	C	.	.	S	Bend	trans	-148.3	157.6	179.3	76.2	0	0	0	0	112.9	N147 H148 L153 T154 E217 P218	N147-C150 PolarHBondContact O-SG 2.8Å; H148-C150 PolarHBondContact O-N 2.93Å; C150-L153 PolarHBondContact SG-N 2.81Å; C150-L153 VanDerWaalsContact SG-N 3.43Å; C150-T154 WeakPolarHBondContact O-CB 3.28Å; C150-T154 WeakPolarHBondContact O-CG2 3.43Å; C150-T154 PolarHBondContact O-N 2.93Å; C150-T154 PolarHBondContact O-OG1 2.91Å; C150-E217 VanDerWaalsContact CB-OE1 3.3Å; C150-E217 WeakPolarHBondContact CB-OE1 3.28Å; C150-P218 HydrophobicContact CB-CG 3.83Å
151	R	97.4	Very high	96.2	Very high	61 Å²	61	22.7 Å²	22.7	23%	0.23	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-41.3	179	-67.8	168.4	-172.8	78.5	-0.7	111.4	L153 T154 Q155 M176 D180 E217	R151-L153 PolarHBondContact O-N 2.91Å; R151-T154 PolarHBondContact O-N 3.47Å; R151-T154 PolarHBondContact O-OG1 3.48Å; R151-Q155 VanDerWaalsContact O-CB 3.24Å; R151-Q155 WeakPolarHBondContact O-CB 3.27Å; R151-Q155 WeakPolarHBondContact O-CG 3.44Å; R151-Q155 PolarHBondContact O-N 2.89Å; R151-M176 HydrophobicContact CB-SD 4.4Å; R151-M176 HydrophobicContact CG-CB 4.01Å; R151-M176 HydrophobicContact CG-CG 3.73Å; R151-M176 HydrophobicContact CG-SD 3.73Å; R151-D180 IonicContact CZ-OD2 3.54Å; R151-D180 IonicContact NH1-OD1 3.6Å; R151-D180 PolarHBondContact NH1-OD1 2.82Å; R151-D180 IonicContact NH1-OD2 3.61Å; R151-D180 PolarHBondContact NH1-OD2 3.21Å; R151-D180 IonicContact NH2-OD2 3.71Å; R151-D180 PolarHBondContact NH2-OD2 3.43Å; R151-E217 WeakPolarHBondContact CB-OE2 3.12Å; R151-E217 WeakPolarHBondContact CG-OE2 3.32Å; R151-E217 IonicContact CZ-OE2 2.87Å; R151-E217 VanDerWaalsContact N-CD 3.34Å; R151-E217 PolarHBondContact N-OE1 2.88Å; R151-E217 PolarHBondContact N-OE2 2.98Å; R151-E217 VanDerWaalsContact N-OE2 3.07Å; R151-E217 IonicContact NH1-OE2 3.75Å; R151-E217 PolarHBondContact NH1-OE2 2.76Å
152	H	95.3	Very high	96	Very high	33 Å²	33	22.7 Å²	22.7	15%	0.153	10%	0.1	C	C	.	.	H	α-helix	trans	-56.6	-48.5	-176.5	-173.9	61.8	0	0	0	112.5	Y156 E217 P469 H471	H152-Y156 WeakPolarHBondContact O-CB 3.39Å; H152-Y156 PolarHBondContact O-N 3.3Å; H152-E217 PolarHBondContact N-OE1 3.22Å; H152-E217 VanDerWaalsContact N-OE1 3.11Å; H152-P469 PolarHBondContact CE1-O 3.09Å; H152-P469 PolarHBondContact NE2-O 3.27Å; H152-H471 AromaticContact CE1-ND1 3.96Å; H152-H471 AromaticContact ND1-CE1 3.86Å; H152-H471 AromaticContact ND1-ND1 3.83Å
153	L	94.8	Very high	96	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-77	-42.8	-178	-90.4	64.5	0	0	0	111.7	N147 C150 R151 Q155 Y156 F157 W229	N147-L153 HydrophobicContact CB-CD2 4.45Å; N147-L153 WeakPolarHBondContact ND2-CD2 3.38Å; C150-L153 PolarHBondContact SG-N 2.81Å; C150-L153 VanDerWaalsContact SG-N 3.43Å; R151-L153 PolarHBondContact O-N 2.91Å; L153-Q155 VanDerWaalsContact C-N 3.28Å; L153-Q155 PolarHBondContact O-N 2.96Å; L153-Y156 PolarHBondContact O-N 3.41Å; L153-F157 HydrophobicContact CB-CD2 4.21Å; L153-F157 HydrophobicContact CD2-CE2 4.39Å; L153-F157 HydrophobicContact CG-CD2 4.27Å; L153-F157 HydrophobicContact CG-CE2 4.13Å; L153-F157 WeakPolarHBondContact O-CD2 3.38Å; L153-F157 PolarHBondContact O-N 2.72Å; L153-W229 HydrophobicContact CD1-CH2 4.15Å; L153-W229 HydrophobicContact CD1-CZ2 3.61Å; L153-W229 HydrophobicContact CD2-CH2 3.8Å; L153-W229 HydrophobicContact CD2-CZ2 3.6Å; L153-W229 HydrophobicContact CG-CH2 4.48Å; L153-W229 HydrophobicContact CG-CZ2 4.23Å
154	T	96.2	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.6	-24.1	-175.9	58.4	0	0	0	0	113.6	V117 H148 C150 R151 F159 R160 Y172 M176	V117-T154 HydrophobicContact CG2-CG2 3.99Å; H148-T154 WeakPolarHBondContact O-CG2 3.24Å; C150-T154 WeakPolarHBondContact O-CB 3.28Å; C150-T154 WeakPolarHBondContact O-CG2 3.43Å; C150-T154 PolarHBondContact O-N 2.93Å; C150-T154 PolarHBondContact O-OG1 2.91Å; R151-T154 PolarHBondContact O-N 3.47Å; R151-T154 PolarHBondContact O-OG1 3.48Å; T154-F159 HydrophobicContact CG2-CB 3.99Å; T154-F159 HydrophobicContact CG2-CD1 3.67Å; T154-F159 HydrophobicContact CG2-CG 4.3Å; T154-R160 WeakPolarHBondContact O-CB 3.36Å; T154-R160 PolarHBondContact O-N 3.28Å; T154-R160 VanDerWaalsContact O-N 3.08Å; T154-Y172 WeakPolarHBondContact OG1-CE2 3.32Å; T154-Y172 PolarHBondContact OG1-OH 3.42Å; T154-M176 HydrophobicContact CG2-CE 4.11Å; T154-M176 PolarHBondContact OG1-SD 3.37Å; T154-M176 VanDerWaalsContact OG1-SD 3.35Å
155	Q	93.8	Very high	95.6	Very high	102 Å²	102	28 Å²	28	48%	0.477	13%	0.127	S	C	.	.	H	α-helix	trans	-74.6	-31.2	168.7	-74.2	177.5	-2.2	0	0	112.8	R151 L153 Y172	R151-Q155 VanDerWaalsContact O-CB 3.24Å; R151-Q155 WeakPolarHBondContact O-CB 3.27Å; R151-Q155 WeakPolarHBondContact O-CG 3.44Å; R151-Q155 PolarHBondContact O-N 2.89Å; L153-Q155 VanDerWaalsContact C-N 3.28Å; L153-Q155 PolarHBondContact O-N 2.96Å; Q155-Y172 WeakPolarHBondContact CG-OH 3.14Å
156	Y	89.5	Confident	95.4	Very high	68 Å²	68	28.7 Å²	28.7	27%	0.267	13%	0.13	S	C	.	.	H	α-helix	trans	-83.8	-42.3	-177.6	-177	-103.9	0	0	0	112.2	H152 L153 P424 P469	H152-Y156 WeakPolarHBondContact O-CB 3.39Å; H152-Y156 PolarHBondContact O-N 3.3Å; L153-Y156 PolarHBondContact O-N 3.41Å; Y156-P424 HydrophobicContact CD1-CB 3.89Å; Y156-P424 HydrophobicContact CD1-CG 4Å; Y156-P424 HydrophobicContact CE1-CB 3.67Å; Y156-P424 HydrophobicContact CE1-CG 3.37Å; Y156-P424 HydrophobicContact CE2-CB 4.4Å; Y156-P424 HydrophobicContact CG-CB 4.4Å; Y156-P424 WeakPolarHBondContact O-CB 3.5Å; Y156-P469 HydrophobicContact CD1-CB 3.62Å; Y156-P469 HydrophobicContact CD1-CG 3.21Å; Y156-P469 HydrophobicContact CD2-CB 3.72Å; Y156-P469 HydrophobicContact CD2-CG 4.23Å; Y156-P469 HydrophobicContact CE1-CB 3.76Å; Y156-P469 HydrophobicContact CE1-CG 3.59Å; Y156-P469 HydrophobicContact CE2-CB 3.94Å; Y156-P469 HydrophobicContact CG-CB 3.57Å; Y156-P469 HydrophobicContact CG-CG 3.56Å
157	F	90.4	Very high	95.3	Very high	14 Å²	14	30 Å²	30	6%	0.061	14%	0.14	C	C	.	.	S	Bend	trans	-91.7	-142.3	178.7	-67.7	-64.8	0	0	0	111.6	D118 H148 L153 P424 N465 P469	D118-F157 HydrophobicContact CB-CB 3.87Å; D118-F157 HydrophobicContact CB-CG 4.5Å; D118-F157 WeakPolarHBondContact OD1-CB 3.39Å; H148-F157 AromaticContact CE1-CD2 3.72Å; H148-F157 AromaticContact CE1-CE2 3.76Å; L153-F157 HydrophobicContact CB-CD2 4.21Å; L153-F157 HydrophobicContact CD2-CE2 4.39Å; L153-F157 HydrophobicContact CG-CD2 4.27Å; L153-F157 HydrophobicContact CG-CE2 4.13Å; L153-F157 WeakPolarHBondContact O-CD2 3.38Å; L153-F157 PolarHBondContact O-N 2.72Å; F157-P424 HydrophobicContact CD1-CB 4.02Å; F157-P424 HydrophobicContact CD1-CG 3.81Å; F157-P424 HydrophobicContact CE1-CB 4.33Å; F157-P424 HydrophobicContact CE1-CG 3.66Å; F157-N465 HydrophobicContact CE1-CB 4.13Å; F157-N465 HydrophobicContact CZ-CB 4.34Å; F157-N465 WeakPolarHBondContact CZ-O 3.42Å; F157-P469 HydrophobicContact CE2-CG 4.36Å
158	T	90.4	Very high	95.3	Very high	26 Å²	26	31.7 Å²	31.7	16%	0.16	15%	0.15	C	C	.	.	S	Bend	trans	-97	-24	-160.7	56.4	0	0	0	0	113.4	D118 R119 G120 R160 Q161 E162	D118-T158 WeakPolarHBondContact CA-OG1 3.21Å; D118-T158 PolarHBondContact OD1-N 2.82Å; R119-T158 PolarHBondContact N-OG1 3.09Å; R119-T158 VanDerWaalsContact N-OG1 3.09Å; G120-T158 PolarHBondContact O-OG1 3.42Å; T158-R160 PolarHBondContact O-N 2.89Å; T158-Q161 PolarHBondContact O-N 3.44Å; T158-E162 VanDerWaalsContact O-CB 3.31Å; T158-E162 WeakPolarHBondContact O-CB 3.14Å; T158-E162 PolarHBondContact O-N 2.88Å
159	F	95.9	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-40.7	-164.1	-176.7	-132.7	0	0	0	114.2	V117 D118 L124 V127 T154 E162 C163 Y172 C175 M176 F179	V117-F159 HydrophobicContact CB-CB 4.15Å; V117-F159 HydrophobicContact CB-CD1 4.05Å; V117-F159 HydrophobicContact CB-CD2 4Å; V117-F159 HydrophobicContact CB-CE1 4.43Å; V117-F159 HydrophobicContact CB-CE2 4.37Å; V117-F159 HydrophobicContact CB-CG 3.81Å; V117-F159 HydrophobicContact CG1-CD1 4.14Å; V117-F159 HydrophobicContact CG1-CD2 4Å; V117-F159 HydrophobicContact CG1-CE1 4.01Å; V117-F159 HydrophobicContact CG1-CE2 3.85Å; V117-F159 HydrophobicContact CG1-CG 4.12Å; V117-F159 HydrophobicContact CG1-CZ 3.85Å; V117-F159 HydrophobicContact CG2-CB 4.32Å; V117-F159 HydrophobicContact CG2-CD1 3.97Å; V117-F159 HydrophobicContact CG2-CE1 4.47Å; V117-F159 HydrophobicContact CG2-CG 4.12Å; D118-F159 WeakPolarHBondContact OD1-CB 3.4Å; D118-F159 PolarHBondContact OD1-N 2.71Å; L124-F159 HydrophobicContact CB-CE2 4.5Å; V127-F159 HydrophobicContact CG2-CE2 4.34Å; V127-F159 HydrophobicContact CG2-CZ 3.96Å; T154-F159 HydrophobicContact CG2-CB 3.99Å; T154-F159 HydrophobicContact CG2-CD1 3.67Å; T154-F159 HydrophobicContact CG2-CG 4.3Å; F159-E162 WeakPolarHBondContact O-CB 3.33Å; F159-E162 PolarHBondContact O-N 3.14Å; F159-C163 WeakPolarHBondContact CE2-SG 3.35Å; F159-C163 PolarHBondContact O-N 2.76Å; F159-C163 PolarHBondContact O-SG 3.45Å; F159-Y172 HydrophobicContact CD1-CD2 4.35Å; F159-Y172 HydrophobicContact CD1-CE2 4.37Å; F159-C175 HydrophobicContact CE1-CB 3.86Å; F159-C175 HydrophobicContact CZ-CB 4.01Å; F159-M176 HydrophobicContact CD1-CE 3.89Å; F159-M176 HydrophobicContact CE1-CE 3.7Å; F159-F179 HydrophobicContact CD1-CE2 4.19Å; F159-F179 AromaticContact CE1-CE2 3.67Å; F159-F179 HydrophobicContact CE1-CE2 3.67Å; F159-F179 AromaticContact CE1-CZ 3.85Å; F159-F179 HydrophobicContact CE1-CZ 3.85Å; F159-F179 HydrophobicContact CZ-CZ 4.28Å
160	R	96.2	Very high	95.3	Very high	61 Å²	61	39.8 Å²	39.8	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-48.4	177.1	-177.6	171.6	179.8	-84.3	-6.1	111.3	T154 T158 E162 C163 I164 E169 Y172	T154-R160 WeakPolarHBondContact O-CB 3.36Å; T154-R160 PolarHBondContact O-N 3.28Å; T154-R160 VanDerWaalsContact O-N 3.08Å; T158-R160 PolarHBondContact O-N 2.89Å; R160-E162 VanDerWaalsContact C-N 3.28Å; R160-E162 PolarHBondContact O-N 2.86Å; R160-C163 PolarHBondContact O-N 3.38Å; R160-I164 HydrophobicContact CG-CD1 4.02Å; R160-I164 WeakPolarHBondContact O-CG1 3.07Å; R160-I164 PolarHBondContact O-N 2.8Å; R160-I164 VanDerWaalsContact O-N 3.08Å; R160-E169 IonicContact CZ-OE1 3.66Å; R160-E169 IonicContact CZ-OE2 3.15Å; R160-E169 VanDerWaalsContact CZ-OE2 3.3Å; R160-E169 IonicContact NE-OE1 3.97Å; R160-E169 PolarHBondContact NE-OE1 2.86Å; R160-E169 IonicContact NE-OE2 2.88Å; R160-E169 IonicContact NH2-OE1 2.73Å; R160-E169 PolarHBondContact NH2-OE1 2.98Å; R160-E169 IonicContact NH2-OE2 2.69Å; R160-E169 PolarHBondContact NH2-OE2 3.49Å; R160-Y172 HydrophobicContact CB-CD2 3.78Å; R160-Y172 HydrophobicContact CB-CE1 4.35Å; R160-Y172 HydrophobicContact CB-CE2 3.56Å; R160-Y172 HydrophobicContact CB-CG 4.27Å; R160-Y172 HydrophobicContact CG-CD1 3.84Å; R160-Y172 HydrophobicContact CG-CD2 3.93Å; R160-Y172 HydrophobicContact CG-CE1 3.85Å; R160-Y172 HydrophobicContact CG-CE2 3.93Å; R160-Y172 HydrophobicContact CG-CG 3.89Å
161	Q	93	Very high	95.3	Very high	70 Å²	70	39.5 Å²	39.5	33%	0.327	19%	0.186	S	C	.	.	H	α-helix	trans	-61.6	-40.6	177.7	-174.3	60.1	39.2	0	0	111	T158 C163 I164 M165 F343	T158-Q161 PolarHBondContact O-N 3.44Å; Q161-C163 PolarHBondContact O-N 2.96Å; Q161-I164 PolarHBondContact O-N 2.68Å; Q161-M165 HydrophobicContact CG-CG 4.28Å; Q161-M165 VanDerWaalsContact NE2-CG 3.29Å; Q161-M165 WeakPolarHBondContact O-CB 3.27Å; Q161-M165 VanDerWaalsContact O-CG 3.23Å; Q161-M165 WeakPolarHBondContact O-CG 3.38Å; Q161-M165 PolarHBondContact O-N 3.24Å; Q161-F343 HydrophobicContact CG-CD2 4.1Å
162	E	95.7	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.7	-49.1	175.4	-174.5	178.8	157.6	0	0	111.7	F122 S123 L124 T158 F159 R160 I164 M165 K166 F343	F122-E162 WeakPolarHBondContact CA-OE1 3.33Å; S123-E162 WeakPolarHBondContact CB-OE2 3.36Å; S123-E162 VanDerWaalsContact N-CD 3.35Å; S123-E162 PolarHBondContact N-OE1 3.33Å; S123-E162 PolarHBondContact N-OE2 3.47Å; S123-E162 VanDerWaalsContact N-OE2 3.08Å; S123-E162 PolarHBondContact OG-OE2 3.44Å; L124-E162 PolarHBondContact N-OE1 2.84Å; T158-E162 VanDerWaalsContact O-CB 3.31Å; T158-E162 WeakPolarHBondContact O-CB 3.14Å; T158-E162 PolarHBondContact O-N 2.88Å; F159-E162 WeakPolarHBondContact O-CB 3.33Å; F159-E162 PolarHBondContact O-N 3.14Å; R160-E162 VanDerWaalsContact C-N 3.28Å; R160-E162 PolarHBondContact O-N 2.86Å; E162-I164 PolarHBondContact O-N 2.74Å; E162-M165 PolarHBondContact O-N 2.63Å; E162-K166 HydrophobicContact CG-CD 3.76Å; E162-K166 HydrophobicContact CG-CG 4.33Å; E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.3Å; E162-K166 PolarHBondContact O-N 2.94Å; E162-K166 IonicContact OE1-NZ 3.37Å; E162-K166 PolarHBondContact OE1-NZ 3.12Å; E162-F343 HydrophobicContact CB-CE1 4.29Å; E162-F343 HydrophobicContact CB-CE2 3.65Å; E162-F343 HydrophobicContact CB-CZ 3.42Å; E162-F343 VanDerWaalsContact CB-CZ 3.42Å; E162-F343 HydrophobicContact CG-CE1 3.93Å; E162-F343 HydrophobicContact CG-CE2 4.2Å; E162-F343 HydrophobicContact CG-CZ 3.44Å; E162-F343 VanDerWaalsContact CG-CZ 3.44Å
163	C	97.9	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-44.5	178.4	-71.5	0	0	0	0	112.1	F159 R160 Q161 S167 T168	F159-C163 WeakPolarHBondContact CE2-SG 3.35Å; F159-C163 PolarHBondContact O-N 2.76Å; F159-C163 PolarHBondContact O-SG 3.45Å; R160-C163 PolarHBondContact O-N 3.38Å; Q161-C163 PolarHBondContact O-N 2.96Å; C163-S167 CarbonylContact O-C 3.18Å; C163-S167 VanDerWaalsContact O-CA 3.28Å; C163-S167 WeakPolarHBondContact O-CA 3.28Å; C163-S167 PolarHBondContact O-N 3.11Å; C163-T168 PolarHBondContact O-N 3.28Å
164	I	95.9	Very high	95.7	Very high	58 Å²	58	39.1 Å²	39.1	30%	0.297	19%	0.189	S	C	.	.	H	α-helix	trans	-63.9	-42.1	178.1	-63.4	163.1	0	0	0	111.1	R160 Q161 E162 E169	R160-I164 HydrophobicContact CG-CD1 4.02Å; R160-I164 WeakPolarHBondContact O-CG1 3.07Å; R160-I164 PolarHBondContact O-N 2.8Å; R160-I164 VanDerWaalsContact O-N 3.08Å; Q161-I164 PolarHBondContact O-N 2.68Å; E162-I164 PolarHBondContact O-N 2.74Å; I164-E169 WeakPolarHBondContact CD1-OE2 3.36Å; I164-E169 VanDerWaalsContact CG1-OE2 3.28Å; I164-E169 WeakPolarHBondContact CG1-OE2 3.47Å
165	M	93.3	Very high	95.8	Very high	72 Å²	72	39.1 Å²	39.1	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-71.4	-38	-178.7	-72.7	-61.8	-63.1	0	0	112.8	Q161 E162 F343	Q161-M165 HydrophobicContact CG-CG 4.28Å; Q161-M165 VanDerWaalsContact NE2-CG 3.29Å; Q161-M165 WeakPolarHBondContact O-CB 3.27Å; Q161-M165 VanDerWaalsContact O-CG 3.23Å; Q161-M165 WeakPolarHBondContact O-CG 3.38Å; Q161-M165 PolarHBondContact O-N 3.24Å; E162-M165 PolarHBondContact O-N 2.63Å; M165-F343 HydrophobicContact CB-CB 4.46Å; M165-F343 HydrophobicContact CB-CG 4.48Å; M165-F343 HydrophobicContact CE-CB 4.26Å; M165-F343 HydrophobicContact CG-CB 3.95Å; M165-F343 HydrophobicContact CG-CG 4.29Å
166	K	95.3	Very high	96.1	Very high	14 Å²	14	34.3 Å²	34.3	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-93.9	-27	-174.4	-66.4	-174.3	-178.8	178.7	0	113.5	R52 Y121 L124 E125 E162	R52-K166 WeakPolarHBondContact CD-O 3.36Å; Y121-K166 WeakPolarHBondContact O-CE 3.1Å; Y121-K166 PolarHBondContact O-NZ 3.24Å; L124-K166 HydrophobicContact CD2-CB 3.99Å; E125-K166 IonicContact OE1-NZ 2.77Å; E125-K166 PolarHBondContact OE1-NZ 3.25Å; E125-K166 IonicContact OE2-NZ 3.62Å; E125-K166 PolarHBondContact OE2-NZ 2.85Å; E162-K166 HydrophobicContact CG-CD 3.76Å; E162-K166 HydrophobicContact CG-CG 4.33Å; E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.3Å; E162-K166 PolarHBondContact O-N 2.94Å; E162-K166 IonicContact OE1-NZ 3.37Å; E162-K166 PolarHBondContact OE1-NZ 3.12Å
167	S	96.9	Very high	96.5	Very high	28 Å²	28	36.7 Å²	36.7	20%	0.196	18%	0.18	C	C	.	.	S	Bend	trans	-141.7	-106.2	-179.7	-170.7	0	0	0	0	110.8	C163 V171	C163-S167 CarbonylContact O-C 3.18Å; C163-S167 VanDerWaalsContact O-CA 3.28Å; C163-S167 WeakPolarHBondContact O-CA 3.28Å; C163-S167 PolarHBondContact O-N 3.11Å; S167-V171 WeakPolarHBondContact OG-CG2 3.41Å
168	T	97.7	Very high	96.9	Very high	39 Å²	39	36 Å²	36	24%	0.239	18%	0.177	C	C	.	.			trans	-149.4	162.4	-173.8	61.6	0	0	0	0	110.8	E55 C163 Q170 V171 Y172	E55-T168 VanDerWaalsContact CD-OG1 3.26Å; E55-T168 HydrophobicContact CG-CG2 4.46Å; E55-T168 WeakPolarHBondContact OE1-CB 3.39Å; E55-T168 WeakPolarHBondContact OE1-CG2 3.33Å; E55-T168 PolarHBondContact OE1-OG1 3.29Å; E55-T168 WeakPolarHBondContact OE2-CG2 3.41Å; C163-T168 PolarHBondContact O-N 3.28Å; T168-Q170 PolarHBondContact O-N 2.84Å; T168-V171 PolarHBondContact O-N 3.15Å; T168-V171 PolarHBondContact OG1-N 3.21Å; T168-Y172 PolarHBondContact O-N 3.42Å
169	E	98	Very high	97.3	Very high	61 Å²	61	34.8 Å²	34.8	29%	0.285	17%	0.169	S	C	.	.	H	α-helix	trans	-60.3	-33	169.7	-171.6	75.4	-151.8	0	0	111.8	R160 I164 V171 Y172 E173	R160-E169 IonicContact CZ-OE1 3.66Å; R160-E169 IonicContact CZ-OE2 3.15Å; R160-E169 VanDerWaalsContact CZ-OE2 3.3Å; R160-E169 IonicContact NE-OE1 3.97Å; R160-E169 PolarHBondContact NE-OE1 2.86Å; R160-E169 IonicContact NE-OE2 2.88Å; R160-E169 IonicContact NH2-OE1 2.73Å; R160-E169 PolarHBondContact NH2-OE1 2.98Å; R160-E169 IonicContact NH2-OE2 2.69Å; R160-E169 PolarHBondContact NH2-OE2 3.49Å; I164-E169 WeakPolarHBondContact CD1-OE2 3.36Å; I164-E169 VanDerWaalsContact CG1-OE2 3.28Å; I164-E169 WeakPolarHBondContact CG1-OE2 3.47Å; E169-V171 VanDerWaalsContact C-N 3.29Å; E169-V171 PolarHBondContact O-N 2.98Å; E169-Y172 WeakPolarHBondContact O-CA 3.34Å; E169-Y172 VanDerWaalsContact O-CB 3.31Å; E169-Y172 WeakPolarHBondContact O-CB 3.47Å; E169-Y172 PolarHBondContact O-N 2.95Å; E169-Y172 WeakPolarHBondContact OE1-CD1 3.34Å; E169-E173 PolarHBondContact O-N 2.83Å
170	Q	98.5	Very high	97.4	Very high	121 Å²	121	35.7 Å²	35.7	57%	0.565	17%	0.174	S	C	*	.	H	α-helix	trans	-64	-35.5	179.4	-176.2	176.8	-17.6	0	0	111.9	E55 L59 T168 Y172 A174	E55-Q170 WeakPolarHBondContact OE1-CB 3.4Å; L59-Q170 HydrophobicContact CD1-CG 4.24Å; L59-Q170 HydrophobicContact CD2-CG 4.26Å; T168-Q170 PolarHBondContact O-N 2.84Å; Q170-Y172 VanDerWaalsContact C-N 3.34Å; Q170-A174 WeakPolarHBondContact O-CB 3.39Å; Q170-A174 PolarHBondContact O-N 2.98Å
171	V	98.8	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-40.7	171.6	166.3	0	0	0	0	111.3	E55 I58 L59 I62 L124 S167 T168 E169 A174 C175	E55-V171 HydrophobicContact CG-CG2 4.11Å; I58-V171 HydrophobicContact CB-CG2 4.23Å; I58-V171 HydrophobicContact CG2-CG1 3.67Å; I58-V171 HydrophobicContact CG2-CG2 4.01Å; L59-V171 HydrophobicContact CD2-CG2 4.04Å; L59-V171 HydrophobicContact CG-CG2 4.2Å; I62-V171 HydrophobicContact CD1-CG1 4.19Å; L124-V171 HydrophobicContact CD1-CG1 3.84Å; S167-V171 WeakPolarHBondContact OG-CG2 3.41Å; T168-V171 PolarHBondContact O-N 3.15Å; T168-V171 PolarHBondContact OG1-N 3.21Å; E169-V171 VanDerWaalsContact C-N 3.29Å; E169-V171 PolarHBondContact O-N 2.98Å; V171-A174 PolarHBondContact O-N 3.09Å; V171-C175 PolarHBondContact O-N 3.01Å; V171-C175 PolarHBondContact O-SG 2.98Å
172	Y	98.7	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-50.9	175.3	169.3	-104.3	0	0	0	111.6	T154 Q155 F159 R160 T168 E169 Q170 A174 C175 M176	T154-Y172 WeakPolarHBondContact OG1-CE2 3.32Å; T154-Y172 PolarHBondContact OG1-OH 3.42Å; Q155-Y172 WeakPolarHBondContact CG-OH 3.14Å; F159-Y172 HydrophobicContact CD1-CD2 4.35Å; F159-Y172 HydrophobicContact CD1-CE2 4.37Å; R160-Y172 HydrophobicContact CB-CD2 3.78Å; R160-Y172 HydrophobicContact CB-CE1 4.35Å; R160-Y172 HydrophobicContact CB-CE2 3.56Å; R160-Y172 HydrophobicContact CB-CG 4.27Å; R160-Y172 HydrophobicContact CG-CD1 3.84Å; R160-Y172 HydrophobicContact CG-CD2 3.93Å; R160-Y172 HydrophobicContact CG-CE1 3.85Å; R160-Y172 HydrophobicContact CG-CE2 3.93Å; R160-Y172 HydrophobicContact CG-CG 3.89Å; T168-Y172 PolarHBondContact O-N 3.42Å; E169-Y172 WeakPolarHBondContact O-CA 3.34Å; E169-Y172 VanDerWaalsContact O-CB 3.31Å; E169-Y172 WeakPolarHBondContact O-CB 3.47Å; E169-Y172 PolarHBondContact O-N 2.95Å; E169-Y172 WeakPolarHBondContact OE1-CD1 3.34Å; Q170-Y172 VanDerWaalsContact C-N 3.34Å; Y172-A174 VanDerWaalsContact C-N 3.31Å; Y172-A174 PolarHBondContact O-N 3.43Å; Y172-C175 WeakPolarHBondContact O-CB 3.34Å; Y172-C175 PolarHBondContact O-N 3.44Å; Y172-C175 VanDerWaalsContact O-N 3.09Å; Y172-M176 HydrophobicContact CD1-CG 4.4Å; Y172-M176 HydrophobicContact CD2-CE 4.04Å; Y172-M176 HydrophobicContact CD2-CG 4.37Å; Y172-M176 HydrophobicContact CE1-CG 3.88Å; Y172-M176 HydrophobicContact CE2-CE 3.56Å; Y172-M176 HydrophobicContact CE2-CG 3.85Å; Y172-M176 HydrophobicContact CE2-SD 3.69Å; Y172-M176 WeakPolarHBondContact O-CG 3.5Å; Y172-M176 PolarHBondContact O-N 3.12Å; Y172-M176 PolarHBondContact OH-SD 3.05Å
173	E	98.7	Very high	98	Very high	77 Å²	77	30.7 Å²	30.7	36%	0.36	15%	0.154	S	C	.	.	H	α-helix	trans	-60.4	-41.2	179.4	-66.9	-60.5	158.2	0	0	111.8	E169 C175 M176 E177	E169-E173 PolarHBondContact O-N 2.83Å; E173-C175 VanDerWaalsContact C-N 3.34Å; E173-C175 PolarHBondContact O-N 3.37Å; E173-M176 WeakPolarHBondContact O-CB 3.09Å; E173-M176 PolarHBondContact O-N 2.99Å; E173-M176 VanDerWaalsContact O-N 3.12Å; E173-E177 PolarHBondContact O-N 3.32Å
174	A	98.8	Very high	98	Very high	10 Å²	10	30.7 Å²	30.7	8%	0.083	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-39.1	174.9	0	0	0	0	0	112.3	L59 I62 Q170 V171 Y172 M176 E177 A178	L59-A174 HydrophobicContact CD2-CB 3.63Å; I62-A174 HydrophobicContact CD1-CB 4.12Å; I62-A174 HydrophobicContact CG2-CB 3.95Å; I62-A174 WeakPolarHBondContact CG2-O 3.38Å; Q170-A174 WeakPolarHBondContact O-CB 3.39Å; Q170-A174 PolarHBondContact O-N 2.98Å; V171-A174 PolarHBondContact O-N 3.09Å; Y172-A174 VanDerWaalsContact C-N 3.31Å; Y172-A174 PolarHBondContact O-N 3.43Å; A174-M176 VanDerWaalsContact C-N 3.34Å; A174-E177 PolarHBondContact O-N 2.77Å; A174-A178 WeakPolarHBondContact O-CB 3.32Å; A174-A178 PolarHBondContact O-N 2.91Å
175	C	98.8	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-41.4	172.5	-71.4	0	0	0	0	111.5	I62 F159 V171 Y172 E173 A178 F179	I62-C175 VanDerWaalsContact CD1-SG 3.51Å; F159-C175 HydrophobicContact CE1-CB 3.86Å; F159-C175 HydrophobicContact CZ-CB 4.01Å; V171-C175 PolarHBondContact O-N 3.01Å; V171-C175 PolarHBondContact O-SG 2.98Å; Y172-C175 WeakPolarHBondContact O-CB 3.34Å; Y172-C175 PolarHBondContact O-N 3.44Å; Y172-C175 VanDerWaalsContact O-N 3.09Å; E173-C175 VanDerWaalsContact C-N 3.34Å; E173-C175 PolarHBondContact O-N 3.37Å; C175-A178 PolarHBondContact O-N 3.46Å; C175-F179 HydrophobicContact CB-CZ 4.46Å; C175-F179 WeakPolarHBondContact O-CB 3.33Å; C175-F179 WeakPolarHBondContact O-CD1 3.4Å; C175-F179 WeakPolarHBondContact O-CG 3.46Å; C175-F179 PolarHBondContact O-N 3.01Å
176	M	98.8	Very high	98.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-43.3	178.6	-63.1	-57.3	97.9	0	0	111.6	R151 T154 F159 Y172 E173 A174 A178 F179 D180	R151-M176 HydrophobicContact CB-SD 4.4Å; R151-M176 HydrophobicContact CG-CB 4.01Å; R151-M176 HydrophobicContact CG-CG 3.73Å; R151-M176 HydrophobicContact CG-SD 3.73Å; T154-M176 HydrophobicContact CG2-CE 4.11Å; T154-M176 PolarHBondContact OG1-SD 3.37Å; T154-M176 VanDerWaalsContact OG1-SD 3.35Å; F159-M176 HydrophobicContact CD1-CE 3.89Å; F159-M176 HydrophobicContact CE1-CE 3.7Å; Y172-M176 HydrophobicContact CD1-CG 4.4Å; Y172-M176 HydrophobicContact CD2-CE 4.04Å; Y172-M176 HydrophobicContact CD2-CG 4.37Å; Y172-M176 HydrophobicContact CE1-CG 3.88Å; Y172-M176 HydrophobicContact CE2-CE 3.56Å; Y172-M176 HydrophobicContact CE2-CG 3.85Å; Y172-M176 HydrophobicContact CE2-SD 3.69Å; Y172-M176 WeakPolarHBondContact O-CG 3.5Å; Y172-M176 PolarHBondContact O-N 3.12Å; Y172-M176 PolarHBondContact OH-SD 3.05Å; E173-M176 WeakPolarHBondContact O-CB 3.09Å; E173-M176 PolarHBondContact O-N 2.99Å; E173-M176 VanDerWaalsContact O-N 3.12Å; A174-M176 VanDerWaalsContact C-N 3.34Å; M176-A178 VanDerWaalsContact C-N 3.32Å; M176-A178 PolarHBondContact O-N 2.83Å; M176-F179 HydrophobicContact CE-CD2 3.44Å; M176-F179 VanDerWaalsContact CE-CD2 3.44Å; M176-F179 HydrophobicContact CE-CE2 3.53Å; M176-F179 HydrophobicContact CE-CG 4.48Å; M176-F179 PolarHBondContact O-N 3.44Å; M176-F179 HydrophobicContact SD-CD2 4.38Å; M176-D180 PolarHBondContact O-N 2.93Å; M176-D180 VanDerWaalsContact O-N 3.12Å
177	E	98.7	Very high	98.6	Very high	119 Å²	119	23.9 Å²	23.9	56%	0.556	12%	0.12	S	C	*	.	H	α-helix	trans	-60.1	-42.3	173	-69.7	-178.6	-176	0	0	111.8	E173 A174 D180 L181	E173-E177 PolarHBondContact O-N 3.32Å; A174-E177 PolarHBondContact O-N 2.77Å; E177-D180 PolarHBondContact O-N 3.25Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å
178	A	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-39	177	0	0	0	0	0	112.6	I62 S66 F131 A174 C175 M176 D180 L181	I62-A178 HydrophobicContact CG2-CB 3.85Å; S66-A178 WeakPolarHBondContact OG-CA 3.41Å; S66-A178 WeakPolarHBondContact OG-CB 3.2Å; F131-A178 HydrophobicContact CE2-CB 3.79Å; F131-A178 HydrophobicContact CZ-CB 4.1Å; A174-A178 WeakPolarHBondContact O-CB 3.32Å; A174-A178 PolarHBondContact O-N 2.91Å; C175-A178 PolarHBondContact O-N 3.46Å; M176-A178 VanDerWaalsContact C-N 3.32Å; M176-A178 PolarHBondContact O-N 2.83Å; A178-D180 VanDerWaalsContact C-N 3.29Å; A178-D180 PolarHBondContact O-N 3.35Å; A178-L181 WeakPolarHBondContact O-CB 3.25Å; A178-L181 PolarHBondContact O-N 3.31Å
179	F	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-33.8	178.7	-72.6	-3.6	0	0	0	112.4	V117 V127 F131 R145 E149 F159 C175 M176 L181 L182	V117-F179 HydrophobicContact CG1-CE2 4.3Å; V117-F179 HydrophobicContact CG1-CZ 3.8Å; V117-F179 HydrophobicContact CG2-CE2 4.01Å; V117-F179 HydrophobicContact CG2-CZ 4.29Å; V127-F179 HydrophobicContact CG2-CE1 4.28Å; V127-F179 HydrophobicContact CG2-CZ 3.99Å; F131-F179 HydrophobicContact CZ-CD1 4.26Å; F131-F179 HydrophobicContact CZ-CE1 4.02Å; R145-F179 VanDerWaalsContact CZ-O 3.27Å; R145-F179 PolarHBondContact NE-O 3.26Å; E149-F179 VanDerWaalsContact CA-CD2 3.48Å; E149-F179 HydrophobicContact CB-CB 3.93Å; E149-F179 HydrophobicContact CB-CD1 4.3Å; E149-F179 HydrophobicContact CB-CD2 3.73Å; E149-F179 HydrophobicContact CB-CE2 4.28Å; E149-F179 HydrophobicContact CB-CG 3.74Å; E149-F179 HydrophobicContact CG-CB 4.47Å; E149-F179 HydrophobicContact CG-CD1 3.9Å; E149-F179 HydrophobicContact CG-CD2 3.82Å; E149-F179 HydrophobicContact CG-CE1 4Å; E149-F179 HydrophobicContact CG-CE2 3.91Å; E149-F179 HydrophobicContact CG-CG 3.8Å; E149-F179 HydrophobicContact CG-CZ 4.01Å; F159-F179 HydrophobicContact CD1-CE2 4.19Å; F159-F179 AromaticContact CE1-CE2 3.67Å; F159-F179 HydrophobicContact CE1-CE2 3.67Å; F159-F179 AromaticContact CE1-CZ 3.85Å; F159-F179 HydrophobicContact CE1-CZ 3.85Å; F159-F179 HydrophobicContact CZ-CZ 4.28Å; C175-F179 HydrophobicContact CB-CZ 4.46Å; C175-F179 WeakPolarHBondContact O-CB 3.33Å; C175-F179 WeakPolarHBondContact O-CD1 3.4Å; C175-F179 WeakPolarHBondContact O-CG 3.46Å; C175-F179 PolarHBondContact O-N 3.01Å; M176-F179 HydrophobicContact CE-CD2 3.44Å; M176-F179 VanDerWaalsContact CE-CD2 3.44Å; M176-F179 HydrophobicContact CE-CE2 3.53Å; M176-F179 HydrophobicContact CE-CG 4.48Å; M176-F179 PolarHBondContact O-N 3.44Å; M176-F179 HydrophobicContact SD-CD2 4.38Å; F179-L181 PolarHBondContact O-N 2.68Å; F179-L181 VanDerWaalsContact O-N 3.16Å; F179-L182 HydrophobicContact CB-CD1 4.35Å; F179-L182 HydrophobicContact CD1-CD1 3.94Å; F179-L182 HydrophobicContact CG-CD1 4.38Å; F179-L182 WeakPolarHBondContact O-CB 3.47Å; F179-L182 PolarHBondContact O-N 3.27Å
180	D	98.8	Very high	98.7	Very high	18 Å²	18	25.1 Å²	25.1	10%	0.096	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.5	172.2	-67.9	-27.2	0	0	0	112.8	R145 R151 M176 E177 A178 R214 F215 K216 E217	R145-D180 IonicContact CZ-OD1 2.75Å; R145-D180 IonicContact NH1-OD1 3.54Å; R145-D180 IonicContact NH2-OD1 3.9Å; R145-D180 PolarHBondContact NH2-OD1 2.97Å; R151-D180 IonicContact CZ-OD2 3.54Å; R151-D180 IonicContact NH1-OD1 3.6Å; R151-D180 PolarHBondContact NH1-OD1 2.82Å; R151-D180 IonicContact NH1-OD2 3.61Å; R151-D180 PolarHBondContact NH1-OD2 3.21Å; R151-D180 IonicContact NH2-OD2 3.71Å; R151-D180 PolarHBondContact NH2-OD2 3.43Å; M176-D180 PolarHBondContact O-N 2.93Å; M176-D180 VanDerWaalsContact O-N 3.12Å; E177-D180 PolarHBondContact O-N 3.25Å; A178-D180 VanDerWaalsContact C-N 3.29Å; A178-D180 PolarHBondContact O-N 3.35Å; D180-R214 CarbonylContact O-C 3.5Å; D180-F215 WeakPolarHBondContact O-CA 3.4Å; D180-K216 VanDerWaalsContact OD1-O 3.12Å; D180-E217 PolarHBondContact OD1-N 3.19Å
181	L	98.8	Very high	98.6	Very high	26 Å²	26	20.4 Å²	20.4	14%	0.136	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-15.5	-178.7	-50.7	174.5	0	0	0	113.7	S66 L69 K70 E177 A178 F179 R214 F215	S66-L181 WeakPolarHBondContact O-CD1 3.46Å; L69-L181 HydrophobicContact CB-CB 3.75Å; K70-L181 HydrophobicContact CB-CD1 4.26Å; K70-L181 HydrophobicContact CB-CD2 4.34Å; K70-L181 HydrophobicContact CG-CD2 4.41Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å; A178-L181 WeakPolarHBondContact O-CB 3.25Å; A178-L181 PolarHBondContact O-N 3.31Å; F179-L181 PolarHBondContact O-N 2.68Å; F179-L181 VanDerWaalsContact O-N 3.16Å; L181-R214 PolarHBondContact O-NE 3.19Å; L181-R214 PolarHBondContact O-NH2 2.83Å; L181-F215 HydrophobicContact CD2-CD1 3.61Å; L181-F215 HydrophobicContact CD2-CE1 3.97Å
182	L	98.9	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-60.7	132.2	-174.5	-73.9	167.1	0	0	0	111.8	L69 Y116 L143 R145 E149 F179 R214	L69-L182 HydrophobicContact CD1-CD2 3.77Å; L69-L182 HydrophobicContact CD1-CG 4.25Å; L69-L182 HydrophobicContact CD2-CD2 4.05Å; Y116-L182 HydrophobicContact CE2-CD1 4.28Å; L143-L182 HydrophobicContact CB-CD2 3.8Å; R145-L182 HydrophobicContact CB-CB 3.65Å; R145-L182 HydrophobicContact CB-CD1 4.35Å; R145-L182 HydrophobicContact CG-CB 3.98Å; R145-L182 HydrophobicContact CG-CD1 4.15Å; E149-L182 HydrophobicContact CB-CD1 3.92Å; E149-L182 HydrophobicContact CG-CD1 3.66Å; F179-L182 HydrophobicContact CB-CD1 4.35Å; F179-L182 HydrophobicContact CD1-CD1 3.94Å; F179-L182 HydrophobicContact CG-CD1 4.38Å; F179-L182 WeakPolarHBondContact O-CB 3.47Å; F179-L182 PolarHBondContact O-N 3.27Å; L182-R214 VanDerWaalsContact O-CD 3.28Å; L182-R214 WeakPolarHBondContact O-CD 3.34Å; L182-R214 PolarHBondContact O-NE 3.48Å
183	P	98.9	Very high	98.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.			trans	-54.6	149.5	169.7	-26.3	34.2	0	0	0	113.3	E72 L76 L143 L144 R145	E72-P183 HydrophobicContact CB-CG 4.12Å; L76-P183 HydrophobicContact CD1-CB 4.23Å; L76-P183 HydrophobicContact CD1-CG 4.17Å; L76-P183 HydrophobicContact CD2-CB 4.18Å; L76-P183 HydrophobicContact CD2-CG 3.87Å; L76-P183 HydrophobicContact CG-CB 3.93Å; L76-P183 HydrophobicContact CG-CG 4.06Å; L143-P183 WeakPolarHBondContact O-CD 3.43Å; L144-P183 CarbonylContact C-O 3.54Å; L144-P183 WeakPolarHBondContact CA-O 3.29Å; L144-P183 HydrophobicContact CD2-CB 3.91Å; R145-P183 PolarHBondContact N-O 3.38Å
184	L	98.9	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-95.5	-19.5	-177	-61.5	-179.5	0	0	0	113.5	T74 R145 L212 R214 M224 L227	T74-L184 HydrophobicContact CG2-CB 4.16Å; T74-L184 HydrophobicContact CG2-CD1 3.92Å; T74-L184 HydrophobicContact CG2-CG 4.06Å; T74-L184 PolarHBondContact O-N 3.09Å; R145-L184 HydrophobicContact CB-CD2 4.07Å; L184-L212 HydrophobicContact CD1-CB 4.18Å; L184-L212 HydrophobicContact CD1-CD1 4.04Å; L184-R214 HydrophobicContact CD1-CB 3.83Å; L184-R214 HydrophobicContact CD2-CB 4.31Å; L184-R214 HydrophobicContact CG-CB 3.86Å; L184-M224 HydrophobicContact CD1-CG 3.93Å; L184-M224 HydrophobicContact CD1-SD 4.45Å; L184-M224 HydrophobicContact CD2-CE 4.09Å; L184-M224 HydrophobicContact CD2-CG 4.33Å; L184-L227 HydrophobicContact CB-CD1 4.26Å; L184-L227 HydrophobicContact CD1-CD1 4.41Å
