A0A061IAF0_CRIGR Loading...

Carboxylesterase 3 isoform X1

AlphaFold DB , UniProt , Accession A0A061IAF0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ces3, Length 571 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	30.8	Very low	243 Å²	243	148.1 Å²	148.1	100%	1.197	82%	0.824	S	S	*	*				0	123.8	0	-93	176.2	-99.7	0	0	108
2	R	32.7	Very low	30.8	Very low	214 Å²	214	146 Å²	146	81%	0.808	83%	0.827	S	S	*	*			trans	13.5	139.3	143.7	-75.2	176.6	178.4	-164.3	2.7	116.8
3	H	29.1	Very low	31.1	Very low	131 Å²	131	143.8 Å²	143.8	61%	0.606	83%	0.826	S	S	*	*			cis	-176.8	153.4	28.6	-114.3	-35.9	0	0	0	110.2
4	M	31.5	Very low	31.2	Very low	158 Å²	158	145.2 Å²	145.2	78%	0.778	83%	0.827	S	S	*	*			trans	47.7	130.9	133.2	-65.1	158.8	71.1	0	0	118.9
5	G	29.5	Very low	31.4	Very low	64 Å²	64	145.4 Å²	145.4	66%	0.66	82%	0.824	S	S	*	*			cis	100.8	108.7	24.6	0	0	0	0	0	110
6	T	30.3	Very low	31.4	Very low	136 Å²	136	144.1 Å²	144.1	83%	0.834	82%	0.819	S	S	*	*			trans	-157	113.6	158.6	20	0	0	0	0	112.8
7	M	30	Very low	31.6	Very low	181 Å²	181	149.2 Å²	149.2	89%	0.892	82%	0.823	S	S	*	*			trans	66.5	118.1	133.5	-81.1	-176.6	80	0	0	121.3
8	V	31	Very low	31.7	Very low	137 Å²	137	148.1 Å²	148.1	83%	0.83	82%	0.82	S	S	*	*			trans	-80.5	140.6	170.3	172.8	0	0	0	0	110.2
9	Q	29.9	Very low	31.9	Very low	195 Å²	195	144.8 Å²	144.8	91%	0.911	82%	0.815	S	S	*	*			trans	-142.1	127.7	153.1	-138.6	174.1	-1.6	0	0	109.4
10	A	30.8	Very low	32	Very low	100 Å²	100	143.9 Å²	143.9	83%	0.826	82%	0.816	S	S	*	*			trans	-79.1	144.1	-177.1	0	0	0	0	0	111.7
11	G	30.1	Very low	32.2	Very low	70 Å²	70	144.5 Å²	144.5	72%	0.722	82%	0.817	S	S	*	*			trans	-165	110.9	171.2	0	0	0	0	0	110.2
12	S	30.7	Very low	32.5	Very low	123 Å²	123	140.7 Å²	140.7	86%	0.86	80%	0.801	S	S	*	*			trans	-59.1	143	-175	-51.7	0	0	0	0	113.7
13	S	34.3	Very low	32.8	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	80%	0.797	S	S	*	*			trans	-144.1	124.8	162.7	-71.4	0	0	0	0	109.8
14	I	32.9	Very low	33.1	Very low	164 Å²	164	139.6 Å²	139.6	84%	0.841	81%	0.809	S	S	*	*			trans	-73.7	129.7	-175.4	-66.3	164.3	0	0	0	109.1
15	L	34.1	Very low	33.5	Very low	148 Å²	148	140.8 Å²	140.8	78%	0.775	81%	0.81	S	S	*	*			trans	-130.4	114.6	169.2	-107.2	146.3	0	0	0	108.7
16	V	31.2	Very low	34	Very low	124 Å²	124	142.9 Å²	142.9	75%	0.752	81%	0.812	S	S	*	*			trans	-71.9	119.6	-179.6	174.5	0	0	0	0	109
17	W	34.7	Very low	34.4	Very low	231 Å²	231	140.8 Å²	140.8	88%	0.875	81%	0.808	S	S	*	*			trans	-105.4	120.4	169	-80.2	90.2	0	0	0	109.4	A19	W17-A19 PolarHBondContact O-N 3.16Å
18	V	33.9	Very low	34.7	Very low	129 Å²	129	137.8 Å²	137.8	78%	0.782	80%	0.8	S	S	*	*			trans	-77.9	110.4	172.3	175.4	0	0	0	0	107.8
19	A	35.6	Very low	35	Very low	86 Å²	86	137.7 Å²	137.7	71%	0.711	80%	0.799	S	S	*	*			trans	-92	121.8	174.5	0	0	0	0	0	110.2	W17 L21	W17-A19 PolarHBondContact O-N 3.16Å; A19-L21 PolarHBondContact O-N 3.1Å
20	C	33.5	Very low	35.4	Very low	126 Å²	126	133.8 Å²	133.8	85%	0.851	79%	0.789	S	S	*	*			trans	-67.1	108.4	168.3	-73.1	0	0	0	0	109.8	L22	C20-L22 PolarHBondContact O-N 2.69Å
21	L	36.1	Very low	35.8	Very low	157 Å²	157	131.6 Å²	131.6	82%	0.822	78%	0.777	S	S	*	*			trans	-72.8	105.4	168.6	-85.7	152.2	0	0	0	109.5	A19 L23	A19-L21 PolarHBondContact O-N 3.1Å; L21-L23 PolarHBondContact O-N 3.38Å
22	L	40.2	Very low	36.7	Very low	164 Å²	164	132.8 Å²	132.8	86%	0.859	78%	0.779	S	S	*	*			trans	-69.5	104.7	156.6	-74.7	165.1	0	0	0	107.1	C20 E24	C20-L22 PolarHBondContact O-N 2.69Å; L22-E24 PolarHBondContact O-N 3.19Å; L22-E24 VanDerWaalsContact O-N 3.08Å
23	L	38.8	Very low	37.8	Very low	140 Å²	140	134.3 Å²	134.3	73%	0.733	78%	0.778	S	S	*	*			trans	-72	94.8	167.4	-75	164.8	0	0	0	107.8	L21 F25	L21-L23 PolarHBondContact O-N 3.38Å; L23-F25 PolarHBondContact O-N 2.86Å; L23-F25 VanDerWaalsContact O-N 3.11Å
24	E	36.9	Very low	39.3	Very low	182 Å²	182	132.4 Å²	132.4	85%	0.85	76%	0.761	S	S	*	*			trans	-63.7	105.2	158.7	-71	-172	172.2	0	0	107.5	L22 P26	L22-E24 PolarHBondContact O-N 3.19Å; L22-E24 VanDerWaalsContact O-N 3.08Å; E24-P26 WeakPolarHBondContact O-CD 3.19Å
25	F	39.2	Very low	41.8	Very low	183 Å²	183	128.1 Å²	128.1	80%	0.803	74%	0.743	S	S	*	*			trans	-67	120.3	163	-79.1	-89	0	0	0	107	L23 A27	L23-F25 PolarHBondContact O-N 2.86Å; L23-F25 VanDerWaalsContact O-N 3.11Å; F25-A27 PolarHBondContact O-N 2.9Å
26	P	39.2	Very low	44.4	Very low	108 Å²	108	125 Å²	125	70%	0.701	72%	0.724	S	S	*	*			trans	-63.4	108.6	168	25.5	-29.5	0	0	0	106.6	E24 T28	E24-P26 WeakPolarHBondContact O-CD 3.19Å; P26-T28 PolarHBondContact O-N 2.8Å
27	A	38.9	Very low	47.3	Very low	91 Å²	91	120 Å²	120	75%	0.752	69%	0.694	S	S	*	*			trans	-60.6	94.9	160.7	0	0	0	0	0	105.9	F25 V29	F25-A27 PolarHBondContact O-N 2.9Å; A27-V29 VanDerWaalsContact C-N 3.26Å; A27-V29 PolarHBondContact O-N 3.26Å
28	T	37.2	Very low	50.2	Low	118 Å²	118	112.9 Å²	112.9	72%	0.724	67%	0.67	S	S	*	*			trans	-61.9	100.6	162.1	36.1	0	0	0	0	105	P26 T30	P26-T28 PolarHBondContact O-N 2.8Å; T28-T30 PolarHBondContact O-N 3.49Å
29	V	37	Very low	53.1	Low	135 Å²	135	107.7 Å²	107.7	82%	0.818	64%	0.639	S	S	*	*			trans	-62.5	90.3	160.8	177.7	0	0	0	0	104.6	A27 G31	A27-V29 VanDerWaalsContact C-N 3.26Å; A27-V29 PolarHBondContact O-N 3.26Å; V29-G31 VanDerWaalsContact C-N 3.32Å; V29-G31 PolarHBondContact O-N 2.91Å
30	T	38.4	Very low	55.9	Low	113 Å²	113	109.2 Å²	109.2	69%	0.693	64%	0.635	S	S	*	*			trans	-61.7	102.7	164.6	50.3	0	0	0	0	105	T28 A32	T28-T30 PolarHBondContact O-N 3.49Å; T30-A32 PolarHBondContact O-N 3.24Å
31	G	39.2	Very low	58.7	Low	55 Å²	55	104 Å²	104	57%	0.567	60%	0.599	S	S	*	*			trans	-48	141.5	164.4	0	0	0	0	0	108.2	V29 N33	V29-G31 VanDerWaalsContact C-N 3.32Å; V29-G31 PolarHBondContact O-N 2.91Å; G31-N33 PolarHBondContact O-N 2.99Å
32	A	48.3	Very low	61.3	Low	94 Å²	94	101 Å²	101	78%	0.777	59%	0.59	S	S	*	*			trans	-43.7	119.6	-178.9	0	0	0	0	0	109.7	T30 V34	T30-A32 PolarHBondContact O-N 3.24Å; A32-V34 VanDerWaalsContact C-N 3.32Å; A32-V34 PolarHBondContact O-N 3.33Å
33	N	53.5	Low	63.9	Low	155 Å²	155	94.4 Å²	94.4	83%	0.829	56%	0.555	S	S	*	*			trans	-60.8	97.9	176.1	-92.1	-17.2	0	0	0	107.5	G31 T35	G31-N33 PolarHBondContact O-N 2.99Å; N33-T35 PolarHBondContact O-N 2.73Å
34	V	66.5	Low	66.6	Low	78 Å²	78	88.5 Å²	88.5	47%	0.473	53%	0.528	S	S	.	.			trans	-69.1	106	175.3	179.9	0	0	0	0	106.9	A32 H36 R49	A32-V34 VanDerWaalsContact C-N 3.32Å; A32-V34 PolarHBondContact O-N 3.33Å; V34-H36 PolarHBondContact O-N 3.46Å; V34-R49 HydrophobicContact CG1-CB 4.21Å
35	T	84.7	Confident	69.5	Low	73 Å²	73	84.7 Å²	84.7	45%	0.448	51%	0.506	S	S	.	.			trans	-61.7	136.8	174	-49.2	0	0	0	0	109.6	N33 P37 Q50	N33-T35 PolarHBondContact O-N 2.73Å; T35-P37 VanDerWaalsContact O-CD 3.26Å; T35-P37 WeakPolarHBondContact O-CD 3.41Å; T35-Q50 PolarHBondContact O-N 3.08Å; T35-Q50 PolarHBondContact OG1-OE1 3.4Å
36	H	89.9	Confident	72.3	Confident	83 Å²	83	76 Å²	76	38%	0.384	47%	0.468	S	S	.	.			trans	-112.1	85.9	178.7	-64.4	-46.7	0	0	0	109.7	V34 R47 G48 R94	V34-H36 PolarHBondContact O-N 3.46Å; H36-R47 HydrophobicContact CB-CG 3.96Å; H36-G48 WeakPolarHBondContact CA-O 3.45Å; H36-R94 PolarHBondContact CE1-NH1 2.82Å; H36-R94 WeakPolarHBondContact ND1-CD 3.4Å; H36-R94 PolarHBondContact NE2-NH1 3.35Å
37	P	92.6	Very high	75.1	Confident	18 Å²	18	75.1 Å²	75.1	12%	0.117	45%	0.45	C	S	.	.			trans	-61.9	138.2	180	28.4	-37.8	0	0	0	110.4	T35 R47 G48 Q50 N61 F63	T35-P37 VanDerWaalsContact O-CD 3.26Å; T35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-R47 CarbonylContact O-C 3.45Å; P37-R47 WeakPolarHBondContact O-CA 3.44Å; P37-G48 PolarHBondContact O-N 3.34Å; P37-Q50 HydrophobicContact CG-CG 4.38Å; P37-N61 WeakPolarHBondContact CB-OD1 3.36Å; P37-N61 HydrophobicContact CG-CB 4.06Å; P37-N61 WeakPolarHBondContact CG-OD1 3.34Å; P37-F63 HydrophobicContact CB-CZ 4.2Å; P37-F63 HydrophobicContact CG-CE1 4.35Å; P37-F63 HydrophobicContact CG-CZ 4.02Å
38	E	94.9	Very high	77.8	Confident	82 Å²	82	70.8 Å²	70.8	38%	0.383	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138	169.8	-69.7	-172.5	-168.9	0	0	110	R45 V46 R47 V90	E38-R45 IonicContact OE2-NH1 2.8Å; E38-V46 CarbonylContact C-O 3.55Å; E38-V46 VanDerWaalsContact CA-O 3.26Å; E38-V46 WeakPolarHBondContact CA-O 3.5Å; E38-R47 HydrophobicContact CG-CB 4.03Å; E38-R47 HydrophobicContact CG-CG 4.05Å; E38-R47 IonicContact OE1-CZ 3.66Å; E38-R47 IonicContact OE1-NE 3.67Å; E38-R47 PolarHBondContact OE1-NE 3.19Å; E38-R47 IonicContact OE1-NH2 3.96Å; E38-R47 PolarHBondContact OE1-NH2 3.42Å; E38-V90 HydrophobicContact CG-CG1 4.49Å
39	V	94.3	Very high	80.6	Confident	20 Å²	20	69.2 Å²	69.2	12%	0.121	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127	177	176.4	0	0	0	0	108.8	T41 R45 V46 F63 P218 F219	V39-T41 HydrophobicContact CG1-CG2 4.26Å; V39-R45 WeakPolarHBondContact O-CA 3.45Å; V39-V46 PolarHBondContact N-O 2.87Å; V39-V46 PolarHBondContact O-N 2.89Å; V39-F63 HydrophobicContact CB-CE1 4.35Å; V39-F63 HydrophobicContact CB-CZ 4.35Å; V39-F63 HydrophobicContact CG2-CE1 3.84Å; V39-F63 HydrophobicContact CG2-CE2 4.2Å; V39-F63 HydrophobicContact CG2-CZ 3.4Å; V39-F63 VanDerWaalsContact CG2-CZ 3.4Å; V39-P218 HydrophobicContact CG1-CB 3.49Å; V39-P218 VanDerWaalsContact CG1-CB 3.49Å; V39-F219 HydrophobicContact CB-CD1 4.39Å; V39-F219 HydrophobicContact CB-CE1 4Å; V39-F219 HydrophobicContact CB-CZ 4.38Å; V39-F219 HydrophobicContact CG1-CD1 4.1Å; V39-F219 HydrophobicContact CG1-CD2 4.44Å; V39-F219 HydrophobicContact CG1-CE1 3.9Å; V39-F219 HydrophobicContact CG1-CE2 4.25Å; V39-F219 HydrophobicContact CG1-CG 4.36Å; V39-F219 HydrophobicContact CG1-CZ 3.98Å; V39-F219 HydrophobicContact CG2-CD1 4.17Å; V39-F219 HydrophobicContact CG2-CE1 4.17Å
40	D	93.8	Very high	83.4	Confident	118 Å²	118	65 Å²	65	63%	0.631	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.6	170.6	-68.1	-68.8	0	0	0	109.8	R45 P218	D40-R45 WeakPolarHBondContact OD1-CD 3.46Å; D40-R45 WeakPolarHBondContact OD1-CG 3.48Å; D40-P218 VanDerWaalsContact O-CB 3.24Å; D40-P218 WeakPolarHBondContact O-CB 3.4Å; D40-P218 WeakPolarHBondContact O-CG 3.41Å
41	T	92.8	Very high	86.1	Confident	16 Å²	16	60.7 Å²	60.7	10%	0.098	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	160.8	173.4	80	0	0	0	0	110.3	V39 L43 G44 V46 F219	V39-T41 HydrophobicContact CG1-CG2 4.26Å; T41-L43 PolarHBondContact O-N 2.97Å; T41-L43 PolarHBondContact OG1-N 2.76Å; T41-G44 WeakPolarHBondContact CB-O 3.44Å; T41-G44 PolarHBondContact N-O 3.3Å; T41-G44 VanDerWaalsContact N-O 3.12Å; T41-G44 PolarHBondContact O-N 2.64Å; T41-G44 PolarHBondContact OG1-N 3.42Å; T41-G44 PolarHBondContact OG1-O 2.98Å; T41-V46 HydrophobicContact CG2-CG2 3.91Å; T41-F219 HydrophobicContact CG2-CE2 3.68Å; T41-F219 HydrophobicContact CG2-CZ 3.67Å
42	P	91.7	Very high	88.7	Confident	96 Å²	96	59.4 Å²	59.4	62%	0.623	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.1	171.6	-27.1	35.1	0	0	0	114.7	N215	P42-N215 WeakPolarHBondContact CD-OD1 3.42Å
43	L	94.7	Very high	91	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.131	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-12.6	-179.9	-60.9	172.4	0	0	0	113.4	T41 P84 P86 W87 W211	T41-L43 PolarHBondContact O-N 2.97Å; T41-L43 PolarHBondContact OG1-N 2.76Å; L43-P84 HydrophobicContact CD1-CB 4.18Å; L43-P84 HydrophobicContact CD1-CG 3.55Å; L43-P84 HydrophobicContact CD2-CG 4.18Å; L43-P86 CarbonylContact O-C 3.56Å; L43-P86 WeakPolarHBondContact O-CA 3.46Å; L43-P86 WeakPolarHBondContact O-CB 3.39Å; L43-W87 HydrophobicContact CB-CE3 4.2Å; L43-W87 HydrophobicContact CB-CH2 3.69Å; L43-W87 HydrophobicContact CB-CZ2 4.35Å; L43-W87 HydrophobicContact CB-CZ3 3.61Å; L43-W87 HydrophobicContact CD1-CH2 4.4Å; L43-W87 HydrophobicContact CD1-CZ3 4.2Å; L43-W87 PolarHBondContact O-N 2.83Å; L43-W211 VanDerWaalsContact CD1-NE1 3.25Å
44	G	95.4	Very high	93.1	Very high	16 Å²	16	51.4 Å²	51.4	17%	0.165	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136	175.1	-174.6	0	0	0	0	0	112.6	T41	T41-G44 WeakPolarHBondContact CB-O 3.44Å; T41-G44 PolarHBondContact N-O 3.3Å; T41-G44 VanDerWaalsContact N-O 3.12Å; T41-G44 PolarHBondContact O-N 2.64Å; T41-G44 PolarHBondContact OG1-N 3.42Å; T41-G44 PolarHBondContact OG1-O 2.98Å
45	R	97.3	Very high	94.5	Very high	102 Å²	102	51.2 Å²	51.2	39%	0.385	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	143.5	-178.8	-73	-177	-67	164.8	-6	111.9	E38 V39 D40 W87 V90 R91	E38-R45 IonicContact OE2-NH1 2.8Å; V39-R45 WeakPolarHBondContact O-CA 3.45Å; D40-R45 WeakPolarHBondContact OD1-CD 3.46Å; D40-R45 WeakPolarHBondContact OD1-CG 3.48Å; R45-W87 PolarHBondContact O-NE1 3.39Å; R45-V90 HydrophobicContact CB-CB 4.36Å; R45-V90 HydrophobicContact CB-CG1 4.35Å; R45-V90 HydrophobicContact CB-CG2 3.96Å; R45-R91 PolarHBondContact O-N 3.03Å
46	V	97.4	Very high	94.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.1	177.8	-162.9	0	0	0	0	109.3	E38 V39 T41 F63 I66 W87 A93 F219	E38-V46 CarbonylContact C-O 3.55Å; E38-V46 VanDerWaalsContact CA-O 3.26Å; E38-V46 WeakPolarHBondContact CA-O 3.5Å; V39-V46 PolarHBondContact N-O 2.87Å; V39-V46 PolarHBondContact O-N 2.89Å; T41-V46 HydrophobicContact CG2-CG2 3.91Å; V46-F63 HydrophobicContact CB-CD1 4.3Å; V46-F63 HydrophobicContact CG1-CD1 3.9Å; V46-I66 HydrophobicContact CG1-CD1 4.13Å; V46-I66 HydrophobicContact CG1-CG1 4.06Å; V46-W87 HydrophobicContact CG2-CH2 4.45Å; V46-W87 HydrophobicContact CG2-CZ2 3.75Å; V46-A93 HydrophobicContact CG1-CB 3.39Å; V46-F219 HydrophobicContact CG2-CZ 4.5Å
47	R	97.7	Very high	95	Very high	89 Å²	89	53.2 Å²	53.2	34%	0.336	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.4	174.7	-175.6	-177.8	-70.1	168.2	-2.6	110.7	H36 P37 E38 V90 R91 A93	H36-R47 HydrophobicContact CB-CG 3.96Å; P37-R47 CarbonylContact O-C 3.45Å; P37-R47 WeakPolarHBondContact O-CA 3.44Å; E38-R47 HydrophobicContact CG-CB 4.03Å; E38-R47 HydrophobicContact CG-CG 4.05Å; E38-R47 IonicContact OE1-CZ 3.66Å; E38-R47 IonicContact OE1-NE 3.67Å; E38-R47 PolarHBondContact OE1-NE 3.19Å; E38-R47 IonicContact OE1-NH2 3.96Å; E38-R47 PolarHBondContact OE1-NH2 3.42Å; R47-V90 HydrophobicContact CB-CG1 3.59Å; R47-R91 PolarHBondContact N-O 3.27Å; R47-A93 CarbonylContact O-C 3.45Å; R47-A93 WeakPolarHBondContact O-CA 3.44Å; R47-A93 WeakPolarHBondContact O-CB 3.43Å; R47-A93 PolarHBondContact O-N 3.4Å
48	G	96.9	Very high	95	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.			trans	-103.7	-161.9	178	0	0	0	0	0	113.2	H36 P37 V62 R94	H36-G48 WeakPolarHBondContact CA-O 3.45Å; P37-G48 PolarHBondContact O-N 3.34Å; G48-V62 CarbonylContact C-O 3.56Å; G48-V62 WeakPolarHBondContact CA-O 3.43Å; G48-R94 VanDerWaalsContact C-CG 3.5Å; G48-R94 WeakPolarHBondContact O-CD 3.38Å; G48-R94 VanDerWaalsContact O-CG 3.28Å; G48-R94 WeakPolarHBondContact O-CG 3.37Å
49	R	95.6	Very high	95	Very high	85 Å²	85	55.3 Å²	55.3	32%	0.321	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150	172.4	61.7	-178.8	-179.1	128.4	-0.7	110.4	V34 V51 V62 R94	V34-R49 HydrophobicContact CG1-CB 4.21Å; R49-V51 HydrophobicContact CG-CG1 4.36Å; R49-V62 HydrophobicContact CG-CB 4.32Å; R49-V62 PolarHBondContact N-O 3.2Å; R49-V62 PolarHBondContact O-N 3.44Å; R49-R94 HydrophobicContact CB-CG 4.2Å
50	Q	95.1	Very high	95.1	Very high	48 Å²	48	54.4 Å²	54.4	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.3	168.3	-78.4	178.4	-4.8	0	0	111.3	T35 P37 V60 N61 T136	T35-Q50 PolarHBondContact O-N 3.08Å; T35-Q50 PolarHBondContact OG1-OE1 3.4Å; P37-Q50 HydrophobicContact CG-CG 4.38Å; Q50-V60 CarbonylContact C-O 3.6Å; Q50-V60 VanDerWaalsContact CA-O 3.29Å; Q50-V60 WeakPolarHBondContact CA-O 3.42Å; Q50-N61 WeakPolarHBondContact CG-OD1 3.27Å; Q50-N61 PolarHBondContact NE2-OD1 3Å; Q50-T136 HydrophobicContact CG-CG2 3.83Å
51	V	95.2	Very high	95.3	Very high	21 Å²	21	49.7 Å²	49.7	13%	0.127	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.6	173.8	-54.3	0	0	0	0	110.1	R49 L59 V60 V62	R49-V51 HydrophobicContact CG-CG1 4.36Å; V51-L59 WeakPolarHBondContact O-CA 3.39Å; V51-V60 HydrophobicContact CG2-CB 4.02Å; V51-V60 PolarHBondContact N-O 2.94Å; V51-V60 PolarHBondContact O-N 3.22Å; V51-V62 HydrophobicContact CB-CG2 4.49Å; V51-V62 HydrophobicContact CG1-CG2 4.13Å; V51-V62 HydrophobicContact CG2-CG2 3.58Å
52	G	95.4	Very high	95.5	Very high	28 Å²	28	49 Å²	49	29%	0.289	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	166.1	171.2	0	0	0	0	0	112	T474	G52-T474 VanDerWaalsContact O-CG2 3.3Å; G52-T474 WeakPolarHBondContact O-CG2 3.4Å
53	V	96.4	Very high	95.8	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.055	24%	0.24	C	C	.	.			trans	-128.1	135.6	174.3	173.9	0	0	0	0	108.1	T56 V60 A167 A170 Y171 F472	V53-T56 HydrophobicContact CB-CG2 3.9Å; V53-T56 HydrophobicContact CG1-CG2 3.98Å; V53-T56 VanDerWaalsContact O-O 3.05Å; V53-V60 HydrophobicContact CG2-CG2 4.19Å; V53-A167 HydrophobicContact CG1-CB 3.82Å; V53-A170 HydrophobicContact CB-CB 4.13Å; V53-A170 HydrophobicContact CG1-CB 4.41Å; V53-A170 HydrophobicContact CG2-CB 3.79Å; V53-Y171 HydrophobicContact CG1-CD2 4.12Å; V53-Y171 HydrophobicContact CG1-CE2 3.58Å; V53-F472 HydrophobicContact CG1-CB 3.87Å
54	K	96.7	Very high	95.9	Very high	73 Å²	73	43.7 Å²	43.7	32%	0.317	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	140.8	-179.6	-62.7	171.4	173.8	163.3	0	109.9	Y171 F472 L473 T474 E476	K54-Y171 PolarHBondContact O-OH 3.22Å; K54-F472 WeakPolarHBondContact CB-O 3.34Å; K54-F472 PolarHBondContact N-O 3.47Å; K54-F472 WeakPolarHBondContact O-CB 3.38Å; K54-F472 WeakPolarHBondContact O-CD1 3.34Å; K54-L473 WeakPolarHBondContact CD-O 3.34Å; K54-L473 WeakPolarHBondContact CE-O 3.27Å; K54-L473 PolarHBondContact NZ-O 3.12Å; K54-T474 HydrophobicContact CG-CG2 4.12Å; K54-E476 IonicContact NZ-OE1 3.77Å; K54-E476 PolarHBondContact NZ-OE1 3.28Å
55	G	95.5	Very high	96	Very high	74 Å²	74	43.3 Å²	43.3	76%	0.763	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	3.2	175.9	0	0	0	0	0	115.4	Y171	G55-Y171 VanDerWaalsContact CA-OH 3.32Å; G55-Y171 WeakPolarHBondContact CA-OH 3.45Å; G55-Y171 PolarHBondContact O-OH 3.43Å
56	T	94.3	Very high	96.1	Very high	36 Å²	36	38.4 Å²	38.4	22%	0.221	21%	0.213	C	C	.	.			trans	-146.1	153.6	174	179.7	0	0	0	0	110.4	V53 H58 A170 Y171	V53-T56 HydrophobicContact CB-CG2 3.9Å; V53-T56 HydrophobicContact CG1-CG2 3.98Å; V53-T56 VanDerWaalsContact O-O 3.05Å; T56-H58 VanDerWaalsContact C-N 3.28Å; T56-H58 HydrophobicContact CG2-CB 4.14Å; T56-H58 WeakPolarHBondContact OG1-CB 3.48Å; T56-H58 PolarHBondContact OG1-N 3.34Å; T56-H58 VanDerWaalsContact OG1-N 3.13Å; T56-A170 HydrophobicContact CG2-CB 4.33Å; T56-Y171 HydrophobicContact CG2-CE1 4.37Å; T56-Y171 HydrophobicContact CG2-CE2 4.12Å
57	D	92.4	Very high	96.1	Very high	161 Å²	161	39.1 Å²	39.1	86%	0.861	22%	0.217	S	C	*	.	S	Bend	trans	-85.5	-4.2	171.9	-65	-37.9	0	0	0	112.1	L59	D57-L59 PolarHBondContact O-N 3.04Å
58	H	92.1	Very high	96.1	Very high	75 Å²	75	35 Å²	35	35%	0.347	20%	0.202	S	C	.	.			trans	-66.7	126.1	177.5	-66	-172.3	0	0	0	110.8	T56 A170	T56-H58 VanDerWaalsContact C-N 3.28Å; T56-H58 HydrophobicContact CG2-CB 4.14Å; T56-H58 WeakPolarHBondContact OG1-CB 3.48Å; T56-H58 PolarHBondContact OG1-N 3.34Å; T56-H58 VanDerWaalsContact OG1-N 3.13Å; H58-A170 HydrophobicContact CB-CB 4.12Å; H58-A170 PolarHBondContact ND1-O 2.82Å
59	L	94.4	Very high	96.2	Very high	70 Å²	70	35.3 Å²	35.3	37%	0.366	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	160.2	173.1	-58.5	177.6	0	0	0	110.7	V51 D57 T136	V51-L59 WeakPolarHBondContact O-CA 3.39Å; D57-L59 PolarHBondContact O-N 3.04Å; L59-T136 HydrophobicContact CB-CG2 3.51Å; L59-T136 WeakPolarHBondContact CB-OG1 3.36Å; L59-T136 WeakPolarHBondContact O-CG2 3.31Å; L59-T136 PolarHBondContact O-N 3.27Å; L59-T136 PolarHBondContact O-OG1 2.92Å; L59-T136 VanDerWaalsContact O-OG1 3.12Å
60	V	96.6	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.5	179.7	-177.2	0	0	0	0	110.3	Q50 V51 V53 V62 S134 S166 A169 A170	Q50-V60 CarbonylContact C-O 3.6Å; Q50-V60 VanDerWaalsContact CA-O 3.29Å; Q50-V60 WeakPolarHBondContact CA-O 3.42Å; V51-V60 HydrophobicContact CG2-CB 4.02Å; V51-V60 PolarHBondContact N-O 2.94Å; V51-V60 PolarHBondContact O-N 3.22Å; V53-V60 HydrophobicContact CG2-CG2 4.19Å; V60-V62 HydrophobicContact CB-CG2 4.48Å; V60-V62 HydrophobicContact CG1-CG2 3.97Å; V60-S134 CarbonylContact C-O 3.49Å; V60-S134 WeakPolarHBondContact CA-O 3.21Å; V60-S134 WeakPolarHBondContact CG1-O 3.35Å; V60-S166 WeakPolarHBondContact CG2-O 3.4Å; V60-A169 HydrophobicContact CG1-CB 4.33Å; V60-A170 HydrophobicContact CG2-CB 3.8Å
61	N	96.8	Very high	96.5	Very high	20 Å²	20	32.9 Å²	32.9	11%	0.107	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.4	165.1	-64.7	-43.9	0	0	0	109.1	P37 Q50 F63 S134 T136	P37-N61 WeakPolarHBondContact CB-OD1 3.36Å; P37-N61 HydrophobicContact CG-CB 4.06Å; P37-N61 WeakPolarHBondContact CG-OD1 3.34Å; Q50-N61 WeakPolarHBondContact CG-OD1 3.27Å; Q50-N61 PolarHBondContact NE2-OD1 3Å; N61-F63 HydrophobicContact CB-CE2 3.73Å; N61-F63 HydrophobicContact CB-CZ 4.18Å; N61-S134 PolarHBondContact N-O 2.9Å; N61-S134 PolarHBondContact O-N 3.05Å; N61-T136 WeakPolarHBondContact OD1-CG2 3.5Å
62	V	97.6	Very high	96.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.1	-178.3	-177.4	0	0	0	0	110.1	G48 R49 V51 V60 L64 I132 Y133	G48-V62 CarbonylContact C-O 3.56Å; G48-V62 WeakPolarHBondContact CA-O 3.43Å; R49-V62 HydrophobicContact CG-CB 4.32Å; R49-V62 PolarHBondContact N-O 3.2Å; R49-V62 PolarHBondContact O-N 3.44Å; V51-V62 HydrophobicContact CB-CG2 4.49Å; V51-V62 HydrophobicContact CG1-CG2 4.13Å; V51-V62 HydrophobicContact CG2-CG2 3.58Å; V60-V62 HydrophobicContact CB-CG2 4.48Å; V60-V62 HydrophobicContact CG1-CG2 3.97Å; V62-L64 HydrophobicContact CG1-CD1 4.47Å; V62-L64 HydrophobicContact CG1-CD2 3.51Å; V62-L64 HydrophobicContact CG1-CG 3.88Å; V62-I132 WeakPolarHBondContact CA-O 3.47Å; V62-Y133 HydrophobicContact CB-CD1 4.47Å; V62-Y133 HydrophobicContact CG1-CD1 3.99Å; V62-Y133 HydrophobicContact CG1-CE1 3.78Å; V62-Y133 HydrophobicContact CG2-CD1 3.81Å; V62-Y133 HydrophobicContact CG2-CE1 4.25Å
63	F	98.1	Very high	96.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.5	175.5	-51.3	-96.3	0	0	0	109.1	P37 V39 V46 N61 I66 A93 N131 I132 F219	P37-F63 HydrophobicContact CB-CZ 4.2Å; P37-F63 HydrophobicContact CG-CE1 4.35Å; P37-F63 HydrophobicContact CG-CZ 4.02Å; V39-F63 HydrophobicContact CB-CE1 4.35Å; V39-F63 HydrophobicContact CB-CZ 4.35Å; V39-F63 HydrophobicContact CG2-CE1 3.84Å; V39-F63 HydrophobicContact CG2-CE2 4.2Å; V39-F63 HydrophobicContact CG2-CZ 3.4Å; V39-F63 VanDerWaalsContact CG2-CZ 3.4Å; V46-F63 HydrophobicContact CB-CD1 4.3Å; V46-F63 HydrophobicContact CG1-CD1 3.9Å; N61-F63 HydrophobicContact CB-CE2 3.73Å; N61-F63 HydrophobicContact CB-CZ 4.18Å; F63-I66 HydrophobicContact CB-CD1 3.73Å; F63-I66 HydrophobicContact CB-CG1 4.38Å; F63-A93 HydrophobicContact CB-CB 4.14Å; F63-N131 CarbonylContact O-C 3.45Å; F63-N131 VanDerWaalsContact O-CA 3.24Å; F63-N131 WeakPolarHBondContact O-CA 3.08Å; F63-I132 HydrophobicContact CB-CB 4.45Å; F63-I132 HydrophobicContact CD2-CB 4.4Å; F63-I132 PolarHBondContact N-O 3.31Å; F63-I132 PolarHBondContact O-N 2.93Å; F63-F219 HydrophobicContact CD1-CE1 4.17Å; F63-F219 AromaticContact CD2-CD1 3.81Å; F63-F219 HydrophobicContact CD2-CD1 3.81Å; F63-F219 AromaticContact CD2-CE1 3.79Å; F63-F219 HydrophobicContact CD2-CE1 3.79Å; F63-F219 HydrophobicContact CE1-CE1 4.33Å; F63-F219 AromaticContact CE2-CD1 3.77Å; F63-F219 HydrophobicContact CE2-CD1 3.77Å; F63-F219 AromaticContact CE2-CE1 3.97Å; F63-F219 HydrophobicContact CE2-CE1 3.97Å; F63-F219 HydrophobicContact CG-CD1 4.41Å; F63-F219 AromaticContact CG-CE1 3.91Å; F63-F219 HydrophobicContact CG-CE1 3.91Å; F63-F219 HydrophobicContact CZ-CD1 4.33Å; F63-F219 HydrophobicContact CZ-CE1 4.25Å
64	L	98	Very high	96.6	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.1	-174.4	-52.9	179.5	0	0	0	110.9	V62 A93 T95 N96 N131	V62-L64 HydrophobicContact CG1-CD1 4.47Å; V62-L64 HydrophobicContact CG1-CD2 3.51Å; V62-L64 HydrophobicContact CG1-CG 3.88Å; L64-A93 PolarHBondContact N-O 3.03Å; L64-A93 VanDerWaalsContact O-CA 3.23Å; L64-A93 WeakPolarHBondContact O-CA 3.39Å; L64-A93 VanDerWaalsContact O-CB 3.24Å; L64-A93 WeakPolarHBondContact O-CB 3.48Å; L64-T95 WeakPolarHBondContact CB-O 3.47Å; L64-N96 WeakPolarHBondContact CD1-OD1 3.41Å; L64-N131 VanDerWaalsContact CA-OD1 3.24Å; L64-N131 WeakPolarHBondContact CA-OD1 3.45Å; L64-N131 HydrophobicContact CD2-CB 3.78Å
65	G	97.4	Very high	96.5	Very high	8 Å²	8	37.5 Å²	37.5	8%	0.082	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.5	31.8	170.6	0	0	0	0	0	115.6	R91 L130 N131	G65-R91 PolarHBondContact O-NH2 3.41Å; G65-L130 PolarHBondContact N-O 3.49Å; G65-N131 PolarHBondContact N-OD1 3.43Å
66	I	98.1	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.8	175.4	-58.6	173.6	0	0	0	108.8	V46 F63 F68 W87 I129 L130 I132 W211 F219	V46-I66 HydrophobicContact CG1-CD1 4.13Å; V46-I66 HydrophobicContact CG1-CG1 4.06Å; F63-I66 HydrophobicContact CB-CD1 3.73Å; F63-I66 HydrophobicContact CB-CG1 4.38Å; I66-F68 PolarHBondContact O-N 2.93Å; I66-W87 HydrophobicContact CG2-CH2 4.47Å; I66-I129 CarbonylContact O-C 3.54Å; I66-I129 WeakPolarHBondContact O-CA 3.16Å; I66-L130 HydrophobicContact CB-CD1 4.02Å; I66-L130 HydrophobicContact CD1-CD1 4.48Å; I66-L130 HydrophobicContact CG2-CD1 4.45Å; I66-L130 PolarHBondContact N-O 2.96Å; I66-L130 PolarHBondContact O-N 3.15Å; I66-I132 HydrophobicContact CD1-CD1 3.72Å; I66-I132 HydrophobicContact CD1-CG1 4.17Å; I66-W211 HydrophobicContact CG2-CH2 4.15Å; I66-W211 HydrophobicContact CG2-CZ2 3.58Å; I66-F219 HydrophobicContact CD1-CE1 4.17Å; I66-F219 HydrophobicContact CD1-CZ 3.91Å
67	P	97.9	Very high	96.7	Very high	15 Å²	15	35.4 Å²	35.4	10%	0.097	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126	-177.4	34.6	-35	0	0	0	109.6	W87 R91	P67-W87 HydrophobicContact CG-CE3 4.33Å; P67-W87 HydrophobicContact CG-CH2 4.42Å; P67-W87 HydrophobicContact CG-CZ3 3.71Å; P67-R91 VanDerWaalsContact CG-NH1 3.3Å
68	F	98.4	Very high	96.9	Very high	3 Å²	3	28 Å²	28	1%	0.013	16%	0.164	C	C	.	.	S	Bend	trans	-99.4	-8	173.9	67.9	-104.1	0	0	0	112.9	I66 P84 L128 I129 L130 V179 Q180 D204 A207 A208 W211	I66-F68 PolarHBondContact O-N 2.93Å; F68-P84 VanDerWaalsContact O-CD 3.26Å; F68-P84 WeakPolarHBondContact O-CD 3.45Å; F68-L128 WeakPolarHBondContact CD1-O 3.46Å; F68-L128 HydrophobicContact CE1-CB 4.19Å; F68-L128 HydrophobicContact CE2-CB 4.06Å; F68-L128 HydrophobicContact CE2-CD2 4.43Å; F68-L128 HydrophobicContact CZ-CB 3.8Å; F68-L128 HydrophobicContact CZ-CD2 3.93Å; F68-L128 HydrophobicContact CZ-CG 4.39Å; F68-L128 PolarHBondContact N-O 3Å; F68-L128 VanDerWaalsContact N-O 3.12Å; F68-I129 VanDerWaalsContact CD1-C 3.46Å; F68-I129 VanDerWaalsContact CE1-O 3.26Å; F68-I129 WeakPolarHBondContact CE1-O 3.49Å; F68-L130 HydrophobicContact CB-CD2 3.77Å; F68-L130 HydrophobicContact CB-CG 4.34Å; F68-L130 HydrophobicContact CD1-CB 4.22Å; F68-L130 HydrophobicContact CD1-CD2 4.09Å; F68-L130 HydrophobicContact CD1-CG 4.22Å; F68-L130 HydrophobicContact CG-CD2 4.29Å; F68-V179 HydrophobicContact CE1-CG1 4.15Å; F68-V179 HydrophobicContact CZ-CG1 4.47Å; F68-Q180 VanDerWaalsContact CE1-O 3.24Å; F68-Q180 WeakPolarHBondContact CE1-O 3.46Å; F68-Q180 WeakPolarHBondContact CZ-O 3.31Å; F68-D204 HydrophobicContact CE2-CB 4.32Å; F68-D204 WeakPolarHBondContact CE2-O 3.1Å; F68-D204 HydrophobicContact CZ-CB 4.28Å; F68-A207 HydrophobicContact CD2-CB 4.14Å; F68-A207 HydrophobicContact CE2-CB 4.2Å; F68-A208 HydrophobicContact CB-CB 4.48Å; F68-A208 HydrophobicContact CD1-CB 3.98Å; F68-A208 HydrophobicContact CD2-CB 3.83Å; F68-A208 HydrophobicContact CE1-CB 4.1Å; F68-A208 HydrophobicContact CE2-CB 3.99Å; F68-A208 HydrophobicContact CG-CB 3.84Å; F68-A208 HydrophobicContact CZ-CB 4.12Å; F68-W211 HydrophobicContact CB-CB 3.73Å; F68-W211 HydrophobicContact CB-CD2 4.37Å; F68-W211 HydrophobicContact CB-CG 3.7Å
69	A	98.5	Very high	97.1	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.041	16%	0.162	C	C	.	.	S	Bend	trans	-148.8	168.2	177.1	0	0	0	0	0	110.4	P81 L82 L128	A69-P81 HydrophobicContact CB-CB 3.91Å; A69-L82 CarbonylContact C-O 3.51Å; A69-L82 VanDerWaalsContact CA-O 3.27Å; A69-L82 WeakPolarHBondContact CA-O 3.46Å; A69-L82 WeakPolarHBondContact CB-O 3.42Å; A69-L128 HydrophobicContact CB-CB 4.06Å; A69-L128 HydrophobicContact CB-CD1 3.74Å
70	Q	98.4	Very high	97.2	Very high	54 Å²	54	25.6 Å²	25.6	25%	0.252	16%	0.164	S	C	.	.			trans	-64.7	144.9	166.7	-79.8	169.7	59.2	0	0	110.9	L76 L82 P83 Q85	Q70-L76 HydrophobicContact CB-CD1 4.43Å; Q70-L82 HydrophobicContact CB-CB 4.27Å; Q70-L82 HydrophobicContact CG-CB 4.45Å; Q70-L82 PolarHBondContact N-O 3.19Å; Q70-P83 WeakPolarHBondContact CG-O 3.5Å; Q70-P83 PolarHBondContact NE2-O 3.02Å; Q70-Q85 HydrophobicContact CG-CG 4.1Å
71	A	97.7	Very high	97.3	Very high	28 Å²	28	26.8 Å²	26.8	23%	0.231	17%	0.171	C	C	.	.			trans	-56	126.2	175.5	0	0	0	0	0	110.2	L73 D126	A71-L73 HydrophobicContact CB-CD1 3.96Å; A71-L73 HydrophobicContact CB-CG 3.88Å; A71-L73 PolarHBondContact O-N 3.02Å; A71-D126 HydrophobicContact CB-CB 3.95Å; A71-D126 VanDerWaalsContact CB-OD1 3.27Å; A71-D126 WeakPolarHBondContact CB-OD1 3.44Å
72	P	97.3	Very high	97.4	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.039	19%	0.185	C	C	.	.			trans	-80.5	59	-175.6	34.2	-36.6	0	0	0	110.9	R77 E125 L128 R182	P72-R77 WeakPolarHBondContact O-CA 3.38Å; P72-R77 PolarHBondContact O-N 3.27Å; P72-E125 WeakPolarHBondContact CD-O 3.44Å; P72-E125 VanDerWaalsContact CG-O 3.26Å; P72-E125 WeakPolarHBondContact CG-O 3.5Å; P72-L128 HydrophobicContact CB-CD1 4.3Å; P72-L128 HydrophobicContact CG-CD1 3.96Å; P72-L128 HydrophobicContact CG-CG 4.01Å; P72-R182 HydrophobicContact CG-CG 4.35Å
73	L	96.5	Very high	97.3	Very high	85 Å²	85	33.8 Å²	33.8	45%	0.445	21%	0.214	S	C	.	.			trans	-98.5	152.2	-176.2	-57.3	177.8	0	0	0	111.7	A71 L76 E125	A71-L73 HydrophobicContact CB-CD1 3.96Å; A71-L73 HydrophobicContact CB-CG 3.88Å; A71-L73 PolarHBondContact O-N 3.02Å; L73-L76 WeakPolarHBondContact O-CB 3.31Å; L73-L76 PolarHBondContact O-N 3.34Å; L73-E125 HydrophobicContact CD2-CB 3.53Å
74	G	95	Very high	97.2	Very high	31 Å²	31	34.7 Å²	34.7	32%	0.32	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	53.5	-123.7	176.2	0	0	0	0	0	111.5	L76 R77 L297	G74-L76 PolarHBondContact O-N 3.27Å; G74-R77 VanDerWaalsContact O-CB 3.31Å; G74-R77 WeakPolarHBondContact O-CB 3.31Å; G74-R77 PolarHBondContact O-N 2.96Å; G74-L297 WeakPolarHBondContact O-CD2 3.42Å
75	P	95.9	Very high	97	Very high	107 Å²	107	40.1 Å²	40.1	70%	0.695	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-57.9	-18.8	179	-23.3	33.7	0	0	0	115.2	S79	P75-S79 PolarHBondContact O-OG 3.49Å; P75-S79 VanDerWaalsContact O-OG 3.06Å
76	L	97.6	Very high	97	Very high	47 Å²	47	43.8 Å²	43.8	25%	0.246	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-85.2	-10.6	179.9	-60.5	-178.9	0	0	0	113.7	Q70 L73 G74 F78 S79 L82 R182	Q70-L76 HydrophobicContact CB-CD1 4.43Å; L73-L76 WeakPolarHBondContact O-CB 3.31Å; L73-L76 PolarHBondContact O-N 3.34Å; G74-L76 PolarHBondContact O-N 3.27Å; L76-F78 VanDerWaalsContact C-N 3.34Å; L76-F78 PolarHBondContact O-N 3.28Å; L76-S79 PolarHBondContact O-N 3.13Å; L76-L82 HydrophobicContact CD1-CD1 4.24Å; L76-L82 HydrophobicContact CD2-CD1 3.71Å; L76-L82 HydrophobicContact CD2-CG 4.33Å; L76-R182 PolarHBondContact O-NH1 3.23Å
77	R	96.5	Very high	96.9	Very high	18 Å²	18	46 Å²	46	7%	0.068	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-47.8	-172.8	-175.4	-177.9	-75.2	163.4	-5.6	113.9	P72 G74 E125 R182 F186 L296 L297 K299	P72-R77 WeakPolarHBondContact O-CA 3.38Å; P72-R77 PolarHBondContact O-N 3.27Å; G74-R77 VanDerWaalsContact O-CB 3.31Å; G74-R77 WeakPolarHBondContact O-CB 3.31Å; G74-R77 PolarHBondContact O-N 2.96Å; R77-E125 IonicContact CZ-OE1 2.69Å; R77-E125 IonicContact CZ-OE2 3.77Å; R77-E125 IonicContact NE-OE1 2.68Å; R77-E125 PolarHBondContact NE-OE1 2.99Å; R77-E125 IonicContact NE-OE2 2.84Å; R77-E125 PolarHBondContact NE-OE2 3.48Å; R77-E125 IonicContact NH2-OE1 3.96Å; R77-E125 PolarHBondContact NH2-OE1 3.22Å; R77-E125 IonicContact NH2-OE2 3.5Å; R77-E125 PolarHBondContact NH2-OE2 3.32Å; R77-R182 PolarHBondContact O-NH1 3.49Å; R77-F186 HydrophobicContact CG-CD1 3.82Å; R77-F186 HydrophobicContact CG-CE1 4.2Å; R77-L296 PolarHBondContact NH1-O 2.56Å; R77-L297 HydrophobicContact CB-CD2 3.95Å; R77-L297 PolarHBondContact NH1-O 3.39Å; R77-K299 PolarHBondContact NH1-O 3.46Å; R77-K299 PolarHBondContact NH2-O 2.96Å
78	F	96.1	Very high	96.8	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	15.2	-179.5	-52.3	-56.9	0	0	0	113.3	L76 I185 M196 R200 V293 L296 L297 L304	L76-F78 VanDerWaalsContact C-N 3.34Å; L76-F78 PolarHBondContact O-N 3.28Å; F78-I185 HydrophobicContact CE1-CD1 4.05Å; F78-I185 HydrophobicContact CZ-CD1 4.41Å; F78-M196 HydrophobicContact CB-CG 4.06Å; F78-M196 HydrophobicContact CB-SD 3.93Å; F78-M196 HydrophobicContact CD1-SD 3.93Å; F78-M196 HydrophobicContact CD2-SD 4.18Å; F78-M196 HydrophobicContact CE1-SD 4.48Å; F78-M196 HydrophobicContact CG-SD 3.75Å; F78-R200 PolarHBondContact O-NE 3.22Å; F78-R200 PolarHBondContact O-NH2 2.83Å; F78-R200 VanDerWaalsContact O-NH2 3.1Å; F78-V293 HydrophobicContact CD2-CG1 4.38Å; F78-L296 HydrophobicContact CE2-CB 3.86Å; F78-L296 HydrophobicContact CZ-CB 4.27Å; F78-L297 HydrophobicContact CD2-CD2 3.61Å; F78-L297 HydrophobicContact CD2-CG 4.1Å; F78-L297 HydrophobicContact CE2-CD2 3.9Å; F78-L297 HydrophobicContact CE2-CG 4.26Å; F78-L304 HydrophobicContact CZ-CD1 4.09Å
79	S	96.1	Very high	96.6	Very high	46 Å²	46	56.4 Å²	56.4	32%	0.322	33%	0.334	S	S	.	.	S	Bend	trans	-96	161.2	-179.1	-64.1	0	0	0	0	111.3	P75 L76 R182	P75-S79 PolarHBondContact O-OG 3.49Å; P75-S79 VanDerWaalsContact O-OG 3.06Å; L76-S79 PolarHBondContact O-N 3.13Å; S79-R182 PolarHBondContact O-NH1 3.47Å; S79-R182 PolarHBondContact O-NH2 3.3Å
80	A	96.9	Very high	96.6	Very high	48 Å²	48	58.5 Å²	58.5	40%	0.397	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-59.5	146	169.9	0	0	0	0	0	110.4	L82 L203	A80-L82 PolarHBondContact O-N 2.95Å; A80-L203 HydrophobicContact CB-CD1 4.05Å
81	P	98.2	Very high	96.5	Very high	25 Å²	25	60.2 Å²	60.2	16%	0.162	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-62.2	133.3	178.9	27.6	-35.3	0	0	0	110.6	A69 L128 L203 D204 A207	A69-P81 HydrophobicContact CB-CB 3.91Å; P81-L128 HydrophobicContact CB-CD1 4.19Å; P81-L203 HydrophobicContact CG-CB 4.22Å; P81-L203 WeakPolarHBondContact CG-O 3.35Å; P81-D204 WeakPolarHBondContact CB-OD1 3.44Å; P81-D204 WeakPolarHBondContact CG-OD1 3.38Å; P81-A207 HydrophobicContact CB-CB 4.03Å; P81-A207 HydrophobicContact CG-CB 3.65Å