185	A	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	163.6	-177.4	0	0	0	0	0	112	T74 M75 L76 L144 L193 C194 V195 I209	T74-A185 PolarHBondContact O-N 3.27Å; M75-A185 CarbonylContact C-O 3.55Å; M75-A185 VanDerWaalsContact CA-O 3.29Å; M75-A185 WeakPolarHBondContact CA-O 3.44Å; M75-A185 HydrophobicContact CB-CB 4.27Å; M75-A185 HydrophobicContact CG-CB 3.81Å; M75-A185 HydrophobicContact SD-CB 4.24Å; L76-A185 PolarHBondContact N-O 3.35Å; L144-A185 WeakPolarHBondContact CD2-O 3.27Å; A185-L193 HydrophobicContact CB-CD1 4.13Å; A185-C194 CarbonylContact C-O 3.44Å; A185-C194 VanDerWaalsContact CA-O 3.23Å; A185-C194 WeakPolarHBondContact CA-O 3.31Å; A185-V195 HydrophobicContact CB-CG1 3.97Å; A185-I209 HydrophobicContact CB-CG2 3.86Å
186	A	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.2	164.6	0	0	0	0	0	110.7	L76 L78 L111 L144 C194	L76-A186 HydrophobicContact CB-CB 3.96Å; L76-A186 CarbonylContact O-C 3.52Å; L76-A186 WeakPolarHBondContact O-CA 3.29Å; L78-A186 HydrophobicContact CD1-CB 3.76Å; L78-A186 HydrophobicContact CG-CB 4.32Å; L111-A186 HydrophobicContact CD1-CB 4.05Å; L111-A186 HydrophobicContact CD2-CB 3.86Å; L144-A186 HydrophobicContact CD1-CB 4.31Å; L144-A186 HydrophobicContact CD2-CB 4.27Å; A186-C194 HydrophobicContact CB-CB 4.18Å; A186-C194 PolarHBondContact N-O 3.27Å; A186-C194 PolarHBondContact O-N 2.78Å
187	L	98.8	Very high	98.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.5	172.1	-178	61.2	0	0	0	108.5	M75 L76 E77 L78 F192 L206 L271	M75-L187 HydrophobicContact CE-CB 4.31Å; M75-L187 HydrophobicContact CE-CD2 4.32Å; M75-L187 HydrophobicContact SD-CB 4.28Å; L76-L187 PolarHBondContact O-N 2.92Å; E77-L187 WeakPolarHBondContact OE2-CD2 3.37Å; L78-L187 PolarHBondContact N-O 2.99Å; L187-F192 WeakPolarHBondContact CA-O 3.29Å; L187-L206 HydrophobicContact CD1-CD1 4.4Å; L187-L206 HydrophobicContact CD2-CD1 3.8Å; L187-L271 HydrophobicContact CD1-CD2 3.55Å
188	I	98.7	Very high	98.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.9	-179.2	-55.6	170.4	0	0	0	109.3	L78 I82 I84 L111 Q190 Q191 F192 C194 Y321	L78-I188 HydrophobicContact CB-CG1 4.19Å; L78-I188 CarbonylContact O-C 3.58Å; L78-I188 WeakPolarHBondContact O-CA 3.34Å; I82-I188 HydrophobicContact CD1-CD1 4.35Å; I82-I188 HydrophobicContact CG2-CD1 3.99Å; I82-I188 HydrophobicContact CG2-CG2 3.94Å; I84-I188 HydrophobicContact CD1-CD1 3.53Å; I84-I188 HydrophobicContact CG1-CD1 4.03Å; L111-I188 HydrophobicContact CD2-CD1 3.91Å; L111-I188 HydrophobicContact CD2-CG1 4.49Å; I188-Q190 PolarHBondContact O-N 2.91Å; I188-Q191 PolarHBondContact O-N 3Å; I188-F192 HydrophobicContact CB-CB 4.27Å; I188-F192 HydrophobicContact CB-CD2 4.38Å; I188-F192 PolarHBondContact N-O 3.1Å; I188-F192 PolarHBondContact O-N 3.48Å; I188-C194 WeakPolarHBondContact CD1-SG 3.46Å; I188-Y321 HydrophobicContact CG2-CD1 4.08Å; I188-Y321 HydrophobicContact CG2-CE1 4.24Å
189	N	97.5	Very high	98.6	Very high	48 Å²	48	10.8 Å²	10.8	26%	0.257	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	23.5	177.3	-75.2	7.1	0	0	0	114.6	L78 E79 A80 Q191 Y321	L78-N189 PolarHBondContact O-N 3.17Å; E79-N189 VanDerWaalsContact CA-OD1 3.27Å; E79-N189 WeakPolarHBondContact CA-OD1 3.49Å; A80-N189 PolarHBondContact N-OD1 3.32Å; N189-Q191 HydrophobicContact CB-CB 4.42Å; N189-Q191 HydrophobicContact CB-CG 4.47Å; N189-Q191 WeakPolarHBondContact O-CG 3.33Å; N189-Q191 PolarHBondContact O-N 3.25Å; N189-Q191 VanDerWaalsContact O-N 3.16Å; N189-Y321 HydrophobicContact CB-CE1 4.43Å; N189-Y321 VanDerWaalsContact ND2-CE1 3.26Å; N189-Y321 WeakPolarHBondContact ND2-CE1 3.4Å; N189-Y321 PolarHBondContact ND2-OH 2.7Å
190	Q	97.5	Very high	98.6	Very high	107 Å²	107	10.9 Å²	10.9	50%	0.5	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	27.2	-168.2	-50.1	-53.9	78.6	0	0	113.6	E77 I188	E77-Q190 PolarHBondContact OE2-OE1 2.86Å; E77-Q190 VanDerWaalsContact OE2-OE1 3.07Å; I188-Q190 PolarHBondContact O-N 2.91Å
191	Q	97.4	Very high	98.5	Very high	22 Å²	22	11.8 Å²	11.8	10%	0.103	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-36.4	-172.4	-76.1	-179.9	-62.8	0	0	113.2	I188 N189 L272 S273 Y321	I188-Q191 PolarHBondContact O-N 3Å; N189-Q191 HydrophobicContact CB-CB 4.42Å; N189-Q191 HydrophobicContact CB-CG 4.47Å; N189-Q191 WeakPolarHBondContact O-CG 3.33Å; N189-Q191 PolarHBondContact O-N 3.25Å; N189-Q191 VanDerWaalsContact O-N 3.16Å; Q191-L272 HydrophobicContact CB-CB 4.39Å; Q191-L272 PolarHBondContact O-N 3.28Å; Q191-S273 PolarHBondContact O-N 3.24Å; Q191-Y321 PolarHBondContact OE1-OH 2.94Å
192	F	98.5	Very high	98.4	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117	-174.2	-53	-83.2	0	0	0	109.8	L187 I188 L272 S273 I275 F296 Y321 M326	L187-F192 WeakPolarHBondContact CA-O 3.29Å; I188-F192 HydrophobicContact CB-CB 4.27Å; I188-F192 HydrophobicContact CB-CD2 4.38Å; I188-F192 PolarHBondContact N-O 3.1Å; I188-F192 PolarHBondContact O-N 3.48Å; F192-L272 HydrophobicContact CE1-CB 4.41Å; F192-L272 HydrophobicContact CE1-CD2 3.74Å; F192-L272 HydrophobicContact CE1-CG 4.29Å; F192-L272 HydrophobicContact CZ-CD2 3.68Å; F192-S273 WeakPolarHBondContact CA-O 3.39Å; F192-I275 HydrophobicContact CB-CD1 3.98Å; F192-I275 HydrophobicContact CB-CG1 4.41Å; F192-I275 HydrophobicContact CD1-CD1 3.94Å; F192-I275 HydrophobicContact CD1-CG1 4.36Å; F192-I275 HydrophobicContact CG-CD1 4.09Å; F192-F296 AromaticContact CE1-CE1 3.77Å; F192-F296 HydrophobicContact CE1-CE1 3.77Å; F192-F296 AromaticContact CE1-CZ 3.85Å; F192-F296 HydrophobicContact CE1-CZ 3.85Å; F192-F296 HydrophobicContact CZ-CZ 4.31Å; F192-Y321 HydrophobicContact CD2-CE1 4.13Å; F192-Y321 HydrophobicContact CE2-CD1 4.23Å; F192-Y321 AromaticContact CE2-CE1 3.6Å; F192-Y321 HydrophobicContact CE2-CE1 3.6Å; F192-Y321 HydrophobicContact CE2-CE2 4.14Å; F192-Y321 AromaticContact CE2-CZ 3.58Å; F192-Y321 HydrophobicContact CZ-CE2 4.37Å; F192-M326 HydrophobicContact CE1-SD 4.12Å; F192-M326 HydrophobicContact CZ-SD 4.36Å
193	L	98.8	Very high	98.3	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.6	166.1	174.3	64.2	0	0	0	108.1	M75 A185 V195 L199 L206 I209 F265 L271 S273 I274 I275	M75-L193 HydrophobicContact SD-CD1 4.11Å; A185-L193 HydrophobicContact CB-CD1 4.13Å; L193-V195 HydrophobicContact CD1-CG1 4.08Å; L193-V195 HydrophobicContact CD2-CG1 4.36Å; L193-V195 HydrophobicContact CG-CG1 4.04Å; L193-L199 HydrophobicContact CD2-CD2 4.49Å; L193-L206 HydrophobicContact CD1-CD2 4.05Å; L193-L206 HydrophobicContact CD2-CD2 4.43Å; L193-I209 HydrophobicContact CD1-CD1 4.06Å; L193-I209 HydrophobicContact CD2-CD1 4.15Å; L193-F265 HydrophobicContact CD2-CE1 3.53Å; L193-F265 HydrophobicContact CD2-CZ 3.89Å; L193-L271 HydrophobicContact CB-CD1 3.9Å; L193-S273 PolarHBondContact N-O 3.19Å; L193-I274 CarbonylContact O-C 3.46Å; L193-I274 VanDerWaalsContact O-CA 3.32Å; L193-I274 WeakPolarHBondContact O-CA 3.3Å; L193-I275 PolarHBondContact O-N 2.8Å
194	C	98.9	Very high	98.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.1	176.4	-60.6	0	0	0	0	109.7	L111 L113 L144 A185 A186 I188 I275	L111-C194 HydrophobicContact CD2-CB 3.76Å; L113-C194 HydrophobicContact CD2-CB 3.81Å; L144-C194 HydrophobicContact CD1-CB 4.39Å; A185-C194 CarbonylContact C-O 3.44Å; A185-C194 VanDerWaalsContact CA-O 3.23Å; A185-C194 WeakPolarHBondContact CA-O 3.31Å; A186-C194 HydrophobicContact CB-CB 4.18Å; A186-C194 PolarHBondContact N-O 3.27Å; A186-C194 PolarHBondContact O-N 2.78Å; I188-C194 WeakPolarHBondContact CD1-SG 3.46Å; C194-I275 VanDerWaalsContact CA-O 3.26Å; C194-I275 WeakPolarHBondContact CA-O 3.41Å
195	V	98.9	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.			trans	-143	167.9	179.9	-64.8	0	0	0	0	108.7	A185 L193 L227 I274 I275 R276	A185-V195 HydrophobicContact CB-CG1 3.97Å; L193-V195 HydrophobicContact CD1-CG1 4.08Å; L193-V195 HydrophobicContact CD2-CG1 4.36Å; L193-V195 HydrophobicContact CG-CG1 4.04Å; V195-L227 HydrophobicContact CB-CD2 4.32Å; V195-L227 HydrophobicContact CG1-CD2 3.63Å; V195-I274 HydrophobicContact CG2-CG2 4.2Å; V195-I275 PolarHBondContact N-O 3.24Å; V195-I275 VanDerWaalsContact N-O 3.17Å; V195-R276 HydrophobicContact CG2-CB 4.39Å; V195-R276 VanDerWaalsContact O-CA 3.28Å; V195-R276 WeakPolarHBondContact O-CA 3.49Å
196	H	98.9	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-76.9	-64.7	175.1	-175	55.9	0	0	0	111.8	D87 L113 D115 R145 G146 N147 L228 A277 H278	D87-H196 IonicContact OD2-CE1 3.65Å; L113-H196 VanDerWaalsContact O-CB 3.27Å; L113-H196 WeakPolarHBondContact O-CB 3.26Å; L113-H196 PolarHBondContact O-ND1 2.89Å; D115-H196 IonicContact OD1-CD2 3.93Å; D115-H196 IonicContact OD1-CE1 3.87Å; D115-H196 IonicContact OD1-NE2 2.79Å; D115-H196 PolarHBondContact OD1-NE2 3.34Å; D115-H196 VanDerWaalsContact OD1-NE2 3.11Å; D115-H196 IonicContact OD2-CE1 3.56Å; D115-H196 PolarHBondContact OD2-CE1 3.22Å; D115-H196 IonicContact OD2-NE2 3.08Å; D115-H196 PolarHBondContact OD2-NE2 3.4Å; R145-H196 WeakPolarHBondContact O-CB 3.49Å; G146-H196 WeakPolarHBondContact CA-CD2 3.36Å; G146-H196 VanDerWaalsContact CA-CG 3.46Å; N147-H196 PolarHBondContact N-CD2 2.92Å; N147-H196 VanDerWaalsContact N-CD2 3.32Å; N147-H196 PolarHBondContact OD1-CD2 3.33Å; N147-H196 VanDerWaalsContact OD1-CD2 3.28Å; N147-H196 PolarHBondContact OD1-NE2 2.9Å; H196-L228 HydrophobicContact CB-CD2 4.28Å; H196-L228 PolarHBondContact CD2-O 2.96Å; H196-A277 CarbonylContact O-C 3.53Å; H196-A277 PolarHBondContact O-N 2.93Å; H196-H278 AromaticContact CD2-CG 4Å; H196-H278 AromaticContact CD2-ND1 3.85Å; H196-H278 WeakPolarHBondContact NE2-CB 3.41Å; H196-H278 AromaticContact NE2-CG 3.77Å; H196-H278 AromaticContact NE2-ND1 3.42Å; H196-H278 PolarHBondContact NE2-ND1 3.08Å; H196-H278 WeakPolarHBondContact O-CB 3.17Å
197	G	98.8	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-81.9	-99.3	176.8	0	0	0	0	0	110.6	L227 A230 R276	G197-L227 WeakPolarHBondContact CA-O 3.38Å; G197-L227 PolarHBondContact N-O 3.31Å; G197-A230 CarbonylContact C-O 3.54Å; G197-R276 VanDerWaalsContact C-NH1 3.26Å; G197-R276 VanDerWaalsContact O-CB 3.27Å; G197-R276 WeakPolarHBondContact O-CB 3.42Å; G197-R276 WeakPolarHBondContact O-CD 3.4Å; G197-R276 PolarHBondContact O-NE 2.84Å; G197-R276 VanDerWaalsContact O-NE 3.1Å; G197-R276 PolarHBondContact O-NH1 3.22Å
198	G	98.2	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.			trans	-164.4	-139.2	-172.5	0	0	0	0	0	115.8	D226 A230	G198-D226 PolarHBondContact N-O 2.79Å; G198-A230 PolarHBondContact N-O 2.85Å
199	L	98.3	Very high	98.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.159	C	C	.	.			trans	-93.9	156.5	-176.7	-67.8	179.8	0	0	0	111.6	L193 A230 F245 Y257 C262 F265 I274	L193-L199 HydrophobicContact CD2-CD2 4.49Å; L199-A230 WeakPolarHBondContact O-CB 3.38Å; L199-F245 HydrophobicContact CB-CE1 4.01Å; L199-F245 HydrophobicContact CB-CZ 4.32Å; L199-Y257 HydrophobicContact CB-CD1 4.27Å; L199-Y257 HydrophobicContact CB-CD2 4.44Å; L199-Y257 HydrophobicContact CB-CG 4.12Å; L199-Y257 HydrophobicContact CD1-CD2 4.27Å; L199-Y257 HydrophobicContact CG-CD2 4.49Å; L199-C262 HydrophobicContact CD1-CB 4.36Å; L199-F265 HydrophobicContact CD1-CB 3.91Å; L199-F265 HydrophobicContact CD1-CG 4.18Å; L199-F265 HydrophobicContact CD2-CD1 3.86Å; L199-F265 HydrophobicContact CD2-CD2 4.07Å; L199-F265 HydrophobicContact CD2-CE1 4.07Å; L199-F265 HydrophobicContact CD2-CE2 4.25Å; L199-F265 HydrophobicContact CD2-CG 3.87Å; L199-F265 HydrophobicContact CD2-CZ 4.25Å; L199-I274 HydrophobicContact CD1-CD1 3.66Å; L199-I274 HydrophobicContact CD2-CD1 3.59Å; L199-I274 HydrophobicContact CG-CD1 3.67Å
200	S	98.4	Very high	98.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	16%	0.163	C	C	.	.			trans	-117.4	146.9	173.8	179.9	0	0	0	0	110.3	E202 L203 D226 F245	S200-E202 PolarHBondContact O-N 3.33Å; S200-E202 PolarHBondContact OG-N 2.92Å; S200-L203 PolarHBondContact O-N 2.91Å; S200-D226 VanDerWaalsContact CB-OD2 3.26Å; S200-D226 WeakPolarHBondContact CB-OD2 3.25Å; S200-D226 PolarHBondContact OG-OD2 3.14Å; S200-F245 WeakPolarHBondContact O-CZ 3.35Å
201	P	97.9	Very high	98.1	Very high	37 Å²	37	35.1 Å²	35.1	24%	0.24	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.6	165.9	26.3	-34.5	0	0	0	113.3	H204 F245 Y255	P201-H204 PolarHBondContact O-CE1 2.9Å; P201-F245 HydrophobicContact CB-CD1 4.5Å; P201-F245 HydrophobicContact CB-CD2 3.84Å; P201-F245 HydrophobicContact CB-CE2 4.14Å; P201-F245 HydrophobicContact CB-CG 4.05Å; P201-F245 HydrophobicContact CG-CG 4.5Å; P201-Y255 HydrophobicContact CG-CD1 4.46Å; P201-Y255 HydrophobicContact CG-CD2 3.85Å; P201-Y255 HydrophobicContact CG-CE1 4.19Å; P201-Y255 HydrophobicContact CG-CE2 3.54Å; P201-Y255 HydrophobicContact CG-CG 4.31Å
202	E	96.9	Very high	98.2	Very high	107 Å²	107	35.9 Å²	35.9	50%	0.5	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.3	178.7	-61.9	176.6	-168	0	0	113.3	S200 A223	S200-E202 PolarHBondContact O-N 3.33Å; S200-E202 PolarHBondContact OG-N 2.92Å; E202-A223 HydrophobicContact CB-CB 4.15Å; E202-A223 PolarHBondContact OE2-N 3.5Å
203	L	96.3	Very high	98.2	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.195	C	C	.	.			trans	-104.3	99.7	-176.7	-66.9	176.6	0	0	0	110.6	S200 D208 I209 A223 L227 F265	S200-L203 PolarHBondContact O-N 2.91Å; L203-D208 HydrophobicContact CD2-CB 3.6Å; L203-I209 HydrophobicContact CD1-CD1 4.39Å; L203-I209 HydrophobicContact CD1-CG1 3.91Å; L203-I209 HydrophobicContact CD2-CG1 3.79Å; L203-I209 HydrophobicContact CG-CG1 4.39Å; L203-A223 HydrophobicContact CD1-CB 4.35Å; L203-A223 HydrophobicContact CD2-CB 3.92Å; L203-A223 HydrophobicContact CG-CB 3.95Å; L203-L227 HydrophobicContact CD1-CD1 4Å; L203-L227 HydrophobicContact CD1-CD2 3.61Å; L203-L227 HydrophobicContact CD1-CG 3.67Å; L203-F265 WeakPolarHBondContact O-CD2 3.46Å; L203-F265 WeakPolarHBondContact O-CE2 3.49Å
204	H	96.9	Very high	98.1	Very high	125 Å²	125	40 Å²	40	58%	0.579	20%	0.196	S	C	*	.			trans	-97.8	-33.2	178.3	-55.9	-44.6	0	0	0	112	P201 D208 N269	P201-H204 PolarHBondContact O-CE1 2.9Å; H204-D208 PolarHBondContact N-OD2 2.87Å; H204-D208 VanDerWaalsContact N-OD2 3.15Å; H204-N269 PolarHBondContact O-ND2 3.25Å
205	T	97.9	Very high	98.1	Very high	57 Å²	57	44.4 Å²	44.4	35%	0.35	22%	0.215	S	C	.	.	S	Bend	trans	-128.6	156.5	-177.6	73.4	0	0	0	0	111.9	N207 D208 N269	T205-N207 PolarHBondContact O-N 3.22Å; T205-N207 VanDerWaalsContact O-N 3.12Å; T205-N207 PolarHBondContact OG1-N 2.93Å; T205-D208 PolarHBondContact N-OD2 3.27Å; T205-D208 WeakPolarHBondContact O-CB 3.42Å; T205-D208 PolarHBondContact O-N 3.26Å; T205-D208 VanDerWaalsContact OG1-CG 3.26Å; T205-D208 PolarHBondContact OG1-N 3.49Å; T205-D208 PolarHBondContact OG1-OD1 3.39Å; T205-D208 PolarHBondContact OG1-OD2 2.69Å; T205-N269 WeakPolarHBondContact CA-OD1 3.38Å
206	L	98.4	Very high	98.1	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-22.5	170.4	-68.7	172.3	0	0	0	113.3	M75 L187 L193 D208 I209 R210 F265 N269 L271	M75-L206 HydrophobicContact CE-CB 3.95Å; M75-L206 HydrophobicContact CE-CD2 4.16Å; M75-L206 HydrophobicContact CE-CG 4.49Å; M75-L206 HydrophobicContact SD-CD2 3.96Å; L187-L206 HydrophobicContact CD1-CD1 4.4Å; L187-L206 HydrophobicContact CD2-CD1 3.8Å; L193-L206 HydrophobicContact CD1-CD2 4.05Å; L193-L206 HydrophobicContact CD2-CD2 4.43Å; L206-D208 VanDerWaalsContact C-N 3.31Å; L206-I209 HydrophobicContact CD2-CD1 4.49Å; L206-R210 WeakPolarHBondContact O-CG 3.3Å; L206-R210 PolarHBondContact O-N 2.75Å; L206-R210 PolarHBondContact O-NH1 3.1Å; L206-F265 HydrophobicContact CD2-CZ 4.4Å; L206-N269 HydrophobicContact CD1-CB 4.36Å; L206-N269 HydrophobicContact CG-CB 4.19Å; L206-N269 PolarHBondContact N-OD1 3.14Å; L206-L271 HydrophobicContact CD1-CD1 4.45Å; L206-L271 HydrophobicContact CD1-CD2 4.3Å; L206-L271 HydrophobicContact CD2-CD1 4.17Å
207	N	98.2	Very high	98	Very high	73 Å²	73	51.4 Å²	51.4	39%	0.39	25%	0.247	S	C	.	.	H	α-helix	trans	-73.3	-26.3	177.4	-163.6	39.1	0	0	0	112.3	T205 I209 R210 K211	T205-N207 PolarHBondContact O-N 3.22Å; T205-N207 VanDerWaalsContact O-N 3.12Å; T205-N207 PolarHBondContact OG1-N 2.93Å; N207-I209 VanDerWaalsContact C-N 3.31Å; N207-R210 PolarHBondContact O-N 2.88Å; N207-K211 VanDerWaalsContact ND2-CE 3.26Å; N207-K211 WeakPolarHBondContact ND2-CE 3.5Å; N207-K211 PolarHBondContact ND2-NZ 3.05Å; N207-K211 WeakPolarHBondContact O-CG 3.49Å; N207-K211 PolarHBondContact O-N 3.38Å
208	D	98.3	Very high	98	Very high	47 Å²	47	52.3 Å²	52.3	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-40.5	177.3	-55.9	-36.2	0	0	0	109.8	L203 H204 T205 L206 K211	L203-D208 HydrophobicContact CD2-CB 3.6Å; H204-D208 PolarHBondContact N-OD2 2.87Å; H204-D208 VanDerWaalsContact N-OD2 3.15Å; T205-D208 PolarHBondContact N-OD2 3.27Å; T205-D208 WeakPolarHBondContact O-CB 3.42Å; T205-D208 PolarHBondContact O-N 3.26Å; T205-D208 VanDerWaalsContact OG1-CG 3.26Å; T205-D208 PolarHBondContact OG1-N 3.49Å; T205-D208 PolarHBondContact OG1-OD1 3.39Å; T205-D208 PolarHBondContact OG1-OD2 2.69Å; L206-D208 VanDerWaalsContact C-N 3.31Å; D208-K211 PolarHBondContact O-N 3.49Å
209	I	98.6	Very high	97.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-46.6	172.7	-55.2	176.8	0	0	0	111.2	T74 M75 A185 L193 L203 L206 N207 K211 L212 L227	T74-I209 WeakPolarHBondContact CG2-O 3.36Å; M75-I209 HydrophobicContact CB-CG2 4.27Å; M75-I209 HydrophobicContact SD-CG2 4.43Å; A185-I209 HydrophobicContact CB-CG2 3.86Å; L193-I209 HydrophobicContact CD1-CD1 4.06Å; L193-I209 HydrophobicContact CD2-CD1 4.15Å; L203-I209 HydrophobicContact CD1-CD1 4.39Å; L203-I209 HydrophobicContact CD1-CG1 3.91Å; L203-I209 HydrophobicContact CD2-CG1 3.79Å; L203-I209 HydrophobicContact CG-CG1 4.39Å; L206-I209 HydrophobicContact CD2-CD1 4.49Å; N207-I209 VanDerWaalsContact C-N 3.31Å; I209-K211 PolarHBondContact O-N 3.27Å; I209-K211 VanDerWaalsContact O-N 3.17Å; I209-L212 WeakPolarHBondContact O-CB 3.45Å; I209-L212 PolarHBondContact O-N 2.84Å; I209-L212 VanDerWaalsContact O-N 3.15Å; I209-L227 HydrophobicContact CD1-CD2 4.25Å; I209-L227 HydrophobicContact CG1-CD1 4.48Å; I209-L227 HydrophobicContact CG2-CD1 4.13Å
210	R	98.5	Very high	97.7	Very high	92 Å²	92	56.6 Å²	56.6	35%	0.347	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-27.1	-178	-70.5	-177	-171.9	100.5	-4.1	113.3	M75 E77 L206 N207	M75-R210 HydrophobicContact CB-CG 4.09Å; M75-R210 HydrophobicContact CE-CG 3.86Å; M75-R210 VanDerWaalsContact CE-NE 3.29Å; E77-R210 IonicContact OE1-CZ 2.85Å; E77-R210 IonicContact OE1-NE 3.2Å; E77-R210 PolarHBondContact OE1-NE 3.45Å; E77-R210 IonicContact OE1-NH2 2.8Å; E77-R210 PolarHBondContact OE1-NH2 3.33Å; L206-R210 WeakPolarHBondContact O-CG 3.3Å; L206-R210 PolarHBondContact O-N 2.75Å; L206-R210 PolarHBondContact O-NH1 3.1Å; N207-R210 PolarHBondContact O-N 2.88Å
211	K	98	Very high	97.6	Very high	147 Å²	147	64.3 Å²	64.3	64%	0.639	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.5	-178.5	-72.9	173.3	178.6	173.7	0	113.9	N207 D208 I209 D213	N207-K211 VanDerWaalsContact ND2-CE 3.26Å; N207-K211 WeakPolarHBondContact ND2-CE 3.5Å; N207-K211 PolarHBondContact ND2-NZ 3.05Å; N207-K211 WeakPolarHBondContact O-CG 3.49Å; N207-K211 PolarHBondContact O-N 3.38Å; D208-K211 PolarHBondContact O-N 3.49Å; I209-K211 PolarHBondContact O-N 3.27Å; I209-K211 VanDerWaalsContact O-N 3.17Å; K211-D213 PolarHBondContact O-N 3.33Å
212	L	98.3	Very high	97.6	Very high	38 Å²	38	63.1 Å²	63.1	20%	0.199	31%	0.312	C	S	.	.			trans	-63.2	128.6	177.3	-65.8	175.4	0	0	0	110.1	T74 L184 I209 R214 A223 L227	T74-L212 HydrophobicContact CG2-CB 4.33Å; T74-L212 PolarHBondContact OG1-O 2.94Å; L184-L212 HydrophobicContact CD1-CB 4.18Å; L184-L212 HydrophobicContact CD1-CD1 4.04Å; I209-L212 WeakPolarHBondContact O-CB 3.45Å; I209-L212 PolarHBondContact O-N 2.84Å; I209-L212 VanDerWaalsContact O-N 3.15Å; L212-R214 PolarHBondContact O-N 2.97Å; L212-A223 HydrophobicContact CD1-CB 4.19Å; L212-A223 HydrophobicContact CD2-CB 3.99Å; L212-L227 HydrophobicContact CD1-CD1 3.58Å
213	D	98.1	Very high	97.7	Very high	85 Å²	85	58.3 Å²	58.3	46%	0.455	29%	0.291	S	S	.	.			trans	-75.4	107.3	164.8	172.8	30.3	0	0	0	108.8	K211 F215 K216	K211-D213 PolarHBondContact O-N 3.33Å; D213-F215 PolarHBondContact OD1-N 3.5Å; D213-K216 WeakPolarHBondContact O-CE 3.33Å; D213-K216 PolarHBondContact O-NZ 2.9Å; D213-K216 IonicContact OD2-NZ 2.64Å
214	R	98	Very high	97.8	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.015	29%	0.291	C	S	.	.			trans	-91.8	-14.1	-177	77.4	-174.6	-168.1	-100.2	2.8	113.9	L69 E72 T74 R145 D180 L181 L182 L184 L212 K216	L69-R214 PolarHBondContact O-NH2 2.95Å; E72-R214 VanDerWaalsContact O-CZ 3.3Å; E72-R214 PolarHBondContact O-NH1 3.31Å; E72-R214 PolarHBondContact O-NH2 3.34Å; T74-R214 VanDerWaalsContact CA-NH1 3.26Å; T74-R214 HydrophobicContact CG2-CB 4.27Å; T74-R214 PolarHBondContact OG1-NH1 3.33Å; T74-R214 VanDerWaalsContact OG1-NH1 3.1Å; R145-R214 PolarHBondContact NH1-O 3.24Å; D180-R214 CarbonylContact O-C 3.5Å; L181-R214 PolarHBondContact O-NE 3.19Å; L181-R214 PolarHBondContact O-NH2 2.83Å; L182-R214 VanDerWaalsContact O-CD 3.28Å; L182-R214 WeakPolarHBondContact O-CD 3.34Å; L182-R214 PolarHBondContact O-NE 3.48Å; L184-R214 HydrophobicContact CD1-CB 3.83Å; L184-R214 HydrophobicContact CD2-CB 4.31Å; L184-R214 HydrophobicContact CG-CB 3.86Å; L212-R214 PolarHBondContact O-N 2.97Å; R214-K216 PolarHBondContact O-N 3.11Å
215	F	98.4	Very high	97.9	Very high	93 Å²	93	52.4 Å²	52.4	41%	0.408	26%	0.263	S	S	.	.	S	Bend	trans	-79.2	52.7	-168.1	-60.6	-61.7	0	0	0	112.9	D180 L181 D213	D180-F215 WeakPolarHBondContact O-CA 3.4Å; L181-F215 HydrophobicContact CD2-CD1 3.61Å; L181-F215 HydrophobicContact CD2-CE1 3.97Å; D213-F215 PolarHBondContact OD1-N 3.5Å
216	K	98.2	Very high	97.9	Very high	91 Å²	91	49.7 Å²	49.7	40%	0.396	25%	0.247	S	C	.	.	S	Bend	trans	-162.6	166.1	-173.9	61.3	-172.8	-176.6	-158.6	0	110.8	R145 D180 D213 R214 M224	R145-K216 PolarHBondContact NH1-O 3.34Å; D180-K216 VanDerWaalsContact OD1-O 3.12Å; D213-K216 WeakPolarHBondContact O-CE 3.33Å; D213-K216 PolarHBondContact O-NZ 2.9Å; D213-K216 IonicContact OD2-NZ 2.64Å; R214-K216 PolarHBondContact O-N 3.11Å; K216-M224 HydrophobicContact CG-SD 4.47Å
217	E	97.8	Very high	97.9	Very high	56 Å²	56	49 Å²	49	26%	0.262	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-54.9	134.4	166.3	-174.7	68.9	-171.6	0	0	110.1	C150 R151 H152 D180	C150-E217 VanDerWaalsContact CB-OE1 3.3Å; C150-E217 WeakPolarHBondContact CB-OE1 3.28Å; R151-E217 WeakPolarHBondContact CB-OE2 3.12Å; R151-E217 WeakPolarHBondContact CG-OE2 3.32Å; R151-E217 IonicContact CZ-OE2 2.87Å; R151-E217 VanDerWaalsContact N-CD 3.34Å; R151-E217 PolarHBondContact N-OE1 2.88Å; R151-E217 PolarHBondContact N-OE2 2.98Å; R151-E217 VanDerWaalsContact N-OE2 3.07Å; R151-E217 IonicContact NH1-OE2 3.75Å; R151-E217 PolarHBondContact NH1-OE2 2.76Å; H152-E217 PolarHBondContact N-OE1 3.22Å; H152-E217 VanDerWaalsContact N-OE1 3.11Å; D180-E217 PolarHBondContact OD1-N 3.19Å
218	P	97.8	Very high	97.9	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.123	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-61.9	130.3	178	-19.4	33.9	0	0	0	110	C150 M224 L228	C150-P218 HydrophobicContact CB-CG 3.83Å; P218-M224 HydrophobicContact CB-CE 4.01Å; P218-M224 HydrophobicContact CG-CE 3.96Å; P218-L228 HydrophobicContact CB-CD1 3.88Å; P218-L228 HydrophobicContact CG-CD1 3.91Å
219	P	96.7	Very high	98	Very high	48 Å²	48	43.7 Å²	43.7	31%	0.312	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-67.9	158.8	175.7	29.7	-34.6	0	0	0	110.9	F221 M224 C225	P219-F221 WeakPolarHBondContact CG-O 3.35Å; P219-F221 PolarHBondContact O-N 2.87Å; P219-M224 HydrophobicContact CG-CB 4.32Å; P219-C225 VanDerWaalsContact O-CB 3.29Å; P219-C225 WeakPolarHBondContact O-CB 3.3Å
220	A	94.5	Very high	98	Very high	43 Å²	43	43.7 Å²	43.7	36%	0.355	21%	0.214	S	C	.	.	S	Bend	trans	-71.4	-10	176.9	0	0	0	0	0	114	C225 M468	A220-C225 PolarHBondContact O-SG 3.35Å; A220-C225 VanDerWaalsContact O-SG 3.37Å; A220-M468 HydrophobicContact CB-SD 4.2Å
221	F	96.6	Very high	98	Very high	164 Å²	164	39.4 Å²	39.4	72%	0.719	20%	0.198	S	C	*	.	S	Bend	trans	-151.2	166.9	179.1	60.8	-91.4	0	0	0	111.8	P219	P219-F221 WeakPolarHBondContact CG-O 3.35Å; P219-F221 PolarHBondContact O-N 2.87Å
222	G	97.8	Very high	98	Very high	12 Å²	12	32.6 Å²	32.6	12%	0.124	17%	0.168	C	C	.	.	S	Bend	trans	91.5	176.9	179.1	0	0	0	0	0	113.6	M224 C225 D226	G222-M224 VanDerWaalsContact C-N 3.29Å; G222-M224 PolarHBondContact O-N 3.11Å; G222-C225 WeakPolarHBondContact O-CA 3.45Å; G222-C225 VanDerWaalsContact O-CB 3.27Å; G222-C225 WeakPolarHBondContact O-CB 3.35Å; G222-C225 PolarHBondContact O-N 3.07Å; G222-D226 PolarHBondContact O-N 3.34Å
223	A	98.1	Very high	97.9	Very high	6 Å²	6	31.4 Å²	31.4	5%	0.05	16%	0.163	C	C	.	.	H	α-helix	trans	-51.4	-38	-170.1	0	0	0	0	0	116	E202 L203 L212 D226 L227	E202-A223 HydrophobicContact CB-CB 4.15Å; E202-A223 PolarHBondContact OE2-N 3.5Å; L203-A223 HydrophobicContact CD1-CB 4.35Å; L203-A223 HydrophobicContact CD2-CB 3.92Å; L203-A223 HydrophobicContact CG-CB 3.95Å; L212-A223 HydrophobicContact CD1-CB 4.19Å; L212-A223 HydrophobicContact CD2-CB 3.99Å; A223-D226 PolarHBondContact O-N 2.92Å; A223-L227 WeakPolarHBondContact O-CG 3.29Å; A223-L227 PolarHBondContact O-N 2.97Å
224	M	98.5	Very high	97.6	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.034	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-39.8	177.3	-178.1	178.2	177.5	0	0	111.9	L184 K216 P218 P219 G222 D226 L228	L184-M224 HydrophobicContact CD1-CG 3.93Å; L184-M224 HydrophobicContact CD1-SD 4.45Å; L184-M224 HydrophobicContact CD2-CE 4.09Å; L184-M224 HydrophobicContact CD2-CG 4.33Å; K216-M224 HydrophobicContact CG-SD 4.47Å; P218-M224 HydrophobicContact CB-CE 4.01Å; P218-M224 HydrophobicContact CG-CE 3.96Å; P219-M224 HydrophobicContact CG-CB 4.32Å; G222-M224 VanDerWaalsContact C-N 3.29Å; G222-M224 PolarHBondContact O-N 3.11Å; M224-D226 VanDerWaalsContact C-N 3.33Å; M224-L228 WeakPolarHBondContact O-CG 3.44Å
225	C	98.5	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-47.5	172.9	-176.8	0	0	0	0	109.9	P219 A220 G222 L227 L228 W229	P219-C225 VanDerWaalsContact O-CB 3.29Å; P219-C225 WeakPolarHBondContact O-CB 3.3Å; A220-C225 PolarHBondContact O-SG 3.35Å; A220-C225 VanDerWaalsContact O-SG 3.37Å; G222-C225 WeakPolarHBondContact O-CA 3.45Å; G222-C225 VanDerWaalsContact O-CB 3.27Å; G222-C225 WeakPolarHBondContact O-CB 3.35Å; G222-C225 PolarHBondContact O-N 3.07Å; C225-L227 PolarHBondContact O-N 3.49Å; C225-L228 CarbonylContact O-C 3.54Å; C225-L228 WeakPolarHBondContact O-CA 3.34Å; C225-L228 PolarHBondContact O-N 3.31Å; C225-W229 WeakPolarHBondContact O-CB 3.38Å; C225-W229 PolarHBondContact O-N 3.33Å
226	D	98.7	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-37.1	-174.7	-60.9	-27.3	0	0	0	113.9	G198 S200 G222 A223 M224 L228 W229 A230 S254 Y255	G198-D226 PolarHBondContact N-O 2.79Å; S200-D226 VanDerWaalsContact CB-OD2 3.26Å; S200-D226 WeakPolarHBondContact CB-OD2 3.25Å; S200-D226 PolarHBondContact OG-OD2 3.14Å; G222-D226 PolarHBondContact O-N 3.34Å; A223-D226 PolarHBondContact O-N 2.92Å; M224-D226 VanDerWaalsContact C-N 3.33Å; D226-L228 PolarHBondContact O-N 2.84Å; D226-L228 VanDerWaalsContact O-N 3.15Å; D226-W229 PolarHBondContact O-N 3.42Å; D226-A230 HydrophobicContact CB-CB 4.36Å; D226-A230 WeakPolarHBondContact O-CB 3.38Å; D226-A230 PolarHBondContact O-N 2.97Å; D226-S254 VanDerWaalsContact CA-OG 3.32Å; D226-S254 WeakPolarHBondContact CA-OG 3.34Å; D226-S254 WeakPolarHBondContact OD1-CA 3.49Å; D226-S254 VanDerWaalsContact OD1-CB 3.32Å; D226-S254 WeakPolarHBondContact OD1-CB 3.4Å; D226-S254 PolarHBondContact OD1-OG 3.35Å; D226-Y255 WeakPolarHBondContact OD1-CD2 3.32Å
227	L	98.8	Very high	97.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-23.8	172.2	-75.7	170.2	0	0	0	112.8	L184 V195 G197 L203 I209 L212 A223 C225	L184-L227 HydrophobicContact CB-CD1 4.26Å; L184-L227 HydrophobicContact CD1-CD1 4.41Å; V195-L227 HydrophobicContact CB-CD2 4.32Å; V195-L227 HydrophobicContact CG1-CD2 3.63Å; G197-L227 WeakPolarHBondContact CA-O 3.38Å; G197-L227 PolarHBondContact N-O 3.31Å; L203-L227 HydrophobicContact CD1-CD1 4Å; L203-L227 HydrophobicContact CD1-CD2 3.61Å; L203-L227 HydrophobicContact CD1-CG 3.67Å; I209-L227 HydrophobicContact CD1-CD2 4.25Å; I209-L227 HydrophobicContact CG1-CD1 4.48Å; I209-L227 HydrophobicContact CG2-CD1 4.13Å; L212-L227 HydrophobicContact CD1-CD1 3.58Å; A223-L227 WeakPolarHBondContact O-CG 3.29Å; A223-L227 PolarHBondContact O-N 2.97Å; C225-L227 PolarHBondContact O-N 3.49Å
228	L	98.7	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-102.6	-28.7	-178.1	-55.5	178.7	0	0	0	113	R145 N147 H196 P218 M224 C225 D226	R145-L228 HydrophobicContact CB-CD2 4.27Å; R145-L228 WeakPolarHBondContact O-CD2 3.36Å; N147-L228 HydrophobicContact CB-CB 4.12Å; H196-L228 HydrophobicContact CB-CD2 4.28Å; H196-L228 PolarHBondContact CD2-O 2.96Å; P218-L228 HydrophobicContact CB-CD1 3.88Å; P218-L228 HydrophobicContact CG-CD1 3.91Å; M224-L228 WeakPolarHBondContact O-CG 3.44Å; C225-L228 CarbonylContact O-C 3.54Å; C225-L228 WeakPolarHBondContact O-CA 3.34Å; C225-L228 PolarHBondContact O-N 3.31Å; D226-L228 PolarHBondContact O-N 2.84Å; D226-L228 VanDerWaalsContact O-N 3.15Å
229	W	98.6	Very high	96.7	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.038	19%	0.193	C	C	.	.	H	α-helix	trans	-121.8	-15.8	-168.7	-76.7	93.5	0	0	0	115.9	N147 L153 C225 D226 R251 M468	N147-W229 HydrophobicContact CB-CD2 4.08Å; N147-W229 HydrophobicContact CB-CG 4.33Å; N147-W229 HydrophobicContact CB-CZ2 3.89Å; L153-W229 HydrophobicContact CD1-CH2 4.15Å; L153-W229 HydrophobicContact CD1-CZ2 3.61Å; L153-W229 HydrophobicContact CD2-CH2 3.8Å; L153-W229 HydrophobicContact CD2-CZ2 3.6Å; L153-W229 HydrophobicContact CG-CH2 4.48Å; L153-W229 HydrophobicContact CG-CZ2 4.23Å; C225-W229 WeakPolarHBondContact O-CB 3.38Å; C225-W229 PolarHBondContact O-N 3.33Å; D226-W229 PolarHBondContact O-N 3.42Å; W229-R251 HydrophobicContact CE3-CB 3.98Å; W229-R251 HydrophobicContact CE3-CG 4.17Å; W229-R251 HydrophobicContact CZ3-CB 4.38Å; W229-M468 HydrophobicContact CD2-CE 4.11Å; W229-M468 HydrophobicContact CG-CE 4.36Å; W229-M468 HydrophobicContact CH2-CB 3.97Å; W229-M468 HydrophobicContact CZ2-CB 4.3Å; W229-M468 HydrophobicContact CZ2-CE 4.01Å; W229-M468 HydrophobicContact CZ2-CG 4.43Å; W229-M468 HydrophobicContact CZ3-CB 4.21Å
230	A	98.7	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.			trans	-67.1	146.7	-176.9	0	0	0	0	0	110.5	G197 G198 L199 D226 S254 Y255 Y257 R276	G197-A230 CarbonylContact C-O 3.54Å; G198-A230 PolarHBondContact N-O 2.85Å; L199-A230 WeakPolarHBondContact O-CB 3.38Å; D226-A230 HydrophobicContact CB-CB 4.36Å; D226-A230 WeakPolarHBondContact O-CB 3.38Å; D226-A230 PolarHBondContact O-N 2.97Å; A230-S254 WeakPolarHBondContact CA-OG 3.23Å; A230-S254 WeakPolarHBondContact CB-OG 3.4Å; A230-S254 PolarHBondContact N-OG 2.7Å; A230-Y255 VanDerWaalsContact CA-O 3.27Å; A230-Y255 WeakPolarHBondContact CA-O 3.14Å; A230-Y255 WeakPolarHBondContact CB-O 3.39Å; A230-Y257 HydrophobicContact CB-CD1 4.05Å; A230-Y257 HydrophobicContact CB-CE1 4.18Å; A230-R276 PolarHBondContact O-NH1 3.09Å
231	D	98.7	Very high	95.9	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.1	178.1	-70.6	-45	0	0	0	111.8	N248 R251 Y255 F256 Y257 R276 H278 E279	D231-N248 PolarHBondContact OD2-ND2 3.37Å; D231-R251 IonicContact OD1-NE 3.34Å; D231-R251 IonicContact OD1-NH2 3.86Å; D231-R251 VanDerWaalsContact OD2-CG 3.31Å; D231-R251 WeakPolarHBondContact OD2-CG 3.28Å; D231-R251 IonicContact OD2-CZ 3.87Å; D231-R251 IonicContact OD2-NE 2.68Å; D231-R251 PolarHBondContact OD2-NE 3.37Å; D231-R251 IonicContact OD2-NH2 2.83Å; D231-Y255 PolarHBondContact N-O 3.28Å; D231-F256 HydrophobicContact CB-CD1 3.82Å; D231-F256 HydrophobicContact CB-CE1 3.85Å; D231-F256 CarbonylContact O-C 3.53Å; D231-F256 WeakPolarHBondContact O-CA 3.46Å; D231-Y257 WeakPolarHBondContact O-CD1 3.41Å; D231-Y257 VanDerWaalsContact O-CE1 3.3Å; D231-Y257 WeakPolarHBondContact O-CE1 3.1Å; D231-Y257 PolarHBondContact O-N 2.83Å; D231-R276 IonicContact OD1-CZ 2.88Å; D231-R276 IonicContact OD1-NH1 2.85Å; D231-R276 IonicContact OD1-NH2 2.88Å; D231-R276 PolarHBondContact OD1-NH2 3.47Å; D231-H278 IonicContact OD1-CD2 3.35Å; D231-H278 PolarHBondContact OD1-CD2 3.32Å; D231-H278 VanDerWaalsContact OD1-CD2 3.31Å; D231-H278 IonicContact OD1-NE2 3.65Å; D231-E279 WeakPolarHBondContact OD1-CG 3.27Å
232	P	98.3	Very high	95.4	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.019	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	144.9	162.1	28.7	-33.2	0	0	0	109.3	F236 Y257 R276 E279 Y288 L299	P232-F236 HydrophobicContact CB-CB 4.28Å; P232-F236 HydrophobicContact CB-CD2 3.54Å; P232-F236 HydrophobicContact CB-CE2 4.04Å; P232-F236 HydrophobicContact CB-CG 4.09Å; P232-Y257 WeakPolarHBondContact CA-O 3.48Å; P232-Y257 HydrophobicContact CB-CE2 4.15Å; P232-R276 VanDerWaalsContact CD-NH1 3.31Å; P232-E279 WeakPolarHBondContact CD-OE2 3.44Å; P232-E279 WeakPolarHBondContact CG-OE2 3.3Å; P232-Y288 HydrophobicContact CB-CE1 3.99Å; P232-Y288 HydrophobicContact CG-CE1 3.77Å; P232-Y288 WeakPolarHBondContact CG-OH 3.45Å; P232-L299 HydrophobicContact CB-CD2 3.63Å; P232-L299 HydrophobicContact CG-CD2 3.78Å
233	C	96.4	Very high	95.2	Very high	13 Å²	13	51 Å²	51	9%	0.088	25%	0.249	C	C	.	.			trans	-60.5	153	174	64	0	0	0	0	111.7	D235 F236 E239 F256 Y257	C233-D235 PolarHBondContact O-N 2.65Å; C233-D235 PolarHBondContact SG-OD1 3.32Å; C233-F236 VanDerWaalsContact O-CB 3.25Å; C233-F236 WeakPolarHBondContact O-CB 3.33Å; C233-F236 PolarHBondContact O-N 2.89Å; C233-F236 VanDerWaalsContact SG-CA 3.53Å; C233-F236 PolarHBondContact SG-N 2.79Å; C233-E239 WeakPolarHBondContact SG-CG 3.01Å; C233-E239 PolarHBondContact SG-OE1 3.36Å; C233-E239 VanDerWaalsContact SG-OE1 3.38Å; C233-F256 HydrophobicContact CB-CB 4.14Å; C233-Y257 PolarHBondContact N-O 3.21Å; C233-Y257 VanDerWaalsContact N-O 3.16Å
234	E	92.6	Very high	95.2	Very high	184 Å²	184	53.8 Å²	53.8	86%	0.86	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.8	-176.1	-173.4	175.4	-176.4	0	0	112.3	F236	E234-F236 VanDerWaalsContact C-N 3.31Å; E234-F236 PolarHBondContact O-N 3.01Å
235	D	93.7	Very high	95.1	Very high	71 Å²	71	55.9 Å²	55.9	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	25.8	176.5	65	-17.8	0	0	0	113.5	C233 G237 Q238 E239	C233-D235 PolarHBondContact O-N 2.65Å; C233-D235 PolarHBondContact SG-OD1 3.32Å; D235-G237 PolarHBondContact O-N 3.16Å; D235-G237 VanDerWaalsContact O-N 3.14Å; D235-Q238 CarbonylContact O-C 3.57Å; D235-Q238 WeakPolarHBondContact O-CA 3.17Å; D235-Q238 PolarHBondContact O-N 2.98Å; D235-E239 PolarHBondContact O-N 3.11Å; D235-E239 WeakPolarHBondContact OD2-CA 3.43Å
236	F	96	Very high	95.1	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.044	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	118.4	-177.1	-170.4	-87.2	0	0	0	113.5	P232 C233 E234 E239 Y257 F259 C262 Y288 L299	P232-F236 HydrophobicContact CB-CB 4.28Å; P232-F236 HydrophobicContact CB-CD2 3.54Å; P232-F236 HydrophobicContact CB-CE2 4.04Å; P232-F236 HydrophobicContact CB-CG 4.09Å; C233-F236 VanDerWaalsContact O-CB 3.25Å; C233-F236 WeakPolarHBondContact O-CB 3.33Å; C233-F236 PolarHBondContact O-N 2.89Å; C233-F236 VanDerWaalsContact SG-CA 3.53Å; C233-F236 PolarHBondContact SG-N 2.79Å; E234-F236 VanDerWaalsContact C-N 3.31Å; E234-F236 PolarHBondContact O-N 3.01Å; F236-E239 WeakPolarHBondContact CA-OE1 3.47Å; F236-Y257 HydrophobicContact CE2-CD2 4.15Å; F236-Y257 HydrophobicContact CE2-CE2 4.09Å; F236-F259 HydrophobicContact CD1-CB 4.05Å; F236-F259 HydrophobicContact CD1-CD2 4.21Å; F236-F259 HydrophobicContact CD2-CB 4.32Å; F236-F259 HydrophobicContact CE1-CB 3.94Å; F236-F259 AromaticContact CE1-CD2 3.56Å; F236-F259 HydrophobicContact CE1-CD2 3.56Å; F236-F259 HydrophobicContact CE1-CG 4.23Å; F236-F259 HydrophobicContact CE2-CB 4.2Å; F236-F259 HydrophobicContact CG-CB 4.27Å; F236-F259 HydrophobicContact CZ-CB 4.02Å; F236-F259 AromaticContact CZ-CD2 3.98Å; F236-F259 HydrophobicContact CZ-CD2 3.98Å; F236-C262 HydrophobicContact CE2-CB 4.08Å; F236-C262 HydrophobicContact CZ-CB 3.82Å; F236-Y288 HydrophobicContact CB-CD1 3.99Å; F236-Y288 HydrophobicContact CB-CE1 4.27Å; F236-Y288 AromaticContact CD1-CD1 3.49Å; F236-Y288 HydrophobicContact CD1-CD1 3.49Å; F236-Y288 VanDerWaalsContact CD1-CD1 3.49Å; F236-Y288 HydrophobicContact CD1-CE1 4.44Å; F236-Y288 HydrophobicContact CD1-CG 4.03Å; F236-Y288 HydrophobicContact CE1-CD1 4.05Å; F236-Y288 HydrophobicContact CE1-CG 4.16Å; F236-Y288 AromaticContact CG-CD1 3.85Å; F236-Y288 HydrophobicContact CG-CD1 3.85Å; F236-Y288 HydrophobicContact CG-CE1 4.4Å; F236-L299 HydrophobicContact CE1-CB 4.24Å; F236-L299 HydrophobicContact CE2-CD2 4.28Å; F236-L299 HydrophobicContact CZ-CB 4.02Å; F236-L299 HydrophobicContact CZ-CD2 4.18Å
237	G	94	Very high	95	Very high	5 Å²	5	63.1 Å²	63.1	5%	0.052	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	1.4	-175.9	0	0	0	0	0	115	D235 E239 R289	D235-G237 PolarHBondContact O-N 3.16Å; D235-G237 VanDerWaalsContact O-N 3.14Å; G237-E239 VanDerWaalsContact C-OE2 3.24Å; G237-E239 WeakPolarHBondContact CA-OE2 3.39Å; G237-E239 PolarHBondContact N-OE1 3.31Å; G237-E239 PolarHBondContact N-OE2 3.48Å; G237-R289 WeakPolarHBondContact O-CD 3.34Å; G237-R289 PolarHBondContact O-NH1 2.86Å
238	Q	93.7	Very high	94.9	Very high	164 Å²	164	63.1 Å²	63.1	77%	0.766	31%	0.308	S	S	*	.	S	Bend	trans	-131	18.1	176.2	-63.7	-179.9	88.9	0	0	111.6	D235	D235-Q238 CarbonylContact O-C 3.57Å; D235-Q238 WeakPolarHBondContact O-CA 3.17Å; D235-Q238 PolarHBondContact O-N 2.98Å
239	E	93.2	Very high	94.8	Very high	39 Å²	39	67.2 Å²	67.2	18%	0.182	33%	0.334	C	S	.	.			trans	-63.1	142.2	-176.9	-50	88.9	156.5	0	0	111.4	C233 D235 F236 G237 F259	C233-E239 WeakPolarHBondContact SG-CG 3.01Å; C233-E239 PolarHBondContact SG-OE1 3.36Å; C233-E239 VanDerWaalsContact SG-OE1 3.38Å; D235-E239 PolarHBondContact O-N 3.11Å; D235-E239 WeakPolarHBondContact OD2-CA 3.43Å; F236-E239 WeakPolarHBondContact CA-OE1 3.47Å; G237-E239 VanDerWaalsContact C-OE2 3.24Å; G237-E239 WeakPolarHBondContact CA-OE2 3.39Å; G237-E239 PolarHBondContact N-OE1 3.31Å; G237-E239 PolarHBondContact N-OE2 3.48Å; E239-F259 VanDerWaalsContact OE1-CB 3.24Å; E239-F259 WeakPolarHBondContact OE1-CB 3.47Å; E239-F259 PolarHBondContact OE1-N 3.44Å
240	R	89.3	Confident	94.6	Very high	247 Å²	247	68.7 Å²	68.7	93%	0.932	34%	0.344	S	S	*	.	S	Bend	trans	-88.2	-31.9	179.1	-62.1	-176	-176.4	-176.5	2.1	113.2
241	N	85.8	Confident	94.4	Very high	91 Å²	91	69.1 Å²	69.1	49%	0.487	35%	0.345	S	S	.	.	S	Bend	trans	-95.2	164.8	177.9	65.1	14.6	0	0	0	110.4
242	S	85.5	Confident	94.3	Very high	107 Å²	107	71.2 Å²	71.2	75%	0.748	37%	0.367	S	S	*	.			trans	-98.8	12.9	179.6	-60.4	0	0	0	0	112.9
243	E	93.7	Very high	94.2	Very high	110 Å²	110	71.5 Å²	71.5	51%	0.514	37%	0.37	S	S	.	.			trans	-66.5	136.2	-179.6	-70.4	-179.3	179.2	0	0	110.3	S258	E243-S258 WeakPolarHBondContact O-CB 3.36Å; E243-S258 PolarHBondContact O-OG 3.03Å
244	H	97.2	Very high	94.3	Very high	64 Å²	64	71.4 Å²	71.4	30%	0.296	37%	0.369	S	S	.	.	S	Bend	trans	-78.1	-41.6	177.4	-79.1	-166.5	0	0	0	111.3	Y257 S258 N260 A261	H244-Y257 WeakPolarHBondContact O-CA 3.33Å; H244-S258 PolarHBondContact O-N 3.43Å; H244-S258 PolarHBondContact O-OG 2.6Å; H244-N260 PolarHBondContact NE2-ND2 2.77Å; H244-A261 HydrophobicContact CB-CB 3.7Å; H244-A261 VanDerWaalsContact O-CB 3.28Å; H244-A261 WeakPolarHBondContact O-CB 3.32Å
245	F	97.9	Very high	94.5	Very high	51 Å²	51	66.6 Å²	66.6	22%	0.224	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.9	-175.9	-59.6	-88.8	0	0	0	110.1	L199 S200 P201 Y255 F256 A261	L199-F245 HydrophobicContact CB-CE1 4.01Å; L199-F245 HydrophobicContact CB-CZ 4.32Å; S200-F245 WeakPolarHBondContact O-CZ 3.35Å; P201-F245 HydrophobicContact CB-CD1 4.5Å; P201-F245 HydrophobicContact CB-CD2 3.84Å; P201-F245 HydrophobicContact CB-CE2 4.14Å; P201-F245 HydrophobicContact CB-CG 4.05Å; P201-F245 HydrophobicContact CG-CG 4.5Å; F245-Y255 HydrophobicContact CB-CD1 4.02Å; F245-Y255 HydrophobicContact CB-CG 4.37Å; F245-F256 VanDerWaalsContact CA-O 3.25Å; F245-F256 WeakPolarHBondContact CA-O 3.25Å; F245-A261 HydrophobicContact CE2-CB 4.19Å; F245-A261 HydrophobicContact CZ-CB 4.14Å
246	S	96.8	Very high	94.8	Very high	49 Å²	49	64.6 Å²	64.6	34%	0.343	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.4	170.6	63.9	0	0	0	0	109.3	N248 Y255 F256	S246-N248 PolarHBondContact O-N 3Å; S246-Y255 CarbonylContact O-C 3.58Å; S246-Y255 WeakPolarHBondContact O-CA 3.41Å; S246-Y255 WeakPolarHBondContact O-CB 3.45Å; S246-F256 PolarHBondContact N-O 3.07Å; S246-F256 PolarHBondContact O-N 3.36Å
247	H	97.1	Very high	94.9	Very high	104 Å²	104	64.1 Å²	64.1	48%	0.481	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.9	-177.8	175.5	55.4	0	0	0	111.7	T249 S254 F256	H247-T249 PolarHBondContact O-N 3.44Å; H247-T249 VanDerWaalsContact O-N 3.1Å; H247-S254 PolarHBondContact ND1-O 2.85Å; H247-F256 WeakPolarHBondContact O-CD2 3.45Å
248	N	97.6	Very high	95.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.329	C	S	.	.			trans	-80.5	92.2	177.2	-171.9	-20.4	0	0	0	111.5	D231 S246 V250 R251 G252 C253 S254 F256	D231-N248 PolarHBondContact OD2-ND2 3.37Å; S246-N248 PolarHBondContact O-N 3Å; N248-V250 PolarHBondContact O-N 2.64Å; N248-V250 WeakPolarHBondContact OD1-CB 3.4Å; N248-V250 PolarHBondContact OD1-N 2.95Å; N248-V250 VanDerWaalsContact OD1-N 3.07Å; N248-R251 HydrophobicContact CB-CB 4.41Å; N248-R251 VanDerWaalsContact CG-CG 3.49Å; N248-R251 WeakPolarHBondContact ND2-CG 3.47Å; N248-R251 PolarHBondContact O-N 3.06Å; N248-R251 PolarHBondContact OD1-N 3.3Å; N248-G252 PolarHBondContact O-N 3.31Å; N248-C253 WeakPolarHBondContact CB-O 3.46Å; N248-S254 PolarHBondContact N-O 3.43Å; N248-S254 VanDerWaalsContact N-O 3.1Å; N248-F256 HydrophobicContact CB-CD1 4.42Å; N248-F256 HydrophobicContact CB-CD2 4.17Å; N248-F256 HydrophobicContact CB-CE1 4.42Å; N248-F256 HydrophobicContact CB-CE2 4.19Å; N248-F256 HydrophobicContact CB-CG 4.28Å; N248-F256 HydrophobicContact CB-CZ 4.31Å; N248-F256 WeakPolarHBondContact OD1-CE1 3.47Å; N248-F256 WeakPolarHBondContact OD1-CZ 3.15Å
249	T	95.4	Very high	95.2	Very high	87 Å²	87	57.6 Å²	57.6	53%	0.534	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.6	178.9	56.1	0	0	0	0	113.9	H247 R467	H247-T249 PolarHBondContact O-N 3.44Å; H247-T249 VanDerWaalsContact O-N 3.1Å; T249-R467 PolarHBondContact O-NH2 3.34Å
250	V	94.2	Very high	95.4	Very high	41 Å²	41	59.7 Å²	59.7	25%	0.248	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-48.2	174.3	173.2	0	0	0	0	109.3	N248 F256 R467	N248-V250 PolarHBondContact O-N 2.64Å; N248-V250 WeakPolarHBondContact OD1-CB 3.4Å; N248-V250 PolarHBondContact OD1-N 2.95Å; N248-V250 VanDerWaalsContact OD1-N 3.07Å; V250-F256 HydrophobicContact CB-CZ 4.01Å; V250-F256 HydrophobicContact CG2-CZ 3.79Å; V250-R467 WeakPolarHBondContact O-CG 3.46Å; V250-R467 PolarHBondContact O-NE 3.12Å
251	R	96.1	Very high	95.8	Very high	8 Å²	8	48 Å²	48	3%	0.03	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-24	179.5	-56.6	-58.9	-178.3	170.4	5.5	113.9	W229 D231 N248 C253 H278 E466 R467 M468	W229-R251 HydrophobicContact CE3-CB 3.98Å; W229-R251 HydrophobicContact CE3-CG 4.17Å; W229-R251 HydrophobicContact CZ3-CB 4.38Å; D231-R251 IonicContact OD1-NE 3.34Å; D231-R251 IonicContact OD1-NH2 3.86Å; D231-R251 VanDerWaalsContact OD2-CG 3.31Å; D231-R251 WeakPolarHBondContact OD2-CG 3.28Å; D231-R251 IonicContact OD2-CZ 3.87Å; D231-R251 IonicContact OD2-NE 2.68Å; D231-R251 PolarHBondContact OD2-NE 3.37Å; D231-R251 IonicContact OD2-NH2 2.83Å; N248-R251 HydrophobicContact CB-CB 4.41Å; N248-R251 VanDerWaalsContact CG-CG 3.49Å; N248-R251 WeakPolarHBondContact ND2-CG 3.47Å; N248-R251 PolarHBondContact O-N 3.06Å; N248-R251 PolarHBondContact OD1-N 3.3Å; R251-C253 PolarHBondContact O-N 3.48Å; R251-H278 VanDerWaalsContact CZ-NE2 3.28Å; R251-H278 PolarHBondContact NE-NE2 3.07Å; R251-H278 PolarHBondContact NH2-CD2 2.95Å; R251-H278 PolarHBondContact NH2-NE2 3.24Å; R251-H278 PolarHBondContact NH2-O 2.84Å; R251-E466 WeakPolarHBondContact CD-O 3.48Å; R251-E466 IonicContact CZ-OE2 3.56Å; R251-E466 PolarHBondContact NH1-O 3.38Å; R251-E466 IonicContact NH1-OE2 3.6Å; R251-E466 PolarHBondContact NH1-OE2 3.18Å; R251-E466 IonicContact NH2-OE2 2.82Å; R251-R467 CarbonylContact O-C 3.6Å; R251-R467 WeakPolarHBondContact O-CA 3.43Å; R251-M468 PolarHBondContact O-N 3.31Å
252	G	95.4	Very high	96.3	Very high	47 Å²	47	43.7 Å²	43.7	49%	0.485	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	5.1	-175.8	0	0	0	0	0	114.3	N248	N248-G252 PolarHBondContact O-N 3.31Å
253	C	96.3	Very high	96.9	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.068	21%	0.212	C	C	.	.	S	Bend	trans	-149.2	171.5	176.4	67	0	0	0	0	108.2	N248 R251 M468	N248-C253 WeakPolarHBondContact CB-O 3.46Å; R251-C253 PolarHBondContact O-N 3.48Å; C253-M468 HydrophobicContact CB-CB 4.28Å; C253-M468 HydrophobicContact CB-CE 3.68Å; C253-M468 HydrophobicContact CB-SD 3.84Å; C253-M468 WeakPolarHBondContact SG-CE 3.48Å
254	S	98	Very high	97	Very high	10 Å²	10	39 Å²	39	7%	0.07	21%	0.211	C	C	.	.	S	Bend	trans	56.5	-156.9	177.1	-164.4	0	0	0	0	113.9	D226 A230 H247 N248	D226-S254 VanDerWaalsContact CA-OG 3.32Å; D226-S254 WeakPolarHBondContact CA-OG 3.34Å; D226-S254 WeakPolarHBondContact OD1-CA 3.49Å; D226-S254 VanDerWaalsContact OD1-CB 3.32Å; D226-S254 WeakPolarHBondContact OD1-CB 3.4Å; D226-S254 PolarHBondContact OD1-OG 3.35Å; A230-S254 WeakPolarHBondContact CA-OG 3.23Å; A230-S254 WeakPolarHBondContact CB-OG 3.4Å; A230-S254 PolarHBondContact N-OG 2.7Å; H247-S254 PolarHBondContact ND1-O 2.85Å; N248-S254 PolarHBondContact N-O 3.43Å; N248-S254 VanDerWaalsContact N-O 3.1Å
255	Y	98.3	Very high	97	Very high	83 Å²	83	36.3 Å²	36.3	33%	0.325	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.5	-165.7	-61.8	-86.7	0	0	0	112.9	P201 D226 A230 D231 F245 S246	P201-Y255 HydrophobicContact CG-CD1 4.46Å; P201-Y255 HydrophobicContact CG-CD2 3.85Å; P201-Y255 HydrophobicContact CG-CE1 4.19Å; P201-Y255 HydrophobicContact CG-CE2 3.54Å; P201-Y255 HydrophobicContact CG-CG 4.31Å; D226-Y255 WeakPolarHBondContact OD1-CD2 3.32Å; A230-Y255 VanDerWaalsContact CA-O 3.27Å; A230-Y255 WeakPolarHBondContact CA-O 3.14Å; A230-Y255 WeakPolarHBondContact CB-O 3.39Å; D231-Y255 PolarHBondContact N-O 3.28Å; F245-Y255 HydrophobicContact CB-CD1 4.02Å; F245-Y255 HydrophobicContact CB-CG 4.37Å; S246-Y255 CarbonylContact O-C 3.58Å; S246-Y255 WeakPolarHBondContact O-CA 3.41Å; S246-Y255 WeakPolarHBondContact O-CB 3.45Å
256	F	98.3	Very high	97	Very high	29 Å²	29	34.2 Å²	34.2	13%	0.127	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.3	152.3	-69.6	-59	0	0	0	108.9	D231 C233 F245 S246 H247 N248 V250	D231-F256 HydrophobicContact CB-CD1 3.82Å; D231-F256 HydrophobicContact CB-CE1 3.85Å; D231-F256 CarbonylContact O-C 3.53Å; D231-F256 WeakPolarHBondContact O-CA 3.46Å; C233-F256 HydrophobicContact CB-CB 4.14Å; F245-F256 VanDerWaalsContact CA-O 3.25Å; F245-F256 WeakPolarHBondContact CA-O 3.25Å; S246-F256 PolarHBondContact N-O 3.07Å; S246-F256 PolarHBondContact O-N 3.36Å; H247-F256 WeakPolarHBondContact O-CD2 3.45Å; N248-F256 HydrophobicContact CB-CD1 4.42Å; N248-F256 HydrophobicContact CB-CD2 4.17Å; N248-F256 HydrophobicContact CB-CE1 4.42Å; N248-F256 HydrophobicContact CB-CE2 4.19Å; N248-F256 HydrophobicContact CB-CG 4.28Å; N248-F256 HydrophobicContact CB-CZ 4.31Å; N248-F256 WeakPolarHBondContact OD1-CE1 3.47Å; N248-F256 WeakPolarHBondContact OD1-CZ 3.15Å; V250-F256 HydrophobicContact CB-CZ 4.01Å; V250-F256 HydrophobicContact CG2-CZ 3.79Å
257	Y	98.5	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.5	172.2	60.2	-89.3	0	0	0	111.4	L199 A230 D231 P232 C233 F236 H244 C262 R276 L299	L199-Y257 HydrophobicContact CB-CD1 4.27Å; L199-Y257 HydrophobicContact CB-CD2 4.44Å; L199-Y257 HydrophobicContact CB-CG 4.12Å; L199-Y257 HydrophobicContact CD1-CD2 4.27Å; L199-Y257 HydrophobicContact CG-CD2 4.49Å; A230-Y257 HydrophobicContact CB-CD1 4.05Å; A230-Y257 HydrophobicContact CB-CE1 4.18Å; D231-Y257 WeakPolarHBondContact O-CD1 3.41Å; D231-Y257 VanDerWaalsContact O-CE1 3.3Å; D231-Y257 WeakPolarHBondContact O-CE1 3.1Å; D231-Y257 PolarHBondContact O-N 2.83Å; P232-Y257 WeakPolarHBondContact CA-O 3.48Å; P232-Y257 HydrophobicContact CB-CE2 4.15Å; C233-Y257 PolarHBondContact N-O 3.21Å; C233-Y257 VanDerWaalsContact N-O 3.16Å; F236-Y257 HydrophobicContact CE2-CD2 4.15Å; F236-Y257 HydrophobicContact CE2-CE2 4.09Å; H244-Y257 WeakPolarHBondContact O-CA 3.33Å; Y257-C262 HydrophobicContact CD2-CB 4.44Å; Y257-R276 WeakPolarHBondContact OH-CD 3.17Å; Y257-R276 PolarHBondContact OH-NH1 3.11Å; Y257-L299 HydrophobicContact CE2-CD2 4Å; Y257-L299 WeakPolarHBondContact OH-CD2 3.48Å
258	S	97.9	Very high	97	Very high	8 Å²	8	34.5 Å²	34.5	6%	0.056	20%	0.197	C	C	.	.			trans	-82.6	165.3	-177.9	68.2	0	0	0	0	112.9	E243 H244 N260 A261 C262	E243-S258 WeakPolarHBondContact O-CB 3.36Å; E243-S258 PolarHBondContact O-OG 3.03Å; H244-S258 PolarHBondContact O-N 3.43Å; H244-S258 PolarHBondContact O-OG 2.6Å; S258-N260 PolarHBondContact O-N 3.37Å; S258-A261 WeakPolarHBondContact O-CB 3.48Å; S258-A261 PolarHBondContact O-N 3.36Å; S258-A261 VanDerWaalsContact O-N 3.14Å; S258-A261 PolarHBondContact OG-N 3.1Å; S258-C262 PolarHBondContact O-N 3.42Å
259	F	97.6	Very high	97.1	Very high	25 Å²	25	35.8 Å²	35.8	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-56.1	-35.5	171.4	173.9	-109.6	0	0	0	112.1	F236 E239 C263 R289 K290 A298	F236-F259 HydrophobicContact CD1-CB 4.05Å; F236-F259 HydrophobicContact CD1-CD2 4.21Å; F236-F259 HydrophobicContact CD2-CB 4.32Å; F236-F259 HydrophobicContact CE1-CB 3.94Å; F236-F259 AromaticContact CE1-CD2 3.56Å; F236-F259 HydrophobicContact CE1-CD2 3.56Å; F236-F259 HydrophobicContact CE1-CG 4.23Å; F236-F259 HydrophobicContact CE2-CB 4.2Å; F236-F259 HydrophobicContact CG-CB 4.27Å; F236-F259 HydrophobicContact CZ-CB 4.02Å; F236-F259 AromaticContact CZ-CD2 3.98Å; F236-F259 HydrophobicContact CZ-CD2 3.98Å; E239-F259 VanDerWaalsContact OE1-CB 3.24Å; E239-F259 WeakPolarHBondContact OE1-CB 3.47Å; E239-F259 PolarHBondContact OE1-N 3.44Å; F259-C263 WeakPolarHBondContact CE2-SG 3.49Å; F259-C263 WeakPolarHBondContact CZ-SG 3.19Å; F259-C263 WeakPolarHBondContact O-CB 3.27Å; F259-C263 PolarHBondContact O-N 3.24Å; F259-C263 PolarHBondContact O-SG 3.42Å; F259-R289 HydrophobicContact CD2-CB 4.02Å; F259-R289 HydrophobicContact CD2-CG 4.37Å; F259-R289 HydrophobicContact CE1-CG 4.38Å; F259-R289 HydrophobicContact CE2-CB 3.8Å; F259-R289 HydrophobicContact CE2-CG 3.82Å; F259-R289 HydrophobicContact CZ-CB 4.33Å; F259-R289 HydrophobicContact CZ-CG 3.83Å; F259-K290 WeakPolarHBondContact CZ-O 3.3Å; F259-A298 HydrophobicContact CD2-CB 4.22Å; F259-A298 HydrophobicContact CE2-CB 3.83Å
260	N	96	Very high	97.2	Very high	82 Å²	82	38.3 Å²	38.3	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-68.5	-42.4	176.8	-165.2	39.5	0	0	0	111.6	H244 S258 C262 C263 H264	H244-N260 PolarHBondContact NE2-ND2 2.77Å; S258-N260 PolarHBondContact O-N 3.37Å; N260-C262 VanDerWaalsContact C-N 3.35Å; N260-C262 PolarHBondContact O-N 3.1Å; N260-C263 PolarHBondContact O-N 3.22Å; N260-H264 WeakPolarHBondContact O-CB 3.42Å; N260-H264 PolarHBondContact O-N 2.78Å
261	A	97.2	Very high	97.3	Very high	3 Å²	3	37 Å²	37	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-46.4	174.2	0	0	0	0	0	111.5	H244 F245 S258 H264 F265	H244-A261 HydrophobicContact CB-CB 3.7Å; H244-A261 VanDerWaalsContact O-CB 3.28Å; H244-A261 WeakPolarHBondContact O-CB 3.32Å; F245-A261 HydrophobicContact CE2-CB 4.19Å; F245-A261 HydrophobicContact CZ-CB 4.14Å; S258-A261 WeakPolarHBondContact O-CB 3.48Å; S258-A261 PolarHBondContact O-N 3.36Å; S258-A261 VanDerWaalsContact O-N 3.14Å; S258-A261 PolarHBondContact OG-N 3.1Å; A261-H264 PolarHBondContact O-N 3.27Å; A261-F265 WeakPolarHBondContact O-CB 3.49Å; A261-F265 PolarHBondContact O-N 2.74Å
262	C	97.8	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-50.5	176.6	-179.3	0	0	0	0	111.7	L199 F236 Y257 S258 N260 H264 F265 L266 A298	L199-C262 HydrophobicContact CD1-CB 4.36Å; F236-C262 HydrophobicContact CE2-CB 4.08Å; F236-C262 HydrophobicContact CZ-CB 3.82Å; Y257-C262 HydrophobicContact CD2-CB 4.44Å; S258-C262 PolarHBondContact O-N 3.42Å; N260-C262 VanDerWaalsContact C-N 3.35Å; N260-C262 PolarHBondContact O-N 3.1Å; C262-H264 VanDerWaalsContact C-N 3.33Å; C262-H264 PolarHBondContact O-N 2.93Å; C262-F265 PolarHBondContact O-N 3.21Å; C262-L266 WeakPolarHBondContact O-CB 3.31Å; C262-L266 VanDerWaalsContact O-CG 3.24Å; C262-L266 WeakPolarHBondContact O-CG 3.48Å; C262-L266 PolarHBondContact O-N 2.95Å; C262-A298 PolarHBondContact SG-O 2.87Å
263	C	96.9	Very high	97.5	Very high	10 Å²	10	35.1 Å²	35.1	7%	0.068	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-40.8	177.7	-73	0	0	0	0	112.5	F259 N260 L266 Q267	F259-C263 WeakPolarHBondContact CE2-SG 3.49Å; F259-C263 WeakPolarHBondContact CZ-SG 3.19Å; F259-C263 WeakPolarHBondContact O-CB 3.27Å; F259-C263 PolarHBondContact O-N 3.24Å; F259-C263 PolarHBondContact O-SG 3.42Å; N260-C263 PolarHBondContact O-N 3.22Å; C263-L266 PolarHBondContact O-N 3.07Å; C263-Q267 WeakPolarHBondContact O-CB 3.42Å; C263-Q267 WeakPolarHBondContact O-CG 3.38Å; C263-Q267 PolarHBondContact O-N 3.44Å
264	H	96.1	Very high	97.7	Very high	107 Å²	107	34.7 Å²	34.7	50%	0.495	18%	0.182	S	C	.	.	H	α-helix	trans	-62.2	-48.2	177.3	178.9	-89	0	0	0	111.3	N260 A261 C262 L266 Q267 A268	N260-H264 WeakPolarHBondContact O-CB 3.42Å; N260-H264 PolarHBondContact O-N 2.78Å; A261-H264 PolarHBondContact O-N 3.27Å; C262-H264 VanDerWaalsContact C-N 3.33Å; C262-H264 PolarHBondContact O-N 2.93Å; H264-L266 PolarHBondContact O-N 3.33Å; H264-Q267 PolarHBondContact O-N 2.81Å; H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.3Å
265	F	98.1	Very high	97.7	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.039	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-45.9	177.4	-178	-87.6	0	0	0	112.1	L193 L199 L203 L206 A261 C262 Q267 A268 N269 L271 I274	L193-F265 HydrophobicContact CD2-CE1 3.53Å; L193-F265 HydrophobicContact CD2-CZ 3.89Å; L199-F265 HydrophobicContact CD1-CB 3.91Å; L199-F265 HydrophobicContact CD1-CG 4.18Å; L199-F265 HydrophobicContact CD2-CD1 3.86Å; L199-F265 HydrophobicContact CD2-CD2 4.07Å; L199-F265 HydrophobicContact CD2-CE1 4.07Å; L199-F265 HydrophobicContact CD2-CE2 4.25Å; L199-F265 HydrophobicContact CD2-CG 3.87Å; L199-F265 HydrophobicContact CD2-CZ 4.25Å; L203-F265 WeakPolarHBondContact O-CD2 3.46Å; L203-F265 WeakPolarHBondContact O-CE2 3.49Å; L206-F265 HydrophobicContact CD2-CZ 4.4Å; A261-F265 WeakPolarHBondContact O-CB 3.49Å; A261-F265 PolarHBondContact O-N 2.74Å; C262-F265 PolarHBondContact O-N 3.21Å; F265-Q267 VanDerWaalsContact C-N 3.31Å; F265-Q267 PolarHBondContact O-N 3.26Å; F265-A268 PolarHBondContact O-N 2.71Å; F265-N269 WeakPolarHBondContact O-CB 3.37Å; F265-N269 PolarHBondContact O-N 3.09Å; F265-N269 PolarHBondContact O-ND2 2.69Å; F265-L271 HydrophobicContact CE1-CD1 3.98Å; F265-I274 HydrophobicContact CD1-CD1 4.3Å
266	L	98.1	Very high	97.7	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-43.3	177.4	-72.5	173.5	0	0	0	111.7	C262 C263 H264 N270 L271 I274 A298	C262-L266 WeakPolarHBondContact O-CB 3.31Å; C262-L266 VanDerWaalsContact O-CG 3.24Å; C262-L266 WeakPolarHBondContact O-CG 3.48Å; C262-L266 PolarHBondContact O-N 2.95Å; C263-L266 PolarHBondContact O-N 3.07Å; H264-L266 PolarHBondContact O-N 3.33Å; L266-N270 WeakPolarHBondContact O-CA 3.37Å; L266-N270 PolarHBondContact O-N 3.43Å; L266-L271 HydrophobicContact CD2-CB 3.51Å; L266-L271 HydrophobicContact CD2-CD1 4.37Å; L266-L271 PolarHBondContact O-N 3.48Å; L266-I274 HydrophobicContact CD2-CG1 3.87Å; L266-I274 HydrophobicContact CG-CG1 4.44Å; L266-A298 HydrophobicContact CD1-CB 3.96Å
267	Q	96.9	Very high	97.7	Very high	93 Å²	93	29 Å²	29	44%	0.435	16%	0.157	S	C	.	.	H	α-helix	trans	-65.5	-50.5	177.9	-76.3	172.1	29.6	0	0	112.3	C263 H264 F265 N269 N270 Q293	C263-Q267 WeakPolarHBondContact O-CB 3.42Å; C263-Q267 WeakPolarHBondContact O-CG 3.38Å; C263-Q267 PolarHBondContact O-N 3.44Å; H264-Q267 PolarHBondContact O-N 2.81Å; F265-Q267 VanDerWaalsContact C-N 3.31Å; F265-Q267 PolarHBondContact O-N 3.26Å; Q267-N269 PolarHBondContact O-N 3.5Å; Q267-N270 PolarHBondContact O-N 3.22Å; Q267-N270 VanDerWaalsContact O-N 3.16Å; Q267-Q293 VanDerWaalsContact CD-CD 3.4Å; Q267-Q293 VanDerWaalsContact NE2-NE2 3.2Å
268	A	97.1	Very high	97.7	Very high	67 Å²	67	29.2 Å²	29.2	55%	0.554	16%	0.159	S	C	*	.	H	α-helix	trans	-59.6	-30.3	-179.4	0	0	0	0	0	112.4	H264 F265	H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.3Å; F265-A268 PolarHBondContact O-N 2.71Å
269	N	98	Very high	97.7	Very high	26 Å²	26	30 Å²	30	14%	0.139	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	5.7	-178.9	-69.2	-82.6	0	0	0	114.3	H204 T205 L206 F265 Q267 L271	H204-N269 PolarHBondContact O-ND2 3.25Å; T205-N269 WeakPolarHBondContact CA-OD1 3.38Å; L206-N269 HydrophobicContact CD1-CB 4.36Å; L206-N269 HydrophobicContact CG-CB 4.19Å; L206-N269 PolarHBondContact N-OD1 3.14Å; F265-N269 WeakPolarHBondContact O-CB 3.37Å; F265-N269 PolarHBondContact O-N 3.09Å; F265-N269 PolarHBondContact O-ND2 2.69Å; Q267-N269 PolarHBondContact O-N 3.5Å; N269-L271 VanDerWaalsContact C-N 3.31Å; N269-L271 HydrophobicContact CB-CD1 3.94Å; N269-L271 HydrophobicContact CB-CG 3.96Å; N269-L271 PolarHBondContact O-N 3.03Å
270	N	97.4	Very high	97.7	Very high	140 Å²	140	29.3 Å²	29.3	75%	0.749	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	45.3	-178.7	-173.7	60.7	0	0	0	113.3	L266 Q267	L266-N270 WeakPolarHBondContact O-CA 3.37Å; L266-N270 PolarHBondContact O-N 3.43Å; Q267-N270 PolarHBondContact O-N 3.22Å; Q267-N270 VanDerWaalsContact O-N 3.16Å
271	L	98.1	Very high	97.8	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.073	14%	0.143	C	C	.	.			trans	-106.1	160.2	179	-61.6	176.3	0	0	0	111.5	L187 L193 L206 F265 L266 N269	L187-L271 HydrophobicContact CD1-CD2 3.55Å; L193-L271 HydrophobicContact CB-CD1 3.9Å; L206-L271 HydrophobicContact CD1-CD1 4.45Å; L206-L271 HydrophobicContact CD1-CD2 4.3Å; L206-L271 HydrophobicContact CD2-CD1 4.17Å; F265-L271 HydrophobicContact CE1-CD1 3.98Å; L266-L271 HydrophobicContact CD2-CB 3.51Å; L266-L271 HydrophobicContact CD2-CD1 4.37Å; L266-L271 PolarHBondContact O-N 3.48Å; N269-L271 VanDerWaalsContact C-N 3.31Å; N269-L271 HydrophobicContact CB-CD1 3.94Å; N269-L271 HydrophobicContact CB-CG 3.96Å; N269-L271 PolarHBondContact O-N 3.03Å
272	L	97.4	Very high	97.8	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.084	16%	0.164	C	C	.	.	S	Bend	trans	-93.9	-40.9	179.8	-179.2	64.3	0	0	0	112.7	Q191 F192 T294 F296 P636	Q191-L272 HydrophobicContact CB-CB 4.39Å; Q191-L272 PolarHBondContact O-N 3.28Å; F192-L272 HydrophobicContact CE1-CB 4.41Å; F192-L272 HydrophobicContact CE1-CD2 3.74Å; F192-L272 HydrophobicContact CE1-CG 4.29Å; F192-L272 HydrophobicContact CZ-CD2 3.68Å; L272-T294 HydrophobicContact CD1-CG2 3.88Å; L272-F296 HydrophobicContact CD1-CB 3.61Å; L272-F296 HydrophobicContact CD1-CD1 4.1Å; L272-F296 HydrophobicContact CD1-CG 3.88Å; L272-F296 HydrophobicContact CD2-CD1 3.93Å; L272-F296 HydrophobicContact CD2-CD2 4.18Å; L272-F296 HydrophobicContact CD2-CE1 3.97Å; L272-F296 HydrophobicContact CD2-CE2 4.19Å; L272-F296 HydrophobicContact CD2-CG 3.99Å; L272-F296 HydrophobicContact CD2-CZ 4.02Å; L272-F296 HydrophobicContact CG-CB 4.15Å; L272-F296 HydrophobicContact CG-CD1 3.64Å; L272-F296 HydrophobicContact CG-CE1 4.06Å; L272-F296 HydrophobicContact CG-CG 3.88Å; L272-P636 HydrophobicContact CD2-CB 3.59Å; L272-P636 HydrophobicContact CD2-CG 4.25Å
273	S	98.3	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	159.4	-174.5	-167.1	0	0	0	0	111.6	Q191 F192 L193 P297 A298	Q191-S273 PolarHBondContact O-N 3.24Å; F192-S273 WeakPolarHBondContact CA-O 3.39Å; L193-S273 PolarHBondContact N-O 3.19Å; S273-P297 VanDerWaalsContact CB-O 3.28Å; S273-P297 WeakPolarHBondContact CB-O 3.35Å; S273-P297 PolarHBondContact OG-O 2.75Å; S273-A298 WeakPolarHBondContact CA-O 3.3Å; S273-A298 PolarHBondContact OG-O 3.5Å
274	I	98.8	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.7	166.7	-58	177.7	0	0	0	107.9	L193 V195 L199 F265 L266 A298 L299 I300	L193-I274 CarbonylContact O-C 3.46Å; L193-I274 VanDerWaalsContact O-CA 3.32Å; L193-I274 WeakPolarHBondContact O-CA 3.3Å; V195-I274 HydrophobicContact CG2-CG2 4.2Å; L199-I274 HydrophobicContact CD1-CD1 3.66Å; L199-I274 HydrophobicContact CD2-CD1 3.59Å; L199-I274 HydrophobicContact CG-CD1 3.67Å; F265-I274 HydrophobicContact CD1-CD1 4.3Å; L266-I274 HydrophobicContact CD2-CG1 3.87Å; L266-I274 HydrophobicContact CG-CG1 4.44Å; I274-A298 PolarHBondContact N-O 3.27Å; I274-L299 HydrophobicContact CB-CD1 3.73Å; I274-L299 HydrophobicContact CG2-CD1 3.74Å; I274-L299 CarbonylContact O-C 3.55Å; I274-L299 WeakPolarHBondContact O-CA 3.29Å; I274-I300 PolarHBondContact O-N 2.94Å
275	I	98.8	Very high	98	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126	173.8	-52.2	177	0	0	0	107.5	I84 L113 F192 L193 C194 V195 I300 I302 L319	I84-I275 HydrophobicContact CD1-CD1 3.53Å; I84-I275 HydrophobicContact CD1-CG2 4.28Å; I84-I275 HydrophobicContact CG2-CG2 4.23Å; L113-I275 HydrophobicContact CD1-CG2 4.32Å; F192-I275 HydrophobicContact CB-CD1 3.98Å; F192-I275 HydrophobicContact CB-CG1 4.41Å; F192-I275 HydrophobicContact CD1-CD1 3.94Å; F192-I275 HydrophobicContact CD1-CG1 4.36Å; F192-I275 HydrophobicContact CG-CD1 4.09Å; L193-I275 PolarHBondContact O-N 2.8Å; C194-I275 VanDerWaalsContact CA-O 3.26Å; C194-I275 WeakPolarHBondContact CA-O 3.41Å; V195-I275 PolarHBondContact N-O 3.24Å; V195-I275 VanDerWaalsContact N-O 3.17Å; I275-I300 CarbonylContact C-O 3.53Å; I275-I300 WeakPolarHBondContact CA-O 3.42Å; I275-I300 HydrophobicContact CG1-CB 4.4Å; I275-I300 HydrophobicContact CG1-CD1 4.34Å; I275-I302 HydrophobicContact CG2-CG1 4.22Å; I275-L319 HydrophobicContact CD1-CD1 4.42Å
276	R	98.8	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	176.5	-175.6	68.2	159.6	-76.6	163.7	-16	113.2	V195 G197 A230 D231 P232 Y257 H278 E279 L299 I300 T301 I302	V195-R276 HydrophobicContact CG2-CB 4.39Å; V195-R276 VanDerWaalsContact O-CA 3.28Å; V195-R276 WeakPolarHBondContact O-CA 3.49Å; G197-R276 VanDerWaalsContact C-NH1 3.26Å; G197-R276 VanDerWaalsContact O-CB 3.27Å; G197-R276 WeakPolarHBondContact O-CB 3.42Å; G197-R276 WeakPolarHBondContact O-CD 3.4Å; G197-R276 PolarHBondContact O-NE 2.84Å; G197-R276 VanDerWaalsContact O-NE 3.1Å; G197-R276 PolarHBondContact O-NH1 3.22Å; A230-R276 PolarHBondContact O-NH1 3.09Å; D231-R276 IonicContact OD1-CZ 2.88Å; D231-R276 IonicContact OD1-NH1 2.85Å; D231-R276 IonicContact OD1-NH2 2.88Å; D231-R276 PolarHBondContact OD1-NH2 3.47Å; P232-R276 VanDerWaalsContact CD-NH1 3.31Å; Y257-R276 WeakPolarHBondContact OH-CD 3.17Å; Y257-R276 PolarHBondContact OH-NH1 3.11Å; R276-H278 PolarHBondContact NH2-CD2 3.43Å; R276-H278 VanDerWaalsContact NH2-CD2 3.31Å; R276-E279 IonicContact NH2-OE2 3.13Å; R276-L299 HydrophobicContact CG-CD1 3.89Å; R276-L299 HydrophobicContact CG-CG 4.46Å; R276-I300 PolarHBondContact N-O 3.28Å; R276-T301 HydrophobicContact CG-CG2 4.42Å; R276-T301 WeakPolarHBondContact CG-OG1 3.1Å; R276-T301 CarbonylContact O-C 3.47Å; R276-T301 WeakPolarHBondContact O-CA 3.12Å; R276-I302 PolarHBondContact O-N 2.85Å
277	A	98.8	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.			trans	-128.4	-134.8	176.6	0	0	0	0	0	109.8	D87 L113 H196 E279 I302	D87-A277 WeakPolarHBondContact OD1-CB 3.39Å; L113-A277 HydrophobicContact CB-CB 3.74Å; L113-A277 HydrophobicContact CD1-CB 3.96Å; H196-A277 CarbonylContact O-C 3.53Å; H196-A277 PolarHBondContact O-N 2.93Å; A277-E279 PolarHBondContact O-N 2.91Å; A277-I302 WeakPolarHBondContact CA-O 3.31Å