82	L	98.4	Very high	96.5	Very high	75 Å²	75	62.5 Å²	62.5	39%	0.393	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-91.7	150.3	173.1	-62.9	-180	0	0	0	110.2	A69 Q70 L76 A80	A69-L82 CarbonylContact C-O 3.51Å; A69-L82 VanDerWaalsContact CA-O 3.27Å; A69-L82 WeakPolarHBondContact CA-O 3.46Å; A69-L82 WeakPolarHBondContact CB-O 3.42Å; Q70-L82 HydrophobicContact CB-CB 4.27Å; Q70-L82 HydrophobicContact CG-CB 4.45Å; Q70-L82 PolarHBondContact N-O 3.19Å; L76-L82 HydrophobicContact CD1-CD1 4.24Å; L76-L82 HydrophobicContact CD2-CD1 3.71Å; L76-L82 HydrophobicContact CD2-CG 4.33Å; A80-L82 PolarHBondContact O-N 2.95Å
83	P	97.3	Very high	96.5	Very high	94 Å²	94	62.2 Å²	62.2	61%	0.61	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-51.9	144.6	175.6	-26.5	34.8	0	0	0	112.2	Q70	Q70-P83 WeakPolarHBondContact CG-O 3.5Å; Q70-P83 PolarHBondContact NE2-O 3.02Å
84	P	95.9	Very high	96.5	Very high	21 Å²	21	61.7 Å²	61.7	14%	0.136	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.8	150.1	-179.7	30	-31.5	0	0	0	110	L43 F68	L43-P84 HydrophobicContact CD1-CB 4.18Å; L43-P84 HydrophobicContact CD1-CG 3.55Å; L43-P84 HydrophobicContact CD2-CG 4.18Å; F68-P84 VanDerWaalsContact O-CD 3.26Å; F68-P84 WeakPolarHBondContact O-CD 3.45Å
85	Q	93.9	Very high	96.3	Very high	119 Å²	119	64.8 Å²	64.8	56%	0.556	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-86.3	143	174.7	-64.7	-60.2	-33	0	0	110.2	Q70	Q70-Q85 HydrophobicContact CG-CG 4.1Å
86	P	96	Very high	96.2	Very high	85 Å²	85	63.3 Å²	63.3	55%	0.552	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-64.5	153	171.4	29.3	-33.9	0	0	0	110.5	L43	L43-P86 CarbonylContact O-C 3.56Å; L43-P86 WeakPolarHBondContact O-CA 3.46Å; L43-P86 WeakPolarHBondContact O-CB 3.39Å
87	W	95.9	Very high	96	Very high	46 Å²	46	61.5 Å²	61.5	17%	0.174	34%	0.339	C	S	.	.			trans	-121.8	149.5	175.8	59	84.1	0	0	0	111.1	L43 R45 V46 I66 P67 R91	L43-W87 HydrophobicContact CB-CE3 4.2Å; L43-W87 HydrophobicContact CB-CH2 3.69Å; L43-W87 HydrophobicContact CB-CZ2 4.35Å; L43-W87 HydrophobicContact CB-CZ3 3.61Å; L43-W87 HydrophobicContact CD1-CH2 4.4Å; L43-W87 HydrophobicContact CD1-CZ3 4.2Å; L43-W87 PolarHBondContact O-N 2.83Å; R45-W87 PolarHBondContact O-NE1 3.39Å; V46-W87 HydrophobicContact CG2-CH2 4.45Å; V46-W87 HydrophobicContact CG2-CZ2 3.75Å; I66-W87 HydrophobicContact CG2-CH2 4.47Å; P67-W87 HydrophobicContact CG-CE3 4.33Å; P67-W87 HydrophobicContact CG-CH2 4.42Å; P67-W87 HydrophobicContact CG-CZ3 3.71Å; W87-R91 HydrophobicContact CZ2-CB 4.4Å
88	E	95.5	Very high	95.8	Very high	195 Å²	195	62.4 Å²	62.4	91%	0.911	35%	0.348	S	S	*	.	S	Bend	trans	-85.2	154.5	171.5	-64.8	-171.1	171.5	0	0	111.3
89	G	95.8	Very high	95.8	Very high	42 Å²	42	62.1 Å²	62.1	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	76	-147.3	178.3	0	0	0	0	0	113.5
90	V	97.4	Very high	95.8	Very high	49 Å²	49	60 Å²	60	30%	0.297	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119	-177.4	-176.5	0	0	0	0	108.4	E38 R45 R47	E38-V90 HydrophobicContact CG-CG1 4.49Å; R45-V90 HydrophobicContact CB-CB 4.36Å; R45-V90 HydrophobicContact CB-CG1 4.35Å; R45-V90 HydrophobicContact CB-CG2 3.96Å; R47-V90 HydrophobicContact CB-CG1 3.59Å
91	R	96.9	Very high	95.6	Very high	90 Å²	90	58.7 Å²	58.7	34%	0.34	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.4	174.4	-176.2	177.8	-180	127.3	-5.1	109.7	R45 R47 G65 P67 W87 A93	R45-R91 PolarHBondContact O-N 3.03Å; R47-R91 PolarHBondContact N-O 3.27Å; G65-R91 PolarHBondContact O-NH2 3.41Å; P67-R91 VanDerWaalsContact CG-NH1 3.3Å; W87-R91 HydrophobicContact CZ2-CB 4.4Å; R91-A93 PolarHBondContact O-N 3.33Å
92	D	97.4	Very high	95.3	Very high	76 Å²	76	57.5 Å²	57.5	41%	0.406	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.8	173.7	-165.4	-11.5	0	0	0	110.3	R94	D92-R94 VanDerWaalsContact OD1-CB 3.3Å; D92-R94 WeakPolarHBondContact OD1-CB 3.34Å; D92-R94 VanDerWaalsContact OD1-CG 3.24Å; D92-R94 WeakPolarHBondContact OD1-CG 2.8Å; D92-R94 IonicContact OD1-CZ 3.67Å; D92-R94 PolarHBondContact OD1-N 3.4Å; D92-R94 VanDerWaalsContact OD1-N 3.11Å; D92-R94 IonicContact OD1-NE 3.69Å; D92-R94 PolarHBondContact OD1-NE 3.35Å; D92-R94 IonicContact OD1-NH2 3.72Å; D92-R94 IonicContact OD2-CZ 2.71Å; D92-R94 IonicContact OD2-NE 3.4Å; D92-R94 PolarHBondContact OD2-NE 2.93Å; D92-R94 IonicContact OD2-NH2 2.68Å; D92-R94 PolarHBondContact OD2-NH2 3.29Å
93	A	97.4	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.			trans	-121.7	33.3	-179.3	0	0	0	0	0	111	V46 R47 F63 L64 R91	V46-A93 HydrophobicContact CG1-CB 3.39Å; R47-A93 CarbonylContact O-C 3.45Å; R47-A93 WeakPolarHBondContact O-CA 3.44Å; R47-A93 WeakPolarHBondContact O-CB 3.43Å; R47-A93 PolarHBondContact O-N 3.4Å; F63-A93 HydrophobicContact CB-CB 4.14Å; L64-A93 PolarHBondContact N-O 3.03Å; L64-A93 VanDerWaalsContact O-CA 3.23Å; L64-A93 WeakPolarHBondContact O-CA 3.39Å; L64-A93 VanDerWaalsContact O-CB 3.24Å; L64-A93 WeakPolarHBondContact O-CB 3.48Å; R91-A93 PolarHBondContact O-N 3.33Å
94	R	95.4	Very high	93.9	Very high	74 Å²	74	53.4 Å²	53.4	28%	0.279	29%	0.285	S	S	.	.			trans	-94.5	-18.8	-177.7	-65	176.6	-64.8	167.7	5.6	114	H36 G48 R49 D92	H36-R94 PolarHBondContact CE1-NH1 2.82Å; H36-R94 WeakPolarHBondContact ND1-CD 3.4Å; H36-R94 PolarHBondContact NE2-NH1 3.35Å; G48-R94 VanDerWaalsContact C-CG 3.5Å; G48-R94 WeakPolarHBondContact O-CD 3.38Å; G48-R94 VanDerWaalsContact O-CG 3.28Å; G48-R94 WeakPolarHBondContact O-CG 3.37Å; R49-R94 HydrophobicContact CB-CG 4.2Å; D92-R94 VanDerWaalsContact OD1-CB 3.3Å; D92-R94 WeakPolarHBondContact OD1-CB 3.34Å; D92-R94 VanDerWaalsContact OD1-CG 3.24Å; D92-R94 WeakPolarHBondContact OD1-CG 2.8Å; D92-R94 IonicContact OD1-CZ 3.67Å; D92-R94 PolarHBondContact OD1-N 3.4Å; D92-R94 VanDerWaalsContact OD1-N 3.11Å; D92-R94 IonicContact OD1-NE 3.69Å; D92-R94 PolarHBondContact OD1-NE 3.35Å; D92-R94 IonicContact OD1-NH2 3.72Å; D92-R94 IonicContact OD2-CZ 2.71Å; D92-R94 IonicContact OD2-NE 3.4Å; D92-R94 PolarHBondContact OD2-NE 2.93Å; D92-R94 IonicContact OD2-NH2 2.68Å; D92-R94 PolarHBondContact OD2-NH2 3.29Å
95	T	91.8	Very high	92.9	Very high	97 Å²	97	59.6 Å²	59.6	60%	0.595	31%	0.312	S	S	*	.	S	Bend	trans	-107.5	149.4	-171.5	55.8	0	0	0	0	112	L64 P97	L64-T95 WeakPolarHBondContact CB-O 3.47Å; T95-P97 WeakPolarHBondContact O-CD 3.29Å
96	N	92.9	Very high	91.7	Very high	76 Å²	76	57.1 Å²	57.1	41%	0.406	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-59.3	123.4	178.2	-68.1	-28.8	0	0	0	111.1	L64 Y121 T161	L64-N96 WeakPolarHBondContact CD1-OD1 3.41Å; N96-Y121 HydrophobicContact CB-CD1 3.84Å; N96-Y121 HydrophobicContact CB-CE1 3.92Å; N96-Y121 WeakPolarHBondContact ND2-CE1 3.39Å; N96-T161 HydrophobicContact CB-CG2 3.97Å; N96-T161 WeakPolarHBondContact OD1-CG2 3.46Å
97	P	94.1	Very high	90.3	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.058	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-77	162.8	177.9	32.2	-36.4	0	0	0	111.5	T95 I129	T95-P97 WeakPolarHBondContact O-CD 3.29Å; P97-I129 HydrophobicContact CB-CD1 3.93Å; P97-I129 HydrophobicContact CB-CG1 3.94Å; P97-I129 HydrophobicContact CG-CD1 3.44Å; P97-I129 VanDerWaalsContact CG-CD1 3.44Å; P97-I129 HydrophobicContact CG-CG1 4.04Å
98	P	93.6	Very high	88.6	Confident	37 Å²	37	54.6 Å²	54.6	24%	0.24	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.7	146.8	173.3	28.5	-34.9	0	0	0	111.7	S122	P98-S122 CarbonylContact C-O 3.57Å; P98-S122 WeakPolarHBondContact CA-O 3.36Å
99	M	94.9	Very high	86.8	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	162.4	165.1	-52.3	179	-61	0	0	109.9	I120 Y121 S122 I123 S124 S159	M99-I120 HydrophobicContact CE-CG2 4.37Å; M99-Y121 WeakPolarHBondContact CE-O 3.34Å; M99-Y121 HydrophobicContact CG-CD2 4.14Å; M99-Y121 HydrophobicContact SD-CD2 3.87Å; M99-S122 PolarHBondContact N-O 2.69Å; M99-I123 HydrophobicContact CB-CG2 4.36Å; M99-I123 HydrophobicContact CE-CG2 3.81Å; M99-I123 CarbonylContact O-C 3.54Å; M99-I123 WeakPolarHBondContact O-CA 3.49Å; M99-S124 PolarHBondContact O-N 3.42Å; M99-S159 VanDerWaalsContact SD-CB 3.57Å
100	C	96.2	Very high	85.2	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	150.1	168.7	-65.2	0	0	0	0	111	Q102 S124 C127 Y181 L183	C100-Q102 WeakPolarHBondContact O-CG 3.44Å; C100-Q102 PolarHBondContact O-N 2.85Å; C100-Q102 VanDerWaalsContact O-N 3.14Å; C100-Q102 PolarHBondContact O-NE2 2.95Å; C100-S124 CarbonylContact C-O 3.57Å; C100-S124 WeakPolarHBondContact CA-O 3.44Å; C100-C127 VanDerWaalsContact CA-CB 3.41Å; C100-C127 WeakPolarHBondContact CA-SG 3.48Å; C100-C127 HydrophobicContact CB-CB 3.78Å; C100-C127 WeakPolarHBondContact CB-SG 3.49Å; C100-C127 WeakPolarHBondContact SG-CB 3.37Å; C100-C127 CovalentContact SG-SG 2.04Å; C100-C127 PolarHBondContact SG-SG 2.99Å; C100-Y181 PolarHBondContact SG-O 3.16Å; C100-L183 HydrophobicContact CB-CD1 4.33Å; C100-L183 HydrophobicContact CB-CG 4.37Å
101	L	93.6	Very high	83.6	Confident	20 Å²	20	49.8 Å²	49.8	11%	0.105	26%	0.255	C	S	.	.	S	Bend	trans	-49.8	122	172.5	-78.1	-168.4	0	0	0	110.5	I123 S124 E125 F186	L101-I123 HydrophobicContact CD2-CB 4.1Å; L101-I123 HydrophobicContact CD2-CD1 3.79Å; L101-I123 HydrophobicContact CD2-CG1 3.88Å; L101-S124 PolarHBondContact N-O 2.88Å; L101-E125 HydrophobicContact CD1-CG 3.34Å; L101-E125 HydrophobicContact CG-CG 3.86Å; L101-F186 HydrophobicContact CB-CD2 4.18Å; L101-F186 HydrophobicContact CB-CE2 3.72Å; L101-F186 HydrophobicContact CB-CZ 4.22Å; L101-F186 HydrophobicContact CD1-CE1 4.17Å; L101-F186 HydrophobicContact CD1-CE2 3.89Å; L101-F186 HydrophobicContact CD1-CZ 3.5Å; L101-F186 HydrophobicContact CG-CE2 4.48Å
102	Q	90.8	Very high	81.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.			trans	-158.2	163.3	-177.7	64.3	-166	-87.4	0	0	109.4	C100 V104 M107 I123 V156 V157 G158 L183 N305	C100-Q102 WeakPolarHBondContact O-CG 3.44Å; C100-Q102 PolarHBondContact O-N 2.85Å; C100-Q102 VanDerWaalsContact O-N 3.14Å; C100-Q102 PolarHBondContact O-NE2 2.95Å; Q102-V104 PolarHBondContact O-N 2.8Å; Q102-M107 HydrophobicContact CG-SD 4.17Å; Q102-M107 PolarHBondContact OE1-SD 3.23Å; Q102-I123 HydrophobicContact CG-CG2 4.39Å; Q102-V156 WeakPolarHBondContact CB-O 3.24Å; Q102-V157 HydrophobicContact CB-CG1 4.39Å; Q102-G158 PolarHBondContact NE2-O 3.39Å; Q102-G158 PolarHBondContact OE1-O 2.93Å; Q102-L183 HydrophobicContact CB-CD1 4.37Å; Q102-N305 VanDerWaalsContact CA-OD1 3.25Å; Q102-N305 WeakPolarHBondContact CA-OD1 3.38Å; Q102-N305 PolarHBondContact N-OD1 3.44Å; Q102-N305 PolarHBondContact O-ND2 3.26Å
103	D	85.2	Confident	80.1	Confident	43 Å²	43	44.6 Å²	44.6	23%	0.23	23%	0.233	C	C	.	.			trans	-76.1	94.6	-178	-174.1	-11.5	0	0	0	111	E105 R106 M107	D103-E105 VanDerWaalsContact C-N 3.26Å; D103-E105 PolarHBondContact O-N 2.89Å; D103-E105 WeakPolarHBondContact OD1-CB 3.46Å; D103-E105 PolarHBondContact OD1-N 2.98Å; D103-R106 HydrophobicContact CB-CB 3.85Å; D103-R106 PolarHBondContact O-N 2.84Å; D103-R106 PolarHBondContact OD1-N 3.5Å; D103-R106 WeakPolarHBondContact OD2-CB 3.28Å; D103-M107 PolarHBondContact O-N 3.19Å
104	V	80.3	Confident	78.3	Confident	40 Å²	40	47 Å²	47	24%	0.242	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-30.8	178.4	176.2	0	0	0	0	111.6	Q102 M107 S108 I120 I123	Q102-V104 PolarHBondContact O-N 2.8Å; V104-M107 WeakPolarHBondContact O-CB 3.25Å; V104-M107 PolarHBondContact O-N 2.91Å; V104-S108 WeakPolarHBondContact O-CB 3.38Å; V104-S108 PolarHBondContact O-N 2.78Å; V104-S108 PolarHBondContact O-OG 3.06Å; V104-I120 HydrophobicContact CG1-CD1 3.94Å; V104-I120 HydrophobicContact CG1-CG2 3.46Å; V104-I120 VanDerWaalsContact CG1-CG2 3.46Å; V104-I120 HydrophobicContact CG2-CG2 4.4Å; V104-I123 HydrophobicContact CG2-CD1 3.97Å; V104-I123 HydrophobicContact CG2-CG2 3.61Å
105	E	74.9	Confident	76.6	Confident	151 Å²	151	44.9 Å²	44.9	71%	0.706	24%	0.24	S	C	*	.	H	α-helix	trans	-68.1	-41.4	177.9	-170.4	179.5	173.9	0	0	110.5	D103 M107 S108 N109	D103-E105 VanDerWaalsContact C-N 3.26Å; D103-E105 PolarHBondContact O-N 2.89Å; D103-E105 WeakPolarHBondContact OD1-CB 3.46Å; D103-E105 PolarHBondContact OD1-N 2.98Å; E105-M107 PolarHBondContact O-N 3.04Å; E105-S108 VanDerWaalsContact CA-OG 3.31Å; E105-S108 WeakPolarHBondContact CA-OG 3.23Å; E105-S108 PolarHBondContact O-N 3.15Å; E105-S108 VanDerWaalsContact O-N 3.16Å; E105-S108 PolarHBondContact O-OG 3.16Å; E105-S108 VanDerWaalsContact O-OG 3.06Å; E105-N109 WeakPolarHBondContact O-CB 3.33Å; E105-N109 PolarHBondContact O-N 3.37Å
106	R	69.8	Low	75.1	Confident	66 Å²	66	49.3 Å²	49.3	25%	0.249	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-28.6	171.6	-175.9	180	177.3	175.9	-1.3	113	D103 N109 F112	D103-R106 HydrophobicContact CB-CB 3.85Å; D103-R106 PolarHBondContact O-N 2.84Å; D103-R106 PolarHBondContact OD1-N 3.5Å; D103-R106 WeakPolarHBondContact OD2-CB 3.28Å; R106-N109 PolarHBondContact O-OD1 2.95Å; R106-F112 HydrophobicContact CG-CD2 4.49Å; R106-F112 HydrophobicContact CG-CE2 4.01Å
107	M	66.5	Low	73.7	Confident	12 Å²	12	48 Å²	48	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-75.2	-43.1	170.5	-66.2	178.8	58.1	0	0	111.5	Q102 D103 V104 E105 T113 L118 V157	Q102-M107 HydrophobicContact CG-SD 4.17Å; Q102-M107 PolarHBondContact OE1-SD 3.23Å; D103-M107 PolarHBondContact O-N 3.19Å; V104-M107 WeakPolarHBondContact O-CB 3.25Å; V104-M107 PolarHBondContact O-N 2.91Å; E105-M107 PolarHBondContact O-N 3.04Å; M107-T113 PolarHBondContact O-OG1 3.11Å; M107-L118 HydrophobicContact CB-CD2 4.07Å; M107-L118 HydrophobicContact CE-CD1 4.04Å; M107-L118 VanDerWaalsContact O-CD2 3.28Å; M107-L118 WeakPolarHBondContact O-CD2 3.28Å; M107-V157 HydrophobicContact CG-CB 4.23Å; M107-V157 HydrophobicContact CG-CG1 3.9Å; M107-V157 HydrophobicContact SD-CB 4.31Å; M107-V157 HydrophobicContact SD-CG1 4.35Å
108	S	60	Low	72.4	Confident	67 Å²	67	49.5 Å²	49.5	47%	0.469	25%	0.252	S	S	.	.	H	α-helix	trans	-75.8	-21.8	-175.6	64.7	0	0	0	0	114.4	V104 E105 G110	V104-S108 WeakPolarHBondContact O-CB 3.38Å; V104-S108 PolarHBondContact O-N 2.78Å; V104-S108 PolarHBondContact O-OG 3.06Å; E105-S108 VanDerWaalsContact CA-OG 3.31Å; E105-S108 WeakPolarHBondContact CA-OG 3.23Å; E105-S108 PolarHBondContact O-N 3.15Å; E105-S108 VanDerWaalsContact O-N 3.16Å; E105-S108 PolarHBondContact O-OG 3.16Å; E105-S108 VanDerWaalsContact O-OG 3.06Å; S108-G110 PolarHBondContact O-N 3.44Å
109	N	58.4	Low	71.5	Confident	86 Å²	86	50.4 Å²	50.4	46%	0.46	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	9.4	177.9	74.3	12.5	0	0	0	114.3	E105 R106 R111	E105-N109 WeakPolarHBondContact O-CB 3.33Å; E105-N109 PolarHBondContact O-N 3.37Å; R106-N109 PolarHBondContact O-OD1 2.95Å; N109-R111 PolarHBondContact O-N 2.98Å; N109-R111 WeakPolarHBondContact OD1-CB 3.45Å; N109-R111 VanDerWaalsContact OD1-CG 3.29Å; N109-R111 WeakPolarHBondContact OD1-CG 3.38Å; N109-R111 PolarHBondContact OD1-N 3.26Å; N109-R111 VanDerWaalsContact OD1-N 3.15Å
110	G	60.9	Low	70.7	Confident	18 Å²	18	53.9 Å²	53.9	19%	0.186	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-14.3	173.9	0	0	0	0	0	114.7	S108 F112 T113 K354	S108-G110 PolarHBondContact O-N 3.44Å; G110-F112 PolarHBondContact O-N 3.34Å; G110-T113 PolarHBondContact O-N 3.46Å; G110-T113 VanDerWaalsContact O-N 3.09Å; G110-K354 WeakPolarHBondContact O-CE 3.46Å; G110-K354 PolarHBondContact O-NZ 3.18Å
111	R	63.5	Low	70.2	Confident	81 Å²	81	55.1 Å²	55.1	31%	0.306	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.2	-176.6	-76.2	-177.2	-177.8	179	1.2	113.4	N109 V355 N357	N109-R111 PolarHBondContact O-N 2.98Å; N109-R111 WeakPolarHBondContact OD1-CB 3.45Å; N109-R111 VanDerWaalsContact OD1-CG 3.29Å; N109-R111 WeakPolarHBondContact OD1-CG 3.38Å; N109-R111 PolarHBondContact OD1-N 3.26Å; N109-R111 VanDerWaalsContact OD1-N 3.15Å; R111-V355 VanDerWaalsContact O-CG2 3.24Å; R111-V355 WeakPolarHBondContact O-CG2 3.49Å; R111-N357 PolarHBondContact NH2-OD1 3.04Å
112	F	60.3	Low	70.1	Confident	35 Å²	35	58 Å²	58	15%	0.154	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	5.3	177.8	-64.5	-82.7	0	0	0	113.2	R106 G110 L114 V157 V355	R106-F112 HydrophobicContact CG-CD2 4.49Å; R106-F112 HydrophobicContact CG-CE2 4.01Å; G110-F112 PolarHBondContact O-N 3.34Å; F112-L114 PolarHBondContact O-N 3.18Å; F112-V157 HydrophobicContact CD1-CG2 4.08Å; F112-V157 HydrophobicContact CD2-CG2 4.31Å; F112-V157 HydrophobicContact CE1-CG2 3.79Å; F112-V157 HydrophobicContact CE2-CG2 4.03Å; F112-V157 HydrophobicContact CG-CG2 4.33Å; F112-V157 HydrophobicContact CZ-CG2 3.75Å; F112-V355 HydrophobicContact CD1-CG1 4.4Å; F112-V355 HydrophobicContact CD1-CG2 3.83Å; F112-V355 HydrophobicContact CE1-CB 4.35Å; F112-V355 HydrophobicContact CE1-CG1 3.54Å; F112-V355 HydrophobicContact CE1-CG2 3.76Å; F112-V355 HydrophobicContact CE2-CG1 4.41Å; F112-V355 HydrophobicContact CZ-CG1 3.55Å; F112-V355 HydrophobicContact CZ-CG2 4.39Å
113	T	60.9	Low	70.2	Confident	22 Å²	22	61 Å²	61	14%	0.135	31%	0.313	C	S	.	.			trans	-84.8	116.4	178.5	-52.7	0	0	0	0	109.7	M107 G110 L118 K354	M107-T113 PolarHBondContact O-OG1 3.11Å; G110-T113 PolarHBondContact O-N 3.46Å; G110-T113 VanDerWaalsContact O-N 3.09Å; T113-L118 HydrophobicContact CG2-CB 4.21Å; T113-K354 PolarHBondContact O-NZ 3.28Å
114	L	59.8	Low	70.7	Confident	49 Å²	49	60.8 Å²	60.8	26%	0.257	31%	0.314	S	S	.	.	S	Bend	trans	-85.6	-48.3	178	-79.1	161.5	0	0	0	111.9	F112 L351 F451	F112-L114 PolarHBondContact O-N 3.18Å; L114-L351 HydrophobicContact CD2-CD1 3.83Å; L114-L351 HydrophobicContact CD2-CD2 4.14Å; L114-L351 HydrophobicContact CD2-CG 4.37Å; L114-L351 HydrophobicContact CG-CD1 4.23Å; L114-F451 HydrophobicContact CB-CE2 4.44Å; L114-F451 HydrophobicContact CD2-CE2 4.31Å; L114-F451 WeakPolarHBondContact O-CD2 3.37Å; L114-F451 WeakPolarHBondContact O-CE2 3.22Å; L114-F451 WeakPolarHBondContact O-CG 3.35Å; L114-F451 WeakPolarHBondContact O-CZ 3.42Å
115	N	60.3	Low	71.5	Confident	31 Å²	31	60.2 Å²	60.2	17%	0.166	31%	0.309	C	S	.	.	S	Bend	trans	-140.8	34.9	-168.3	-169.3	15.8	0	0	0	113.5	K117 F451	N115-K117 WeakPolarHBondContact O-CG 3.32Å; N115-K117 PolarHBondContact O-N 2.67Å; N115-F451 HydrophobicContact CB-CD1 3.93Å; N115-F451 HydrophobicContact CB-CE1 3.67Å; N115-F451 HydrophobicContact CB-CZ 4.2Å; N115-F451 WeakPolarHBondContact OD1-CD1 3.4Å
116	E	61	Low	72.6	Confident	190 Å²	190	56.5 Å²	56.5	89%	0.888	29%	0.294	S	S	*	.	S	Bend	trans	58.6	-9.6	-168.8	-57.3	-177.6	164.5	0	0	115.4	L118	E116-L118 PolarHBondContact O-N 3.45Å
117	K	63.5	Low	73.9	Confident	47 Å²	47	53.4 Å²	53.4	20%	0.204	28%	0.282	C	S	.	.			trans	-78.5	32.4	177.7	-62.9	-174.7	-178	-165.1	0	114.4	N115 Q119 E476 A481	N115-K117 WeakPolarHBondContact O-CG 3.32Å; N115-K117 PolarHBondContact O-N 2.67Å; K117-Q119 PolarHBondContact O-N 3.21Å; K117-E476 PolarHBondContact NZ-O 3.21Å; K117-A481 PolarHBondContact NZ-O 3.08Å
118	L	65.7	Low	75.4	Confident	41 Å²	41	53 Å²	53	22%	0.215	28%	0.28	C	S	.	.			trans	-76	97.4	179.6	-173.8	70.6	0	0	0	110	M107 T113 E116 I120	M107-L118 HydrophobicContact CB-CD2 4.07Å; M107-L118 HydrophobicContact CE-CD1 4.04Å; M107-L118 VanDerWaalsContact O-CD2 3.28Å; M107-L118 WeakPolarHBondContact O-CD2 3.28Å; T113-L118 HydrophobicContact CG2-CB 4.21Å; E116-L118 PolarHBondContact O-N 3.45Å; L118-I120 HydrophobicContact CD2-CD1 3.9Å; L118-I120 HydrophobicContact CD2-CG1 3.8Å; L118-I120 HydrophobicContact CG-CD1 4.46Å; L118-I120 HydrophobicContact CG-CG1 3.88Å; L118-I120 PolarHBondContact O-N 3.13Å
119	Q	74	Confident	77.2	Confident	57 Å²	57	50 Å²	50	27%	0.266	26%	0.259	S	S	.	.			trans	-75.7	108	166.2	-72.2	-166.3	-33.1	0	0	109.8	K117 Y121 S477	K117-Q119 PolarHBondContact O-N 3.21Å; Q119-Y121 HydrophobicContact CB-CE1 4.41Å; Q119-Y121 HydrophobicContact CB-CE2 4.24Å; Q119-Y121 PolarHBondContact OE1-OH 3.04Å; Q119-S477 PolarHBondContact NE2-OG 3.3Å
120	I	79.2	Confident	79.1	Confident	73 Å²	73	46 Å²	46	37%	0.374	24%	0.237	S	C	.	.			trans	-91.4	114.4	172	-62.1	172.7	0	0	0	107.3	M99 V104 L118	M99-I120 HydrophobicContact CE-CG2 4.37Å; V104-I120 HydrophobicContact CG1-CD1 3.94Å; V104-I120 HydrophobicContact CG1-CG2 3.46Å; V104-I120 VanDerWaalsContact CG1-CG2 3.46Å; V104-I120 HydrophobicContact CG2-CG2 4.4Å; L118-I120 HydrophobicContact CD2-CD1 3.9Å; L118-I120 HydrophobicContact CD2-CG1 3.8Å; L118-I120 HydrophobicContact CG-CD1 4.46Å; L118-I120 HydrophobicContact CG-CG1 3.88Å; L118-I120 PolarHBondContact O-N 3.13Å
121	Y	86.1	Confident	80.9	Confident	29 Å²	29	45.1 Å²	45.1	11%	0.114	23%	0.228	C	C	.	.			trans	-86.3	170.4	172.8	-51.8	-80	0	0	0	110.5	N96 M99 Q119 T161	N96-Y121 HydrophobicContact CB-CD1 3.84Å; N96-Y121 HydrophobicContact CB-CE1 3.92Å; N96-Y121 WeakPolarHBondContact ND2-CE1 3.39Å; M99-Y121 WeakPolarHBondContact CE-O 3.34Å; M99-Y121 HydrophobicContact CG-CD2 4.14Å; M99-Y121 HydrophobicContact SD-CD2 3.87Å; Q119-Y121 HydrophobicContact CB-CE1 4.41Å; Q119-Y121 HydrophobicContact CB-CE2 4.24Å; Q119-Y121 PolarHBondContact OE1-OH 3.04Å; Y121-T161 HydrophobicContact CD1-CG2 4.39Å; Y121-T161 HydrophobicContact CD2-CG2 4.49Å; Y121-T161 HydrophobicContact CE1-CG2 3.9Å; Y121-T161 HydrophobicContact CE2-CG2 4Å
122	S	91.4	Very high	82.6	Confident	79 Å²	79	41.2 Å²	41.2	55%	0.552	21%	0.214	S	C	*	.			trans	-59.2	154.3	170.1	52.4	0	0	0	0	110.8	P98 M99	P98-S122 CarbonylContact C-O 3.57Å; P98-S122 WeakPolarHBondContact CA-O 3.36Å; M99-S122 PolarHBondContact N-O 2.69Å
123	I	93.3	Very high	84.4	Confident	65 Å²	65	39.9 Å²	39.9	33%	0.333	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.1	177.1	60.1	173	0	0	0	110.4	M99 L101 Q102 V104	M99-I123 HydrophobicContact CB-CG2 4.36Å; M99-I123 HydrophobicContact CE-CG2 3.81Å; M99-I123 CarbonylContact O-C 3.54Å; M99-I123 WeakPolarHBondContact O-CA 3.49Å; L101-I123 HydrophobicContact CD2-CB 4.1Å; L101-I123 HydrophobicContact CD2-CD1 3.79Å; L101-I123 HydrophobicContact CD2-CG1 3.88Å; Q102-I123 HydrophobicContact CG-CG2 4.39Å; V104-I123 HydrophobicContact CG2-CD1 3.97Å; V104-I123 HydrophobicContact CG2-CG2 3.61Å
124	S	95.3	Very high	86.1	Confident	37 Å²	37	39 Å²	39	26%	0.259	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.9	179.7	-173.5	0	0	0	0	111.5	M99 C100 L101 D126	M99-S124 PolarHBondContact O-N 3.42Å; C100-S124 CarbonylContact C-O 3.57Å; C100-S124 WeakPolarHBondContact CA-O 3.44Å; L101-S124 PolarHBondContact N-O 2.88Å; S124-D126 VanDerWaalsContact C-N 3.31Å; S124-D126 PolarHBondContact OG-N 3.27Å; S124-D126 PolarHBondContact OG-O 3.33Å
125	E	96.7	Very high	87.7	Confident	28 Å²	28	37 Å²	37	13%	0.131	19%	0.192	C	C	.	.	S	Bend	trans	-72.5	-30.5	163.5	-70.8	-173.5	-135.1	0	0	110.8	P72 L73 R77 L101 C127 F186 G301	P72-E125 WeakPolarHBondContact CD-O 3.44Å; P72-E125 VanDerWaalsContact CG-O 3.26Å; P72-E125 WeakPolarHBondContact CG-O 3.5Å; L73-E125 HydrophobicContact CD2-CB 3.53Å; R77-E125 IonicContact CZ-OE1 2.69Å; R77-E125 IonicContact CZ-OE2 3.77Å; R77-E125 IonicContact NE-OE1 2.68Å; R77-E125 PolarHBondContact NE-OE1 2.99Å; R77-E125 IonicContact NE-OE2 2.84Å; R77-E125 PolarHBondContact NE-OE2 3.48Å; R77-E125 IonicContact NH2-OE1 3.96Å; R77-E125 PolarHBondContact NH2-OE1 3.22Å; R77-E125 IonicContact NH2-OE2 3.5Å; R77-E125 PolarHBondContact NH2-OE2 3.32Å; L101-E125 HydrophobicContact CD1-CG 3.34Å; L101-E125 HydrophobicContact CG-CG 3.86Å; E125-C127 VanDerWaalsContact C-N 3.25Å; E125-C127 PolarHBondContact O-N 2.79Å; E125-F186 HydrophobicContact CG-CE1 4.2Å; E125-G301 VanDerWaalsContact OE1-CA 3.27Å; E125-G301 WeakPolarHBondContact OE1-CA 3.39Å
126	D	96.9	Very high	88.7	Confident	73 Å²	73	37.3 Å²	37.3	39%	0.39	20%	0.196	S	C	.	.			trans	-76.4	80.8	169.4	-174.6	13.3	0	0	0	109.5	A71 S124	A71-D126 HydrophobicContact CB-CB 3.95Å; A71-D126 VanDerWaalsContact CB-OD1 3.27Å; A71-D126 WeakPolarHBondContact CB-OD1 3.44Å; S124-D126 VanDerWaalsContact C-N 3.31Å; S124-D126 PolarHBondContact OG-N 3.27Å; S124-D126 PolarHBondContact OG-O 3.33Å
127	C	97.5	Very high	89.3	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.014	19%	0.187	C	C	.	.			trans	-133	5.8	-173.7	73.1	0	0	0	0	114.1	C100 E125 I129 Q180	C100-C127 VanDerWaalsContact CA-CB 3.41Å; C100-C127 WeakPolarHBondContact CA-SG 3.48Å; C100-C127 HydrophobicContact CB-CB 3.78Å; C100-C127 WeakPolarHBondContact CB-SG 3.49Å; C100-C127 WeakPolarHBondContact SG-CB 3.37Å; C100-C127 CovalentContact SG-SG 2.04Å; C100-C127 PolarHBondContact SG-SG 2.99Å; E125-C127 VanDerWaalsContact C-N 3.25Å; E125-C127 PolarHBondContact O-N 2.79Å; C127-I129 PolarHBondContact O-N 2.92Å; C127-Q180 WeakPolarHBondContact O-CB 3.33Å
128	L	98.5	Very high	89.4	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.184	C	C	.	.			trans	-78.6	68.1	-178.9	-61.9	-171.9	0	0	0	111.2	F68 A69 P72 P81 R182 D204	F68-L128 WeakPolarHBondContact CD1-O 3.46Å; F68-L128 HydrophobicContact CE1-CB 4.19Å; F68-L128 HydrophobicContact CE2-CB 4.06Å; F68-L128 HydrophobicContact CE2-CD2 4.43Å; F68-L128 HydrophobicContact CZ-CB 3.8Å; F68-L128 HydrophobicContact CZ-CD2 3.93Å; F68-L128 HydrophobicContact CZ-CG 4.39Å; F68-L128 PolarHBondContact N-O 3Å; F68-L128 VanDerWaalsContact N-O 3.12Å; A69-L128 HydrophobicContact CB-CB 4.06Å; A69-L128 HydrophobicContact CB-CD1 3.74Å; P72-L128 HydrophobicContact CB-CD1 4.3Å; P72-L128 HydrophobicContact CG-CD1 3.96Å; P72-L128 HydrophobicContact CG-CG 4.01Å; P81-L128 HydrophobicContact CB-CD1 4.19Å; L128-R182 HydrophobicContact CD2-CG 4.12Å; L128-D204 HydrophobicContact CD2-CB 3.98Å; L128-D204 WeakPolarHBondContact CD2-OD2 3.34Å
129	I	98.1	Very high	89.4	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	160.7	-176	63.4	79.7	0	0	0	112	I66 F68 P97 C127 Q180	I66-I129 CarbonylContact O-C 3.54Å; I66-I129 WeakPolarHBondContact O-CA 3.16Å; F68-I129 VanDerWaalsContact CD1-C 3.46Å; F68-I129 VanDerWaalsContact CE1-O 3.26Å; F68-I129 WeakPolarHBondContact CE1-O 3.49Å; P97-I129 HydrophobicContact CB-CD1 3.93Å; P97-I129 HydrophobicContact CB-CG1 3.94Å; P97-I129 HydrophobicContact CG-CD1 3.44Å; P97-I129 VanDerWaalsContact CG-CD1 3.44Å; P97-I129 HydrophobicContact CG-CG1 4.04Å; C127-I129 PolarHBondContact O-N 2.92Å; I129-Q180 HydrophobicContact CD1-CB 4.25Å; I129-Q180 HydrophobicContact CD1-CG 3.53Å; I129-Q180 HydrophobicContact CG1-CB 4.37Å; I129-Q180 HydrophobicContact CG1-CG 3.98Å; I129-Q180 WeakPolarHBondContact O-CB 3.38Å; I129-Q180 PolarHBondContact O-N 3.25Å
130	L	98.8	Very high	88.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158	168	55.6	79.8	0	0	0	110.6	G65 I66 F68 I132 V177 T178 V179 W211	G65-L130 PolarHBondContact N-O 3.49Å; I66-L130 HydrophobicContact CB-CD1 4.02Å; I66-L130 HydrophobicContact CD1-CD1 4.48Å; I66-L130 HydrophobicContact CG2-CD1 4.45Å; I66-L130 PolarHBondContact N-O 2.96Å; I66-L130 PolarHBondContact O-N 3.15Å; F68-L130 HydrophobicContact CB-CD2 3.77Å; F68-L130 HydrophobicContact CB-CG 4.34Å; F68-L130 HydrophobicContact CD1-CB 4.22Å; F68-L130 HydrophobicContact CD1-CD2 4.09Å; F68-L130 HydrophobicContact CD1-CG 4.22Å; F68-L130 HydrophobicContact CG-CD2 4.29Å; L130-I132 HydrophobicContact CD1-CD1 3.86Å; L130-I132 HydrophobicContact CD1-CG1 3.68Å; L130-V177 HydrophobicContact CB-CG1 4.08Å; L130-V177 HydrophobicContact CD1-CG1 4.19Å; L130-V177 HydrophobicContact CD2-CG1 4.19Å; L130-V177 HydrophobicContact CG-CG1 4.39Å; L130-T178 CarbonylContact C-O 3.59Å; L130-T178 VanDerWaalsContact CA-O 3.22Å; L130-T178 WeakPolarHBondContact CA-O 3.46Å; L130-T178 WeakPolarHBondContact CB-O 3.44Å; L130-V179 HydrophobicContact CB-CG2 4.27Å; L130-W211 HydrophobicContact CD1-CE3 4.13Å; L130-W211 HydrophobicContact CD1-CH2 4.08Å; L130-W211 HydrophobicContact CD1-CZ3 3.78Å; L130-W211 HydrophobicContact CD2-CD2 3.94Å; L130-W211 HydrophobicContact CD2-CE3 3.52Å; L130-W211 HydrophobicContact CD2-CG 4.43Å; L130-W211 HydrophobicContact CD2-CZ3 4.04Å; L130-W211 HydrophobicContact CG-CE3 4.4Å
131	N	98.8	Very high	88.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.9	173.4	-53.4	-41.3	0	0	0	109.1	F63 L64 G65 Y133 V177 T178	F63-N131 CarbonylContact O-C 3.45Å; F63-N131 VanDerWaalsContact O-CA 3.24Å; F63-N131 WeakPolarHBondContact O-CA 3.08Å; L64-N131 VanDerWaalsContact CA-OD1 3.24Å; L64-N131 WeakPolarHBondContact CA-OD1 3.45Å; L64-N131 HydrophobicContact CD2-CB 3.78Å; G65-N131 PolarHBondContact N-OD1 3.43Å; N131-Y133 HydrophobicContact CB-CE2 3.88Å; N131-V177 CarbonylContact O-C 3.58Å; N131-V177 VanDerWaalsContact O-CA 3.24Å; N131-V177 WeakPolarHBondContact O-CA 3.34Å; N131-T178 WeakPolarHBondContact CB-OG1 3.25Å; N131-T178 PolarHBondContact N-O 2.66Å; N131-T178 PolarHBondContact ND2-OG1 2.84Å; N131-T178 PolarHBondContact O-N 2.96Å
132	I	98.6	Very high	88.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.3	-179.1	-56.2	178.7	0	0	0	109.3	V62 F63 I66 L130 V175 V176 V177 W211 I216 F219	V62-I132 WeakPolarHBondContact CA-O 3.47Å; F63-I132 HydrophobicContact CB-CB 4.45Å; F63-I132 HydrophobicContact CD2-CB 4.4Å; F63-I132 PolarHBondContact N-O 3.31Å; F63-I132 PolarHBondContact O-N 2.93Å; I66-I132 HydrophobicContact CD1-CD1 3.72Å; I66-I132 HydrophobicContact CD1-CG1 4.17Å; L130-I132 HydrophobicContact CD1-CD1 3.86Å; L130-I132 HydrophobicContact CD1-CG1 3.68Å; I132-V175 HydrophobicContact CG2-CG1 3.87Å; I132-V176 WeakPolarHBondContact CA-O 3.35Å; I132-V177 HydrophobicContact CG1-CG2 4.38Å; I132-W211 HydrophobicContact CD1-CH2 3.67Å; I132-W211 HydrophobicContact CD1-CZ3 3.78Å; I132-I216 HydrophobicContact CD1-CD1 4.12Å; I132-I216 HydrophobicContact CG2-CD1 4.49Å; I132-F219 HydrophobicContact CB-CD1 4.49Å; I132-F219 HydrophobicContact CD1-CD1 3.92Å; I132-F219 HydrophobicContact CD1-CD2 3.78Å; I132-F219 HydrophobicContact CD1-CE1 3.88Å; I132-F219 HydrophobicContact CD1-CE2 3.74Å; I132-F219 HydrophobicContact CD1-CG 3.88Å; I132-F219 HydrophobicContact CD1-CZ 3.79Å; I132-F219 HydrophobicContact CG2-CB 4.1Å; I132-F219 HydrophobicContact CG2-CD1 4Å; I132-F219 HydrophobicContact CG2-CG 4.11Å
133	Y	98.3	Very high	88.2	Confident	7 Å²	7	43 Å²	43	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.5	175.7	-53.6	-100.9	0	0	0	107.4	V62 N131 D164 S166 V175 V176 T178	V62-Y133 HydrophobicContact CB-CD1 4.47Å; V62-Y133 HydrophobicContact CG1-CD1 3.99Å; V62-Y133 HydrophobicContact CG1-CE1 3.78Å; V62-Y133 HydrophobicContact CG2-CD1 3.81Å; V62-Y133 HydrophobicContact CG2-CE1 4.25Å; N131-Y133 HydrophobicContact CB-CE2 3.88Å; Y133-D164 WeakPolarHBondContact CE1-OD1 3.26Å; Y133-S166 WeakPolarHBondContact CD1-OG 3.38Å; Y133-V175 WeakPolarHBondContact O-CA 3.17Å; Y133-V176 HydrophobicContact CD2-CB 4.42Å; Y133-V176 PolarHBondContact N-O 2.95Å; Y133-V176 PolarHBondContact O-N 2.97Å; Y133-T178 HydrophobicContact CE2-CG2 4.09Å
134	S	96.2	Very high	88.4	Confident	4 Å²	4	40.6 Å²	40.6	3%	0.028	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	-177.7	178.9	0	0	0	0	110.7	V60 N61 F219	V60-S134 CarbonylContact C-O 3.49Å; V60-S134 WeakPolarHBondContact CA-O 3.21Å; V60-S134 WeakPolarHBondContact CG1-O 3.35Å; N61-S134 PolarHBondContact N-O 2.9Å; N61-S134 PolarHBondContact O-N 3.05Å; S134-F219 PolarHBondContact OG-O 3.48Å
135	P	92.7	Very high	88.5	Confident	5 Å²	5	39 Å²	39	3%	0.032	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	142.6	174	-20.2	31.8	0	0	0	111.7	E137 T138 L144 A169 V174	P135-E137 VanDerWaalsContact C-N 3.33Å; P135-E137 PolarHBondContact O-N 2.76Å; P135-T138 WeakPolarHBondContact O-CB 3.22Å; P135-T138 PolarHBondContact O-N 2.72Å; P135-T138 PolarHBondContact O-OG1 3.38Å; P135-L144 HydrophobicContact CG-CD1 4.12Å; P135-A169 WeakPolarHBondContact CG-O 3.49Å; P135-V174 WeakPolarHBondContact CD-O 3.3Å
136	T	83.3	Confident	88.6	Confident	39 Å²	39	37.7 Å²	37.7	24%	0.239	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26	-175.5	48.1	0	0	0	0	114.7	Q50 L59 N61 T138	Q50-T136 HydrophobicContact CG-CG2 3.83Å; L59-T136 HydrophobicContact CB-CG2 3.51Å; L59-T136 WeakPolarHBondContact CB-OG1 3.36Å; L59-T136 WeakPolarHBondContact O-CG2 3.31Å; L59-T136 PolarHBondContact O-N 3.27Å; L59-T136 PolarHBondContact O-OG1 2.92Å; L59-T136 VanDerWaalsContact O-OG1 3.12Å; N61-T136 WeakPolarHBondContact OD1-CG2 3.5Å; T136-T138 PolarHBondContact O-N 3.33Å
137	E	72.7	Confident	88.7	Confident	151 Å²	151	34.2 Å²	34.2	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.5	179.1	-57.4	-170.9	171.8	0	0	112.3	P135 T139	P135-E137 VanDerWaalsContact C-N 3.33Å; P135-E137 PolarHBondContact O-N 2.76Å; E137-T139 PolarHBondContact O-N 3.2Å
138	T	65	Low	88.8	Confident	24 Å²	24	34.1 Å²	34.1	15%	0.147	20%	0.201	C	C	.	.			trans	-82.2	111.2	-176.1	-46.8	0	0	0	0	110.2	P135 T136 A142 L144	P135-T138 WeakPolarHBondContact O-CB 3.22Å; P135-T138 PolarHBondContact O-N 2.72Å; P135-T138 PolarHBondContact O-OG1 3.38Å; T136-T138 PolarHBondContact O-N 3.33Å; T138-A142 HydrophobicContact CG2-CB 3.27Å; T138-L144 HydrophobicContact CG2-CD1 3.62Å; T138-L144 HydrophobicContact CG2-CG 4.01Å; T138-L144 WeakPolarHBondContact OG1-CD1 3.35Å
139	T	66.9	Low	88.8	Confident	103 Å²	103	34 Å²	34	63%	0.632	20%	0.201	S	C	*	.			trans	-79.7	156.6	168.9	56.4	0	0	0	0	111.1	E137 G141 A142	E137-T139 PolarHBondContact O-N 3.2Å; T139-G141 PolarHBondContact O-N 3.36Å; T139-A142 PolarHBondContact O-N 2.74Å
140	A	62.5	Low	88.8	Confident	85 Å²	85	33.7 Å²	33.7	70%	0.702	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	114.7	165.2	0	0	0	0	0	109.4
141	G	66.1	Low	88.7	Confident	52 Å²	52	33.8 Å²	33.8	54%	0.536	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.2	2.7	-176.2	0	0	0	0	0	117	T139 R143	T139-G141 PolarHBondContact O-N 3.36Å; G141-R143 PolarHBondContact O-N 3.1Å
142	A	82.3	Confident	88.5	Confident	45 Å²	45	34.4 Å²	34.4	37%	0.372	21%	0.206	S	C	.	.			trans	-60.6	-29.3	174	0	0	0	0	0	113.7	T138 T139 L144	T138-A142 HydrophobicContact CG2-CB 3.27Å; T139-A142 PolarHBondContact O-N 2.74Å; A142-L144 HydrophobicContact CB-CG 4.19Å
143	R	93.3	Very high	88	Confident	175 Å²	175	35.1 Å²	35.1	66%	0.66	21%	0.214	S	C	*	.			trans	55.5	49.3	179	-60.6	-172.4	-153.8	-160.2	4.6	112.3	G141 G220 D222	G141-R143 PolarHBondContact O-N 3.1Å; R143-G220 WeakPolarHBondContact CA-O 3.37Å; R143-G220 PolarHBondContact N-O 3.26Å; R143-G220 VanDerWaalsContact N-O 3.08Å; R143-D222 HydrophobicContact CB-CB 3.85Å
144	L	97.5	Very high	87.5	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	148.1	173.9	-61.8	-177.6	0	0	0	110.8	P135 T138 A142 V175 G220 G221 D222	P135-L144 HydrophobicContact CG-CD1 4.12Å; T138-L144 HydrophobicContact CG2-CD1 3.62Å; T138-L144 HydrophobicContact CG2-CG 4.01Å; T138-L144 WeakPolarHBondContact OG1-CD1 3.35Å; A142-L144 HydrophobicContact CB-CG 4.19Å; L144-V175 HydrophobicContact CB-CG2 4.31Å; L144-G220 PolarHBondContact N-O 2.88Å; L144-G221 CarbonylContact O-C 3.51Å; L144-G221 WeakPolarHBondContact O-CA 3.45Å; L144-D222 PolarHBondContact O-N 2.91Å
145	P	98.4	Very high	87.2	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	144.9	169.3	-21.5	32	0	0	0	111.5	V174 V175 C225 A504 Y505	P145-V174 HydrophobicContact CB-CG1 4.16Å; P145-V174 HydrophobicContact CG-CG1 4.38Å; P145-V175 PolarHBondContact O-N 2.96Å; P145-C225 WeakPolarHBondContact CA-O 3.19Å; P145-A504 HydrophobicContact CB-CB 4.28Å; P145-Y505 HydrophobicContact CG-CD1 3.32Å; P145-Y505 HydrophobicContact CG-CD2 3.73Å; P145-Y505 HydrophobicContact CG-CE1 3.35Å; P145-Y505 HydrophobicContact CG-CE2 3.72Å; P145-Y505 HydrophobicContact CG-CG 3.5Å