278	H	98.5	Very high	97.9	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.023	16%	0.161	C	C	.	.	S	Bend	trans	70.5	-16.5	165	-175.9	61.5	0	0	0	116.7	D87 N147 H196 D231 R251 R276	D87-H278 PolarHBondContact OD1-N 2.91Å; D87-H278 VanDerWaalsContact OD2-CA 3.28Å; D87-H278 WeakPolarHBondContact OD2-CA 3.14Å; D87-H278 PolarHBondContact OD2-N 3.01Å; N147-H278 PolarHBondContact OD1-CE1 3.05Å; N147-H278 PolarHBondContact OD1-ND1 3.19Å; H196-H278 AromaticContact CD2-CG 4Å; H196-H278 AromaticContact CD2-ND1 3.85Å; H196-H278 WeakPolarHBondContact NE2-CB 3.41Å; H196-H278 AromaticContact NE2-CG 3.77Å; H196-H278 AromaticContact NE2-ND1 3.42Å; H196-H278 PolarHBondContact NE2-ND1 3.08Å; H196-H278 WeakPolarHBondContact O-CB 3.17Å; D231-H278 IonicContact OD1-CD2 3.35Å; D231-H278 PolarHBondContact OD1-CD2 3.32Å; D231-H278 VanDerWaalsContact OD1-CD2 3.31Å; D231-H278 IonicContact OD1-NE2 3.65Å; R251-H278 VanDerWaalsContact CZ-NE2 3.28Å; R251-H278 PolarHBondContact NE-NE2 3.07Å; R251-H278 PolarHBondContact NH2-CD2 2.95Å; R251-H278 PolarHBondContact NH2-NE2 3.24Å; R251-H278 PolarHBondContact NH2-O 2.84Å; R276-H278 PolarHBondContact NH2-CD2 3.43Å; R276-H278 VanDerWaalsContact NH2-CD2 3.31Å
279	E	97.9	Very high	97.8	Very high	25 Å²	25	33 Å²	33	12%	0.117	16%	0.16	C	C	.	.	S	Bend	trans	-121.5	118.2	173.2	-76.6	-174.7	100.9	0	0	110.9	D231 P232 R276 A277 Q281 Y288 T301	D231-E279 WeakPolarHBondContact OD1-CG 3.27Å; P232-E279 WeakPolarHBondContact CD-OE2 3.44Å; P232-E279 WeakPolarHBondContact CG-OE2 3.3Å; R276-E279 IonicContact NH2-OE2 3.13Å; A277-E279 PolarHBondContact O-N 2.91Å; E279-Q281 WeakPolarHBondContact O-CG 3.4Å; E279-Q281 PolarHBondContact O-N 2.89Å; E279-Q281 PolarHBondContact O-NE2 3.42Å; E279-Y288 PolarHBondContact OE2-OH 3.13Å; E279-T301 HydrophobicContact CB-CG2 4.29Å
280	A	96.7	Very high	97.8	Very high	10 Å²	10	38.1 Å²	38.1	8%	0.083	18%	0.181	C	C	.	.			trans	-53.1	137.2	171	0	0	0	0	0	111.5	F303 Y308 Y312 F455	A280-F303 HydrophobicContact CB-CD1 4.22Å; A280-F303 HydrophobicContact CB-CD2 4.34Å; A280-F303 HydrophobicContact CB-CE1 3.9Å; A280-F303 HydrophobicContact CB-CE2 4.03Å; A280-F303 HydrophobicContact CB-CG 4.42Å; A280-F303 HydrophobicContact CB-CZ 3.81Å; A280-Y308 HydrophobicContact CB-CD1 4.39Å; A280-Y312 HydrophobicContact CB-CD1 4.37Å; A280-Y312 HydrophobicContact CB-CE1 4.09Å; A280-F455 HydrophobicContact CB-CE2 4.23Å; A280-F455 HydrophobicContact CB-CZ 4.28Å; A280-F455 WeakPolarHBondContact O-CZ 3.02Å
281	Q	97.9	Very high	97.5	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.084	15%	0.147	C	C	.	.			trans	-127.6	134.9	178.3	-55	-57.6	-48	0	0	109.2	E279 A283 G284 R286 T301	E279-Q281 WeakPolarHBondContact O-CG 3.4Å; E279-Q281 PolarHBondContact O-N 2.89Å; E279-Q281 PolarHBondContact O-NE2 3.42Å; Q281-A283 VanDerWaalsContact C-N 3.28Å; Q281-A283 PolarHBondContact O-N 3Å; Q281-G284 WeakPolarHBondContact O-CA 3.43Å; Q281-G284 PolarHBondContact O-N 3.25Å; Q281-R286 HydrophobicContact CG-CB 4.18Å; Q281-R286 VanDerWaalsContact OE1-CB 3.3Å; Q281-T301 HydrophobicContact CG-CG2 4.03Å
282	D	97.3	Very high	97.2	Very high	86 Å²	86	42.5 Å²	42.5	46%	0.46	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-43.3	179.6	178.6	38.1	0	0	0	112.3	G284 N314 K315 F455	D282-G284 VanDerWaalsContact C-N 3.3Å; D282-G284 PolarHBondContact O-N 2.85Å; D282-N314 WeakPolarHBondContact O-CA 3.12Å; D282-N314 WeakPolarHBondContact O-CB 3.27Å; D282-K315 PolarHBondContact O-N 3.35Å; D282-F455 HydrophobicContact CB-CB 4.28Å; D282-F455 HydrophobicContact CB-CD1 3.87Å; D282-F455 HydrophobicContact CB-CD2 4.05Å; D282-F455 HydrophobicContact CB-CE1 4.21Å; D282-F455 HydrophobicContact CB-CE2 4.34Å; D282-F455 HydrophobicContact CB-CG 3.79Å; D282-F455 HydrophobicContact CB-CZ 4.43Å
283	A	97.7	Very high	96.7	Very high	31 Å²	31	47.3 Å²	47.3	26%	0.256	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.6	175.2	0	0	0	0	0	114.1	Q281 Y285 Q330	Q281-A283 VanDerWaalsContact C-N 3.28Å; Q281-A283 PolarHBondContact O-N 3Å; A283-Y285 HydrophobicContact CB-CD1 4.21Å; A283-Y285 HydrophobicContact CB-CE1 4.01Å; A283-Y285 WeakPolarHBondContact O-CD1 3.48Å; A283-Y285 PolarHBondContact O-N 2.8Å; A283-Q330 PolarHBondContact O-NE2 3.17Å
284	G	98.2	Very high	96.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	75.5	-1	-171.5	0	0	0	0	0	114.3	Q281 D282 F303 K315 A317	Q281-G284 WeakPolarHBondContact O-CA 3.43Å; Q281-G284 PolarHBondContact O-N 3.25Å; D282-G284 VanDerWaalsContact C-N 3.3Å; D282-G284 PolarHBondContact O-N 2.85Å; G284-F303 PolarHBondContact O-N 2.87Å; G284-F303 VanDerWaalsContact O-O 3.08Å; G284-K315 WeakPolarHBondContact CA-O 3.37Å; G284-K315 PolarHBondContact N-O 2.7Å; G284-K315 VanDerWaalsContact N-O 3.07Å; G284-A317 WeakPolarHBondContact O-CB 3.28Å
285	Y	98.5	Very high	96.1	Very high	24 Å²	24	51.6 Å²	51.6	9%	0.094	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161	173.6	70.9	-80.4	0	0	0	111.7	A283 M287 T301 A317 I328 Q330 R632	A283-Y285 HydrophobicContact CB-CD1 4.21Å; A283-Y285 HydrophobicContact CB-CE1 4.01Å; A283-Y285 WeakPolarHBondContact O-CD1 3.48Å; A283-Y285 PolarHBondContact O-N 2.8Å; Y285-M287 HydrophobicContact CD2-CG 4.15Å; Y285-M287 HydrophobicContact CE2-CG 4.23Å; Y285-T301 CarbonylContact C-O 3.47Å; Y285-T301 WeakPolarHBondContact CA-O 3.39Å; Y285-T301 WeakPolarHBondContact CB-O 3.26Å; Y285-A317 HydrophobicContact CD1-CB 3.98Å; Y285-I328 HydrophobicContact CD1-CD1 4.17Å; Y285-I328 HydrophobicContact CD1-CG2 3.7Å; Y285-I328 HydrophobicContact CD2-CD1 3.31Å; Y285-I328 HydrophobicContact CE1-CD1 4.29Å; Y285-I328 HydrophobicContact CE1-CG2 3.94Å; Y285-I328 HydrophobicContact CE2-CD1 3.45Å; Y285-I328 VanDerWaalsContact CE2-CD1 3.45Å; Y285-I328 HydrophobicContact CG-CD1 3.69Å; Y285-I328 HydrophobicContact CG-CG2 4.11Å; Y285-Q330 HydrophobicContact CD1-CG 4.36Å; Y285-Q330 HydrophobicContact CE1-CG 4.11Å; Y285-R632 WeakPolarHBondContact OH-CD 3.38Å; Y285-R632 PolarHBondContact OH-NH1 3.32Å
286	R	97.6	Very high	95.9	Very high	93 Å²	93	51.8 Å²	51.8	35%	0.351	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	127.8	169.2	-177.3	171	176.5	-170.3	1.3	110.5	Q281 Y288 I300 T301	Q281-R286 HydrophobicContact CG-CB 4.18Å; Q281-R286 VanDerWaalsContact OE1-CB 3.3Å; R286-Y288 HydrophobicContact CB-CD2 4.43Å; R286-Y288 HydrophobicContact CB-CE2 3.86Å; R286-Y288 HydrophobicContact CG-CD2 3.97Å; R286-Y288 HydrophobicContact CG-CE1 4.43Å; R286-Y288 HydrophobicContact CG-CE2 3.63Å; R286-Y288 HydrophobicContact CG-CG 4.48Å; R286-I300 WeakPolarHBondContact O-CA 3.46Å; R286-T301 PolarHBondContact N-O 2.78Å; R286-T301 PolarHBondContact O-N 3.45Å
287	M	96.5	Very high	95.9	Very high	51 Å²	51	52 Å²	52	25%	0.251	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.1	171.7	-68.7	-77.7	170.9	0	0	107.8	Y285 P297 I300 L319 M326 I328 I634	Y285-M287 HydrophobicContact CD2-CG 4.15Å; Y285-M287 HydrophobicContact CE2-CG 4.23Å; M287-P297 HydrophobicContact CB-CG 4.42Å; M287-P297 HydrophobicContact SD-CB 4.19Å; M287-P297 HydrophobicContact SD-CG 4Å; M287-I300 HydrophobicContact CE-CD1 3.85Å; M287-I300 HydrophobicContact CE-CG1 4.18Å; M287-I300 HydrophobicContact CE-CG2 3.59Å; M287-I300 HydrophobicContact SD-CB 4.24Å; M287-I300 HydrophobicContact SD-CD1 3.63Å; M287-I300 HydrophobicContact SD-CG1 3.55Å; M287-I300 VanDerWaalsContact SD-CG1 3.55Å; M287-I300 HydrophobicContact SD-CG2 3.8Å; M287-L319 HydrophobicContact CE-CD1 4.4Å; M287-M326 HydrophobicContact CE-CE 4.25Å; M287-I328 HydrophobicContact CE-CD1 3.28Å; M287-I328 HydrophobicContact CE-CG1 4.09Å; M287-I634 HydrophobicContact CE-CD1 3.76Å; M287-I634 HydrophobicContact CG-CD1 4.31Å; M287-I634 HydrophobicContact SD-CD1 3.9Å
288	Y	97.1	Very high	95.8	Very high	14 Å²	14	52 Å²	52	6%	0.055	25%	0.247	C	C	.	.			trans	-82.4	-179.1	-176.7	-67.3	-106.6	0	0	0	111.3	P232 F236 E279 R286 K290 L299 T301	P232-Y288 HydrophobicContact CB-CE1 3.99Å; P232-Y288 HydrophobicContact CG-CE1 3.77Å; P232-Y288 WeakPolarHBondContact CG-OH 3.45Å; F236-Y288 HydrophobicContact CB-CD1 3.99Å; F236-Y288 HydrophobicContact CB-CE1 4.27Å; F236-Y288 AromaticContact CD1-CD1 3.49Å; F236-Y288 HydrophobicContact CD1-CD1 3.49Å; F236-Y288 VanDerWaalsContact CD1-CD1 3.49Å; F236-Y288 HydrophobicContact CD1-CE1 4.44Å; F236-Y288 HydrophobicContact CD1-CG 4.03Å; F236-Y288 HydrophobicContact CE1-CD1 4.05Å; F236-Y288 HydrophobicContact CE1-CG 4.16Å; F236-Y288 AromaticContact CG-CD1 3.85Å; F236-Y288 HydrophobicContact CG-CD1 3.85Å; F236-Y288 HydrophobicContact CG-CE1 4.4Å; E279-Y288 PolarHBondContact OE2-OH 3.13Å; R286-Y288 HydrophobicContact CB-CD2 4.43Å; R286-Y288 HydrophobicContact CB-CE2 3.86Å; R286-Y288 HydrophobicContact CG-CD2 3.97Å; R286-Y288 HydrophobicContact CG-CE1 4.43Å; R286-Y288 HydrophobicContact CG-CE2 3.63Å; R286-Y288 HydrophobicContact CG-CG 4.48Å; Y288-K290 PolarHBondContact O-N 2.9Å; Y288-L299 WeakPolarHBondContact CB-O 3.32Å; Y288-L299 HydrophobicContact CD1-CD2 4.23Å; Y288-L299 HydrophobicContact CD2-CB 3.93Å; Y288-L299 HydrophobicContact CD2-CD2 3.88Å; Y288-L299 HydrophobicContact CD2-CG 3.84Å; Y288-L299 WeakPolarHBondContact CD2-O 3.43Å; Y288-L299 HydrophobicContact CE1-CD2 4.18Å; Y288-L299 HydrophobicContact CE2-CD2 3.88Å; Y288-L299 HydrophobicContact CE2-CG 4.1Å; Y288-L299 HydrophobicContact CG-CB 4.03Å; Y288-L299 HydrophobicContact CG-CD2 4.07Å; Y288-L299 HydrophobicContact CG-CG 4.29Å; Y288-L299 PolarHBondContact N-O 2.61Å; Y288-T301 VanDerWaalsContact CE2-OG1 3.29Å; Y288-T301 WeakPolarHBondContact CE2-OG1 3.39Å; Y288-T301 PolarHBondContact OH-OG1 3.34Å
289	R	95.9	Very high	95.8	Very high	138 Å²	138	51.8 Å²	51.8	52%	0.521	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-50.5	139	179.9	-174.7	175.8	177.7	-173.4	-2	111.5	G237 F259 A298	G237-R289 WeakPolarHBondContact O-CD 3.34Å; G237-R289 PolarHBondContact O-NH1 2.86Å; F259-R289 HydrophobicContact CD2-CB 4.02Å; F259-R289 HydrophobicContact CD2-CG 4.37Å; F259-R289 HydrophobicContact CE1-CG 4.38Å; F259-R289 HydrophobicContact CE2-CB 3.8Å; F259-R289 HydrophobicContact CE2-CG 3.82Å; F259-R289 HydrophobicContact CZ-CB 4.33Å; F259-R289 HydrophobicContact CZ-CG 3.83Å; R289-A298 PolarHBondContact O-N 2.78Å
290	K	96.5	Very high	95.9	Very high	134 Å²	134	50.6 Å²	50.6	58%	0.583	24%	0.24	S	C	*	.	B	Isolated β-bridge	trans	-73.2	136.7	177.5	-67.1	172.6	169.7	-171.9	0	111.2	F259 Y288 R292 G295 F296 P297	F259-K290 WeakPolarHBondContact CZ-O 3.3Å; Y288-K290 PolarHBondContact O-N 2.9Å; K290-R292 PolarHBondContact O-N 3.08Å; K290-G295 WeakPolarHBondContact CD-O 3.23Å; K290-F296 CarbonylContact C-O 3.48Å; K290-F296 VanDerWaalsContact CA-O 3.23Å; K290-F296 WeakPolarHBondContact CA-O 3.31Å; K290-P297 HydrophobicContact CG-CG 4.32Å
291	S	93	Very high	95.9	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.042	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.8	134	167	169.6	0	0	0	0	109.6	Q293 T294 G295 F296	S291-Q293 PolarHBondContact O-N 2.96Å; S291-Q293 PolarHBondContact OG-N 3.19Å; S291-T294 WeakPolarHBondContact CB-OG1 2.95Å; S291-G295 WeakPolarHBondContact O-CA 3.5Å; S291-G295 PolarHBondContact O-N 3.21Å; S291-F296 PolarHBondContact N-O 2.95Å
292	R	90.9	Very high	96	Very high	240 Å²	240	49.3 Å²	49.3	91%	0.906	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.2	179.6	-173.8	173.4	66.5	-136.5	-0.6	112.2	K290	K290-R292 PolarHBondContact O-N 3.08Å
293	Q	87.5	Confident	96.1	Very high	116 Å²	116	45.3 Å²	45.3	54%	0.542	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-38.8	-176.1	-70.4	177.3	-16.9	0	0	112.7	Q267 S291	Q267-Q293 VanDerWaalsContact CD-CD 3.4Å; Q267-Q293 VanDerWaalsContact NE2-NE2 3.2Å; S291-Q293 PolarHBondContact O-N 2.96Å; S291-Q293 PolarHBondContact OG-N 3.19Å
294	T	89.8	Confident	96.1	Very high	44 Å²	44	44 Å²	44	27%	0.27	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-16.9	-174.9	63.3	0	0	0	0	113.2	L272 S291 F296	L272-T294 HydrophobicContact CD1-CG2 3.88Å; S291-T294 WeakPolarHBondContact CB-OG1 2.95Å; T294-F296 PolarHBondContact O-N 2.79Å; T294-F296 PolarHBondContact OG1-N 2.64Å
295	G	93.6	Very high	96.1	Very high	47 Å²	47	44 Å²	44	49%	0.485	20%	0.2	S	C	.	.	S	Bend	trans	68	12.8	-173.9	0	0	0	0	0	113.9	K290 S291	K290-G295 WeakPolarHBondContact CD-O 3.23Å; S291-G295 WeakPolarHBondContact O-CA 3.5Å; S291-G295 PolarHBondContact O-N 3.21Å
296	F	95.8	Very high	96	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.022	20%	0.195	C	C	.	.	S	Bend	trans	-114.8	146.9	-174	-165.8	-93.5	0	0	0	111.3	F192 L272 K290 S291 T294 A298 I300 M326 I634 P636	F192-F296 AromaticContact CE1-CE1 3.77Å; F192-F296 HydrophobicContact CE1-CE1 3.77Å; F192-F296 AromaticContact CE1-CZ 3.85Å; F192-F296 HydrophobicContact CE1-CZ 3.85Å; F192-F296 HydrophobicContact CZ-CZ 4.31Å; L272-F296 HydrophobicContact CD1-CB 3.61Å; L272-F296 HydrophobicContact CD1-CD1 4.1Å; L272-F296 HydrophobicContact CD1-CG 3.88Å; L272-F296 HydrophobicContact CD2-CD1 3.93Å; L272-F296 HydrophobicContact CD2-CD2 4.18Å; L272-F296 HydrophobicContact CD2-CE1 3.97Å; L272-F296 HydrophobicContact CD2-CE2 4.19Å; L272-F296 HydrophobicContact CD2-CG 3.99Å; L272-F296 HydrophobicContact CD2-CZ 4.02Å; L272-F296 HydrophobicContact CG-CB 4.15Å; L272-F296 HydrophobicContact CG-CD1 3.64Å; L272-F296 HydrophobicContact CG-CE1 4.06Å; L272-F296 HydrophobicContact CG-CG 3.88Å; K290-F296 CarbonylContact C-O 3.48Å; K290-F296 VanDerWaalsContact CA-O 3.23Å; K290-F296 WeakPolarHBondContact CA-O 3.31Å; S291-F296 PolarHBondContact N-O 2.95Å; T294-F296 PolarHBondContact O-N 2.79Å; T294-F296 PolarHBondContact OG1-N 2.64Å; F296-A298 PolarHBondContact O-N 3.04Å; F296-I300 HydrophobicContact CE1-CD1 4.25Å; F296-M326 HydrophobicContact CE1-CE 3.86Å; F296-M326 HydrophobicContact CE1-SD 4.43Å; F296-M326 HydrophobicContact CE2-CE 3.81Å; F296-M326 HydrophobicContact CZ-CE 3.09Å; F296-M326 HydrophobicContact CZ-SD 3.71Å; F296-I634 HydrophobicContact CE2-CG2 4.04Å; F296-P636 HydrophobicContact CD2-CB 4.07Å; F296-P636 HydrophobicContact CE2-CB 3.82Å; F296-P636 HydrophobicContact CE2-CG 3.78Å; F296-P636 HydrophobicContact CZ-CG 4.3Å
297	P	97.5	Very high	95.9	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.039	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-50.6	122.4	176.6	-28.7	37	0	0	0	111.6	S273 M287 K290 L299 I300	S273-P297 VanDerWaalsContact CB-O 3.28Å; S273-P297 WeakPolarHBondContact CB-O 3.35Å; S273-P297 PolarHBondContact OG-O 2.75Å; M287-P297 HydrophobicContact CB-CG 4.42Å; M287-P297 HydrophobicContact SD-CB 4.19Å; M287-P297 HydrophobicContact SD-CG 4Å; K290-P297 HydrophobicContact CG-CG 4.32Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 2.87Å; P297-I300 HydrophobicContact CB-CG1 4.24Å
298	A	97.8	Very high	95.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-68.5	-30.6	-178.2	0	0	0	0	0	111.9	F259 C262 L266 S273 I274 R289 F296	F259-A298 HydrophobicContact CD2-CB 4.22Å; F259-A298 HydrophobicContact CE2-CB 3.83Å; C262-A298 PolarHBondContact SG-O 2.87Å; L266-A298 HydrophobicContact CD1-CB 3.96Å; S273-A298 WeakPolarHBondContact CA-O 3.3Å; S273-A298 PolarHBondContact OG-O 3.5Å; I274-A298 PolarHBondContact N-O 3.27Å; R289-A298 PolarHBondContact O-N 2.78Å; F296-A298 PolarHBondContact O-N 3.04Å
299	L	98.6	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.6	179	-177.4	70.4	0	0	0	109.9	P232 F236 Y257 I274 R276 Y288 P297	P232-L299 HydrophobicContact CB-CD2 3.63Å; P232-L299 HydrophobicContact CG-CD2 3.78Å; F236-L299 HydrophobicContact CE1-CB 4.24Å; F236-L299 HydrophobicContact CE2-CD2 4.28Å; F236-L299 HydrophobicContact CZ-CB 4.02Å; F236-L299 HydrophobicContact CZ-CD2 4.18Å; Y257-L299 HydrophobicContact CE2-CD2 4Å; Y257-L299 WeakPolarHBondContact OH-CD2 3.48Å; I274-L299 HydrophobicContact CB-CD1 3.73Å; I274-L299 HydrophobicContact CG2-CD1 3.74Å; I274-L299 CarbonylContact O-C 3.55Å; I274-L299 WeakPolarHBondContact O-CA 3.29Å; R276-L299 HydrophobicContact CG-CD1 3.89Å; R276-L299 HydrophobicContact CG-CG 4.46Å; Y288-L299 WeakPolarHBondContact CB-O 3.32Å; Y288-L299 HydrophobicContact CD1-CD2 4.23Å; Y288-L299 HydrophobicContact CD2-CB 3.93Å; Y288-L299 HydrophobicContact CD2-CD2 3.88Å; Y288-L299 HydrophobicContact CD2-CG 3.84Å; Y288-L299 WeakPolarHBondContact CD2-O 3.43Å; Y288-L299 HydrophobicContact CE1-CD2 4.18Å; Y288-L299 HydrophobicContact CE2-CD2 3.88Å; Y288-L299 HydrophobicContact CE2-CG 4.1Å; Y288-L299 HydrophobicContact CG-CB 4.03Å; Y288-L299 HydrophobicContact CG-CD2 4.07Å; Y288-L299 HydrophobicContact CG-CG 4.29Å; Y288-L299 PolarHBondContact N-O 2.61Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 2.87Å
300	I	98.6	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.1	174.3	-52.3	176.2	0	0	0	107.7	I274 I275 R276 R286 M287 F296 P297 I302 L319 M326	I274-I300 PolarHBondContact O-N 2.94Å; I275-I300 CarbonylContact C-O 3.53Å; I275-I300 WeakPolarHBondContact CA-O 3.42Å; I275-I300 HydrophobicContact CG1-CB 4.4Å; I275-I300 HydrophobicContact CG1-CD1 4.34Å; R276-I300 PolarHBondContact N-O 3.28Å; R286-I300 WeakPolarHBondContact O-CA 3.46Å; M287-I300 HydrophobicContact CE-CD1 3.85Å; M287-I300 HydrophobicContact CE-CG1 4.18Å; M287-I300 HydrophobicContact CE-CG2 3.59Å; M287-I300 HydrophobicContact SD-CB 4.24Å; M287-I300 HydrophobicContact SD-CD1 3.63Å; M287-I300 HydrophobicContact SD-CG1 3.55Å; M287-I300 VanDerWaalsContact SD-CG1 3.55Å; M287-I300 HydrophobicContact SD-CG2 3.8Å; F296-I300 HydrophobicContact CE1-CD1 4.25Å; P297-I300 HydrophobicContact CB-CG1 4.24Å; I300-I302 HydrophobicContact CG2-CD1 3.89Å; I300-I302 HydrophobicContact CG2-CG1 4.28Å; I300-L319 HydrophobicContact CD1-CD1 4.35Å; I300-L319 HydrophobicContact CG2-CD1 4.17Å; I300-M326 HydrophobicContact CD1-CE 3.52Å; I300-M326 HydrophobicContact CD1-SD 4.03Å
301	T	98.7	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.7	170.2	-59.8	0	0	0	0	109.1	R276 E279 Q281 Y285 R286 Y288	R276-T301 HydrophobicContact CG-CG2 4.42Å; R276-T301 WeakPolarHBondContact CG-OG1 3.1Å; R276-T301 CarbonylContact O-C 3.47Å; R276-T301 WeakPolarHBondContact O-CA 3.12Å; E279-T301 HydrophobicContact CB-CG2 4.29Å; Q281-T301 HydrophobicContact CG-CG2 4.03Å; Y285-T301 CarbonylContact C-O 3.47Å; Y285-T301 WeakPolarHBondContact CA-O 3.39Å; Y285-T301 WeakPolarHBondContact CB-O 3.26Å; R286-T301 PolarHBondContact N-O 2.78Å; R286-T301 PolarHBondContact O-N 3.45Å; Y288-T301 VanDerWaalsContact CE2-OG1 3.29Å; Y288-T301 WeakPolarHBondContact CE2-OG1 3.39Å; Y288-T301 PolarHBondContact OH-OG1 3.34Å
302	I	98.7	Very high	93.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.7	175.6	-56.5	-61.6	0	0	0	108.4	G86 I275 R276 A277 I300 A317 L319	G86-I302 WeakPolarHBondContact CA-O 3.48Å; I275-I302 HydrophobicContact CG2-CG1 4.22Å; R276-I302 PolarHBondContact O-N 2.85Å; A277-I302 WeakPolarHBondContact CA-O 3.31Å; I300-I302 HydrophobicContact CG2-CD1 3.89Å; I300-I302 HydrophobicContact CG2-CG1 4.28Å; I302-A317 VanDerWaalsContact CG2-O 3.3Å; I302-A317 WeakPolarHBondContact CG2-O 3.16Å; I302-L319 HydrophobicContact CD1-CB 3.97Å; I302-L319 HydrophobicContact CD1-CD1 4.16Å; I302-L319 HydrophobicContact CG1-CB 4.25Å
303	F	98.7	Very high	93.8	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.013	15%	0.146	C	C	.	.			trans	-132.8	121.7	177.7	-164.1	-100.8	0	0	0	108.6	D87 A280 G284 A305 Y308 A316 A317	D87-F303 HydrophobicContact CB-CD2 3.73Å; D87-F303 HydrophobicContact CB-CE2 3.46Å; D87-F303 VanDerWaalsContact CB-CE2 3.46Å; D87-F303 HydrophobicContact CB-CZ 4.16Å; D87-F303 VanDerWaalsContact CG-CD2 3.47Å; D87-F303 WeakPolarHBondContact OD1-CD2 3.33Å; D87-F303 WeakPolarHBondContact OD2-CE2 3.47Å; A280-F303 HydrophobicContact CB-CD1 4.22Å; A280-F303 HydrophobicContact CB-CD2 4.34Å; A280-F303 HydrophobicContact CB-CE1 3.9Å; A280-F303 HydrophobicContact CB-CE2 4.03Å; A280-F303 HydrophobicContact CB-CG 4.42Å; A280-F303 HydrophobicContact CB-CZ 3.81Å; G284-F303 PolarHBondContact O-N 2.87Å; G284-F303 VanDerWaalsContact O-O 3.08Å; F303-A305 HydrophobicContact CD1-CB 4.11Å; F303-A305 WeakPolarHBondContact CD1-O 3.28Å; F303-A305 HydrophobicContact CE1-CB 3.49Å; F303-A305 VanDerWaalsContact CE1-CB 3.49Å; F303-A305 VanDerWaalsContact CE1-O 3.26Å; F303-A305 WeakPolarHBondContact CE1-O 3.43Å; F303-A305 HydrophobicContact CZ-CB 3.93Å; F303-Y308 HydrophobicContact CE1-CD1 4.35Å; F303-Y308 HydrophobicContact CE1-CD2 4.48Å; F303-Y308 HydrophobicContact CE1-CG 4.03Å; F303-Y308 HydrophobicContact CZ-CD1 4Å; F303-Y308 HydrophobicContact CZ-CD2 4.18Å; F303-Y308 HydrophobicContact CZ-CE1 4.34Å; F303-Y308 AromaticContact CZ-CG 3.92Å; F303-Y308 HydrophobicContact CZ-CG 3.92Å; F303-A316 WeakPolarHBondContact O-CA 3.45Å; F303-A317 PolarHBondContact O-N 2.74Å
304	S	98.8	Very high	94.2	Very high	2 Å²	2	20 Å²	20	1%	0.014	12%	0.122	C	C	.	.			trans	-107.4	7.5	-168.2	-66.7	0	0	0	0	114	G86 D87 P306 A316 A317 F331	G86-S304 PolarHBondContact N-OG 3.21Å; D87-S304 CarbonylContact O-C 3.14Å; D87-S304 WeakPolarHBondContact O-CA 3.07Å; D87-S304 WeakPolarHBondContact O-CB 3.44Å; D87-S304 PolarHBondContact O-N 3.22Å; S304-P306 WeakPolarHBondContact O-CD 3.33Å; S304-A316 VanDerWaalsContact C-CB 3.45Å; S304-A316 VanDerWaalsContact O-CB 3.3Å; S304-A316 WeakPolarHBondContact O-CB 3.32Å; S304-A317 PolarHBondContact OG-O 2.79Å; S304-F331 WeakPolarHBondContact O-CZ 3.42Å
305	A	97.9	Very high	94.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.124	C	C	.	.			trans	-99.7	103.8	175.5	0	0	0	0	0	110.9	D87 F303 Y308 N314	D87-A305 PolarHBondContact O-N 2.94Å; D87-A305 VanDerWaalsContact O-N 3.09Å; F303-A305 HydrophobicContact CD1-CB 4.11Å; F303-A305 WeakPolarHBondContact CD1-O 3.28Å; F303-A305 HydrophobicContact CE1-CB 3.49Å; F303-A305 VanDerWaalsContact CE1-CB 3.49Å; F303-A305 VanDerWaalsContact CE1-O 3.26Å; F303-A305 WeakPolarHBondContact CE1-O 3.43Å; F303-A305 HydrophobicContact CZ-CB 3.93Å; A305-Y308 HydrophobicContact CB-CD2 4.34Å; A305-N314 PolarHBondContact O-ND2 3.43Å
306	P	97.5	Very high	94.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	151.4	179.2	33.8	-33.2	0	0	0	110.6	Q91 D94 S304 Y308 A316 F331 C333	Q91-P306 PolarHBondContact NE2-O 3.1Å; D94-P306 HydrophobicContact CB-CG 3.84Å; D94-P306 VanDerWaalsContact CG-CG 3.44Å; S304-P306 WeakPolarHBondContact O-CD 3.33Å; P306-Y308 PolarHBondContact O-N 3.07Å; P306-A316 HydrophobicContact CB-CB 3.68Å; P306-A316 HydrophobicContact CG-CB 3.96Å; P306-F331 HydrophobicContact CG-CD2 4.31Å; P306-F331 HydrophobicContact CG-CE2 4.03Å; P306-C333 HydrophobicContact CB-CB 4.08Å; P306-C333 HydrophobicContact CG-CB 3.91Å
307	N	93.8	Very high	95	Very high	26 Å²	26	19 Å²	19	14%	0.139	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.6	49	-174.3	-169	43.3	0	0	0	111.8	L309 D310 N313 N314 C333	N307-L309 PolarHBondContact O-N 3.37Å; N307-D310 VanDerWaalsContact ND2-CA 3.33Å; N307-D310 WeakPolarHBondContact ND2-CA 3.47Å; N307-D310 PolarHBondContact ND2-O 3.08Å; N307-D310 VanDerWaalsContact O-CA 3.25Å; N307-D310 WeakPolarHBondContact O-CA 3.31Å; N307-D310 PolarHBondContact O-N 2.87Å; N307-N313 VanDerWaalsContact OD1-CA 3.24Å; N307-N313 WeakPolarHBondContact OD1-CA 2.99Å; N307-N313 PolarHBondContact OD1-N 3.32Å; N307-N314 PolarHBondContact N-O 2.8Å; N307-N314 PolarHBondContact N-OD1 3.38Å; N307-C333 HydrophobicContact CB-CB 3.73Å
308	Y	91.4	Very high	95	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-51	138.9	-174.4	176.9	-130.6	0	0	0	111.1	H89 R119 A280 F303 A305 P306 D310 V311 Y312 N314	H89-Y308 HydrophobicContact CB-CD2 4.36Å; H89-Y308 HydrophobicContact CB-CE2 3.79Å; H89-Y308 AromaticContact CD2-CE2 3.43Å; H89-Y308 VanDerWaalsContact CD2-CE2 3.43Å; H89-Y308 WeakPolarHBondContact CD2-CE2 3.47Å; H89-Y308 AromaticContact CD2-CZ 3.8Å; H89-Y308 AromaticContact CG-CE2 3.71Å; R119-Y308 HydrophobicContact CB-CE2 3.93Å; R119-Y308 WeakPolarHBondContact CG-OH 3.09Å; R119-Y308 PolarHBondContact NE-OH 3.04Å; A280-Y308 HydrophobicContact CB-CD1 4.39Å; F303-Y308 HydrophobicContact CE1-CD1 4.35Å; F303-Y308 HydrophobicContact CE1-CD2 4.48Å; F303-Y308 HydrophobicContact CE1-CG 4.03Å; F303-Y308 HydrophobicContact CZ-CD1 4Å; F303-Y308 HydrophobicContact CZ-CD2 4.18Å; F303-Y308 HydrophobicContact CZ-CE1 4.34Å; F303-Y308 AromaticContact CZ-CG 3.92Å; F303-Y308 HydrophobicContact CZ-CG 3.92Å; A305-Y308 HydrophobicContact CB-CD2 4.34Å; P306-Y308 PolarHBondContact O-N 3.07Å; Y308-D310 PolarHBondContact O-N 3.1Å; Y308-D310 VanDerWaalsContact O-N 3.1Å; Y308-V311 PolarHBondContact O-N 3.35Å; Y308-Y312 HydrophobicContact CD1-CD1 4.32Å; Y308-Y312 AromaticContact CD1-CD2 3.79Å; Y308-Y312 HydrophobicContact CD1-CD2 3.79Å; Y308-Y312 HydrophobicContact CD1-CE1 4.19Å; Y308-Y312 AromaticContact CD1-CE2 3.64Å; Y308-Y312 HydrophobicContact CD1-CE2 3.64Å; Y308-Y312 HydrophobicContact CD1-CG 4.11Å; Y308-Y312 AromaticContact CD1-CZ 3.82Å; Y308-Y312 HydrophobicContact CE1-CE2 4.08Å; Y308-Y312 HydrophobicContact CG-CD2 4.34Å; Y308-Y312 WeakPolarHBondContact O-CB 3.25Å; Y308-Y312 WeakPolarHBondContact O-CD2 3.45Å; Y308-Y312 PolarHBondContact O-N 2.99Å; Y308-N314 PolarHBondContact N-OD1 2.83Å
309	L	85.9	Confident	95.1	Very high	39 Å²	39	18.7 Å²	18.7	20%	0.204	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	54.3	22	-172.8	-52	179	0	0	0	115.1	R119 N307 V311 Y312 D462	R119-L309 HydrophobicContact CB-CD2 3.76Å; R119-L309 VanDerWaalsContact O-CD2 3.24Å; R119-L309 WeakPolarHBondContact O-CD2 3.39Å; N307-L309 PolarHBondContact O-N 3.37Å; L309-V311 HydrophobicContact CB-CG2 3.98Å; L309-V311 PolarHBondContact O-N 3.08Å; L309-Y312 HydrophobicContact CB-CD2 4.41Å; L309-Y312 HydrophobicContact CD1-CD2 4.34Å; L309-Y312 HydrophobicContact CD1-CE2 3.75Å; L309-Y312 HydrophobicContact CG-CD2 4.46Å; L309-Y312 HydrophobicContact CG-CE2 4.26Å; L309-D462 WeakPolarHBondContact CD1-OD2 3.41Å
310	D	88.1	Confident	95.1	Very high	71 Å²	71	20.8 Å²	20.8	38%	0.38	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	60.6	8.7	-173.4	-63.7	-40.1	0	0	0	116.2	N307 Y308 H336	N307-D310 VanDerWaalsContact ND2-CA 3.33Å; N307-D310 WeakPolarHBondContact ND2-CA 3.47Å; N307-D310 PolarHBondContact ND2-O 3.08Å; N307-D310 VanDerWaalsContact O-CA 3.25Å; N307-D310 WeakPolarHBondContact O-CA 3.31Å; N307-D310 PolarHBondContact O-N 2.87Å; Y308-D310 PolarHBondContact O-N 3.1Å; Y308-D310 VanDerWaalsContact O-N 3.1Å; D310-H336 IonicContact OD1-CE1 3.4Å; D310-H336 IonicContact OD1-NE2 3.72Å; D310-H336 PolarHBondContact OD1-NE2 2.79Å; D310-H336 VanDerWaalsContact OD1-NE2 3.08Å; D310-H336 IonicContact OD2-CE1 3.8Å; D310-H336 PolarHBondContact OD2-CE1 3.1Å; D310-H336 IonicContact OD2-NE2 3.59Å; D310-H336 PolarHBondContact OD2-NE2 3.16Å
311	V	83.1	Confident	95	Very high	54 Å²	54	20.9 Å²	20.9	33%	0.327	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-21	-173.6	-62.1	0	0	0	0	114.6	Y308 L309 N313 I452 A458	Y308-V311 PolarHBondContact O-N 3.35Å; L309-V311 HydrophobicContact CB-CG2 3.98Å; L309-V311 PolarHBondContact O-N 3.08Å; V311-N313 VanDerWaalsContact C-N 3.29Å; V311-N313 PolarHBondContact O-N 2.97Å; V311-I452 HydrophobicContact CB-CB 4.45Å; V311-I452 HydrophobicContact CB-CD1 3.97Å; V311-I452 HydrophobicContact CB-CG2 4.46Å; V311-I452 HydrophobicContact CG1-CD1 4.31Å; V311-I452 HydrophobicContact CG2-CD1 4.02Å; V311-A458 HydrophobicContact CG2-CB 4.35Å
312	Y	86.7	Confident	94.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	13%	0.128	C	C	.	.	S	Bend	trans	-70.2	-23.8	-175.7	-88.2	-112.8	0	0	0	113.9	A280 Y308 L309 N314 F455 A458 K459 D462	A280-Y312 HydrophobicContact CB-CD1 4.37Å; A280-Y312 HydrophobicContact CB-CE1 4.09Å; Y308-Y312 HydrophobicContact CD1-CD1 4.32Å; Y308-Y312 AromaticContact CD1-CD2 3.79Å; Y308-Y312 HydrophobicContact CD1-CD2 3.79Å; Y308-Y312 HydrophobicContact CD1-CE1 4.19Å; Y308-Y312 AromaticContact CD1-CE2 3.64Å; Y308-Y312 HydrophobicContact CD1-CE2 3.64Å; Y308-Y312 HydrophobicContact CD1-CG 4.11Å; Y308-Y312 AromaticContact CD1-CZ 3.82Å; Y308-Y312 HydrophobicContact CE1-CE2 4.08Å; Y308-Y312 HydrophobicContact CG-CD2 4.34Å; Y308-Y312 WeakPolarHBondContact O-CB 3.25Å; Y308-Y312 WeakPolarHBondContact O-CD2 3.45Å; Y308-Y312 PolarHBondContact O-N 2.99Å; L309-Y312 HydrophobicContact CB-CD2 4.41Å; L309-Y312 HydrophobicContact CD1-CD2 4.34Å; L309-Y312 HydrophobicContact CD1-CE2 3.75Å; L309-Y312 HydrophobicContact CG-CD2 4.46Å; L309-Y312 HydrophobicContact CG-CE2 4.26Å; Y312-N314 VanDerWaalsContact CB-OD1 3.28Å; Y312-N314 WeakPolarHBondContact CB-OD1 3.43Å; Y312-N314 PolarHBondContact O-N 3.47Å; Y312-F455 AromaticContact CD1-CD2 3.71Å; Y312-F455 HydrophobicContact CD1-CD2 3.71Å; Y312-F455 AromaticContact CD1-CE2 3.56Å; Y312-F455 HydrophobicContact CD1-CE2 3.56Å; Y312-F455 HydrophobicContact CD1-CZ 4.38Å; Y312-F455 HydrophobicContact CE1-CE2 4.17Å; Y312-F455 WeakPolarHBondContact O-CA 3.35Å; Y312-A458 HydrophobicContact CD1-CB 3.96Å; Y312-A458 HydrophobicContact CD2-CB 3.59Å; Y312-A458 HydrophobicContact CE1-CB 4.31Å; Y312-A458 HydrophobicContact CE2-CB 3.98Å; Y312-A458 HydrophobicContact CG-CB 3.62Å; Y312-K459 HydrophobicContact CE1-CB 3.93Å; Y312-D462 HydrophobicContact CE2-CB 4.07Å; Y312-D462 WeakPolarHBondContact OH-CB 3.49Å; Y312-D462 PolarHBondContact OH-OD2 3.45Å
313	N	91.5	Very high	94.6	Very high	114 Å²	114	31.8 Å²	31.8	61%	0.61	16%	0.163	S	C	*	.			trans	53.8	17.6	-177.7	-162.9	37.2	0	0	0	114.6	N307 V311	N307-N313 VanDerWaalsContact OD1-CA 3.24Å; N307-N313 WeakPolarHBondContact OD1-CA 2.99Å; N307-N313 PolarHBondContact OD1-N 3.32Å; V311-N313 VanDerWaalsContact C-N 3.29Å; V311-N313 PolarHBondContact O-N 2.97Å
314	N	96.2	Very high	94.2	Very high	5 Å²	5	36 Å²	36	3%	0.027	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-74.2	162.4	176.1	67.2	-64.6	0	0	0	111.4	D282 A305 N307 Y308 Y312 F455	D282-N314 WeakPolarHBondContact O-CA 3.12Å; D282-N314 WeakPolarHBondContact O-CB 3.27Å; A305-N314 PolarHBondContact O-ND2 3.43Å; N307-N314 PolarHBondContact N-O 2.8Å; N307-N314 PolarHBondContact N-OD1 3.38Å; Y308-N314 PolarHBondContact N-OD1 2.83Å; Y312-N314 VanDerWaalsContact CB-OD1 3.28Å; Y312-N314 WeakPolarHBondContact CB-OD1 3.43Å; Y312-N314 PolarHBondContact O-N 3.47Å; N314-F455 HydrophobicContact CB-CD2 3.74Å; N314-F455 HydrophobicContact CB-CE2 3.9Å
315	K	98	Very high	93.9	Very high	73 Å²	73	37.9 Å²	37.9	32%	0.317	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-85.1	157.4	163.6	-63	-174.1	177.9	179	0	110.5	D282 G284	D282-K315 PolarHBondContact O-N 3.35Å; G284-K315 WeakPolarHBondContact CA-O 3.37Å; G284-K315 PolarHBondContact N-O 2.7Å; G284-K315 VanDerWaalsContact N-O 3.07Å
316	A	98.6	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	157.5	163.1	0	0	0	0	0	110.8	F303 S304 P306 Q330 F331	F303-A316 WeakPolarHBondContact O-CA 3.45Å; S304-A316 VanDerWaalsContact C-CB 3.45Å; S304-A316 VanDerWaalsContact O-CB 3.3Å; S304-A316 WeakPolarHBondContact O-CB 3.32Å; P306-A316 HydrophobicContact CB-CB 3.68Å; P306-A316 HydrophobicContact CG-CB 3.96Å; A316-Q330 CarbonylContact O-C 3.19Å; A316-Q330 WeakPolarHBondContact O-CA 3.37Å; A316-F331 HydrophobicContact CB-CD1 4Å; A316-F331 HydrophobicContact CB-CD2 3.98Å; A316-F331 HydrophobicContact CB-CE1 3.55Å; A316-F331 HydrophobicContact CB-CE2 3.55Å; A316-F331 HydrophobicContact CB-CG 4.19Å; A316-F331 HydrophobicContact CB-CZ 3.31Å; A316-F331 PolarHBondContact N-O 3.21Å; A316-F331 PolarHBondContact O-N 2.93Å
317	A	98.7	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.6	171	0	0	0	0	0	113	G284 Y285 I302 F303 S304 I328 R329 Q330	G284-A317 WeakPolarHBondContact O-CB 3.28Å; Y285-A317 HydrophobicContact CD1-CB 3.98Å; I302-A317 VanDerWaalsContact CG2-O 3.3Å; I302-A317 WeakPolarHBondContact CG2-O 3.16Å; F303-A317 PolarHBondContact O-N 2.74Å; S304-A317 PolarHBondContact OG-O 2.79Å; A317-I328 HydrophobicContact CB-CG2 3.8Å; A317-R329 CarbonylContact C-O 3.58Å; A317-R329 VanDerWaalsContact CA-O 3.25Å; A317-R329 WeakPolarHBondContact CA-O 3.28Å; A317-Q330 HydrophobicContact CB-CG 4.14Å
318	I	98.7	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.7	166.2	56.1	176	0	0	0	109.5	T83 I84 C85 L98 V101 I328 R329 F331	T83-I318 HydrophobicContact CG2-CB 4.13Å; T83-I318 HydrophobicContact CG2-CD1 3.92Å; T83-I318 HydrophobicContact CG2-CG1 4.4Å; I84-I318 WeakPolarHBondContact O-CA 3.16Å; C85-I318 HydrophobicContact CB-CG2 4.42Å; L98-I318 HydrophobicContact CD1-CG2 3.78Å; L98-I318 HydrophobicContact CG-CG2 3.82Å; V101-I318 HydrophobicContact CG1-CD1 4.11Å; I318-I328 WeakPolarHBondContact O-CA 3.25Å; I318-R329 HydrophobicContact CD1-CB 4.39Å; I318-R329 HydrophobicContact CG1-CB 3.93Å; I318-R329 PolarHBondContact N-O 3.45Å; I318-R329 PolarHBondContact O-N 2.88Å; I318-F331 HydrophobicContact CG2-CE1 4.31Å
319	L	98.5	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.1	178	-172.1	160.6	0	0	0	110.1	T83 I84 I275 M287 I300 I302 M326	T83-L319 CarbonylContact C-O 3.57Å; T83-L319 WeakPolarHBondContact CA-O 3.24Å; I84-L319 HydrophobicContact CB-CB 4.35Å; I84-L319 HydrophobicContact CD1-CD2 4.13Å; I84-L319 PolarHBondContact N-O 3.36Å; I84-L319 PolarHBondContact O-N 2.79Å; I275-L319 HydrophobicContact CD1-CD1 4.42Å; M287-L319 HydrophobicContact CE-CD1 4.4Å; I300-L319 HydrophobicContact CD1-CD1 4.35Å; I300-L319 HydrophobicContact CG2-CD1 4.17Å; I302-L319 HydrophobicContact CD1-CB 3.97Å; I302-L319 HydrophobicContact CD1-CD1 4.16Å; I302-L319 HydrophobicContact CG1-CB 4.25Å; L319-M326 HydrophobicContact CD1-CE 4.49Å; L319-M326 HydrophobicContact CD1-SD 3.96Å; L319-M326 HydrophobicContact CD2-CB 4.24Å; L319-M326 HydrophobicContact CD2-CG 4.06Å; L319-M326 HydrophobicContact CD2-SD 4.08Å
320	K	98.2	Very high	94.8	Very high	44 Å²	44	40.7 Å²	40.7	19%	0.191	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.2	171.5	-58	-165.8	66.6	161.9	0	109.9	T83 G102 M326 N327	T83-K320 HydrophobicContact CG2-CG 4.06Å; G102-K320 PolarHBondContact O-NZ 3.22Å; K320-M326 CarbonylContact O-C 3.53Å; K320-M326 WeakPolarHBondContact O-CA 3.31Å; K320-N327 HydrophobicContact CB-CB 4.32Å; K320-N327 PolarHBondContact N-O 3.08Å; K320-N327 PolarHBondContact O-N 3.4Å
321	Y	97.8	Very high	95.3	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.8	176.2	177.7	-126.5	0	0	0	110.4	A80 P81 I82 I188 N189 Q191 F192 N324 V325 M326	A80-Y321 HydrophobicContact CB-CD1 3.74Å; A80-Y321 HydrophobicContact CB-CE1 3.79Å; P81-Y321 VanDerWaalsContact CA-O 3.29Å; P81-Y321 WeakPolarHBondContact CA-O 3.47Å; I82-Y321 HydrophobicContact CG2-CD1 4.37Å; I82-Y321 PolarHBondContact N-O 3.36Å; I82-Y321 PolarHBondContact O-N 3.39Å; I188-Y321 HydrophobicContact CG2-CD1 4.08Å; I188-Y321 HydrophobicContact CG2-CE1 4.24Å; N189-Y321 HydrophobicContact CB-CE1 4.43Å; N189-Y321 VanDerWaalsContact ND2-CE1 3.26Å; N189-Y321 WeakPolarHBondContact ND2-CE1 3.4Å; N189-Y321 PolarHBondContact ND2-OH 2.7Å; Q191-Y321 PolarHBondContact OE1-OH 2.94Å; F192-Y321 HydrophobicContact CD2-CE1 4.13Å; F192-Y321 HydrophobicContact CE2-CD1 4.23Å; F192-Y321 AromaticContact CE2-CE1 3.6Å; F192-Y321 HydrophobicContact CE2-CE1 3.6Å; F192-Y321 HydrophobicContact CE2-CE2 4.14Å; F192-Y321 AromaticContact CE2-CZ 3.58Å; F192-Y321 HydrophobicContact CZ-CE2 4.37Å; Y321-N324 PolarHBondContact OH-OD1 3.43Å; Y321-V325 WeakPolarHBondContact CA-O 3.49Å; Y321-V325 WeakPolarHBondContact CD2-O 3.41Å; Y321-M326 HydrophobicContact CD2-CG 3.61Å; Y321-M326 HydrophobicContact CE2-CG 4.3Å; Y321-M326 HydrophobicContact CG-CG 4.3Å
322	E	95.5	Very high	96	Very high	94 Å²	94	38 Å²	38	44%	0.439	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	146.7	-177.1	176.3	171.7	-155.8	0	0	109.3	P81 N324 V325	P81-E322 HydrophobicContact CB-CB 3.88Å; P81-E322 HydrophobicContact CB-CG 3.83Å; E322-N324 PolarHBondContact O-N 2.87Å; E322-N324 VanDerWaalsContact O-N 3.14Å; E322-V325 PolarHBondContact N-O 3.32Å; E322-V325 VanDerWaalsContact N-O 3.08Å; E322-V325 WeakPolarHBondContact O-CA 3.04Å; E322-V325 WeakPolarHBondContact O-CB 3.45Å; E322-V325 PolarHBondContact O-N 2.83Å; E322-V325 VanDerWaalsContact O-O 3.07Å
323	N	92.6	Very high	96.4	Very high	134 Å²	134	40.6 Å²	40.6	72%	0.717	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.5	176.8	-61.3	-36.2	0	0	0	114.2	V325	N323-V325 PolarHBondContact O-N 2.93Å
324	N	90.6	Very high	96.7	Very high	91 Å²	91	36.3 Å²	36.3	49%	0.487	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	34.1	-172.3	-60.2	-53.2	0	0	0	113.1	Y321 E322 P636	Y321-N324 PolarHBondContact OH-OD1 3.43Å; E322-N324 PolarHBondContact O-N 2.87Å; E322-N324 VanDerWaalsContact O-N 3.14Å; N324-P636 WeakPolarHBondContact O-CD 3.34Å
325	V	93.4	Very high	96.6	Very high	43 Å²	43	42 Å²	42	26%	0.261	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.9	176.7	176.1	0	0	0	0	108	Y321 E322 N323 T633 T635	Y321-V325 WeakPolarHBondContact CA-O 3.49Å; Y321-V325 WeakPolarHBondContact CD2-O 3.41Å; E322-V325 PolarHBondContact N-O 3.32Å; E322-V325 VanDerWaalsContact N-O 3.08Å; E322-V325 WeakPolarHBondContact O-CA 3.04Å; E322-V325 WeakPolarHBondContact O-CB 3.45Å; E322-V325 PolarHBondContact O-N 2.83Å; E322-V325 VanDerWaalsContact O-O 3.07Å; N323-V325 PolarHBondContact O-N 2.93Å; V325-T633 HydrophobicContact CG1-CG2 3.3Å; V325-T635 HydrophobicContact CG2-CG2 4.44Å
326	M	94.4	Very high	96.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.7	170.9	-66.5	-167.9	-40.8	0	0	109.7	F192 M287 F296 I300 L319 K320 Y321 T633 I634	F192-M326 HydrophobicContact CE1-SD 4.12Å; F192-M326 HydrophobicContact CZ-SD 4.36Å; M287-M326 HydrophobicContact CE-CE 4.25Å; F296-M326 HydrophobicContact CE1-CE 3.86Å; F296-M326 HydrophobicContact CE1-SD 4.43Å; F296-M326 HydrophobicContact CE2-CE 3.81Å; F296-M326 HydrophobicContact CZ-CE 3.09Å; F296-M326 HydrophobicContact CZ-SD 3.71Å; I300-M326 HydrophobicContact CD1-CE 3.52Å; I300-M326 HydrophobicContact CD1-SD 4.03Å; L319-M326 HydrophobicContact CD1-CE 4.49Å; L319-M326 HydrophobicContact CD1-SD 3.96Å; L319-M326 HydrophobicContact CD2-CB 4.24Å; L319-M326 HydrophobicContact CD2-CG 4.06Å; L319-M326 HydrophobicContact CD2-SD 4.08Å; K320-M326 CarbonylContact O-C 3.53Å; K320-M326 WeakPolarHBondContact O-CA 3.31Å; Y321-M326 HydrophobicContact CD2-CG 3.61Å; Y321-M326 HydrophobicContact CE2-CG 4.3Å; Y321-M326 HydrophobicContact CG-CG 4.3Å; M326-T633 WeakPolarHBondContact O-CA 3.31Å; M326-I634 HydrophobicContact CE-CB 4.45Å; M326-I634 HydrophobicContact CE-CG2 4.48Å; M326-I634 PolarHBondContact N-O 2.86Å; M326-I634 PolarHBondContact O-N 2.76Å
327	N	96.1	Very high	96	Very high	28 Å²	28	42.6 Å²	42.6	15%	0.15	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.3	-178.6	-167.2	-91.6	0	0	0	109.7	K320 I631 R632 T633	K320-N327 HydrophobicContact CB-CB 4.32Å; K320-N327 PolarHBondContact N-O 3.08Å; K320-N327 PolarHBondContact O-N 3.4Å; N327-I631 WeakPolarHBondContact ND2-CG2 3.4Å; N327-I631 WeakPolarHBondContact OD1-CG2 3.2Å; N327-R632 VanDerWaalsContact CA-O 3.27Å; N327-R632 WeakPolarHBondContact CA-O 3.47Å; N327-T633 PolarHBondContact ND2-OG1 3.28Å
328	I	97.8	Very high	95.4	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.2	174.7	-62.6	164.5	0	0	0	109	Y285 M287 A317 I318 Q330 R632	Y285-I328 HydrophobicContact CD1-CD1 4.17Å; Y285-I328 HydrophobicContact CD1-CG2 3.7Å; Y285-I328 HydrophobicContact CD2-CD1 3.31Å; Y285-I328 HydrophobicContact CE1-CD1 4.29Å; Y285-I328 HydrophobicContact CE1-CG2 3.94Å; Y285-I328 HydrophobicContact CE2-CD1 3.45Å; Y285-I328 VanDerWaalsContact CE2-CD1 3.45Å; Y285-I328 HydrophobicContact CG-CD1 3.69Å; Y285-I328 HydrophobicContact CG-CG2 4.11Å; M287-I328 HydrophobicContact CE-CD1 3.28Å; M287-I328 HydrophobicContact CE-CG1 4.09Å; A317-I328 HydrophobicContact CB-CG2 3.8Å; I318-I328 WeakPolarHBondContact O-CA 3.25Å; I328-Q330 HydrophobicContact CG2-CG 4.3Å; I328-R632 PolarHBondContact N-O 3.24Å; I328-R632 PolarHBondContact O-N 3.18Å
329	R	97.9	Very high	94.8	Very high	75 Å²	75	53.7 Å²	53.7	28%	0.283	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.9	169.9	-63.4	-170.3	171.1	-163.8	-6	109.6	V101 A317 I318 T629	V101-R329 HydrophobicContact CG1-CB 3.83Å; V101-R329 WeakPolarHBondContact O-CD 3.47Å; V101-R329 PolarHBondContact O-NH1 2.82Å; A317-R329 CarbonylContact C-O 3.58Å; A317-R329 VanDerWaalsContact CA-O 3.25Å; A317-R329 WeakPolarHBondContact CA-O 3.28Å; I318-R329 HydrophobicContact CD1-CB 4.39Å; I318-R329 HydrophobicContact CG1-CB 3.93Å; I318-R329 PolarHBondContact N-O 3.45Å; I318-R329 PolarHBondContact O-N 2.88Å; R329-T629 HydrophobicContact CB-CG2 4.16Å; R329-T629 HydrophobicContact CG-CG2 4.46Å
330	Q	98.1	Very high	94.1	Very high	18 Å²	18	55.2 Å²	55.2	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.7	177.4	-61.1	174.8	-91.7	0	0	111.5	A283 Y285 A316 A317 I328	A283-Q330 PolarHBondContact O-NE2 3.17Å; Y285-Q330 HydrophobicContact CD1-CG 4.36Å; Y285-Q330 HydrophobicContact CE1-CG 4.11Å; A316-Q330 CarbonylContact O-C 3.19Å; A316-Q330 WeakPolarHBondContact O-CA 3.37Å; A317-Q330 HydrophobicContact CB-CG 4.14Å; I328-Q330 HydrophobicContact CG2-CG 4.3Å
331	F	98.4	Very high	93.1	Very high	10 Å²	10	53.7 Å²	53.7	4%	0.044	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.3	174	61.7	-81.7	0	0	0	111.7	K97 L98 V101 S304 P306 A316 I318	K97-F331 HydrophobicContact CB-CD2 4.42Å; K97-F331 HydrophobicContact CG-CD2 3.96Å; L98-F331 HydrophobicContact CB-CE1 4.38Å; L98-F331 HydrophobicContact CB-CE2 4.45Å; L98-F331 HydrophobicContact CB-CZ 3.86Å; L98-F331 HydrophobicContact CD1-CZ 4.31Å; L98-F331 HydrophobicContact CG-CZ 4.34Å; V101-F331 HydrophobicContact CG1-CD1 4.33Å; V101-F331 HydrophobicContact CG2-CB 3.92Å; V101-F331 HydrophobicContact CG2-CD1 4.47Å; V101-F331 HydrophobicContact CG2-CG 4.26Å; S304-F331 WeakPolarHBondContact O-CZ 3.42Å; P306-F331 HydrophobicContact CG-CD2 4.31Å; P306-F331 HydrophobicContact CG-CE2 4.03Å; A316-F331 HydrophobicContact CB-CD1 4Å; A316-F331 HydrophobicContact CB-CD2 3.98Å; A316-F331 HydrophobicContact CB-CE1 3.55Å; A316-F331 HydrophobicContact CB-CE2 3.55Å; A316-F331 HydrophobicContact CB-CG 4.19Å; A316-F331 HydrophobicContact CB-CZ 3.31Å; A316-F331 PolarHBondContact N-O 3.21Å; A316-F331 PolarHBondContact O-N 2.93Å; I318-F331 HydrophobicContact CG2-CE1 4.31Å
332	N	97.6	Very high	92.1	Very high	58 Å²	58	56.2 Å²	56.2	31%	0.31	29%	0.289	S	S	.	.			trans	-100.4	169.3	178.5	-60.7	-36.9	0	0	0	110.1	N627	N332-N627 PolarHBondContact ND2-OD1 3.49Å
333	C	96.5	Very high	91.5	Very high	58 Å²	58	52.1 Å²	52.1	39%	0.392	27%	0.27	S	S	.	.			trans	-64.8	154.2	178.3	62.5	0	0	0	0	113	D94 P306 N307	D94-C333 VanDerWaalsContact OD1-CA 3.27Å; D94-C333 WeakPolarHBondContact OD1-CA 3.35Å; P306-C333 HydrophobicContact CB-CB 4.08Å; P306-C333 HydrophobicContact CG-CB 3.91Å; N307-C333 HydrophobicContact CB-CB 3.73Å
334	S	96.2	Very high	91	Very high	23 Å²	23	47.7 Å²	47.7	16%	0.161	25%	0.245	C	C	.	.			trans	-104.6	144.5	176.5	-52.3	0	0	0	0	108.9	D94 K97 H336	D94-S334 WeakPolarHBondContact OD1-CB 3.31Å; D94-S334 PolarHBondContact OD1-N 2.76Å; D94-S334 PolarHBondContact OD1-OG 3.18Å; K97-S334 WeakPolarHBondContact CB-OG 3.46Å; S334-H336 PolarHBondContact O-N 2.94Å
335	P	94	Very high	90.8	Very high	125 Å²	125	46.2 Å²	46.2	81%	0.812	24%	0.237	S	C	*	.			trans	-62.7	137.5	172.6	28.2	-33.8	0	0	0	109.6
336	H	93.1	Very high	90.5	Very high	54 Å²	54	48.2 Å²	48.2	25%	0.25	25%	0.25	C	C	.	.			trans	-133.4	160.8	173.9	61.7	83.4	0	0	0	110.5	Y93 F122 D310 S334	Y93-H336 HydrophobicContact CD1-CB 4.3Å; Y93-H336 HydrophobicContact CD2-CB 3.3Å; Y93-H336 HydrophobicContact CE2-CB 3.74Å; Y93-H336 HydrophobicContact CG-CB 3.64Å; F122-H336 HydrophobicContact CE2-CB 4.02Å; F122-H336 AromaticContact CE2-CG 3.98Å; F122-H336 AromaticContact CE2-ND1 3.65Å; F122-H336 HydrophobicContact CZ-CB 4.36Å; D310-H336 IonicContact OD1-CE1 3.4Å; D310-H336 IonicContact OD1-NE2 3.72Å; D310-H336 PolarHBondContact OD1-NE2 2.79Å; D310-H336 VanDerWaalsContact OD1-NE2 3.08Å; D310-H336 IonicContact OD2-CE1 3.8Å; D310-H336 PolarHBondContact OD2-CE1 3.1Å; D310-H336 IonicContact OD2-NE2 3.59Å; D310-H336 PolarHBondContact OD2-NE2 3.16Å; S334-H336 PolarHBondContact O-N 2.94Å
337	P	91.4	Very high	90.3	Very high	31 Å²	31	55.9 Å²	55.9	20%	0.201	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-56.6	139.6	171.3	-24.6	35.5	0	0	0	111.5	E50 Y93 F122	E50-P337 VanDerWaalsContact CD-CB 3.44Å; E50-P337 HydrophobicContact CG-CB 4.21Å; E50-P337 HydrophobicContact CG-CG 3.61Å; E50-P337 WeakPolarHBondContact OE1-CB 3.29Å; E50-P337 WeakPolarHBondContact OE2-CG 3.2Å; Y93-P337 HydrophobicContact CE2-CG 4.44Å; Y93-P337 WeakPolarHBondContact OH-CD 3.42Å; Y93-P337 VanDerWaalsContact OH-CG 3.31Å; Y93-P337 WeakPolarHBondContact OH-CG 3.16Å; F122-P337 HydrophobicContact CZ-CB 4.32Å; F122-P337 WeakPolarHBondContact CZ-O 3.43Å
338	Y	87.2	Confident	89.8	Confident	163 Å²	163	57.9 Å²	57.9	64%	0.639	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-84	124.7	177.7	178.8	-99.3	0	0	0	110.2	L340	Y338-L340 HydrophobicContact CE1-CD2 4.04Å; Y338-L340 HydrophobicContact CE1-CG 4.48Å
339	W	86.3	Confident	89.1	Confident	70 Å²	70	63.6 Å²	63.6	27%	0.265	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-102.6	138	170.8	-80.3	80.3	0	0	0	110	Y121 F122 F343	Y121-W339 HydrophobicContact CD1-CB 3.6Å; Y121-W339 HydrophobicContact CD1-CG 4.28Å; Y121-W339 HydrophobicContact CD2-CB 4.21Å; Y121-W339 HydrophobicContact CE1-CB 4.02Å; Y121-W339 HydrophobicContact CG-CB 3.71Å; Y121-W339 HydrophobicContact CG-CG 4.23Å; F122-W339 AromaticContact CE1-CD1 3.77Å; F122-W339 AromaticContact CE1-NE1 3.44Å; F122-W339 AromaticContact CZ-CD1 3.56Å; F122-W339 AromaticContact CZ-NE1 3.73Å; W339-F343 HydrophobicContact CD2-CD1 4.26Å; W339-F343 HydrophobicContact CD2-CE1 4.45Å; W339-F343 AromaticContact CE3-CD1 3.58Å; W339-F343 HydrophobicContact CE3-CD1 3.58Å; W339-F343 HydrophobicContact CE3-CE1 4.2Å; W339-F343 AromaticContact CZ3-CD1 3.76Å; W339-F343 HydrophobicContact CZ3-CD1 3.76Å
340	L	82.4	Confident	88.6	Confident	32 Å²	32	61.5 Å²	61.5	17%	0.168	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.1	142.6	169.3	-73.4	167.4	0	0	0	109.2	Y338 F343 M344 W349	Y338-L340 HydrophobicContact CE1-CD2 4.04Å; Y338-L340 HydrophobicContact CE1-CG 4.48Å; L340-F343 PolarHBondContact O-N 3.09Å; L340-M344 HydrophobicContact CB-CB 4.18Å; L340-M344 VanDerWaalsContact CB-O 3.31Å; L340-M344 WeakPolarHBondContact CB-O 3.24Å; L340-M344 VanDerWaalsContact CD1-O 3.31Å; L340-M344 WeakPolarHBondContact CD1-O 3.41Å; L340-W349 HydrophobicContact CD1-CB 3.8Å; L340-W349 HydrophobicContact CD1-CG 4.01Å; L340-W349 HydrophobicContact CD2-CD2 4.33Å; L340-W349 HydrophobicContact CD2-CG 3.92Å
341	P	77.1	Confident	88.1	Confident	13 Å²	13	65.4 Å²	65.4	8%	0.084	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-51.3	142.4	-179.2	-33.8	40.1	0	0	0	113.8	F343 M344 L417	P341-F343 PolarHBondContact O-N 2.6Å; P341-M344 VanDerWaalsContact O-CB 3.26Å; P341-M344 WeakPolarHBondContact O-CB 3.23Å; P341-M344 PolarHBondContact O-N 3.42Å; P341-M344 VanDerWaalsContact O-N 3.14Å; P341-L417 HydrophobicContact CB-CD1 4.3Å; P341-L417 HydrophobicContact CG-CD1 3.83Å; P341-L417 HydrophobicContact CG-CD2 4.49Å; P341-L417 HydrophobicContact CG-CG 3.8Å
342	N	76.4	Confident	87.4	Confident	56 Å²	56	66.2 Å²	66.2	30%	0.299	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	54.7	32.3	-178.7	-56.4	-42.4	0	0	0	113.6	M344 K420 G426	N342-M344 PolarHBondContact O-N 2.84Å; N342-K420 PolarHBondContact ND2-O 3.06Å; N342-G426 VanDerWaalsContact ND2-CA 3.33Å; N342-G426 WeakPolarHBondContact ND2-CA 3.33Å
343	F	84	Confident	86.8	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.035	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	55.4	30.6	-178.2	-56.6	-83.9	0	0	0	113.3	Y121 Q161 E162 M165 W339 L340 P341 D345	Y121-F343 HydrophobicContact CD1-CD1 4.49Å; Y121-F343 AromaticContact CD1-CE1 3.96Å; Y121-F343 HydrophobicContact CD1-CE1 3.96Å; Y121-F343 HydrophobicContact CD1-CE2 4.48Å; Y121-F343 AromaticContact CD1-CZ 3.94Å; Y121-F343 HydrophobicContact CD1-CZ 3.94Å; Q161-F343 HydrophobicContact CG-CD2 4.1Å; E162-F343 HydrophobicContact CB-CE1 4.29Å; E162-F343 HydrophobicContact CB-CE2 3.65Å; E162-F343 HydrophobicContact CB-CZ 3.42Å; E162-F343 VanDerWaalsContact CB-CZ 3.42Å; E162-F343 HydrophobicContact CG-CE1 3.93Å; E162-F343 HydrophobicContact CG-CE2 4.2Å; E162-F343 HydrophobicContact CG-CZ 3.44Å; E162-F343 VanDerWaalsContact CG-CZ 3.44Å; M165-F343 HydrophobicContact CB-CB 4.46Å; M165-F343 HydrophobicContact CB-CG 4.48Å; M165-F343 HydrophobicContact CE-CB 4.26Å; M165-F343 HydrophobicContact CG-CB 3.95Å; M165-F343 HydrophobicContact CG-CG 4.29Å; W339-F343 HydrophobicContact CD2-CD1 4.26Å; W339-F343 HydrophobicContact CD2-CE1 4.45Å; W339-F343 AromaticContact CE3-CD1 3.58Å; W339-F343 HydrophobicContact CE3-CD1 3.58Å; W339-F343 HydrophobicContact CE3-CE1 4.2Å; W339-F343 AromaticContact CZ3-CD1 3.76Å; W339-F343 HydrophobicContact CZ3-CD1 3.76Å; L340-F343 PolarHBondContact O-N 3.09Å; P341-F343 PolarHBondContact O-N 2.6Å; F343-D345 PolarHBondContact O-N 2.79Å
344	M	82.3	Confident	86.4	Confident	41 Å²	41	69.4 Å²	69.4	20%	0.202	35%	0.352	C	S	.	.			trans	-62.7	135	-180	-179.4	168.5	50.8	0	0	110.9	L340 P341 N342 T348 W349 L417	L340-M344 HydrophobicContact CB-CB 4.18Å; L340-M344 VanDerWaalsContact CB-O 3.31Å; L340-M344 WeakPolarHBondContact CB-O 3.24Å; L340-M344 VanDerWaalsContact CD1-O 3.31Å; L340-M344 WeakPolarHBondContact CD1-O 3.41Å; P341-M344 VanDerWaalsContact O-CB 3.26Å; P341-M344 WeakPolarHBondContact O-CB 3.23Å; P341-M344 PolarHBondContact O-N 3.42Å; P341-M344 VanDerWaalsContact O-N 3.14Å; N342-M344 PolarHBondContact O-N 2.84Å; M344-T348 HydrophobicContact CG-CG2 3.75Å; M344-T348 HydrophobicContact SD-CG2 3.76Å; M344-W349 HydrophobicContact CE-CB 3.86Å; M344-W349 HydrophobicContact CE-CG 4.12Å; M344-W349 HydrophobicContact CG-CB 4.22Å; M344-W349 HydrophobicContact SD-CB 4.08Å; M344-L417 HydrophobicContact CE-CD1 3.43Å; M344-L417 VanDerWaalsContact CE-CD1 3.43Å
345	D	86.9	Confident	86	Confident	59 Å²	59	68.7 Å²	68.7	32%	0.316	35%	0.349	S	S	.	.			trans	-79.2	162.3	175.4	70.4	83.1	0	0	0	112.1	F343 F347 T348 W349	F343-D345 PolarHBondContact O-N 2.79Å; D345-F347 VanDerWaalsContact C-N 3.25Å; D345-F347 PolarHBondContact O-N 3.33Å; D345-F347 VanDerWaalsContact OD1-CA 3.3Å; D345-F347 WeakPolarHBondContact OD1-CA 3.35Å; D345-F347 WeakPolarHBondContact OD1-CB 3.25Å; D345-F347 PolarHBondContact OD1-N 3.48Å; D345-T348 PolarHBondContact O-N 3.41Å; D345-T348 PolarHBondContact OD1-N 3.28Å; D345-T348 PolarHBondContact OD1-OG1 3.03Å; D345-T348 WeakPolarHBondContact OD2-CB 3.39Å; D345-T348 PolarHBondContact OD2-OG1 3.09Å; D345-W349 WeakPolarHBondContact O-CB 3.38Å; D345-W349 PolarHBondContact O-N 3.3Å
346	V	87	Confident	85.5	Confident	86 Å²	86	63.6 Å²	63.6	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-29.9	-177.6	68	0	0	0	0	113.3	S350	V346-S350 WeakPolarHBondContact O-CB 3.43Å; V346-S350 PolarHBondContact O-N 2.82Å; V346-S350 PolarHBondContact O-OG 2.92Å
347	F	89	Confident	85.3	Confident	161 Å²	161	65.2 Å²	65.2	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-72.7	-47.3	179.2	-55.8	-76.8	0	0	0	110	D345 W349 S350 L351	D345-F347 VanDerWaalsContact C-N 3.25Å; D345-F347 PolarHBondContact O-N 3.33Å; D345-F347 VanDerWaalsContact OD1-CA 3.3Å; D345-F347 WeakPolarHBondContact OD1-CA 3.35Å; D345-F347 WeakPolarHBondContact OD1-CB 3.25Å; D345-F347 PolarHBondContact OD1-N 3.48Å; F347-W349 VanDerWaalsContact C-N 3.33Å; F347-W349 PolarHBondContact O-N 2.92Å; F347-S350 PolarHBondContact O-N 2.83Å; F347-S350 PolarHBondContact O-OG 3.5Å; F347-S350 VanDerWaalsContact O-OG 3.07Å; F347-L351 PolarHBondContact O-N 3.32Å
348	T	85.6	Confident	85.3	Confident	70 Å²	70	67.4 Å²	67.4	43%	0.429	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-43.9	174.6	-59.9	0	0	0	0	111.3	M344 D345 L351	M344-T348 HydrophobicContact CG-CG2 3.75Å; M344-T348 HydrophobicContact SD-CG2 3.76Å; D345-T348 PolarHBondContact O-N 3.41Å; D345-T348 PolarHBondContact OD1-N 3.28Å; D345-T348 PolarHBondContact OD1-OG1 3.03Å; D345-T348 WeakPolarHBondContact OD2-CB 3.39Å; D345-T348 PolarHBondContact OD2-OG1 3.09Å; T348-L351 WeakPolarHBondContact O-CB 2.9Å; T348-L351 PolarHBondContact O-N 3.14Å
349	W	84.5	Confident	85.2	Confident	124 Å²	124	60.1 Å²	60.1	47%	0.47	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-39.9	177.4	177.1	78.7	0	0	0	113	L340 M344 D345 F347 L351 P352	L340-W349 HydrophobicContact CD1-CB 3.8Å; L340-W349 HydrophobicContact CD1-CG 4.01Å; L340-W349 HydrophobicContact CD2-CD2 4.33Å; L340-W349 HydrophobicContact CD2-CG 3.92Å; M344-W349 HydrophobicContact CE-CB 3.86Å; M344-W349 HydrophobicContact CE-CG 4.12Å; M344-W349 HydrophobicContact CG-CB 4.22Å; M344-W349 HydrophobicContact SD-CB 4.08Å; D345-W349 WeakPolarHBondContact O-CB 3.38Å; D345-W349 PolarHBondContact O-N 3.3Å; F347-W349 VanDerWaalsContact C-N 3.33Å; F347-W349 PolarHBondContact O-N 2.92Å; W349-L351 VanDerWaalsContact C-N 3.31Å; W349-L351 PolarHBondContact O-N 3.27Å; W349-P352 VanDerWaalsContact O-CD 3.31Å; W349-P352 WeakPolarHBondContact O-CD 3.11Å
350	S	87.3	Confident	85.1	Confident	31 Å²	31	61.2 Å²	61.2	22%	0.217	31%	0.314	C	S	.	.	H	α-helix	trans	-79.4	-10.9	179.7	67.4	0	0	0	0	114.1	V346 F347 F353 V354	V346-S350 WeakPolarHBondContact O-CB 3.43Å; V346-S350 PolarHBondContact O-N 2.82Å; V346-S350 PolarHBondContact O-OG 2.92Å; F347-S350 PolarHBondContact O-N 2.83Å; F347-S350 PolarHBondContact O-OG 3.5Å; F347-S350 VanDerWaalsContact O-OG 3.07Å; S350-F353 WeakPolarHBondContact O-CB 3.24Å; S350-F353 PolarHBondContact O-N 3.21Å; S350-V354 PolarHBondContact O-N 2.84Å
351	L	86	Confident	85.4	Confident	100 Å²	100	66.1 Å²	66.1	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-55.4	-40.9	-174.8	-175	64.3	0	0	0	113.8	F347 T348 W349 F353 V354 G355	F347-L351 PolarHBondContact O-N 3.32Å; T348-L351 WeakPolarHBondContact O-CB 2.9Å; T348-L351 PolarHBondContact O-N 3.14Å; W349-L351 VanDerWaalsContact C-N 3.31Å; W349-L351 PolarHBondContact O-N 3.27Å; L351-F353 VanDerWaalsContact C-N 3.31Å; L351-F353 PolarHBondContact O-N 3.01Å; L351-V354 PolarHBondContact O-N 3Å; L351-G355 PolarHBondContact O-N 2.95Å
352	P	83.9	Confident	85.8	Confident	27 Å²	27	69.4 Å²	69.4	18%	0.175	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-40.8	175	-27.7	38	0	0	0	113.9	W349 E356 L409	W349-P352 VanDerWaalsContact O-CD 3.31Å; W349-P352 WeakPolarHBondContact O-CD 3.11Å; P352-E356 PolarHBondContact O-N 3.03Å; P352-L409 HydrophobicContact CB-CB 3.84Å; P352-L409 HydrophobicContact CG-CB 4.22Å
353	F	85.6	Confident	86	Confident	113 Å²	113	69 Å²	69	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-67.3	-47.5	177.7	174.3	-93.1	0	0	0	111.1	S350 L351 G355 E356 K357	S350-F353 WeakPolarHBondContact O-CB 3.24Å; S350-F353 PolarHBondContact O-N 3.21Å; L351-F353 VanDerWaalsContact C-N 3.31Å; L351-F353 PolarHBondContact O-N 3.01Å; F353-G355 VanDerWaalsContact C-N 3.32Å; F353-G355 PolarHBondContact O-N 3.29Å; F353-E356 PolarHBondContact O-N 3.35Å; F353-K357 HydrophobicContact CE1-CG 4.21Å; F353-K357 HydrophobicContact CE2-CG 4.42Å; F353-K357 HydrophobicContact CZ-CG 4.1Å; F353-K357 WeakPolarHBondContact O-CG 3.33Å; F353-K357 PolarHBondContact O-N 2.89Å; F353-K357 VanDerWaalsContact O-N 3.13Å
354	V	88.6	Confident	85.9	Confident	70 Å²	70	73 Å²	73	42%	0.424	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-44.4	176.9	177.3	0	0	0	0	110.3	S350 L351 E356 K357 V358	S350-V354 PolarHBondContact O-N 2.84Å; L351-V354 PolarHBondContact O-N 3Å; V354-E356 PolarHBondContact O-N 3.18Å; V354-K357 PolarHBondContact O-N 3.42Å; V354-V358 HydrophobicContact CG1-CG2 4.18Å; V354-V358 WeakPolarHBondContact O-CB 3.31Å; V354-V358 VanDerWaalsContact O-CG2 3.27Å; V354-V358 WeakPolarHBondContact O-CG2 3.4Å; V354-V358 PolarHBondContact O-N 3.06Å
355	G	86.8	Confident	85.9	Confident	9 Å²	9	75 Å²	75	9%	0.093	39%	0.389	C	S	.	.	H	α-helix	trans	-58.8	-47.2	177.8	0	0	0	0	0	112.6	L351 F353 K357 V358 T359	L351-G355 PolarHBondContact O-N 2.95Å; F353-G355 VanDerWaalsContact C-N 3.32Å; F353-G355 PolarHBondContact O-N 3.29Å; G355-K357 PolarHBondContact O-N 3.49Å; G355-V358 PolarHBondContact O-N 2.93Å; G355-T359 WeakPolarHBondContact O-CG2 3.38Å; G355-T359 PolarHBondContact O-N 3.35Å; G355-T359 PolarHBondContact O-OG1 3.42Å; G355-T359 VanDerWaalsContact O-OG1 3.12Å
356	E	84.8	Confident	85.4	Confident	17 Å²	17	74.6 Å²	74.6	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-56.4	-52.3	175.2	-174.7	-167.7	-123.4	0	0	110.8	P352 F353 V354 V358 T359 E360 F406 T407 R410	P352-E356 PolarHBondContact O-N 3.03Å; F353-E356 PolarHBondContact O-N 3.35Å; V354-E356 PolarHBondContact O-N 3.18Å; E356-V358 PolarHBondContact O-N 3.29Å; E356-T359 PolarHBondContact O-N 3.16Å; E356-T359 PolarHBondContact O-OG1 3.1Å; E356-E360 WeakPolarHBondContact O-CB 3.46Å; E356-E360 PolarHBondContact O-N 3.17Å; E356-F406 HydrophobicContact CB-CB 4.14Å; E356-T407 PolarHBondContact OE1-OG1 3.28Å; E356-R410 IonicContact OE1-CZ 3.34Å; E356-R410 IonicContact OE1-NE 3.5Å; E356-R410 PolarHBondContact OE1-NE 3.46Å; E356-R410 IonicContact OE1-NH2 2.79Å; E356-R410 PolarHBondContact OE1-NH2 3.14Å; E356-R410 WeakPolarHBondContact OE2-CD 3.48Å; E356-R410 IonicContact OE2-CZ 3.58Å; E356-R410 IonicContact OE2-NE 2.76Å; E356-R410 PolarHBondContact OE2-NE 3.34Å; E356-R410 IonicContact OE2-NH2 3.31Å
357	K	88.2	Confident	84.7	Confident	89 Å²	89	75.6 Å²	75.6	39%	0.387	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-37.8	-176.8	-65.1	-67.2	143.1	-156.6	0	113.1	F353 V354 G355 E360 M361	F353-K357 HydrophobicContact CE1-CG 4.21Å; F353-K357 HydrophobicContact CE2-CG 4.42Å; F353-K357 HydrophobicContact CZ-CG 4.1Å; F353-K357 WeakPolarHBondContact O-CG 3.33Å; F353-K357 PolarHBondContact O-N 2.89Å; F353-K357 VanDerWaalsContact O-N 3.13Å; V354-K357 PolarHBondContact O-N 3.42Å; G355-K357 PolarHBondContact O-N 3.49Å; K357-E360 IonicContact NZ-OE2 3.87Å; K357-E360 PolarHBondContact NZ-OE2 3.01Å; K357-E360 PolarHBondContact O-N 3.34Å; K357-M361 WeakPolarHBondContact O-CB 3.41Å; K357-M361 PolarHBondContact O-N 3.42Å
358	V	90.6	Very high	83.9	Confident	76 Å²	76	74.3 Å²	74.3	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-44.4	174.3	171.3	0	0	0	0	110.5	V354 G355 E356 E360 M361 L362	V354-V358 HydrophobicContact CG1-CG2 4.18Å; V354-V358 WeakPolarHBondContact O-CB 3.31Å; V354-V358 VanDerWaalsContact O-CG2 3.27Å; V354-V358 WeakPolarHBondContact O-CG2 3.4Å; V354-V358 PolarHBondContact O-N 3.06Å; G355-V358 PolarHBondContact O-N 2.93Å; E356-V358 PolarHBondContact O-N 3.29Å; V358-E360 PolarHBondContact O-N 3.04Å; V358-M361 PolarHBondContact O-N 3.35Å; V358-L362 HydrophobicContact CG1-CD1 4.15Å; V358-L362 HydrophobicContact CG1-CG 4.47Å; V358-L362 WeakPolarHBondContact O-CG 3.36Å; V358-L362 PolarHBondContact O-N 2.99Å
359	T	85.2	Confident	82.8	Confident	11 Å²	11	74.4 Å²	74.4	7%	0.067	39%	0.391	C	S	.	.	H	α-helix	trans	-65.2	-38	177.2	56.8	0	0	0	0	112.6	G355 E356 L362 V363 M402 F406	G355-T359 WeakPolarHBondContact O-CG2 3.38Å; G355-T359 PolarHBondContact O-N 3.35Å; G355-T359 PolarHBondContact O-OG1 3.42Å; G355-T359 VanDerWaalsContact O-OG1 3.12Å; E356-T359 PolarHBondContact O-N 3.16Å; E356-T359 PolarHBondContact O-OG1 3.1Å; T359-L362 PolarHBondContact O-N 2.93Å; T359-V363 WeakPolarHBondContact O-CG2 3.48Å; T359-V363 PolarHBondContact O-N 3.43Å; T359-M402 HydrophobicContact CG2-CB 4.28Å; T359-F406 HydrophobicContact CG2-CD2 4.05Å; T359-F406 HydrophobicContact CG2-CE2 4.41Å
360	E	85.3	Confident	81.5	Confident	93 Å²	93	71 Å²	71	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-60	-45.9	173.9	-172.8	-178.4	170.8	0	0	111	E356 K357 V358 L362 V363 N364	E356-E360 WeakPolarHBondContact O-CB 3.46Å; E356-E360 PolarHBondContact O-N 3.17Å; K357-E360 IonicContact NZ-OE2 3.87Å; K357-E360 PolarHBondContact NZ-OE2 3.01Å; K357-E360 PolarHBondContact O-N 3.34Å; V358-E360 PolarHBondContact O-N 3.04Å; E360-L362 PolarHBondContact O-N 3.24Å; E360-V363 PolarHBondContact O-N 3.17Å; E360-N364 VanDerWaalsContact O-CG 3.29Å; E360-N364 PolarHBondContact O-N 3.14Å; E360-N364 VanDerWaalsContact O-N 3.07Å; E360-N364 PolarHBondContact O-ND2 3.02Å
361	M	87.4	Confident	80.1	Confident	135 Å²	135	75 Å²	75	67%	0.665	41%	0.405	S	S	*	.	H	α-helix	trans	-60.4	-44.9	174.2	-178.2	-179.6	-82	0	0	111.9	K357 V358 N364 V365	K357-M361 WeakPolarHBondContact O-CB 3.41Å; K357-M361 PolarHBondContact O-N 3.42Å; V358-M361 PolarHBondContact O-N 3.35Å; M361-N364 PolarHBondContact O-N 3.19Å; M361-V365 WeakPolarHBondContact O-CG2 3.44Å; M361-V365 PolarHBondContact O-N 2.92Å
362	L	85.2	Confident	78.7	Confident	81 Å²	81	76.1 Å²	76.1	42%	0.424	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-39.7	179.5	-71.3	173.4	0	0	0	112.9	V358 T359 E360 N364 V365 L366	V358-L362 HydrophobicContact CG1-CD1 4.15Å; V358-L362 HydrophobicContact CG1-CG 4.47Å; V358-L362 WeakPolarHBondContact O-CG 3.36Å; V358-L362 PolarHBondContact O-N 2.99Å; T359-L362 PolarHBondContact O-N 2.93Å; E360-L362 PolarHBondContact O-N 3.24Å; L362-N364 VanDerWaalsContact C-N 3.31Å; L362-V365 PolarHBondContact O-N 3.11Å; L362-L366 WeakPolarHBondContact O-CG 3.33Å; L362-L366 PolarHBondContact O-N 2.81Å
363	V	81.5	Confident	77.5	Confident	48 Å²	48	81 Å²	81	29%	0.291	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-44.1	174.2	170.4	0	0	0	0	110.1	T359 E360 V365 L366 N367 I399	T359-V363 WeakPolarHBondContact O-CG2 3.48Å; T359-V363 PolarHBondContact O-N 3.43Å; E360-V363 PolarHBondContact O-N 3.17Å; V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 3.38Å; V363-L366 PolarHBondContact O-N 3.4Å; V363-N367 WeakPolarHBondContact O-CB 3.28Å; V363-N367 VanDerWaalsContact O-CG 3.25Å; V363-N367 PolarHBondContact O-N 3.12Å; V363-N367 PolarHBondContact O-ND2 2.95Å; V363-I399 HydrophobicContact CG2-CG2 3.55Å
364	N	82.2	Confident	76.2	Confident	91 Å²	91	77.3 Å²	77.3	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-40.4	177.6	-70.2	-27.6	0	0	0	112	E360 M361 L362 N367 I368	E360-N364 VanDerWaalsContact O-CG 3.29Å; E360-N364 PolarHBondContact O-N 3.14Å; E360-N364 VanDerWaalsContact O-N 3.07Å; E360-N364 PolarHBondContact O-ND2 3.02Å; M361-N364 PolarHBondContact O-N 3.19Å; L362-N364 VanDerWaalsContact C-N 3.31Å; N364-N367 PolarHBondContact O-N 3.5Å; N364-I368 WeakPolarHBondContact O-CG1 3.22Å; N364-I368 PolarHBondContact O-N 3.22Å
365	V	82.2	Confident	74.8	Confident	83 Å²	83	79 Å²	79	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-64.1	-44	175.2	171.9	0	0	0	0	111.7	M361 L362 V363 N367 I368	M361-V365 WeakPolarHBondContact O-CG2 3.44Å; M361-V365 PolarHBondContact O-N 2.92Å; L362-V365 PolarHBondContact O-N 3.11Å; V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 3.38Å; V365-N367 VanDerWaalsContact C-N 3.31Å; V365-N367 PolarHBondContact O-N 3.06Å; V365-I368 WeakPolarHBondContact O-CB 3.48Å; V365-I368 PolarHBondContact O-N 2.95Å
366	L	75.7	Confident	73.1	Confident	51 Å²	51	82 Å²	82	27%	0.267	44%	0.443	S	S	.	.	H	α-helix	trans	-68.9	-28.7	179.7	-72.9	175.6	0	0	0	113.5	L362 V363 I368 C369 I396 I399	L362-L366 WeakPolarHBondContact O-CG 3.33Å; L362-L366 PolarHBondContact O-N 2.81Å; V363-L366 PolarHBondContact O-N 3.4Å; L366-I368 PolarHBondContact O-N 3.05Å; L366-C369 PolarHBondContact O-N 3.08Å; L366-I396 HydrophobicContact CD1-CG1 4.24Å; L366-I399 HydrophobicContact CD1-CD1 3.29Å