146	V	98.9	Very high	87.1	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126	178.8	-174.7	0	0	0	0	108.6	V148 V175 V177 V212 I216 C225 V226 T227	V146-V148 HydrophobicContact CG1-CG2 3.94Å; V146-V175 CarbonylContact C-O 3.02Å; V146-V175 VanDerWaalsContact CA-O 3.32Å; V146-V175 WeakPolarHBondContact CA-O 3.47Å; V146-V175 HydrophobicContact CG2-CB 4.4Å; V146-V177 HydrophobicContact CG1-CG2 3.84Å; V146-V212 HydrophobicContact CG1-CG1 4.06Å; V146-I216 HydrophobicContact CG1-CD1 4.41Å; V146-I216 HydrophobicContact CG1-CG1 4Å; V146-I216 HydrophobicContact CG2-CG1 3.75Å; V146-I216 HydrophobicContact CG2-CG2 4.05Å; V146-C225 PolarHBondContact N-O 3.48Å; V146-V226 HydrophobicContact CB-CG2 4.12Å; V146-V226 HydrophobicContact CG2-CG2 4.49Å; V146-V226 CarbonylContact O-C 3.47Å; V146-V226 WeakPolarHBondContact O-CA 3.34Å; V146-T227 PolarHBondContact O-N 3.05Å
147	M	98.9	Very high	87.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.1	174.6	-64.5	-171.1	68.7	0	0	109.7	L168 V174 V175 V176 V177 T227 F229 I255 W500 T501 A504	M147-L168 HydrophobicContact CE-CD2 4.46Å; M147-L168 HydrophobicContact SD-CD2 4.33Å; M147-V174 HydrophobicContact CG-CG2 4.47Å; M147-V174 HydrophobicContact SD-CG2 4.11Å; M147-V175 PolarHBondContact N-O 3.17Å; M147-V176 CarbonylContact O-C 3.5Å; M147-V176 WeakPolarHBondContact O-CA 3.38Å; M147-V177 PolarHBondContact O-N 2.63Å; M147-T227 CarbonylContact C-O 3.54Å; M147-T227 WeakPolarHBondContact CA-O 3.47Å; M147-F229 HydrophobicContact CB-CD1 4.2Å; M147-F229 HydrophobicContact CB-CE1 3.78Å; M147-F229 HydrophobicContact CB-CZ 4.45Å; M147-F229 HydrophobicContact CE-CD1 4.34Å; M147-F229 HydrophobicContact CE-CD2 4.37Å; M147-F229 HydrophobicContact CE-CE1 4.38Å; M147-F229 HydrophobicContact CE-CE2 4.4Å; M147-F229 HydrophobicContact CE-CG 4.36Å; M147-F229 HydrophobicContact CE-CZ 4.41Å; M147-I255 HydrophobicContact CE-CD1 4.26Å; M147-W500 HydrophobicContact CE-CB 4.3Å; M147-T501 HydrophobicContact SD-CG2 4.07Å; M147-A504 HydrophobicContact CE-CB 4.39Å; M147-A504 HydrophobicContact CG-CB 3.7Å; M147-A504 HydrophobicContact SD-CB 3.77Å
148	V	98.9	Very high	88.3	Confident	0 Å²	0	29 Å²	29	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.9	-176.5	-173.5	0	0	0	0	109.9	V146 V177 V179 L209 V212 V226 T227 I228 F229	V146-V148 HydrophobicContact CG1-CG2 3.94Å; V148-V177 CarbonylContact C-O 3.48Å; V148-V177 WeakPolarHBondContact CA-O 3.46Å; V148-V177 HydrophobicContact CG1-CB 4.42Å; V148-V177 HydrophobicContact CG1-CG1 4.48Å; V148-V177 HydrophobicContact CG2-CB 4.23Å; V148-V179 HydrophobicContact CG1-CG2 3.58Å; V148-L209 HydrophobicContact CB-CD2 4.25Å; V148-L209 HydrophobicContact CG1-CD2 4.01Å; V148-L209 HydrophobicContact CG2-CD2 4.21Å; V148-V212 HydrophobicContact CG2-CG1 4.37Å; V148-V212 HydrophobicContact CG2-CG2 4.23Å; V148-V226 HydrophobicContact CG2-CG1 3.85Å; V148-T227 PolarHBondContact N-O 3.33Å; V148-I228 HydrophobicContact CB-CG2 4.32Å; V148-I228 WeakPolarHBondContact O-CA 3.39Å; V148-F229 VanDerWaalsContact O-CD1 3.32Å; V148-F229 WeakPolarHBondContact O-CD1 3.37Å; V148-F229 PolarHBondContact O-N 2.75Å
149	W	98.9	Very high	89.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.3	-179.9	176.7	-114.4	0	0	0	112.3	H163 V177 T178 V179 F229 G230 N231 F468	W149-H163 AromaticContact CD1-CG 3.78Å; W149-H163 AromaticContact CE2-CD2 3.46Å; W149-H163 VanDerWaalsContact CE2-CD2 3.46Å; W149-H163 AromaticContact CE2-CG 3.93Å; W149-H163 AromaticContact CE2-NE2 3.69Å; W149-H163 AromaticContact CZ2-CD2 3.48Å; W149-H163 VanDerWaalsContact CZ2-CD2 3.48Å; W149-H163 WeakPolarHBondContact CZ2-CD2 3.04Å; W149-H163 AromaticContact CZ2-NE2 3.43Å; W149-H163 WeakPolarHBondContact CZ2-NE2 3.21Å; W149-H163 AromaticContact NE1-CD2 3.15Å; W149-H163 PolarHBondContact NE1-CD2 2.81Å; W149-H163 AromaticContact NE1-CE1 3.56Å; W149-H163 AromaticContact NE1-CG 3.14Å; W149-H163 AromaticContact NE1-ND1 3.38Å; W149-H163 PolarHBondContact NE1-ND1 3.49Å; W149-H163 AromaticContact NE1-NE2 3.42Å; W149-H163 PolarHBondContact NE1-NE2 3.13Å; W149-V177 PolarHBondContact N-O 3.42Å; W149-T178 HydrophobicContact CB-CG2 3.95Å; W149-T178 HydrophobicContact CG-CG2 4.36Å; W149-V179 PolarHBondContact O-N 2.77Å; W149-V179 VanDerWaalsContact O-N 3.12Å; W149-F229 CarbonylContact C-O 2.93Å; W149-F229 VanDerWaalsContact CA-O 3.29Å; W149-F229 WeakPolarHBondContact CA-O 3.37Å; W149-F229 HydrophobicContact CB-CD1 4.24Å; W149-F229 HydrophobicContact CB-CE1 3.57Å; W149-F229 HydrophobicContact CB-CZ 3.78Å; W149-F229 HydrophobicContact CD2-CE2 4.29Å; W149-F229 HydrophobicContact CD2-CZ 4.31Å; W149-F229 HydrophobicContact CE3-CD1 4.14Å; W149-F229 AromaticContact CE3-CD2 3.39Å; W149-F229 HydrophobicContact CE3-CD2 3.39Å; W149-F229 HydrophobicContact CE3-CE1 4.12Å; W149-F229 AromaticContact CE3-CE2 3.37Å; W149-F229 HydrophobicContact CE3-CE2 3.37Å; W149-F229 AromaticContact CE3-CG 3.77Å; W149-F229 HydrophobicContact CE3-CG 3.77Å; W149-F229 AromaticContact CE3-CZ 3.75Å; W149-F229 HydrophobicContact CE3-CZ 3.75Å; W149-F229 VanDerWaalsContact CE3-O 3.31Å; W149-F229 HydrophobicContact CG-CZ 4.37Å; W149-F229 AromaticContact CZ3-CD2 3.64Å; W149-F229 HydrophobicContact CZ3-CD2 3.64Å; W149-F229 AromaticContact CZ3-CE2 3.82Å; W149-F229 HydrophobicContact CZ3-CE2 3.82Å; W149-F229 HydrophobicContact CZ3-CG 4.3Å; W149-G230 VanDerWaalsContact CZ3-CA 3.41Å; W149-N231 HydrophobicContact CH2-CB 3.47Å; W149-N231 VanDerWaalsContact CH2-CB 3.47Å; W149-N231 VanDerWaalsContact CH2-N 3.31Å; W149-N231 HydrophobicContact CZ2-CB 4.12Å; W149-N231 HydrophobicContact CZ3-CB 4.39Å; W149-F468 HydrophobicContact CB-CZ 4.23Å; W149-F468 AromaticContact CD2-CE2 3.97Å; W149-F468 HydrophobicContact CD2-CE2 3.97Å; W149-F468 AromaticContact CD2-CZ 3.55Å; W149-F468 HydrophobicContact CD2-CZ 3.55Å; W149-F468 AromaticContact CE2-CE2 4Å; W149-F468 AromaticContact CE2-CZ 3.86Å; W149-F468 AromaticContact CE3-CE2 3.97Å; W149-F468 HydrophobicContact CE3-CE2 3.97Å; W149-F468 AromaticContact CE3-CZ 3.82Å; W149-F468 HydrophobicContact CE3-CZ 3.82Å; W149-F468 AromaticContact CG-CZ 3.74Å; W149-F468 HydrophobicContact CG-CZ 3.74Å; W149-F468 AromaticContact CH2-CE2 3.94Å; W149-F468 HydrophobicContact CH2-CE2 3.94Å; W149-F468 HydrophobicContact CZ2-CE2 4.01Å; W149-F468 HydrophobicContact CZ2-CZ 4.35Å; W149-F468 AromaticContact CZ3-CE2 3.95Å; W149-F468 HydrophobicContact CZ3-CE2 3.95Å; W149-F468 HydrophobicContact CZ3-CZ 4.28Å
150	I	98.8	Very high	90.8	Very high	0 Å²	0	23 Å²	23	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.2	172.6	-58	154.5	0	0	0	107.8	Y181 V205 F229 G230 G234 I237 V238 L241	I150-Y181 HydrophobicContact CG2-CD1 4.33Å; I150-Y181 HydrophobicContact CG2-CE1 3.8Å; I150-V205 HydrophobicContact CD1-CG1 3.75Å; I150-V205 HydrophobicContact CG1-CG1 3.94Å; I150-F229 PolarHBondContact N-O 2.7Å; I150-G230 VanDerWaalsContact O-CA 3.24Å; I150-G230 WeakPolarHBondContact O-CA 3.42Å; I150-G234 WeakPolarHBondContact O-CA 3.11Å; I150-I237 HydrophobicContact CD1-CG2 4.21Å; I150-I237 HydrophobicContact CG2-CB 4.03Å; I150-I237 HydrophobicContact CG2-CD1 3.9Å; I150-I237 HydrophobicContact CG2-CG2 3.97Å; I150-V238 HydrophobicContact CD1-CG2 3.76Å; I150-L241 HydrophobicContact CD1-CD1 3.73Å
151	H	96.9	Very high	92.2	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	12%	0.123	C	C	.	.			trans	-73.9	151.7	-176.3	71.2	78	0	0	0	112.4	G158 Q180 Y181	H151-G158 VanDerWaalsContact CE1-C 3.46Å; H151-Q180 PolarHBondContact NE2-OE1 3.32Å; H151-Y181 AromaticContact CD2-CE1 3.73Å; H151-Y181 AromaticContact CE1-CE1 3.59Å; H151-Y181 AromaticContact CE1-CZ 3.71Å; H151-Y181 AromaticContact ND1-CE1 3.97Å; H151-Y181 AromaticContact NE2-CD1 3.82Å; H151-Y181 AromaticContact NE2-CE1 3.43Å; H151-Y181 WeakPolarHBondContact NE2-CE1 3.48Å; H151-Y181 PolarHBondContact O-OH 2.93Å
152	G	93.3	Very high	93.3	Very high	13 Å²	13	17.4 Å²	17.4	13%	0.134	10%	0.102	C	C	.	.			trans	-82.5	-162.1	170	0	0	0	0	0	113.4	N231	G152-N231 WeakPolarHBondContact CA-O 3.42Å
153	G	88.7	Confident	93.8	Very high	16 Å²	16	16.3 Å²	16.3	17%	0.165	9%	0.089	C	C	.	.	S	Bend	trans	116.8	37	179	0	0	0	0	0	114.7	L155 V156 V157	G153-L155 PolarHBondContact O-N 3.28Å; G153-V156 PolarHBondContact O-N 3.32Å; G153-V157 CarbonylContact C-O 3.36Å; G153-V157 VanDerWaalsContact CA-O 3.31Å; G153-V157 WeakPolarHBondContact CA-O 3.39Å; G153-V157 WeakPolarHBondContact O-CG2 3.43Å; G153-V157 PolarHBondContact O-N 3.49Å
154	S	87	Confident	93.9	Very high	39 Å²	39	8.9 Å²	8.9	27%	0.273	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	26	173.2	-54.4	0	0	0	0	114.9	V156	S154-V156 PolarHBondContact O-N 2.82Å; S154-V156 VanDerWaalsContact O-N 3.09Å
155	L	91	Very high	93.9	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.016	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	0.4	-171.3	-54.6	174.4	0	0	0	115.2	G153 Y181 L183 G184 F188 V233 I237 L266 I312	G153-L155 PolarHBondContact O-N 3.28Å; L155-Y181 HydrophobicContact CD2-CE2 4.49Å; L155-L183 CarbonylContact O-C 3.52Å; L155-L183 VanDerWaalsContact O-CA 3.27Å; L155-L183 WeakPolarHBondContact O-CA 3.45Å; L155-L183 WeakPolarHBondContact O-CB 3.49Å; L155-L183 WeakPolarHBondContact O-CD2 3.22Å; L155-G184 PolarHBondContact O-N 3.29Å; L155-F188 HydrophobicContact CB-CD2 4.06Å; L155-F188 HydrophobicContact CB-CE2 3.83Å; L155-F188 HydrophobicContact CB-CZ 4.32Å; L155-F188 HydrophobicContact CD1-CD1 4.19Å; L155-F188 HydrophobicContact CD1-CD2 4.46Å; L155-F188 HydrophobicContact CD1-CE1 4.09Å; L155-F188 HydrophobicContact CD1-CE2 4.39Å; L155-F188 HydrophobicContact CD1-CG 4.39Å; L155-F188 HydrophobicContact CD1-CZ 4.24Å; L155-F188 HydrophobicContact CD2-CE1 4.03Å; L155-F188 HydrophobicContact CD2-CE2 3.9Å; L155-F188 HydrophobicContact CD2-CZ 3.53Å; L155-F188 HydrophobicContact CG-CE2 4.27Å; L155-F188 HydrophobicContact CG-CZ 4.26Å; L155-V233 HydrophobicContact CD2-CG1 3.13Å; L155-V233 HydrophobicContact CG-CG1 3.55Å; L155-I237 HydrophobicContact CD2-CD1 4.05Å; L155-I237 HydrophobicContact CD2-CG1 4.43Å; L155-L266 HydrophobicContact CD1-CD1 4.2Å; L155-L266 HydrophobicContact CD1-CD2 3.71Å; L155-L266 HydrophobicContact CG-CD2 4.32Å; L155-I312 HydrophobicContact CB-CG2 3.76Å; L155-I312 HydrophobicContact CD1-CG2 4.15Å
156	V	90	Very high	93.9	Very high	13 Å²	13	8.1 Å²	8.1	8%	0.079	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-24	-170.9	-65	0	0	0	0	113.7	Q102 G153 S154 Q307 I312	Q102-V156 WeakPolarHBondContact CB-O 3.24Å; G153-V156 PolarHBondContact O-N 3.32Å; S154-V156 PolarHBondContact O-N 2.82Å; S154-V156 VanDerWaalsContact O-N 3.09Å; V156-Q307 VanDerWaalsContact CG1-OE1 3.24Å; V156-I312 HydrophobicContact CG1-CB 4.18Å; V156-I312 HydrophobicContact CG1-CG1 4.01Å; V156-I312 HydrophobicContact CG1-CG2 4.25Å
157	V	89.7	Confident	93.9	Very high	5 Å²	5	8.1 Å²	8.1	3%	0.03	6%	0.059	C	C	.	.	S	Bend	trans	-136.3	168.1	176.7	-64	0	0	0	0	110.2	Q102 M107 F112 G153	Q102-V157 HydrophobicContact CB-CG1 4.39Å; M107-V157 HydrophobicContact CG-CB 4.23Å; M107-V157 HydrophobicContact CG-CG1 3.9Å; M107-V157 HydrophobicContact SD-CB 4.31Å; M107-V157 HydrophobicContact SD-CG1 4.35Å; F112-V157 HydrophobicContact CD1-CG2 4.08Å; F112-V157 HydrophobicContact CD2-CG2 4.31Å; F112-V157 HydrophobicContact CE1-CG2 3.79Å; F112-V157 HydrophobicContact CE2-CG2 4.03Å; F112-V157 HydrophobicContact CG-CG2 4.33Å; F112-V157 HydrophobicContact CZ-CG2 3.75Å; G153-V157 CarbonylContact C-O 3.36Å; G153-V157 VanDerWaalsContact CA-O 3.31Å; G153-V157 WeakPolarHBondContact CA-O 3.39Å; G153-V157 WeakPolarHBondContact O-CG2 3.43Å; G153-V157 PolarHBondContact O-N 3.49Å
158	G	90.6	Very high	93.8	Very high	16 Å²	16	8.1 Å²	8.1	17%	0.165	6%	0.059	C	C	.	.			trans	130.1	168.6	174.1	0	0	0	0	0	113.8	Q102 H151	Q102-G158 PolarHBondContact NE2-O 3.39Å; Q102-G158 PolarHBondContact OE1-O 2.93Å; H151-G158 VanDerWaalsContact CE1-C 3.46Å
159	S	92	Very high	93.8	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.014	6%	0.059	C	C	.	.			trans	-158.1	136.3	-177.8	177.1	0	0	0	0	112.9	M99 T161 S162 H163 Q180	M99-S159 VanDerWaalsContact SD-CB 3.57Å; S159-T161 VanDerWaalsContact C-N 3.31Å; S159-T161 PolarHBondContact OG-N 2.92Å; S159-T161 VanDerWaalsContact OG-N 3.11Å; S159-S162 PolarHBondContact O-N 2.86Å; S159-H163 PolarHBondContact O-ND1 2.95Å; S159-Q180 VanDerWaalsContact CA-OE1 3.25Å
160	A	94.1	Very high	93.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-62.7	-38	168.5	0	0	0	0	0	111.5	S162 H163 T178 Q180	A160-S162 PolarHBondContact O-N 2.92Å; A160-H163 PolarHBondContact O-N 3.08Å; A160-T178 PolarHBondContact O-OG1 2.55Å; A160-Q180 HydrophobicContact CB-CG 3.82Å
161	T	90.7	Very high	93.7	Very high	5 Å²	5	11.4 Å²	11.4	3%	0.031	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.6	-179.2	-47.5	0	0	0	0	112.2	N96 Y121 S159 H163	N96-T161 HydrophobicContact CB-CG2 3.97Å; N96-T161 WeakPolarHBondContact OD1-CG2 3.46Å; Y121-T161 HydrophobicContact CD1-CG2 4.39Å; Y121-T161 HydrophobicContact CD2-CG2 4.49Å; Y121-T161 HydrophobicContact CE1-CG2 3.9Å; Y121-T161 HydrophobicContact CE2-CG2 4Å; S159-T161 VanDerWaalsContact C-N 3.31Å; S159-T161 PolarHBondContact OG-N 2.92Å; S159-T161 VanDerWaalsContact OG-N 3.11Å; T161-H163 PolarHBondContact O-N 2.97Å
162	S	89.5	Confident	93.7	Very high	14 Å²	14	11.7 Å²	11.7	10%	0.098	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7	175.4	-58.1	0	0	0	0	114	S159 A160	S159-S162 PolarHBondContact O-N 2.86Å; A160-S162 PolarHBondContact O-N 2.92Å
163	H	92.8	Very high	93.8	Very high	22 Å²	22	14.6 Å²	14.6	10%	0.102	9%	0.088	C	C	.	.	S	Bend	trans	-117.8	94.2	-177.8	-61	78.4	0	0	0	109.1	W149 S159 A160 T161 G165 T178 F468 L480	W149-H163 AromaticContact CD1-CG 3.78Å; W149-H163 AromaticContact CE2-CD2 3.46Å; W149-H163 VanDerWaalsContact CE2-CD2 3.46Å; W149-H163 AromaticContact CE2-CG 3.93Å; W149-H163 AromaticContact CE2-NE2 3.69Å; W149-H163 AromaticContact CZ2-CD2 3.48Å; W149-H163 VanDerWaalsContact CZ2-CD2 3.48Å; W149-H163 WeakPolarHBondContact CZ2-CD2 3.04Å; W149-H163 AromaticContact CZ2-NE2 3.43Å; W149-H163 WeakPolarHBondContact CZ2-NE2 3.21Å; W149-H163 AromaticContact NE1-CD2 3.15Å; W149-H163 PolarHBondContact NE1-CD2 2.81Å; W149-H163 AromaticContact NE1-CE1 3.56Å; W149-H163 AromaticContact NE1-CG 3.14Å; W149-H163 AromaticContact NE1-ND1 3.38Å; W149-H163 PolarHBondContact NE1-ND1 3.49Å; W149-H163 AromaticContact NE1-NE2 3.42Å; W149-H163 PolarHBondContact NE1-NE2 3.13Å; S159-H163 PolarHBondContact O-ND1 2.95Å; A160-H163 PolarHBondContact O-N 3.08Å; T161-H163 PolarHBondContact O-N 2.97Å; H163-G165 PolarHBondContact O-N 3.24Å; H163-T178 HydrophobicContact CB-CG2 4.31Å; H163-T178 WeakPolarHBondContact O-CG2 3.48Å; H163-F468 HydrophobicContact CB-CD1 4.4Å; H163-F468 HydrophobicContact CB-CE1 3.9Å; H163-F468 HydrophobicContact CB-CZ 4Å; H163-F468 AromaticContact CD2-CE2 3.96Å; H163-L480 HydrophobicContact CB-CD1 4.41Å
164	D	95.6	Very high	94.2	Very high	19 Å²	19	13.8 Å²	13.8	10%	0.102	8%	0.08	C	C	.	.			trans	-75.9	112.1	178.5	-169.2	-27.5	0	0	0	110.1	Y133 S166 F468 L473	Y133-D164 WeakPolarHBondContact CE1-OD1 3.26Å; D164-S166 VanDerWaalsContact C-N 3.27Å; D164-S166 PolarHBondContact O-N 3Å; D164-S166 WeakPolarHBondContact OD1-CB 3.33Å; D164-S166 PolarHBondContact OD1-N 2.72Å; D164-S166 PolarHBondContact OD1-OG 2.93Å; D164-F468 WeakPolarHBondContact O-CD1 3.36Å; D164-L473 HydrophobicContact CB-CD1 4.21Å; D164-L473 HydrophobicContact CB-CD2 4.08Å
165	G	97.8	Very high	94.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.			trans	-79.8	0.9	180	0	0	0	0	0	115	H163 A167 L168 A169	H163-G165 PolarHBondContact O-N 3.24Å; G165-A167 PolarHBondContact O-N 3.47Å; G165-L168 PolarHBondContact O-N 2.93Å; G165-A169 WeakPolarHBondContact O-CB 3.45Å; G165-A169 PolarHBondContact O-N 3.3Å
166	S	97.9	Very high	95.1	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-48	-169.5	-56.5	0	0	0	0	112.8	V60 Y133 D164 A169 A170	V60-S166 WeakPolarHBondContact CG2-O 3.4Å; Y133-S166 WeakPolarHBondContact CD1-OG 3.38Å; D164-S166 VanDerWaalsContact C-N 3.27Å; D164-S166 PolarHBondContact O-N 3Å; D164-S166 WeakPolarHBondContact OD1-CB 3.33Å; D164-S166 PolarHBondContact OD1-N 2.72Å; D164-S166 PolarHBondContact OD1-OG 2.93Å; S166-A169 PolarHBondContact O-N 2.95Å; S166-A170 WeakPolarHBondContact O-CB 3.39Å; S166-A170 PolarHBondContact O-N 3.02Å
167	A	98.2	Very high	95.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.9	-42.1	-179.2	0	0	0	0	0	111.9	V53 G165 A169 A170 Y171 F472 L473	V53-A167 HydrophobicContact CG1-CB 3.82Å; G165-A167 PolarHBondContact O-N 3.47Å; A167-A169 VanDerWaalsContact C-N 3.33Å; A167-A169 PolarHBondContact O-N 3.05Å; A167-A170 PolarHBondContact O-N 3.39Å; A167-Y171 HydrophobicContact CB-CD2 4.39Å; A167-Y171 WeakPolarHBondContact O-CB 3.31Å; A167-Y171 WeakPolarHBondContact O-CD2 2.96Å; A167-Y171 PolarHBondContact O-N 3.01Å; A167-F472 HydrophobicContact CB-CB 4.09Å; A167-L473 HydrophobicContact CB-CD2 4Å
168	L	98.6	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-41.4	175.3	-179.4	59.2	0	0	0	112	M147 G165 G172 V174 V176 F229 M497 T501	M147-L168 HydrophobicContact CE-CD2 4.46Å; M147-L168 HydrophobicContact SD-CD2 4.33Å; G165-L168 PolarHBondContact O-N 2.93Å; L168-G172 VanDerWaalsContact O-CA 3.3Å; L168-G172 WeakPolarHBondContact O-CA 3.39Å; L168-G172 PolarHBondContact O-N 3.43Å; L168-V174 HydrophobicContact CG-CG2 4.44Å; L168-V176 HydrophobicContact CB-CG2 4.15Å; L168-V176 HydrophobicContact CD2-CG2 3.94Å; L168-V176 HydrophobicContact CG-CG2 3.91Å; L168-F229 HydrophobicContact CD2-CE2 4.38Å; L168-F229 HydrophobicContact CD2-CZ 4.12Å; L168-M497 HydrophobicContact CB-SD 4.48Å; L168-M497 HydrophobicContact CD1-CB 4.09Å; L168-M497 HydrophobicContact CD1-CG 3.98Å; L168-M497 HydrophobicContact CD1-SD 4.42Å; L168-T501 HydrophobicContact CD1-CG2 3.56Å; L168-T501 HydrophobicContact CG-CG2 4.47Å
169	A	98.3	Very high	96.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.2	-49.2	174.9	0	0	0	0	0	111.6	V60 P135 G165 S166 A167 D173 V174 V176	V60-A169 HydrophobicContact CG1-CB 4.33Å; P135-A169 WeakPolarHBondContact CG-O 3.49Å; G165-A169 WeakPolarHBondContact O-CB 3.45Å; G165-A169 PolarHBondContact O-N 3.3Å; S166-A169 PolarHBondContact O-N 2.95Å; A167-A169 VanDerWaalsContact C-N 3.33Å; A167-A169 PolarHBondContact O-N 3.05Å; A169-D173 WeakPolarHBondContact O-CA 3.5Å; A169-D173 PolarHBondContact O-N 3.35Å; A169-V174 WeakPolarHBondContact CA-O 3.48Å; A169-V174 WeakPolarHBondContact CB-O 3.41Å; A169-V174 PolarHBondContact O-N 3.14Å; A169-V176 HydrophobicContact CB-CG2 4.15Å
170	A	97.3	Very high	96.7	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.008	5%	0.052	C	C	.	.	H	α-helix	trans	-66.2	-44.5	-175.8	0	0	0	0	0	113.7	V53 T56 H58 V60 S166 A167	V53-A170 HydrophobicContact CB-CB 4.13Å; V53-A170 HydrophobicContact CG1-CB 4.41Å; V53-A170 HydrophobicContact CG2-CB 3.79Å; T56-A170 HydrophobicContact CG2-CB 4.33Å; H58-A170 HydrophobicContact CB-CB 4.12Å; H58-A170 PolarHBondContact ND1-O 2.82Å; V60-A170 HydrophobicContact CG2-CB 3.8Å; S166-A170 WeakPolarHBondContact O-CB 3.39Å; S166-A170 PolarHBondContact O-N 3.02Å; A167-A170 PolarHBondContact O-N 3.39Å
171	Y	97.4	Very high	96.9	Very high	67 Å²	67	10.1 Å²	10.1	26%	0.263	5%	0.052	S	C	.	.	H	α-helix	trans	-82.1	-31.6	-179.7	-78.2	-76.4	0	0	0	113	V53 K54 G55 T56 A167 F472 L494 M497	V53-Y171 HydrophobicContact CG1-CD2 4.12Å; V53-Y171 HydrophobicContact CG1-CE2 3.58Å; K54-Y171 PolarHBondContact O-OH 3.22Å; G55-Y171 VanDerWaalsContact CA-OH 3.32Å; G55-Y171 WeakPolarHBondContact CA-OH 3.45Å; G55-Y171 PolarHBondContact O-OH 3.43Å; T56-Y171 HydrophobicContact CG2-CE1 4.37Å; T56-Y171 HydrophobicContact CG2-CE2 4.12Å; A167-Y171 HydrophobicContact CB-CD2 4.39Å; A167-Y171 WeakPolarHBondContact O-CB 3.31Å; A167-Y171 WeakPolarHBondContact O-CD2 2.96Å; A167-Y171 PolarHBondContact O-N 3.01Å; Y171-F472 HydrophobicContact CE2-CB 3.79Å; Y171-F472 HydrophobicContact CE2-CD1 4.06Å; Y171-F472 AromaticContact CE2-CD2 3.94Å; Y171-F472 HydrophobicContact CE2-CD2 3.94Å; Y171-F472 AromaticContact CE2-CG 3.65Å; Y171-F472 HydrophobicContact CE2-CG 3.65Å; Y171-F472 AromaticContact CZ-CD1 4Å; Y171-F472 WeakPolarHBondContact OH-CD1 3.49Å; Y171-L494 HydrophobicContact CD1-CD2 3.5Å; Y171-L494 HydrophobicContact CE1-CD2 3.46Å; Y171-L494 VanDerWaalsContact CE1-CD2 3.46Å; Y171-L494 HydrophobicContact CE2-CD2 4.49Å; Y171-L494 HydrophobicContact CG-CD2 4.06Å; Y171-M497 HydrophobicContact CD2-CE 3.68Å; Y171-M497 HydrophobicContact CD2-SD 4.44Å; Y171-M497 HydrophobicContact CE2-CE 4.38Å; Y171-M497 HydrophobicContact CG-CE 3.85Å
172	G	96.6	Very high	97.2	Very high	8 Å²	8	10.1 Å²	10.1	8%	0.082	5%	0.052	C	C	.	.	H	α-helix	trans	-87.8	-15.5	-176.9	0	0	0	0	0	114.8	L168 T501	L168-G172 VanDerWaalsContact O-CA 3.3Å; L168-G172 WeakPolarHBondContact O-CA 3.39Å; L168-G172 PolarHBondContact O-N 3.43Å; G172-T501 VanDerWaalsContact CA-CG2 3.46Å
173	D	95.7	Very high	97.5	Very high	73 Å²	73	9.5 Å²	9.5	39%	0.39	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	55.7	-168.8	-165.5	31.4	0	0	0	111.3	A169 Y505	A169-D173 WeakPolarHBondContact O-CA 3.5Å; A169-D173 PolarHBondContact O-N 3.35Å; D173-Y505 PolarHBondContact O-OH 3.05Å
174	V	98.1	Very high	97.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.			trans	-134.7	156.3	-178.6	-66.6	0	0	0	0	110.5	P135 P145 M147 L168 A169 V176 T501 Y505	P135-V174 WeakPolarHBondContact CD-O 3.3Å; P145-V174 HydrophobicContact CB-CG1 4.16Å; P145-V174 HydrophobicContact CG-CG1 4.38Å; M147-V174 HydrophobicContact CG-CG2 4.47Å; M147-V174 HydrophobicContact SD-CG2 4.11Å; L168-V174 HydrophobicContact CG-CG2 4.44Å; A169-V174 WeakPolarHBondContact CA-O 3.48Å; A169-V174 WeakPolarHBondContact CB-O 3.41Å; A169-V174 PolarHBondContact O-N 3.14Å; V174-V176 HydrophobicContact CG2-CG2 4Å; V174-T501 HydrophobicContact CG1-CG2 4Å; V174-T501 HydrophobicContact CG2-CG2 3.9Å; V174-Y505 HydrophobicContact CG1-CD2 4.42Å; V174-Y505 HydrophobicContact CG1-CE2 3.8Å
175	V	98.6	Very high	97.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119	168	179.1	0	0	0	0	108.7	I132 Y133 L144 P145 V146 M147 V177 I216	I132-V175 HydrophobicContact CG2-CG1 3.87Å; Y133-V175 WeakPolarHBondContact O-CA 3.17Å; L144-V175 HydrophobicContact CB-CG2 4.31Å; P145-V175 PolarHBondContact O-N 2.96Å; V146-V175 CarbonylContact C-O 3.02Å; V146-V175 VanDerWaalsContact CA-O 3.32Å; V146-V175 WeakPolarHBondContact CA-O 3.47Å; V146-V175 HydrophobicContact CG2-CB 4.4Å; M147-V175 PolarHBondContact N-O 3.17Å; V175-V177 HydrophobicContact CG1-CG2 4.31Å; V175-I216 HydrophobicContact CG1-CD1 3.87Å; V175-I216 HydrophobicContact CG1-CG1 4.22Å
176	V	98.9	Very high	97.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.5	175	-175.8	0	0	0	0	109.2	I132 Y133 M147 L168 A169 V174 T178	I132-V176 WeakPolarHBondContact CA-O 3.35Å; Y133-V176 HydrophobicContact CD2-CB 4.42Å; Y133-V176 PolarHBondContact N-O 2.95Å; Y133-V176 PolarHBondContact O-N 2.97Å; M147-V176 CarbonylContact O-C 3.5Å; M147-V176 WeakPolarHBondContact O-CA 3.38Å; L168-V176 HydrophobicContact CB-CG2 4.15Å; L168-V176 HydrophobicContact CD2-CG2 3.94Å; L168-V176 HydrophobicContact CG-CG2 3.91Å; A169-V176 HydrophobicContact CB-CG2 4.15Å; V174-V176 HydrophobicContact CG2-CG2 4Å; V176-T178 HydrophobicContact CG1-CG2 4.42Å
177	V	98.9	Very high	97.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.7	175.4	-177.3	0	0	0	0	108.4	L130 N131 I132 V146 M147 V148 W149 V175 V179 V212 I216	L130-V177 HydrophobicContact CB-CG1 4.08Å; L130-V177 HydrophobicContact CD1-CG1 4.19Å; L130-V177 HydrophobicContact CD2-CG1 4.19Å; L130-V177 HydrophobicContact CG-CG1 4.39Å; N131-V177 CarbonylContact O-C 3.58Å; N131-V177 VanDerWaalsContact O-CA 3.24Å; N131-V177 WeakPolarHBondContact O-CA 3.34Å; I132-V177 HydrophobicContact CG1-CG2 4.38Å; V146-V177 HydrophobicContact CG1-CG2 3.84Å; M147-V177 PolarHBondContact O-N 2.63Å; V148-V177 CarbonylContact C-O 3.48Å; V148-V177 WeakPolarHBondContact CA-O 3.46Å; V148-V177 HydrophobicContact CG1-CB 4.42Å; V148-V177 HydrophobicContact CG1-CG1 4.48Å; V148-V177 HydrophobicContact CG2-CB 4.23Å; W149-V177 PolarHBondContact N-O 3.42Å; V175-V177 HydrophobicContact CG1-CG2 4.31Å; V177-V179 HydrophobicContact CG1-CG2 4.11Å; V177-V212 HydrophobicContact CG1-CG2 4.28Å; V177-V212 HydrophobicContact CG2-CG2 4.49Å; V177-I216 HydrophobicContact CG2-CD1 3.7Å
178	T	98.8	Very high	97.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.1	172.4	68.6	0	0	0	0	110.1	L130 N131 Y133 W149 A160 H163 V176	L130-T178 CarbonylContact C-O 3.59Å; L130-T178 VanDerWaalsContact CA-O 3.22Å; L130-T178 WeakPolarHBondContact CA-O 3.46Å; L130-T178 WeakPolarHBondContact CB-O 3.44Å; N131-T178 WeakPolarHBondContact CB-OG1 3.25Å; N131-T178 PolarHBondContact N-O 2.66Å; N131-T178 PolarHBondContact ND2-OG1 2.84Å; N131-T178 PolarHBondContact O-N 2.96Å; Y133-T178 HydrophobicContact CE2-CG2 4.09Å; W149-T178 HydrophobicContact CB-CG2 3.95Å; W149-T178 HydrophobicContact CG-CG2 4.36Å; A160-T178 PolarHBondContact O-OG1 2.55Å; H163-T178 HydrophobicContact CB-CG2 4.31Å; H163-T178 WeakPolarHBondContact O-CG2 3.48Å; V176-T178 HydrophobicContact CG1-CG2 4.42Å
179	V	98.5	Very high	96.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.4	-169	174.2	0	0	0	0	111.2	F68 L130 V148 W149 V177 A208	F68-V179 HydrophobicContact CE1-CG1 4.15Å; F68-V179 HydrophobicContact CZ-CG1 4.47Å; L130-V179 HydrophobicContact CB-CG2 4.27Å; V148-V179 HydrophobicContact CG1-CG2 3.58Å; W149-V179 PolarHBondContact O-N 2.77Å; W149-V179 VanDerWaalsContact O-N 3.12Å; V177-V179 HydrophobicContact CG1-CG2 4.11Å; V179-A208 HydrophobicContact CB-CB 4.36Å; V179-A208 HydrophobicContact CG1-CB 3.45Å; V179-A208 VanDerWaalsContact CG1-CB 3.45Å; V179-A208 HydrophobicContact CG2-CB 3.91Å
180	Q	98.2	Very high	96.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.			trans	-85.6	148.9	163.9	-74.4	-68.5	88.3	0	0	111.2	F68 C127 I129 H151 S159 A160	F68-Q180 VanDerWaalsContact CE1-O 3.24Å; F68-Q180 WeakPolarHBondContact CE1-O 3.46Å; F68-Q180 WeakPolarHBondContact CZ-O 3.31Å; C127-Q180 WeakPolarHBondContact O-CB 3.33Å; I129-Q180 HydrophobicContact CD1-CB 4.25Å; I129-Q180 HydrophobicContact CD1-CG 3.53Å; I129-Q180 HydrophobicContact CG1-CB 4.37Å; I129-Q180 HydrophobicContact CG1-CG 3.98Å; I129-Q180 WeakPolarHBondContact O-CB 3.38Å; I129-Q180 PolarHBondContact O-N 3.25Å; H151-Q180 PolarHBondContact NE2-OE1 3.32Å; S159-Q180 VanDerWaalsContact CA-OE1 3.25Å; A160-Q180 HydrophobicContact CB-CG 3.82Å
181	Y	98.5	Very high	96.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.			trans	-144.6	154.3	171.8	58.1	-86.5	0	0	0	110.2	C100 I150 H151 L155 L183 V205 I237	C100-Y181 PolarHBondContact SG-O 3.16Å; I150-Y181 HydrophobicContact CG2-CD1 4.33Å; I150-Y181 HydrophobicContact CG2-CE1 3.8Å; H151-Y181 AromaticContact CD2-CE1 3.73Å; H151-Y181 AromaticContact CE1-CE1 3.59Å; H151-Y181 AromaticContact CE1-CZ 3.71Å; H151-Y181 AromaticContact ND1-CE1 3.97Å; H151-Y181 AromaticContact NE2-CD1 3.82Å; H151-Y181 AromaticContact NE2-CE1 3.43Å; H151-Y181 WeakPolarHBondContact NE2-CE1 3.48Å; H151-Y181 PolarHBondContact O-OH 2.93Å; L155-Y181 HydrophobicContact CD2-CE2 4.49Å; Y181-L183 HydrophobicContact CD2-CD2 3.89Å; Y181-L183 HydrophobicContact CE2-CD2 3.41Å; Y181-L183 VanDerWaalsContact CE2-CD2 3.41Å; Y181-L183 PolarHBondContact O-N 2.9Å; Y181-V205 HydrophobicContact CD1-CG2 3.94Å; Y181-V205 HydrophobicContact CG-CG2 3.94Å; Y181-I237 HydrophobicContact CD2-CD1 4.4Å; Y181-I237 HydrophobicContact CE1-CD1 4.05Å; Y181-I237 HydrophobicContact CE2-CD1 3.68Å; Y181-I237 VanDerWaalsContact CZ-CD1 3.48Å; Y181-I237 WeakPolarHBondContact OH-CD1 3.25Å
182	R	98.1	Very high	96.4	Very high	5 Å²	5	8 Å²	8	2%	0.019	6%	0.056	C	C	.	.			trans	-60.5	139.1	178.8	-77.1	172.8	-76.1	-177.1	-7.2	111.1	P72 L76 R77 S79 L128 F186 G187 F188 G201 D204	P72-R182 HydrophobicContact CG-CG 4.35Å; L76-R182 PolarHBondContact O-NH1 3.23Å; R77-R182 PolarHBondContact O-NH1 3.49Å; S79-R182 PolarHBondContact O-NH1 3.47Å; S79-R182 PolarHBondContact O-NH2 3.3Å; L128-R182 HydrophobicContact CD2-CG 4.12Å; R182-F186 HydrophobicContact CB-CB 4.28Å; R182-F186 HydrophobicContact CG-CB 4.42Å; R182-G187 WeakPolarHBondContact O-CA 3.38Å; R182-F188 WeakPolarHBondContact O-CE2 3.3Å; R182-G201 WeakPolarHBondContact O-CA 3.49Å; R182-D204 VanDerWaalsContact CB-OD2 3.24Å; R182-D204 WeakPolarHBondContact CB-OD2 3.45Å; R182-D204 VanDerWaalsContact CG-OD2 3.32Å; R182-D204 WeakPolarHBondContact CG-OD2 3.27Å; R182-D204 IonicContact CZ-OD1 2.66Å; R182-D204 IonicContact CZ-OD2 3.42Å; R182-D204 PolarHBondContact N-OD2 2.89Å; R182-D204 IonicContact NE-OD1 3.41Å; R182-D204 PolarHBondContact NE-OD1 3.48Å; R182-D204 IonicContact NE-OD2 2.81Å; R182-D204 PolarHBondContact NE-OD2 2.97Å; R182-D204 IonicContact NH2-OD1 2.75Å; R182-D204 PolarHBondContact NH2-OD1 2.99Å; R182-D204 IonicContact NH2-OD2 2.9Å
183	L	95.6	Very high	96.2	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	7%	0.066	C	C	.	.			trans	-113	164.3	-176.5	-59.9	173.4	0	0	0	111.4	C100 Q102 L155 Y181 I185 F186 G187	C100-L183 HydrophobicContact CB-CD1 4.33Å; C100-L183 HydrophobicContact CB-CG 4.37Å; Q102-L183 HydrophobicContact CB-CD1 4.37Å; L155-L183 CarbonylContact O-C 3.52Å; L155-L183 VanDerWaalsContact O-CA 3.27Å; L155-L183 WeakPolarHBondContact O-CA 3.45Å; L155-L183 WeakPolarHBondContact O-CB 3.49Å; L155-L183 WeakPolarHBondContact O-CD2 3.22Å; Y181-L183 HydrophobicContact CD2-CD2 3.89Å; Y181-L183 HydrophobicContact CE2-CD2 3.41Å; Y181-L183 VanDerWaalsContact CE2-CD2 3.41Å; Y181-L183 PolarHBondContact O-N 2.9Å; L183-I185 PolarHBondContact O-N 3.02Å; L183-F186 WeakPolarHBondContact O-CB 3.4Å; L183-F186 PolarHBondContact O-N 3.25Å; L183-F186 VanDerWaalsContact O-N 3.13Å; L183-G187 PolarHBondContact O-N 3.2Å; L183-G187 VanDerWaalsContact O-N 3.11Å
184	G	93.6	Very high	96.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	50.8	-134.9	175.1	0	0	0	0	0	112.7	L155 F186 G187 F188	L155-G184 PolarHBondContact O-N 3.29Å; G184-F186 PolarHBondContact O-N 2.7Å; G184-G187 PolarHBondContact O-N 3.27Å; G184-G187 VanDerWaalsContact O-N 3.13Å; G184-F188 PolarHBondContact O-N 3.26Å
185	I	93.9	Very high	96	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-29.4	-178.9	64.4	90.6	0	0	0	113	F78 L183 G187 L189 F278 L304 Q307 I312	F78-I185 HydrophobicContact CE1-CD1 4.05Å; F78-I185 HydrophobicContact CZ-CD1 4.41Å; L183-I185 PolarHBondContact O-N 3.02Å; I185-G187 VanDerWaalsContact C-N 3.32Å; I185-L189 HydrophobicContact CB-CB 4.14Å; I185-L189 HydrophobicContact CB-CD2 4.43Å; I185-L189 WeakPolarHBondContact O-CB 3.44Å; I185-L189 PolarHBondContact O-N 3.08Å; I185-F278 HydrophobicContact CB-CE1 4.29Å; I185-F278 HydrophobicContact CB-CZ 4.21Å; I185-F278 HydrophobicContact CD1-CZ 4.41Å; I185-F278 HydrophobicContact CG1-CE1 4.44Å; I185-F278 HydrophobicContact CG1-CZ 4.07Å; I185-F278 HydrophobicContact CG2-CD2 4.34Å; I185-F278 HydrophobicContact CG2-CE1 4.15Å; I185-F278 HydrophobicContact CG2-CE2 3.95Å; I185-F278 HydrophobicContact CG2-CZ 3.84Å; I185-L304 HydrophobicContact CD1-CB 3.62Å; I185-L304 HydrophobicContact CD1-CD1 4.08Å; I185-L304 HydrophobicContact CD1-CG 4.36Å; I185-L304 HydrophobicContact CG1-CB 4.27Å; I185-Q307 HydrophobicContact CG2-CG 4.46Å; I185-I312 HydrophobicContact CG2-CD1 4.19Å
186	F	95.9	Very high	95.8	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.039	10%	0.096	C	C	.	.	H	α-helix	trans	-72.2	-32.5	-179.6	-58.6	-83	0	0	0	111.2	R77 L101 E125 R182 L183 G184 L304 N305	R77-F186 HydrophobicContact CG-CD1 3.82Å; R77-F186 HydrophobicContact CG-CE1 4.2Å; L101-F186 HydrophobicContact CB-CD2 4.18Å; L101-F186 HydrophobicContact CB-CE2 3.72Å; L101-F186 HydrophobicContact CB-CZ 4.22Å; L101-F186 HydrophobicContact CD1-CE1 4.17Å; L101-F186 HydrophobicContact CD1-CE2 3.89Å; L101-F186 HydrophobicContact CD1-CZ 3.5Å; L101-F186 HydrophobicContact CG-CE2 4.48Å; E125-F186 HydrophobicContact CG-CE1 4.2Å; R182-F186 HydrophobicContact CB-CB 4.28Å; R182-F186 HydrophobicContact CG-CB 4.42Å; L183-F186 WeakPolarHBondContact O-CB 3.4Å; L183-F186 PolarHBondContact O-N 3.25Å; L183-F186 VanDerWaalsContact O-N 3.13Å; G184-F186 PolarHBondContact O-N 2.7Å; F186-L304 HydrophobicContact CE1-CB 4.33Å; F186-L304 HydrophobicContact CE1-CD1 3.88Å; F186-L304 HydrophobicContact CZ-CB 3.84Å; F186-L304 HydrophobicContact CZ-CD1 4.23Å; F186-N305 HydrophobicContact CE2-CB 4.33Å
187	G	95.8	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-89.2	-31	-179.6	0	0	0	0	0	114.2	R182 L183 G184 I185 N199 R200 G201	R182-G187 WeakPolarHBondContact O-CA 3.38Å; L183-G187 PolarHBondContact O-N 3.2Å; L183-G187 VanDerWaalsContact O-N 3.11Å; G184-G187 PolarHBondContact O-N 3.27Å; G184-G187 VanDerWaalsContact O-N 3.13Å; I185-G187 VanDerWaalsContact C-N 3.32Å; G187-N199 CarbonylContact O-C 3.57Å; G187-R200 CarbonylContact O-C 3.57Å; G187-R200 VanDerWaalsContact O-CA 3.28Å; G187-R200 WeakPolarHBondContact O-CA 3.48Å; G187-R200 VanDerWaalsContact O-CB 3.28Å; G187-R200 WeakPolarHBondContact O-CB 3.38Å; G187-R200 PolarHBondContact O-N 3.47Å; G187-G201 PolarHBondContact O-N 3.49Å
188	F	94.3	Very high	95.2	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-140.6	-8.1	-158.1	-61.9	-80.8	0	0	0	115.3	L155 R182 G184 S190 L202 I312	L155-F188 HydrophobicContact CB-CD2 4.06Å; L155-F188 HydrophobicContact CB-CE2 3.83Å; L155-F188 HydrophobicContact CB-CZ 4.32Å; L155-F188 HydrophobicContact CD1-CD1 4.19Å; L155-F188 HydrophobicContact CD1-CD2 4.46Å; L155-F188 HydrophobicContact CD1-CE1 4.09Å; L155-F188 HydrophobicContact CD1-CE2 4.39Å; L155-F188 HydrophobicContact CD1-CG 4.39Å; L155-F188 HydrophobicContact CD1-CZ 4.24Å; L155-F188 HydrophobicContact CD2-CE1 4.03Å; L155-F188 HydrophobicContact CD2-CE2 3.9Å; L155-F188 HydrophobicContact CD2-CZ 3.53Å; L155-F188 HydrophobicContact CG-CE2 4.27Å; L155-F188 HydrophobicContact CG-CZ 4.26Å; R182-F188 WeakPolarHBondContact O-CE2 3.3Å; G184-F188 PolarHBondContact O-N 3.26Å; F188-S190 PolarHBondContact O-N 2.94Å; F188-L202 HydrophobicContact CE1-CD2 4.39Å; F188-L202 HydrophobicContact CE1-CG 4.07Å; F188-I312 HydrophobicContact CB-CG2 3.79Å; F188-I312 HydrophobicContact CD2-CG2 3.92Å; F188-I312 HydrophobicContact CG-CG2 4Å