367	N	73.5	Confident	71.7	Confident	108 Å²	108	88.6 Å²	88.6	58%	0.578	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.2	174.8	-73.3	-20.3	0	0	0	113	V363 N364 V365	V363-N367 WeakPolarHBondContact O-CB 3.28Å; V363-N367 VanDerWaalsContact O-CG 3.25Å; V363-N367 PolarHBondContact O-N 3.12Å; V363-N367 PolarHBondContact O-ND2 2.95Å; N364-N367 PolarHBondContact O-N 3.5Å; V365-N367 VanDerWaalsContact C-N 3.31Å; V365-N367 PolarHBondContact O-N 3.06Å
368	I	72.5	Confident	70.1	Confident	134 Å²	134	88.9 Å²	88.9	69%	0.687	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-27.1	175.6	-66	165	0	0	0	111.4	N364 V365 L366 S370	N364-I368 WeakPolarHBondContact O-CG1 3.22Å; N364-I368 PolarHBondContact O-N 3.22Å; V365-I368 WeakPolarHBondContact O-CB 3.48Å; V365-I368 PolarHBondContact O-N 2.95Å; L366-I368 PolarHBondContact O-N 3.05Å; I368-S370 PolarHBondContact O-N 2.98Å
369	C	61.7	Low	68.3	Low	71 Å²	71	91.7 Å²	91.7	48%	0.48	51%	0.508	S	S	.	.	S	Bend	trans	-63.1	102.8	175.7	-73.1	0	0	0	0	110.2	L366	L366-C369 PolarHBondContact O-N 3.08Å
370	S	56.7	Low	67	Low	53 Å²	53	94.3 Å²	94.3	37%	0.371	52%	0.519	S	S	.	.			trans	-75	149.7	-178.1	47	0	0	0	0	112.3	I368 D372 E373	I368-S370 PolarHBondContact O-N 2.98Å; S370-D372 PolarHBondContact O-N 2.94Å; S370-E373 PolarHBondContact O-N 3Å
371	D	58.5	Low	66.1	Low	114 Å²	114	94.8 Å²	94.8	61%	0.61	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-30.2	172.7	-78.8	-38.7	0	0	0	112.2	L374 L375	D371-L374 WeakPolarHBondContact O-CB 3.31Å; D371-L374 PolarHBondContact O-N 2.85Å; D371-L375 VanDerWaalsContact O-CG 3.31Å; D371-L375 WeakPolarHBondContact O-CG 3.31Å; D371-L375 PolarHBondContact O-N 3.26Å
372	D	56	Low	65.3	Low	125 Å²	125	96 Å²	96	67%	0.668	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-36.2	177.8	-66.2	-24.3	0	0	0	113.5	S370 L374 L375 S376	S370-D372 PolarHBondContact O-N 2.94Å; D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 PolarHBondContact O-N 2.98Å; D372-L375 PolarHBondContact O-N 3.35Å; D372-S376 PolarHBondContact O-N 2.91Å
373	E	60.4	Low	64.8	Low	130 Å²	130	95.8 Å²	95.8	61%	0.607	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.9	174.9	-72.6	-174	156	0	0	112	S370 L375 S376	S370-E373 PolarHBondContact O-N 3Å; E373-L375 VanDerWaalsContact C-N 3.3Å; E373-S376 PolarHBondContact O-OG 3.22Å
374	L	56.4	Low	64.3	Low	34 Å²	34	98.5 Å²	98.5	18%	0.178	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.4	174	-97.8	155.9	0	0	0	112.8	D371 D372 R388 K389 I392	D371-L374 WeakPolarHBondContact O-CB 3.31Å; D371-L374 PolarHBondContact O-N 2.85Å; D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 PolarHBondContact O-N 2.98Å; L374-R388 HydrophobicContact CD2-CG 4.21Å; L374-K389 HydrophobicContact CD2-CG 4.27Å; L374-I392 HydrophobicContact CD1-CD1 3.86Å; L374-I392 HydrophobicContact CD2-CD1 3.71Å; L374-I392 HydrophobicContact CG-CD1 4.1Å
375	L	59.2	Low	64	Low	106 Å²	106	96 Å²	96	56%	0.555	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-8.9	-177	-68.7	169.5	0	0	0	113.1	D371 D372 E373 D377	D371-L375 VanDerWaalsContact O-CG 3.31Å; D371-L375 WeakPolarHBondContact O-CG 3.31Å; D371-L375 PolarHBondContact O-N 3.26Å; D372-L375 PolarHBondContact O-N 3.35Å; E373-L375 VanDerWaalsContact C-N 3.3Å; L375-D377 PolarHBondContact O-N 2.91Å
376	S	52.5	Low	63.8	Low	71 Å²	71	95.2 Å²	95.2	50%	0.497	53%	0.526	S	S	.	.			trans	-78.7	113	-170.3	58.8	0	0	0	0	114.3	D372 E373	D372-S376 PolarHBondContact O-N 2.91Å; E373-S376 PolarHBondContact O-OG 3.22Å
377	D	55.2	Low	63.8	Low	157 Å²	157	95.3 Å²	95.3	84%	0.84	53%	0.533	S	S	*	.	S	Bend	trans	90.3	11.8	136.3	-65.4	-7.6	0	0	0	123.6	L375	L375-D377 PolarHBondContact O-N 2.91Å
378	T	54.7	Low	63.9	Low	94 Å²	94	96.9 Å²	96.9	58%	0.577	53%	0.531	S	S	*	.	S	Bend	trans	-138	144.7	156.8	19.7	0	0	0	0	110.5	E380	T378-E380 PolarHBondContact O-N 3.47Å
379	P	52.2	Low	64.1	Low	135 Å²	135	93.7 Å²	93.7	88%	0.877	51%	0.513	S	S	*	.			trans	-70.5	68.8	171.7	31.4	-32.2	0	0	0	108.4	D381	P379-D381 PolarHBondContact O-N 3.15Å
380	E	57.3	Low	65	Low	66 Å²	66	93.5 Å²	93.5	31%	0.308	51%	0.507	S	S	.	.			trans	-66.9	125.7	166	-69.4	-175.7	179	0	0	105.9	T378 E382 Q384 I385	T378-E380 PolarHBondContact O-N 3.47Å; E380-E382 PolarHBondContact O-N 2.82Å; E380-Q384 HydrophobicContact CB-CB 4.18Å; E380-I385 HydrophobicContact CB-CG1 4.26Å
381	D	66.8	Low	66.1	Low	104 Å²	104	94.6 Å²	94.6	56%	0.556	51%	0.511	S	S	*	.			trans	-39.3	134.8	172.8	177.7	6.8	0	0	0	109.5	P379 S383 Q384 I385	P379-D381 PolarHBondContact O-N 3.15Å; D381-S383 CarbonylContact O-C 3.56Å; D381-S383 PolarHBondContact O-N 3.02Å; D381-S383 PolarHBondContact OD1-N 2.91Å; D381-S383 WeakPolarHBondContact OD2-CB 3.46Å; D381-Q384 HydrophobicContact CB-CG 4.36Å; D381-Q384 WeakPolarHBondContact O-CA 3.45Å; D381-Q384 WeakPolarHBondContact O-CB 3.2Å; D381-Q384 PolarHBondContact O-N 2.98Å; D381-I385 PolarHBondContact O-N 3.31Å
382	E	71	Confident	67	Low	160 Å²	160	91.7 Å²	91.7	75%	0.748	50%	0.495	S	S	*	.	H	α-helix	trans	-51.1	-28.7	-179	-164.8	178.1	-176.5	0	0	111.6	E380 T386	E380-E382 PolarHBondContact O-N 2.82Å; E382-T386 WeakPolarHBondContact O-CB 3.3Å; E382-T386 PolarHBondContact O-N 2.91Å; E382-T386 PolarHBondContact O-OG1 2.83Å
383	S	74.3	Confident	68.1	Low	77 Å²	77	91 Å²	91	54%	0.538	48%	0.483	S	S	.	.	H	α-helix	trans	-56.1	-45.4	168.9	-174.5	0	0	0	0	114.1	D381 T386 A387	D381-S383 CarbonylContact O-C 3.56Å; D381-S383 PolarHBondContact O-N 3.02Å; D381-S383 PolarHBondContact OD1-N 2.91Å; D381-S383 WeakPolarHBondContact OD2-CB 3.46Å; S383-T386 PolarHBondContact O-N 3.44Å; S383-A387 WeakPolarHBondContact O-CB 3.45Å; S383-A387 PolarHBondContact O-N 3.43Å
384	Q	72	Confident	69.1	Low	104 Å²	104	89.2 Å²	89.2	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-69.9	-43.6	-179.6	-67.3	-177.5	4.9	0	0	112.2	E380 D381 T386 A387 R388	E380-Q384 HydrophobicContact CB-CB 4.18Å; D381-Q384 HydrophobicContact CB-CG 4.36Å; D381-Q384 WeakPolarHBondContact O-CA 3.45Å; D381-Q384 WeakPolarHBondContact O-CB 3.2Å; D381-Q384 PolarHBondContact O-N 2.98Å; Q384-T386 VanDerWaalsContact C-N 3.29Å; Q384-T386 PolarHBondContact O-N 2.84Å; Q384-A387 PolarHBondContact O-N 3.32Å; Q384-R388 WeakPolarHBondContact O-CB 3.26Å; Q384-R388 PolarHBondContact O-N 3.27Å
385	I	74.7	Confident	70.2	Confident	39 Å²	39	93.5 Å²	93.5	20%	0.2	50%	0.495	C	S	.	.	H	α-helix	trans	-60.4	-44.5	175.7	-62	174.8	0	0	0	109.8	E380 D381 R388 K389	E380-I385 HydrophobicContact CB-CG1 4.26Å; D381-I385 PolarHBondContact O-N 3.31Å; I385-R388 PolarHBondContact O-N 2.93Å; I385-K389 HydrophobicContact CG2-CD 4.33Å; I385-K389 WeakPolarHBondContact O-CG 3.15Å; I385-K389 PolarHBondContact O-N 2.76Å
386	T	78.4	Confident	71.2	Confident	67 Å²	67	92 Å²	92	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-45.9	177.5	-57.5	0	0	0	0	111.3	E382 S383 Q384 R388 K389 D390	E382-T386 WeakPolarHBondContact O-CB 3.3Å; E382-T386 PolarHBondContact O-N 2.91Å; E382-T386 PolarHBondContact O-OG1 2.83Å; S383-T386 PolarHBondContact O-N 3.44Å; Q384-T386 VanDerWaalsContact C-N 3.29Å; Q384-T386 PolarHBondContact O-N 2.84Å; T386-R388 VanDerWaalsContact C-N 3.33Å; T386-R388 PolarHBondContact O-N 3.49Å; T386-K389 PolarHBondContact O-N 2.69Å; T386-D390 PolarHBondContact O-N 3.21Å
387	A	75.5	Confident	72.6	Confident	52 Å²	52	96.3 Å²	96.3	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-60.2	-40.9	176.1	0	0	0	0	0	112.3	S383 Q384 D390 V391	S383-A387 WeakPolarHBondContact O-CB 3.45Å; S383-A387 PolarHBondContact O-N 3.43Å; Q384-A387 PolarHBondContact O-N 3.32Å; A387-D390 PolarHBondContact O-N 3.32Å; A387-V391 WeakPolarHBondContact O-CG2 3.25Å; A387-V391 PolarHBondContact O-N 2.72Å
388	R	75.3	Confident	73.9	Confident	142 Å²	142	91.3 Å²	91.3	54%	0.536	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-42.4	178	-163.1	168.9	-176.1	165	-3.1	111.8	L374 Q384 I385 T386 D390 V391 I392	L374-R388 HydrophobicContact CD2-CG 4.21Å; Q384-R388 WeakPolarHBondContact O-CB 3.26Å; Q384-R388 PolarHBondContact O-N 3.27Å; I385-R388 PolarHBondContact O-N 2.93Å; T386-R388 VanDerWaalsContact C-N 3.33Å; T386-R388 PolarHBondContact O-N 3.49Å; R388-D390 VanDerWaalsContact C-N 3.31Å; R388-D390 PolarHBondContact O-N 2.81Å; R388-V391 PolarHBondContact O-N 3.09Å; R388-I392 WeakPolarHBondContact O-CG1 3.21Å; R388-I392 PolarHBondContact O-N 3.29Å
389	K	78.1	Confident	75.2	Confident	67 Å²	67	88.4 Å²	88.4	29%	0.291	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-39.8	172.3	-75	-178.3	177.9	-177.6	0	111.8	L374 I385 T386 I392 R393	L374-K389 HydrophobicContact CD2-CG 4.27Å; I385-K389 HydrophobicContact CG2-CD 4.33Å; I385-K389 WeakPolarHBondContact O-CG 3.15Å; I385-K389 PolarHBondContact O-N 2.76Å; T386-K389 PolarHBondContact O-N 2.69Å; K389-I392 PolarHBondContact O-N 3.25Å; K389-R393 WeakPolarHBondContact O-CB 3.42Å; K389-R393 WeakPolarHBondContact O-CG 3.33Å; K389-R393 PolarHBondContact O-N 3.41Å
390	D	80.8	Confident	76.6	Confident	67 Å²	67	83.8 Å²	83.8	36%	0.358	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-41.3	175.4	-81.4	-31	0	0	0	112.9	T386 A387 R388 R393 N394	T386-D390 PolarHBondContact O-N 3.21Å; A387-D390 PolarHBondContact O-N 3.32Å; R388-D390 VanDerWaalsContact C-N 3.31Å; R388-D390 PolarHBondContact O-N 2.81Å; D390-R393 PolarHBondContact O-N 3.45Å; D390-R393 IonicContact OD1-CZ 3.53Å; D390-R393 IonicContact OD1-NE 3.91Å; D390-R393 PolarHBondContact OD1-NE 2.98Å; D390-R393 IonicContact OD1-NH2 3.55Å; D390-R393 PolarHBondContact OD1-NH2 2.79Å; D390-N394 WeakPolarHBondContact O-CB 3.44Å; D390-N394 PolarHBondContact O-N 3.42Å; D390-N394 PolarHBondContact O-ND2 2.84Å
391	V	79.3	Confident	77.8	Confident	76 Å²	76	88.1 Å²	88.1	46%	0.461	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-45.8	175.1	171.2	0	0	0	0	111	A387 R388 N394 K395	A387-V391 WeakPolarHBondContact O-CG2 3.25Å; A387-V391 PolarHBondContact O-N 2.72Å; R388-V391 PolarHBondContact O-N 3.09Å; V391-N394 PolarHBondContact O-N 3.44Å; V391-K395 HydrophobicContact CG1-CD 4.4Å; V391-K395 WeakPolarHBondContact O-CG 3.41Å; V391-K395 PolarHBondContact O-N 3.08Å
392	I	77	Confident	78.4	Confident	52 Å²	52	88.8 Å²	88.8	27%	0.267	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-46.3	178.6	-66.7	170.8	0	0	0	110.7	L374 R388 K389 N394 K395 I396	L374-I392 HydrophobicContact CD1-CD1 3.86Å; L374-I392 HydrophobicContact CD2-CD1 3.71Å; L374-I392 HydrophobicContact CG-CD1 4.1Å; R388-I392 WeakPolarHBondContact O-CG1 3.21Å; R388-I392 PolarHBondContact O-N 3.29Å; K389-I392 PolarHBondContact O-N 3.25Å; I392-N394 VanDerWaalsContact C-N 3.27Å; I392-N394 PolarHBondContact O-N 3.36Å; I392-K395 PolarHBondContact O-N 3.46Å; I392-K395 VanDerWaalsContact O-N 3.11Å; I392-I396 HydrophobicContact CG2-CD1 3.82Å; I392-I396 HydrophobicContact CG2-CG1 4.36Å; I392-I396 WeakPolarHBondContact O-CG1 3.28Å; I392-I396 PolarHBondContact O-N 3.3Å
393	R	79.6	Confident	78.8	Confident	110 Å²	110	82.1 Å²	82.1	42%	0.415	42%	0.421	S	S	.	.	H	α-helix	trans	-56	-42.4	174.5	-82.3	-168.2	-71.8	-104.1	6.5	112.1	K389 D390 I396 R397	K389-R393 WeakPolarHBondContact O-CB 3.42Å; K389-R393 WeakPolarHBondContact O-CG 3.33Å; K389-R393 PolarHBondContact O-N 3.41Å; D390-R393 PolarHBondContact O-N 3.45Å; D390-R393 IonicContact OD1-CZ 3.53Å; D390-R393 IonicContact OD1-NE 3.91Å; D390-R393 PolarHBondContact OD1-NE 2.98Å; D390-R393 IonicContact OD1-NH2 3.55Å; D390-R393 PolarHBondContact OD1-NH2 2.79Å; R393-I396 PolarHBondContact O-N 3.07Å; R393-R397 WeakPolarHBondContact O-CB 3.05Å; R393-R397 VanDerWaalsContact O-CG 3.26Å; R393-R397 WeakPolarHBondContact O-CG 3.11Å; R393-R397 PolarHBondContact O-N 3.27Å
394	N	80.9	Confident	79.1	Confident	93 Å²	93	86.9 Å²	86.9	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-66.7	-39.2	178.1	-73.8	-26.7	0	0	0	112	D390 V391 I392 R397 A398	D390-N394 WeakPolarHBondContact O-CB 3.44Å; D390-N394 PolarHBondContact O-N 3.42Å; D390-N394 PolarHBondContact O-ND2 2.84Å; V391-N394 PolarHBondContact O-N 3.44Å; I392-N394 VanDerWaalsContact C-N 3.27Å; I392-N394 PolarHBondContact O-N 3.36Å; N394-R397 PolarHBondContact O-N 2.94Å; N394-A398 WeakPolarHBondContact O-CB 3.44Å; N394-A398 PolarHBondContact O-N 3.44Å
395	K	80	Confident	79.5	Confident	124 Å²	124	84.6 Å²	84.6	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-46.9	174	-73.3	179.7	177.6	-175.2	0	112.1	V391 I392 R397 A398 I399	V391-K395 HydrophobicContact CG1-CD 4.4Å; V391-K395 WeakPolarHBondContact O-CG 3.41Å; V391-K395 PolarHBondContact O-N 3.08Å; I392-K395 PolarHBondContact O-N 3.46Å; I392-K395 VanDerWaalsContact O-N 3.11Å; K395-R397 VanDerWaalsContact C-N 3.33Å; K395-R397 PolarHBondContact O-N 3.01Å; K395-A398 PolarHBondContact O-N 3.48Å; K395-I399 WeakPolarHBondContact O-CG1 3.39Å; K395-I399 PolarHBondContact O-N 3.34Å
396	I	80.1	Confident	79.8	Confident	74 Å²	74	85.1 Å²	85.1	38%	0.379	42%	0.421	S	S	.	.	H	α-helix	trans	-59.3	-45.6	176	-67.4	170.4	0	0	0	110.3	L366 I392 R393 A398 I399 G400	L366-I396 HydrophobicContact CD1-CG1 4.24Å; I392-I396 HydrophobicContact CG2-CD1 3.82Å; I392-I396 HydrophobicContact CG2-CG1 4.36Å; I392-I396 WeakPolarHBondContact O-CG1 3.28Å; I392-I396 PolarHBondContact O-N 3.3Å; R393-I396 PolarHBondContact O-N 3.07Å; I396-A398 PolarHBondContact O-N 3.07Å; I396-I399 PolarHBondContact O-N 2.89Å; I396-G400 PolarHBondContact O-N 2.84Å
397	R	82.3	Confident	80	Confident	162 Å²	162	83.8 Å²	83.8	61%	0.611	41%	0.413	S	S	*	.	H	α-helix	trans	-61.9	-41	176.4	-75.6	173.2	177.5	177.9	-1.1	112.5	R393 N394 K395 K401	R393-R397 WeakPolarHBondContact O-CB 3.05Å; R393-R397 VanDerWaalsContact O-CG 3.26Å; R393-R397 WeakPolarHBondContact O-CG 3.11Å; R393-R397 PolarHBondContact O-N 3.27Å; N394-R397 PolarHBondContact O-N 2.94Å; K395-R397 VanDerWaalsContact C-N 3.33Å; K395-R397 PolarHBondContact O-N 3.01Å; R397-K401 WeakPolarHBondContact O-CG 2.97Å; R397-K401 PolarHBondContact O-N 2.95Å
398	A	82.1	Confident	80.1	Confident	53 Å²	53	82.1 Å²	82.1	44%	0.438	40%	0.397	S	S	.	.	H	α-helix	trans	-65.2	-45.7	178.1	0	0	0	0	0	111.6	N394 K395 I396 K401 M402	N394-A398 WeakPolarHBondContact O-CB 3.44Å; N394-A398 PolarHBondContact O-N 3.44Å; K395-A398 PolarHBondContact O-N 3.48Å; I396-A398 PolarHBondContact O-N 3.07Å; A398-K401 WeakPolarHBondContact O-CB 3.48Å; A398-K401 PolarHBondContact O-N 3.16Å; A398-M402 PolarHBondContact O-N 3.37Å
399	I	82.4	Confident	80.2	Confident	33 Å²	33	77 Å²	77	17%	0.169	38%	0.38	C	S	.	.	H	α-helix	trans	-65.7	-42.9	177.1	-68	164.1	0	0	0	110.7	V363 L366 K395 I396 K401 M402 A403	V363-I399 HydrophobicContact CG2-CG2 3.55Å; L366-I399 HydrophobicContact CD1-CD1 3.29Å; K395-I399 WeakPolarHBondContact O-CG1 3.39Å; K395-I399 PolarHBondContact O-N 3.34Å; I396-I399 PolarHBondContact O-N 2.89Å; I399-K401 VanDerWaalsContact C-N 3.29Å; I399-K401 PolarHBondContact O-N 3.46Å; I399-M402 CarbonylContact O-C 3.6Å; I399-M402 PolarHBondContact O-N 2.86Å; I399-M402 VanDerWaalsContact O-N 3.09Å; I399-A403 WeakPolarHBondContact O-CB 3.01Å; I399-A403 PolarHBondContact O-N 3.34Å
400	G	80.5	Confident	80.2	Confident	37 Å²	37	78.1 Å²	78.1	38%	0.381	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-37.1	175.6	0	0	0	0	0	113	I396 R404	I396-G400 PolarHBondContact O-N 2.84Å; G400-R404 WeakPolarHBondContact O-CB 3.22Å; G400-R404 PolarHBondContact O-N 3.03Å; G400-R404 VanDerWaalsContact O-N 3.09Å
401	K	82.8	Confident	80.1	Confident	158 Å²	158	80.1 Å²	80.1	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-64.8	-45.2	171.3	-75.5	178.4	-178.4	-175.4	0	111.7	R397 A398 I399 R404 V405	R397-K401 WeakPolarHBondContact O-CG 2.97Å; R397-K401 PolarHBondContact O-N 2.95Å; A398-K401 WeakPolarHBondContact O-CB 3.48Å; A398-K401 PolarHBondContact O-N 3.16Å; I399-K401 VanDerWaalsContact C-N 3.29Å; I399-K401 PolarHBondContact O-N 3.46Å; K401-R404 PolarHBondContact O-N 3.34Å; K401-V405 WeakPolarHBondContact O-CG2 3.31Å; K401-V405 PolarHBondContact O-N 2.6Å
402	M	78.6	Confident	79.9	Confident	117 Å²	117	77.1 Å²	77.1	58%	0.576	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-44.7	177.4	-75.7	-163.8	164.3	0	0	112.4	T359 A398 I399 R404 V405 F406	T359-M402 HydrophobicContact CG2-CB 4.28Å; A398-M402 PolarHBondContact O-N 3.37Å; I399-M402 CarbonylContact O-C 3.6Å; I399-M402 PolarHBondContact O-N 2.86Å; I399-M402 VanDerWaalsContact O-N 3.09Å; M402-R404 VanDerWaalsContact C-N 3.28Å; M402-R404 PolarHBondContact O-N 3.32Å; M402-V405 PolarHBondContact O-N 2.9Å; M402-V405 VanDerWaalsContact O-N 3.08Å; M402-F406 WeakPolarHBondContact O-CD2 3.33Å; M402-F406 PolarHBondContact O-N 3.19Å
403	A	80.4	Confident	79.7	Confident	20 Å²	20	76.9 Å²	76.9	17%	0.165	37%	0.374	C	S	.	.	H	α-helix	trans	-55.2	-47	175.7	0	0	0	0	0	110.4	I399 V405 F406 T407	I399-A403 WeakPolarHBondContact O-CB 3.01Å; I399-A403 PolarHBondContact O-N 3.34Å; A403-V405 PolarHBondContact O-N 3.18Å; A403-F406 PolarHBondContact O-N 2.83Å; A403-T407 WeakPolarHBondContact O-CB 3.36Å; A403-T407 PolarHBondContact O-N 2.97Å; A403-T407 PolarHBondContact O-OG1 3.36Å; A403-T407 VanDerWaalsContact O-OG1 3.06Å
404	R	80	Confident	79.1	Confident	178 Å²	178	78.6 Å²	78.6	67%	0.672	39%	0.386	S	S	*	.	H	α-helix	trans	-59.7	-42.4	175.5	-172.2	175.9	-179.2	176.6	-0.5	112.8	G400 K401 M402 V408	G400-R404 WeakPolarHBondContact O-CB 3.22Å; G400-R404 PolarHBondContact O-N 3.03Å; G400-R404 VanDerWaalsContact O-N 3.09Å; K401-R404 PolarHBondContact O-N 3.34Å; M402-R404 VanDerWaalsContact C-N 3.28Å; M402-R404 PolarHBondContact O-N 3.32Å; R404-V408 VanDerWaalsContact O-CG2 3.3Å; R404-V408 WeakPolarHBondContact O-CG2 3.32Å; R404-V408 PolarHBondContact O-N 2.72Å
405	V	80.2	Confident	78.4	Confident	56 Å²	56	74.9 Å²	74.9	34%	0.339	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-44.7	176.9	171.1	0	0	0	0	111	K401 M402 A403 V408 L409	K401-V405 WeakPolarHBondContact O-CG2 3.31Å; K401-V405 PolarHBondContact O-N 2.6Å; M402-V405 PolarHBondContact O-N 2.9Å; M402-V405 VanDerWaalsContact O-N 3.08Å; A403-V405 PolarHBondContact O-N 3.18Å; V405-V408 PolarHBondContact O-N 3.12Å; V405-L409 HydrophobicContact CG1-CD1 4.03Å; V405-L409 HydrophobicContact CG1-CG 4.48Å; V405-L409 WeakPolarHBondContact O-CB 3.5Å; V405-L409 WeakPolarHBondContact O-CG 3.17Å; V405-L409 PolarHBondContact O-N 3.24Å
406	F	82.4	Confident	77.8	Confident	49 Å²	49	69.4 Å²	69.4	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-69.3	-37.2	178.8	-77	-60.1	0	0	0	113.2	E356 T359 M402 A403 L409 R410	E356-F406 HydrophobicContact CB-CB 4.14Å; T359-F406 HydrophobicContact CG2-CD2 4.05Å; T359-F406 HydrophobicContact CG2-CE2 4.41Å; M402-F406 WeakPolarHBondContact O-CD2 3.33Å; M402-F406 PolarHBondContact O-N 3.19Å; A403-F406 PolarHBondContact O-N 2.83Å; F406-L409 HydrophobicContact CD1-CD1 4.02Å; F406-L409 HydrophobicContact CE1-CD1 4.36Å; F406-L409 PolarHBondContact O-N 3.32Å; F406-R410 VanDerWaalsContact O-CB 3.32Å; F406-R410 WeakPolarHBondContact O-CB 3.26Å; F406-R410 PolarHBondContact O-N 3Å
407	T	81.4	Confident	77.2	Confident	40 Å²	40	67.2 Å²	67.2	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-60.4	-47.3	171.7	-62.8	0	0	0	0	110.7	E356 A403 L409 R410 E411	E356-T407 PolarHBondContact OE1-OG1 3.28Å; A403-T407 WeakPolarHBondContact O-CB 3.36Å; A403-T407 PolarHBondContact O-N 2.97Å; A403-T407 PolarHBondContact O-OG1 3.36Å; A403-T407 VanDerWaalsContact O-OG1 3.06Å; T407-L409 PolarHBondContact O-N 3.33Å; T407-R410 PolarHBondContact O-N 3.02Å; T407-E411 VanDerWaalsContact CG2-CD 3.44Å; T407-E411 HydrophobicContact CG2-CG 4.04Å; T407-E411 WeakPolarHBondContact CG2-OE1 3.26Å; T407-E411 VanDerWaalsContact O-CB 3.32Å; T407-E411 WeakPolarHBondContact O-CB 3.44Å; T407-E411 VanDerWaalsContact O-CG 3.31Å; T407-E411 WeakPolarHBondContact O-CG 3.17Å; T407-E411 PolarHBondContact O-N 3.47Å
408	V	78.9	Confident	76.3	Confident	17 Å²	17	64.1 Å²	64.1	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-46.3	175.5	171.7	0	0	0	0	111.3	R404 V405 R410 E412 I440	R404-V408 VanDerWaalsContact O-CG2 3.3Å; R404-V408 WeakPolarHBondContact O-CG2 3.32Å; R404-V408 PolarHBondContact O-N 2.72Å; V405-V408 PolarHBondContact O-N 3.12Å; V408-R410 PolarHBondContact O-N 3.4Å; V408-E412 HydrophobicContact CG1-CG 4.4Å; V408-E412 VanDerWaalsContact O-CB 3.29Å; V408-E412 WeakPolarHBondContact O-CB 3.22Å; V408-E412 PolarHBondContact O-N 2.75Å; V408-I440 HydrophobicContact CG1-CD1 3.65Å
409	L	76.5	Confident	75.3	Confident	33 Å²	33	62.9 Å²	62.9	17%	0.173	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-35.5	177.1	-80.9	170	0	0	0	112.7	P352 V405 F406 T407 S413 I416 L433	P352-L409 HydrophobicContact CB-CB 3.84Å; P352-L409 HydrophobicContact CG-CB 4.22Å; V405-L409 HydrophobicContact CG1-CD1 4.03Å; V405-L409 HydrophobicContact CG1-CG 4.48Å; V405-L409 WeakPolarHBondContact O-CB 3.5Å; V405-L409 WeakPolarHBondContact O-CG 3.17Å; V405-L409 PolarHBondContact O-N 3.24Å; F406-L409 HydrophobicContact CD1-CD1 4.02Å; F406-L409 HydrophobicContact CE1-CD1 4.36Å; F406-L409 PolarHBondContact O-N 3.32Å; T407-L409 PolarHBondContact O-N 3.33Å; L409-S413 WeakPolarHBondContact O-CA 3.46Å; L409-S413 VanDerWaalsContact O-CB 3.26Å; L409-S413 WeakPolarHBondContact O-CB 3.19Å; L409-S413 PolarHBondContact O-N 3.38Å; L409-I416 HydrophobicContact CD2-CD1 3.99Å; L409-L433 HydrophobicContact CD2-CD1 3.57Å; L409-L433 HydrophobicContact CD2-CD2 3.61Å; L409-L433 HydrophobicContact CD2-CG 4.23Å; L409-L433 HydrophobicContact CG-CD1 4.14Å; L409-L433 HydrophobicContact CG-CD2 4.22Å
410	R	77.6	Confident	74.4	Confident	91 Å²	91	64.6 Å²	64.6	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-78.8	-51.4	179.5	-173.8	-171.9	72.9	88.4	-3.9	111.8	E356 F406 T407 V408 E412 S413	E356-R410 IonicContact OE1-CZ 3.34Å; E356-R410 IonicContact OE1-NE 3.5Å; E356-R410 PolarHBondContact OE1-NE 3.46Å; E356-R410 IonicContact OE1-NH2 2.79Å; E356-R410 PolarHBondContact OE1-NH2 3.14Å; E356-R410 WeakPolarHBondContact OE2-CD 3.48Å; E356-R410 IonicContact OE2-CZ 3.58Å; E356-R410 IonicContact OE2-NE 2.76Å; E356-R410 PolarHBondContact OE2-NE 3.34Å; E356-R410 IonicContact OE2-NH2 3.31Å; F406-R410 VanDerWaalsContact O-CB 3.32Å; F406-R410 WeakPolarHBondContact O-CB 3.26Å; F406-R410 PolarHBondContact O-N 3Å; T407-R410 PolarHBondContact O-N 3.02Å; V408-R410 PolarHBondContact O-N 3.4Å; R410-E412 VanDerWaalsContact C-N 3.27Å; R410-E412 PolarHBondContact O-N 2.91Å; R410-S413 WeakPolarHBondContact O-CB 3.4Å; R410-S413 PolarHBondContact O-N 3.41Å; R410-S413 VanDerWaalsContact O-N 3.12Å; R410-S413 PolarHBondContact O-OG 3.12Å
411	E	78.9	Confident	73.6	Confident	110 Å²	110	64.6 Å²	64.6	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-34.1	-177.1	-71.3	-178.9	167.8	0	0	111.9	T407	T407-E411 VanDerWaalsContact CG2-CD 3.44Å; T407-E411 HydrophobicContact CG2-CG 4.04Å; T407-E411 WeakPolarHBondContact CG2-OE1 3.26Å; T407-E411 VanDerWaalsContact O-CB 3.32Å; T407-E411 WeakPolarHBondContact O-CB 3.44Å; T407-E411 VanDerWaalsContact O-CG 3.31Å; T407-E411 WeakPolarHBondContact O-CG 3.17Å; T407-E411 PolarHBondContact O-N 3.47Å
412	E	75.4	Confident	72.2	Confident	13 Å²	13	60 Å²	60	6%	0.061	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	18.5	175.9	-52.9	-58.7	135.2	0	0	111.9	V408 R410 E414 T415 I416 R437 I440	V408-E412 HydrophobicContact CG1-CG 4.4Å; V408-E412 VanDerWaalsContact O-CB 3.29Å; V408-E412 WeakPolarHBondContact O-CB 3.22Å; V408-E412 PolarHBondContact O-N 2.75Å; R410-E412 VanDerWaalsContact C-N 3.27Å; R410-E412 PolarHBondContact O-N 2.91Å; E412-E414 VanDerWaalsContact C-N 3.34Å; E412-E414 PolarHBondContact O-N 2.94Å; E412-T415 PolarHBondContact O-N 2.99Å; E412-I416 HydrophobicContact CB-CD1 4.06Å; E412-I416 HydrophobicContact CB-CG1 4.33Å; E412-I416 WeakPolarHBondContact O-CB 3.38Å; E412-I416 WeakPolarHBondContact O-CD1 3.39Å; E412-I416 WeakPolarHBondContact O-CG1 3.44Å; E412-I416 PolarHBondContact O-N 3.13Å; E412-R437 IonicContact OE1-CZ 2.65Å; E412-R437 IonicContact OE1-NE 3.33Å; E412-R437 PolarHBondContact OE1-NE 2.88Å; E412-R437 IonicContact OE1-NH2 3.85Å; E412-R437 PolarHBondContact OE1-NH2 2.94Å; E412-R437 IonicContact OE2-NE 3.38Å; E412-I440 HydrophobicContact CB-CD1 3.85Å; E412-I440 HydrophobicContact CG-CD1 3.89Å
413	S	72.8	Confident	71.1	Confident	46 Å²	46	56.6 Å²	56.6	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-41.6	-174.6	55.3	0	0	0	0	112.6	L409 R410 I416 L417	L409-S413 WeakPolarHBondContact O-CA 3.46Å; L409-S413 VanDerWaalsContact O-CB 3.26Å; L409-S413 WeakPolarHBondContact O-CB 3.19Å; L409-S413 PolarHBondContact O-N 3.38Å; R410-S413 WeakPolarHBondContact O-CB 3.4Å; R410-S413 PolarHBondContact O-N 3.41Å; R410-S413 VanDerWaalsContact O-N 3.12Å; R410-S413 PolarHBondContact O-OG 3.12Å; S413-I416 PolarHBondContact O-N 2.78Å; S413-L417 WeakPolarHBondContact O-CB 3.27Å; S413-L417 PolarHBondContact O-N 3.24Å
414	E	66	Low	69.7	Low	146 Å²	146	57 Å²	57	68%	0.682	29%	0.286	S	S	*	.	H	α-helix	trans	-62.3	-53	176.5	-66.5	-177	167.8	0	0	111.2	E412 I416 L417 E418	E412-E414 VanDerWaalsContact C-N 3.34Å; E412-E414 PolarHBondContact O-N 2.94Å; E414-I416 VanDerWaalsContact C-N 3.28Å; E414-I416 PolarHBondContact O-N 3.11Å; E414-L417 WeakPolarHBondContact O-CB 3.3Å; E414-L417 PolarHBondContact O-N 3.07Å; E414-L417 VanDerWaalsContact O-N 3.08Å; E414-E418 WeakPolarHBondContact O-CB 3.42Å; E414-E418 WeakPolarHBondContact O-CG 3.32Å; E414-E418 PolarHBondContact O-N 2.88Å
415	T	66.7	Low	68.5	Low	15 Å²	15	53.1 Å²	53.1	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-53.8	-45.5	175	-50.4	0	0	0	0	111.8	E412 L419 I440 W447	E412-T415 PolarHBondContact O-N 2.99Å; T415-L419 HydrophobicContact CG2-CD1 3.86Å; T415-L419 HydrophobicContact CG2-CG 4.42Å; T415-L419 VanDerWaalsContact O-CB 3.26Å; T415-L419 WeakPolarHBondContact O-CB 3.49Å; T415-L419 WeakPolarHBondContact O-CD1 3.29Å; T415-L419 WeakPolarHBondContact O-CG 3.18Å; T415-L419 PolarHBondContact O-N 3.42Å; T415-I440 HydrophobicContact CG2-CG2 3.85Å; T415-W447 HydrophobicContact CG2-CE3 3.65Å; T415-W447 HydrophobicContact CG2-CH2 4.24Å; T415-W447 HydrophobicContact CG2-CZ3 3.33Å; T415-W447 WeakPolarHBondContact OG1-CZ3 3.17Å
416	I	67.8	Low	67.6	Low	9 Å²	9	51 Å²	51	5%	0.046	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-42.5	179	-71.2	168.1	0	0	0	110.5	L409 E412 S413 E414 L419 K420 L428 L433 I440	L409-I416 HydrophobicContact CD2-CD1 3.99Å; E412-I416 HydrophobicContact CB-CD1 4.06Å; E412-I416 HydrophobicContact CB-CG1 4.33Å; E412-I416 WeakPolarHBondContact O-CB 3.38Å; E412-I416 WeakPolarHBondContact O-CD1 3.39Å; E412-I416 WeakPolarHBondContact O-CG1 3.44Å; E412-I416 PolarHBondContact O-N 3.13Å; S413-I416 PolarHBondContact O-N 2.78Å; E414-I416 VanDerWaalsContact C-N 3.28Å; E414-I416 PolarHBondContact O-N 3.11Å; I416-L419 PolarHBondContact O-N 2.76Å; I416-K420 HydrophobicContact CG2-CD 4.07Å; I416-K420 HydrophobicContact CG2-CG 4.26Å; I416-K420 WeakPolarHBondContact O-CB 3.27Å; I416-K420 WeakPolarHBondContact O-CG 3.45Å; I416-K420 PolarHBondContact O-N 2.88Å; I416-L428 HydrophobicContact CB-CD1 4.42Å; I416-L428 HydrophobicContact CD1-CD1 4.35Å; I416-L428 HydrophobicContact CG1-CD1 3.97Å; I416-L428 HydrophobicContact CG2-CD1 3.8Å; I416-L433 HydrophobicContact CD1-CD2 3.71Å; I416-I440 HydrophobicContact CD1-CD1 4.14Å; I416-I440 HydrophobicContact CG1-CD1 4.4Å
417	L	67.4	Low	66.6	Low	28 Å²	28	54.4 Å²	54.4	15%	0.147	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-42.8	179.9	-166.5	67.9	0	0	0	110.9	P341 M344 S413 E414 K420 G421	P341-L417 HydrophobicContact CB-CD1 4.3Å; P341-L417 HydrophobicContact CG-CD1 3.83Å; P341-L417 HydrophobicContact CG-CD2 4.49Å; P341-L417 HydrophobicContact CG-CG 3.8Å; M344-L417 HydrophobicContact CE-CD1 3.43Å; M344-L417 VanDerWaalsContact CE-CD1 3.43Å; S413-L417 WeakPolarHBondContact O-CB 3.27Å; S413-L417 PolarHBondContact O-N 3.24Å; E414-L417 WeakPolarHBondContact O-CB 3.3Å; E414-L417 PolarHBondContact O-N 3.07Å; E414-L417 VanDerWaalsContact O-N 3.08Å; L417-K420 PolarHBondContact O-N 3.27Å; L417-G421 PolarHBondContact O-N 2.77Å
418	E	63.1	Low	65.6	Low	97 Å²	97	54 Å²	54	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-66	-48.4	174.5	-70.8	179.1	-172.1	0	0	111.5	E414 K420 G421 L422 W447	E414-E418 WeakPolarHBondContact O-CB 3.42Å; E414-E418 WeakPolarHBondContact O-CG 3.32Å; E414-E418 PolarHBondContact O-N 2.88Å; E418-K420 VanDerWaalsContact C-N 3.27Å; E418-K420 PolarHBondContact O-N 2.9Å; E418-G421 WeakPolarHBondContact O-CA 3.3Å; E418-G421 PolarHBondContact O-N 2.82Å; E418-L422 WeakPolarHBondContact O-CG 3.11Å; E418-L422 PolarHBondContact O-N 2.87Å; E418-W447 WeakPolarHBondContact OE2-CH2 3.5Å; E418-W447 WeakPolarHBondContact OE2-CZ2 3.43Å
419	L	61.1	Low	64.5	Low	28 Å²	28	56.5 Å²	56.5	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-39.7	174.4	-76	169.3	0	0	0	112	T415 I416 G421 L422 T423 L428 I440	T415-L419 HydrophobicContact CG2-CD1 3.86Å; T415-L419 HydrophobicContact CG2-CG 4.42Å; T415-L419 VanDerWaalsContact O-CB 3.26Å; T415-L419 WeakPolarHBondContact O-CB 3.49Å; T415-L419 WeakPolarHBondContact O-CD1 3.29Å; T415-L419 WeakPolarHBondContact O-CG 3.18Å; T415-L419 PolarHBondContact O-N 3.42Å; I416-L419 PolarHBondContact O-N 2.76Å; L419-G421 VanDerWaalsContact C-N 3.33Å; L419-L422 PolarHBondContact O-N 3.37Å; L419-T423 WeakPolarHBondContact O-CB 3.43Å; L419-T423 WeakPolarHBondContact O-CG2 3.32Å; L419-T423 PolarHBondContact O-N 3.13Å; L419-T423 VanDerWaalsContact O-N 3.09Å; L419-T423 PolarHBondContact O-OG1 2.69Å; L419-L428 HydrophobicContact CB-CD2 4.02Å; L419-L428 HydrophobicContact CD1-CD2 4.16Å; L419-I440 HydrophobicContact CD1-CG2 4.06Å
420	K	63.6	Low	63.5	Low	69 Å²	69	63.8 Å²	63.8	30%	0.3	34%	0.341	S	S	.	.	H	α-helix	trans	-70.1	-27	174.5	-76.3	-171	172.6	-172	0	113.3	N342 I416 L417 E418 T423 G426	N342-K420 PolarHBondContact ND2-O 3.06Å; I416-K420 HydrophobicContact CG2-CD 4.07Å; I416-K420 HydrophobicContact CG2-CG 4.26Å; I416-K420 WeakPolarHBondContact O-CB 3.27Å; I416-K420 WeakPolarHBondContact O-CG 3.45Å; I416-K420 PolarHBondContact O-N 2.88Å; L417-K420 PolarHBondContact O-N 3.27Å; E418-K420 VanDerWaalsContact C-N 3.27Å; E418-K420 PolarHBondContact O-N 2.9Å; K420-T423 WeakPolarHBondContact CA-OG1 3.36Å; K420-G426 WeakPolarHBondContact CD-O 3.33Å; K420-G426 VanDerWaalsContact CE-O 3.28Å; K420-G426 WeakPolarHBondContact CE-O 3.3Å; K420-G426 VanDerWaalsContact CG-O 3.25Å; K420-G426 WeakPolarHBondContact CG-O 3.37Å
421	G	63.1	Low	62.7	Low	36 Å²	36	61.7 Å²	61.7	37%	0.371	35%	0.348	S	S	.	.	H	α-helix	trans	-78	-32.3	174.6	0	0	0	0	0	112.9	L417 E418 L419	L417-G421 PolarHBondContact O-N 2.77Å; E418-G421 WeakPolarHBondContact O-CA 3.3Å; E418-G421 PolarHBondContact O-N 2.82Å; L419-G421 VanDerWaalsContact C-N 3.33Å
422	L	54.8	Low	62	Low	61 Å²	61	56.7 Å²	56.7	32%	0.319	33%	0.325	S	S	.	.	H	α-helix	trans	-79.4	-21.8	175.6	-66.4	175.8	0	0	0	113.1	E418 L419 N465	E418-L422 WeakPolarHBondContact O-CG 3.11Å; E418-L422 PolarHBondContact O-N 2.87Å; L419-L422 PolarHBondContact O-N 3.37Å; L422-N465 PolarHBondContact O-ND2 3.3Å; L422-N465 PolarHBondContact O-OD1 2.93Å
423	T	55.5	Low	61.5	Low	47 Å²	47	58.4 Å²	58.4	29%	0.288	33%	0.334	S	S	.	.	S	Bend	trans	-97.5	121.1	178.1	52.1	0	0	0	0	110.3	L419 K420 T425 G426	L419-T423 WeakPolarHBondContact O-CB 3.43Å; L419-T423 WeakPolarHBondContact O-CG2 3.32Å; L419-T423 PolarHBondContact O-N 3.13Å; L419-T423 VanDerWaalsContact O-N 3.09Å; L419-T423 PolarHBondContact O-OG1 2.69Å; K420-T423 WeakPolarHBondContact CA-OG1 3.36Å; T423-T425 PolarHBondContact O-N 3.46Å; T423-T425 VanDerWaalsContact O-N 3.11Å; T423-G426 PolarHBondContact O-N 3.39Å
424	P	50.8	Low	61.3	Low	28 Å²	28	60.2 Å²	60.2	18%	0.182	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.7	-175	-28.6	39.8	0	0	0	114.1	Y156 F157	Y156-P424 HydrophobicContact CD1-CB 3.89Å; Y156-P424 HydrophobicContact CD1-CG 4Å; Y156-P424 HydrophobicContact CE1-CB 3.67Å; Y156-P424 HydrophobicContact CE1-CG 3.37Å; Y156-P424 HydrophobicContact CE2-CB 4.4Å; Y156-P424 HydrophobicContact CG-CB 4.4Å; Y156-P424 WeakPolarHBondContact O-CB 3.5Å; F157-P424 HydrophobicContact CD1-CB 4.02Å; F157-P424 HydrophobicContact CD1-CG 3.81Å; F157-P424 HydrophobicContact CE1-CB 4.33Å; F157-P424 HydrophobicContact CE1-CG 3.66Å
425	T	55.3	Low	61.3	Low	97 Å²	97	55.5 Å²	55.5	60%	0.595	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.6	176	60.8	0	0	0	0	114	T423 M427	T423-T425 PolarHBondContact O-N 3.46Å; T423-T425 VanDerWaalsContact O-N 3.11Å; T425-M427 PolarHBondContact O-N 2.98Å; T425-M427 VanDerWaalsContact O-N 3.08Å; T425-M427 PolarHBondContact OG1-N 2.8Å
426	G	61.6	Low	61.6	Low	11 Å²	11	55.1 Å²	55.1	11%	0.113	34%	0.342	C	S	.	.			trans	59.3	16	-171.6	0	0	0	0	0	114.6	N342 K420 T423	N342-G426 VanDerWaalsContact ND2-CA 3.33Å; N342-G426 WeakPolarHBondContact ND2-CA 3.33Å; K420-G426 WeakPolarHBondContact CD-O 3.33Å; K420-G426 VanDerWaalsContact CE-O 3.28Å; K420-G426 WeakPolarHBondContact CE-O 3.3Å; K420-G426 VanDerWaalsContact CG-O 3.25Å; K420-G426 WeakPolarHBondContact CG-O 3.37Å; T423-G426 PolarHBondContact O-N 3.39Å
427	M	61	Low	61.8	Low	120 Å²	120	61 Å²	61	59%	0.591	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-99.7	128.8	-177.5	-70.8	-144.3	69	0	0	111.7	T425	T425-M427 PolarHBondContact O-N 2.98Å; T425-M427 VanDerWaalsContact O-N 3.08Å; T425-M427 PolarHBondContact OG1-N 2.8Å
428	L	60.1	Low	61.9	Low	32 Å²	32	65.3 Å²	65.3	17%	0.168	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-80	147.7	168.2	-65.4	173.6	0	0	0	110.5	I416 L419 L433	I416-L428 HydrophobicContact CB-CD1 4.42Å; I416-L428 HydrophobicContact CD1-CD1 4.35Å; I416-L428 HydrophobicContact CG1-CD1 3.97Å; I416-L428 HydrophobicContact CG2-CD1 3.8Å; L419-L428 HydrophobicContact CB-CD2 4.02Å; L419-L428 HydrophobicContact CD1-CD2 4.16Å; L428-L433 HydrophobicContact CD1-CD2 3.98Å; L428-L433 HydrophobicContact CD1-CG 4.36Å
429	P	54.6	Low	62.2	Low	69 Å²	69	61.9 Å²	61.9	45%	0.448	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-54.5	143.8	171.8	-27.5	37	0	0	0	113.2	G431 A432 V443	P429-G431 PolarHBondContact O-N 3.21Å; P429-A432 VanDerWaalsContact O-CB 3.27Å; P429-A432 WeakPolarHBondContact O-CB 3.41Å; P429-A432 PolarHBondContact O-N 2.88Å; P429-V443 HydrophobicContact CB-CG1 4.48Å; P429-V443 HydrophobicContact CB-CG2 4.17Å; P429-V443 HydrophobicContact CG-CB 4.48Å; P429-V443 HydrophobicContact CG-CG1 3.54Å; P429-V443 HydrophobicContact CG-CG2 4.09Å
430	L	55.4	Low	62.5	Low	187 Å²	187	60.7 Å²	60.7	98%	0.979	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	128.9	-179.1	-154.2	82	0	0	0	110.3
431	G	61.8	Low	62.5	Low	47 Å²	47	61 Å²	61	49%	0.485	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-11.7	-179.5	0	0	0	0	0	115.4	P429 L433 A434 G435	P429-G431 PolarHBondContact O-N 3.21Å; G431-L433 VanDerWaalsContact C-N 3.28Å; G431-L433 PolarHBondContact O-N 3.35Å; G431-A434 PolarHBondContact O-N 3.3Å; G431-A434 VanDerWaalsContact O-N 3.07Å; G431-G435 PolarHBondContact O-N 3.49Å; G431-G435 VanDerWaalsContact O-N 3.11Å
432	A	63.7	Low	62.6	Low	4 Å²	4	62.9 Å²	62.9	3%	0.033	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-43.2	179.3	0	0	0	0	0	112.6	P429 A439 V443	P429-A432 VanDerWaalsContact O-CB 3.27Å; P429-A432 WeakPolarHBondContact O-CB 3.41Å; P429-A432 PolarHBondContact O-N 2.88Å; A432-A439 WeakPolarHBondContact O-CB 3.49Å; A432-V443 HydrophobicContact CB-CG2 4.06Å
433	L	66	Low	62.8	Low	50 Å²	50	63.1 Å²	63.1	26%	0.262	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-33.1	179.1	-60.1	175.8	0	0	0	113.1	L409 I416 L428 G431 G436 I440	L409-L433 HydrophobicContact CD2-CD1 3.57Å; L409-L433 HydrophobicContact CD2-CD2 3.61Å; L409-L433 HydrophobicContact CD2-CG 4.23Å; L409-L433 HydrophobicContact CG-CD1 4.14Å; L409-L433 HydrophobicContact CG-CD2 4.22Å; I416-L433 HydrophobicContact CD1-CD2 3.71Å; L428-L433 HydrophobicContact CD1-CD2 3.98Å; L428-L433 HydrophobicContact CD1-CG 4.36Å; G431-L433 VanDerWaalsContact C-N 3.28Å; G431-L433 PolarHBondContact O-N 3.35Å; L433-G436 PolarHBondContact O-N 2.89Å; L433-I440 HydrophobicContact CD2-CD1 4.18Å
434	A	67	Low	62.9	Low	84 Å²	84	62 Å²	62	69%	0.694	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-33.3	-178.4	0	0	0	0	0	112	G431 G436	G431-A434 PolarHBondContact O-N 3.3Å; G431-A434 VanDerWaalsContact O-N 3.07Å; A434-G436 PolarHBondContact O-N 3.01Å
435	G	67.6	Low	62.9	Low	47 Å²	47	62.8 Å²	62.8	49%	0.485	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.5	174.4	0	0	0	0	0	114.4	G431	G431-G435 PolarHBondContact O-N 3.49Å; G431-G435 VanDerWaalsContact O-N 3.11Å
436	G	71.6	Confident	62.3	Low	7 Å²	7	65 Å²	65	7%	0.072	40%	0.403	C	S	.	.	H	α-helix	trans	71.4	-161.9	179.7	0	0	0	0	0	113.5	L433 A434 E438 A439 I440	L433-G436 PolarHBondContact O-N 2.89Å; A434-G436 PolarHBondContact O-N 3.01Å; G436-E438 PolarHBondContact O-N 3.14Å; G436-E438 VanDerWaalsContact O-N 3.14Å; G436-A439 PolarHBondContact O-N 3.34Å; G436-I440 PolarHBondContact O-N 2.92Å; G436-I440 VanDerWaalsContact O-N 3.12Å
437	R	72.3	Confident	61.4	Low	131 Å²	131	66 Å²	66	49%	0.494	40%	0.403	S	S	.	.	H	α-helix	trans	-48.6	-42.3	-178.2	174	178.9	-87.8	-166	-6.3	113.3	E412 I440 K441	E412-R437 IonicContact OE1-CZ 2.65Å; E412-R437 IonicContact OE1-NE 3.33Å; E412-R437 PolarHBondContact OE1-NE 2.88Å; E412-R437 IonicContact OE1-NH2 3.85Å; E412-R437 PolarHBondContact OE1-NH2 2.94Å; E412-R437 IonicContact OE2-NE 3.38Å; R437-I440 PolarHBondContact O-N 3.39Å; R437-K441 HydrophobicContact CG-CD 4.22Å; R437-K441 HydrophobicContact CG-CG 4.48Å; R437-K441 WeakPolarHBondContact O-CG 3.37Å; R437-K441 PolarHBondContact O-N 3.5Å
438	E	70.4	Confident	60.6	Low	120 Å²	120	63.8 Å²	63.8	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-70.1	-34	-176.9	-60.8	-51.8	135.6	0	0	112.8	G436 K441 A442	G436-E438 PolarHBondContact O-N 3.14Å; G436-E438 VanDerWaalsContact O-N 3.14Å; E438-K441 PolarHBondContact O-N 3.08Å; E438-K441 IonicContact OE1-NZ 3.11Å; E438-K441 PolarHBondContact OE1-NZ 2.9Å; E438-K441 IonicContact OE2-NZ 3.89Å; E438-A442 VanDerWaalsContact O-CB 3.3Å; E438-A442 WeakPolarHBondContact O-CB 3.38Å; E438-A442 PolarHBondContact O-N 2.84Å
439	A	69.2	Low	60	Low	25 Å²	25	67.1 Å²	67.1	21%	0.207	42%	0.42	C	S	.	.	H	α-helix	trans	-72	-36	173.5	0	0	0	0	0	112.2	A432 G436 A442 V443	A432-A439 WeakPolarHBondContact O-CB 3.49Å; G436-A439 PolarHBondContact O-N 3.34Å; A439-A442 PolarHBondContact O-N 3.24Å; A439-V443 WeakPolarHBondContact O-CB 3.31Å; A439-V443 VanDerWaalsContact O-CG2 3.3Å; A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.25Å
440	I	66.3	Low	59.7	Low	3 Å²	3	68.5 Å²	68.5	2%	0.015	42%	0.421	C	S	.	.	H	α-helix	trans	-61.8	-46.1	172.2	-64.5	168.4	0	0	0	110	V408 E412 T415 I416 L419 L433 G436 R437 A442 V443 S444	V408-I440 HydrophobicContact CG1-CD1 3.65Å; E412-I440 HydrophobicContact CB-CD1 3.85Å; E412-I440 HydrophobicContact CG-CD1 3.89Å; T415-I440 HydrophobicContact CG2-CG2 3.85Å; I416-I440 HydrophobicContact CD1-CD1 4.14Å; I416-I440 HydrophobicContact CG1-CD1 4.4Å; L419-I440 HydrophobicContact CD1-CG2 4.06Å; L433-I440 HydrophobicContact CD2-CD1 4.18Å; G436-I440 PolarHBondContact O-N 2.92Å; G436-I440 VanDerWaalsContact O-N 3.12Å; R437-I440 PolarHBondContact O-N 3.39Å; I440-A442 PolarHBondContact O-N 3.43Å; I440-V443 PolarHBondContact O-N 3.12Å; I440-S444 WeakPolarHBondContact O-CB 3.46Å; I440-S444 PolarHBondContact O-N 3.07Å; I440-S444 PolarHBondContact O-OG 2.9Å; I440-S444 VanDerWaalsContact O-OG 3.14Å
441	K	65.1	Low	60.1	Low	74 Å²	74	68.3 Å²	68.3	32%	0.322	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-41	175.5	-75.8	176	-176.2	168.1	0	113.2	R437 E438 S444 G445 T446	R437-K441 HydrophobicContact CG-CD 4.22Å; R437-K441 HydrophobicContact CG-CG 4.48Å; R437-K441 WeakPolarHBondContact O-CG 3.37Å; R437-K441 PolarHBondContact O-N 3.5Å; E438-K441 PolarHBondContact O-N 3.08Å; E438-K441 IonicContact OE1-NZ 3.11Å; E438-K441 PolarHBondContact OE1-NZ 2.9Å; E438-K441 IonicContact OE2-NZ 3.89Å; K441-S444 VanDerWaalsContact C-OG 3.25Å; K441-S444 WeakPolarHBondContact CA-OG 3.35Å; K441-S444 CarbonylContact O-C 3.57Å; K441-S444 PolarHBondContact O-N 3.44Å; K441-S444 PolarHBondContact O-OG 3.39Å; K441-G445 PolarHBondContact O-N 2.87Å; K441-T446 PolarHBondContact O-N 3.37Å
442	A	63.8	Low	60.4	Low	77 Å²	77	67.8 Å²	67.8	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-42.1	178.5	0	0	0	0	0	111.2	E438 A439 I440 S444 G445	E438-A442 VanDerWaalsContact O-CB 3.3Å; E438-A442 WeakPolarHBondContact O-CB 3.38Å; E438-A442 PolarHBondContact O-N 2.84Å; A439-A442 PolarHBondContact O-N 3.24Å; I440-A442 PolarHBondContact O-N 3.43Å; A442-S444 VanDerWaalsContact C-N 3.33Å; A442-G445 PolarHBondContact O-N 3.35Å; A442-G445 VanDerWaalsContact O-N 3.16Å
443	V	59.5	Low	60.9	Low	65 Å²	65	75.2 Å²	75.2	39%	0.394	43%	0.432	S	S	.	.	H	α-helix	trans	-62.5	-41.3	172.9	162.7	0	0	0	0	111.5	P429 A432 A439 I440 G445	P429-V443 HydrophobicContact CB-CG1 4.48Å; P429-V443 HydrophobicContact CB-CG2 4.17Å; P429-V443 HydrophobicContact CG-CB 4.48Å; P429-V443 HydrophobicContact CG-CG1 3.54Å; P429-V443 HydrophobicContact CG-CG2 4.09Å; A432-V443 HydrophobicContact CB-CG2 4.06Å; A439-V443 WeakPolarHBondContact O-CB 3.31Å; A439-V443 VanDerWaalsContact O-CG2 3.3Å; A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.25Å; I440-V443 PolarHBondContact O-N 3.12Å; V443-G445 PolarHBondContact O-N 3.47Å
444	S	56.7	Low	61.8	Low	24 Å²	24	75.3 Å²	75.3	17%	0.168	44%	0.436	C	S	.	.	H	α-helix	trans	-74.5	-10.8	177.1	62.5	0	0	0	0	113.6	I440 K441 A442 W447	I440-S444 WeakPolarHBondContact O-CB 3.46Å; I440-S444 PolarHBondContact O-N 3.07Å; I440-S444 PolarHBondContact O-OG 2.9Å; I440-S444 VanDerWaalsContact O-OG 3.14Å; K441-S444 VanDerWaalsContact C-OG 3.25Å; K441-S444 WeakPolarHBondContact CA-OG 3.35Å; K441-S444 CarbonylContact O-C 3.57Å; K441-S444 PolarHBondContact O-N 3.44Å; K441-S444 PolarHBondContact O-OG 3.39Å; A442-S444 VanDerWaalsContact C-N 3.33Å; S444-W447 VanDerWaalsContact CB-CB 3.46Å; S444-W447 WeakPolarHBondContact OG-CB 3.41Å
445	G	50.9	Low	62.8	Low	44 Å²	44	72.3 Å²	72.3	45%	0.454	41%	0.407	S	S	.	.	S	Bend	trans	61	88.9	-176	0	0	0	0	0	112.2	K441 A442 V443 W447	K441-G445 PolarHBondContact O-N 2.87Å; A442-G445 PolarHBondContact O-N 3.35Å; A442-G445 VanDerWaalsContact O-N 3.16Å; V443-G445 PolarHBondContact O-N 3.47Å; G445-W447 PolarHBondContact O-N 3.45Å; G445-W447 VanDerWaalsContact O-N 3.07Å
446	T	44.4	Very low	63.8	Low	145 Å²	145	76.2 Å²	76.2	89%	0.89	41%	0.413	S	S	*	.	S	Bend	trans	49.5	40.2	175.9	48.2	0	0	0	0	113.5	K441 T448	K441-T446 PolarHBondContact O-N 3.37Å; T446-T448 PolarHBondContact O-N 3.48Å
447	W	42.6	Very low	64.3	Low	30 Å²	30	78 Å²	78	11%	0.114	42%	0.419	C	S	.	.			trans	-91.6	95.7	177.5	-165.5	85.4	0	0	0	108.4	T415 E418 S444 G445 P449 F461	T415-W447 HydrophobicContact CG2-CE3 3.65Å; T415-W447 HydrophobicContact CG2-CH2 4.24Å; T415-W447 HydrophobicContact CG2-CZ3 3.33Å; T415-W447 WeakPolarHBondContact OG1-CZ3 3.17Å; E418-W447 WeakPolarHBondContact OE2-CH2 3.5Å; E418-W447 WeakPolarHBondContact OE2-CZ2 3.43Å; S444-W447 VanDerWaalsContact CB-CB 3.46Å; S444-W447 WeakPolarHBondContact OG-CB 3.41Å; G445-W447 PolarHBondContact O-N 3.45Å; G445-W447 VanDerWaalsContact O-N 3.07Å; W447-P449 VanDerWaalsContact CH2-CA 3.5Å; W447-P449 HydrophobicContact CH2-CB 3.8Å; W447-P449 VanDerWaalsContact CZ3-CA 3.49Å; W447-P449 HydrophobicContact CZ3-CB 3.75Å; W447-F461 AromaticContact CD1-CE1 3.82Å; W447-F461 AromaticContact CD1-CZ 3.94Å
448	T	43.6	Very low	64.7	Low	75 Å²	75	71.8 Å²	71.8	46%	0.46	40%	0.396	S	S	.	.			trans	-62	146	147	32.5	0	0	0	0	107.4	T446 H450	T446-T448 PolarHBondContact O-N 3.48Å; T448-H450 WeakPolarHBondContact CB-ND1 3.5Å; T448-H450 PolarHBondContact O-N 3.04Å; T448-H450 PolarHBondContact OG1-CE1 3.07Å; T448-H450 PolarHBondContact OG1-ND1 2.89Å; T448-H450 PolarHBondContact OG1-NE2 2.73Å
449	P	46.9	Very low	65.4	Low	101 Å²	101	70.4 Å²	70.4	66%	0.656	39%	0.388	S	S	*	.			trans	-60	84.3	169.7	24.5	-31.6	0	0	0	108.5	W447	W447-P449 VanDerWaalsContact CH2-CA 3.5Å; W447-P449 HydrophobicContact CH2-CB 3.8Å; W447-P449 VanDerWaalsContact CZ3-CA 3.49Å; W447-P449 HydrophobicContact CZ3-CB 3.75Å
450	H	49.9	Very low	66	Low	99 Å²	99	72.5 Å²	72.5	46%	0.458	41%	0.406	S	S	.	.			trans	-95.7	100.7	177.8	-84	8.9	0	0	0	103.4	T448 I452	T448-H450 WeakPolarHBondContact CB-ND1 3.5Å; T448-H450 PolarHBondContact O-N 3.04Å; T448-H450 PolarHBondContact OG1-CE1 3.07Å; T448-H450 PolarHBondContact OG1-ND1 2.89Å; T448-H450 PolarHBondContact OG1-NE2 2.73Å; H450-I452 PolarHBondContact O-N 3.4Å
451	K	63	Low	66.5	Low	183 Å²	183	76 Å²	76	80%	0.796	42%	0.421	S	S	*	.			trans	-55.2	110.1	164.4	-176.7	176.8	-175.4	175.9	0	106.3	Q453	K451-Q453 WeakPolarHBondContact O-CG 3.38Å; K451-Q453 PolarHBondContact O-N 3.01Å; K451-Q453 VanDerWaalsContact O-N 3.15Å
452	I	67.2	Low	67.4	Low	36 Å²	36	72.5 Å²	72.5	19%	0.185	41%	0.406	C	S	.	.			trans	-47.5	121	178	-65.1	171.3	0	0	0	108.2	V311 H450 E457 A458 F461	V311-I452 HydrophobicContact CB-CB 4.45Å; V311-I452 HydrophobicContact CB-CD1 3.97Å; V311-I452 HydrophobicContact CB-CG2 4.46Å; V311-I452 HydrophobicContact CG1-CD1 4.31Å; V311-I452 HydrophobicContact CG2-CD1 4.02Å; H450-I452 PolarHBondContact O-N 3.4Å; I452-E457 WeakPolarHBondContact CA-OE2 3.45Å; I452-E457 HydrophobicContact CG1-CG 4.49Å; I452-E457 HydrophobicContact CG2-CB 4.21Å; I452-E457 HydrophobicContact CG2-CG 4.2Å; I452-A458 HydrophobicContact CG2-CB 3.67Å; I452-F461 HydrophobicContact CD1-CD2 4.03Å; I452-F461 HydrophobicContact CG1-CD2 3.98Å; I452-F461 HydrophobicContact CG1-CE2 4.21Å
453	Q	75	Confident	68.4	Low	160 Å²	160	74.2 Å²	74.2	75%	0.748	40%	0.399	S	S	*	.			trans	-101.4	-26	-169.5	-57.4	-169	5.6	0	0	113.1	K451 E457	K451-Q453 WeakPolarHBondContact O-CG 3.38Å; K451-Q453 PolarHBondContact O-N 3.01Å; K451-Q453 VanDerWaalsContact O-N 3.15Å; Q453-E457 PolarHBondContact N-OE2 2.93Å
454	C	84.3	Confident	69.4	Low	51 Å²	51	75.7 Å²	75.7	35%	0.345	41%	0.408	S	S	.	.	S	Bend	trans	-145	167.7	-176.1	71.9	0	0	0	0	113.2	E456 E457 A458	C454-E456 PolarHBondContact O-N 3.5Å; C454-E456 PolarHBondContact SG-OE2 2.87Å; C454-E457 PolarHBondContact O-N 3.47Å; C454-A458 PolarHBondContact O-N 3.29Å; C454-A458 VanDerWaalsContact O-N 3.1Å
455	F	88.5	Confident	70.9	Confident	21 Å²	21	75 Å²	75	9%	0.092	40%	0.403	C	S	.	.	H	α-helix	trans	-56.2	-44.8	179.3	178.4	-96	0	0	0	113.1	A280 D282 Y312 N314 E457 A458 K459	A280-F455 HydrophobicContact CB-CE2 4.23Å; A280-F455 HydrophobicContact CB-CZ 4.28Å; A280-F455 WeakPolarHBondContact O-CZ 3.02Å; D282-F455 HydrophobicContact CB-CB 4.28Å; D282-F455 HydrophobicContact CB-CD1 3.87Å; D282-F455 HydrophobicContact CB-CD2 4.05Å; D282-F455 HydrophobicContact CB-CE1 4.21Å; D282-F455 HydrophobicContact CB-CE2 4.34Å; D282-F455 HydrophobicContact CB-CG 3.79Å; D282-F455 HydrophobicContact CB-CZ 4.43Å; Y312-F455 AromaticContact CD1-CD2 3.71Å; Y312-F455 HydrophobicContact CD1-CD2 3.71Å; Y312-F455 AromaticContact CD1-CE2 3.56Å; Y312-F455 HydrophobicContact CD1-CE2 3.56Å; Y312-F455 HydrophobicContact CD1-CZ 4.38Å; Y312-F455 HydrophobicContact CE1-CE2 4.17Å; Y312-F455 WeakPolarHBondContact O-CA 3.35Å; N314-F455 HydrophobicContact CB-CD2 3.74Å; N314-F455 HydrophobicContact CB-CE2 3.9Å; F455-E457 VanDerWaalsContact C-N 3.32Å; F455-E457 PolarHBondContact O-N 3.36Å; F455-A458 PolarHBondContact O-N 3.06Å; F455-K459 HydrophobicContact CE1-CD 4.16Å; F455-K459 HydrophobicContact CZ-CD 4.48Å; F455-K459 WeakPolarHBondContact O-CB 3.33Å; F455-K459 PolarHBondContact O-N 3.48Å
456	E	89.4	Confident	72.8	Confident	129 Å²	129	74.8 Å²	74.8	60%	0.603	39%	0.389	S	S	*	.	H	α-helix	trans	-63.9	-38	-179.1	-67.3	81.3	-173.1	0	0	112.4	C454 A460	C454-E456 PolarHBondContact O-N 3.5Å; C454-E456 PolarHBondContact SG-OE2 2.87Å; E456-A460 WeakPolarHBondContact O-CB 3.36Å; E456-A460 PolarHBondContact O-N 3.05Å
457	E	81.4	Confident	75	Confident	44 Å²	44	73.6 Å²	73.6	21%	0.206	37%	0.369	C	S	.	.	H	α-helix	trans	-66.5	-47.2	177.1	-175.7	176.8	-164.4	0	0	110.5	I452 Q453 C454 F455 K459 A460 F461	I452-E457 WeakPolarHBondContact CA-OE2 3.45Å; I452-E457 HydrophobicContact CG1-CG 4.49Å; I452-E457 HydrophobicContact CG2-CB 4.21Å; I452-E457 HydrophobicContact CG2-CG 4.2Å; Q453-E457 PolarHBondContact N-OE2 2.93Å; C454-E457 PolarHBondContact O-N 3.47Å; F455-E457 VanDerWaalsContact C-N 3.32Å; F455-E457 PolarHBondContact O-N 3.36Å; E457-K459 PolarHBondContact O-N 3.4Å; E457-A460 PolarHBondContact O-N 3.37Å; E457-A460 VanDerWaalsContact O-N 3.16Å; E457-F461 HydrophobicContact CG-CD2 3.82Å; E457-F461 HydrophobicContact CG-CE2 3.57Å; E457-F461 WeakPolarHBondContact O-CD2 3.34Å; E457-F461 PolarHBondContact O-N 3.18Å
458	A	80.4	Confident	77.4	Confident	2 Å²	2	74 Å²	74	2%	0.017	37%	0.372	C	S	.	.	H	α-helix	trans	-56.9	-48.8	176	0	0	0	0	0	111.8	V311 Y312 I452 C454 F455 A460 F461 D462	V311-A458 HydrophobicContact CG2-CB 4.35Å; Y312-A458 HydrophobicContact CD1-CB 3.96Å; Y312-A458 HydrophobicContact CD2-CB 3.59Å; Y312-A458 HydrophobicContact CE1-CB 4.31Å; Y312-A458 HydrophobicContact CE2-CB 3.98Å; Y312-A458 HydrophobicContact CG-CB 3.62Å; I452-A458 HydrophobicContact CG2-CB 3.67Å; C454-A458 PolarHBondContact O-N 3.29Å; C454-A458 VanDerWaalsContact O-N 3.1Å; F455-A458 PolarHBondContact O-N 3.06Å; A458-A460 VanDerWaalsContact C-N 3.29Å; A458-A460 PolarHBondContact O-N 3.29Å; A458-F461 PolarHBondContact O-N 3.4Å; A458-D462 VanDerWaalsContact O-CB 3.31Å; A458-D462 WeakPolarHBondContact O-CB 3.44Å; A458-D462 PolarHBondContact O-N 2.79Å
459	K	85	Confident	79.6	Confident	91 Å²	91	70.8 Å²	70.8	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-37.4	177.8	-173.3	175.1	-177.3	172.3	0	112.3	Y312 F455 E457 K463	Y312-K459 HydrophobicContact CE1-CB 3.93Å; F455-K459 HydrophobicContact CE1-CD 4.16Å; F455-K459 HydrophobicContact CZ-CD 4.48Å; F455-K459 WeakPolarHBondContact O-CB 3.33Å; F455-K459 PolarHBondContact O-N 3.48Å; E457-K459 PolarHBondContact O-N 3.4Å; K459-K463 PolarHBondContact O-N 3.02Å
460	A	83	Confident	81.4	Confident	69 Å²	69	70.7 Å²	70.7	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-67.8	-44.4	178.3	0	0	0	0	0	112	E456 E457 A458 D462 K463	E456-A460 WeakPolarHBondContact O-CB 3.36Å; E456-A460 PolarHBondContact O-N 3.05Å; E457-A460 PolarHBondContact O-N 3.37Å; E457-A460 VanDerWaalsContact O-N 3.16Å; A458-A460 VanDerWaalsContact C-N 3.29Å; A458-A460 PolarHBondContact O-N 3.29Å; A460-D462 VanDerWaalsContact C-N 3.27Å; A460-D462 PolarHBondContact O-N 3.09Å; A460-K463 WeakPolarHBondContact O-CB 3.35Å
461	F	76.1	Confident	82.6	Confident	75 Å²	75	72.7 Å²	72.7	33%	0.329	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-37.9	175.7	-84.1	-68.1	0	0	0	112.2	W447 I452 E457 A458	W447-F461 AromaticContact CD1-CE1 3.82Å; W447-F461 AromaticContact CD1-CZ 3.94Å; I452-F461 HydrophobicContact CD1-CD2 4.03Å; I452-F461 HydrophobicContact CG1-CD2 3.98Å; I452-F461 HydrophobicContact CG1-CE2 4.21Å; E457-F461 HydrophobicContact CG-CD2 3.82Å; E457-F461 HydrophobicContact CG-CE2 3.57Å; E457-F461 WeakPolarHBondContact O-CD2 3.34Å; E457-F461 PolarHBondContact O-N 3.18Å; A458-F461 PolarHBondContact O-N 3.4Å
462	D	83.7	Confident	82.5	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.011	36%	0.356	C	S	.	.	H	α-helix	trans	-86	-9.4	-172.4	-160.2	35	0	0	0	114.7	R119 L309 Y312 A458 A460 V464 N465 E466	R119-D462 IonicContact CZ-OD1 3.86Å; R119-D462 IonicContact NH1-OD1 3.57Å; R119-D462 IonicContact NH2-OD1 3.58Å; R119-D462 PolarHBondContact NH2-OD1 3.11Å; R119-D462 IonicContact NH2-OD2 3.11Å; R119-D462 PolarHBondContact NH2-OD2 3.04Å; L309-D462 WeakPolarHBondContact CD1-OD2 3.41Å; Y312-D462 HydrophobicContact CE2-CB 4.07Å; Y312-D462 WeakPolarHBondContact OH-CB 3.49Å; Y312-D462 PolarHBondContact OH-OD2 3.45Å; A458-D462 VanDerWaalsContact O-CB 3.31Å; A458-D462 WeakPolarHBondContact O-CB 3.44Å; A458-D462 PolarHBondContact O-N 2.79Å; A460-D462 VanDerWaalsContact C-N 3.27Å; A460-D462 PolarHBondContact O-N 3.09Å; D462-V464 PolarHBondContact O-N 2.77Å; D462-N465 WeakPolarHBondContact O-CA 3.4Å; D462-N465 WeakPolarHBondContact O-CB 3.26Å; D462-N465 PolarHBondContact O-N 3.09Å; D462-N465 WeakPolarHBondContact OD1-CB 3.39Å; D462-N465 PolarHBondContact OD1-ND2 3Å; D462-E466 PolarHBondContact O-N 3.35Å
463	K	85	Confident	81.6	Confident	112 Å²	112	74.5 Å²	74.5	49%	0.487	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-28.5	-176.4	-173.3	174.5	-177.9	174.3	0	114.5	K459 A460	K459-K463 PolarHBondContact O-N 3.02Å; A460-K463 WeakPolarHBondContact O-CB 3.35Å
464	V	81.3	Confident	80	Confident	96 Å²	96	76 Å²	76	58%	0.582	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-34.3	176.2	67.9	0	0	0	0	112.6	D462 E466 R467	D462-V464 PolarHBondContact O-N 2.77Å; V464-E466 VanDerWaalsContact C-N 3.33Å; V464-R467 WeakPolarHBondContact O-CB 3.36Å; V464-R467 PolarHBondContact O-N 3.09Å
465	N	86.9	Confident	77.8	Confident	11 Å²	11	80.9 Å²	80.9	6%	0.059	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.2	178.3	-64	-41.2	0	0	0	112.3	F157 L422 D462 R467	F157-N465 HydrophobicContact CE1-CB 4.13Å; F157-N465 HydrophobicContact CZ-CB 4.34Å; F157-N465 WeakPolarHBondContact CZ-O 3.42Å; L422-N465 PolarHBondContact O-ND2 3.3Å; L422-N465 PolarHBondContact O-OD1 2.93Å; D462-N465 WeakPolarHBondContact O-CA 3.4Å; D462-N465 WeakPolarHBondContact O-CB 3.26Å; D462-N465 PolarHBondContact O-N 3.09Å; D462-N465 WeakPolarHBondContact OD1-CB 3.39Å; D462-N465 PolarHBondContact OD1-ND2 3Å; N465-R467 PolarHBondContact O-N 3.13Å
466	E	90.5	Very high	75.4	Confident	38 Å²	38	83.2 Å²	83.2	18%	0.178	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.4	172.2	-65.4	-59.2	128.8	0	0	113	R251 D462 V464	R251-E466 WeakPolarHBondContact CD-O 3.48Å; R251-E466 IonicContact CZ-OE2 3.56Å; R251-E466 PolarHBondContact NH1-O 3.38Å; R251-E466 IonicContact NH1-OE2 3.6Å; R251-E466 PolarHBondContact NH1-OE2 3.18Å; R251-E466 IonicContact NH2-OE2 2.82Å; D462-E466 PolarHBondContact O-N 3.35Å; V464-E466 VanDerWaalsContact C-N 3.33Å
467	R	92.3	Very high	72.6	Confident	120 Å²	120	86.1 Å²	86.1	45%	0.453	44%	0.441	S	S	.	.	S	Bend	trans	-83.3	150.7	178.2	-76.4	175	167.4	-166.6	-6.7	112.5	T249 V250 R251 V464 N465 P469	T249-R467 PolarHBondContact O-NH2 3.34Å; V250-R467 WeakPolarHBondContact O-CG 3.46Å; V250-R467 PolarHBondContact O-NE 3.12Å; R251-R467 CarbonylContact O-C 3.6Å; R251-R467 WeakPolarHBondContact O-CA 3.43Å; V464-R467 WeakPolarHBondContact O-CB 3.36Å; V464-R467 PolarHBondContact O-N 3.09Å; N465-R467 PolarHBondContact O-N 3.13Å; R467-P469 VanDerWaalsContact O-CD 3.25Å; R467-P469 WeakPolarHBondContact O-CD 3.44Å
468	M	92.6	Very high	70.1	Confident	39 Å²	39	94.5 Å²	94.5	19%	0.192	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-58.7	120.6	160.8	-173.8	173.8	-74.6	0	0	108.6	A220 W229 R251 C253	A220-M468 HydrophobicContact CB-SD 4.2Å; W229-M468 HydrophobicContact CD2-CE 4.11Å; W229-M468 HydrophobicContact CG-CE 4.36Å; W229-M468 HydrophobicContact CH2-CB 3.97Å; W229-M468 HydrophobicContact CZ2-CB 4.3Å; W229-M468 HydrophobicContact CZ2-CE 4.01Å; W229-M468 HydrophobicContact CZ2-CG 4.43Å; W229-M468 HydrophobicContact CZ3-CB 4.21Å; R251-M468 PolarHBondContact O-N 3.31Å; C253-M468 HydrophobicContact CB-CB 4.28Å; C253-M468 HydrophobicContact CB-CE 3.68Å; C253-M468 HydrophobicContact CB-SD 3.84Å; C253-M468 WeakPolarHBondContact SG-CE 3.48Å
469	P	88.9	Confident	67.8	Low	8 Å²	8	98.9 Å²	98.9	5%	0.052	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-61.4	151.6	179.1	-23.4	34.2	0	0	0	111	H152 Y156 F157 R467	H152-P469 PolarHBondContact CE1-O 3.09Å; H152-P469 PolarHBondContact NE2-O 3.27Å; Y156-P469 HydrophobicContact CD1-CB 3.62Å; Y156-P469 HydrophobicContact CD1-CG 3.21Å; Y156-P469 HydrophobicContact CD2-CB 3.72Å; Y156-P469 HydrophobicContact CD2-CG 4.23Å; Y156-P469 HydrophobicContact CE1-CB 3.76Å; Y156-P469 HydrophobicContact CE1-CG 3.59Å; Y156-P469 HydrophobicContact CE2-CB 3.94Å; Y156-P469 HydrophobicContact CG-CB 3.57Å; Y156-P469 HydrophobicContact CG-CG 3.56Å; F157-P469 HydrophobicContact CE2-CG 4.36Å; R467-P469 VanDerWaalsContact O-CD 3.25Å; R467-P469 WeakPolarHBondContact O-CD 3.44Å
470	P	84.5	Confident	64.9	Low	98 Å²	98	105.5 Å²	105.5	64%	0.636	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-62.3	144.5	171.2	27.8	-33.5	0	0	0	110.2	L472	P470-L472 PolarHBondContact O-N 3.46Å
471	H	75.6	Confident	62.3	Low	141 Å²	141	107.5 Å²	107.5	65%	0.653	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-60.7	129.8	166.7	-89.8	-70.3	0	0	0	109	H152 D473	H152-H471 AromaticContact CE1-ND1 3.96Å; H152-H471 AromaticContact ND1-CE1 3.86Å; H152-H471 AromaticContact ND1-ND1 3.83Å; H471-D473 PolarHBondContact O-N 3.4Å; H471-D473 VanDerWaalsContact O-N 3.09Å
472	L	61.5	Low	60	Low	129 Å²	129	112.7 Å²	112.7	68%	0.675	55%	0.549	S	S	*	.			trans	-62.6	113.3	171.7	-68.2	168.7	0	0	0	108	P470 M474	P470-L472 PolarHBondContact O-N 3.46Å; L472-M474 PolarHBondContact O-N 3.44Å
473	D	47.1	Very low	57.3	Low	128 Å²	128	117.4 Å²	117.4	68%	0.684	58%	0.582	S	S	*	*			trans	-55.1	126.3	166.1	-84.3	-26.3	0	0	0	107.1	H471 N475 S476	H471-D473 PolarHBondContact O-N 3.4Å; H471-D473 VanDerWaalsContact O-N 3.09Å; D473-N475 PolarHBondContact O-N 3.22Å; D473-S476 PolarHBondContact O-N 3.01Å; D473-S476 PolarHBondContact O-OG 3.28Å
474	M	42.1	Very low	54.5	Low	193 Å²	193	116.9 Å²	116.9	95%	0.951	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-13	177.2	-68.9	-142	74.5	0	0	113.4	L472	L472-M474 PolarHBondContact O-N 3.44Å
475	N	37.5	Very low	51.9	Low	153 Å²	153	118.9 Å²	118.9	82%	0.818	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-9.4	174.1	-77.4	-13.2	0	0	0	115	D473 K477	D473-N475 PolarHBondContact O-N 3.22Å; N475-K477 PolarHBondContact O-N 3.04Å
476	S	39.8	Very low	49	Very low	69 Å²	69	124.2 Å²	124.2	48%	0.483	64%	0.638	S	S	.	*	S	Bend	trans	-73.5	95.9	170.4	73.1	0	0	0	0	108.2	D473 R478	D473-S476 PolarHBondContact O-N 3.01Å; D473-S476 PolarHBondContact O-OG 3.28Å; S476-R478 PolarHBondContact O-N 3.39Å
477	K	29.3	Very low	45.9	Very low	191 Å²	191	126.7 Å²	126.7	83%	0.83	66%	0.659	S	S	*	*			trans	-44.7	125.3	178.4	-70	179.3	176.1	178.3	0	110.2	N475 C479	N475-K477 PolarHBondContact O-N 3.04Å; K477-C479 PolarHBondContact O-N 3.29Å
478	R	29.9	Very low	42.6	Very low	220 Å²	220	128.3 Å²	128.3	83%	0.83	68%	0.675	S	S	*	*			trans	-52	101.7	163.2	-93.5	-179.4	174.6	-179.4	-2.1	107.6	S476 W480	S476-R478 PolarHBondContact O-N 3.39Å; R478-W480 PolarHBondContact O-N 3.1Å
479	C	30.8	Very low	39.5	Very low	94 Å²	94	133.5 Å²	133.5	64%	0.635	70%	0.704	S	S	*	*			trans	-71.5	99.1	170.8	-94.7	0	0	0	0	107.4	K477	K477-C479 PolarHBondContact O-N 3.29Å
480	W	24.7	Very low	36.4	Very low	230 Å²	230	138 Å²	138	87%	0.871	73%	0.732	S	S	*	*			trans	76	106.3	167.5	-57.8	87.5	0	0	0	116.6	R478	R478-W480 PolarHBondContact O-N 3.1Å
481	P	28.9	Very low	33.6	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	74%	0.736	S	S	*	*			trans	-68.7	134.9	157.9	18.7	-8	0	0	0	108.4	S483	P481-S483 PolarHBondContact O-N 3.03Å
482	Y	26.1	Very low	31.3	Very low	185 Å²	185	139.8 Å²	139.8	73%	0.725	74%	0.74	S	S	*	*			trans	-44.4	107.9	165.9	-124.7	-99.8	0	0	0	108.6	S484	Y482-S484 PolarHBondContact O-N 2.95Å
483	S	27.7	Very low	29.5	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	75%	0.749	S	S	*	*			trans	-71.9	98.1	173.6	-171	0	0	0	0	106.5	P481 T485	P481-S483 PolarHBondContact O-N 3.03Å; S483-T485 PolarHBondContact O-N 2.94Å; S483-T485 VanDerWaalsContact O-N 3.12Å
484	S	26.9	Very low	28.4	Very low	101 Å²	101	145 Å²	145	71%	0.706	76%	0.757	S	S	*	*			trans	-49.6	119	168.1	49.5	0	0	0	0	108.2	Y482 T486	Y482-S484 PolarHBondContact O-N 2.95Å; S484-T486 PolarHBondContact O-N 3.2Å
485	T	25.9	Very low	27.5	Very low	138 Å²	138	144.6 Å²	144.6	85%	0.847	75%	0.753	S	S	*	*			trans	-46.6	112.4	-178.6	-36.2	0	0	0	0	109.6	S483 S487	S483-T485 PolarHBondContact O-N 2.94Å; S483-T485 VanDerWaalsContact O-N 3.12Å; T485-S487 PolarHBondContact O-N 3.46Å
486	T	26.3	Very low	27	Very low	123 Å²	123	144.1 Å²	144.1	76%	0.755	75%	0.75	S	S	*	*			trans	-58.2	107.5	178.4	-41.8	0	0	0	0	108.4	S484 I488	S484-T486 PolarHBondContact O-N 3.2Å; T486-I488 PolarHBondContact O-N 3.26Å
487	S	25.8	Very low	26.1	Very low	89 Å²	89	150.3 Å²	150.3	62%	0.622	77%	0.768	S	S	*	*			trans	-56.6	117.8	170	48.2	0	0	0	0	109	T485 N489	T485-S487 PolarHBondContact O-N 3.46Å; S487-N489 VanDerWaalsContact C-N 3.32Å; S487-N489 PolarHBondContact O-N 3.33Å
488	I	23.2	Very low	26	Very low	155 Å²	155	149.1 Å²	149.1	80%	0.795	77%	0.771	S	S	*	*			trans	-64.8	94.5	167.7	-61.9	167.1	0	0	0	106.5	T486	T486-I488 PolarHBondContact O-N 3.26Å
489	N	26.4	Very low	25.7	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	77%	0.765	S	S	*	*			trans	-104.9	101.2	166.9	-94.5	-5.4	0	0	0	108.3	S487	S487-N489 VanDerWaalsContact C-N 3.32Å; S487-N489 PolarHBondContact O-N 3.33Å
490	T	24.9	Very low	25.3	Very low	104 Å²	104	145.7 Å²	145.7	64%	0.638	77%	0.77	S	S	*	*			trans	-61.3	128.8	156	47.6	0	0	0	0	109.5
491	N	25.2	Very low	25.4	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	76%	0.764	S	S	*	*			trans	144.7	112.6	137.5	-70.7	-8.8	0	0	0	111.8
492	D	26.8	Very low	25.3	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	77%	0.766	S	S	*	*			trans	56.9	108.4	131.5	-55.5	-21.5	0	0	0	120
493	E	23.6	Very low	25.3	Very low	183 Å²	183	140.6 Å²	140.6	86%	0.855	77%	0.768	S	S	*	*				35	105.2	129.1	-64.4	-173.8	167.8	0	0	117.7
494	Q	24.8	Very low	25.2	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	77%	0.767	S	S	*	*			trans	-154.9	99.7	133.1	-112.2	166.5	19.3	0	0	109.9	N496	Q494-N496 PolarHBondContact O-N 3.07Å
495	E	23.4	Very low	25.2	Very low	185 Å²	185	144.4 Å²	144.4	86%	0.864	77%	0.769	S	S	*	*			trans	-56	115.4	158.7	-78.2	-174.3	134.3	0	0	108.8
496	N	26.2	Very low	25.1	Very low	142 Å²	142	144.6 Å²	144.6	76%	0.759	77%	0.765	S	S	*	*			trans	-136.1	103.6	157.4	-108.7	-26	0	0	0	109.4	Q494 L498	Q494-N496 PolarHBondContact O-N 3.07Å; N496-L498 PolarHBondContact O-N 3.42Å
497	K	22	Very low	25.1	Very low	199 Å²	199	150.2 Å²	150.2	87%	0.865	77%	0.772	S	S	*	*			trans	-58.1	117.2	166.7	-70.5	173.3	-179	174.5	0	109
498	L	26.3	Very low	25.1	Very low	167 Å²	167	154.6 Å²	154.6	87%	0.874	78%	0.783	S	S	*	*			trans	-131	118	158	-92.4	159.6	0	0	0	108.8	N496	N496-L498 PolarHBondContact O-N 3.42Å
499	S	23.2	Very low	25.5	Very low	101 Å²	101	152.9 Å²	152.9	71%	0.706	78%	0.782	S	S	*	*			trans	-74.1	154.5	-177.2	46.9	0	0	0	0	113.6
500	D	23.8	Very low	25.7	Very low	140 Å²	140	154 Å²	154	75%	0.749	79%	0.787	S	S	*	*			trans	59.8	104.9	150.4	-76.3	-27.6	0	0	0	120.1
501	S	26.2	Very low	25.9	Very low	106 Å²	106	155.2 Å²	155.2	74%	0.741	79%	0.794	S	S	*	*			trans	-149.3	76.9	138	66.7	0	0	0	0	110.3	I503	S501-I503 PolarHBondContact O-N 2.91Å; S501-I503 VanDerWaalsContact O-N 3.1Å
502	H	27.2	Very low	25.9	Very low	166 Å²	166	155.7 Å²	155.7	77%	0.769	80%	0.797	S	S	*	*			trans	-68.3	99.7	164.6	-87.8	-75.4	0	0	0	109.1	I504	H502-I504 PolarHBondContact O-N 3.25Å; H502-I504 VanDerWaalsContact O-N 3.1Å
503	I	25.6	Very low	26.1	Very low	146 Å²	146	156.8 Å²	156.8	75%	0.749	80%	0.802	S	S	*	*			trans	-74.2	97.1	171.5	-65.1	170.2	0	0	0	107.8	S501 I505	S501-I503 PolarHBondContact O-N 2.91Å; S501-I503 VanDerWaalsContact O-N 3.1Å; I503-I505 HydrophobicContact CG2-CG1 4.22Å; I503-I505 PolarHBondContact O-N 3.49Å
504	I	24.7	Very low	26.2	Very low	137 Å²	137	154.4 Å²	154.4	70%	0.703	80%	0.796	S	S	*	*			trans	-79	107.6	169.4	-66.4	169.6	0	0	0	107.4	H502 N506	H502-I504 PolarHBondContact O-N 3.25Å; H502-I504 VanDerWaalsContact O-N 3.1Å; I504-N506 PolarHBondContact O-N 2.83Å
505	I	26.6	Very low	26.2	Very low	145 Å²	145	152.9 Å²	152.9	74%	0.744	79%	0.794	S	S	*	*			trans	-77.6	102.6	171.4	-60.9	175.3	0	0	0	107.3	I503 R507	I503-I505 HydrophobicContact CG2-CG1 4.22Å; I503-I505 PolarHBondContact O-N 3.49Å; I505-R507 PolarHBondContact O-N 2.94Å