189	L	94.2	Very high	95	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.037	11%	0.107	C	C	.	.			trans	-60.6	139.4	173.4	-168.5	68.7	0	0	0	109.9	I185 M196 A275 F278 L296 V310	I185-L189 HydrophobicContact CB-CB 4.14Å; I185-L189 HydrophobicContact CB-CD2 4.43Å; I185-L189 WeakPolarHBondContact O-CB 3.44Å; I185-L189 PolarHBondContact O-N 3.08Å; L189-M196 HydrophobicContact CB-CE 4.24Å; L189-M196 HydrophobicContact CB-SD 4.11Å; L189-M196 HydrophobicContact CD2-CE 3.58Å; L189-M196 HydrophobicContact CD2-SD 3.99Å; L189-M196 HydrophobicContact CG-CE 3.56Å; L189-M196 HydrophobicContact CG-SD 4.05Å; L189-M196 WeakPolarHBondContact O-CG 3.3Å; L189-A275 HydrophobicContact CD1-CB 4.31Å; L189-F278 HydrophobicContact CD1-CB 4.33Å; L189-F278 HydrophobicContact CD1-CD1 4.23Å; L189-F278 HydrophobicContact CD1-CG 4.47Å; L189-F278 HydrophobicContact CD2-CD1 3.54Å; L189-F278 HydrophobicContact CD2-CE1 3.88Å; L189-L296 HydrophobicContact CD2-CD1 3.84Å; L189-V310 HydrophobicContact CD1-CG1 4.18Å
190	S	94.6	Very high	95	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	11%	0.111	C	C	.	.			trans	-145.6	145.6	-179.4	-175.5	0	0	0	0	113	F188 G192 M196 G198 P271 A275 I315	F188-S190 PolarHBondContact O-N 2.94Å; S190-G192 PolarHBondContact OG-N 3.25Å; S190-M196 CarbonylContact C-O 3.54Å; S190-M196 WeakPolarHBondContact CA-O 3.45Å; S190-M196 WeakPolarHBondContact CB-O 3.27Å; S190-M196 PolarHBondContact OG-O 3.43Å; S190-G198 PolarHBondContact OG-N 2.95Å; S190-P271 CarbonylContact O-C 3.45Å; S190-P271 WeakPolarHBondContact O-CB 3.45Å; S190-A275 WeakPolarHBondContact O-CB 3.4Å; S190-I315 WeakPolarHBondContact OG-CD1 3.46Å
191	T	94.9	Very high	94.9	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.043	11%	0.111	C	C	.	.			trans	-92.3	-4.2	166.8	48.2	0	0	0	0	112.9	D193 M196 W272 A275 L292 V293	T191-D193 PolarHBondContact O-N 3.27Å; T191-D193 PolarHBondContact OG1-OD1 3.33Å; T191-M196 HydrophobicContact CG2-CB 4.15Å; T191-M196 HydrophobicContact CG2-CE 3.81Å; T191-M196 PolarHBondContact N-O 3.3Å; T191-M196 PolarHBondContact OG1-N 3.15Å; T191-M196 VanDerWaalsContact OG1-N 3.11Å; T191-M196 PolarHBondContact OG1-O 3.39Å; T191-W272 HydrophobicContact CG2-CE3 4.11Å; T191-W272 HydrophobicContact CG2-CZ3 3.88Å; T191-A275 HydrophobicContact CG2-CB 4.39Å; T191-L292 HydrophobicContact CG2-CD2 4.34Å; T191-V293 HydrophobicContact CG2-CG2 4.05Å
192	G	92.4	Very high	94.9	Very high	49 Å²	49	20.7 Å²	20.7	51%	0.505	11%	0.112	S	C	.	.	S	Bend	trans	73.3	8.6	-174.5	0	0	0	0	0	114.7	S190 P271	S190-G192 PolarHBondContact OG-N 3.25Å; G192-P271 VanDerWaalsContact CA-CG 3.43Å
193	D	93.4	Very high	94.9	Very high	56 Å²	56	21.2 Å²	21.2	30%	0.299	12%	0.115	S	C	.	.	S	Bend	trans	-135.6	-172.3	-178.9	70.9	14.1	0	0	0	112.1	T191 H195 M196 P197 S289	T191-D193 PolarHBondContact O-N 3.27Å; T191-D193 PolarHBondContact OG1-OD1 3.33Å; D193-H195 PolarHBondContact O-N 3.1Å; D193-H195 WeakPolarHBondContact OD1-CB 3.26Å; D193-H195 IonicContact OD1-CD2 2.63Å; D193-H195 IonicContact OD1-CG 3.12Å; D193-H195 PolarHBondContact OD1-N 2.87Å; D193-H195 IonicContact OD2-CD2 3.42Å; D193-M196 CarbonylContact O-C 3.55Å; D193-P197 WeakPolarHBondContact O-CA 3.31Å; D193-P197 WeakPolarHBondContact O-CD 3.39Å; D193-P197 WeakPolarHBondContact O-CG 3.44Å; D193-P197 VanDerWaalsContact O-N 3.15Å; D193-S289 WeakPolarHBondContact OD2-CB 3.46Å; D193-S289 PolarHBondContact OD2-OG 2.95Å
194	K	93.6	Very high	95.1	Very high	174 Å²	174	21.1 Å²	21.1	76%	0.757	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.7	-176.8	68.7	-177.8	-178.9	-179.2	0	115	P197	K194-P197 WeakPolarHBondContact O-CD 3.49Å
195	H	95	Very high	95.3	Very high	55 Å²	55	21.1 Å²	21.1	26%	0.255	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-36.1	-175	-62.9	-77	0	0	0	111.9	D193 S289 E290 V293	D193-H195 PolarHBondContact O-N 3.1Å; D193-H195 WeakPolarHBondContact OD1-CB 3.26Å; D193-H195 IonicContact OD1-CD2 2.63Å; D193-H195 IonicContact OD1-CG 3.12Å; D193-H195 PolarHBondContact OD1-N 2.87Å; D193-H195 IonicContact OD2-CD2 3.42Å; H195-S289 PolarHBondContact CD2-OG 3.2Å; H195-E290 IonicContact CE1-OE2 3.83Å; H195-V293 HydrophobicContact CB-CG2 4.25Å
196	M	94.7	Very high	95.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.115	C	C	.	.			trans	-144.6	77.5	168.9	-169.3	167.5	49.3	0	0	111.6	F78 L189 S190 T191 D193 G198 V293	F78-M196 HydrophobicContact CB-CG 4.06Å; F78-M196 HydrophobicContact CB-SD 3.93Å; F78-M196 HydrophobicContact CD1-SD 3.93Å; F78-M196 HydrophobicContact CD2-SD 4.18Å; F78-M196 HydrophobicContact CE1-SD 4.48Å; F78-M196 HydrophobicContact CG-SD 3.75Å; L189-M196 HydrophobicContact CB-CE 4.24Å; L189-M196 HydrophobicContact CB-SD 4.11Å; L189-M196 HydrophobicContact CD2-CE 3.58Å; L189-M196 HydrophobicContact CD2-SD 3.99Å; L189-M196 HydrophobicContact CG-CE 3.56Å; L189-M196 HydrophobicContact CG-SD 4.05Å; L189-M196 WeakPolarHBondContact O-CG 3.3Å; S190-M196 CarbonylContact C-O 3.54Å; S190-M196 WeakPolarHBondContact CA-O 3.45Å; S190-M196 WeakPolarHBondContact CB-O 3.27Å; S190-M196 PolarHBondContact OG-O 3.43Å; T191-M196 HydrophobicContact CG2-CB 4.15Å; T191-M196 HydrophobicContact CG2-CE 3.81Å; T191-M196 PolarHBondContact N-O 3.3Å; T191-M196 PolarHBondContact OG1-N 3.15Å; T191-M196 VanDerWaalsContact OG1-N 3.11Å; T191-M196 PolarHBondContact OG1-O 3.39Å; D193-M196 CarbonylContact O-C 3.55Å; M196-G198 PolarHBondContact O-N 3.12Å; M196-V293 HydrophobicContact CB-CG2 3.8Å; M196-V293 HydrophobicContact CE-CG2 4.1Å; M196-V293 HydrophobicContact SD-CG2 4.47Å
197	P	92.6	Very high	95.7	Very high	35 Å²	35	21.5 Å²	21.5	23%	0.227	12%	0.119	C	C	.	.			trans	-62	0.3	-178.3	-25	23.4	0	0	0	118.3	D193 K194 I315 N317	D193-P197 WeakPolarHBondContact O-CA 3.31Å; D193-P197 WeakPolarHBondContact O-CD 3.39Å; D193-P197 WeakPolarHBondContact O-CG 3.44Å; D193-P197 VanDerWaalsContact O-N 3.15Å; K194-P197 WeakPolarHBondContact O-CD 3.49Å; P197-I315 WeakPolarHBondContact O-CD1 3.2Å; P197-N317 PolarHBondContact O-ND2 3.46Å
198	G	92.6	Very high	95.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.			trans	67.6	-166.2	-178.3	0	0	0	0	0	115.5	S190 M196 R200	S190-G198 PolarHBondContact OG-N 2.95Å; M196-G198 PolarHBondContact O-N 3.12Å; G198-R200 WeakPolarHBondContact O-CD 3.35Å; G198-R200 PolarHBondContact O-N 3.04Å; G198-R200 VanDerWaalsContact O-N 3.1Å; G198-R200 PolarHBondContact O-NH1 3.2Å; G198-R200 VanDerWaalsContact O-NH1 3.08Å
199	N	95.3	Very high	96.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.			trans	52.7	28.2	177.8	-64.4	-17	0	0	0	115.2	G187 G201 L202 L203 Y314 I315 N317	G187-N199 CarbonylContact O-C 3.57Å; N199-G201 PolarHBondContact O-N 3.26Å; N199-L202 HydrophobicContact CB-CB 4.37Å; N199-L202 HydrophobicContact CB-CD1 4.07Å; N199-L202 HydrophobicContact CB-CG 4.44Å; N199-L202 PolarHBondContact O-N 2.97Å; N199-L203 WeakPolarHBondContact O-CG 3.49Å; N199-L203 PolarHBondContact O-N 3.34Å; N199-Y314 WeakPolarHBondContact OD1-CA 3.48Å; N199-I315 PolarHBondContact ND2-O 3.02Å; N199-I315 PolarHBondContact OD1-N 3.24Å; N199-N317 PolarHBondContact ND2-ND2 2.94Å
200	R	97	Very high	96.3	Very high	23 Å²	23	27.3 Å²	27.3	9%	0.087	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-42.8	-179.4	-55	-47.2	-178.4	-156.2	14.4	112.4	F78 G187 G198 L202 L203 D204	F78-R200 PolarHBondContact O-NE 3.22Å; F78-R200 PolarHBondContact O-NH2 2.83Å; F78-R200 VanDerWaalsContact O-NH2 3.1Å; G187-R200 CarbonylContact O-C 3.57Å; G187-R200 VanDerWaalsContact O-CA 3.28Å; G187-R200 WeakPolarHBondContact O-CA 3.48Å; G187-R200 VanDerWaalsContact O-CB 3.28Å; G187-R200 WeakPolarHBondContact O-CB 3.38Å; G187-R200 PolarHBondContact O-N 3.47Å; G198-R200 WeakPolarHBondContact O-CD 3.35Å; G198-R200 PolarHBondContact O-N 3.04Å; G198-R200 VanDerWaalsContact O-N 3.1Å; G198-R200 PolarHBondContact O-NH1 3.2Å; G198-R200 VanDerWaalsContact O-NH1 3.08Å; R200-L202 VanDerWaalsContact C-N 3.3Å; R200-L202 PolarHBondContact O-N 3.3Å; R200-L203 PolarHBondContact O-N 2.84Å; R200-D204 PolarHBondContact O-N 3.35Å
201	G	97.6	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-39	174.3	0	0	0	0	0	112.7	R182 G187 N199 D204 V205	R182-G201 WeakPolarHBondContact O-CA 3.49Å; G187-G201 PolarHBondContact O-N 3.49Å; N199-G201 PolarHBondContact O-N 3.26Å; G201-D204 WeakPolarHBondContact O-CB 3.41Å; G201-D204 PolarHBondContact O-N 3.41Å; G201-V205 PolarHBondContact O-N 2.98Å
202	L	97.8	Very high	96.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-42.1	175.6	-57.1	178.5	0	0	0	111.7	F188 N199 R200 D204 V205 V206 I237 F320 F321	F188-L202 HydrophobicContact CE1-CD2 4.39Å; F188-L202 HydrophobicContact CE1-CG 4.07Å; N199-L202 HydrophobicContact CB-CB 4.37Å; N199-L202 HydrophobicContact CB-CD1 4.07Å; N199-L202 HydrophobicContact CB-CG 4.44Å; N199-L202 PolarHBondContact O-N 2.97Å; R200-L202 VanDerWaalsContact C-N 3.3Å; R200-L202 PolarHBondContact O-N 3.3Å; L202-D204 VanDerWaalsContact C-N 3.28Å; L202-D204 PolarHBondContact O-N 2.92Å; L202-V205 PolarHBondContact O-N 3.16Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.13Å; L202-I237 HydrophobicContact CD2-CB 4.39Å; L202-I237 HydrophobicContact CD2-CD1 4.5Å; L202-I237 HydrophobicContact CD2-CG1 3.83Å; L202-I237 HydrophobicContact CD2-CG2 4.02Å; L202-F320 HydrophobicContact CB-CD2 4.1Å; L202-F320 HydrophobicContact CB-CE1 4.2Å; L202-F320 HydrophobicContact CB-CE2 3.7Å; L202-F320 HydrophobicContact CB-CZ 3.76Å; L202-F320 HydrophobicContact CD1-CD1 3.81Å; L202-F320 HydrophobicContact CD1-CE1 3.55Å; L202-F320 HydrophobicContact CD1-CG 4.45Å; L202-F320 HydrophobicContact CD1-CZ 3.95Å; L202-F320 HydrophobicContact CG-CE1 4.36Å; L202-F320 HydrophobicContact CG-CZ 4.28Å; L202-F321 HydrophobicContact CD1-CE2 4.08Å
203	L	98.4	Very high	96.9	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.079	13%	0.126	C	C	.	.	H	α-helix	trans	-65.9	-31.1	176.2	-65.9	177.6	0	0	0	112.5	A80 P81 N199 R200 V206 A207 M246 F320	A80-L203 HydrophobicContact CB-CD1 4.05Å; P81-L203 HydrophobicContact CG-CB 4.22Å; P81-L203 WeakPolarHBondContact CG-O 3.35Å; N199-L203 WeakPolarHBondContact O-CG 3.49Å; N199-L203 PolarHBondContact O-N 3.34Å; R200-L203 PolarHBondContact O-N 2.84Å; L203-V206 PolarHBondContact O-N 3.42Å; L203-A207 WeakPolarHBondContact O-CB 3.11Å; L203-A207 PolarHBondContact O-N 2.73Å; L203-M246 HydrophobicContact CD2-CE 3.43Å; L203-M246 VanDerWaalsContact CD2-CE 3.43Å; L203-M246 HydrophobicContact CD2-SD 3.53Å; L203-M246 VanDerWaalsContact CD2-SD 3.53Å; L203-F320 HydrophobicContact CD2-CD2 4.18Å
204	D	98.9	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-44	173.2	-63.1	-24.9	0	0	0	110.7	F68 P81 L128 R182 R200 G201 L202 V206 A207 A208	F68-D204 HydrophobicContact CE2-CB 4.32Å; F68-D204 WeakPolarHBondContact CE2-O 3.1Å; F68-D204 HydrophobicContact CZ-CB 4.28Å; P81-D204 WeakPolarHBondContact CB-OD1 3.44Å; P81-D204 WeakPolarHBondContact CG-OD1 3.38Å; L128-D204 HydrophobicContact CD2-CB 3.98Å; L128-D204 WeakPolarHBondContact CD2-OD2 3.34Å; R182-D204 VanDerWaalsContact CB-OD2 3.24Å; R182-D204 WeakPolarHBondContact CB-OD2 3.45Å; R182-D204 VanDerWaalsContact CG-OD2 3.32Å; R182-D204 WeakPolarHBondContact CG-OD2 3.27Å; R182-D204 IonicContact CZ-OD1 2.66Å; R182-D204 IonicContact CZ-OD2 3.42Å; R182-D204 PolarHBondContact N-OD2 2.89Å; R182-D204 IonicContact NE-OD1 3.41Å; R182-D204 PolarHBondContact NE-OD1 3.48Å; R182-D204 IonicContact NE-OD2 2.81Å; R182-D204 PolarHBondContact NE-OD2 2.97Å; R182-D204 IonicContact NH2-OD1 2.75Å; R182-D204 PolarHBondContact NH2-OD1 2.99Å; R182-D204 IonicContact NH2-OD2 2.9Å; R200-D204 PolarHBondContact O-N 3.35Å; G201-D204 WeakPolarHBondContact O-CB 3.41Å; G201-D204 PolarHBondContact O-N 3.41Å; L202-D204 VanDerWaalsContact C-N 3.28Å; L202-D204 PolarHBondContact O-N 2.92Å; D204-V206 PolarHBondContact O-N 3.41Å; D204-A207 WeakPolarHBondContact O-CB 3.18Å; D204-A207 PolarHBondContact O-N 3.46Å; D204-A207 VanDerWaalsContact O-N 3.17Å; D204-A208 PolarHBondContact O-N 3.37Å
205	V	98.8	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.2	-39.3	175.3	-175.6	0	0	0	0	111.2	I150 Y181 G201 L202 A207 A208 L209 I237 L241	I150-V205 HydrophobicContact CD1-CG1 3.75Å; I150-V205 HydrophobicContact CG1-CG1 3.94Å; Y181-V205 HydrophobicContact CD1-CG2 3.94Å; Y181-V205 HydrophobicContact CG-CG2 3.94Å; G201-V205 PolarHBondContact O-N 2.98Å; L202-V205 PolarHBondContact O-N 3.16Å; V205-A207 VanDerWaalsContact C-N 3.32Å; V205-A207 PolarHBondContact O-N 3.21Å; V205-A208 PolarHBondContact O-N 2.78Å; V205-L209 WeakPolarHBondContact O-CG 3.22Å; V205-L209 PolarHBondContact O-N 2.94Å; V205-I237 HydrophobicContact CG1-CG2 4.46Å; V205-I237 HydrophobicContact CG2-CG2 4.24Å; V205-L241 HydrophobicContact CG1-CD1 3.7Å
206	V	98.8	Very high	97.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-59.8	-42.2	172.1	174.3	0	0	0	0	111.4	L202 L203 D204 L209 R210 L241 M246 L250 F320	L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.13Å; L203-V206 PolarHBondContact O-N 3.42Å; D204-V206 PolarHBondContact O-N 3.41Å; V206-L209 PolarHBondContact O-N 3.28Å; V206-R210 WeakPolarHBondContact O-CG 3.23Å; V206-R210 PolarHBondContact O-N 2.9Å; V206-L241 HydrophobicContact CG2-CD2 3.68Å; V206-M246 HydrophobicContact CG1-CB 4.47Å; V206-M246 HydrophobicContact CG2-CB 4.49Å; V206-L250 HydrophobicContact CG1-CD1 4.06Å; V206-F320 HydrophobicContact CG2-CD2 4.31Å; V206-F320 HydrophobicContact CG2-CE2 3.76Å
207	A	98.9	Very high	97.5	Very high	16 Å²	16	19.2 Å²	19.2	13%	0.132	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-40.7	176.8	0	0	0	0	0	112	F68 P81 L203 D204 V205 L209 R210 W211	F68-A207 HydrophobicContact CD2-CB 4.14Å; F68-A207 HydrophobicContact CE2-CB 4.2Å; P81-A207 HydrophobicContact CB-CB 4.03Å; P81-A207 HydrophobicContact CG-CB 3.65Å; L203-A207 WeakPolarHBondContact O-CB 3.11Å; L203-A207 PolarHBondContact O-N 2.73Å; D204-A207 WeakPolarHBondContact O-CB 3.18Å; D204-A207 PolarHBondContact O-N 3.46Å; D204-A207 VanDerWaalsContact O-N 3.17Å; V205-A207 VanDerWaalsContact C-N 3.32Å; V205-A207 PolarHBondContact O-N 3.21Å; A207-L209 VanDerWaalsContact C-N 3.35Å; A207-L209 PolarHBondContact O-N 3.21Å; A207-R210 PolarHBondContact O-N 3.24Å; A207-W211 PolarHBondContact O-N 3.1Å
208	A	98.9	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-40.9	173.8	0	0	0	0	0	111.9	F68 V179 D204 V205 W211 V212	F68-A208 HydrophobicContact CB-CB 4.48Å; F68-A208 HydrophobicContact CD1-CB 3.98Å; F68-A208 HydrophobicContact CD2-CB 3.83Å; F68-A208 HydrophobicContact CE1-CB 4.1Å; F68-A208 HydrophobicContact CE2-CB 3.99Å; F68-A208 HydrophobicContact CG-CB 3.84Å; F68-A208 HydrophobicContact CZ-CB 4.12Å; V179-A208 HydrophobicContact CB-CB 4.36Å; V179-A208 HydrophobicContact CG1-CB 3.45Å; V179-A208 VanDerWaalsContact CG1-CB 3.45Å; V179-A208 HydrophobicContact CG2-CB 3.91Å; D204-A208 PolarHBondContact O-N 3.37Å; V205-A208 PolarHBondContact O-N 2.78Å; A208-W211 VanDerWaalsContact O-CB 3.32Å; A208-W211 WeakPolarHBondContact O-CB 3.29Å; A208-W211 PolarHBondContact O-N 3.33Å; A208-V212 WeakPolarHBondContact O-CG2 3.43Å; A208-V212 PolarHBondContact O-N 2.97Å
209	L	98.9	Very high	97.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-39.3	175.5	-67.8	174.5	0	0	0	112.4	V148 V205 V206 A207 W211 V212 Q213 I228 L241 L250 F251	V148-L209 HydrophobicContact CB-CD2 4.25Å; V148-L209 HydrophobicContact CG1-CD2 4.01Å; V148-L209 HydrophobicContact CG2-CD2 4.21Å; V205-L209 WeakPolarHBondContact O-CG 3.22Å; V205-L209 PolarHBondContact O-N 2.94Å; V206-L209 PolarHBondContact O-N 3.28Å; A207-L209 VanDerWaalsContact C-N 3.35Å; A207-L209 PolarHBondContact O-N 3.21Å; L209-W211 VanDerWaalsContact C-N 3.27Å; L209-W211 PolarHBondContact O-N 3.02Å; L209-V212 PolarHBondContact O-N 2.85Å; L209-Q213 WeakPolarHBondContact O-CG 3.24Å; L209-Q213 PolarHBondContact O-N 2.81Å; L209-I228 HydrophobicContact CD1-CG2 4.19Å; L209-I228 HydrophobicContact CD2-CG2 3.61Å; L209-L241 HydrophobicContact CD1-CD1 4.14Å; L209-L241 HydrophobicContact CD1-CD2 4.32Å; L209-L250 HydrophobicContact CB-CB 4Å; L209-L250 HydrophobicContact CB-CD1 3.86Å; L209-L250 HydrophobicContact CD1-CB 4.45Å; L209-F251 HydrophobicContact CD1-CD1 4.26Å
210	R	98.8	Very high	97.7	Very high	133 Å²	133	20.1 Å²	20.1	50%	0.502	12%	0.117	S	C	.	.	H	α-helix	trans	-62.3	-37.4	171.2	-71.1	175.6	-175.8	163.7	2.5	111.7	V206 A207 Q213 G214 M246 L250	V206-R210 WeakPolarHBondContact O-CG 3.23Å; V206-R210 PolarHBondContact O-N 2.9Å; A207-R210 PolarHBondContact O-N 3.24Å; R210-Q213 PolarHBondContact O-N 3.37Å; R210-G214 PolarHBondContact O-N 3.21Å; R210-G214 VanDerWaalsContact O-N 3.12Å; R210-M246 PolarHBondContact NH2-O 3.37Å; R210-L250 HydrophobicContact CG-CD1 3.83Å; R210-L250 HydrophobicContact CG-CD2 3.92Å
211	W	98.7	Very high	97.8	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-46.5	173.5	-173.9	97.5	0	0	0	111.3	L43 I66 F68 L130 I132 A207 A208 L209 Q213 G214 N215 F219	L43-W211 VanDerWaalsContact CD1-NE1 3.25Å; I66-W211 HydrophobicContact CG2-CH2 4.15Å; I66-W211 HydrophobicContact CG2-CZ2 3.58Å; F68-W211 HydrophobicContact CB-CB 3.73Å; F68-W211 HydrophobicContact CB-CD2 4.37Å; F68-W211 HydrophobicContact CB-CG 3.7Å; L130-W211 HydrophobicContact CD1-CE3 4.13Å; L130-W211 HydrophobicContact CD1-CH2 4.08Å; L130-W211 HydrophobicContact CD1-CZ3 3.78Å; L130-W211 HydrophobicContact CD2-CD2 3.94Å; L130-W211 HydrophobicContact CD2-CE3 3.52Å; L130-W211 HydrophobicContact CD2-CG 4.43Å; L130-W211 HydrophobicContact CD2-CZ3 4.04Å; L130-W211 HydrophobicContact CG-CE3 4.4Å; I132-W211 HydrophobicContact CD1-CH2 3.67Å; I132-W211 HydrophobicContact CD1-CZ3 3.78Å; A207-W211 PolarHBondContact O-N 3.1Å; A208-W211 VanDerWaalsContact O-CB 3.32Å; A208-W211 WeakPolarHBondContact O-CB 3.29Å; A208-W211 PolarHBondContact O-N 3.33Å; L209-W211 VanDerWaalsContact C-N 3.27Å; L209-W211 PolarHBondContact O-N 3.02Å; W211-Q213 VanDerWaalsContact C-N 3.33Å; W211-Q213 PolarHBondContact O-N 3.28Å; W211-G214 PolarHBondContact O-N 2.62Å; W211-G214 VanDerWaalsContact O-N 3.11Å; W211-N215 HydrophobicContact CD2-CB 3.85Å; W211-N215 HydrophobicContact CE3-CB 4Å; W211-N215 HydrophobicContact CH2-CB 3.7Å; W211-N215 HydrophobicContact CZ2-CB 3.54Å; W211-N215 HydrophobicContact CZ3-CB 3.92Å; W211-N215 VanDerWaalsContact O-CB 3.3Å; W211-N215 WeakPolarHBondContact O-CB 3.42Å; W211-N215 PolarHBondContact O-N 3.12Å; W211-N215 PolarHBondContact O-ND2 2.84Å; W211-F219 AromaticContact CH2-CE2 3.82Å; W211-F219 HydrophobicContact CH2-CE2 3.82Å; W211-F219 HydrophobicContact CH2-CZ 4.41Å
212	V	98.7	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.5	-48.4	176.2	168	0	0	0	0	110.2	V146 V148 V177 A208 L209 G214 N215 I216 V226	V146-V212 HydrophobicContact CG1-CG1 4.06Å; V148-V212 HydrophobicContact CG2-CG1 4.37Å; V148-V212 HydrophobicContact CG2-CG2 4.23Å; V177-V212 HydrophobicContact CG1-CG2 4.28Å; V177-V212 HydrophobicContact CG2-CG2 4.49Å; A208-V212 WeakPolarHBondContact O-CG2 3.43Å; A208-V212 PolarHBondContact O-N 2.97Å; L209-V212 PolarHBondContact O-N 2.85Å; V212-G214 VanDerWaalsContact C-N 3.27Å; V212-G214 PolarHBondContact O-N 3.45Å; V212-N215 PolarHBondContact O-N 3.24Å; V212-I216 HydrophobicContact CG1-CB 3.99Å; V212-I216 HydrophobicContact CG1-CG1 4.28Å; V212-I216 HydrophobicContact CG1-CG2 4.12Å; V212-I216 VanDerWaalsContact O-CB 3.22Å; V212-I216 WeakPolarHBondContact O-CB 3.5Å; V212-I216 WeakPolarHBondContact O-CG2 3.37Å; V212-I216 PolarHBondContact O-N 3.15Å; V212-V226 HydrophobicContact CG1-CG2 4.06Å
213	Q	98.4	Very high	97.8	Very high	52 Å²	52	21.5 Å²	21.5	24%	0.243	13%	0.128	C	C	.	.	H	α-helix	trans	-54.8	-41.1	176.4	-73.6	-62.6	-33	0	0	112.9	L209 R210 W211 P223 L250	L209-Q213 WeakPolarHBondContact O-CG 3.24Å; L209-Q213 PolarHBondContact O-N 2.81Å; R210-Q213 PolarHBondContact O-N 3.37Å; W211-Q213 VanDerWaalsContact C-N 3.33Å; W211-Q213 PolarHBondContact O-N 3.28Å; Q213-P223 PolarHBondContact NE2-O 2.84Å; Q213-P223 PolarHBondContact OE1-O 3.29Å; Q213-L250 HydrophobicContact CG-CD2 3.93Å; Q213-L250 PolarHBondContact NE2-O 3.27Å
214	G	96.8	Very high	97.8	Very high	51 Å²	51	25.7 Å²	25.7	53%	0.526	15%	0.151	S	C	.	.	H	α-helix	trans	-85.7	-19.4	-178.1	0	0	0	0	0	115.9	R210 W211 V212	R210-G214 PolarHBondContact O-N 3.21Å; R210-G214 VanDerWaalsContact O-N 3.12Å; W211-G214 PolarHBondContact O-N 2.62Å; W211-G214 VanDerWaalsContact O-N 3.11Å; V212-G214 VanDerWaalsContact C-N 3.27Å; V212-G214 PolarHBondContact O-N 3.45Å
215	N	97.3	Very high	97.8	Very high	16 Å²	16	26.4 Å²	26.4	9%	0.086	16%	0.156	C	C	.	.	H	α-helix	trans	-137.2	-3.1	-162.6	-58.5	-87.8	0	0	0	115.4	P42 W211 V212 P218 F219	P42-N215 WeakPolarHBondContact CD-OD1 3.42Å; W211-N215 HydrophobicContact CD2-CB 3.85Å; W211-N215 HydrophobicContact CE3-CB 4Å; W211-N215 HydrophobicContact CH2-CB 3.7Å; W211-N215 HydrophobicContact CZ2-CB 3.54Å; W211-N215 HydrophobicContact CZ3-CB 3.92Å; W211-N215 VanDerWaalsContact O-CB 3.3Å; W211-N215 WeakPolarHBondContact O-CB 3.42Å; W211-N215 PolarHBondContact O-N 3.12Å; W211-N215 PolarHBondContact O-ND2 2.84Å; V212-N215 PolarHBondContact O-N 3.24Å; N215-P218 WeakPolarHBondContact O-CD 3.29Å; N215-F219 VanDerWaalsContact O-CD2 3.3Å; N215-F219 WeakPolarHBondContact O-CD2 3.13Å; N215-F219 WeakPolarHBondContact O-CE2 3.46Å
216	I	97.7	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-78.4	-23.1	-175.8	-156.3	62.4	0	0	0	113.9	I132 V146 V175 V177 V212 F219 G221 P223	I132-I216 HydrophobicContact CD1-CD1 4.12Å; I132-I216 HydrophobicContact CG2-CD1 4.49Å; V146-I216 HydrophobicContact CG1-CD1 4.41Å; V146-I216 HydrophobicContact CG1-CG1 4Å; V146-I216 HydrophobicContact CG2-CG1 3.75Å; V146-I216 HydrophobicContact CG2-CG2 4.05Å; V175-I216 HydrophobicContact CG1-CD1 3.87Å; V175-I216 HydrophobicContact CG1-CG1 4.22Å; V177-I216 HydrophobicContact CG2-CD1 3.7Å; V212-I216 HydrophobicContact CG1-CB 3.99Å; V212-I216 HydrophobicContact CG1-CG1 4.28Å; V212-I216 HydrophobicContact CG1-CG2 4.12Å; V212-I216 VanDerWaalsContact O-CB 3.22Å; V212-I216 WeakPolarHBondContact O-CB 3.5Å; V212-I216 WeakPolarHBondContact O-CG2 3.37Å; V212-I216 PolarHBondContact O-N 3.15Å; I216-F219 HydrophobicContact CD1-CB 4.41Å; I216-F219 CarbonylContact O-C 3.56Å; I216-F219 WeakPolarHBondContact O-CA 3.42Å; I216-F219 WeakPolarHBondContact O-CB 3.17Å; I216-F219 PolarHBondContact O-N 2.82Å; I216-G221 PolarHBondContact O-N 3.24Å; I216-P223 HydrophobicContact CG2-CB 4.27Å
217	A	96.2	Very high	97.8	Very high	50 Å²	50	26.4 Å²	26.4	41%	0.413	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-60.5	-40.5	-175	0	0	0	0	0	114.7	F219 G220 G221	A217-F219 PolarHBondContact O-N 3.36Å; A217-G220 PolarHBondContact O-N 2.62Å; A217-G221 WeakPolarHBondContact CA-O 3.43Å
218	P	94.9	Very high	97.8	Very high	44 Å²	44	25.6 Å²	25.6	29%	0.286	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-59.2	-24.6	171	-27.7	36.2	0	0	0	114.9	V39 D40 N215 G220	V39-P218 HydrophobicContact CG1-CB 3.49Å; V39-P218 VanDerWaalsContact CG1-CB 3.49Å; D40-P218 VanDerWaalsContact O-CB 3.24Å; D40-P218 WeakPolarHBondContact O-CB 3.4Å; D40-P218 WeakPolarHBondContact O-CG 3.41Å; N215-P218 WeakPolarHBondContact O-CD 3.29Å; P218-G220 VanDerWaalsContact C-N 3.25Å
219	F	95.8	Very high	97.8	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.031	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-88.6	10.8	174	-55.7	-90.1	0	0	0	112.3	V39 T41 V46 F63 I66 I132 S134 W211 N215 I216 A217 G221	V39-F219 HydrophobicContact CB-CD1 4.39Å; V39-F219 HydrophobicContact CB-CE1 4Å; V39-F219 HydrophobicContact CB-CZ 4.38Å; V39-F219 HydrophobicContact CG1-CD1 4.1Å; V39-F219 HydrophobicContact CG1-CD2 4.44Å; V39-F219 HydrophobicContact CG1-CE1 3.9Å; V39-F219 HydrophobicContact CG1-CE2 4.25Å; V39-F219 HydrophobicContact CG1-CG 4.36Å; V39-F219 HydrophobicContact CG1-CZ 3.98Å; V39-F219 HydrophobicContact CG2-CD1 4.17Å; V39-F219 HydrophobicContact CG2-CE1 4.17Å; T41-F219 HydrophobicContact CG2-CE2 3.68Å; T41-F219 HydrophobicContact CG2-CZ 3.67Å; V46-F219 HydrophobicContact CG2-CZ 4.5Å; F63-F219 HydrophobicContact CD1-CE1 4.17Å; F63-F219 AromaticContact CD2-CD1 3.81Å; F63-F219 HydrophobicContact CD2-CD1 3.81Å; F63-F219 AromaticContact CD2-CE1 3.79Å; F63-F219 HydrophobicContact CD2-CE1 3.79Å; F63-F219 HydrophobicContact CE1-CE1 4.33Å; F63-F219 AromaticContact CE2-CD1 3.77Å; F63-F219 HydrophobicContact CE2-CD1 3.77Å; F63-F219 AromaticContact CE2-CE1 3.97Å; F63-F219 HydrophobicContact CE2-CE1 3.97Å; F63-F219 HydrophobicContact CG-CD1 4.41Å; F63-F219 AromaticContact CG-CE1 3.91Å; F63-F219 HydrophobicContact CG-CE1 3.91Å; F63-F219 HydrophobicContact CZ-CD1 4.33Å; F63-F219 HydrophobicContact CZ-CE1 4.25Å; I66-F219 HydrophobicContact CD1-CE1 4.17Å; I66-F219 HydrophobicContact CD1-CZ 3.91Å; I132-F219 HydrophobicContact CB-CD1 4.49Å; I132-F219 HydrophobicContact CD1-CD1 3.92Å; I132-F219 HydrophobicContact CD1-CD2 3.78Å; I132-F219 HydrophobicContact CD1-CE1 3.88Å; I132-F219 HydrophobicContact CD1-CE2 3.74Å; I132-F219 HydrophobicContact CD1-CG 3.88Å; I132-F219 HydrophobicContact CD1-CZ 3.79Å; I132-F219 HydrophobicContact CG2-CB 4.1Å; I132-F219 HydrophobicContact CG2-CD1 4Å; I132-F219 HydrophobicContact CG2-CG 4.11Å; S134-F219 PolarHBondContact OG-O 3.48Å; W211-F219 AromaticContact CH2-CE2 3.82Å; W211-F219 HydrophobicContact CH2-CE2 3.82Å; W211-F219 HydrophobicContact CH2-CZ 4.41Å; N215-F219 VanDerWaalsContact O-CD2 3.3Å; N215-F219 WeakPolarHBondContact O-CD2 3.13Å; N215-F219 WeakPolarHBondContact O-CE2 3.46Å; I216-F219 HydrophobicContact CD1-CB 4.41Å; I216-F219 CarbonylContact O-C 3.56Å; I216-F219 WeakPolarHBondContact O-CA 3.42Å; I216-F219 WeakPolarHBondContact O-CB 3.17Å; I216-F219 PolarHBondContact O-N 2.82Å; A217-F219 PolarHBondContact O-N 3.36Å; F219-G221 VanDerWaalsContact C-N 3.33Å; F219-G221 PolarHBondContact O-N 2.84Å
220	G	95.6	Very high	97.8	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-4	177.4	0	0	0	0	0	115.7	R143 L144 A217 P218	R143-G220 WeakPolarHBondContact CA-O 3.37Å; R143-G220 PolarHBondContact N-O 3.26Å; R143-G220 VanDerWaalsContact N-O 3.08Å; L144-G220 PolarHBondContact N-O 2.88Å; A217-G220 PolarHBondContact O-N 2.62Å; P218-G220 VanDerWaalsContact C-N 3.25Å
221	G	97.4	Very high	97.6	Very high	2 Å²	2	20 Å²	20	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	152.9	-179.4	0	0	0	0	0	113.9	L144 I216 A217 F219	L144-G221 CarbonylContact O-C 3.51Å; L144-G221 WeakPolarHBondContact O-CA 3.45Å; I216-G221 PolarHBondContact O-N 3.24Å; A217-G221 WeakPolarHBondContact CA-O 3.43Å; F219-G221 VanDerWaalsContact C-N 3.33Å; F219-G221 PolarHBondContact O-N 2.84Å
222	D	97.9	Very high	97.5	Very high	28 Å²	28	20.2 Å²	20.2	15%	0.15	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.5	171.7	-169.6	-4.2	0	0	0	110.9	R143 L144 N224 C225	R143-D222 HydrophobicContact CB-CB 3.85Å; L144-D222 PolarHBondContact O-N 2.91Å; D222-N224 PolarHBondContact O-N 2.69Å; D222-N224 VanDerWaalsContact O-N 3.12Å; D222-N224 WeakPolarHBondContact OD1-CB 3.37Å; D222-N224 PolarHBondContact OD1-N 2.97Å; D222-N224 PolarHBondContact OD1-ND2 2.85Å; D222-C225 HydrophobicContact CB-CB 3.92Å; D222-C225 PolarHBondContact O-N 3.47Å
223	P	97.8	Very high	97.3	Very high	26 Å²	26	20.6 Å²	20.6	17%	0.169	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-18.9	174.2	26.6	-34.3	0	0	0	112.8	Q213 I216 C225 V226 H252	Q213-P223 PolarHBondContact NE2-O 2.84Å; Q213-P223 PolarHBondContact OE1-O 3.29Å; I216-P223 HydrophobicContact CG2-CB 4.27Å; P223-C225 VanDerWaalsContact C-N 3.34Å; P223-V226 WeakPolarHBondContact O-CG2 3.3Å; P223-H252 PolarHBondContact O-CE1 3.47Å
224	N	98.2	Very high	97.3	Very high	104 Å²	104	18.1 Å²	18.1	56%	0.556	12%	0.122	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	5.9	176.6	-49.5	-74	0	0	0	113.5	D222 H252	D222-N224 PolarHBondContact O-N 2.69Å; D222-N224 VanDerWaalsContact O-N 3.12Å; D222-N224 WeakPolarHBondContact OD1-CB 3.37Å; D222-N224 PolarHBondContact OD1-N 2.97Å; D222-N224 PolarHBondContact OD1-ND2 2.85Å; N224-H252 VanDerWaalsContact CA-CE1 3.46Å; N224-H252 WeakPolarHBondContact CA-CE1 3.32Å; N224-H252 PolarHBondContact O-CD2 3.25Å; N224-H252 PolarHBondContact O-CE1 3.2Å; N224-H252 PolarHBondContact O-NE2 3.2Å
225	C	98.6	Very high	97.4	Very high	15 Å²	15	15.7 Å²	15.7	10%	0.101	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	52.3	180	-157.8	0	0	0	0	111.2	P145 V146 D222 P223 R253 A504	P145-C225 WeakPolarHBondContact CA-O 3.19Å; V146-C225 PolarHBondContact N-O 3.48Å; D222-C225 HydrophobicContact CB-CB 3.92Å; D222-C225 PolarHBondContact O-N 3.47Å; P223-C225 VanDerWaalsContact C-N 3.34Å; C225-R253 PolarHBondContact SG-NH1 2.75Å; C225-A504 PolarHBondContact SG-O 3.21Å
226	V	98.9	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.9	-178.7	178.7	0	0	0	0	111.1	V146 V148 V212 P223 F251 H252 R253	V146-V226 HydrophobicContact CB-CG2 4.12Å; V146-V226 HydrophobicContact CG2-CG2 4.49Å; V146-V226 CarbonylContact O-C 3.47Å; V146-V226 WeakPolarHBondContact O-CA 3.34Å; V148-V226 HydrophobicContact CG2-CG1 3.85Å; V212-V226 HydrophobicContact CG1-CG2 4.06Å; P223-V226 WeakPolarHBondContact O-CG2 3.3Å; V226-F251 HydrophobicContact CB-CB 4.33Å; V226-F251 HydrophobicContact CG1-CB 4.01Å; V226-H252 PolarHBondContact N-ND1 3.2Å; V226-H252 PolarHBondContact O-N 3.49Å; V226-R253 PolarHBondContact O-N 2.85Å
227	T	98.9	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124	173.2	-57.1	0	0	0	0	109.1	V146 M147 V148 R253 I255 F503 A504	V146-T227 PolarHBondContact O-N 3.05Å; M147-T227 CarbonylContact C-O 3.54Å; M147-T227 WeakPolarHBondContact CA-O 3.47Å; V148-T227 PolarHBondContact N-O 3.33Å; T227-R253 WeakPolarHBondContact CA-O 3.3Å; T227-R253 HydrophobicContact CG2-CB 3.9Å; T227-I255 HydrophobicContact CG2-CD1 3.98Å; T227-I255 HydrophobicContact CG2-CG1 3.99Å; T227-F503 HydrophobicContact CG2-CD1 4.44Å; T227-F503 HydrophobicContact CG2-CE1 4.44Å; T227-A504 HydrophobicContact CG2-CB 4.41Å; T227-A504 VanDerWaalsContact OG1-CA 3.31Å; T227-A504 WeakPolarHBondContact OG1-CA 3.38Å; T227-A504 WeakPolarHBondContact OG1-CB 3.48Å
228	I	98.9	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137	171.9	55.5	170.8	0	0	0	109.6	V148 L209 V238 L241 F251 R253 A254 I255	V148-I228 HydrophobicContact CB-CG2 4.32Å; V148-I228 WeakPolarHBondContact O-CA 3.39Å; L209-I228 HydrophobicContact CD1-CG2 4.19Å; L209-I228 HydrophobicContact CD2-CG2 3.61Å; I228-V238 HydrophobicContact CB-CG2 4.36Å; I228-V238 HydrophobicContact CD1-CB 4.37Å; I228-V238 HydrophobicContact CD1-CG1 3.89Å; I228-V238 HydrophobicContact CD1-CG2 4.43Å; I228-V238 HydrophobicContact CG1-CG1 3.96Å; I228-V238 HydrophobicContact CG1-CG2 4.4Å; I228-L241 HydrophobicContact CD1-CB 3.92Å; I228-L241 HydrophobicContact CD1-CD1 4Å; I228-F251 HydrophobicContact CD1-CD1 3.85Å; I228-F251 HydrophobicContact CD1-CD2 3.89Å; I228-F251 HydrophobicContact CD1-CE1 3.81Å; I228-F251 HydrophobicContact CD1-CE2 3.87Å; I228-F251 HydrophobicContact CD1-CG 3.9Å; I228-F251 HydrophobicContact CD1-CZ 3.83Å; I228-F251 HydrophobicContact CG1-CB 4.45Å; I228-F251 HydrophobicContact CG1-CD1 4.39Å; I228-F251 HydrophobicContact CG1-CD2 3.89Å; I228-F251 HydrophobicContact CG1-CE2 4.28Å; I228-F251 HydrophobicContact CG1-CG 3.97Å; I228-F251 HydrophobicContact CG2-CB 3.94Å; I228-F251 HydrophobicContact CG2-CD1 4.31Å; I228-F251 HydrophobicContact CG2-CG 4.11Å; I228-R253 PolarHBondContact N-O 3.46Å; I228-A254 HydrophobicContact CD1-CB 4.48Å; I228-A254 HydrophobicContact CG1-CB 4.08Å; I228-A254 CarbonylContact O-C 3.48Å; I228-A254 WeakPolarHBondContact O-CA 3.33Å; I228-I255 PolarHBondContact O-N 3.12Å
229	F	98.9	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.5	178	74.4	-56.2	0	0	0	112.2	M147 V148 W149 I150 L168 I255 I467 F468	M147-F229 HydrophobicContact CB-CD1 4.2Å; M147-F229 HydrophobicContact CB-CE1 3.78Å; M147-F229 HydrophobicContact CB-CZ 4.45Å; M147-F229 HydrophobicContact CE-CD1 4.34Å; M147-F229 HydrophobicContact CE-CD2 4.37Å; M147-F229 HydrophobicContact CE-CE1 4.38Å; M147-F229 HydrophobicContact CE-CE2 4.4Å; M147-F229 HydrophobicContact CE-CG 4.36Å; M147-F229 HydrophobicContact CE-CZ 4.41Å; V148-F229 VanDerWaalsContact O-CD1 3.32Å; V148-F229 WeakPolarHBondContact O-CD1 3.37Å; V148-F229 PolarHBondContact O-N 2.75Å; W149-F229 CarbonylContact C-O 2.93Å; W149-F229 VanDerWaalsContact CA-O 3.29Å; W149-F229 WeakPolarHBondContact CA-O 3.37Å; W149-F229 HydrophobicContact CB-CD1 4.24Å; W149-F229 HydrophobicContact CB-CE1 3.57Å; W149-F229 HydrophobicContact CB-CZ 3.78Å; W149-F229 HydrophobicContact CD2-CE2 4.29Å; W149-F229 HydrophobicContact CD2-CZ 4.31Å; W149-F229 HydrophobicContact CE3-CD1 4.14Å; W149-F229 AromaticContact CE3-CD2 3.39Å; W149-F229 HydrophobicContact CE3-CD2 3.39Å; W149-F229 HydrophobicContact CE3-CE1 4.12Å; W149-F229 AromaticContact CE3-CE2 3.37Å; W149-F229 HydrophobicContact CE3-CE2 3.37Å; W149-F229 AromaticContact CE3-CG 3.77Å; W149-F229 HydrophobicContact CE3-CG 3.77Å; W149-F229 AromaticContact CE3-CZ 3.75Å; W149-F229 HydrophobicContact CE3-CZ 3.75Å; W149-F229 VanDerWaalsContact CE3-O 3.31Å; W149-F229 HydrophobicContact CG-CZ 4.37Å; W149-F229 AromaticContact CZ3-CD2 3.64Å; W149-F229 HydrophobicContact CZ3-CD2 3.64Å; W149-F229 AromaticContact CZ3-CE2 3.82Å; W149-F229 HydrophobicContact CZ3-CE2 3.82Å; W149-F229 HydrophobicContact CZ3-CG 4.3Å; I150-F229 PolarHBondContact N-O 2.7Å; L168-F229 HydrophobicContact CD2-CE2 4.38Å; L168-F229 HydrophobicContact CD2-CZ 4.12Å; F229-I255 VanDerWaalsContact CA-O 3.3Å; F229-I255 WeakPolarHBondContact CA-O 3.4Å; F229-I255 HydrophobicContact CB-CB 3.62Å; F229-I255 HydrophobicContact CB-CD1 4.09Å; F229-I255 HydrophobicContact CB-CG1 4.15Å; F229-I255 HydrophobicContact CB-CG2 4.39Å; F229-I467 HydrophobicContact CE2-CG2 4.31Å; F229-F468 HydrophobicContact CE2-CE2 4.08Å; F229-F468 AromaticContact CE2-CZ 3.84Å; F229-F468 HydrophobicContact CE2-CZ 3.84Å; F229-F468 HydrophobicContact CZ-CE1 4.29Å; F229-F468 HydrophobicContact CZ-CE2 4.49Å; F229-F468 AromaticContact CZ-CZ 3.8Å; F229-F468 HydrophobicContact CZ-CZ 3.8Å
230	G	98.6	Very high	97.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	153.7	-176.7	0	0	0	0	0	112.7	W149 I150 G235 I255 Q257	W149-G230 VanDerWaalsContact CZ3-CA 3.41Å; I150-G230 VanDerWaalsContact O-CA 3.24Å; I150-G230 WeakPolarHBondContact O-CA 3.42Å; G230-G235 VanDerWaalsContact C-N 3.33Å; G230-G235 WeakPolarHBondContact O-CA 3.37Å; G230-G235 PolarHBondContact O-N 2.67Å; G230-I255 PolarHBondContact N-O 3.2Å; G230-Q257 WeakPolarHBondContact O-CB 3.48Å; G230-Q257 PolarHBondContact O-N 2.96Å
231	N	96.6	Very high	97.9	Very high	17 Å²	17	10.6 Å²	10.6	9%	0.091	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.8	175.3	170.3	-89.6	0	0	0	111.7	W149 G152 V233 G234 G235 Q257 E463	W149-N231 HydrophobicContact CH2-CB 3.47Å; W149-N231 VanDerWaalsContact CH2-CB 3.47Å; W149-N231 VanDerWaalsContact CH2-N 3.31Å; W149-N231 HydrophobicContact CZ2-CB 4.12Å; W149-N231 HydrophobicContact CZ3-CB 4.39Å; G152-N231 WeakPolarHBondContact CA-O 3.42Å; N231-V233 PolarHBondContact O-N 2.8Å; N231-G234 WeakPolarHBondContact O-CA 3.32Å; N231-G234 PolarHBondContact O-N 3.14Å; N231-G235 PolarHBondContact O-N 2.93Å; N231-Q257 CarbonylContact C-O 3.59Å; N231-Q257 VanDerWaalsContact CA-O 3.26Å; N231-Q257 WeakPolarHBondContact CA-O 3.35Å; N231-Q257 HydrophobicContact CB-CB 4.17Å; N231-E463 PolarHBondContact ND2-OE1 2.91Å
232	S	96.1	Very high	97.9	Very high	11 Å²	11	10.6 Å²	10.6	8%	0.077	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-129	177.3	-166.2	0	0	0	0	110.8	G234 G235 M236 Q257 S258 H460	S232-G234 PolarHBondContact O-N 3.36Å; S232-G235 CarbonylContact O-C 3.56Å; S232-G235 WeakPolarHBondContact O-CA 3.3Å; S232-G235 PolarHBondContact O-N 3.5Å; S232-M236 PolarHBondContact O-N 3.28Å; S232-Q257 PolarHBondContact N-O 3.08Å; S232-S258 WeakPolarHBondContact CA-O 3.1Å; S232-H460 WeakPolarHBondContact CB-NE2 3.48Å; S232-H460 PolarHBondContact OG-NE2 3.09Å
233	V	94.9	Very high	97.9	Very high	7 Å²	7	9.3 Å²	9.3	4%	0.042	5%	0.053	C	C	.	.	H	α-helix	trans	-54.6	-30.5	169.7	167.6	0	0	0	0	113.3	L155 N231 G235 M236 I237 L266	L155-V233 HydrophobicContact CD2-CG1 3.13Å; L155-V233 HydrophobicContact CG-CG1 3.55Å; N231-V233 PolarHBondContact O-N 2.8Å; V233-G235 VanDerWaalsContact C-N 3.29Å; V233-G235 PolarHBondContact O-N 2.83Å; V233-M236 HydrophobicContact CG2-CE 4.46Å; V233-M236 HydrophobicContact CG2-SD 4Å; V233-M236 CarbonylContact O-C 3.57Å; V233-M236 WeakPolarHBondContact O-CA 3.45Å; V233-M236 WeakPolarHBondContact O-CB 3.49Å; V233-M236 PolarHBondContact O-N 3.03Å; V233-M236 VanDerWaalsContact O-N 3.11Å; V233-I237 HydrophobicContact CG1-CD1 4.24Å; V233-I237 HydrophobicContact CG1-CG1 4.43Å; V233-I237 WeakPolarHBondContact O-CG1 3.48Å; V233-I237 PolarHBondContact O-N 3.21Å; V233-L266 HydrophobicContact CG2-CD1 4.37Å
234	G	97.9	Very high	97.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.7	-39.4	171.3	0	0	0	0	0	112	I150 N231 S232 M236 I237 V238	I150-G234 WeakPolarHBondContact O-CA 3.11Å; N231-G234 WeakPolarHBondContact O-CA 3.32Å; N231-G234 PolarHBondContact O-N 3.14Å; S232-G234 PolarHBondContact O-N 3.36Å; G234-M236 VanDerWaalsContact C-N 3.34Å; G234-I237 PolarHBondContact O-N 3.03Å; G234-V238 WeakPolarHBondContact O-CG2 3.24Å; G234-V238 PolarHBondContact O-N 3.47Å
235	G	98.3	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66	-35	171	0	0	0	0	0	112.8	G230 N231 S232 V233 V238 S239 S256 G259	G230-G235 VanDerWaalsContact C-N 3.33Å; G230-G235 WeakPolarHBondContact O-CA 3.37Å; G230-G235 PolarHBondContact O-N 2.67Å; N231-G235 PolarHBondContact O-N 2.93Å; S232-G235 CarbonylContact O-C 3.56Å; S232-G235 WeakPolarHBondContact O-CA 3.3Å; S232-G235 PolarHBondContact O-N 3.5Å; V233-G235 VanDerWaalsContact C-N 3.29Å; V233-G235 PolarHBondContact O-N 2.83Å; G235-V238 WeakPolarHBondContact O-CB 3.41Å; G235-V238 PolarHBondContact O-N 2.66Å; G235-S239 PolarHBondContact O-N 3.38Å; G235-S239 PolarHBondContact O-OG 3.11Å; G235-S256 PolarHBondContact O-OG 3.47Å; G235-G259 CarbonylContact C-O 3.55Å
236	M	97.7	Very high	97.6	Very high	6 Å²	6	8.3 Å²	8.3	3%	0.03	5%	0.049	C	C	.	.	H	α-helix	trans	-64.3	-45.3	172.2	-55.9	179	-169.8	0	0	110.8	S232 V233 G234 V238 S239 S240 G259 V260 N263 L266 F418	S232-M236 PolarHBondContact O-N 3.28Å; V233-M236 HydrophobicContact CG2-CE 4.46Å; V233-M236 HydrophobicContact CG2-SD 4Å; V233-M236 CarbonylContact O-C 3.57Å; V233-M236 WeakPolarHBondContact O-CA 3.45Å; V233-M236 WeakPolarHBondContact O-CB 3.49Å; V233-M236 PolarHBondContact O-N 3.03Å; V233-M236 VanDerWaalsContact O-N 3.11Å; G234-M236 VanDerWaalsContact C-N 3.34Å; M236-V238 VanDerWaalsContact C-N 3.32Å; M236-V238 PolarHBondContact O-N 2.99Å; M236-S239 WeakPolarHBondContact CA-OG 3.26Å; M236-S239 PolarHBondContact O-N 2.85Å; M236-S239 PolarHBondContact O-OG 3.4Å; M236-S240 WeakPolarHBondContact O-CB 3.44Å; M236-S240 PolarHBondContact O-N 3.22Å; M236-S240 PolarHBondContact O-OG 3.02Å; M236-G259 PolarHBondContact N-O 3.48Å; M236-V260 WeakPolarHBondContact CG-O 3.08Å; M236-N263 HydrophobicContact CE-CB 3.89Å; M236-N263 WeakPolarHBondContact CE-ND2 3.37Å; M236-N263 HydrophobicContact SD-CB 4.24Å; M236-L266 HydrophobicContact CB-CD1 4.08Å; M236-L266 HydrophobicContact CG-CD1 4.36Å; M236-L266 HydrophobicContact SD-CD1 3.33Å; M236-L266 WeakPolarHBondContact SD-CD1 3.06Å; M236-L266 HydrophobicContact SD-CG 3.75Å; M236-F418 HydrophobicContact CE-CE1 4.43Å
237	I	98.1	Very high	97.6	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.015	5%	0.049	C	C	.	.	H	α-helix	trans	-60.8	-41	175	-64.7	168.7	0	0	0	110.9	I150 L155 Y181 L202 V205 V233 G234 S239 S240 L241	I150-I237 HydrophobicContact CD1-CG2 4.21Å; I150-I237 HydrophobicContact CG2-CB 4.03Å; I150-I237 HydrophobicContact CG2-CD1 3.9Å; I150-I237 HydrophobicContact CG2-CG2 3.97Å; L155-I237 HydrophobicContact CD2-CD1 4.05Å; L155-I237 HydrophobicContact CD2-CG1 4.43Å; Y181-I237 HydrophobicContact CD2-CD1 4.4Å; Y181-I237 HydrophobicContact CE1-CD1 4.05Å; Y181-I237 HydrophobicContact CE2-CD1 3.68Å; Y181-I237 VanDerWaalsContact CZ-CD1 3.48Å; Y181-I237 WeakPolarHBondContact OH-CD1 3.25Å; L202-I237 HydrophobicContact CD2-CB 4.39Å; L202-I237 HydrophobicContact CD2-CD1 4.5Å; L202-I237 HydrophobicContact CD2-CG1 3.83Å; L202-I237 HydrophobicContact CD2-CG2 4.02Å; V205-I237 HydrophobicContact CG1-CG2 4.46Å; V205-I237 HydrophobicContact CG2-CG2 4.24Å; V233-I237 HydrophobicContact CG1-CD1 4.24Å; V233-I237 HydrophobicContact CG1-CG1 4.43Å; V233-I237 WeakPolarHBondContact O-CG1 3.48Å; V233-I237 PolarHBondContact O-N 3.21Å; G234-I237 PolarHBondContact O-N 3.03Å; I237-S239 PolarHBondContact O-N 3.44Å; I237-S240 WeakPolarHBondContact O-CB 3.34Å; I237-S240 PolarHBondContact O-N 3.17Å; I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 HydrophobicContact CG2-CG 4.32Å; I237-L241 VanDerWaalsContact O-CG 3.25Å; I237-L241 WeakPolarHBondContact O-CG 3.13Å; I237-L241 PolarHBondContact O-N 2.99Å
238	V	98.8	Very high	97.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-55	-53.3	173.2	166.6	0	0	0	0	110.9	I150 I228 G234 G235 M236 S240 L241 V242 A254	I150-V238 HydrophobicContact CD1-CG2 3.76Å; I228-V238 HydrophobicContact CB-CG2 4.36Å; I228-V238 HydrophobicContact CD1-CB 4.37Å; I228-V238 HydrophobicContact CD1-CG1 3.89Å; I228-V238 HydrophobicContact CD1-CG2 4.43Å; I228-V238 HydrophobicContact CG1-CG1 3.96Å; I228-V238 HydrophobicContact CG1-CG2 4.4Å; G234-V238 WeakPolarHBondContact O-CG2 3.24Å; G234-V238 PolarHBondContact O-N 3.47Å; G235-V238 WeakPolarHBondContact O-CB 3.41Å; G235-V238 PolarHBondContact O-N 2.66Å; M236-V238 VanDerWaalsContact C-N 3.32Å; M236-V238 PolarHBondContact O-N 2.99Å; V238-S240 VanDerWaalsContact C-N 3.29Å; V238-S240 PolarHBondContact O-N 2.86Å; V238-L241 WeakPolarHBondContact O-CB 3.45Å; V238-L241 PolarHBondContact O-N 3.39Å; V238-L241 VanDerWaalsContact O-N 3.15Å; V238-V242 PolarHBondContact O-N 3.28Å; V238-V242 VanDerWaalsContact O-N 3.12Å; V238-A254 HydrophobicContact CG1-CB 3.8Å
239	S	98.3	Very high	97.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-34.3	178.3	57.2	0	0	0	0	112.9	G235 M236 I237 L241 V242 L243 V260 V261 Y339 F425	G235-S239 PolarHBondContact O-N 3.38Å; G235-S239 PolarHBondContact O-OG 3.11Å; M236-S239 WeakPolarHBondContact CA-OG 3.26Å; M236-S239 PolarHBondContact O-N 2.85Å; M236-S239 PolarHBondContact O-OG 3.4Å; I237-S239 PolarHBondContact O-N 3.44Å; S239-L241 VanDerWaalsContact C-N 3.34Å; S239-L241 PolarHBondContact O-N 2.86Å; S239-V242 PolarHBondContact O-N 2.92Å; S239-L243 WeakPolarHBondContact O-CG 3.45Å; S239-L243 PolarHBondContact O-N 3.45Å; S239-V260 WeakPolarHBondContact OG-CA 3.4Å; S239-V261 WeakPolarHBondContact OG-CB 3.49Å; S239-V261 PolarHBondContact OG-N 3.39Å; S239-Y339 WeakPolarHBondContact CA-OH 3.49Å; S239-Y339 WeakPolarHBondContact CB-OH 3.32Å; S239-F425 VanDerWaalsContact CB-CZ 3.48Å
240	S	97.3	Very high	97.3	Very high	4 Å²	4	14.8 Å²	14.8	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-41.5	173	-62.2	0	0	0	0	112.3	M236 I237 V238 V242 L243 S244 V261	M236-S240 WeakPolarHBondContact O-CB 3.44Å; M236-S240 PolarHBondContact O-N 3.22Å; M236-S240 PolarHBondContact O-OG 3.02Å; I237-S240 WeakPolarHBondContact O-CB 3.34Å; I237-S240 PolarHBondContact O-N 3.17Å; V238-S240 VanDerWaalsContact C-N 3.29Å; V238-S240 PolarHBondContact O-N 2.86Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-L243 PolarHBondContact O-N 3.01Å; S240-S244 WeakPolarHBondContact O-CB 3.28Å; S240-S244 PolarHBondContact O-N 3.31Å; S240-V261 WeakPolarHBondContact OG-CG2 3.22Å
241	L	98.3	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69	-29.8	177.3	-67	161.9	0	0	0	112.3	I150 V205 V206 L209 I228 I237 V238 S239 L243 S247 F251 F320	I150-L241 HydrophobicContact CD1-CD1 3.73Å; V205-L241 HydrophobicContact CG1-CD1 3.7Å; V206-L241 HydrophobicContact CG2-CD2 3.68Å; L209-L241 HydrophobicContact CD1-CD1 4.14Å; L209-L241 HydrophobicContact CD1-CD2 4.32Å; I228-L241 HydrophobicContact CD1-CB 3.92Å; I228-L241 HydrophobicContact CD1-CD1 4Å; I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 HydrophobicContact CG2-CG 4.32Å; I237-L241 VanDerWaalsContact O-CG 3.25Å; I237-L241 WeakPolarHBondContact O-CG 3.13Å; I237-L241 PolarHBondContact O-N 2.99Å; V238-L241 WeakPolarHBondContact O-CB 3.45Å; V238-L241 PolarHBondContact O-N 3.39Å; V238-L241 VanDerWaalsContact O-N 3.15Å; S239-L241 VanDerWaalsContact C-N 3.34Å; S239-L241 PolarHBondContact O-N 2.86Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-S247 WeakPolarHBondContact CA-OG 3.24Å; L241-S247 PolarHBondContact O-OG 3.36Å; L241-F251 HydrophobicContact CB-CE1 4.13Å; L241-F320 HydrophobicContact CD2-CE2 4.14Å; L241-F320 HydrophobicContact CD2-CZ 4.15Å
242	V	98.1	Very high	97.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-39.9	171.4	177.8	0	0	0	0	111.3	V238 S239 S240 F251 A254 F334 V337 Y339	V238-V242 PolarHBondContact O-N 3.28Å; V238-V242 VanDerWaalsContact O-N 3.12Å; S239-V242 PolarHBondContact O-N 2.92Å; S240-V242 VanDerWaalsContact C-N 3.32Å; V242-F251 HydrophobicContact CB-CZ 4.48Å; V242-F251 HydrophobicContact CG2-CE2 3.85Å; V242-F251 HydrophobicContact CG2-CZ 3.87Å; V242-A254 HydrophobicContact CG2-CB 3.73Å; V242-F334 HydrophobicContact CG1-CD2 4.13Å; V242-F334 WeakPolarHBondContact O-CB 3.39Å; V242-V337 HydrophobicContact CG1-CG2 4.43Å; V242-V337 HydrophobicContact CG2-CG2 4.41Å; V242-Y339 HydrophobicContact CB-CE2 4.3Å; V242-Y339 HydrophobicContact CG1-CE2 4.42Å; V242-Y339 HydrophobicContact CG2-CD2 4.3Å; V242-Y339 HydrophobicContact CG2-CE2 3.68Å
243	L	96.7	Very high	97.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-81.6	-20.4	-179.6	-57.9	-173.5	0	0	0	113.9	S239 S240 L241 V261 F321 P325 L328 L329 F334 F425	S239-L243 WeakPolarHBondContact O-CG 3.45Å; S239-L243 PolarHBondContact O-N 3.45Å; S240-L243 PolarHBondContact O-N 3.01Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L243-V261 HydrophobicContact CD1-CG1 3.67Å; L243-F321 HydrophobicContact CB-CE1 4.37Å; L243-P325 HydrophobicContact CD1-CB 3.82Å; L243-L328 HydrophobicContact CB-CD1 4.01Å; L243-L328 HydrophobicContact CD1-CB 4.46Å; L243-L329 HydrophobicContact CD1-CD1 4.27Å; L243-L329 HydrophobicContact CD1-CD2 4.38Å; L243-L329 HydrophobicContact CD1-CG 3.93Å; L243-L329 HydrophobicContact CD2-CD2 3.76Å; L243-L329 HydrophobicContact CD2-CG 4.05Å; L243-F334 HydrophobicContact CD2-CB 3.96Å; L243-F334 HydrophobicContact CD2-CD1 3.61Å; L243-F334 HydrophobicContact CD2-CD2 4.26Å; L243-F334 HydrophobicContact CD2-CE1 4.15Å; L243-F334 HydrophobicContact CD2-CG 3.68Å; L243-F425 HydrophobicContact CD1-CE2 4.47Å
244	S	96.8	Very high	97.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	12%	0.117	C	C	.	.			trans	-81.6	132.4	-175	-172.1	0	0	0	0	113	S240 M246 S247 F320	S240-S244 WeakPolarHBondContact O-CB 3.28Å; S240-S244 PolarHBondContact O-N 3.31Å; S244-M246 PolarHBondContact O-N 2.88Å; S244-M246 PolarHBondContact OG-N 3.48Å; S244-S247 PolarHBondContact O-N 2.9Å; S244-S247 PolarHBondContact O-OG 3.26Å; S244-F320 VanDerWaalsContact CB-O 3.27Å; S244-F320 WeakPolarHBondContact CB-O 3.48Å; S244-F320 PolarHBondContact OG-O 2.94Å
245	P	95.6	Very high	97.8	Very high	74 Å²	74	18.2 Å²	18.2	48%	0.481	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-65.9	-21.9	171.4	28.2	-35.2	0	0	0	112.7	S247 A248 P322	P245-S247 PolarHBondContact O-N 3.44Å; P245-A248 WeakPolarHBondContact O-CB 3.21Å; P245-A248 PolarHBondContact O-N 3.14Å; P245-P322 HydrophobicContact CG-CG 4.23Å
246	M	96.6	Very high	97.8	Very high	49 Å²	49	18.2 Å²	18.2	24%	0.241	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-69.5	-20.1	-177.2	-63.6	-167.5	72.3	0	0	113.9	L203 V206 R210 S244 S319 F320	L203-M246 HydrophobicContact CD2-CE 3.43Å; L203-M246 VanDerWaalsContact CD2-CE 3.43Å; L203-M246 HydrophobicContact CD2-SD 3.53Å; L203-M246 VanDerWaalsContact CD2-SD 3.53Å; V206-M246 HydrophobicContact CG1-CB 4.47Å; V206-M246 HydrophobicContact CG2-CB 4.49Å; R210-M246 PolarHBondContact NH2-O 3.37Å; S244-M246 PolarHBondContact O-N 2.88Å; S244-M246 PolarHBondContact OG-N 3.48Å; M246-S319 VanDerWaalsContact CG-O 3.3Å; M246-S319 WeakPolarHBondContact CG-O 3.22Å; M246-F320 HydrophobicContact CB-CD2 4.46Å; M246-F320 HydrophobicContact SD-CB 3.87Å; M246-F320 HydrophobicContact SD-CD2 4.12Å; M246-F320 HydrophobicContact SD-CG 4.48Å
247	S	97.6	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-109.5	3.5	-179	39.5	0	0	0	0	113.7	L241 S244 P245 G249 L250	L241-S247 WeakPolarHBondContact CA-OG 3.24Å; L241-S247 PolarHBondContact O-OG 3.36Å; S244-S247 PolarHBondContact O-N 2.9Å; S244-S247 PolarHBondContact O-OG 3.26Å; P245-S247 PolarHBondContact O-N 3.44Å; S247-G249 PolarHBondContact O-N 3.18Å; S247-L250 WeakPolarHBondContact O-CB 3.39Å; S247-L250 PolarHBondContact O-N 2.88Å; S247-L250 VanDerWaalsContact O-N 3.1Å
248	A	96	Very high	97.9	Very high	54 Å²	54	17.8 Å²	17.8	45%	0.446	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	129.7	175.2	0	0	0	0	0	111	P245 L250	P245-A248 WeakPolarHBondContact O-CB 3.21Å; P245-A248 PolarHBondContact O-N 3.14Å; A248-L250 VanDerWaalsContact C-N 3.27Å; A248-L250 PolarHBondContact O-N 3.5Å
249	G	96.9	Very high	97.8	Very high	62 Å²	62	17.9 Å²	17.9	64%	0.639	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	2.1	-179.7	0	0	0	0	0	115.6	S247	S247-G249 PolarHBondContact O-N 3.18Å
250	L	98.8	Very high	97.8	Very high	21 Å²	21	17.9 Å²	17.9	11%	0.11	12%	0.116	C	C	.	.	S	Bend	trans	-88.2	-16	178.3	-58.4	-175.9	0	0	0	113.7	V206 L209 R210 Q213 S247 A248	V206-L250 HydrophobicContact CG1-CD1 4.06Å; L209-L250 HydrophobicContact CB-CB 4Å; L209-L250 HydrophobicContact CB-CD1 3.86Å; L209-L250 HydrophobicContact CD1-CB 4.45Å; R210-L250 HydrophobicContact CG-CD1 3.83Å; R210-L250 HydrophobicContact CG-CD2 3.92Å; Q213-L250 HydrophobicContact CG-CD2 3.93Å; Q213-L250 PolarHBondContact NE2-O 3.27Å; S247-L250 WeakPolarHBondContact O-CB 3.39Å; S247-L250 PolarHBondContact O-N 2.88Å; S247-L250 VanDerWaalsContact O-N 3.1Å; A248-L250 VanDerWaalsContact C-N 3.27Å; A248-L250 PolarHBondContact O-N 3.5Å
251	F	98.8	Very high	97.6	Very high	11 Å²	11	17.8 Å²	17.8	5%	0.048	12%	0.115	C	C	.	.			trans	-148.3	167.6	177.5	62.9	-88.9	0	0	0	110.6	L209 V226 I228 L241 V242 V337	L209-F251 HydrophobicContact CD1-CD1 4.26Å; V226-F251 HydrophobicContact CB-CB 4.33Å; V226-F251 HydrophobicContact CG1-CB 4.01Å; I228-F251 HydrophobicContact CD1-CD1 3.85Å; I228-F251 HydrophobicContact CD1-CD2 3.89Å; I228-F251 HydrophobicContact CD1-CE1 3.81Å; I228-F251 HydrophobicContact CD1-CE2 3.87Å; I228-F251 HydrophobicContact CD1-CG 3.9Å; I228-F251 HydrophobicContact CD1-CZ 3.83Å; I228-F251 HydrophobicContact CG1-CB 4.45Å; I228-F251 HydrophobicContact CG1-CD1 4.39Å; I228-F251 HydrophobicContact CG1-CD2 3.89Å; I228-F251 HydrophobicContact CG1-CE2 4.28Å; I228-F251 HydrophobicContact CG1-CG 3.97Å; I228-F251 HydrophobicContact CG2-CB 3.94Å; I228-F251 HydrophobicContact CG2-CD1 4.31Å; I228-F251 HydrophobicContact CG2-CG 4.11Å; L241-F251 HydrophobicContact CB-CE1 4.13Å; V242-F251 HydrophobicContact CB-CZ 4.48Å; V242-F251 HydrophobicContact CG2-CE2 3.85Å; V242-F251 HydrophobicContact CG2-CZ 3.87Å; F251-V337 HydrophobicContact CE2-CG1 4.33Å; F251-V337 HydrophobicContact CE2-CG2 4.11Å
252	H	98.8	Very high	97.4	Very high	60 Å²	60	18.7 Å²	18.7	28%	0.278	12%	0.12	S	C	.	.	S	Bend	trans	-124.2	-18.1	-167.8	-55.8	74.7	0	0	0	112.1	P223 N224 V226 P338	P223-H252 PolarHBondContact O-CE1 3.47Å; N224-H252 VanDerWaalsContact CA-CE1 3.46Å; N224-H252 WeakPolarHBondContact CA-CE1 3.32Å; N224-H252 PolarHBondContact O-CD2 3.25Å; N224-H252 PolarHBondContact O-CE1 3.2Å; N224-H252 PolarHBondContact O-NE2 3.2Å; V226-H252 PolarHBondContact N-ND1 3.2Å; V226-H252 PolarHBondContact O-N 3.49Å; H252-P338 WeakPolarHBondContact O-CD 3.43Å
253	R	98.9	Very high	97	Very high	35 Å²	35	18.8 Å²	18.8	13%	0.132	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.8	-178.4	-55	176.6	-174.4	80.8	1.1	109.9	C225 V226 T227 I228 P338 F503 A504 Y505	C225-R253 PolarHBondContact SG-NH1 2.75Å; V226-R253 PolarHBondContact O-N 2.85Å; T227-R253 WeakPolarHBondContact CA-O 3.3Å; T227-R253 HydrophobicContact CG2-CB 3.9Å; I228-R253 PolarHBondContact N-O 3.46Å; R253-P338 WeakPolarHBondContact CA-O 3.47Å; R253-P338 HydrophobicContact CG-CB 4.3Å; R253-P338 HydrophobicContact CG-CG 4.32Å; R253-F503 HydrophobicContact CB-CE1 3.84Å; R253-F503 HydrophobicContact CB-CZ 4.27Å; R253-F503 WeakPolarHBondContact CD-O 3.26Å; R253-F503 PolarHBondContact NE-O 3.48Å; R253-A504 PolarHBondContact NE-O 3.3Å; R253-A504 PolarHBondContact NH1-O 3.38Å; R253-Y505 PolarHBondContact NH2-O 3.25Å; R253-Y505 VanDerWaalsContact NH2-O 3.1Å
254	A	98.9	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.4	-178.1	0	0	0	0	0	111.9	I228 V238 V242 V337 P338 Y339 L340	I228-A254 HydrophobicContact CD1-CB 4.48Å; I228-A254 HydrophobicContact CG1-CB 4.08Å; I228-A254 CarbonylContact O-C 3.48Å; I228-A254 WeakPolarHBondContact O-CA 3.33Å; V238-A254 HydrophobicContact CG1-CB 3.8Å; V242-A254 HydrophobicContact CG2-CB 3.73Å; A254-V337 HydrophobicContact CB-CG2 4.38Å; A254-P338 PolarHBondContact N-O 2.99Å; A254-P338 VanDerWaalsContact N-O 3.08Å; A254-Y339 HydrophobicContact CB-CD2 3.74Å; A254-Y339 HydrophobicContact CB-CE1 4.45Å; A254-Y339 HydrophobicContact CB-CE2 3.63Å; A254-Y339 HydrophobicContact CB-CG 4.23Å; A254-Y339 WeakPolarHBondContact O-CA 3.44Å; A254-L340 PolarHBondContact O-N 3.35Å
255	I	98.9	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.8	174.5	-47.3	176.2	0	0	0	110.8	M147 T227 I228 F229 G230 Q257 L340 W500 F503	M147-I255 HydrophobicContact CE-CD1 4.26Å; T227-I255 HydrophobicContact CG2-CD1 3.98Å; T227-I255 HydrophobicContact CG2-CG1 3.99Å; I228-I255 PolarHBondContact O-N 3.12Å; F229-I255 VanDerWaalsContact CA-O 3.3Å; F229-I255 WeakPolarHBondContact CA-O 3.4Å; F229-I255 HydrophobicContact CB-CB 3.62Å; F229-I255 HydrophobicContact CB-CD1 4.09Å; F229-I255 HydrophobicContact CB-CG1 4.15Å; F229-I255 HydrophobicContact CB-CG2 4.39Å; G230-I255 PolarHBondContact N-O 3.2Å; I255-Q257 HydrophobicContact CG2-CG 4.18Å; I255-L340 CarbonylContact C-O 3.41Å; I255-L340 WeakPolarHBondContact CA-O 3.5Å; I255-L340 HydrophobicContact CG1-CB 4.13Å; I255-L340 HydrophobicContact CG2-CB 4.21Å; I255-L340 HydrophobicContact CG2-CD2 3.67Å; I255-L340 HydrophobicContact CG2-CG 4.48Å; I255-W500 HydrophobicContact CD1-CG 4.28Å; I255-F503 HydrophobicContact CD1-CD1 3.8Å; I255-F503 HydrophobicContact CD1-CE1 4.2Å; I255-F503 HydrophobicContact CG1-CD1 3.79Å; I255-F503 HydrophobicContact CG1-CE1 3.65Å
256	S	98.9	Very high	94.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.9	173.5	-74.8	0	0	0	0	111.1	G235 G259 Y339 L340 L341 G342	G235-S256 PolarHBondContact O-OG 3.47Å; S256-G259 VanDerWaalsContact CB-O 3.3Å; S256-G259 WeakPolarHBondContact CB-O 3.37Å; S256-G259 PolarHBondContact OG-O 3.38Å; S256-Y339 PolarHBondContact OG-OH 2.81Å; S256-L340 PolarHBondContact N-O 2.9Å; S256-L341 WeakPolarHBondContact O-CA 3.33Å; S256-L341 WeakPolarHBondContact O-CB 3.27Å; S256-G342 PolarHBondContact O-N 3.43Å
257	Q	98.6	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.8	177	-58.3	166.3	-156.3	0	0	108.8	G230 N231 S232 I255 G259 Y439 E463	G230-Q257 WeakPolarHBondContact O-CB 3.48Å; G230-Q257 PolarHBondContact O-N 2.96Å; N231-Q257 CarbonylContact C-O 3.59Å; N231-Q257 VanDerWaalsContact CA-O 3.26Å; N231-Q257 WeakPolarHBondContact CA-O 3.35Å; N231-Q257 HydrophobicContact CB-CB 4.17Å; S232-Q257 PolarHBondContact N-O 3.08Å; I255-Q257 HydrophobicContact CG2-CG 4.18Å; Q257-G259 PolarHBondContact O-N 3.45Å; Q257-Y439 WeakPolarHBondContact CB-OH 3.48Å; Q257-Y439 WeakPolarHBondContact CG-OH 3.32Å; Q257-E463 WeakPolarHBondContact CB-OE1 3.33Å; Q257-E463 PolarHBondContact NE2-OE1 2.94Å
258	S	97.9	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	55.6	44.2	174.8	-54.7	0	0	0	0	113.8	S232 G342 E347 F418	S232-S258 WeakPolarHBondContact CA-O 3.1Å; S258-G342 PolarHBondContact N-O 3.42Å; S258-E347 WeakPolarHBondContact CB-OE1 3.43Å; S258-E347 PolarHBondContact OG-OE1 3.26Å; S258-F418 WeakPolarHBondContact O-CD1 3.03Å; S258-F418 WeakPolarHBondContact O-CE1 3.36Å
259	G	97.2	Very high	91.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	14%	0.14	C	C	.	.			trans	171.8	132	176.7	0	0	0	0	0	114.5	G235 M236 S256 Q257	G235-G259 CarbonylContact C-O 3.55Å; M236-G259 PolarHBondContact N-O 3.48Å; S256-G259 VanDerWaalsContact CB-O 3.3Å; S256-G259 WeakPolarHBondContact CB-O 3.37Å; S256-G259 PolarHBondContact OG-O 3.38Å; Q257-G259 PolarHBondContact O-N 3.45Å
260	V	97.4	Very high	91.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.138	C	C	.	.			trans	-139.1	156.9	175.8	-66.1	0	0	0	0	110.7	M236 S239 I262 N263 L341 P421 F425	M236-V260 WeakPolarHBondContact CG-O 3.08Å; S239-V260 WeakPolarHBondContact OG-CA 3.4Å; V260-I262 VanDerWaalsContact C-N 3.26Å; V260-I262 HydrophobicContact CG2-CG1 3.92Å; V260-I262 PolarHBondContact O-N 3.43Å; V260-N263 WeakPolarHBondContact O-CB 3.27Å; V260-N263 PolarHBondContact O-N 2.86Å; V260-L341 HydrophobicContact CG1-CD1 4.35Å; V260-P421 HydrophobicContact CG2-CB 3.87Å; V260-P421 WeakPolarHBondContact CG2-O 3.36Å; V260-F425 HydrophobicContact CB-CB 4.16Å; V260-F425 HydrophobicContact CB-CD1 4.27Å; V260-F425 HydrophobicContact CB-CD2 4.24Å; V260-F425 HydrophobicContact CB-CG 3.98Å; V260-F425 HydrophobicContact CG1-CB 4.11Å; V260-F425 HydrophobicContact CG1-CD1 3.75Å; V260-F425 HydrophobicContact CG1-CE1 4.3Å; V260-F425 HydrophobicContact CG1-CG 3.92Å; V260-F425 HydrophobicContact CG2-CB 3.96Å; V260-F425 HydrophobicContact CG2-CG 4.31Å
261	V	94.8	Very high	91	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.8	-169.5	62.8	0	0	0	0	114.1	S239 S240 L243 N263 Y314 F321 P325 F425	S239-V261 WeakPolarHBondContact OG-CB 3.49Å; S239-V261 PolarHBondContact OG-N 3.39Å; S240-V261 WeakPolarHBondContact OG-CG2 3.22Å; L243-V261 HydrophobicContact CD1-CG1 3.67Å; V261-N263 PolarHBondContact O-N 3.15Å; V261-Y314 HydrophobicContact CG2-CE1 4Å; V261-Y314 PolarHBondContact O-OH 3.04Å; V261-F321 HydrophobicContact CG2-CE1 4.45Å; V261-F321 HydrophobicContact CG2-CZ 3.82Å; V261-P325 HydrophobicContact CB-CB 4.47Å; V261-P325 HydrophobicContact CG1-CB 3.88Å; V261-P325 HydrophobicContact CG2-CB 3.79Å; V261-P325 HydrophobicContact CG2-CG 3.56Å; V261-F425 HydrophobicContact CG1-CE2 3.98Å
262	I	93	Very high	90.7	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.097	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	5.3	175.8	62	171.8	0	0	0	113.6	V260 K264 P325 E326 L329 P421 N424 F425	V260-I262 VanDerWaalsContact C-N 3.26Å; V260-I262 HydrophobicContact CG2-CG1 3.92Å; V260-I262 PolarHBondContact O-N 3.43Å; I262-K264 PolarHBondContact O-N 2.92Å; I262-P325 HydrophobicContact CG2-CB 4.33Å; I262-E326 HydrophobicContact CG2-CG 4.03Å; I262-L329 HydrophobicContact CD1-CD1 4.44Å; I262-L329 HydrophobicContact CG2-CD1 3.37Å; I262-P421 HydrophobicContact CG1-CB 4.32Å; I262-N424 HydrophobicContact CD1-CB 4.13Å; I262-F425 HydrophobicContact CD1-CB 3.88Å; I262-F425 HydrophobicContact CD1-CD2 4.25Å; I262-F425 HydrophobicContact CG1-CB 4.29Å; I262-F425 HydrophobicContact CG1-CD2 4.22Å
263	N	90.2	Very high	90.4	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	15%	0.153	C	C	.	.			trans	-65.8	123.5	169.7	-179	-29.7	0	0	0	110.3	M236 V260 V261 I265 L266 V417 P421	M236-N263 HydrophobicContact CE-CB 3.89Å; M236-N263 WeakPolarHBondContact CE-ND2 3.37Å; M236-N263 HydrophobicContact SD-CB 4.24Å; V260-N263 WeakPolarHBondContact O-CB 3.27Å; V260-N263 PolarHBondContact O-N 2.86Å; V261-N263 PolarHBondContact O-N 3.15Å; N263-I265 PolarHBondContact O-N 3.49Å; N263-I265 WeakPolarHBondContact OD1-CB 2.87Å; N263-I265 WeakPolarHBondContact OD1-CG1 3.33Å; N263-I265 PolarHBondContact OD1-N 3.08Å; N263-L266 PolarHBondContact O-N 3.31Å; N263-V417 VanDerWaalsContact CG-O 3.24Å; N263-V417 WeakPolarHBondContact ND2-CG1 3.32Å; N263-V417 PolarHBondContact ND2-O 2.84Å; N263-P421 HydrophobicContact CB-CB 4.46Å
264	K	85.4	Confident	90	Very high	69 Å²	69	31.3 Å²	31.3	30%	0.3	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-71.1	-6.7	-175.1	-60.1	-58.8	-175.3	-177.9	0	115	I262 L266 K267 E326 L380	I262-K264 PolarHBondContact O-N 2.92Å; K264-L266 VanDerWaalsContact C-N 3.29Å; K264-K267 WeakPolarHBondContact O-CB 3.38Å; K264-K267 PolarHBondContact O-N 2.63Å; K264-E326 IonicContact NZ-OE1 3.78Å; K264-E326 PolarHBondContact NZ-OE1 3.26Å; K264-L380 HydrophobicContact CB-CB 4.46Å
265	I	81.8	Confident	89.8	Confident	60 Å²	60	31.3 Å²	31.3	31%	0.308	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-66.2	-34.9	170.3	-64.4	-178.7	0	0	0	111.3	N263 K267 W356 V417	N263-I265 PolarHBondContact O-N 3.49Å; N263-I265 WeakPolarHBondContact OD1-CB 2.87Å; N263-I265 WeakPolarHBondContact OD1-CG1 3.33Å; N263-I265 PolarHBondContact OD1-N 3.08Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 2.88Å; I265-W356 HydrophobicContact CD1-CH2 3.49Å; I265-W356 VanDerWaalsContact CD1-CH2 3.49Å; I265-W356 HydrophobicContact CD1-CZ2 3.69Å; I265-W356 HydrophobicContact CG1-CH2 4.45Å; I265-V417 HydrophobicContact CD1-CB 4.07Å; I265-V417 HydrophobicContact CD1-CG1 3.21Å; I265-V417 HydrophobicContact CD1-CG2 3.71Å; I265-V417 HydrophobicContact CG1-CG1 4.21Å; I265-V417 HydrophobicContact CG1-CG2 4.37Å
266	L	76.5	Confident	89.5	Confident	13 Å²	13	34.3 Å²	34.3	7%	0.068	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-96.2	43.6	173.1	-62	-173.4	0	0	0	110.7	L155 V233 M236 N263 K264 S313 Y314	L155-L266 HydrophobicContact CD1-CD1 4.2Å; L155-L266 HydrophobicContact CD1-CD2 3.71Å; L155-L266 HydrophobicContact CG-CD2 4.32Å; V233-L266 HydrophobicContact CG2-CD1 4.37Å; M236-L266 HydrophobicContact CB-CD1 4.08Å; M236-L266 HydrophobicContact CG-CD1 4.36Å; M236-L266 HydrophobicContact SD-CD1 3.33Å; M236-L266 WeakPolarHBondContact SD-CD1 3.06Å; M236-L266 HydrophobicContact SD-CG 3.75Å; N263-L266 PolarHBondContact O-N 3.31Å; K264-L266 VanDerWaalsContact C-N 3.29Å; L266-S313 PolarHBondContact O-OG 3.47Å; L266-S313 VanDerWaalsContact O-OG 3.11Å; L266-Y314 HydrophobicContact CB-CD1 4.01Å; L266-Y314 HydrophobicContact CB-CE1 3.81Å; L266-Y314 WeakPolarHBondContact O-CE1 3.37Å; L266-Y314 PolarHBondContact O-OH 3.4Å
267	K	74.4	Confident	89.2	Confident	72 Å²	72	37.4 Å²	37.4	31%	0.313	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-59.2	147.1	178.7	-174.4	169.4	177.7	166	0	110.5	K264 I265 I269 S313 D382	K264-K267 WeakPolarHBondContact O-CB 3.38Å; K264-K267 PolarHBondContact O-N 2.63Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 2.88Å; K267-I269 PolarHBondContact O-N 3.12Å; K267-S313 WeakPolarHBondContact O-CB 3.49Å; K267-S313 PolarHBondContact O-OG 3.15Å; K267-D382 IonicContact NZ-OD1 2.64Å; K267-D382 PolarHBondContact NZ-OD1 2.75Å; K267-D382 IonicContact NZ-OD2 3.49Å; K267-D382 PolarHBondContact NZ-OD2 3.37Å
268	E	73.2	Confident	88.9	Confident	93 Å²	93	37.7 Å²	37.7	44%	0.435	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-56.9	124.6	169	-177.3	172.8	-174.9	0	0	109.9	T316	E268-T316 WeakPolarHBondContact OE1-CB 3.41Å; E268-T316 PolarHBondContact OE1-OG1 2.98Å; E268-T316 VanDerWaalsContact OE1-OG1 3.11Å; E268-T316 PolarHBondContact OE2-OG1 2.67Å
269	I	79.2	Confident	88.6	Confident	34 Å²	34	37.7 Å²	37.7	17%	0.174	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-100.2	153.2	178.2	58.3	173.7	0	0	0	110	K267 P271 E274 N311 I315	K267-I269 PolarHBondContact O-N 3.12Å; I269-P271 WeakPolarHBondContact O-CD 3.03Å; I269-E274 HydrophobicContact CD1-CG 4.2Å; I269-N311 WeakPolarHBondContact CD1-O 3.45Å; I269-N311 HydrophobicContact CG2-CB 4.3Å; I269-I315 HydrophobicContact CG1-CG2 4.34Å
270	N	86.3	Confident	88.4	Confident	110 Å²	110	42.1 Å²	42.1	59%	0.588	21%	0.212	S	C	*	.			trans	-72.3	111.1	161	-176.2	-8.7	0	0	0	107.6	W272 P273	N270-W272 PolarHBondContact O-N 2.71Å; N270-P273 HydrophobicContact CB-CG 4.44Å; N270-P273 VanDerWaalsContact CG-CD 3.44Å; N270-P273 WeakPolarHBondContact O-CD 3.36Å; N270-P273 VanDerWaalsContact OD1-CD 3.29Å; N270-P273 WeakPolarHBondContact OD1-CD 3.49Å
271	P	91.6	Very high	88.2	Confident	21 Å²	21	45.8 Å²	45.8	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-71.1	-32.2	-168	27.7	-35.5	0	0	0	113	S190 G192 I269 E274 A275 I315	S190-P271 CarbonylContact O-C 3.45Å; S190-P271 WeakPolarHBondContact O-CB 3.45Å; G192-P271 VanDerWaalsContact CA-CG 3.43Å; I269-P271 WeakPolarHBondContact O-CD 3.03Å; P271-E274 PolarHBondContact O-N 2.94Å; P271-A275 PolarHBondContact O-N 2.97Å; P271-I315 HydrophobicContact CB-CG2 4.28Å
272	W	93.3	Very high	88.1	Confident	69 Å²	69	47.1 Å²	47.1	26%	0.261	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-49.2	-171.7	176.9	-110.5	0	0	0	114	T191 N270 E274 A275 Q276 L292	T191-W272 HydrophobicContact CG2-CE3 4.11Å; T191-W272 HydrophobicContact CG2-CZ3 3.88Å; N270-W272 PolarHBondContact O-N 2.71Å; W272-E274 VanDerWaalsContact C-N 3.28Å; W272-E274 PolarHBondContact O-N 2.98Å; W272-A275 PolarHBondContact O-N 3.4Å; W272-Q276 HydrophobicContact CD2-CG 4Å; W272-Q276 HydrophobicContact CE3-CG 4.45Å; W272-Q276 HydrophobicContact CH2-CG 4.18Å; W272-Q276 HydrophobicContact CZ2-CG 3.71Å; W272-Q276 WeakPolarHBondContact O-CG 3.29Å; W272-Q276 PolarHBondContact O-N 3.21Å; W272-L292 HydrophobicContact CH2-CD1 4.12Å; W272-L292 HydrophobicContact CZ3-CD1 4.1Å
273	P	92.3	Very high	88.1	Confident	54 Å²	54	50.2 Å²	50.2	35%	0.351	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-36.2	175.9	-25.7	35.4	0	0	0	113.9	N270 T277	N270-P273 HydrophobicContact CB-CG 4.44Å; N270-P273 VanDerWaalsContact CG-CD 3.44Å; N270-P273 WeakPolarHBondContact O-CD 3.36Å; N270-P273 VanDerWaalsContact OD1-CD 3.29Å; N270-P273 WeakPolarHBondContact OD1-CD 3.49Å; P273-T277 WeakPolarHBondContact O-CB 3.28Å; P273-T277 PolarHBondContact O-N 3.29Å; P273-T277 PolarHBondContact O-OG1 2.96Å
274	E	91.1	Very high	88.3	Confident	37 Å²	37	50.3 Å²	50.3	17%	0.173	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-45.3	177.3	-67.4	-71.4	170.6	0	0	110.7	I269 P271 W272 Q276 T277 F278 V310 N311	I269-E274 HydrophobicContact CD1-CG 4.2Å; P271-E274 PolarHBondContact O-N 2.94Å; W272-E274 VanDerWaalsContact C-N 3.28Å; W272-E274 PolarHBondContact O-N 2.98Å; E274-Q276 PolarHBondContact O-N 3.46Å; E274-T277 PolarHBondContact O-N 2.82Å; E274-F278 PolarHBondContact O-N 3.33Å; E274-V310 HydrophobicContact CB-CG1 4.28Å; E274-N311 PolarHBondContact OE1-ND2 2.95Å; E274-N311 PolarHBondContact OE2-N 3Å
275	A	93.3	Very high	88.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-40.2	174.2	0	0	0	0	0	113.2	L189 S190 T191 P271 W272 F278 A279	L189-A275 HydrophobicContact CD1-CB 4.31Å; S190-A275 WeakPolarHBondContact O-CB 3.4Å; T191-A275 HydrophobicContact CG2-CB 4.39Å; P271-A275 PolarHBondContact O-N 2.97Å; W272-A275 PolarHBondContact O-N 3.4Å; A275-F278 PolarHBondContact O-N 2.81Å; A275-A279 WeakPolarHBondContact O-CB 3.38Å; A275-A279 PolarHBondContact O-N 2.89Å
276	Q	93.3	Very high	89.1	Confident	62 Å²	62	49 Å²	49	29%	0.29	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-46.2	174.1	-72.9	-169.3	-48.7	0	0	111.4	W272 E274 F278 A279 N280	W272-Q276 HydrophobicContact CD2-CG 4Å; W272-Q276 HydrophobicContact CE3-CG 4.45Å; W272-Q276 HydrophobicContact CH2-CG 4.18Å; W272-Q276 HydrophobicContact CZ2-CG 3.71Å; W272-Q276 WeakPolarHBondContact O-CG 3.29Å; W272-Q276 PolarHBondContact O-N 3.21Å; E274-Q276 PolarHBondContact O-N 3.46Å; Q276-F278 VanDerWaalsContact C-N 3.31Å; Q276-F278 PolarHBondContact O-N 2.76Å; Q276-A279 PolarHBondContact O-N 2.88Å; Q276-N280 WeakPolarHBondContact O-CB 3.47Å; Q276-N280 PolarHBondContact O-N 2.84Å; Q276-N280 PolarHBondContact O-ND2 2.92Å; Q276-N280 PolarHBondContact O-OD1 3.5Å
277	T	91.5	Very high	89.8	Confident	67 Å²	67	54.9 Å²	54.9	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-45.2	177.8	-61.3	0	0	0	0	111.2	P273 E274 S281	P273-T277 WeakPolarHBondContact O-CB 3.28Å; P273-T277 PolarHBondContact O-N 3.29Å; P273-T277 PolarHBondContact O-OG1 2.96Å; E274-T277 PolarHBondContact O-N 2.82Å; T277-S281 PolarHBondContact O-N 2.89Å
278	F	92.4	Very high	90.9	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-51.7	175.2	-175.1	-119.1	0	0	0	112.1	I185 L189 E274 A275 Q276 N280 S281 L282 L296 L304 V310	I185-F278 HydrophobicContact CB-CE1 4.29Å; I185-F278 HydrophobicContact CB-CZ 4.21Å; I185-F278 HydrophobicContact CD1-CZ 4.41Å; I185-F278 HydrophobicContact CG1-CE1 4.44Å; I185-F278 HydrophobicContact CG1-CZ 4.07Å; I185-F278 HydrophobicContact CG2-CD2 4.34Å; I185-F278 HydrophobicContact CG2-CE1 4.15Å; I185-F278 HydrophobicContact CG2-CE2 3.95Å; I185-F278 HydrophobicContact CG2-CZ 3.84Å; L189-F278 HydrophobicContact CD1-CB 4.33Å; L189-F278 HydrophobicContact CD1-CD1 4.23Å; L189-F278 HydrophobicContact CD1-CG 4.47Å; L189-F278 HydrophobicContact CD2-CD1 3.54Å; L189-F278 HydrophobicContact CD2-CE1 3.88Å; E274-F278 PolarHBondContact O-N 3.33Å; A275-F278 PolarHBondContact O-N 2.81Å; Q276-F278 VanDerWaalsContact C-N 3.31Å; Q276-F278 PolarHBondContact O-N 2.76Å; F278-N280 VanDerWaalsContact C-N 3.29Å; F278-N280 PolarHBondContact O-N 3.35Å; F278-S281 WeakPolarHBondContact O-CB 3.35Å; F278-S281 PolarHBondContact O-N 2.88Å; F278-S281 PolarHBondContact O-OG 3.33Å; F278-L282 HydrophobicContact CD1-CD1 4.43Å; F278-L282 HydrophobicContact CE1-CD1 3.81Å; F278-L282 HydrophobicContact CE2-CD1 4.11Å; F278-L282 HydrophobicContact CZ-CD1 3.63Å; F278-L296 HydrophobicContact CD1-CD1 4.28Å; F278-L296 HydrophobicContact CD1-CD2 4.29Å; F278-L296 HydrophobicContact CE1-CD1 4.4Å; F278-L296 HydrophobicContact CE1-CD2 4.08Å; F278-L304 HydrophobicContact CE1-CD2 4.08Å; F278-L304 HydrophobicContact CZ-CB 4.34Å; F278-L304 HydrophobicContact CZ-CD2 4.08Å; F278-L304 WeakPolarHBondContact CZ-O 3.17Å; F278-V310 HydrophobicContact CB-CG2 3.52Å; F278-V310 HydrophobicContact CD2-CG2 3.48Å; F278-V310 VanDerWaalsContact CD2-CG2 3.48Å; F278-V310 HydrophobicContact CG-CG2 3.8Å