506	N	24.9	Very low	26.5	Very low	142 Å²	142	151.8 Å²	151.8	76%	0.759	79%	0.794	S	S	*	*			trans	-58.9	116.2	172.2	-78.1	-30.4	0	0	0	110	I504	I504-N506 PolarHBondContact O-N 2.83Å
507	R	25.8	Very low	26.4	Very low	241 Å²	241	149.2 Å²	149.2	91%	0.909	79%	0.786	S	S	*	*			trans	-87.6	107	164.7	-76.7	-179.6	172.3	-178.8	-2.6	107.8	I505	I505-R507 PolarHBondContact O-N 2.94Å
508	E	26.7	Very low	26.5	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.6	141	162.6	-81.4	-176	161.2	0	0	110.1
509	P	31	Very low	26.6	Very low	119 Å²	119	146.3 Å²	146.3	77%	0.773	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-89.2	123.1	-168.6	9.2	10.6	0	0	0	110.8	V511	P509-V511 PolarHBondContact O-N 3.46Å
510	L	30.6	Very low	26.7	Very low	170 Å²	170	148.1 Å²	148.1	89%	0.89	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.9	119	169.5	-79.6	148	0	0	0	109.6
511	V	28.7	Very low	26.9	Very low	130 Å²	130	147.2 Å²	147.2	79%	0.788	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72	129.5	174.2	175.7	0	0	0	0	108.8	P509 D513	P509-V511 PolarHBondContact O-N 3.46Å; V511-D513 PolarHBondContact O-N 3.4Å
512	N	26.4	Very low	27	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.7	119.1	173.1	-65.4	-33.8	0	0	0	109.5
513	D	30	Very low	27	Very low	164 Å²	164	145.1 Å²	145.1	88%	0.877	79%	0.793	S	S	*	*			trans	-113.6	108.2	157.8	-105.6	-26.6	0	0	0	108.1	V511	V511-D513 PolarHBondContact O-N 3.4Å
514	D	26.2	Very low	27.1	Very low	133 Å²	133	147 Å²	147	71%	0.711	80%	0.798	S	S	*	*			trans	-74.4	153.7	171	-79	-48.6	0	0	0	110.8
515	N	25.4	Very low	27.1	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	81%	0.805	S	S	*	*			trans	81.5	102.7	165.3	-50.7	-49.1	0	0	0	116.3
516	D	29.4	Very low	27.1	Very low	162 Å²	162	148.6 Å²	148.6	87%	0.866	81%	0.807	S	S	*	*				-153.4	148.4	102.4	-133.2	-20.7	0	0	0	112.8
517	S	23.3	Very low	27.2	Very low	87 Å²	87	148.2 Å²	148.2	61%	0.608	81%	0.81	S	S	*	*			trans	-107.7	168.9	-169.2	55.4	0	0	0	0	110.7
518	L	24.9	Very low	27.1	Very low	149 Å²	149	142.4 Å²	142.4	78%	0.78	80%	0.803	S	S	*	*			trans	84.9	102.4	172	-66.9	124.5	0	0	0	117.3
519	L	28.7	Very low	27.1	Very low	157 Å²	157	144.8 Å²	144.8	82%	0.822	80%	0.804	S	S	*	*				174	117.3	96.3	-86.1	170.2	0	0	0	108.6	P521	L519-P521 WeakPolarHBondContact O-CD 3.36Å
520	T	24.1	Very low	26.7	Very low	139 Å²	139	144.4 Å²	144.4	85%	0.853	80%	0.801	S	S	*	*			trans	-78.3	119	178.1	39.9	0	0	0	0	111
521	P	28.9	Very low	26.4	Very low	120 Å²	120	141.8 Å²	141.8	78%	0.779	80%	0.795	S	S	*	*			trans	-83.8	131.5	164.7	2.6	16.6	0	0	0	109.3	L519 S523	L519-P521 WeakPolarHBondContact O-CD 3.36Å; P521-S523 PolarHBondContact O-N 3.2Å
522	S	27.6	Very low	26.3	Very low	110 Å²	110	140 Å²	140	77%	0.769	79%	0.788	S	S	*	*			trans	-44.7	127.7	177.7	54	0	0	0	0	113.9	Q524	S522-Q524 PolarHBondContact O-N 2.9Å
523	S	28.5	Very low	26.3	Very low	119 Å²	119	141.3 Å²	141.3	83%	0.832	79%	0.793	S	S	*	*			trans	-47.9	99.4	175	-45.1	0	0	0	0	113.4	P521 K525	P521-S523 PolarHBondContact O-N 3.2Å; S523-K525 PolarHBondContact O-N 3.44Å
524	Q	26.6	Very low	26.1	Very low	186 Å²	186	139 Å²	139	87%	0.869	79%	0.789	S	S	*	*			trans	-71.6	114.6	155.1	-77.7	-177.7	-14	0	0	107.4	S522 P526	S522-Q524 PolarHBondContact O-N 2.9Å; Q524-P526 WeakPolarHBondContact O-CD 3.46Å
525	K	25.7	Very low	26	Very low	195 Å²	195	140.1 Å²	140.1	85%	0.848	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-55.1	122.5	174.9	-78.4	-179.7	174.3	179.8	0	108.8	S523 V527	S523-K525 PolarHBondContact O-N 3.44Å; K525-V527 PolarHBondContact O-N 3.44Å
526	P	26.9	Very low	26.2	Very low	120 Å²	120	142.4 Å²	142.4	78%	0.779	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.3	131.2	176.2	26.2	-30.7	0	0	0	109.1	Q524	Q524-P526 WeakPolarHBondContact O-CD 3.46Å
527	V	25.3	Very low	26.1	Very low	134 Å²	134	142.7 Å²	142.7	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-56.8	132.4	171.6	-178.9	0	0	0	0	108	K525 R529	K525-V527 PolarHBondContact O-N 3.44Å; V527-R529 PolarHBondContact O-N 2.94Å
528	P	25	Very low	26.5	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64	127.1	-174.9	-13.3	26.5	0	0	0	110.1
529	R	26.6	Very low	26.8	Very low	232 Å²	232	141.6 Å²	141.6	88%	0.875	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-58.8	131.7	171.2	-157.1	179.2	-156.8	-160.1	4.2	108.4	V527	V527-R529 PolarHBondContact O-N 2.94Å
530	P	23.1	Very low	26.9	Very low	110 Å²	110	141.3 Å²	141.3	71%	0.714	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.5	136.8	174	-15.8	27.9	0	0	0	109	S532	P530-S532 PolarHBondContact O-N 3.49Å
531	P	24.2	Very low	27.3	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.1	128.5	-178	24.1	-30.4	0	0	0	109.3	I533	P531-I533 PolarHBondContact O-N 2.96Å
532	S	26	Very low	27.3	Very low	93 Å²	93	143.1 Å²	143.1	65%	0.65	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-53.4	126.4	166.9	147.7	0	0	0	0	107.9	P530 C534	P530-S532 PolarHBondContact O-N 3.49Å; S532-C534 PolarHBondContact O-N 2.89Å
533	I	26.5	Very low	27.2	Very low	171 Å²	171	145.3 Å²	145.3	88%	0.877	80%	0.797	S	S	*	*	S	Bend	trans	-57.4	89.1	166	-99.2	167.5	0	0	0	106.6	P531	P531-I533 PolarHBondContact O-N 2.96Å
534	C	24.7	Very low	27.3	Very low	116 Å²	116	146.6 Å²	146.6	78%	0.784	80%	0.799	S	S	*	*			trans	168.3	39.7	169	-91.5	0	0	0	0	110.2	S532	S532-C534 PolarHBondContact O-N 2.89Å
535	E	25.5	Very low	27.4	Very low	156 Å²	156	141 Å²	141	73%	0.729	79%	0.791	S	S	*	*			trans	-132	94.3	161	-74.4	-170.3	166.7	0	0	107.8	H537	E535-H537 PolarHBondContact O-N 3.19Å
536	E	29.5	Very low	27.8	Very low	200 Å²	200	140 Å²	140	94%	0.935	80%	0.795	S	S	*	*			trans	-61.8	102	166.8	-71.7	-179.5	162	0	0	107.6	S538	E536-S538 PolarHBondContact O-N 2.92Å; E536-S538 VanDerWaalsContact O-N 3.13Å
537	H	26.6	Very low	28.3	Very low	167 Å²	167	141.2 Å²	141.2	77%	0.773	80%	0.795	S	S	*	*			trans	-63.4	110.4	165	-82.4	-70.1	0	0	0	108.2	E535 S539	E535-H537 PolarHBondContact O-N 3.19Å; H537-S539 VanDerWaalsContact C-N 3.31Å; H537-S539 PolarHBondContact O-N 3.31Å
538	S	31	Very low	29.1	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	79%	0.785	S	S	*	*			trans	-64.9	96.7	160.2	61.3	0	0	0	0	107.4	E536 D540	E536-S538 PolarHBondContact O-N 2.92Å; E536-S538 VanDerWaalsContact O-N 3.13Å; S538-D540 PolarHBondContact O-N 3.45Å
539	S	31.6	Very low	30.1	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	78%	0.778	S	S	*	*			trans	-70.2	111.8	167.8	49.9	0	0	0	0	108.3	H537 D541	H537-S539 VanDerWaalsContact C-N 3.31Å; H537-S539 PolarHBondContact O-N 3.31Å; S539-D541 PolarHBondContact O-N 3.27Å
540	D	30.3	Very low	31	Very low	150 Å²	150	136 Å²	136	80%	0.802	77%	0.772	S	S	*	*			trans	-54.1	119.8	157.8	-65.3	-51.5	0	0	0	108.7	S538	S538-D540 PolarHBondContact O-N 3.45Å
541	D	32.4	Very low	32.2	Very low	148 Å²	148	133.5 Å²	133.5	79%	0.791	76%	0.761	S	S	*	*			trans	-157.2	98.2	156.5	-95.3	-27.7	0	0	0	108.8	S539	S539-D541 PolarHBondContact O-N 3.27Å
542	D	29.6	Very low	33.3	Very low	149 Å²	149	135 Å²	135	80%	0.797	76%	0.755	S	S	*	*			trans	37.2	107.1	141.7	-64.8	-26.9	0	0	0	121.1
543	N	26.6	Very low	34.7	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	75%	0.747	S	S	*	*				66	78.7	120.1	-158	26.6	0	0	0	118.4
544	V	29.6	Very low	36.3	Very low	146 Å²	146	131.1 Å²	131.1	89%	0.885	73%	0.729	S	S	*	*			trans	-144.2	112.4	148.1	-176.8	0	0	0	0	110.8
545	G	29.2	Very low	37.7	Very low	67 Å²	67	135.4 Å²	135.4	69%	0.691	73%	0.729	S	S	*	*			trans	75.1	107.5	138.3	0	0	0	0	0	118.8	D547	G545-D547 PolarHBondContact O-N 3.4Å; G545-D547 VanDerWaalsContact O-N 3.14Å
546	D	33.7	Very low	39.3	Very low	175 Å²	175	136.7 Å²	136.7	94%	0.936	73%	0.727	S	S	*	*			trans	-46	108.2	162	-73.2	-50.6	0	0	0	112.8
547	D	37.2	Very low	40.7	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	71%	0.71	S	S	*	*			trans	-164.3	64.1	145	-138.7	-3.8	0	0	0	112	G545	G545-D547 PolarHBondContact O-N 3.4Å; G545-D547 VanDerWaalsContact O-N 3.14Å
548	D	41.5	Very low	42.2	Very low	115 Å²	115	130.1 Å²	130.1	62%	0.615	70%	0.697	S	S	*	*			trans	-122.4	30.8	-172.3	-127.8	1.4	0	0	0	113.7
549	T	47	Very low	43.4	Very low	102 Å²	102	132.3 Å²	132.3	63%	0.626	69%	0.693	S	S	*	*	H	α-helix	trans	-81.4	-24.8	178.1	-11.5	0	0	0	0	112.7
550	E	44.7	Very low	44.6	Very low	158 Å²	158	133.8 Å²	133.8	74%	0.738	69%	0.688	S	S	*	*	H	α-helix	trans	-84.1	-44.2	-174.3	-154.6	165	-155.8	0	0	112.1	K552 N553 D554	E550-K552 VanDerWaalsContact C-N 3.34Å; E550-K552 PolarHBondContact O-N 3.13Å; E550-N553 PolarHBondContact O-N 3.32Å; E550-D554 PolarHBondContact O-N 3.35Å; E550-D554 VanDerWaalsContact O-N 3.1Å
551	A	48.5	Very low	45.8	Very low	58 Å²	58	132.9 Å²	132.9	48%	0.479	68%	0.679	S	S	.	*	H	α-helix	trans	-63.4	-35.3	179.4	0	0	0	0	0	113.3	N553 R555	A551-N553 VanDerWaalsContact C-N 3.35Å; A551-R555 PolarHBondContact O-N 3.04Å; A551-R555 VanDerWaalsContact O-N 3.13Å
552	K	47.2	Very low	47	Very low	148 Å²	148	130 Å²	130	64%	0.643	66%	0.663	S	S	*	*	H	α-helix	trans	-67.5	-33.4	174.4	-82.7	176.6	-179.4	162.8	0	112.6	E550 R556	E550-K552 VanDerWaalsContact C-N 3.34Å; E550-K552 PolarHBondContact O-N 3.13Å; K552-R556 WeakPolarHBondContact O-CG 3.46Å; K552-R556 PolarHBondContact O-N 3.48Å
553	N	56.4	Low	48.1	Very low	87 Å²	87	127.6 Å²	127.6	47%	0.465	65%	0.65	S	S	.	*	H	α-helix	trans	-72.6	-39	177.3	-85.3	-21	0	0	0	111.9	E550 A551 R556 K557	E550-N553 PolarHBondContact O-N 3.32Å; A551-N553 VanDerWaalsContact C-N 3.35Å; N553-R556 PolarHBondContact O-N 3.34Å; N553-K557 PolarHBondContact O-N 2.95Å
554	D	59.4	Low	49.7	Very low	96 Å²	96	123.9 Å²	123.9	51%	0.513	63%	0.633	S	S	.	*	H	α-helix	trans	-67.9	-39.4	177.2	-79.2	-14	0	0	0	112.4	E550 R556 K557 L558	E550-D554 PolarHBondContact O-N 3.35Å; E550-D554 VanDerWaalsContact O-N 3.1Å; D554-R556 VanDerWaalsContact C-N 3.3Å; D554-R556 PolarHBondContact O-N 3.02Å; D554-K557 PolarHBondContact O-N 3.47Å; D554-L558 WeakPolarHBondContact O-CB 3.41Å; D554-L558 PolarHBondContact O-N 2.94Å
555	R	54.4	Low	50.6	Low	205 Å²	205	119.5 Å²	119.5	77%	0.774	61%	0.613	S	S	*	*	H	α-helix	trans	-65.5	-34.2	175.6	-140.1	177.7	-168.4	-162	4.4	112.3	A551 K559	A551-R555 PolarHBondContact O-N 3.04Å; A551-R555 VanDerWaalsContact O-N 3.13Å; R555-K559 PolarHBondContact O-N 3.29Å; R555-K559 VanDerWaalsContact O-N 3.15Å
556	R	58.3	Low	51.4	Low	183 Å²	183	120.4 Å²	120.4	69%	0.691	60%	0.601	S	S	*	*	H	α-helix	trans	-68.8	-44.6	173	-80.2	179.5	174.5	171	-1.2	111.8	K552 N553 D554 L558 K559 Q560	K552-R556 WeakPolarHBondContact O-CG 3.46Å; K552-R556 PolarHBondContact O-N 3.48Å; N553-R556 PolarHBondContact O-N 3.34Å; D554-R556 VanDerWaalsContact C-N 3.3Å; D554-R556 PolarHBondContact O-N 3.02Å; R556-L558 VanDerWaalsContact C-N 3.34Å; R556-L558 PolarHBondContact O-N 3.04Å; R556-K559 PolarHBondContact O-N 2.98Å; R556-Q560 WeakPolarHBondContact O-CB 3.44Å; R556-Q560 PolarHBondContact O-N 3.15Å
557	K	59	Low	52.1	Low	132 Å²	132	117.6 Å²	117.6	57%	0.574	59%	0.586	S	S	*	*	H	α-helix	trans	-59.1	-43.5	175.1	-83.4	179.1	177.7	171.9	0	112	N553 D554 Q560 Q561	N553-K557 PolarHBondContact O-N 2.95Å; D554-K557 PolarHBondContact O-N 3.47Å; K557-Q560 PolarHBondContact O-N 2.94Å; K557-Q561 WeakPolarHBondContact O-CG 3.42Å; K557-Q561 PolarHBondContact O-N 3.46Å
558	L	58.3	Low	52.6	Low	98 Å²	98	115.9 Å²	115.9	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-65.7	-43.4	179.5	-169.2	68.8	0	0	0	112	D554 R556 Q560 Q561 I562	D554-L558 WeakPolarHBondContact O-CB 3.41Å; D554-L558 PolarHBondContact O-N 2.94Å; R556-L558 VanDerWaalsContact C-N 3.34Å; R556-L558 PolarHBondContact O-N 3.04Å; L558-Q560 VanDerWaalsContact C-N 3.3Å; L558-Q560 PolarHBondContact O-N 3.43Å; L558-Q561 PolarHBondContact O-N 3.45Å; L558-I562 HydrophobicContact CG-CD1 4.26Å; L558-I562 WeakPolarHBondContact O-CG1 3.41Å; L558-I562 PolarHBondContact O-N 3.17Å
559	K	57	Low	52.8	Low	155 Å²	155	119.2 Å²	119.2	67%	0.674	58%	0.581	S	S	*	*	H	α-helix	trans	-61.5	-39.4	174.4	-109.4	179	174.8	-179	0	112.1	R555 R556 I562 N563	R555-K559 PolarHBondContact O-N 3.29Å; R555-K559 VanDerWaalsContact O-N 3.15Å; R556-K559 PolarHBondContact O-N 2.98Å; K559-I562 PolarHBondContact O-N 3.36Å; K559-N563 PolarHBondContact O-N 3.43Å; K559-N563 VanDerWaalsContact O-N 3.12Å
560	Q	55.5	Low	52.6	Low	136 Å²	136	118.1 Å²	118.1	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-67.4	-41.6	178.6	-152.5	166.2	14.8	0	0	111.3	R556 K557 L558 I562 N563 T564	R556-Q560 WeakPolarHBondContact O-CB 3.44Å; R556-Q560 PolarHBondContact O-N 3.15Å; K557-Q560 PolarHBondContact O-N 2.94Å; L558-Q560 VanDerWaalsContact C-N 3.3Å; L558-Q560 PolarHBondContact O-N 3.43Å; Q560-I562 PolarHBondContact O-N 3.43Å; Q560-N563 PolarHBondContact O-N 2.98Å; Q560-T564 PolarHBondContact O-N 3.23Å; Q560-T564 PolarHBondContact O-OG1 3.32Å
561	Q	56.3	Low	52.6	Low	130 Å²	130	113.2 Å²	113.2	61%	0.607	56%	0.564	S	S	*	*	H	α-helix	trans	-62.4	-40.1	174.8	-76	179.8	-2.4	0	0	113.2	K557 L558 T564 A565	K557-Q561 WeakPolarHBondContact O-CG 3.42Å; K557-Q561 PolarHBondContact O-N 3.46Å; L558-Q561 PolarHBondContact O-N 3.45Å; Q561-T564 PolarHBondContact O-N 3.35Å; Q561-A565 WeakPolarHBondContact O-CB 3.38Å; Q561-A565 PolarHBondContact O-N 3.46Å
562	I	57	Low	52.3	Low	89 Å²	89	117.8 Å²	117.8	46%	0.456	57%	0.573	S	S	.	*	H	α-helix	trans	-65.1	-43.1	177.7	-68.8	166.8	0	0	0	110.8	L558 K559 Q560 A565 N566	L558-I562 HydrophobicContact CG-CD1 4.26Å; L558-I562 WeakPolarHBondContact O-CG1 3.41Å; L558-I562 PolarHBondContact O-N 3.17Å; K559-I562 PolarHBondContact O-N 3.36Å; Q560-I562 PolarHBondContact O-N 3.43Å; I562-A565 PolarHBondContact O-N 3.31Å; I562-N566 PolarHBondContact O-N 3.02Å; I562-N566 VanDerWaalsContact O-N 3.09Å
563	N	54.3	Low	51.9	Low	98 Å²	98	117.1 Å²	117.1	52%	0.524	58%	0.576	S	S	.	*	H	α-helix	trans	-64.6	-43.9	178.4	-72.6	-4.9	0	0	0	111.3	K559 Q560 A565 N566 D567	K559-N563 PolarHBondContact O-N 3.43Å; K559-N563 VanDerWaalsContact O-N 3.12Å; Q560-N563 PolarHBondContact O-N 2.98Å; N563-A565 VanDerWaalsContact C-N 3.3Å; N563-A565 PolarHBondContact O-N 3.31Å; N563-N566 PolarHBondContact O-N 3.44Å; N563-D567 PolarHBondContact O-N 3.26Å
564	T	58.6	Low	51.2	Low	78 Å²	78	118.1 Å²	118.1	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-61.7	-37.3	176.1	-48.4	0	0	0	0	112.4	Q560 Q561 L568	Q560-T564 PolarHBondContact O-N 3.23Å; Q560-T564 PolarHBondContact O-OG1 3.32Å; Q561-T564 PolarHBondContact O-N 3.35Å; T564-L568 HydrophobicContact CG2-CD1 4.21Å; T564-L568 WeakPolarHBondContact O-CB 3.41Å; T564-L568 PolarHBondContact O-N 3.44Å; T564-L568 VanDerWaalsContact O-N 3.1Å
565	A	49.9	Very low	50.2	Low	55 Å²	55	120.5 Å²	120.5	46%	0.455	60%	0.598	S	S	.	*	H	α-helix	trans	-67	-36.2	177	0	0	0	0	0	112.7	Q561 I562 N563 R569	Q561-A565 WeakPolarHBondContact O-CB 3.38Å; Q561-A565 PolarHBondContact O-N 3.46Å; I562-A565 PolarHBondContact O-N 3.31Å; N563-A565 VanDerWaalsContact C-N 3.3Å; N563-A565 PolarHBondContact O-N 3.31Å; A565-R569 PolarHBondContact O-N 3.11Å; A565-R569 VanDerWaalsContact O-N 3.13Å
566	N	45.4	Very low	49.1	Very low	85 Å²	85	118.8 Å²	118.8	46%	0.455	60%	0.598	S	S	.	*	H	α-helix	trans	-72.9	-37.9	177.6	-75.4	-21.3	0	0	0	112.4	I562 N563 R569 S570	I562-N566 PolarHBondContact O-N 3.02Å; I562-N566 VanDerWaalsContact O-N 3.09Å; N563-N566 PolarHBondContact O-N 3.44Å; N566-R569 PolarHBondContact O-N 2.9Å; N566-S570 PolarHBondContact O-N 2.91Å; N566-S570 PolarHBondContact O-OG 3.3Å
567	D	48.5	Very low	47.8	Very low	116 Å²	116	117.4 Å²	117.4	62%	0.62	60%	0.604	S	S	*	*	H	α-helix	trans	-64.7	-42.3	175.2	-69.7	-20.6	0	0	0	111.1	N563 R569 S570 A571	N563-D567 PolarHBondContact O-N 3.26Å; D567-R569 VanDerWaalsContact C-N 3.31Å; D567-R569 PolarHBondContact O-N 3.43Å; D567-S570 PolarHBondContact O-N 2.98Å; D567-A571 PolarHBondContact O-N 2.88Å
568	L	46.9	Very low	46.5	Very low	109 Å²	109	118.6 Å²	118.6	57%	0.571	62%	0.616	S	S	*	*	H	α-helix	trans	-63.6	-34.2	175.1	-84.4	160.9	0	0	0	113.2	T564 K572	T564-L568 HydrophobicContact CG2-CD1 4.21Å; T564-L568 WeakPolarHBondContact O-CB 3.41Å; T564-L568 PolarHBondContact O-N 3.44Å; T564-L568 VanDerWaalsContact O-N 3.1Å; L568-K572 PolarHBondContact O-N 3.4Å
569	R	45.3	Very low	45.4	Very low	186 Å²	186	122.1 Å²	122.1	70%	0.702	63%	0.634	S	S	*	*	H	α-helix	trans	-72.2	-36.6	177.8	-135.5	177.1	-172.7	-175.7	0.1	111.7	A565 N566 D567 L573	A565-R569 PolarHBondContact O-N 3.11Å; A565-R569 VanDerWaalsContact O-N 3.13Å; N566-R569 PolarHBondContact O-N 2.9Å; D567-R569 VanDerWaalsContact C-N 3.31Å; D567-R569 PolarHBondContact O-N 3.43Å; R569-L573 PolarHBondContact O-N 3.1Å
570	S	43.2	Very low	44.2	Very low	78 Å²	78	121 Å²	121	55%	0.545	64%	0.641	S	S	.	*	H	α-helix	trans	-70.2	-41.1	178.2	-53.3	0	0	0	0	111.1	N566 D567 K572 L573 T574	N566-S570 PolarHBondContact O-N 2.91Å; N566-S570 PolarHBondContact O-OG 3.3Å; D567-S570 PolarHBondContact O-N 2.98Å; S570-K572 PolarHBondContact O-N 2.93Å; S570-L573 PolarHBondContact O-N 3.3Å; S570-T574 PolarHBondContact O-OG1 3.14Å
571	A	44.7	Very low	42.9	Very low	56 Å²	56	122.4 Å²	122.4	46%	0.463	65%	0.652	S	S	.	*	H	α-helix	trans	-65.4	-36.1	176.1	0	0	0	0	0	113.2	D567 L573 T574	D567-A571 PolarHBondContact O-N 2.88Å; A571-L573 VanDerWaalsContact C-N 3.32Å; A571-L573 PolarHBondContact O-N 3.07Å; A571-T574 PolarHBondContact O-N 2.93Å; A571-T574 PolarHBondContact O-OG1 3Å
572	K	41.8	Very low	41.7	Very low	154 Å²	154	123 Å²	123	67%	0.67	67%	0.665	S	S	*	*	H	α-helix	trans	-72.3	-20.8	178.2	-87.5	-174.2	174.7	-178.1	0	114.6	L568 S570	L568-K572 PolarHBondContact O-N 3.4Å; S570-K572 PolarHBondContact O-N 2.93Å
573	L	39.9	Very low	40.3	Very low	134 Å²	134	124.3 Å²	124.3	70%	0.702	68%	0.682	S	S	*	*	H	α-helix	trans	-80.9	-22.1	178.2	-95.2	151.1	0	0	0	112.7	R569 S570 A571	R569-L573 PolarHBondContact O-N 3.1Å; S570-L573 PolarHBondContact O-N 3.3Å; A571-L573 VanDerWaalsContact C-N 3.32Å; A571-L573 PolarHBondContact O-N 3.07Å
574	T	40.7	Very low	39.2	Very low	108 Å²	108	125.4 Å²	125.4	66%	0.663	70%	0.697	S	S	*	*	H	α-helix	trans	-80.1	-23	177.1	26.6	0	0	0	0	114.6	S570 A571	S570-T574 PolarHBondContact O-OG1 3.14Å; A571-T574 PolarHBondContact O-N 2.93Å; A571-T574 PolarHBondContact O-OG1 3Å
575	D	38.3	Very low	37.7	Very low	146 Å²	146	128.2 Å²	128.2	78%	0.781	71%	0.71	S	S	*	*	S	Bend	trans	-90.9	-3.2	-175.6	-87.6	-6.5	0	0	0	115.2
576	Q	32.4	Very low	36.9	Very low	168 Å²	168	131.4 Å²	131.4	79%	0.785	73%	0.725	S	S	*	*	S	Bend	trans	-101.8	17.2	-173.6	-82.7	-170.2	28.9	0	0	115.9
577	L	31.3	Very low	36.2	Very low	154 Å²	154	137.5 Å²	137.5	81%	0.806	74%	0.744	S	S	*	*	S	Bend	trans	-102.8	0	179.7	-80	170	0	0	0	116.8
578	D	31.1	Very low	35.4	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	76%	0.757	S	S	*	*			trans	-124.5	74.7	178.4	-80.3	-29.4	0	0	0	112.9
579	I	35.4	Very low	34.6	Very low	172 Å²	172	141.6 Å²	141.6	88%	0.882	77%	0.769	S	S	*	*			trans	-139.8	108.1	155.5	-55.8	-178.3	0	0	0	109.2
580	T	32.5	Very low	34	Very low	133 Å²	133	139.4 Å²	139.4	82%	0.816	78%	0.777	S	S	*	*			trans	-79.1	147.4	-179.6	32.7	0	0	0	0	113.2
581	N	26.7	Very low	33.3	Very low	165 Å²	165	141.5 Å²	141.5	88%	0.882	79%	0.791	S	S	*	*			trans	-43.3	127.9	173.6	-73.8	-33.8	0	0	0	114.8
582	T	31.8	Very low	32.8	Very low	143 Å²	143	144.6 Å²	144.6	88%	0.877	81%	0.81	S	S	*	*			trans	-133	123	149.8	53.1	0	0	0	0	110.8
583	S	27.9	Very low	32.2	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	82%	0.818	S	S	*	*			trans	-79	143.5	177.1	54.7	0	0	0	0	112.2
584	S	30.1	Very low	31.9	Very low	121 Å²	121	142.9 Å²	142.9	85%	0.846	82%	0.823	S	S	*	*			trans	-162.4	111.8	140	44.2	0	0	0	0	110.9
585	D	28.2	Very low	31.4	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	83%	0.826	S	S	*	*			trans	-90.3	133.8	172.4	-117.1	-30.3	0	0	0	109.7	Y587	D585-Y587 WeakPolarHBondContact OD1-CD2 3.43Å; D585-Y587 WeakPolarHBondContact OD1-CE2 3.35Å
586	P	33.8	Very low	31.1	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	83%	0.828	S	S	*	*			trans	-126	83.2	161.3	34.9	-18.5	0	0	0	110.4
587	Y	30.8	Very low	31.1	Very low	213 Å²	213	143.9 Å²	143.9	84%	0.835	83%	0.833	S	S	*	*			trans	-100.5	102.6	165.2	-81.5	-82.9	0	0	0	109.7	D585	D585-Y587 WeakPolarHBondContact OD1-CD2 3.43Å; D585-Y587 WeakPolarHBondContact OD1-CE2 3.35Å
588	Q	31.4	Very low	31	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	83%	0.832	S	S	*	*			trans	-108.3	113.4	160.2	-89.9	-171.7	-10.8	0	0	109.9
589	S	30.2	Very low	31	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	83%	0.832	S	S	*	*			trans	-61.2	133.3	171.6	52.2	0	0	0	0	112.4
590	T	31.5	Very low	30.7	Very low	140 Å²	140	142.4 Å²	142.4	86%	0.859	83%	0.828	S	S	*	*			trans	-119.7	117.9	158.2	49.2	0	0	0	0	108.9
591	S	29.9	Very low	30.7	Very low	122 Å²	122	143.1 Å²	143.1	85%	0.853	83%	0.826	S	S	*	*			trans	-86.5	126.3	174.6	58.1	0	0	0	0	109.8
592	S	33	Very low	30.8	Very low	121 Å²	121	142.5 Å²	142.5	85%	0.846	82%	0.823	S	S	*	*			trans	-132.8	105.8	163.9	35.7	0	0	0	0	108.8
593	A	30.4	Very low	30.8	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	82%	0.82	S	S	*	*			trans	-76.2	131.5	167.8	0	0	0	0	0	108.7
594	D	32.9	Very low	30.9	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	82%	0.819	S	S	*	*			trans	-141.2	129.3	152.3	-153.4	-2.8	0	0	0	110.2
595	S	29.2	Very low	30.9	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	82%	0.817	S	S	*	*			trans	-119.2	114.8	-168.9	56.3	0	0	0	0	108.1
596	T	33.3	Very low	30.8	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	82%	0.818	S	S	*	*			trans	-135.3	93.2	171.8	34.7	0	0	0	0	112.2
597	K	32.1	Very low	30.5	Very low	205 Å²	205	144.6 Å²	144.6	89%	0.891	82%	0.817	S	S	*	*			trans	24.4	113.3	144	-71.2	177.6	176.8	175	0	119.4
598	S	29.1	Very low	30.4	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	82%	0.816	S	S	*	*			trans	-54.2	128.7	152.6	57.2	0	0	0	0	112.7
599	N	31.1	Very low	30.1	Very low	157 Å²	157	140.6 Å²	140.6	84%	0.84	81%	0.812	S	S	*	*			trans	-113.9	109.7	162.5	-116.7	-1.8	0	0	0	108.7
600	K	29.2	Very low	30.2	Very low	184 Å²	184	140.8 Å²	140.8	80%	0.8	81%	0.811	S	S	*	*			trans	-73.2	129.7	164.1	-76.7	178.3	173.1	-179.9	0	107.8
601	N	31.4	Very low	30	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	81%	0.805	S	S	*	*			trans	-136.8	105.2	155.5	-91	-18.6	0	0	0	108.1
602	D	30.1	Very low	30	Very low	152 Å²	152	139.3 Å²	139.3	81%	0.813	80%	0.801	S	S	*	*			trans	-62.2	131	161.7	-76.9	-48.1	0	0	0	109.3
603	L	32.3	Very low	29.8	Very low	156 Å²	156	139.1 Å²	139.1	82%	0.817	80%	0.795	S	S	*	*			trans	-146.8	92.7	157.8	-100.6	136.7	0	0	0	108.5
604	T	28.7	Very low	29.7	Very low	125 Å²	125	141 Å²	141	77%	0.767	80%	0.796	S	S	*	*			trans	-59.8	124.2	158.5	48.5	0	0	0	0	109.6
605	N	30.8	Very low	29.5	Very low	152 Å²	152	138.7 Å²	138.7	81%	0.813	79%	0.792	S	S	*	*			trans	-149.7	101.2	152.3	-105.5	-16.4	0	0	0	110.3
606	T	26.3	Very low	29.4	Very low	123 Å²	123	140.4 Å²	140.4	76%	0.755	80%	0.798	S	S	*	*			trans	-62.3	131.9	155.9	35.4	0	0	0	0	109.4
607	T	27.4	Very low	29.3	Very low	126 Å²	126	141.3 Å²	141.3	77%	0.773	80%	0.796	S	S	*	*				170.9	136	124.3	30.6	0	0	0	0	113.9
608	K	28.6	Very low	29.1	Very low	187 Å²	187	137 Å²	137	81%	0.813	79%	0.792	S	S	*	*			trans	77.4	97.3	144.1	-70.1	175.7	-179.7	-178.2	0	119.5
609	T	25.1	Very low	29.2	Very low	134 Å²	134	137.2 Å²	137.2	82%	0.822	79%	0.793	S	S	*	*			trans	-19.4	125.1	137.6	50.5	0	0	0	0	115.9
610	P	32.1	Very low	29.2	Very low	123 Å²	123	135 Å²	135	80%	0.799	79%	0.79	S	S	*	*			trans	-103.1	113.4	153.2	28.4	-14.8	0	0	0	110
611	S	27.1	Very low	29.1	Very low	106 Å²	106	132 Å²	132	74%	0.741	79%	0.792	S	S	*	*			trans	-73.5	125	159.3	50.4	0	0	0	0	109.6
612	T	29	Very low	29	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	79%	0.791	S	S	*	*			trans	-164.7	119.3	146.9	-5.2	0	0	0	0	113.4
613	T	29.1	Very low	28.9	Very low	116 Å²	116	127.9 Å²	127.9	71%	0.712	79%	0.787	S	S	*	*			trans	53	96.4	140.6	34.4	0	0	0	0	120.7	S615	T613-S615 PolarHBondContact O-N 3.05Å
614	T	28	Very low	28.8	Very low	141 Å²	141	126.6 Å²	126.6	87%	0.865	79%	0.786	S	S	*	*				-3.4	107.2	127.4	25.3	0	0	0	0	117
615	S	30.1	Very low	29	Very low	103 Å²	103	127.9 Å²	127.9	72%	0.72	79%	0.787	S	S	*	*			trans	-102.9	107.4	153.9	59.1	0	0	0	0	109.1	T613 I617	T613-S615 PolarHBondContact O-N 3.05Å; S615-I617 PolarHBondContact O-N 3.47Å
616	T	26.7	Very low	28.9	Very low	140 Å²	140	128 Å²	128	86%	0.859	78%	0.783	S	S	*	*			trans	-56.8	113.7	169.4	35.7	0	0	0	0	110.9
617	I	31.4	Very low	29.5	Very low	152 Å²	152	126.7 Å²	126.7	78%	0.779	77%	0.771	S	S	*	*			trans	-110.6	119.9	161.4	-62.7	176.8	0	0	0	106.8	S615 S619	S615-I617 PolarHBondContact O-N 3.47Å; I617-S619 PolarHBondContact O-N 2.93Å
618	S	27.5	Very low	29.9	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	77%	0.771	S	S	*	*			trans	-49.2	112.3	-177.2	49.1	0	0	0	0	113	S620	S618-S620 PolarHBondContact O-N 3.32Å
619	S	32	Very low	30.6	Very low	115 Å²	115	124.5 Å²	124.5	80%	0.804	75%	0.751	S	S	*	*			trans	-68.9	115.9	166	52.9	0	0	0	0	109.6	I617 S621	I617-S619 PolarHBondContact O-N 2.93Å; S619-S621 PolarHBondContact O-N 3.3Å
620	S	29.9	Very low	31.7	Very low	111 Å²	111	121.9 Å²	121.9	78%	0.776	73%	0.731	S	S	*	*			trans	-58	130.1	162.9	43.1	0	0	0	0	109.2	S618 S622	S618-S620 PolarHBondContact O-N 3.32Å; S620-S622 PolarHBondContact O-N 2.65Å
621	S	27.1	Very low	32.6	Very low	120 Å²	120	120.3 Å²	120.3	84%	0.839	72%	0.715	S	S	*	*			trans	-60.6	93.2	179.7	48.9	0	0	0	0	111.4	S619 S623	S619-S621 PolarHBondContact O-N 3.3Å; S621-S623 PolarHBondContact O-N 3.26Å
622	S	30	Very low	34.6	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	71%	0.707	S	S	*	*			trans	-73	110.6	155	-85.1	0	0	0	0	107.4	S620 T624	S620-S622 PolarHBondContact O-N 2.65Å; S622-T624 PolarHBondContact O-N 3.33Å
623	S	28.1	Very low	36.2	Very low	106 Å²	106	121 Å²	121	74%	0.741	70%	0.698	S	S	*	*			trans	-60.2	99.1	171.2	53.5	0	0	0	0	108.7	S621 L625	S621-S623 PolarHBondContact O-N 3.26Å; S623-L625 PolarHBondContact O-N 3.43Å
624	T	30.2	Very low	38.3	Very low	128 Å²	128	117.8 Å²	117.8	79%	0.785	68%	0.676	S	S	*	*			trans	-59.8	102.6	167.2	-42.8	0	0	0	0	106.6	S622 Q626	S622-T624 PolarHBondContact O-N 3.33Å; T624-Q626 VanDerWaalsContact C-N 3.31Å; T624-Q626 PolarHBondContact O-N 2.92Å
625	L	31.8	Very low	39.9	Very low	153 Å²	153	115.3 Å²	115.3	80%	0.801	66%	0.66	S	S	*	*			trans	-57.1	99.8	168.6	-90.3	139.9	0	0	0	106.5	S623 N627	S623-L625 PolarHBondContact O-N 3.43Å; L625-N627 PolarHBondContact O-N 3.04Å
626	Q	30.4	Very low	41	Very low	155 Å²	155	111.2 Å²	111.2	72%	0.724	63%	0.631	S	S	*	*			trans	-57	108.5	169.7	-79.8	-178.8	-21.5	0	0	107	T624 R628	T624-Q626 VanDerWaalsContact C-N 3.31Å; T624-Q626 PolarHBondContact O-N 2.92Å; Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 3.4Å
627	N	37.1	Very low	41.9	Very low	94 Å²	94	110.8 Å²	110.8	50%	0.503	62%	0.624	S	S	.	*			trans	-56.7	90.8	172.2	-86.5	-22.7	0	0	0	109	N332 L625 T629	N332-N627 PolarHBondContact ND2-OD1 3.49Å; L625-N627 PolarHBondContact O-N 3.04Å; N627-T629 PolarHBondContact O-N 2.72Å
628	R	37.3	Very low	42.6	Very low	203 Å²	203	111.5 Å²	111.5	77%	0.766	62%	0.621	S	S	*	*			trans	-83.4	106.6	174.5	-77.5	-174.4	177.1	-177.5	-0.3	108.8	Q626 I630	Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 3.4Å; R628-I630 PolarHBondContact O-N 3.25Å
629	T	42	Very low	43.1	Very low	65 Å²	65	110.9 Å²	110.9	40%	0.399	62%	0.617	S	S	.	*			trans	-64.9	114.9	164.1	-56.7	0	0	0	0	108.6	V101 R329 N627	V101-T629 HydrophobicContact CG1-CG2 4.41Å; R329-T629 HydrophobicContact CB-CG2 4.16Å; R329-T629 HydrophobicContact CG-CG2 4.46Å; N627-T629 PolarHBondContact O-N 2.72Å
630	I	49.5	Very low	43.3	Very low	79 Å²	79	114.2 Å²	114.2	41%	0.405	62%	0.617	S	S	.	*			trans	-89.9	133.1	174.8	-61.3	176.3	0	0	0	108.1	R628	R628-I630 PolarHBondContact O-N 3.25Å
631	I	50.7	Low	43.6	Very low	89 Å²	89	118.2 Å²	118.2	46%	0.456	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.4	122.6	-178.9	-67	-179	0	0	0	108.8	N327	N327-I631 WeakPolarHBondContact ND2-CG2 3.4Å; N327-I631 WeakPolarHBondContact OD1-CG2 3.2Å
632	R	69.2	Low	44.1	Very low	154 Å²	154	119.1 Å²	119.1	58%	0.581	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.6	135.3	170.7	-76.7	-170.5	179.4	176.1	-5.7	110.9	Y285 N327 I328	Y285-R632 WeakPolarHBondContact OH-CD 3.38Å; Y285-R632 PolarHBondContact OH-NH1 3.32Å; N327-R632 VanDerWaalsContact CA-O 3.27Å; N327-R632 WeakPolarHBondContact CA-O 3.47Å; I328-R632 PolarHBondContact N-O 3.24Å; I328-R632 PolarHBondContact O-N 3.18Å
633	T	63	Low	44	Very low	92 Å²	92	121.7 Å²	121.7	56%	0.564	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.4	129.7	-173.9	-55.9	0	0	0	0	111.1	V325 M326 N327	V325-T633 HydrophobicContact CG1-CG2 3.3Å; M326-T633 WeakPolarHBondContact O-CA 3.31Å; N327-T633 PolarHBondContact ND2-OG1 3.28Å
634	I	72.3	Confident	44.1	Very low	50 Å²	50	128 Å²	128	26%	0.256	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.5	132.1	177.2	-54.5	175.1	0	0	0	108.9	M287 F296 M326	M287-I634 HydrophobicContact CE-CD1 3.76Å; M287-I634 HydrophobicContact CG-CD1 4.31Å; M287-I634 HydrophobicContact SD-CD1 3.9Å; F296-I634 HydrophobicContact CE2-CG2 4.04Å; M326-I634 HydrophobicContact CE-CB 4.45Å; M326-I634 HydrophobicContact CE-CG2 4.48Å; M326-I634 PolarHBondContact N-O 2.86Å; M326-I634 PolarHBondContact O-N 2.76Å
635	T	61.9	Low	44.8	Very low	88 Å²	88	128 Å²	128	54%	0.54	64%	0.638	S	S	.	*			trans	-109.1	124.7	179.8	-42.7	0	0	0	0	109.8	V325	V325-T635 HydrophobicContact CG2-CG2 4.44Å
636	P	52.7	Low	45.5	Very low	17 Å²	17	126.6 Å²	126.6	11%	0.11	63%	0.629	C	S	.	*	P	Polyproline II helix	trans	-74.2	119.8	169.2	-6.5	24.4	0	0	0	111	L272 F296 N324	L272-P636 HydrophobicContact CD2-CB 3.59Å; L272-P636 HydrophobicContact CD2-CG 4.25Å; F296-P636 HydrophobicContact CD2-CB 4.07Å; F296-P636 HydrophobicContact CE2-CB 3.82Å; F296-P636 HydrophobicContact CE2-CG 3.78Å; F296-P636 HydrophobicContact CZ-CG 4.3Å; N324-P636 WeakPolarHBondContact O-CD 3.34Å
637	N	45	Very low	46.4	Very low	132 Å²	132	125.1 Å²	125.1	71%	0.706	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-87	121.3	166.7	-87.6	-15.3	0	0	0	109.4
638	K	46.1	Very low	46.9	Very low	167 Å²	167	126.9 Å²	126.9	73%	0.726	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-82	117.2	156.2	-91.5	-179.2	174.3	172	0	107.2	K640	K638-K640 PolarHBondContact O-N 2.69Å
639	S	39.8	Very low	47.5	Very low	102 Å²	102	122.1 Å²	122.1	71%	0.713	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-56.7	121.6	157.1	45.3	0	0	0	0	106.9	K641	S639-K641 PolarHBondContact O-N 3.36Å
640	K	35.7	Very low	47.9	Very low	185 Å²	185	125.9 Å²	125.9	80%	0.804	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-54.1	128.2	169.3	-79.2	177	174.1	177.3	0	106.5	K638 D642	K638-K640 PolarHBondContact O-N 2.69Å; K640-D642 VanDerWaalsContact C-N 3.34Å; K640-D642 PolarHBondContact O-N 3.48Å
641	K	35.7	Very low	47.8	Very low	194 Å²	194	129.3 Å²	129.3	84%	0.843	65%	0.654	S	S	*	*			trans	-57.2	105.9	160.8	-84.2	-178.3	171.2	-178.3	0	105.9	S639 N643	S639-K641 PolarHBondContact O-N 3.36Å; K641-N643 PolarHBondContact O-N 2.93Å; K641-N643 VanDerWaalsContact O-N 3.16Å
642	D	37.9	Very low	47.5	Very low	140 Å²	140	132.4 Å²	132.4	75%	0.749	67%	0.67	S	S	*	*			trans	-64.7	110.9	166.8	-71.7	-32.1	0	0	0	106.5	K640 L644	K640-D642 VanDerWaalsContact C-N 3.34Å; K640-D642 PolarHBondContact O-N 3.48Å; D642-L644 PolarHBondContact O-N 3.32Å
643	N	27.2	Very low	45.7	Very low	163 Å²	163	130.6 Å²	130.6	87%	0.872	68%	0.677	S	S	*	*			trans	-71.9	104.6	163.6	-80.7	-22.2	0	0	0	107.3	K641	K641-N643 PolarHBondContact O-N 2.93Å; K641-N643 VanDerWaalsContact O-N 3.16Å
644	L	31.6	Very low	44.2	Very low	237 Å²	237	134.1 Å²	134.1	100%	1.241	69%	0.687	S	S	*	*			trans	-142.4	0	153.7	-98.9	146.2	0	0	0	105.4	D642	D642-L644 PolarHBondContact O-N 3.32Å

Retrieved 644 of 644 residues in 1075.2 ms (Link to these results)

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