279	A	93.4	Very high	92	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-37.4	-177.9	0	0	0	0	0	112.4	A275 Q276 S281 L282 A283 C284 L292	A275-A279 WeakPolarHBondContact O-CB 3.38Å; A275-A279 PolarHBondContact O-N 2.89Å; Q276-A279 PolarHBondContact O-N 2.88Å; A279-S281 VanDerWaalsContact C-N 3.27Å; A279-S281 PolarHBondContact O-N 2.94Å; A279-L282 CarbonylContact O-C 3.55Å; A279-L282 PolarHBondContact O-N 3.36Å; A279-L282 VanDerWaalsContact O-N 3.1Å; A279-A283 PolarHBondContact O-N 2.94Å; A279-C284 HydrophobicContact CB-CB 4.08Å; A279-C284 PolarHBondContact O-N 3.32Å; A279-L292 HydrophobicContact CB-CD1 3.61Å; A279-L292 HydrophobicContact CB-CD2 4.1Å; A279-L292 HydrophobicContact CB-CG 3.65Å
280	N	92.5	Very high	92.9	Very high	93 Å²	93	52.8 Å²	52.8	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-41.7	174	-70.3	-14.2	0	0	0	111.4	Q276 F278 L282 A283 S285	Q276-N280 WeakPolarHBondContact O-CB 3.47Å; Q276-N280 PolarHBondContact O-N 2.84Å; Q276-N280 PolarHBondContact O-ND2 2.92Å; Q276-N280 PolarHBondContact O-OD1 3.5Å; F278-N280 VanDerWaalsContact C-N 3.29Å; F278-N280 PolarHBondContact O-N 3.35Å; N280-L282 PolarHBondContact O-N 3.42Å; N280-L282 VanDerWaalsContact O-N 3.15Å; N280-A283 PolarHBondContact O-N 3.21Å; N280-S285 WeakPolarHBondContact OD1-CB 3.39Å
281	S	92.1	Very high	93.4	Very high	78 Å²	78	53.4 Å²	53.4	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-17.2	-179.4	77.6	0	0	0	0	113.7	T277 F278 A279	T277-S281 PolarHBondContact O-N 2.89Å; F278-S281 WeakPolarHBondContact O-CB 3.35Å; F278-S281 PolarHBondContact O-N 2.88Å; F278-S281 PolarHBondContact O-OG 3.33Å; A279-S281 VanDerWaalsContact C-N 3.27Å; A279-S281 PolarHBondContact O-N 2.94Å
282	L	92.8	Very high	93.7	Very high	29 Å²	29	52.4 Å²	52.4	15%	0.152	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	10.6	-179.7	-66.4	169.5	0	0	0	113.3	F278 A279 N280 C284 L296 K299 L304	F278-L282 HydrophobicContact CD1-CD1 4.43Å; F278-L282 HydrophobicContact CE1-CD1 3.81Å; F278-L282 HydrophobicContact CE2-CD1 4.11Å; F278-L282 HydrophobicContact CZ-CD1 3.63Å; A279-L282 CarbonylContact O-C 3.55Å; A279-L282 PolarHBondContact O-N 3.36Å; A279-L282 VanDerWaalsContact O-N 3.1Å; N280-L282 PolarHBondContact O-N 3.42Å; N280-L282 VanDerWaalsContact O-N 3.15Å; L282-C284 PolarHBondContact O-N 3.02Å; L282-L296 HydrophobicContact CD1-CD2 3.82Å; L282-K299 VanDerWaalsContact O-CE 3.27Å; L282-K299 WeakPolarHBondContact O-CE 3.38Å; L282-K299 PolarHBondContact O-NZ 3.36Å; L282-L304 HydrophobicContact CD1-CD2 3.49Å; L282-L304 VanDerWaalsContact CD1-CD2 3.49Å
283	A	93.4	Very high	93.9	Very high	84 Å²	84	49.5 Å²	49.5	69%	0.694	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	39.4	-173.1	0	0	0	0	0	112.9	A279 N280	A279-A283 PolarHBondContact O-N 2.94Å; N280-A283 PolarHBondContact O-N 3.21Å
284	C	94.8	Very high	94.1	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.034	30%	0.3	C	S	.	.			trans	-112.6	20.9	174.9	-77.2	0	0	0	0	112.6	A279 L282 S286 C295 L296 K299	A279-C284 HydrophobicContact CB-CB 4.08Å; A279-C284 PolarHBondContact O-N 3.32Å; L282-C284 PolarHBondContact O-N 3.02Å; C284-S286 PolarHBondContact O-N 3.3Å; C284-C295 WeakPolarHBondContact CA-SG 3.47Å; C284-C295 HydrophobicContact CB-CB 3.58Å; C284-C295 WeakPolarHBondContact CB-SG 3.46Å; C284-C295 WeakPolarHBondContact SG-CB 3.41Å; C284-C295 CovalentContact SG-SG 2.04Å; C284-C295 PolarHBondContact SG-SG 2.69Å; C284-L296 HydrophobicContact CB-CD2 4.02Å; C284-L296 HydrophobicContact CB-CG 4.41Å; C284-K299 WeakPolarHBondContact SG-CE 3.3Å
285	S	89.3	Confident	94.4	Very high	77 Å²	77	51.7 Å²	51.7	54%	0.538	30%	0.304	S	S	.	.			trans	-63.8	125.7	-178.5	60.7	0	0	0	0	111	N280	N280-S285 WeakPolarHBondContact OD1-CB 3.39Å
286	S	93.6	Very high	94.6	Very high	24 Å²	24	51.7 Å²	51.7	17%	0.168	30%	0.304	C	S	.	.			trans	-146.3	153.4	170.1	-178.4	0	0	0	0	110.2	C284 S288 E291	C284-S286 PolarHBondContact O-N 3.3Å; S286-S288 VanDerWaalsContact C-N 3.28Å; S286-S288 PolarHBondContact OG-N 2.85Å; S286-S288 PolarHBondContact OG-O 2.92Å; S286-E291 PolarHBondContact OG-OE2 2.78Å
287	V	91.4	Very high	94.8	Very high	137 Å²	137	50.1 Å²	50.1	83%	0.83	30%	0.297	S	S	*	.	S	Bend	trans	-75.7	-21.8	167.1	-64.1	0	0	0	0	111.6
288	S	97.3	Very high	95	Very high	39 Å²	39	54.3 Å²	54.3	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-90.3	122.3	174.3	174.6	0	0	0	0	109.9	S286 E290 E291 L292	S286-S288 VanDerWaalsContact C-N 3.28Å; S286-S288 PolarHBondContact OG-N 2.85Å; S286-S288 PolarHBondContact OG-O 2.92Å; S288-E290 VanDerWaalsContact C-N 3.26Å; S288-E290 PolarHBondContact O-N 3.29Å; S288-E290 PolarHBondContact OG-N 2.79Å; S288-E291 PolarHBondContact O-N 3.41Å; S288-E291 PolarHBondContact OG-N 3.44Å; S288-L292 WeakPolarHBondContact O-CB 3.33Å; S288-L292 PolarHBondContact O-N 3.3Å
289	S	96.9	Very high	95.1	Very high	13 Å²	13	56.9 Å²	56.9	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-35.1	174.7	53.4	0	0	0	0	112.1	D193 H195 V293	D193-S289 WeakPolarHBondContact OD2-CB 3.46Å; D193-S289 PolarHBondContact OD2-OG 2.95Å; H195-S289 PolarHBondContact CD2-OG 3.2Å; S289-V293 WeakPolarHBondContact O-CB 3.47Å; S289-V293 WeakPolarHBondContact O-CG2 3.46Å; S289-V293 PolarHBondContact O-N 2.83Å
290	E	97.5	Very high	95.1	Very high	103 Å²	103	62 Å²	62	48%	0.481	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-51	175.8	-173.3	167.2	-160	0	0	111.8	H195 S288 L292 V293 Q294	H195-E290 IonicContact CE1-OE2 3.83Å; S288-E290 VanDerWaalsContact C-N 3.26Å; S288-E290 PolarHBondContact O-N 3.29Å; S288-E290 PolarHBondContact OG-N 2.79Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 2.76Å; E290-V293 PolarHBondContact O-N 3.11Å; E290-Q294 HydrophobicContact CG-CG 4.5Å; E290-Q294 WeakPolarHBondContact O-CB 3.33Å; E290-Q294 VanDerWaalsContact O-CG 3.29Å; E290-Q294 WeakPolarHBondContact O-CG 3.27Å; E290-Q294 PolarHBondContact O-N 3.47Å
291	E	97.8	Very high	95.1	Very high	123 Å²	123	58 Å²	58	58%	0.575	33%	0.327	S	S	*	.	H	α-helix	trans	-64.1	-39.5	-180	-66.9	175.2	172.1	0	0	111.7	S286 S288 Q294 C295	S286-E291 PolarHBondContact OG-OE2 2.78Å; S288-E291 PolarHBondContact O-N 3.41Å; S288-E291 PolarHBondContact OG-N 3.44Å; E291-Q294 PolarHBondContact O-N 2.88Å; E291-C295 WeakPolarHBondContact O-CB 3.47Å; E291-C295 PolarHBondContact O-N 3.2Å
292	L	97.4	Very high	94.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.9	-51.3	174.2	-178.5	157.2	0	0	0	110.4	T191 W272 A279 S288 E290 C295 L296	T191-L292 HydrophobicContact CG2-CD2 4.34Å; W272-L292 HydrophobicContact CH2-CD1 4.12Å; W272-L292 HydrophobicContact CZ3-CD1 4.1Å; A279-L292 HydrophobicContact CB-CD1 3.61Å; A279-L292 HydrophobicContact CB-CD2 4.1Å; A279-L292 HydrophobicContact CB-CG 3.65Å; S288-L292 WeakPolarHBondContact O-CB 3.33Å; S288-L292 PolarHBondContact O-N 3.3Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 2.76Å; L292-C295 PolarHBondContact O-N 2.92Å; L292-L296 HydrophobicContact CD2-CD1 3.64Å; L292-L296 HydrophobicContact CD2-CG 4.27Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.94Å
293	V	97.6	Very high	94.7	Very high	9 Å²	9	61.8 Å²	61.8	6%	0.055	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-43.3	179.8	172	0	0	0	0	110.9	F78 T191 H195 M196 S289 E290 C295 L296 L297	F78-V293 HydrophobicContact CD2-CG1 4.38Å; T191-V293 HydrophobicContact CG2-CG2 4.05Å; H195-V293 HydrophobicContact CB-CG2 4.25Å; M196-V293 HydrophobicContact CB-CG2 3.8Å; M196-V293 HydrophobicContact CE-CG2 4.1Å; M196-V293 HydrophobicContact SD-CG2 4.47Å; S289-V293 WeakPolarHBondContact O-CB 3.47Å; S289-V293 WeakPolarHBondContact O-CG2 3.46Å; S289-V293 PolarHBondContact O-N 2.83Å; E290-V293 PolarHBondContact O-N 3.11Å; V293-C295 VanDerWaalsContact C-N 3.3Å; V293-C295 PolarHBondContact O-N 3.01Å; V293-L296 PolarHBondContact O-N 3.45Å; V293-L297 HydrophobicContact CG1-CD1 4.13Å; V293-L297 HydrophobicContact CG1-CG 4.36Å; V293-L297 WeakPolarHBondContact O-CG 3.29Å; V293-L297 PolarHBondContact O-N 2.79Å
294	Q	97.6	Very high	94.5	Very high	98 Å²	98	57.8 Å²	57.8	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-58.8	-41.9	176	-71.5	-58.3	-29	0	0	111.7	E290 E291 L297 Q298	E290-Q294 HydrophobicContact CG-CG 4.5Å; E290-Q294 WeakPolarHBondContact O-CB 3.33Å; E290-Q294 VanDerWaalsContact O-CG 3.29Å; E290-Q294 WeakPolarHBondContact O-CG 3.27Å; E290-Q294 PolarHBondContact O-N 3.47Å; E291-Q294 PolarHBondContact O-N 2.88Å; Q294-L297 PolarHBondContact O-N 3.17Å; Q294-Q298 WeakPolarHBondContact O-CG 3.17Å; Q294-Q298 PolarHBondContact O-N 3.15Å
295	C	97.3	Very high	94	Very high	38 Å²	38	58.4 Å²	58.4	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-44.2	175.6	-176	0	0	0	0	112.4	C284 E291 L292 V293 L297 Q298	C284-C295 WeakPolarHBondContact CA-SG 3.47Å; C284-C295 HydrophobicContact CB-CB 3.58Å; C284-C295 WeakPolarHBondContact CB-SG 3.46Å; C284-C295 WeakPolarHBondContact SG-CB 3.41Å; C284-C295 CovalentContact SG-SG 2.04Å; C284-C295 PolarHBondContact SG-SG 2.69Å; E291-C295 WeakPolarHBondContact O-CB 3.47Å; E291-C295 PolarHBondContact O-N 3.2Å; L292-C295 PolarHBondContact O-N 2.92Å; V293-C295 VanDerWaalsContact C-N 3.3Å; V293-C295 PolarHBondContact O-N 3.01Å; C295-L297 VanDerWaalsContact C-N 3.3Å; C295-L297 PolarHBondContact O-N 2.95Å; C295-Q298 PolarHBondContact O-N 3.13Å; C295-Q298 VanDerWaalsContact O-N 3.13Å
296	L	96.3	Very high	93.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-33.9	177.6	-67.6	180	0	0	0	112.6	R77 F78 L189 F278 L282 C284 L292 V293 Q298 K299 L304	R77-L296 PolarHBondContact NH1-O 2.56Å; F78-L296 HydrophobicContact CE2-CB 3.86Å; F78-L296 HydrophobicContact CZ-CB 4.27Å; L189-L296 HydrophobicContact CD2-CD1 3.84Å; F278-L296 HydrophobicContact CD1-CD1 4.28Å; F278-L296 HydrophobicContact CD1-CD2 4.29Å; F278-L296 HydrophobicContact CE1-CD1 4.4Å; F278-L296 HydrophobicContact CE1-CD2 4.08Å; L282-L296 HydrophobicContact CD1-CD2 3.82Å; C284-L296 HydrophobicContact CB-CD2 4.02Å; C284-L296 HydrophobicContact CB-CG 4.41Å; L292-L296 HydrophobicContact CD2-CD1 3.64Å; L292-L296 HydrophobicContact CD2-CG 4.27Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.94Å; V293-L296 PolarHBondContact O-N 3.45Å; L296-Q298 PolarHBondContact O-N 3.32Å; L296-K299 WeakPolarHBondContact O-CB 3.37Å; L296-K299 PolarHBondContact O-N 3.01Å; L296-K299 VanDerWaalsContact O-N 3.16Å; L296-L304 HydrophobicContact CD2-CD2 4.06Å
297	L	97	Very high	92	Very high	30 Å²	30	61.5 Å²	61.5	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-64.4	-26.3	174.8	-72.5	172.9	0	0	0	112.8	G74 R77 F78 V293 Q294 C295 K299	G74-L297 WeakPolarHBondContact O-CD2 3.42Å; R77-L297 HydrophobicContact CB-CD2 3.95Å; R77-L297 PolarHBondContact NH1-O 3.39Å; F78-L297 HydrophobicContact CD2-CD2 3.61Å; F78-L297 HydrophobicContact CD2-CG 4.1Å; F78-L297 HydrophobicContact CE2-CD2 3.9Å; F78-L297 HydrophobicContact CE2-CG 4.26Å; V293-L297 HydrophobicContact CG1-CD1 4.13Å; V293-L297 HydrophobicContact CG1-CG 4.36Å; V293-L297 WeakPolarHBondContact O-CG 3.29Å; V293-L297 PolarHBondContact O-N 2.79Å; Q294-L297 PolarHBondContact O-N 3.17Å; C295-L297 VanDerWaalsContact C-N 3.3Å; C295-L297 PolarHBondContact O-N 2.95Å; L297-K299 VanDerWaalsContact C-N 3.33Å
298	Q	96.3	Very high	90.6	Very high	154 Å²	154	61.4 Å²	61.4	72%	0.72	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.9	175.8	-58.4	-53.8	-46.8	0	0	113.7	Q294 C295 L296	Q294-Q298 WeakPolarHBondContact O-CG 3.17Å; Q294-Q298 PolarHBondContact O-N 3.15Å; C295-Q298 PolarHBondContact O-N 3.13Å; C295-Q298 VanDerWaalsContact O-N 3.13Å; L296-Q298 PolarHBondContact O-N 3.32Å
299	K	95.4	Very high	89.2	Confident	61 Å²	61	65.3 Å²	65.3	27%	0.265	32%	0.319	S	S	.	.	S	Bend	trans	-79.8	151.5	178.7	-59.5	-61.7	-178.2	172.4	0	111.5	R77 L282 C284 L296 L297 L304	R77-K299 PolarHBondContact NH1-O 3.46Å; R77-K299 PolarHBondContact NH2-O 2.96Å; L282-K299 VanDerWaalsContact O-CE 3.27Å; L282-K299 WeakPolarHBondContact O-CE 3.38Å; L282-K299 PolarHBondContact O-NZ 3.36Å; C284-K299 WeakPolarHBondContact SG-CE 3.3Å; L296-K299 WeakPolarHBondContact O-CB 3.37Å; L296-K299 PolarHBondContact O-N 3.01Å; L296-K299 VanDerWaalsContact O-N 3.16Å; L297-K299 VanDerWaalsContact C-N 3.33Å; K299-L304 HydrophobicContact CB-CD1 4.38Å; K299-L304 HydrophobicContact CB-CD2 3.69Å; K299-L304 HydrophobicContact CB-CG 3.91Å; K299-L304 HydrophobicContact CG-CD2 4.05Å
300	E	93.6	Very high	88.3	Confident	108 Å²	108	65.7 Å²	65.7	51%	0.505	32%	0.321	S	S	.	.			trans	-72.5	143.5	169.1	-64.1	-170.3	-175.9	0	0	110.3	K302 D303 L304	E300-K302 HydrophobicContact CB-CG 4.2Å; E300-K302 PolarHBondContact O-N 2.83Å; E300-K302 VanDerWaalsContact O-N 3.16Å; E300-K302 WeakPolarHBondContact OE2-CD 3.48Å; E300-K302 WeakPolarHBondContact OE2-CE 3.42Å; E300-K302 IonicContact OE2-NZ 2.64Å; E300-K302 PolarHBondContact OE2-NZ 3.39Å; E300-D303 PolarHBondContact O-N 3.34Å; E300-L304 PolarHBondContact O-N 2.98Å
301	G	90.9	Very high	87.6	Confident	7 Å²	7	65.6 Å²	65.6	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-56.6	-34.6	-178.7	0	0	0	0	0	113.5	E125 D303 L304 N305	E125-G301 VanDerWaalsContact OE1-CA 3.27Å; E125-G301 WeakPolarHBondContact OE1-CA 3.39Å; G301-D303 VanDerWaalsContact C-N 3.26Å; G301-D303 PolarHBondContact O-N 2.77Å; G301-L304 PolarHBondContact O-N 2.67Å; G301-N305 WeakPolarHBondContact O-CB 3.4Å; G301-N305 PolarHBondContact O-N 3.29Å
302	K	88.5	Confident	87.1	Confident	132 Å²	132	61 Å²	61	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-62.4	-31.6	177.1	76.4	-170.2	-168.5	-151.7	0	113.4	E300	E300-K302 HydrophobicContact CB-CG 4.2Å; E300-K302 PolarHBondContact O-N 2.83Å; E300-K302 VanDerWaalsContact O-N 3.16Å; E300-K302 WeakPolarHBondContact OE2-CD 3.48Å; E300-K302 WeakPolarHBondContact OE2-CE 3.42Å; E300-K302 IonicContact OE2-NZ 2.64Å; E300-K302 PolarHBondContact OE2-NZ 3.39Å
303	D	88.9	Confident	86.6	Confident	56 Å²	56	61.1 Å²	61.1	30%	0.299	30%	0.304	S	S	.	.	H	α-helix	trans	-78.3	-36.6	179.5	-62.6	-34.5	0	0	0	110.5	E300 G301 N305	E300-D303 PolarHBondContact O-N 3.34Å; G301-D303 VanDerWaalsContact C-N 3.26Å; G301-D303 PolarHBondContact O-N 2.77Å; D303-N305 VanDerWaalsContact C-N 3.3Å; D303-N305 PolarHBondContact O-N 2.72Å
304	L	88.9	Confident	86.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.3	-30.3	175.1	-60.6	179.8	0	0	0	112.8	F78 I185 F186 F278 L282 L296 K299 E300 G301 K306	F78-L304 HydrophobicContact CZ-CD1 4.09Å; I185-L304 HydrophobicContact CD1-CB 3.62Å; I185-L304 HydrophobicContact CD1-CD1 4.08Å; I185-L304 HydrophobicContact CD1-CG 4.36Å; I185-L304 HydrophobicContact CG1-CB 4.27Å; F186-L304 HydrophobicContact CE1-CB 4.33Å; F186-L304 HydrophobicContact CE1-CD1 3.88Å; F186-L304 HydrophobicContact CZ-CB 3.84Å; F186-L304 HydrophobicContact CZ-CD1 4.23Å; F278-L304 HydrophobicContact CE1-CD2 4.08Å; F278-L304 HydrophobicContact CZ-CB 4.34Å; F278-L304 HydrophobicContact CZ-CD2 4.08Å; F278-L304 WeakPolarHBondContact CZ-O 3.17Å; L282-L304 HydrophobicContact CD1-CD2 3.49Å; L282-L304 VanDerWaalsContact CD1-CD2 3.49Å; L296-L304 HydrophobicContact CD2-CD2 4.06Å; K299-L304 HydrophobicContact CB-CD1 4.38Å; K299-L304 HydrophobicContact CB-CD2 3.69Å; K299-L304 HydrophobicContact CB-CG 3.91Å; K299-L304 HydrophobicContact CG-CD2 4.05Å; E300-L304 PolarHBondContact O-N 2.98Å; G301-L304 PolarHBondContact O-N 2.67Å; L304-K306 PolarHBondContact O-N 3.31Å
305	N	85.1	Confident	85.9	Confident	17 Å²	17	56.8 Å²	56.8	9%	0.091	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.4	-175	-167.8	45.3	0	0	0	114.5	Q102 F186 G301 D303 Q307	Q102-N305 VanDerWaalsContact CA-OD1 3.25Å; Q102-N305 WeakPolarHBondContact CA-OD1 3.38Å; Q102-N305 PolarHBondContact N-OD1 3.44Å; Q102-N305 PolarHBondContact O-ND2 3.26Å; F186-N305 HydrophobicContact CE2-CB 4.33Å; G301-N305 WeakPolarHBondContact O-CB 3.4Å; G301-N305 PolarHBondContact O-N 3.29Å; D303-N305 VanDerWaalsContact C-N 3.3Å; D303-N305 PolarHBondContact O-N 2.72Å; N305-Q307 WeakPolarHBondContact O-CG 3.4Å; N305-Q307 PolarHBondContact O-N 3.11Å
306	K	74.8	Confident	85.5	Confident	144 Å²	144	56.9 Å²	56.9	63%	0.626	28%	0.282	S	S	*	.			trans	-80.7	82.7	176.9	-65.3	-179.9	-177.8	173.9	0	110.5	L304 N308	L304-K306 PolarHBondContact O-N 3.31Å; K306-N308 PolarHBondContact O-N 2.88Å
307	Q	65.1	Low	85	Confident	22 Å²	22	58 Å²	58	10%	0.103	29%	0.288	C	S	.	.			trans	-88.7	54.3	-165.9	-63.9	174.1	24.6	0	0	115.1	V156 I185 N305	V156-Q307 VanDerWaalsContact CG1-OE1 3.24Å; I185-Q307 HydrophobicContact CG2-CG 4.46Å; N305-Q307 WeakPolarHBondContact O-CG 3.4Å; N305-Q307 PolarHBondContact O-N 3.11Å
308	N	62.8	Low	84.1	Confident	136 Å²	136	64.3 Å²	64.3	73%	0.727	32%	0.322	S	S	*	.	S	Bend	trans	-85.3	-20	-170.3	-69	-10	0	0	0	115.3	K306	K306-N308 PolarHBondContact O-N 2.88Å
309	N	67.4	Low	83.7	Confident	121 Å²	121	59.6 Å²	59.6	65%	0.647	31%	0.306	S	S	*	.	S	Bend	trans	-138.4	25.3	-166.3	-63.4	-21.8	0	0	0	115.1
310	V	78.5	Confident	83.6	Confident	21 Å²	21	56.7 Å²	56.7	13%	0.127	29%	0.293	C	S	.	.			trans	-127.5	129.9	-177.6	-170	0	0	0	0	110.3	L189 E274 F278 I312	L189-V310 HydrophobicContact CD1-CG1 4.18Å; E274-V310 HydrophobicContact CB-CG1 4.28Å; F278-V310 HydrophobicContact CB-CG2 3.52Å; F278-V310 HydrophobicContact CD2-CG2 3.48Å; F278-V310 VanDerWaalsContact CD2-CG2 3.48Å; F278-V310 HydrophobicContact CG-CG2 3.8Å; V310-I312 HydrophobicContact CG1-CD1 4.22Å; V310-I312 PolarHBondContact O-N 3Å
311	N	83.3	Confident	83.6	Confident	101 Å²	101	51.6 Å²	51.6	54%	0.54	27%	0.269	S	S	.	.			trans	-75.4	120.3	171	-68.1	-43.4	0	0	0	109.8	I269 E274	I269-N311 WeakPolarHBondContact CD1-O 3.45Å; I269-N311 HydrophobicContact CG2-CB 4.3Å; E274-N311 PolarHBondContact OE1-ND2 2.95Å; E274-N311 PolarHBondContact OE2-N 3Å
312	I	86.1	Confident	83.6	Confident	26 Å²	26	53.9 Å²	53.9	13%	0.133	28%	0.283	C	S	.	.			trans	-97.9	116.7	178.5	-62.4	-56.7	0	0	0	108.3	L155 V156 I185 F188 V310	L155-I312 HydrophobicContact CB-CG2 3.76Å; L155-I312 HydrophobicContact CD1-CG2 4.15Å; V156-I312 HydrophobicContact CG1-CB 4.18Å; V156-I312 HydrophobicContact CG1-CG1 4.01Å; V156-I312 HydrophobicContact CG1-CG2 4.25Å; I185-I312 HydrophobicContact CG2-CD1 4.19Å; F188-I312 HydrophobicContact CB-CG2 3.79Å; F188-I312 HydrophobicContact CD2-CG2 3.92Å; F188-I312 HydrophobicContact CG-CG2 4Å; V310-I312 HydrophobicContact CG1-CD1 4.22Å; V310-I312 PolarHBondContact O-N 3Å
313	S	88.4	Confident	83.8	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.021	27%	0.266	C	S	.	.			trans	-151.1	174.4	179.7	-163.2	0	0	0	0	111.2	L266 K267	L266-S313 PolarHBondContact O-OG 3.47Å; L266-S313 VanDerWaalsContact O-OG 3.11Å; K267-S313 WeakPolarHBondContact O-CB 3.49Å; K267-S313 PolarHBondContact O-OG 3.15Å
314	Y	89.2	Confident	83.9	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.035	26%	0.264	C	S	.	.			trans	-78.7	163.1	165.7	66.8	-99.8	0	0	0	110.6	N199 V261 L266 F321 P325	N199-Y314 WeakPolarHBondContact OD1-CA 3.48Å; V261-Y314 HydrophobicContact CG2-CE1 4Å; V261-Y314 PolarHBondContact O-OH 3.04Å; L266-Y314 HydrophobicContact CB-CD1 4.01Å; L266-Y314 HydrophobicContact CB-CE1 3.81Å; L266-Y314 WeakPolarHBondContact O-CE1 3.37Å; L266-Y314 PolarHBondContact O-OH 3.4Å; Y314-F321 HydrophobicContact CD1-CE2 4.45Å; Y314-F321 AromaticContact CD2-CD2 3.79Å; Y314-F321 HydrophobicContact CD2-CD2 3.79Å; Y314-F321 AromaticContact CD2-CE2 3.68Å; Y314-F321 HydrophobicContact CD2-CE2 3.68Å; Y314-F321 HydrophobicContact CE2-CD2 4.41Å; Y314-F321 HydrophobicContact CE2-CE2 4.25Å; Y314-F321 HydrophobicContact CG-CD2 4.3Å; Y314-F321 AromaticContact CG-CE2 3.82Å; Y314-F321 HydrophobicContact CG-CE2 3.82Å; Y314-P325 HydrophobicContact CE2-CG 3.93Å
315	I	90.3	Very high	84.1	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.264	C	S	.	.			trans	-125.5	150.3	172.2	65.4	167	0	0	0	111.1	S190 P197 N199 I269 P271	S190-I315 WeakPolarHBondContact OG-CD1 3.46Å; P197-I315 WeakPolarHBondContact O-CD1 3.2Å; N199-I315 PolarHBondContact ND2-O 3.02Å; N199-I315 PolarHBondContact OD1-N 3.24Å; I269-I315 HydrophobicContact CG1-CG2 4.34Å; P271-I315 HydrophobicContact CB-CG2 4.28Å
316	T	89.5	Confident	84.5	Confident	41 Å²	41	50.5 Å²	50.5	25%	0.252	27%	0.271	S	S	.	.			trans	-72.8	130.6	167.5	-58	0	0	0	0	108.5	E268 F321	E268-T316 WeakPolarHBondContact OE1-CB 3.41Å; E268-T316 PolarHBondContact OE1-OG1 2.98Å; E268-T316 VanDerWaalsContact OE1-OG1 3.11Å; E268-T316 PolarHBondContact OE2-OG1 2.67Å; T316-F321 WeakPolarHBondContact CG2-O 3.36Å
317	N	84.3	Confident	85.4	Confident	23 Å²	23	47.9 Å²	47.9	12%	0.123	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-152.4	158.9	177.6	69.7	25.2	0	0	0	111.5	P197 N199 S319 F320 F321 P322	P197-N317 PolarHBondContact O-ND2 3.46Å; N199-N317 PolarHBondContact ND2-ND2 2.94Å; N317-S319 PolarHBondContact O-N 2.94Å; N317-S319 PolarHBondContact OD1-N 3.45Å; N317-S319 PolarHBondContact OD1-OG 2.88Å; N317-S319 VanDerWaalsContact OD1-OG 3.13Å; N317-F320 PolarHBondContact OD1-N 2.89Å; N317-F321 CarbonylContact C-O 3.52Å; N317-F321 PolarHBondContact N-O 3.49Å; N317-F321 CarbonylContact O-C 3.47Å; N317-F321 PolarHBondContact O-N 3.31Å; N317-P322 WeakPolarHBondContact O-CA 3.37Å
318	D	79.6	Confident	86.8	Confident	163 Å²	163	47 Å²	47	87%	0.872	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-8.7	-172	-60.5	-23.9	0	0	0	115.4
319	S	87.3	Confident	88.4	Confident	55 Å²	55	40.5 Å²	40.5	39%	0.385	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-63	-177.5	58.2	0	0	0	0	114.2	M246 N317	M246-S319 VanDerWaalsContact CG-O 3.3Å; M246-S319 WeakPolarHBondContact CG-O 3.22Å; N317-S319 PolarHBondContact O-N 2.94Å; N317-S319 PolarHBondContact OD1-N 3.45Å; N317-S319 PolarHBondContact OD1-OG 2.88Å; N317-S319 VanDerWaalsContact OD1-OG 3.13Å
320	F	93.6	Very high	89.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-46.7	-170.1	-172	-80.8	0	0	0	110.9	L202 L203 V206 L241 S244 M246 N317	L202-F320 HydrophobicContact CB-CD2 4.1Å; L202-F320 HydrophobicContact CB-CE1 4.2Å; L202-F320 HydrophobicContact CB-CE2 3.7Å; L202-F320 HydrophobicContact CB-CZ 3.76Å; L202-F320 HydrophobicContact CD1-CD1 3.81Å; L202-F320 HydrophobicContact CD1-CE1 3.55Å; L202-F320 HydrophobicContact CD1-CG 4.45Å; L202-F320 HydrophobicContact CD1-CZ 3.95Å; L202-F320 HydrophobicContact CG-CE1 4.36Å; L202-F320 HydrophobicContact CG-CZ 4.28Å; L203-F320 HydrophobicContact CD2-CD2 4.18Å; V206-F320 HydrophobicContact CG2-CD2 4.31Å; V206-F320 HydrophobicContact CG2-CE2 3.76Å; L241-F320 HydrophobicContact CD2-CE2 4.14Å; L241-F320 HydrophobicContact CD2-CZ 4.15Å; S244-F320 VanDerWaalsContact CB-O 3.27Å; S244-F320 WeakPolarHBondContact CB-O 3.48Å; S244-F320 PolarHBondContact OG-O 2.94Å; M246-F320 HydrophobicContact CB-CD2 4.46Å; M246-F320 HydrophobicContact SD-CB 3.87Å; M246-F320 HydrophobicContact SD-CD2 4.12Å; M246-F320 HydrophobicContact SD-CG 4.48Å; N317-F320 PolarHBondContact OD1-N 2.89Å
321	F	92.2	Very high	90.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-121.9	81.2	174.5	-78.6	-51.6	0	0	0	108.9	L202 L243 V261 Y314 T316 N317 Q323 P325 L328	L202-F321 HydrophobicContact CD1-CE2 4.08Å; L243-F321 HydrophobicContact CB-CE1 4.37Å; V261-F321 HydrophobicContact CG2-CE1 4.45Å; V261-F321 HydrophobicContact CG2-CZ 3.82Å; Y314-F321 HydrophobicContact CD1-CE2 4.45Å; Y314-F321 AromaticContact CD2-CD2 3.79Å; Y314-F321 HydrophobicContact CD2-CD2 3.79Å; Y314-F321 AromaticContact CD2-CE2 3.68Å; Y314-F321 HydrophobicContact CD2-CE2 3.68Å; Y314-F321 HydrophobicContact CE2-CD2 4.41Å; Y314-F321 HydrophobicContact CE2-CE2 4.25Å; Y314-F321 HydrophobicContact CG-CD2 4.3Å; Y314-F321 AromaticContact CG-CE2 3.82Å; Y314-F321 HydrophobicContact CG-CE2 3.82Å; T316-F321 WeakPolarHBondContact CG2-O 3.36Å; N317-F321 CarbonylContact C-O 3.52Å; N317-F321 PolarHBondContact N-O 3.49Å; N317-F321 CarbonylContact O-C 3.47Å; N317-F321 PolarHBondContact O-N 3.31Å; F321-Q323 PolarHBondContact O-N 3.21Å; F321-P325 HydrophobicContact CD1-CG 4.21Å; F321-P325 HydrophobicContact CE1-CG 3.88Å; F321-P325 HydrophobicContact CZ-CG 4.04Å; F321-L328 HydrophobicContact CD1-CD1 4.09Å
322	P	91.6	Very high	91.2	Very high	56 Å²	56	43.2 Å²	43.2	36%	0.364	23%	0.23	S	C	.	.	S	Bend	trans	-61.8	-17.3	-179.8	26.2	-35.4	0	0	0	112.6	P245 N317	P245-P322 HydrophobicContact CG-CG 4.23Å; N317-P322 WeakPolarHBondContact O-CA 3.37Å
323	Q	92.3	Very high	91.6	Very high	44 Å²	44	46.5 Å²	46.5	21%	0.206	25%	0.245	C	C	.	.	S	Bend	trans	-145.6	168.4	172.2	-57.7	-176.4	2.5	0	0	108.9	F321 K327 L328 E331	F321-Q323 PolarHBondContact O-N 3.21Å; Q323-K327 HydrophobicContact CB-CB 4.37Å; Q323-K327 HydrophobicContact CB-CD 4.24Å; Q323-K327 HydrophobicContact CG-CD 4.41Å; Q323-K327 VanDerWaalsContact OE1-CG 3.22Å; Q323-L328 HydrophobicContact CB-CD2 4.13Å; Q323-L328 HydrophobicContact CB-CG 4.19Å; Q323-E331 PolarHBondContact OE1-OE2 3.45Å
324	S	92.3	Very high	91.9	Very high	36 Å²	36	47.5 Å²	47.5	25%	0.252	25%	0.249	S	C	.	.			trans	-60.3	147.2	175.5	71.7	0	0	0	0	111.4	E326 K327 L328	S324-E326 PolarHBondContact O-N 3.39Å; S324-K327 PolarHBondContact O-N 3.07Å; S324-K327 WeakPolarHBondContact OG-CB 3.33Å; S324-K327 PolarHBondContact OG-N 3.31Å; S324-L328 PolarHBondContact O-N 3.38Å
325	P	92.9	Very high	92.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-52.5	-39.6	177.5	-30.2	37.9	0	0	0	114	L243 V261 I262 Y314 F321 K327 L328 L329	L243-P325 HydrophobicContact CD1-CB 3.82Å; V261-P325 HydrophobicContact CB-CB 4.47Å; V261-P325 HydrophobicContact CG1-CB 3.88Å; V261-P325 HydrophobicContact CG2-CB 3.79Å; V261-P325 HydrophobicContact CG2-CG 3.56Å; I262-P325 HydrophobicContact CG2-CB 4.33Å; Y314-P325 HydrophobicContact CE2-CG 3.93Å; F321-P325 HydrophobicContact CD1-CG 4.21Å; F321-P325 HydrophobicContact CE1-CG 3.88Å; F321-P325 HydrophobicContact CZ-CG 4.04Å; P325-K327 VanDerWaalsContact C-N 3.31Å; P325-K327 PolarHBondContact O-N 2.85Å; P325-L328 PolarHBondContact O-N 3.02Å; P325-L329 WeakPolarHBondContact O-CG 3.33Å; P325-L329 PolarHBondContact O-N 2.99Å
326	E	92.5	Very high	92.3	Very high	54 Å²	54	53.6 Å²	53.6	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-38.1	177.5	-63.9	87.7	162.5	0	0	112.3	I262 K264 S324 T330	I262-E326 HydrophobicContact CG2-CG 4.03Å; K264-E326 IonicContact NZ-OE1 3.78Å; K264-E326 PolarHBondContact NZ-OE1 3.26Å; S324-E326 PolarHBondContact O-N 3.39Å; E326-T330 WeakPolarHBondContact O-CB 3.35Å; E326-T330 PolarHBondContact O-N 2.92Å; E326-T330 PolarHBondContact O-OG1 3.23Å
327	K	94.6	Very high	92.7	Very high	88 Å²	88	52.3 Å²	52.3	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-71.9	-43.6	178.4	-167.9	177.2	170.3	-166	0	111	Q323 S324 P325 L329 T330 E331	Q323-K327 HydrophobicContact CB-CB 4.37Å; Q323-K327 HydrophobicContact CB-CD 4.24Å; Q323-K327 HydrophobicContact CG-CD 4.41Å; Q323-K327 VanDerWaalsContact OE1-CG 3.22Å; S324-K327 PolarHBondContact O-N 3.07Å; S324-K327 WeakPolarHBondContact OG-CB 3.33Å; S324-K327 PolarHBondContact OG-N 3.31Å; P325-K327 VanDerWaalsContact C-N 3.31Å; P325-K327 PolarHBondContact O-N 2.85Å; K327-L329 VanDerWaalsContact C-N 3.26Å; K327-L329 PolarHBondContact O-N 3.25Å; K327-T330 PolarHBondContact O-N 3.13Å; K327-E331 VanDerWaalsContact CE-CD 3.43Å; K327-E331 WeakPolarHBondContact CE-OE1 3.35Å; K327-E331 HydrophobicContact CG-CG 4.22Å; K327-E331 IonicContact NZ-OE1 3.29Å; K327-E331 WeakPolarHBondContact O-CB 3.41Å; K327-E331 WeakPolarHBondContact O-CG 3.3Å; K327-E331 PolarHBondContact O-N 3.46Å
328	L	95.1	Very high	93.4	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-40.2	174.6	-67.2	172.6	0	0	0	111.8	L243 F321 Q323 S324 P325 K332 Q333	L243-L328 HydrophobicContact CB-CD1 4.01Å; L243-L328 HydrophobicContact CD1-CB 4.46Å; F321-L328 HydrophobicContact CD1-CD1 4.09Å; Q323-L328 HydrophobicContact CB-CD2 4.13Å; Q323-L328 HydrophobicContact CB-CG 4.19Å; S324-L328 PolarHBondContact O-N 3.38Å; P325-L328 PolarHBondContact O-N 3.02Å; L328-K332 WeakPolarHBondContact O-CA 3.4Å; L328-K332 PolarHBondContact O-N 2.85Å; L328-Q333 HydrophobicContact CD2-CB 3.93Å; L328-Q333 PolarHBondContact O-N 2.93Å
329	L	95.4	Very high	94.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-50.1	175.5	-75.4	165.6	0	0	0	112.7	L243 I262 P325 K327 E331 K332 F334 F425 H428	L243-L329 HydrophobicContact CD1-CD1 4.27Å; L243-L329 HydrophobicContact CD1-CD2 4.38Å; L243-L329 HydrophobicContact CD1-CG 3.93Å; L243-L329 HydrophobicContact CD2-CD2 3.76Å; L243-L329 HydrophobicContact CD2-CG 4.05Å; I262-L329 HydrophobicContact CD1-CD1 4.44Å; I262-L329 HydrophobicContact CG2-CD1 3.37Å; P325-L329 WeakPolarHBondContact O-CG 3.33Å; P325-L329 PolarHBondContact O-N 2.99Å; K327-L329 VanDerWaalsContact C-N 3.26Å; K327-L329 PolarHBondContact O-N 3.25Å; L329-E331 VanDerWaalsContact C-N 3.33Å; L329-E331 PolarHBondContact O-N 3Å; L329-K332 PolarHBondContact O-N 2.98Å; L329-K332 VanDerWaalsContact O-N 3.15Å; L329-F334 HydrophobicContact CD2-CE1 4.01Å; L329-F334 HydrophobicContact CD2-CZ 4.21Å; L329-F425 HydrophobicContact CD1-CD2 3.61Å; L329-F425 HydrophobicContact CD1-CE2 3.75Å; L329-F425 HydrophobicContact CD2-CD2 3.99Å; L329-F425 HydrophobicContact CD2-CE2 3.66Å; L329-F425 HydrophobicContact CD2-CZ 4.34Å; L329-F425 HydrophobicContact CG-CD2 4.44Å; L329-F425 HydrophobicContact CG-CE2 4.22Å; L329-H428 HydrophobicContact CB-CB 4.2Å; L329-H428 HydrophobicContact CD2-CB 3.92Å
330	T	95.3	Very high	94.9	Very high	94 Å²	94	42.3 Å²	42.3	58%	0.577	22%	0.224	S	C	*	.	H	α-helix	trans	-64.1	-39.8	-177	-56.8	0	0	0	0	111.6	E326 K327 K332	E326-T330 WeakPolarHBondContact O-CB 3.35Å; E326-T330 PolarHBondContact O-N 2.92Å; E326-T330 PolarHBondContact O-OG1 3.23Å; K327-T330 PolarHBondContact O-N 3.13Å; T330-K332 VanDerWaalsContact C-N 3.3Å
331	E	96.3	Very high	95.1	Very high	91 Å²	91	42.3 Å²	42.3	43%	0.425	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.3	178.5	-62.5	-175.2	178.1	0	0	113.1	Q323 K327 L329 Q333	Q323-E331 PolarHBondContact OE1-OE2 3.45Å; K327-E331 VanDerWaalsContact CE-CD 3.43Å; K327-E331 WeakPolarHBondContact CE-OE1 3.35Å; K327-E331 HydrophobicContact CG-CG 4.22Å; K327-E331 IonicContact NZ-OE1 3.29Å; K327-E331 WeakPolarHBondContact O-CB 3.41Å; K327-E331 WeakPolarHBondContact O-CG 3.3Å; K327-E331 PolarHBondContact O-N 3.46Å; L329-E331 VanDerWaalsContact C-N 3.33Å; L329-E331 PolarHBondContact O-N 3Å; E331-Q333 VanDerWaalsContact C-N 3.25Å; E331-Q333 HydrophobicContact CB-CG 3.85Å; E331-Q333 PolarHBondContact O-N 3.3Å; E331-Q333 PolarHBondContact OE2-NE2 2.93Å
332	K	96.4	Very high	95.4	Very high	114 Å²	114	42.3 Å²	42.3	50%	0.496	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	37.1	178.6	-54.3	174.6	-178.9	-173.8	0	113	L328 L329 T330 F334 D431 A432	L328-K332 WeakPolarHBondContact O-CA 3.4Å; L328-K332 PolarHBondContact O-N 2.85Å; L329-K332 PolarHBondContact O-N 2.98Å; L329-K332 VanDerWaalsContact O-N 3.15Å; T330-K332 VanDerWaalsContact C-N 3.3Å; K332-F334 VanDerWaalsContact C-N 3.33Å; K332-F334 PolarHBondContact O-N 2.87Å; K332-D431 WeakPolarHBondContact CE-O 3.48Å; K332-D431 PolarHBondContact NZ-O 3.48Å; K332-A432 HydrophobicContact CB-CB 4.43Å; K332-A432 HydrophobicContact CD-CB 4.37Å; K332-A432 HydrophobicContact CG-CB 4.17Å
333	Q	94.4	Very high	95.8	Very high	96 Å²	96	39.8 Å²	39.8	45%	0.449	21%	0.208	S	C	.	.			trans	-90	60.1	-177.5	-63.2	-164.4	21.1	0	0	112.2	L328 E331	L328-Q333 HydrophobicContact CD2-CB 3.93Å; L328-Q333 PolarHBondContact O-N 2.93Å; E331-Q333 VanDerWaalsContact C-N 3.25Å; E331-Q333 HydrophobicContact CB-CG 3.85Å; E331-Q333 PolarHBondContact O-N 3.3Å; E331-Q333 PolarHBondContact OE2-NE2 2.93Å
334	F	94.8	Very high	96.1	Very high	23 Å²	23	37.7 Å²	37.7	10%	0.101	20%	0.198	C	C	.	.	S	Bend	trans	-156.4	154.9	178.6	57.8	-87.9	0	0	0	110.9	V242 L243 L329 K332 L429 A432	V242-F334 HydrophobicContact CG1-CD2 4.13Å; V242-F334 WeakPolarHBondContact O-CB 3.39Å; L243-F334 HydrophobicContact CD2-CB 3.96Å; L243-F334 HydrophobicContact CD2-CD1 3.61Å; L243-F334 HydrophobicContact CD2-CD2 4.26Å; L243-F334 HydrophobicContact CD2-CE1 4.15Å; L243-F334 HydrophobicContact CD2-CG 3.68Å; L329-F334 HydrophobicContact CD2-CE1 4.01Å; L329-F334 HydrophobicContact CD2-CZ 4.21Å; K332-F334 VanDerWaalsContact C-N 3.33Å; K332-F334 PolarHBondContact O-N 2.87Å; F334-L429 HydrophobicContact CE2-CD2 3.85Å; F334-L429 HydrophobicContact CZ-CD2 4.18Å; F334-A432 HydrophobicContact CE1-CB 4.29Å; F334-A432 HydrophobicContact CE2-CB 4.01Å; F334-A432 HydrophobicContact CZ-CB 3.46Å; F334-A432 VanDerWaalsContact CZ-CB 3.46Å
335	P	92.8	Very high	96.3	Very high	55 Å²	55	37.1 Å²	37.1	36%	0.357	19%	0.192	S	C	.	.			trans	-68.5	137.8	176	28.2	-34.5	0	0	0	111.5
336	T	95.8	Very high	96.5	Very high	89 Å²	89	37.2 Å²	37.2	55%	0.546	19%	0.192	S	C	.	.			trans	-77.7	124.7	175.2	57.2	0	0	0	0	110.7	A432	T336-A432 WeakPolarHBondContact CG2-O 3.41Å
337	V	97.8	Very high	96.7	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.085	18%	0.18	C	C	.	.			trans	-132.7	152.5	171	-66	0	0	0	0	109.7	V242 F251 A254 Y339	V242-V337 HydrophobicContact CG1-CG2 4.43Å; V242-V337 HydrophobicContact CG2-CG2 4.41Å; F251-V337 HydrophobicContact CE2-CG1 4.33Å; F251-V337 HydrophobicContact CE2-CG2 4.11Å; A254-V337 HydrophobicContact CB-CG2 4.38Å; V337-Y339 PolarHBondContact O-N 3.29Å
338	P	98.8	Very high	96.6	Very high	30 Å²	30	30.4 Å²	30.4	20%	0.195	16%	0.162	C	C	.	.			trans	-54.1	134.8	166.3	-24.4	34.2	0	0	0	110.9	H252 R253 A254 P435 F503	H252-P338 WeakPolarHBondContact O-CD 3.43Å; R253-P338 WeakPolarHBondContact CA-O 3.47Å; R253-P338 HydrophobicContact CG-CB 4.3Å; R253-P338 HydrophobicContact CG-CG 4.32Å; A254-P338 PolarHBondContact N-O 2.99Å; A254-P338 VanDerWaalsContact N-O 3.08Å; P338-P435 WeakPolarHBondContact CA-O 3.43Å; P338-P435 HydrophobicContact CB-CB 4.37Å; P338-P435 HydrophobicContact CG-CG 4.33Å; P338-F503 HydrophobicContact CB-CE2 3.95Å; P338-F503 HydrophobicContact CB-CZ 3.94Å
339	Y	98.9	Very high	96.5	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.2	-174.9	-148.2	-63.4	0	0	0	111.3	S239 V242 A254 S256 V337 L341 F425 L429 P435 V436 F437	S239-Y339 WeakPolarHBondContact CA-OH 3.49Å; S239-Y339 WeakPolarHBondContact CB-OH 3.32Å; V242-Y339 HydrophobicContact CB-CE2 4.3Å; V242-Y339 HydrophobicContact CG1-CE2 4.42Å; V242-Y339 HydrophobicContact CG2-CD2 4.3Å; V242-Y339 HydrophobicContact CG2-CE2 3.68Å; A254-Y339 HydrophobicContact CB-CD2 3.74Å; A254-Y339 HydrophobicContact CB-CE1 4.45Å; A254-Y339 HydrophobicContact CB-CE2 3.63Å; A254-Y339 HydrophobicContact CB-CG 4.23Å; A254-Y339 WeakPolarHBondContact O-CA 3.44Å; S256-Y339 PolarHBondContact OG-OH 2.81Å; V337-Y339 PolarHBondContact O-N 3.29Å; Y339-L341 HydrophobicContact CD1-CB 4.07Å; Y339-L341 HydrophobicContact CD1-CD1 4.44Å; Y339-L341 HydrophobicContact CD1-CD2 4.24Å; Y339-L341 HydrophobicContact CD1-CG 4.49Å; Y339-L341 HydrophobicContact CE1-CB 3.94Å; Y339-L341 HydrophobicContact CE1-CD1 4.34Å; Y339-F425 HydrophobicContact CD2-CE1 4.48Å; Y339-F425 HydrophobicContact CE1-CE1 4.34Å; Y339-F425 AromaticContact CE2-CE1 3.77Å; Y339-F425 HydrophobicContact CE2-CE1 3.77Å; Y339-F425 HydrophobicContact CE2-CZ 4.31Å; Y339-F425 AromaticContact CZ-CE1 3.71Å; Y339-L429 HydrophobicContact CD1-CD1 3.9Å; Y339-L429 HydrophobicContact CD2-CD1 3.49Å; Y339-L429 VanDerWaalsContact CD2-CD1 3.49Å; Y339-L429 HydrophobicContact CD2-CD2 4.14Å; Y339-L429 HydrophobicContact CD2-CG 4.47Å; Y339-L429 HydrophobicContact CE1-CD1 4.43Å; Y339-L429 HydrophobicContact CE2-CD1 4.01Å; Y339-L429 HydrophobicContact CG-CD1 3.42Å; Y339-L429 VanDerWaalsContact CG-CD1 3.42Å; Y339-P435 PolarHBondContact N-O 2.75Å; Y339-V436 CarbonylContact O-C 3.57Å; Y339-V436 VanDerWaalsContact O-CA 3.31Å; Y339-V436 WeakPolarHBondContact O-CA 3.47Å; Y339-F437 PolarHBondContact O-N 2.92Å
340	L	98.9	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.7	169.4	-170.5	159.3	0	0	0	108.5	A254 I255 S256 F437 Y439 W500 F503 P509 W517	A254-L340 PolarHBondContact O-N 3.35Å; I255-L340 CarbonylContact C-O 3.41Å; I255-L340 WeakPolarHBondContact CA-O 3.5Å; I255-L340 HydrophobicContact CG1-CB 4.13Å; I255-L340 HydrophobicContact CG2-CB 4.21Å; I255-L340 HydrophobicContact CG2-CD2 3.67Å; I255-L340 HydrophobicContact CG2-CG 4.48Å; S256-L340 PolarHBondContact N-O 2.9Å; L340-F437 WeakPolarHBondContact CA-O 3.18Å; L340-F437 HydrophobicContact CG-CB 4.29Å; L340-Y439 HydrophobicContact CD2-CD1 3.69Å; L340-Y439 HydrophobicContact CD2-CE1 3.68Å; L340-W500 HydrophobicContact CD2-CH2 4.29Å; L340-W500 HydrophobicContact CD2-CZ2 3.96Å; L340-F503 HydrophobicContact CB-CD1 4.23Å; L340-F503 HydrophobicContact CB-CD2 4.34Å; L340-F503 HydrophobicContact CB-CE1 3.93Å; L340-F503 HydrophobicContact CB-CE2 4.05Å; L340-F503 HydrophobicContact CB-CG 4.41Å; L340-F503 HydrophobicContact CB-CZ 3.82Å; L340-F503 HydrophobicContact CD1-CB 4.3Å; L340-F503 HydrophobicContact CD1-CD1 4.45Å; L340-F503 HydrophobicContact CD1-CD2 4.29Å; L340-F503 HydrophobicContact CD1-CG 4.1Å; L340-P509 HydrophobicContact CD1-CB 4.36Å; L340-W517 HydrophobicContact CD1-CH2 3.65Å; L340-W517 HydrophobicContact CD1-CZ2 3.99Å; L340-W517 HydrophobicContact CD1-CZ3 4.06Å; L340-W517 HydrophobicContact CD2-CH2 3.89Å; L340-W517 HydrophobicContact CD2-CZ2 4.06Å; L340-W517 HydrophobicContact CG-CH2 3.97Å; L340-W517 HydrophobicContact CG-CZ2 3.93Å
341	L	98.8	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.8	176.5	71.3	-178.3	0	0	0	111.9	S256 V260 Y339 T422 F425 V436 F437 L438 Y439	S256-L341 WeakPolarHBondContact O-CA 3.33Å; S256-L341 WeakPolarHBondContact O-CB 3.27Å; V260-L341 HydrophobicContact CG1-CD1 4.35Å; Y339-L341 HydrophobicContact CD1-CB 4.07Å; Y339-L341 HydrophobicContact CD1-CD1 4.44Å; Y339-L341 HydrophobicContact CD1-CD2 4.24Å; Y339-L341 HydrophobicContact CD1-CG 4.49Å; Y339-L341 HydrophobicContact CE1-CB 3.94Å; Y339-L341 HydrophobicContact CE1-CD1 4.34Å; L341-T422 HydrophobicContact CB-CG2 4.37Å; L341-T422 HydrophobicContact CD1-CG2 3.89Å; L341-T422 HydrophobicContact CG-CG2 3.93Å; L341-F425 HydrophobicContact CD1-CD1 3.85Å; L341-V436 HydrophobicContact CD2-CG1 3.55Å; L341-F437 PolarHBondContact N-O 2.99Å; L341-L438 HydrophobicContact CD2-CD1 4.38Å; L341-L438 HydrophobicContact CG-CD1 4.24Å; L341-L438 CarbonylContact O-C 3.57Å; L341-L438 VanDerWaalsContact O-CA 3.25Å; L341-L438 WeakPolarHBondContact O-CA 3.43Å; L341-Y439 WeakPolarHBondContact O-CD1 3.4Å; L341-Y439 PolarHBondContact O-N 2.98Å
342	G	98.6	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-178.8	178.4	0	0	0	0	0	112.9	S256 S258 Y439	S256-G342 PolarHBondContact O-N 3.43Å; S258-G342 PolarHBondContact N-O 3.42Å; G342-Y439 VanDerWaalsContact CA-CE1 3.49Å; G342-Y439 WeakPolarHBondContact CA-O 3.15Å
343	V	98.7	Very high	95.3	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	168.1	-176.9	-67.5	0	0	0	0	109.9	E347 F418 V419 T422 Y439 E440 F441 L539	V343-E347 WeakPolarHBondContact CA-OE1 3.4Å; V343-E347 WeakPolarHBondContact CB-OE1 3.35Å; V343-F418 HydrophobicContact CG1-CB 4.29Å; V343-V419 HydrophobicContact CB-CG2 4.48Å; V343-V419 HydrophobicContact CG1-CG2 4.49Å; V343-V419 HydrophobicContact CG2-CG1 4.33Å; V343-V419 HydrophobicContact CG2-CG2 4.2Å; V343-T422 HydrophobicContact CG1-CG2 4.14Å; V343-Y439 PolarHBondContact N-O 2.87Å; V343-E440 HydrophobicContact CG2-CG 4.43Å; V343-E440 CarbonylContact O-C 3.58Å; V343-E440 VanDerWaalsContact O-CA 3.26Å; V343-E440 WeakPolarHBondContact O-CA 3.24Å; V343-F441 PolarHBondContact O-N 3.12Å; V343-L539 HydrophobicContact CG2-CD2 4.23Å
344	N	98.5	Very high	94.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	152.4	169	-56.9	-17.5	0	0	0	109.5	H346 E347 F441 A458 D459 G461 S462 E463	N344-H346 PolarHBondContact O-N 3.49Å; N344-H346 VanDerWaalsContact O-N 3.09Å; N344-E347 PolarHBondContact N-OE1 3.24Å; N344-E347 WeakPolarHBondContact O-CG 3.32Å; N344-F441 CarbonylContact C-O 3.53Å; N344-F441 WeakPolarHBondContact CA-O 3.44Å; N344-F441 WeakPolarHBondContact OD1-CB 3.49Å; N344-A458 HydrophobicContact CB-CB 4.22Å; N344-A458 VanDerWaalsContact CB-O 3.27Å; N344-A458 WeakPolarHBondContact CB-O 3.16Å; N344-D459 PolarHBondContact ND2-O 2.93Å; N344-G461 PolarHBondContact ND2-N 3.37Å; N344-S462 PolarHBondContact ND2-N 3.39Å; N344-E463 PolarHBondContact ND2-OE2 2.83Å; N344-E463 PolarHBondContact OD1-OE2 3.23Å
345	N	97.1	Very high	94.3	Very high	24 Å²	24	15.5 Å²	15.5	13%	0.128	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	2.1	-176.1	75	-1.7	0	0	0	114.9	E440 F441 Q442 K457 A458	N345-E440 HydrophobicContact CB-CG 4.01Å; N345-F441 PolarHBondContact N-O 3.43Å; N345-Q442 HydrophobicContact CB-CG 4.09Å; N345-Q442 WeakPolarHBondContact ND2-CA 3.31Å; N345-Q442 WeakPolarHBondContact ND2-CB 2.87Å; N345-K457 WeakPolarHBondContact OD1-CB 3.36Å; N345-A458 VanDerWaalsContact OD1-CB 3.28Å; N345-A458 WeakPolarHBondContact OD1-CB 3.48Å; N345-A458 PolarHBondContact OD1-N 3.38Å; N345-A458 VanDerWaalsContact OD1-N 3.14Å
346	H	96.7	Very high	93.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-153.2	50.5	-179.7	-161.5	-151.9	0	0	0	111.8	N344 F348 G349 Q410 W455 K457 A458 D459	N344-H346 PolarHBondContact O-N 3.49Å; N344-H346 VanDerWaalsContact O-N 3.09Å; H346-F348 VanDerWaalsContact C-N 3.26Å; H346-F348 PolarHBondContact O-N 3.41Å; H346-F348 VanDerWaalsContact O-N 3.17Å; H346-G349 WeakPolarHBondContact CE1-CA 3.34Å; H346-G349 WeakPolarHBondContact ND1-CA 3.41Å; H346-G349 WeakPolarHBondContact NE2-CA 3.4Å; H346-G349 WeakPolarHBondContact O-CA 3.29Å; H346-G349 PolarHBondContact O-N 3.11Å; H346-Q410 PolarHBondContact NE2-OE1 3.12Å; H346-W455 AromaticContact CE1-CZ3 3.97Å; H346-K457 HydrophobicContact CB-CB 3.83Å; H346-K457 PolarHBondContact ND1-N 3.04Å; H346-K457 VanDerWaalsContact ND1-N 3.15Å; H346-A458 CarbonylContact C-O 3.5Å; H346-A458 WeakPolarHBondContact CA-O 3.34Å; H346-A458 WeakPolarHBondContact CB-O 3.48Å; H346-A458 PolarHBondContact N-O 3.1Å; H346-D459 WeakPolarHBondContact O-CA 3.43Å
347	E	96.6	Very high	93.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-39.5	-176.7	-64.6	-74	-172.7	0	0	114.1	S258 V343 N344 G349 M352 F418 H460	S258-E347 WeakPolarHBondContact CB-OE1 3.43Å; S258-E347 PolarHBondContact OG-OE1 3.26Å; V343-E347 WeakPolarHBondContact CA-OE1 3.4Å; V343-E347 WeakPolarHBondContact CB-OE1 3.35Å; N344-E347 PolarHBondContact N-OE1 3.24Å; N344-E347 WeakPolarHBondContact O-CG 3.32Å; E347-G349 VanDerWaalsContact C-N 3.31Å; E347-M352 WeakPolarHBondContact O-CG 3.47Å; E347-F418 HydrophobicContact CB-CB 4.36Å; E347-F418 HydrophobicContact CB-CD2 3.45Å; E347-F418 VanDerWaalsContact CB-CD2 3.45Å; E347-F418 HydrophobicContact CB-CE2 4.03Å; E347-F418 HydrophobicContact CB-CG 4.18Å; E347-F418 HydrophobicContact CG-CB 3.82Å; E347-F418 HydrophobicContact CG-CD2 3.81Å; E347-F418 HydrophobicContact CG-CG 4.01Å; E347-H460 WeakPolarHBondContact O-CB 3.3Å; E347-H460 WeakPolarHBondContact OE2-CA 3.39Å; E347-H460 IonicContact OE2-CE1 3.85Å; E347-H460 IonicContact OE2-CG 3.43Å; E347-H460 IonicContact OE2-ND1 2.82Å; E347-H460 PolarHBondContact OE2-ND1 3.26Å
348	F	93.7	Very high	92.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	30.1	174.3	-91.3	-101.2	0	0	0	113	H346 M352 L353 W356 M358 Q410 L413 S414 V417 F418	H346-F348 VanDerWaalsContact C-N 3.26Å; H346-F348 PolarHBondContact O-N 3.41Å; H346-F348 VanDerWaalsContact O-N 3.17Å; F348-M352 HydrophobicContact CD1-CB 3.73Å; F348-M352 HydrophobicContact CD2-CB 4.12Å; F348-M352 HydrophobicContact CD2-CG 4.43Å; F348-M352 HydrophobicContact CE1-CB 3.63Å; F348-M352 HydrophobicContact CE2-CB 4.05Å; F348-M352 HydrophobicContact CE2-CG 4.25Å; F348-M352 HydrophobicContact CG-CB 3.98Å; F348-M352 HydrophobicContact CZ-CB 3.79Å; F348-M352 HydrophobicContact CZ-CE 4.13Å; F348-M352 HydrophobicContact CZ-CG 4.35Å; F348-L353 HydrophobicContact CD1-CD2 3.97Å; F348-L353 HydrophobicContact CD1-CG 4.32Å; F348-L353 WeakPolarHBondContact O-CD1 3.41Å; F348-L353 WeakPolarHBondContact O-CG 3.47Å; F348-W356 HydrophobicContact CE1-CD2 4.38Å; F348-W356 AromaticContact CE1-CE3 3.64Å; F348-W356 HydrophobicContact CE1-CE3 3.64Å; F348-W356 HydrophobicContact CE1-CH2 4.13Å; F348-W356 AromaticContact CE1-CZ3 3.44Å; F348-W356 HydrophobicContact CE1-CZ3 3.44Å; F348-W356 VanDerWaalsContact CE1-CZ3 3.44Å; F348-W356 AromaticContact CZ-CE3 3.96Å; F348-W356 HydrophobicContact CZ-CE3 3.96Å; F348-W356 AromaticContact CZ-CH2 3.56Å; F348-W356 HydrophobicContact CZ-CH2 3.56Å; F348-W356 HydrophobicContact CZ-CZ2 4.24Å; F348-W356 AromaticContact CZ-CZ3 3.34Å; F348-W356 HydrophobicContact CZ-CZ3 3.34Å; F348-M358 HydrophobicContact CE1-CE 4.22Å; F348-Q410 WeakPolarHBondContact CB-O 3.43Å; F348-Q410 VanDerWaalsContact O-CG 3.28Å; F348-Q410 WeakPolarHBondContact O-CG 3.1Å; F348-L413 HydrophobicContact CB-CB 4Å; F348-L413 HydrophobicContact CD1-CB 3.61Å; F348-L413 HydrophobicContact CD1-CD1 3.54Å; F348-L413 HydrophobicContact CD1-CG 4.25Å; F348-L413 HydrophobicContact CD2-CB 3.86Å; F348-L413 HydrophobicContact CE1-CB 4Å; F348-L413 HydrophobicContact CE1-CD1 3.74Å; F348-L413 HydrophobicContact CE2-CB 4.21Å; F348-L413 HydrophobicContact CG-CB 3.52Å; F348-L413 HydrophobicContact CG-CD1 4.31Å; F348-L413 HydrophobicContact CZ-CB 4.29Å; F348-S414 PolarHBondContact N-OG 2.96Å; F348-V417 HydrophobicContact CE2-CB 3.76Å; F348-V417 HydrophobicContact CE2-CG1 4Å; F348-V417 HydrophobicContact CE2-CG2 3.77Å; F348-V417 HydrophobicContact CZ-CB 4.44Å; F348-V417 HydrophobicContact CZ-CG2 4Å; F348-F418 HydrophobicContact CD2-CD2 4.12Å; F348-F418 AromaticContact CD2-CE2 3.96Å; F348-F418 HydrophobicContact CD2-CE2 3.96Å; F348-F418 AromaticContact CE2-CD2 3.9Å; F348-F418 HydrophobicContact CE2-CD2 3.9Å; F348-F418 AromaticContact CE2-CE2 3.48Å; F348-F418 HydrophobicContact CE2-CE2 3.48Å; F348-F418 VanDerWaalsContact CE2-CE2 3.48Å; F348-F418 HydrophobicContact CZ-CE2 4.48Å
349	G	91.9	Very high	91.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-48.6	-177.4	0	0	0	0	0	113.3	H346 E347 L353 Q410 W455 D459	H346-G349 WeakPolarHBondContact CE1-CA 3.34Å; H346-G349 WeakPolarHBondContact ND1-CA 3.41Å; H346-G349 WeakPolarHBondContact NE2-CA 3.4Å; H346-G349 WeakPolarHBondContact O-CA 3.29Å; H346-G349 PolarHBondContact O-N 3.11Å; E347-G349 VanDerWaalsContact C-N 3.31Å; G349-L353 WeakPolarHBondContact O-CD1 3.26Å; G349-Q410 PolarHBondContact O-NE2 3.42Å; G349-W455 WeakPolarHBondContact O-CH2 3.28Å; G349-W455 WeakPolarHBondContact O-CZ3 3.26Å; G349-D459 PolarHBondContact N-OD1 2.97Å
350	W	90.5	Very high	90.5	Very high	24 Å²	24	22.9 Å²	22.9	9%	0.091	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.9	-50.1	-179.1	-173.6	85	0	0	0	113.7	M352 L353 K354 L359 F451 K452 V456 D459	W350-M352 PolarHBondContact O-N 2.84Å; W350-L353 PolarHBondContact O-N 3.45Å; W350-K354 HydrophobicContact CE3-CD 4.36Å; W350-K354 HydrophobicContact CH2-CD 3.65Å; W350-K354 HydrophobicContact CZ2-CD 3.93Å; W350-K354 HydrophobicContact CZ3-CD 3.85Å; W350-K354 WeakPolarHBondContact O-CB 3.39Å; W350-K354 PolarHBondContact O-N 2.96Å; W350-L359 HydrophobicContact CG-CD2 4.26Å; W350-F451 HydrophobicContact CH2-CD2 4.07Å; W350-F451 WeakPolarHBondContact CZ2-O 3.35Å; W350-F451 HydrophobicContact CZ3-CD2 4.09Å; W350-F451 HydrophobicContact CZ3-CE2 4.36Å; W350-K452 HydrophobicContact CB-CD 4.19Å; W350-K452 HydrophobicContact CD2-CD 4.1Å; W350-K452 HydrophobicContact CD2-CG 4.03Å; W350-K452 HydrophobicContact CE3-CD 3.84Å; W350-K452 HydrophobicContact CE3-CG 3.93Å; W350-K452 HydrophobicContact CG-CD 4.29Å; W350-K452 HydrophobicContact CG-CG 4.45Å; W350-K452 HydrophobicContact CZ3-CD 4.46Å; W350-K452 HydrophobicContact CZ3-CG 4.23Å; W350-V456 HydrophobicContact CB-CG1 4.12Å; W350-V456 HydrophobicContact CB-CG2 3.81Å; W350-V456 HydrophobicContact CG-CG2 4.37Å; W350-D459 WeakPolarHBondContact CB-OD2 3.29Å; W350-D459 PolarHBondContact N-OD1 3.33Å
351	L	89.1	Confident	89.3	Confident	18 Å²	18	28.3 Å²	28.3	9%	0.094	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-50.5	-173.9	176.9	62.3	0	0	0	111.5	L114 L353 K354 V355 D459 H460	L114-L351 HydrophobicContact CD2-CD1 3.83Å; L114-L351 HydrophobicContact CD2-CD2 4.14Å; L114-L351 HydrophobicContact CD2-CG 4.37Å; L114-L351 HydrophobicContact CG-CD1 4.23Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 2.9Å; L351-K354 WeakPolarHBondContact O-CB 3.35Å; L351-K354 PolarHBondContact O-N 3.25Å; L351-K354 VanDerWaalsContact O-N 3.12Å; L351-V355 HydrophobicContact CD1-CG2 4.03Å; L351-V355 HydrophobicContact CG-CG2 4.33Å; L351-V355 VanDerWaalsContact O-CG2 3.29Å; L351-V355 WeakPolarHBondContact O-CG2 3.35Å; L351-V355 PolarHBondContact O-N 2.87Å; L351-D459 VanDerWaalsContact CB-OD2 3.3Å; L351-D459 WeakPolarHBondContact CB-OD2 3.49Å; L351-D459 PolarHBondContact N-OD1 2.91Å; L351-D459 PolarHBondContact N-OD2 3.49Å; L351-H460 HydrophobicContact CB-CB 4.48Å; L351-H460 HydrophobicContact CD2-CB 4.27Å; L351-H460 WeakPolarHBondContact CD2-O 3.42Å
352	M	89.8	Confident	88	Confident	12 Å²	12	28.9 Å²	28.9	6%	0.059	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-38.3	-177.8	-68.8	-56.5	-59.2	0	0	112.4	E347 F348 W350 K354 V355 W356 F418 H460	E347-M352 WeakPolarHBondContact O-CG 3.47Å; F348-M352 HydrophobicContact CD1-CB 3.73Å; F348-M352 HydrophobicContact CD2-CB 4.12Å; F348-M352 HydrophobicContact CD2-CG 4.43Å; F348-M352 HydrophobicContact CE1-CB 3.63Å; F348-M352 HydrophobicContact CE2-CB 4.05Å; F348-M352 HydrophobicContact CE2-CG 4.25Å; F348-M352 HydrophobicContact CG-CB 3.98Å; F348-M352 HydrophobicContact CZ-CB 3.79Å; F348-M352 HydrophobicContact CZ-CE 4.13Å; F348-M352 HydrophobicContact CZ-CG 4.35Å; W350-M352 PolarHBondContact O-N 2.84Å; M352-K354 VanDerWaalsContact C-N 3.3Å; M352-K354 PolarHBondContact O-N 3.33Å; M352-V355 PolarHBondContact O-N 3.31Å; M352-W356 HydrophobicContact CE-CZ2 3.92Å; M352-W356 PolarHBondContact O-N 3.06Å; M352-W356 VanDerWaalsContact O-N 3.09Å; M352-F418 HydrophobicContact CE-CE2 4.45Å; M352-F418 HydrophobicContact CE-CZ 4.19Å; M352-F418 HydrophobicContact CG-CE2 4.09Å; M352-F418 HydrophobicContact CG-CZ 4.4Å; M352-F418 HydrophobicContact SD-CZ 4.3Å; M352-H460 HydrophobicContact CG-CB 3.78Å; M352-H460 HydrophobicContact SD-CB 4.44Å; M352-H460 VanDerWaalsContact SD-CD2 3.51Å
353	L	88.5	Confident	86.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-39.5	172.9	-62.7	167.9	0	0	0	111.6	F348 G349 W350 L351 N357 M358 L359 L362 F409 Q410 L413	F348-L353 HydrophobicContact CD1-CD2 3.97Å; F348-L353 HydrophobicContact CD1-CG 4.32Å; F348-L353 WeakPolarHBondContact O-CD1 3.41Å; F348-L353 WeakPolarHBondContact O-CG 3.47Å; G349-L353 WeakPolarHBondContact O-CD1 3.26Å; W350-L353 PolarHBondContact O-N 3.45Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 2.9Å; L353-N357 PolarHBondContact O-N 2.93Å; L353-N357 VanDerWaalsContact O-N 3.17Å; L353-M358 HydrophobicContact CD2-CB 4.28Å; L353-M358 HydrophobicContact CD2-CE 3.66Å; L353-M358 PolarHBondContact O-N 3.23Å; L353-L359 HydrophobicContact CB-CD2 3.7Å; L353-L359 HydrophobicContact CB-CG 4.13Å; L353-L359 HydrophobicContact CD1-CD2 4.26Å; L353-L362 HydrophobicContact CB-CD1 4.33Å; L353-L362 HydrophobicContact CD1-CD1 3.27Å; L353-L362 HydrophobicContact CD2-CD1 4.2Å; L353-L362 HydrophobicContact CD2-CD2 4.48Å; L353-L362 HydrophobicContact CG-CD1 4.12Å; L353-F409 HydrophobicContact CD2-CE1 4.04Å; L353-Q410 HydrophobicContact CD1-CG 4.06Å; L353-Q410 VanDerWaalsContact CD1-NE2 3.33Å; L353-L413 HydrophobicContact CD2-CD1 4.44Å
354	K	86.4	Confident	85	Confident	48 Å²	48	43.6 Å²	43.6	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-48.4	176.7	-168.1	178.8	-173.2	-169	0	111.8	G110 T113 W350 L351 M352 W356 N357 L359	G110-K354 WeakPolarHBondContact O-CE 3.46Å; G110-K354 PolarHBondContact O-NZ 3.18Å; T113-K354 PolarHBondContact O-NZ 3.28Å; W350-K354 HydrophobicContact CE3-CD 4.36Å; W350-K354 HydrophobicContact CH2-CD 3.65Å; W350-K354 HydrophobicContact CZ2-CD 3.93Å; W350-K354 HydrophobicContact CZ3-CD 3.85Å; W350-K354 WeakPolarHBondContact O-CB 3.39Å; W350-K354 PolarHBondContact O-N 2.96Å; L351-K354 WeakPolarHBondContact O-CB 3.35Å; L351-K354 PolarHBondContact O-N 3.25Å; L351-K354 VanDerWaalsContact O-N 3.12Å; M352-K354 VanDerWaalsContact C-N 3.3Å; M352-K354 PolarHBondContact O-N 3.33Å; K354-W356 PolarHBondContact O-N 2.73Å; K354-N357 PolarHBondContact O-N 3.18Å; K354-L359 HydrophobicContact CB-CD1 3.57Å; K354-L359 HydrophobicContact CB-CG 4.04Å; K354-L359 HydrophobicContact CD-CD1 4.24Å; K354-L359 HydrophobicContact CG-CD1 3.72Å
355	V	82.6	Confident	83.8	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-34.7	179.6	172.4	0	0	0	0	110.9	R111 F112 L351 M352	R111-V355 VanDerWaalsContact O-CG2 3.24Å; R111-V355 WeakPolarHBondContact O-CG2 3.49Å; F112-V355 HydrophobicContact CD1-CG1 4.4Å; F112-V355 HydrophobicContact CD1-CG2 3.83Å; F112-V355 HydrophobicContact CE1-CB 4.35Å; F112-V355 HydrophobicContact CE1-CG1 3.54Å; F112-V355 HydrophobicContact CE1-CG2 3.76Å; F112-V355 HydrophobicContact CE2-CG1 4.41Å; F112-V355 HydrophobicContact CZ-CG1 3.55Å; F112-V355 HydrophobicContact CZ-CG2 4.39Å; L351-V355 HydrophobicContact CD1-CG2 4.03Å; L351-V355 HydrophobicContact CG-CG2 4.33Å; L351-V355 VanDerWaalsContact O-CG2 3.29Å; L351-V355 WeakPolarHBondContact O-CG2 3.35Å; L351-V355 PolarHBondContact O-N 2.87Å; M352-V355 PolarHBondContact O-N 3.31Å
356	W	82	Confident	82.7	Confident	65 Å²	65	45.5 Å²	45.5	25%	0.246	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	9.1	179.5	-65.4	-2.2	0	0	0	114.7	I265 F348 M352 K354 M358 F377 V417	I265-W356 HydrophobicContact CD1-CH2 3.49Å; I265-W356 VanDerWaalsContact CD1-CH2 3.49Å; I265-W356 HydrophobicContact CD1-CZ2 3.69Å; I265-W356 HydrophobicContact CG1-CH2 4.45Å; F348-W356 HydrophobicContact CE1-CD2 4.38Å; F348-W356 AromaticContact CE1-CE3 3.64Å; F348-W356 HydrophobicContact CE1-CE3 3.64Å; F348-W356 HydrophobicContact CE1-CH2 4.13Å; F348-W356 AromaticContact CE1-CZ3 3.44Å; F348-W356 HydrophobicContact CE1-CZ3 3.44Å; F348-W356 VanDerWaalsContact CE1-CZ3 3.44Å; F348-W356 AromaticContact CZ-CE3 3.96Å; F348-W356 HydrophobicContact CZ-CE3 3.96Å; F348-W356 AromaticContact CZ-CH2 3.56Å; F348-W356 HydrophobicContact CZ-CH2 3.56Å; F348-W356 HydrophobicContact CZ-CZ2 4.24Å; F348-W356 AromaticContact CZ-CZ3 3.34Å; F348-W356 HydrophobicContact CZ-CZ3 3.34Å; M352-W356 HydrophobicContact CE-CZ2 3.92Å; M352-W356 PolarHBondContact O-N 3.06Å; M352-W356 VanDerWaalsContact O-N 3.09Å; K354-W356 PolarHBondContact O-N 2.73Å; W356-M358 VanDerWaalsContact C-N 3.28Å; W356-M358 HydrophobicContact CB-CE 4.11Å; W356-M358 HydrophobicContact CB-CG 4.01Å; W356-M358 HydrophobicContact CB-SD 4.33Å; W356-M358 HydrophobicContact CE3-CE 3.67Å; W356-M358 HydrophobicContact CE3-SD 4.44Å; W356-M358 WeakPolarHBondContact O-CG 3.33Å; W356-M358 PolarHBondContact O-N 2.77Å; W356-F377 HydrophobicContact CD2-CZ 4.43Å; W356-F377 AromaticContact CE3-CE1 3.66Å; W356-F377 HydrophobicContact CE3-CE1 3.66Å; W356-F377 HydrophobicContact CE3-CE2 4.31Å; W356-F377 AromaticContact CE3-CZ 3.33Å; W356-F377 HydrophobicContact CE3-CZ 3.33Å; W356-F377 HydrophobicContact CH2-CD1 4.1Å; W356-F377 AromaticContact CH2-CE1 3.33Å; W356-F377 HydrophobicContact CH2-CE1 3.33Å; W356-F377 AromaticContact CH2-CZ 3.94Å; W356-F377 HydrophobicContact CH2-CZ 3.94Å; W356-F377 HydrophobicContact CZ2-CE1 4.39Å; W356-F377 AromaticContact CZ3-CD1 3.83Å; W356-F377 HydrophobicContact CZ3-CD1 3.83Å; W356-F377 AromaticContact CZ3-CE1 2.91Å; W356-F377 HydrophobicContact CZ3-CE1 2.91Å; W356-F377 HydrophobicContact CZ3-CE2 4.05Å; W356-F377 AromaticContact CZ3-CZ 3.05Å; W356-F377 HydrophobicContact CZ3-CZ 3.05Å; W356-V417 HydrophobicContact CH2-CG2 4.42Å
357	N	81.9	Confident	81.4	Confident	84 Å²	84	49.9 Å²	49.9	45%	0.449	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	41.1	176.5	-158	86.3	0	0	0	112.7	R111 L353 K354	R111-N357 PolarHBondContact NH2-OD1 3.04Å; L353-N357 PolarHBondContact O-N 2.93Å; L353-N357 VanDerWaalsContact O-N 3.17Å; K354-N357 PolarHBondContact O-N 3.18Å
358	M	83.1	Confident	80.5	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.059	28%	0.278	C	S	.	.			trans	-111.5	-9.1	-178.6	-56.4	-165.4	-55.7	0	0	113.4	F348 L353 W356 D360 K361 L362 I373 F377 L413	F348-M358 HydrophobicContact CE1-CE 4.22Å; L353-M358 HydrophobicContact CD2-CB 4.28Å; L353-M358 HydrophobicContact CD2-CE 3.66Å; L353-M358 PolarHBondContact O-N 3.23Å; W356-M358 VanDerWaalsContact C-N 3.28Å; W356-M358 HydrophobicContact CB-CE 4.11Å; W356-M358 HydrophobicContact CB-CG 4.01Å; W356-M358 HydrophobicContact CB-SD 4.33Å; W356-M358 HydrophobicContact CE3-CE 3.67Å; W356-M358 HydrophobicContact CE3-SD 4.44Å; W356-M358 WeakPolarHBondContact O-CG 3.33Å; W356-M358 PolarHBondContact O-N 2.77Å; M358-D360 PolarHBondContact O-N 3.24Å; M358-K361 WeakPolarHBondContact O-CB 3.16Å; M358-K361 PolarHBondContact O-N 2.97Å; M358-K361 VanDerWaalsContact O-N 3.1Å; M358-L362 WeakPolarHBondContact O-CG 3.4Å; M358-I373 HydrophobicContact SD-CG2 3.76Å; M358-F377 HydrophobicContact SD-CE2 4.4Å; M358-L413 HydrophobicContact CE-CD1 3.71Å
359	L	81.1	Confident	79.7	Confident	40 Å²	40	60.5 Å²	60.5	21%	0.209	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.7	-49.6	-178.1	-77.9	-180	0	0	0	113	W350 L353 K354 K361 L362	W350-L359 HydrophobicContact CG-CD2 4.26Å; L353-L359 HydrophobicContact CB-CD2 3.7Å; L353-L359 HydrophobicContact CB-CG 4.13Å; L353-L359 HydrophobicContact CD1-CD2 4.26Å; K354-L359 HydrophobicContact CB-CD1 3.57Å; K354-L359 HydrophobicContact CB-CG 4.04Å; K354-L359 HydrophobicContact CD-CD1 4.24Å; K354-L359 HydrophobicContact CG-CD1 3.72Å; L359-K361 PolarHBondContact O-N 2.6Å; L359-L362 HydrophobicContact CD2-CD1 4.24Å; L359-L362 WeakPolarHBondContact O-CB 3.35Å; L359-L362 PolarHBondContact O-N 2.74Å; L359-L362 VanDerWaalsContact O-N 3.08Å
360	D	76.8	Confident	79	Confident	143 Å²	143	60.6 Å²	60.6	77%	0.765	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66.5	-20.3	-177.4	-54.4	-27.9	0	0	0	112.6	M358 L362	M358-D360 PolarHBondContact O-N 3.24Å; D360-L362 PolarHBondContact O-N 2.87Å
361	K	73.4	Confident	78.4	Confident	115 Å²	115	61.5 Å²	61.5	50%	0.5	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-77	-12.1	177.9	-57.2	-174.7	179.3	-174.4	0	112.4	M358 L359 L365 I373	M358-K361 WeakPolarHBondContact O-CB 3.16Å; M358-K361 PolarHBondContact O-N 2.97Å; M358-K361 VanDerWaalsContact O-N 3.1Å; L359-K361 PolarHBondContact O-N 2.6Å; K361-L365 WeakPolarHBondContact O-CD2 3.4Å; K361-L365 VanDerWaalsContact O-CG 3.25Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; K361-I373 HydrophobicContact CB-CD1 4.14Å; K361-I373 HydrophobicContact CD-CD1 4.1Å; K361-I373 HydrophobicContact CD-CG1 4.48Å
362	L	71.3	Confident	78.2	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.058	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-86.2	-19.2	-169.4	-62.6	170.2	0	0	0	115.1	L353 M358 L359 D360 H364 L365 R406 F409	L353-L362 HydrophobicContact CB-CD1 4.33Å; L353-L362 HydrophobicContact CD1-CD1 3.27Å; L353-L362 HydrophobicContact CD2-CD1 4.2Å; L353-L362 HydrophobicContact CD2-CD2 4.48Å; L353-L362 HydrophobicContact CG-CD1 4.12Å; M358-L362 WeakPolarHBondContact O-CG 3.4Å; L359-L362 HydrophobicContact CD2-CD1 4.24Å; L359-L362 WeakPolarHBondContact O-CB 3.35Å; L359-L362 PolarHBondContact O-N 2.74Å; L359-L362 VanDerWaalsContact O-N 3.08Å; D360-L362 PolarHBondContact O-N 2.87Å; L362-H364 VanDerWaalsContact C-N 3.28Å; L362-H364 PolarHBondContact O-N 3.45Å; L362-L365 HydrophobicContact CB-CD1 4.4Å; L362-L365 HydrophobicContact CD2-CD1 3.51Å; L362-R406 HydrophobicContact CB-CG 4.31Å; L362-R406 HydrophobicContact CD2-CG 4.44Å; L362-F409 HydrophobicContact CD2-CD1 3.64Å; L362-F409 HydrophobicContact CD2-CE1 3.72Å
363	E	65.3	Low	77.8	Confident	148 Å²	148	67.7 Å²	67.7	69%	0.692	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.1	-173	-66	-169	159.5	0	0	113.1
364	H	68.8	Low	77.7	Confident	164 Å²	164	67.7 Å²	67.7	76%	0.759	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	35.4	-173.6	-59.6	-41.8	0	0	0	113.7	L362 S366	L362-H364 VanDerWaalsContact C-N 3.28Å; L362-H364 PolarHBondContact O-N 3.45Å; H364-S366 PolarHBondContact O-N 3.18Å
365	L	73	Confident	77.7	Confident	19 Å²	19	71.1 Å²	71.1	10%	0.099	34%	0.341	C	S	.	.			trans	-68	117.5	-179.5	-70.2	168.3	0	0	0	112.1	K361 L362 D369 L370 I373 T405 F409	K361-L365 WeakPolarHBondContact O-CD2 3.4Å; K361-L365 VanDerWaalsContact O-CG 3.25Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; L362-L365 HydrophobicContact CB-CD1 4.4Å; L362-L365 HydrophobicContact CD2-CD1 3.51Å; L365-D369 HydrophobicContact CD2-CB 3.8Å; L365-L370 HydrophobicContact CB-CD2 4.18Å; L365-L370 HydrophobicContact CB-CG 4.29Å; L365-L370 HydrophobicContact CD1-CD2 3.52Å; L365-L370 HydrophobicContact CD1-CG 4.47Å; L365-L370 HydrophobicContact CD2-CD2 4.07Å; L365-L370 HydrophobicContact CG-CD2 4.12Å; L365-I373 HydrophobicContact CD2-CD1 3.56Å; L365-T405 HydrophobicContact CB-CG2 4.28Å; L365-F409 HydrophobicContact CD1-CD1 4.32Å
366	S	73.8	Confident	77.8	Confident	46 Å²	46	74.4 Å²	74.4	32%	0.322	36%	0.363	S	S	.	.			trans	-79.7	167	156.5	71.8	0	0	0	0	110.8	H364 E368 D369 L370	H364-S366 PolarHBondContact O-N 3.18Å; S366-E368 PolarHBondContact O-N 2.97Å; S366-E368 PolarHBondContact OG-N 2.87Å; S366-D369 VanDerWaalsContact CB-OD2 3.29Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.29Å; S366-D369 PolarHBondContact O-N 3.49Å; S366-D369 PolarHBondContact OG-N 3.27Å; S366-D369 VanDerWaalsContact OG-N 3.13Å; S366-D369 PolarHBondContact OG-OD2 2.87Å; S366-L370 WeakPolarHBondContact O-CG 3.34Å; S366-L370 PolarHBondContact O-N 2.74Å; S366-L370 VanDerWaalsContact O-N 3.07Å
367	Q	70.1	Confident	78	Confident	93 Å²	93	72.6 Å²	72.6	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-30.9	171.9	-176.2	174	0.2	0	0	112.2	L370 L371 I392 D393 L396	Q367-L370 PolarHBondContact O-N 2.93Å; Q367-L371 PolarHBondContact O-N 3.33Å; Q367-L371 VanDerWaalsContact O-N 3.15Å; Q367-I392 HydrophobicContact CG-CG2 4.42Å; Q367-D393 PolarHBondContact NE2-OD1 3Å; Q367-D393 VanDerWaalsContact NE2-OD1 3.15Å; Q367-L396 HydrophobicContact CB-CD1 4.44Å; Q367-L396 HydrophobicContact CG-CD1 3.88Å
368	E	76.8	Confident	78.3	Confident	162 Å²	162	68.6 Å²	68.6	76%	0.757	34%	0.335	S	S	*	.	H	α-helix	trans	-69.3	-43.7	176.6	-67.7	173.3	178.6	0	0	111.2	S366 L370 L371 E372	S366-E368 PolarHBondContact O-N 2.97Å; S366-E368 PolarHBondContact OG-N 2.87Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.12Å; E368-L371 PolarHBondContact O-N 3.22Å; E368-E372 PolarHBondContact O-N 3.11Å
369	D	78.1	Confident	78.4	Confident	60 Å²	60	70.3 Å²	70.3	32%	0.321	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-40.4	175.1	-60	-53.8	0	0	0	111.1	L365 S366 L371 E372 I373	L365-D369 HydrophobicContact CD2-CB 3.8Å; S366-D369 VanDerWaalsContact CB-OD2 3.29Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.29Å; S366-D369 PolarHBondContact O-N 3.49Å; S366-D369 PolarHBondContact OG-N 3.27Å; S366-D369 VanDerWaalsContact OG-N 3.13Å; S366-D369 PolarHBondContact OG-OD2 2.87Å; D369-L371 PolarHBondContact O-N 3.17Å; D369-E372 PolarHBondContact O-N 2.84Å; D369-I373 HydrophobicContact CB-CD1 4.49Å; D369-I373 WeakPolarHBondContact O-CB 3.49Å; D369-I373 WeakPolarHBondContact O-CD1 3.37Å; D369-I373 WeakPolarHBondContact O-CG1 3.38Å; D369-I373 PolarHBondContact O-N 3.4Å
370	L	77.1	Confident	78.4	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-45.7	176.1	-74.6	-173.6	0	0	0	112.4	L365 S366 Q367 E368 S374 L396 T405 F409	L365-L370 HydrophobicContact CB-CD2 4.18Å; L365-L370 HydrophobicContact CB-CG 4.29Å; L365-L370 HydrophobicContact CD1-CD2 3.52Å; L365-L370 HydrophobicContact CD1-CG 4.47Å; L365-L370 HydrophobicContact CD2-CD2 4.07Å; L365-L370 HydrophobicContact CG-CD2 4.12Å; S366-L370 WeakPolarHBondContact O-CG 3.34Å; S366-L370 PolarHBondContact O-N 2.74Å; S366-L370 VanDerWaalsContact O-N 3.07Å; Q367-L370 PolarHBondContact O-N 2.93Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.12Å; L370-S374 WeakPolarHBondContact O-CB 3.46Å; L370-S374 PolarHBondContact O-N 2.76Å; L370-S374 PolarHBondContact O-OG 2.87Å; L370-L396 HydrophobicContact CD1-CD1 3.47Å; L370-L396 VanDerWaalsContact CD1-CD1 3.47Å; L370-L396 HydrophobicContact CD1-CD2 3.67Å; L370-L396 HydrophobicContact CD1-CG 4.07Å; L370-T405 HydrophobicContact CD1-CG2 3.45Å; L370-T405 VanDerWaalsContact CD1-CG2 3.45Å; L370-T405 HydrophobicContact CG-CG2 4.23Å; L370-F409 HydrophobicContact CD1-CB 4.47Å; L370-F409 HydrophobicContact CD2-CB 3.41Å; L370-F409 VanDerWaalsContact CD2-CB 3.41Å; L370-F409 HydrophobicContact CD2-CD1 4.19Å; L370-F409 HydrophobicContact CD2-CD2 3.4Å; L370-F409 VanDerWaalsContact CD2-CD2 3.4Å; L370-F409 HydrophobicContact CD2-CE2 4.16Å; L370-F409 HydrophobicContact CD2-CG 3.39Å
371	L	78.4	Confident	78.6	Confident	43 Å²	43	67.3 Å²	67.3	23%	0.225	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-42.3	177.6	-179	63.8	0	0	0	110.9	Q367 E368 D369 S374 R375 M388 I392	Q367-L371 PolarHBondContact O-N 3.33Å; Q367-L371 VanDerWaalsContact O-N 3.15Å; E368-L371 PolarHBondContact O-N 3.22Å; D369-L371 PolarHBondContact O-N 3.17Å; L371-S374 PolarHBondContact O-N 3.43Å; L371-R375 VanDerWaalsContact O-CB 3.3Å; L371-R375 WeakPolarHBondContact O-CB 3.16Å; L371-R375 PolarHBondContact O-N 3.17Å; L371-M388 HydrophobicContact CD1-CB 3.94Å; L371-I392 HydrophobicContact CB-CG1 4.4Å; L371-I392 HydrophobicContact CD1-CG1 3.72Å
372	E	84.3	Confident	79	Confident	136 Å²	136	67.1 Å²	67.1	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-61.5	-48.1	178.3	-166.8	-171.7	162.4	0	0	111.6	E368 D369 R375	E368-E372 PolarHBondContact O-N 3.11Å; D369-E372 PolarHBondContact O-N 2.84Å; E372-R375 PolarHBondContact O-N 3.43Å
373	I	81.8	Confident	79.7	Confident	24 Å²	24	67 Å²	67	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-70.4	-34.1	-178.9	-61.6	164	0	0	0	111.2	M358 K361 L365 D369 P376 F377 F409	M358-I373 HydrophobicContact SD-CG2 3.76Å; K361-I373 HydrophobicContact CB-CD1 4.14Å; K361-I373 HydrophobicContact CD-CD1 4.1Å; K361-I373 HydrophobicContact CD-CG1 4.48Å; L365-I373 HydrophobicContact CD2-CD1 3.56Å; D369-I373 HydrophobicContact CB-CD1 4.49Å; D369-I373 WeakPolarHBondContact O-CB 3.49Å; D369-I373 WeakPolarHBondContact O-CD1 3.37Å; D369-I373 WeakPolarHBondContact O-CG1 3.38Å; D369-I373 PolarHBondContact O-N 3.4Å; I373-P376 WeakPolarHBondContact O-CD 3.32Å; I373-F377 WeakPolarHBondContact O-CD2 3.42Å; I373-F377 WeakPolarHBondContact O-CE2 3.33Å; I373-F409 HydrophobicContact CB-CE2 4.38Å; I373-F409 HydrophobicContact CB-CZ 4.27Å; I373-F409 HydrophobicContact CG2-CE2 4.03Å; I373-F409 HydrophobicContact CG2-CZ 3.51Å
374	S	85.3	Confident	80.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-77.9	-24.8	179.4	-56.5	0	0	0	0	113.2	L370 L371 F377 L378 F409	L370-S374 WeakPolarHBondContact O-CB 3.46Å; L370-S374 PolarHBondContact O-N 2.76Å; L370-S374 PolarHBondContact O-OG 2.87Å; L371-S374 PolarHBondContact O-N 3.43Å; S374-F377 WeakPolarHBondContact O-CB 3.08Å; S374-F377 PolarHBondContact O-N 3.33Å; S374-L378 WeakPolarHBondContact O-CG 3.38Å; S374-L378 PolarHBondContact O-N 3.26Å; S374-F409 WeakPolarHBondContact OG-CE2 3.46Å
375	R	86.6	Confident	81.7	Confident	119 Å²	119	56.5 Å²	56.5	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-51.6	-45.3	-174.1	179.5	-175.9	-61.1	-109.1	1.7	114	L371 E372 F377 L378 A379 M388	L371-R375 VanDerWaalsContact O-CB 3.3Å; L371-R375 WeakPolarHBondContact O-CB 3.16Å; L371-R375 PolarHBondContact O-N 3.17Å; E372-R375 PolarHBondContact O-N 3.43Å; R375-F377 VanDerWaalsContact C-N 3.31Å; R375-F377 PolarHBondContact O-N 3.48Å; R375-L378 PolarHBondContact O-N 3.21Å; R375-A379 VanDerWaalsContact O-CB 3.29Å; R375-A379 WeakPolarHBondContact O-CB 2.98Å; R375-A379 PolarHBondContact O-N 2.6Å; R375-M388 HydrophobicContact CB-SD 4.27Å; R375-M388 HydrophobicContact CG-CE 4.37Å; R375-M388 HydrophobicContact CG-SD 3.77Å
376	P	85.6	Confident	82.4	Confident	76 Å²	76	60.9 Å²	60.9	49%	0.494	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-38.6	176.9	-23	35	0	0	0	112.8	I373 A379 L380	I373-P376 WeakPolarHBondContact O-CD 3.32Å; P376-A379 PolarHBondContact O-N 2.91Å; P376-L380 WeakPolarHBondContact O-CG 3.41Å; P376-L380 PolarHBondContact O-N 3.47Å
377	F	85.2	Confident	83.2	Confident	27 Å²	27	59.4 Å²	59.4	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-70.7	-41.7	178.7	-57.3	-67.5	0	0	0	112	W356 M358 I373 S374 R375 A379 L380 M381 L413	W356-F377 HydrophobicContact CD2-CZ 4.43Å; W356-F377 AromaticContact CE3-CE1 3.66Å; W356-F377 HydrophobicContact CE3-CE1 3.66Å; W356-F377 HydrophobicContact CE3-CE2 4.31Å; W356-F377 AromaticContact CE3-CZ 3.33Å; W356-F377 HydrophobicContact CE3-CZ 3.33Å; W356-F377 HydrophobicContact CH2-CD1 4.1Å; W356-F377 AromaticContact CH2-CE1 3.33Å; W356-F377 HydrophobicContact CH2-CE1 3.33Å; W356-F377 AromaticContact CH2-CZ 3.94Å; W356-F377 HydrophobicContact CH2-CZ 3.94Å; W356-F377 HydrophobicContact CZ2-CE1 4.39Å; W356-F377 AromaticContact CZ3-CD1 3.83Å; W356-F377 HydrophobicContact CZ3-CD1 3.83Å; W356-F377 AromaticContact CZ3-CE1 2.91Å; W356-F377 HydrophobicContact CZ3-CE1 2.91Å; W356-F377 HydrophobicContact CZ3-CE2 4.05Å; W356-F377 AromaticContact CZ3-CZ 3.05Å; W356-F377 HydrophobicContact CZ3-CZ 3.05Å; M358-F377 HydrophobicContact SD-CE2 4.4Å; I373-F377 WeakPolarHBondContact O-CD2 3.42Å; I373-F377 WeakPolarHBondContact O-CE2 3.33Å; S374-F377 WeakPolarHBondContact O-CB 3.08Å; S374-F377 PolarHBondContact O-N 3.33Å; R375-F377 VanDerWaalsContact C-N 3.31Å; R375-F377 PolarHBondContact O-N 3.48Å; F377-A379 VanDerWaalsContact C-N 3.3Å; F377-A379 PolarHBondContact O-N 3.06Å; F377-L380 HydrophobicContact CD1-CD1 4.4Å; F377-L380 WeakPolarHBondContact O-CB 3.2Å; F377-L380 PolarHBondContact O-N 3.24Å; F377-M381 PolarHBondContact O-N 3.44Å; F377-L413 HydrophobicContact CB-CD2 4.27Å; F377-L413 HydrophobicContact CD2-CD2 3.62Å; F377-L413 HydrophobicContact CE2-CD2 4.2Å; F377-L413 HydrophobicContact CG-CD2 3.92Å
378	L	87.7	Confident	84.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-36.4	175.2	-60.5	173.1	0	0	0	111	S374 R375 L380 M381 M383 M388 V391 I392 I416 W547	S374-L378 WeakPolarHBondContact O-CG 3.38Å; S374-L378 PolarHBondContact O-N 3.26Å; R375-L378 PolarHBondContact O-N 3.21Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 3.1Å; L378-M381 WeakPolarHBondContact O-CB 3.17Å; L378-M381 PolarHBondContact O-N 3.37Å; L378-M381 VanDerWaalsContact O-N 3.12Å; L378-M383 HydrophobicContact CB-CB 4.36Å; L378-M383 HydrophobicContact CB-CE 4.05Å; L378-M383 HydrophobicContact CB-SD 4.03Å; L378-M383 HydrophobicContact CD1-SD 4.45Å; L378-M383 HydrophobicContact CD2-CE 3.44Å; L378-M383 VanDerWaalsContact CD2-CE 3.44Å; L378-M383 HydrophobicContact CD2-SD 3.91Å; L378-M383 HydrophobicContact CG-CE 4.3Å; L378-M383 HydrophobicContact CG-SD 4.34Å; L378-M383 WeakPolarHBondContact O-CB 3.46Å; L378-M383 PolarHBondContact O-N 3.21Å; L378-M388 HydrophobicContact CB-CE 3.99Å; L378-M388 HydrophobicContact CB-CG 3.89Å; L378-M388 HydrophobicContact CB-SD 3.93Å; L378-M388 HydrophobicContact CD1-CB 3.7Å; L378-M388 HydrophobicContact CD1-CG 3.89Å; L378-M388 HydrophobicContact CD1-SD 4.3Å; L378-V391 HydrophobicContact CD2-CB 4.26Å; L378-V391 HydrophobicContact CD2-CG1 3.82Å; L378-I392 HydrophobicContact CD1-CD1 4.25Å; L378-I416 HydrophobicContact CD2-CD1 3.62Å; L378-W547 HydrophobicContact CD2-CH2 4.41Å
379	A	86.4	Confident	84.6	Confident	47 Å²	47	49.8 Å²	49.8	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-35.6	173.4	0	0	0	0	0	112.4	R375 P376 F377 M381 D382 M388	R375-A379 VanDerWaalsContact O-CB 3.29Å; R375-A379 WeakPolarHBondContact O-CB 2.98Å; R375-A379 PolarHBondContact O-N 2.6Å; P376-A379 PolarHBondContact O-N 2.91Å; F377-A379 VanDerWaalsContact C-N 3.3Å; F377-A379 PolarHBondContact O-N 3.06Å; A379-M381 PolarHBondContact O-N 2.85Å; A379-D382 WeakPolarHBondContact O-CA 3.12Å; A379-D382 PolarHBondContact O-N 2.99Å; A379-M388 HydrophobicContact CB-CE 4.06Å
380	L	80.3	Confident	85	Confident	62 Å²	62	48.3 Å²	48.3	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-25.1	173.1	-72.9	171.1	0	0	0	112.8	K264 P376 F377 L378 D382	K264-L380 HydrophobicContact CB-CB 4.46Å; P376-L380 WeakPolarHBondContact O-CG 3.41Å; P376-L380 PolarHBondContact O-N 3.47Å; F377-L380 HydrophobicContact CD1-CD1 4.4Å; F377-L380 WeakPolarHBondContact O-CB 3.2Å; F377-L380 PolarHBondContact O-N 3.24Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 3.1Å; L380-D382 PolarHBondContact O-N 2.96Å
381	M	80.8	Confident	85.6	Confident	59 Å²	59	48.2 Å²	48.2	29%	0.291	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	13.5	173.1	-55.9	-174.9	80.3	0	0	113.2	F377 L378 A379 M383 I416 W547	F377-M381 PolarHBondContact O-N 3.44Å; L378-M381 WeakPolarHBondContact O-CB 3.17Å; L378-M381 PolarHBondContact O-N 3.37Å; L378-M381 VanDerWaalsContact O-N 3.12Å; A379-M381 PolarHBondContact O-N 2.85Å; M381-M383 HydrophobicContact CB-CE 4.4Å; M381-M383 PolarHBondContact O-N 3.17Å; M381-M383 HydrophobicContact SD-CE 4.37Å; M381-I416 HydrophobicContact CG-CG2 4.16Å; M381-I416 HydrophobicContact SD-CB 4.12Å; M381-I416 HydrophobicContact SD-CD1 4.16Å; M381-I416 HydrophobicContact SD-CG1 3.7Å; M381-I416 HydrophobicContact SD-CG2 3.56Å; M381-I416 VanDerWaalsContact SD-CG2 3.56Å; M381-W547 HydrophobicContact CE-CE3 3.82Å; M381-W547 HydrophobicContact CE-CH2 4.31Å; M381-W547 HydrophobicContact CE-CZ3 3.57Å; M381-W547 HydrophobicContact SD-CE3 4.49Å; M381-W547 HydrophobicContact SD-CH2 3.97Å; M381-W547 HydrophobicContact SD-CZ3 3.65Å
382	D	82.8	Confident	86	Confident	110 Å²	110	46.4 Å²	46.4	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	32.7	-178.8	-60.9	-59.8	0	0	0	112.7	K267 A379 L380	K267-D382 IonicContact NZ-OD1 2.64Å; K267-D382 PolarHBondContact NZ-OD1 2.75Å; K267-D382 IonicContact NZ-OD2 3.49Å; K267-D382 PolarHBondContact NZ-OD2 3.37Å; A379-D382 WeakPolarHBondContact O-CA 3.12Å; A379-D382 PolarHBondContact O-N 2.99Å; L380-D382 PolarHBondContact O-N 2.96Å
383	M	86.1	Confident	86.2	Confident	9 Å²	9	44 Å²	44	4%	0.044	24%	0.24	C	C	.	.			trans	-81.9	130.9	-176.6	-160.3	177.6	-54.5	0	0	111.8	L378 M381 I387 M388 V391 W547 L551	L378-M383 HydrophobicContact CB-CB 4.36Å; L378-M383 HydrophobicContact CB-CE 4.05Å; L378-M383 HydrophobicContact CB-SD 4.03Å; L378-M383 HydrophobicContact CD1-SD 4.45Å; L378-M383 HydrophobicContact CD2-CE 3.44Å; L378-M383 VanDerWaalsContact CD2-CE 3.44Å; L378-M383 HydrophobicContact CD2-SD 3.91Å; L378-M383 HydrophobicContact CG-CE 4.3Å; L378-M383 HydrophobicContact CG-SD 4.34Å; L378-M383 WeakPolarHBondContact O-CB 3.46Å; L378-M383 PolarHBondContact O-N 3.21Å; M381-M383 HydrophobicContact CB-CE 4.4Å; M381-M383 PolarHBondContact O-N 3.17Å; M381-M383 HydrophobicContact SD-CE 4.37Å; M383-I387 HydrophobicContact CG-CG2 4.48Å; M383-M388 HydrophobicContact CB-CE 4.37Å; M383-M388 HydrophobicContact CB-CG 4.41Å; M383-M388 HydrophobicContact CG-CG 4.18Å; M383-M388 WeakPolarHBondContact O-CE 3.43Å; M383-M388 HydrophobicContact SD-CB 4.45Å; M383-M388 HydrophobicContact SD-CG 4Å; M383-V391 HydrophobicContact CE-CG2 3.77Å; M383-V391 HydrophobicContact SD-CB 4.26Å; M383-V391 HydrophobicContact SD-CG2 3.43Å; M383-V391 WeakPolarHBondContact SD-CG2 3.36Å; M383-W547 HydrophobicContact CE-CH2 4.38Å; M383-W547 HydrophobicContact CE-CZ3 3.94Å; M383-L551 HydrophobicContact CE-CD2 4.02Å
384	P	88.4	Confident	86.6	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.091	25%	0.251	C	S	.	.			trans	-61.2	136.6	173.3	-23.5	33.8	0	0	0	111.7	E386 I387 M388 I555 W558	P384-E386 PolarHBondContact O-N 2.84Å; P384-E386 VanDerWaalsContact O-N 3.12Å; P384-I387 HydrophobicContact CB-CB 4.47Å; P384-I387 HydrophobicContact CB-CG1 4.19Å; P384-I387 HydrophobicContact CG-CG1 4.4Å; P384-I387 PolarHBondContact O-N 2.7Å; P384-M388 PolarHBondContact O-N 3.26Å; P384-I555 HydrophobicContact CG-CG2 4.32Å; P384-W558 HydrophobicContact CB-CD2 4.42Å; P384-W558 HydrophobicContact CB-CE3 4.12Å; P384-W558 HydrophobicContact CB-CH2 3.85Å; P384-W558 HydrophobicContact CB-CZ2 4.14Å; P384-W558 HydrophobicContact CB-CZ3 3.82Å; P384-W558 HydrophobicContact CG-CE3 3.95Å; P384-W558 HydrophobicContact CG-CH2 4.31Å; P384-W558 HydrophobicContact CG-CZ3 3.78Å
385	P	87.4	Confident	86.8	Confident	77 Å²	77	47 Å²	47	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-52.6	-35.5	-179.4	-28.6	35.7	0	0	0	114.4	I387 M388	P385-I387 VanDerWaalsContact C-N 3.26Å; P385-I387 PolarHBondContact O-N 3.38Å; P385-M388 PolarHBondContact O-N 2.8Å
386	E	87.7	Confident	86.7	Confident	112 Å²	112	42.2 Å²	42.2	52%	0.523	24%	0.236	S	C	.	.	H	α-helix	trans	-72.8	-16	-179.5	-61.5	84.9	167.3	0	0	113.7	P384 W558	P384-E386 PolarHBondContact O-N 2.84Å; P384-E386 VanDerWaalsContact O-N 3.12Å; E386-W558 HydrophobicContact CG-CZ2 4.46Å; E386-W558 WeakPolarHBondContact OE2-CZ2 3.24Å
387	I	89.8	Confident	86.2	Confident	14 Å²	14	45 Å²	45	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-99.1	-18.8	178.6	-60.4	-65.8	0	0	0	111.4	M383 P384 P385 S389 T390 L551 I555 W558	M383-I387 HydrophobicContact CG-CG2 4.48Å; P384-I387 HydrophobicContact CB-CB 4.47Å; P384-I387 HydrophobicContact CB-CG1 4.19Å; P384-I387 HydrophobicContact CG-CG1 4.4Å; P384-I387 PolarHBondContact O-N 2.7Å; P385-I387 VanDerWaalsContact C-N 3.26Å; P385-I387 PolarHBondContact O-N 3.38Å; I387-S389 VanDerWaalsContact C-N 3.27Å; I387-S389 PolarHBondContact O-N 2.88Å; I387-T390 VanDerWaalsContact O-CB 3.23Å; I387-T390 WeakPolarHBondContact O-CB 3.25Å; I387-T390 PolarHBondContact O-N 3.32Å; I387-L551 HydrophobicContact CG2-CD1 3.7Å; I387-I555 HydrophobicContact CG2-CG1 4.01Å; I387-W558 HydrophobicContact CD1-CB 3.83Å; I387-W558 HydrophobicContact CD1-CG 3.95Å; I387-W558 HydrophobicContact CG1-CB 4.24Å; I387-W558 HydrophobicContact CG1-CD2 4.5Å; I387-W558 HydrophobicContact CG1-CG 4.08Å
388	M	89.7	Confident	85.3	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-55.2	-39.2	-177.7	-68.8	-175.2	-179	0	0	113.2	L371 R375 L378 A379 M383 P384 P385 T390 V391 I392	L371-M388 HydrophobicContact CD1-CB 3.94Å; R375-M388 HydrophobicContact CB-SD 4.27Å; R375-M388 HydrophobicContact CG-CE 4.37Å; R375-M388 HydrophobicContact CG-SD 3.77Å; L378-M388 HydrophobicContact CB-CE 3.99Å; L378-M388 HydrophobicContact CB-CG 3.89Å; L378-M388 HydrophobicContact CB-SD 3.93Å; L378-M388 HydrophobicContact CD1-CB 3.7Å; L378-M388 HydrophobicContact CD1-CG 3.89Å; L378-M388 HydrophobicContact CD1-SD 4.3Å; A379-M388 HydrophobicContact CB-CE 4.06Å; M383-M388 HydrophobicContact CB-CE 4.37Å; M383-M388 HydrophobicContact CB-CG 4.41Å; M383-M388 HydrophobicContact CG-CG 4.18Å; M383-M388 WeakPolarHBondContact O-CE 3.43Å; M383-M388 HydrophobicContact SD-CB 4.45Å; M383-M388 HydrophobicContact SD-CG 4Å; P384-M388 PolarHBondContact O-N 3.26Å; P385-M388 PolarHBondContact O-N 2.8Å; M388-T390 VanDerWaalsContact C-N 3.26Å; M388-T390 PolarHBondContact O-N 3.3Å; M388-V391 WeakPolarHBondContact O-CB 3.45Å; M388-V391 PolarHBondContact O-N 2.87Å; M388-V391 VanDerWaalsContact O-N 3.1Å; M388-I392 PolarHBondContact O-N 3.1Å
389	S	87.1	Confident	84.2	Confident	49 Å²	49	55.3 Å²	55.3	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-34.9	176.9	56.4	0	0	0	0	112.7	I387 V391 I392 D393	I387-S389 VanDerWaalsContact C-N 3.27Å; I387-S389 PolarHBondContact O-N 2.88Å; S389-V391 PolarHBondContact O-N 3.02Å; S389-I392 WeakPolarHBondContact O-CB 3.38Å; S389-I392 PolarHBondContact O-N 2.72Å; S389-I392 VanDerWaalsContact O-N 3.08Å; S389-D393 PolarHBondContact O-N 2.68Å
390	T	87.6	Confident	83.7	Confident	29 Å²	29	55 Å²	55	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-31.5	177	-61.4	0	0	0	0	112.2	I387 M388 E394 K554	I387-T390 VanDerWaalsContact O-CB 3.23Å; I387-T390 WeakPolarHBondContact O-CB 3.25Å; I387-T390 PolarHBondContact O-N 3.32Å; M388-T390 VanDerWaalsContact C-N 3.26Å; M388-T390 PolarHBondContact O-N 3.3Å; T390-E394 PolarHBondContact O-N 3.47Å; T390-K554 HydrophobicContact CG2-CD 3.65Å
391	V	89.6	Confident	83.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-73.1	-40.8	174.9	176.9	0	0	0	0	110.6	L378 M383 M388 S389 D393 E394 Y395 L412 F546 W547 L551	L378-V391 HydrophobicContact CD2-CB 4.26Å; L378-V391 HydrophobicContact CD2-CG1 3.82Å; M383-V391 HydrophobicContact CE-CG2 3.77Å; M383-V391 HydrophobicContact SD-CB 4.26Å; M383-V391 HydrophobicContact SD-CG2 3.43Å; M383-V391 WeakPolarHBondContact SD-CG2 3.36Å; M388-V391 WeakPolarHBondContact O-CB 3.45Å; M388-V391 PolarHBondContact O-N 2.87Å; M388-V391 VanDerWaalsContact O-N 3.1Å; S389-V391 PolarHBondContact O-N 3.02Å; V391-D393 VanDerWaalsContact C-N 3.34Å; V391-D393 PolarHBondContact O-N 3.07Å; V391-E394 WeakPolarHBondContact O-CB 3.36Å; V391-E394 PolarHBondContact O-N 3.08Å; V391-Y395 WeakPolarHBondContact O-CD2 3.14Å; V391-L412 HydrophobicContact CG1-CD1 3.63Å; V391-F546 HydrophobicContact CB-CZ 4.45Å; V391-F546 HydrophobicContact CG1-CE1 4.36Å; V391-F546 HydrophobicContact CG2-CE1 4.12Å; V391-F546 HydrophobicContact CG2-CZ 3.99Å; V391-W547 HydrophobicContact CG1-CH2 3.49Å; V391-W547 VanDerWaalsContact CG1-CH2 3.49Å; V391-W547 HydrophobicContact CG1-CZ2 3.86Å; V391-W547 HydrophobicContact CG1-CZ3 4.32Å; V391-L551 HydrophobicContact CG2-CD1 3.7Å; V391-L551 HydrophobicContact CG2-CD2 3.9Å; V391-L551 HydrophobicContact CG2-CG 4.45Å
392	I	86.9	Confident	84	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-44.7	175.6	-58.6	-51.7	0	0	0	110.9	Q367 L371 L378 M388 S389 E394 Y395 L396 L412	Q367-I392 HydrophobicContact CG-CG2 4.42Å; L371-I392 HydrophobicContact CB-CG1 4.4Å; L371-I392 HydrophobicContact CD1-CG1 3.72Å; L378-I392 HydrophobicContact CD1-CD1 4.25Å; M388-I392 PolarHBondContact O-N 3.1Å; S389-I392 WeakPolarHBondContact O-CB 3.38Å; S389-I392 PolarHBondContact O-N 2.72Å; S389-I392 VanDerWaalsContact O-N 3.08Å; I392-E394 PolarHBondContact O-N 2.92Å; I392-Y395 PolarHBondContact O-N 3.19Å; I392-L396 HydrophobicContact CG2-CD1 3.37Å; I392-L396 HydrophobicContact CG2-CG 4.18Å; I392-L396 PolarHBondContact O-N 2.95Å; I392-L412 HydrophobicContact CD1-CD2 3.41Å; I392-L412 VanDerWaalsContact CD1-CD2 3.41Å
393	D	87.7	Confident	84.1	Confident	87 Å²	87	55.5 Å²	55.5	47%	0.465	33%	0.33	S	S	.	.	H	α-helix	trans	-64.9	-25.5	179.7	-62.6	-20.2	0	0	0	113.1	Q367 S389 V391 Y395	Q367-D393 PolarHBondContact NE2-OD1 3Å; Q367-D393 VanDerWaalsContact NE2-OD1 3.15Å; S389-D393 PolarHBondContact O-N 2.68Å; V391-D393 VanDerWaalsContact C-N 3.34Å; V391-D393 PolarHBondContact O-N 3.07Å; D393-Y395 VanDerWaalsContact C-N 3.28Å
394	E	90.9	Very high	84	Confident	73 Å²	73	57 Å²	57	34%	0.341	34%	0.344	S	S	.	.	H	α-helix	trans	-69.5	-28.2	173.8	175.2	65.2	-155.5	0	0	111.7	T390 V391 I392 R543 F546	T390-E394 PolarHBondContact O-N 3.47Å; V391-E394 WeakPolarHBondContact O-CB 3.36Å; V391-E394 PolarHBondContact O-N 3.08Å; I392-E394 PolarHBondContact O-N 2.92Å; E394-R543 PolarHBondContact O-NH1 3.23Å; E394-R543 PolarHBondContact O-NH2 3.34Å; E394-R543 VanDerWaalsContact O-NH2 3.16Å; E394-R543 IonicContact OE1-NH1 2.76Å; E394-R543 PolarHBondContact OE1-NH1 2.82Å; E394-F546 HydrophobicContact CB-CD2 4.17Å; E394-F546 HydrophobicContact CB-CE1 4.18Å; E394-F546 HydrophobicContact CB-CE2 3.73Å; E394-F546 HydrophobicContact CB-CZ 3.74Å; E394-F546 VanDerWaalsContact CD-CD2 3.48Å; E394-F546 HydrophobicContact CG-CB 4.36Å; E394-F546 HydrophobicContact CG-CD1 3.82Å; E394-F546 HydrophobicContact CG-CD2 3.54Å; E394-F546 HydrophobicContact CG-CE1 3.91Å; E394-F546 HydrophobicContact CG-CE2 3.64Å; E394-F546 HydrophobicContact CG-CG 3.63Å; E394-F546 HydrophobicContact CG-CZ 3.83Å; E394-F546 WeakPolarHBondContact OE2-CD2 3.25Å
395	Y	89.5	Confident	83.9	Confident	14 Å²	14	57 Å²	57	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-96.6	-27	-178.5	-78.3	-102.1	0	0	0	113.6	V391 I392 D393 A408 E411 L412 D415 W547	V391-Y395 WeakPolarHBondContact O-CD2 3.14Å; I392-Y395 PolarHBondContact O-N 3.19Å; D393-Y395 VanDerWaalsContact C-N 3.28Å; Y395-A408 VanDerWaalsContact O-CB 3.24Å; Y395-A408 WeakPolarHBondContact O-CB 3.43Å; Y395-E411 HydrophobicContact CD1-CB 4.08Å; Y395-E411 HydrophobicContact CE1-CB 4.12Å; Y395-L412 HydrophobicContact CD1-CB 3.79Å; Y395-L412 HydrophobicContact CD2-CB 4.36Å; Y395-L412 HydrophobicContact CD2-CD1 3.7Å; Y395-L412 VanDerWaalsContact CE1-CA 3.44Å; Y395-L412 HydrophobicContact CE1-CB 4.06Å; Y395-L412 HydrophobicContact CE1-CD1 4.45Å; Y395-L412 HydrophobicContact CE2-CD1 3.58Å; Y395-L412 HydrophobicContact CG-CB 3.96Å; Y395-L412 HydrophobicContact CG-CD1 4.17Å; Y395-D415 HydrophobicContact CE1-CB 4.49Å; Y395-D415 WeakPolarHBondContact CE1-OD2 3.41Å; Y395-D415 WeakPolarHBondContact OH-CB 3.32Å; Y395-D415 VanDerWaalsContact OH-CG 3.31Å; Y395-D415 PolarHBondContact OH-OD2 2.94Å; Y395-W547 AromaticContact CE2-CZ2 3.98Å; Y395-W547 HydrophobicContact CE2-CZ2 3.98Å; Y395-W547 AromaticContact CZ-NE1 3.9Å; Y395-W547 PolarHBondContact OH-NE1 3.37Å
396	L	84.3	Confident	83.8	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.094	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-103.6	128.4	-176.8	-66.9	174.6	0	0	0	112.2	Q367 L370 I392 T405 A408	Q367-L396 HydrophobicContact CB-CD1 4.44Å; Q367-L396 HydrophobicContact CG-CD1 3.88Å; L370-L396 HydrophobicContact CD1-CD1 3.47Å; L370-L396 VanDerWaalsContact CD1-CD1 3.47Å; L370-L396 HydrophobicContact CD1-CD2 3.67Å; L370-L396 HydrophobicContact CD1-CG 4.07Å; I392-L396 HydrophobicContact CG2-CD1 3.37Å; I392-L396 HydrophobicContact CG2-CG 4.18Å; I392-L396 PolarHBondContact O-N 2.95Å; L396-T405 HydrophobicContact CD2-CG2 4.17Å; L396-A408 HydrophobicContact CD2-CB 3.52Å; L396-A408 HydrophobicContact CG-CB 4.41Å
397	D	75.4	Confident	83.9	Confident	135 Å²	135	54.1 Å²	54.1	72%	0.722	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-83.4	141.3	166.7	-71.2	-31.7	0	0	0	110.8	G399 S400	D397-G399 PolarHBondContact O-N 3.44Å; D397-S400 WeakPolarHBondContact O-CB 3.41Å; D397-S400 PolarHBondContact O-N 2.73Å; D397-S400 PolarHBondContact O-OG 3.49Å
398	N	65.6	Low	83.8	Confident	160 Å²	160	53.9 Å²	53.9	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	124.3	174.7	-84.5	-23.6	0	0	0	111.1
399	G	65.2	Low	83.7	Confident	83 Å²	83	53.8 Å²	53.8	86%	0.856	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	16.8	179.8	0	0	0	0	0	114.8	D397	D397-G399 PolarHBondContact O-N 3.44Å
400	S	75.2	Confident	84	Confident	39 Å²	39	51.5 Å²	51.5	27%	0.273	30%	0.302	S	S	.	.			trans	-55	137.9	173.4	-67.3	0	0	0	0	112.3	D397 T405	D397-S400 WeakPolarHBondContact O-CB 3.41Å; D397-S400 PolarHBondContact O-N 2.73Å; D397-S400 PolarHBondContact O-OG 3.49Å; S400-T405 WeakPolarHBondContact CB-OG1 3.43Å
401	D	83.4	Confident	84.2	Confident	91 Å²	91	51.2 Å²	51.2	49%	0.487	30%	0.299	S	S	.	.			trans	-73.4	164.6	170.3	71.6	9.1	0	0	0	111.1	P403 A404 T405	D401-P403 WeakPolarHBondContact OD1-CD 3.47Å; D401-A404 PolarHBondContact O-N 3.45Å; D401-A404 VanDerWaalsContact O-N 3.15Å; D401-A404 WeakPolarHBondContact OD1-CB 3.29Å; D401-A404 PolarHBondContact OD1-N 2.98Å; D401-T405 WeakPolarHBondContact O-CB 3.22Å; D401-T405 PolarHBondContact O-N 3.09Å; D401-T405 PolarHBondContact O-OG1 2.64Å; D401-T405 VanDerWaalsContact O-OG1 3.08Å
402	P	82.9	Confident	84.3	Confident	87 Å²	87	51.3 Å²	51.3	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-56.5	-40.3	-177.5	-24.2	32.9	0	0	0	114.6	T405 R406	P402-T405 PolarHBondContact O-N 2.54Å; P402-R406 WeakPolarHBondContact O-CB 3.48Å; P402-R406 PolarHBondContact O-N 3.39Å
403	P	85.3	Confident	84.5	Confident	64 Å²	64	51.1 Å²	51.1	42%	0.416	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-43.4	172.5	-26.7	35.9	0	0	0	114.6	D401 R406 Y407	D401-P403 WeakPolarHBondContact OD1-CD 3.47Å; P403-R406 PolarHBondContact O-N 2.96Å; P403-Y407 WeakPolarHBondContact O-CB 3.45Å; P403-Y407 PolarHBondContact O-N 2.97Å
404	A	85.4	Confident	84.9	Confident	40 Å²	40	47 Å²	47	33%	0.331	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-43	177.3	0	0	0	0	0	111.4	D401 R406 Y407 A408	D401-A404 PolarHBondContact O-N 3.45Å; D401-A404 VanDerWaalsContact O-N 3.15Å; D401-A404 WeakPolarHBondContact OD1-CB 3.29Å; D401-A404 PolarHBondContact OD1-N 2.98Å; A404-R406 PolarHBondContact O-N 3.41Å; A404-Y407 PolarHBondContact O-N 3.44Å; A404-A408 WeakPolarHBondContact O-CB 3.24Å; A404-A408 PolarHBondContact O-N 3.43Å
405	T	85.1	Confident	85	Confident	14 Å²	14	43.6 Å²	43.6	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-44.9	175.2	-62.6	0	0	0	0	111.7	L365 L370 L396 S400 D401 P402 A408 F409	L365-T405 HydrophobicContact CB-CG2 4.28Å; L370-T405 HydrophobicContact CD1-CG2 3.45Å; L370-T405 VanDerWaalsContact CD1-CG2 3.45Å; L370-T405 HydrophobicContact CG-CG2 4.23Å; L396-T405 HydrophobicContact CD2-CG2 4.17Å; S400-T405 WeakPolarHBondContact CB-OG1 3.43Å; D401-T405 WeakPolarHBondContact O-CB 3.22Å; D401-T405 PolarHBondContact O-N 3.09Å; D401-T405 PolarHBondContact O-OG1 2.64Å; D401-T405 VanDerWaalsContact O-OG1 3.08Å; P402-T405 PolarHBondContact O-N 2.54Å; T405-A408 PolarHBondContact O-N 3.08Å; T405-F409 PolarHBondContact O-N 3.33Å; T405-F409 VanDerWaalsContact O-N 3.14Å
406	R	86.4	Confident	85.1	Confident	47 Å²	47	43.6 Å²	43.6	18%	0.177	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-48	173.5	179.3	-175.4	65.3	-139.7	-5.1	111.4	L362 P402 P403 A404 A408 F409 Q410	L362-R406 HydrophobicContact CB-CG 4.31Å; L362-R406 HydrophobicContact CD2-CG 4.44Å; P402-R406 WeakPolarHBondContact O-CB 3.48Å; P402-R406 PolarHBondContact O-N 3.39Å; P403-R406 PolarHBondContact O-N 2.96Å; A404-R406 PolarHBondContact O-N 3.41Å; R406-A408 PolarHBondContact O-N 3.41Å; R406-F409 WeakPolarHBondContact O-CB 3.37Å; R406-F409 PolarHBondContact O-N 3.43Å; R406-Q410 HydrophobicContact CG-CG 4.45Å; R406-Q410 VanDerWaalsContact O-CG 3.27Å; R406-Q410 WeakPolarHBondContact O-CG 3.44Å; R406-Q410 PolarHBondContact O-N 2.61Å
407	Y	88.6	Confident	85.5	Confident	82 Å²	82	42.8 Å²	42.8	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-43.4	-178.5	-176.1	-100.4	0	0	0	112	P403 A404 F409 Q410 E411 K457	P403-Y407 WeakPolarHBondContact O-CB 3.45Å; P403-Y407 PolarHBondContact O-N 2.97Å; A404-Y407 PolarHBondContact O-N 3.44Å; Y407-F409 VanDerWaalsContact C-N 3.29Å; Y407-F409 PolarHBondContact O-N 2.83Å; Y407-Q410 PolarHBondContact O-N 3.4Å; Y407-E411 HydrophobicContact CD1-CG 3.98Å; Y407-E411 HydrophobicContact CE1-CG 3.56Å; Y407-E411 HydrophobicContact CE2-CG 4.4Å; Y407-E411 WeakPolarHBondContact O-CG 3.35Å; Y407-E411 PolarHBondContact O-N 3.39Å; Y407-K457 PolarHBondContact OH-NZ 3.18Å
408	A	88.8	Confident	86.5	Confident	10 Å²	10	36.5 Å²	36.5	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-40.4	175.7	0	0	0	0	0	112.5	Y395 L396 A404 T405 R406 E411 L412	Y395-A408 VanDerWaalsContact O-CB 3.24Å; Y395-A408 WeakPolarHBondContact O-CB 3.43Å; L396-A408 HydrophobicContact CD2-CB 3.52Å; L396-A408 HydrophobicContact CG-CB 4.41Å; A404-A408 WeakPolarHBondContact O-CB 3.24Å; A404-A408 PolarHBondContact O-N 3.43Å; T405-A408 PolarHBondContact O-N 3.08Å; R406-A408 PolarHBondContact O-N 3.41Å; A408-E411 PolarHBondContact O-N 3.21Å; A408-L412 WeakPolarHBondContact O-CB 3.47Å; A408-L412 PolarHBondContact O-N 3.43Å
409	F	87.8	Confident	88	Confident	3 Å²	3	29 Å²	29	1%	0.013	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-41.7	174.7	176.1	-112.3	0	0	0	113.2	L353 L362 L365 L370 I373 S374 T405 R406 Y407 E411 L412 L413	L353-F409 HydrophobicContact CD2-CE1 4.04Å; L362-F409 HydrophobicContact CD2-CD1 3.64Å; L362-F409 HydrophobicContact CD2-CE1 3.72Å; L365-F409 HydrophobicContact CD1-CD1 4.32Å; L370-F409 HydrophobicContact CD1-CB 4.47Å; L370-F409 HydrophobicContact CD2-CB 3.41Å; L370-F409 VanDerWaalsContact CD2-CB 3.41Å; L370-F409 HydrophobicContact CD2-CD1 4.19Å; L370-F409 HydrophobicContact CD2-CD2 3.4Å; L370-F409 VanDerWaalsContact CD2-CD2 3.4Å; L370-F409 HydrophobicContact CD2-CE2 4.16Å; L370-F409 HydrophobicContact CD2-CG 3.39Å; I373-F409 HydrophobicContact CB-CE2 4.38Å; I373-F409 HydrophobicContact CB-CZ 4.27Å; I373-F409 HydrophobicContact CG2-CE2 4.03Å; I373-F409 HydrophobicContact CG2-CZ 3.51Å; S374-F409 WeakPolarHBondContact OG-CE2 3.46Å; T405-F409 PolarHBondContact O-N 3.33Å; T405-F409 VanDerWaalsContact O-N 3.14Å; R406-F409 WeakPolarHBondContact O-CB 3.37Å; R406-F409 PolarHBondContact O-N 3.43Å; Y407-F409 VanDerWaalsContact C-N 3.29Å; Y407-F409 PolarHBondContact O-N 2.83Å; F409-E411 VanDerWaalsContact C-N 3.31Å; F409-E411 PolarHBondContact O-N 3.32Å; F409-L412 PolarHBondContact O-N 3.12Å; F409-L413 HydrophobicContact CD1-CD1 4.44Å; F409-L413 HydrophobicContact CD2-CG 4.37Å; F409-L413 HydrophobicContact CE1-CD1 3.7Å; F409-L413 HydrophobicContact CE1-CG 4.48Å; F409-L413 HydrophobicContact CE2-CD1 3.83Å; F409-L413 HydrophobicContact CE2-CD2 4.31Å; F409-L413 HydrophobicContact CE2-CG 3.96Å; F409-L413 HydrophobicContact CZ-CD1 3.36Å; F409-L413 HydrophobicContact CZ-CG 4.02Å; F409-L413 PolarHBondContact O-N 2.93Å
410	Q	91.4	Very high	89.4	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-39.9	175.7	-67.3	171.6	-47.5	0	0	111.2	H346 F348 G349 L353 R406 Y407 S414	H346-Q410 PolarHBondContact NE2-OE1 3.12Å; F348-Q410 WeakPolarHBondContact CB-O 3.43Å; F348-Q410 VanDerWaalsContact O-CG 3.28Å; F348-Q410 WeakPolarHBondContact O-CG 3.1Å; G349-Q410 PolarHBondContact O-NE2 3.42Å; L353-Q410 HydrophobicContact CD1-CG 4.06Å; L353-Q410 VanDerWaalsContact CD1-NE2 3.33Å; R406-Q410 HydrophobicContact CG-CG 4.45Å; R406-Q410 VanDerWaalsContact O-CG 3.27Å; R406-Q410 WeakPolarHBondContact O-CG 3.44Å; R406-Q410 PolarHBondContact O-N 2.61Å; Y407-Q410 PolarHBondContact O-N 3.4Å; Q410-S414 VanDerWaalsContact O-CB 3.27Å; Q410-S414 WeakPolarHBondContact O-CB 3.37Å; Q410-S414 PolarHBondContact O-N 3.13Å; Q410-S414 PolarHBondContact O-OG 2.75Å
411	E	92.8	Very high	90.4	Very high	22 Å²	22	24.2 Å²	24.2	10%	0.103	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-45.4	173.7	-74	-76.3	102.1	0	0	111.6	Y395 Y407 A408 F409 L413 S414 D415 K540	Y395-E411 HydrophobicContact CD1-CB 4.08Å; Y395-E411 HydrophobicContact CE1-CB 4.12Å; Y407-E411 HydrophobicContact CD1-CG 3.98Å; Y407-E411 HydrophobicContact CE1-CG 3.56Å; Y407-E411 HydrophobicContact CE2-CG 4.4Å; Y407-E411 WeakPolarHBondContact O-CG 3.35Å; Y407-E411 PolarHBondContact O-N 3.39Å; A408-E411 PolarHBondContact O-N 3.21Å; F409-E411 VanDerWaalsContact C-N 3.31Å; F409-E411 PolarHBondContact O-N 3.32Å; E411-L413 PolarHBondContact O-N 3.39Å; E411-S414 PolarHBondContact O-N 2.96Å; E411-D415 WeakPolarHBondContact O-CB 3.49Å; E411-D415 PolarHBondContact O-N 2.9Å; E411-K540 IonicContact OE1-NZ 2.83Å; E411-K540 PolarHBondContact OE1-NZ 3.03Å; E411-K540 IonicContact OE2-NZ 3.81Å; E411-K540 PolarHBondContact OE2-NZ 3.17Å
412	L	91.9	Very high	91.1	Very high	3 Å²	3	20 Å²	20	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-56	-50.9	177	173.6	64.3	0	0	0	111.6	V391 I392 Y395 A408 F409 D415 I416 W547	V391-L412 HydrophobicContact CG1-CD1 3.63Å; I392-L412 HydrophobicContact CD1-CD2 3.41Å; I392-L412 VanDerWaalsContact CD1-CD2 3.41Å; Y395-L412 HydrophobicContact CD1-CB 3.79Å; Y395-L412 HydrophobicContact CD2-CB 4.36Å; Y395-L412 HydrophobicContact CD2-CD1 3.7Å; Y395-L412 VanDerWaalsContact CE1-CA 3.44Å; Y395-L412 HydrophobicContact CE1-CB 4.06Å; Y395-L412 HydrophobicContact CE1-CD1 4.45Å; Y395-L412 HydrophobicContact CE2-CD1 3.58Å; Y395-L412 HydrophobicContact CG-CB 3.96Å; Y395-L412 HydrophobicContact CG-CD1 4.17Å; A408-L412 WeakPolarHBondContact O-CB 3.47Å; A408-L412 PolarHBondContact O-N 3.43Å; F409-L412 PolarHBondContact O-N 3.12Å; L412-D415 PolarHBondContact O-N 3.31Å; L412-I416 HydrophobicContact CD1-CD1 3.63Å; L412-I416 HydrophobicContact CD1-CG1 4.18Å; L412-I416 HydrophobicContact CG-CD1 3.91Å; L412-I416 VanDerWaalsContact O-CG1 3.29Å; L412-I416 WeakPolarHBondContact O-CG1 3.43Å; L412-I416 PolarHBondContact O-N 2.85Å; L412-W547 HydrophobicContact CD1-CH2 4.3Å; L412-W547 HydrophobicContact CD1-CZ2 3.92Å
413	L	91.8	Very high	91.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.5	-38.2	179.5	-66.6	-172.3	0	0	0	112.2	F348 L353 M358 F377 F409 E411 D415 V417	F348-L413 HydrophobicContact CB-CB 4Å; F348-L413 HydrophobicContact CD1-CB 3.61Å; F348-L413 HydrophobicContact CD1-CD1 3.54Å; F348-L413 HydrophobicContact CD1-CG 4.25Å; F348-L413 HydrophobicContact CD2-CB 3.86Å; F348-L413 HydrophobicContact CE1-CB 4Å; F348-L413 HydrophobicContact CE1-CD1 3.74Å; F348-L413 HydrophobicContact CE2-CB 4.21Å; F348-L413 HydrophobicContact CG-CB 3.52Å; F348-L413 HydrophobicContact CG-CD1 4.31Å; F348-L413 HydrophobicContact CZ-CB 4.29Å; L353-L413 HydrophobicContact CD2-CD1 4.44Å; M358-L413 HydrophobicContact CE-CD1 3.71Å; F377-L413 HydrophobicContact CB-CD2 4.27Å; F377-L413 HydrophobicContact CD2-CD2 3.62Å; F377-L413 HydrophobicContact CE2-CD2 4.2Å; F377-L413 HydrophobicContact CG-CD2 3.92Å; F409-L413 HydrophobicContact CD1-CD1 4.44Å; F409-L413 HydrophobicContact CD2-CG 4.37Å; F409-L413 HydrophobicContact CE1-CD1 3.7Å; F409-L413 HydrophobicContact CE1-CG 4.48Å; F409-L413 HydrophobicContact CE2-CD1 3.83Å; F409-L413 HydrophobicContact CE2-CD2 4.31Å; F409-L413 HydrophobicContact CE2-CG 3.96Å; F409-L413 HydrophobicContact CZ-CD1 3.36Å; F409-L413 HydrophobicContact CZ-CG 4.02Å; F409-L413 PolarHBondContact O-N 2.93Å; E411-L413 PolarHBondContact O-N 3.39Å; L413-D415 VanDerWaalsContact C-N 3.3Å; L413-D415 PolarHBondContact O-N 3.37Å; L413-V417 VanDerWaalsContact O-CB 3.23Å; L413-V417 WeakPolarHBondContact O-CB 3.43Å; L413-V417 VanDerWaalsContact O-CG2 3.22Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.49Å
414	S	94.8	Very high	92.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-44.5	174.3	-60.1	0	0	0	0	111	F348 Q410 E411 F418 V419	F348-S414 PolarHBondContact N-OG 2.96Å; Q410-S414 VanDerWaalsContact O-CB 3.27Å; Q410-S414 WeakPolarHBondContact O-CB 3.37Å; Q410-S414 PolarHBondContact O-N 3.13Å; Q410-S414 PolarHBondContact O-OG 2.75Å; E411-S414 PolarHBondContact O-N 2.96Å; S414-F418 PolarHBondContact O-N 3.42Å; S414-V419 PolarHBondContact O-N 3.28Å
415	D	94.4	Very high	92.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-67.4	-49.4	-178.8	-77.4	-11.6	0	0	0	112.2	Y395 E411 L412 L413 V417 I420 P421	Y395-D415 HydrophobicContact CE1-CB 4.49Å; Y395-D415 WeakPolarHBondContact CE1-OD2 3.41Å; Y395-D415 WeakPolarHBondContact OH-CB 3.32Å; Y395-D415 VanDerWaalsContact OH-CG 3.31Å; Y395-D415 PolarHBondContact OH-OD2 2.94Å; E411-D415 WeakPolarHBondContact O-CB 3.49Å; E411-D415 PolarHBondContact O-N 2.9Å; L412-D415 PolarHBondContact O-N 3.31Å; L413-D415 VanDerWaalsContact C-N 3.3Å; L413-D415 PolarHBondContact O-N 3.37Å; D415-V417 VanDerWaalsContact C-N 3.3Å; D415-V417 PolarHBondContact O-N 2.7Å; D415-I420 HydrophobicContact CB-CG1 4.03Å; D415-I420 VanDerWaalsContact O-CB 3.31Å; D415-I420 WeakPolarHBondContact O-CB 3.3Å; D415-I420 VanDerWaalsContact O-CG1 3.3Å; D415-I420 WeakPolarHBondContact O-CG1 3.35Å; D415-I420 PolarHBondContact O-N 2.81Å; D415-P421 WeakPolarHBondContact O-CD 3.39Å
416	I	91.6	Very high	93.4	Very high	14 Å²	14	12.8 Å²	12.8	7%	0.072	6%	0.061	C	C	.	.	I	π-helix	trans	-58.6	-44.7	178.7	-72	172	0	0	0	111.2	L378 M381 L412 P421 W547	L378-I416 HydrophobicContact CD2-CD1 3.62Å; M381-I416 HydrophobicContact CG-CG2 4.16Å; M381-I416 HydrophobicContact SD-CB 4.12Å; M381-I416 HydrophobicContact SD-CD1 4.16Å; M381-I416 HydrophobicContact SD-CG1 3.7Å; M381-I416 HydrophobicContact SD-CG2 3.56Å; M381-I416 VanDerWaalsContact SD-CG2 3.56Å; L412-I416 HydrophobicContact CD1-CD1 3.63Å; L412-I416 HydrophobicContact CD1-CG1 4.18Å; L412-I416 HydrophobicContact CG-CD1 3.91Å; L412-I416 VanDerWaalsContact O-CG1 3.29Å; L412-I416 WeakPolarHBondContact O-CG1 3.43Å; L412-I416 PolarHBondContact O-N 2.85Å; I416-P421 WeakPolarHBondContact O-CG 3.39Å; I416-W547 HydrophobicContact CD1-CH2 3.89Å; I416-W547 HydrophobicContact CD1-CZ2 4.28Å; I416-W547 HydrophobicContact CG1-CH2 3.5Å; I416-W547 VanDerWaalsContact CG1-CH2 3.5Å; I416-W547 HydrophobicContact CG1-CZ2 3.66Å; I416-W547 HydrophobicContact CG1-CZ3 4.41Å
417	V	92.3	Very high	93.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	6%	0.062	C	C	.	.	I	π-helix	trans	-87.9	-48.9	-168.6	177.5	0	0	0	0	111.4	N263 I265 F348 W356 L413 D415	N263-V417 VanDerWaalsContact CG-O 3.24Å; N263-V417 WeakPolarHBondContact ND2-CG1 3.32Å; N263-V417 PolarHBondContact ND2-O 2.84Å; I265-V417 HydrophobicContact CD1-CB 4.07Å; I265-V417 HydrophobicContact CD1-CG1 3.21Å; I265-V417 HydrophobicContact CD1-CG2 3.71Å; I265-V417 HydrophobicContact CG1-CG1 4.21Å; I265-V417 HydrophobicContact CG1-CG2 4.37Å; F348-V417 HydrophobicContact CE2-CB 3.76Å; F348-V417 HydrophobicContact CE2-CG1 4Å; F348-V417 HydrophobicContact CE2-CG2 3.77Å; F348-V417 HydrophobicContact CZ-CB 4.44Å; F348-V417 HydrophobicContact CZ-CG2 4Å; W356-V417 HydrophobicContact CH2-CG2 4.42Å; L413-V417 VanDerWaalsContact O-CB 3.23Å; L413-V417 WeakPolarHBondContact O-CB 3.43Å; L413-V417 VanDerWaalsContact O-CG2 3.22Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.49Å; D415-V417 VanDerWaalsContact C-N 3.3Å; D415-V417 PolarHBondContact O-N 2.7Å
418	F	95.6	Very high	94.3	Very high	3 Å²	3	12 Å²	12	1%	0.013	6%	0.059	C	C	.	.	I	π-helix	trans	-115.1	-49	-167.1	-64.5	-68.4	0	0	0	112.9	M236 S258 V343 E347 F348 M352 S414 T422 H460	M236-F418 HydrophobicContact CE-CE1 4.43Å; S258-F418 WeakPolarHBondContact O-CD1 3.03Å; S258-F418 WeakPolarHBondContact O-CE1 3.36Å; V343-F418 HydrophobicContact CG1-CB 4.29Å; E347-F418 HydrophobicContact CB-CB 4.36Å; E347-F418 HydrophobicContact CB-CD2 3.45Å; E347-F418 VanDerWaalsContact CB-CD2 3.45Å; E347-F418 HydrophobicContact CB-CE2 4.03Å; E347-F418 HydrophobicContact CB-CG 4.18Å; E347-F418 HydrophobicContact CG-CB 3.82Å; E347-F418 HydrophobicContact CG-CD2 3.81Å; E347-F418 HydrophobicContact CG-CG 4.01Å; F348-F418 HydrophobicContact CD2-CD2 4.12Å; F348-F418 AromaticContact CD2-CE2 3.96Å; F348-F418 HydrophobicContact CD2-CE2 3.96Å; F348-F418 AromaticContact CE2-CD2 3.9Å; F348-F418 HydrophobicContact CE2-CD2 3.9Å; F348-F418 AromaticContact CE2-CE2 3.48Å; F348-F418 HydrophobicContact CE2-CE2 3.48Å; F348-F418 VanDerWaalsContact CE2-CE2 3.48Å; F348-F418 HydrophobicContact CZ-CE2 4.48Å; M352-F418 HydrophobicContact CE-CE2 4.45Å; M352-F418 HydrophobicContact CE-CZ 4.19Å; M352-F418 HydrophobicContact CG-CE2 4.09Å; M352-F418 HydrophobicContact CG-CZ 4.4Å; M352-F418 HydrophobicContact SD-CZ 4.3Å; S414-F418 PolarHBondContact O-N 3.42Å; F418-T422 WeakPolarHBondContact O-CB 3.24Å; F418-T422 PolarHBondContact O-N 2.71Å; F418-T422 VanDerWaalsContact O-N 3.14Å; F418-T422 PolarHBondContact O-OG1 3.36Å; F418-H460 AromaticContact CE1-CE1 3.5Å; F418-H460 AromaticContact CE2-ND1 3.99Å; F418-H460 AromaticContact CZ-CE1 3.36Å; F418-H460 WeakPolarHBondContact CZ-CE1 3.44Å; F418-H460 AromaticContact CZ-ND1 3.72Å; F418-H460 AromaticContact CZ-NE2 3.94Å
419	V	96.9	Very high	94.7	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.018	6%	0.056	C	C	.	.	I	π-helix	trans	-73	-56.4	-166.6	-170.4	0	0	0	0	111.6	V343 S414 T422 L423 K540	V343-V419 HydrophobicContact CB-CG2 4.48Å; V343-V419 HydrophobicContact CG1-CG2 4.49Å; V343-V419 HydrophobicContact CG2-CG1 4.33Å; V343-V419 HydrophobicContact CG2-CG2 4.2Å; S414-V419 PolarHBondContact O-N 3.28Å; V419-T422 PolarHBondContact O-N 2.94Å; V419-T422 VanDerWaalsContact O-N 3.17Å; V419-L423 HydrophobicContact CG1-CD1 3.94Å; V419-L423 HydrophobicContact CG1-CG 4.34Å; V419-L423 WeakPolarHBondContact O-CG 3.47Å; V419-L423 PolarHBondContact O-N 3.15Å; V419-K540 HydrophobicContact CG1-CG 3.95Å
420	I	95.4	Very high	95.1	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.041	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-45	-176.7	-57.4	-63	0	0	0	111.7	D415 T422 L423 N424 L544 W547	D415-I420 HydrophobicContact CB-CG1 4.03Å; D415-I420 VanDerWaalsContact O-CB 3.31Å; D415-I420 WeakPolarHBondContact O-CB 3.3Å; D415-I420 VanDerWaalsContact O-CG1 3.3Å; D415-I420 WeakPolarHBondContact O-CG1 3.35Å; D415-I420 PolarHBondContact O-N 2.81Å; I420-T422 VanDerWaalsContact C-N 3.32Å; I420-T422 PolarHBondContact O-N 3.29Å; I420-L423 PolarHBondContact O-N 3.31Å; I420-N424 WeakPolarHBondContact O-CB 3.47Å; I420-N424 VanDerWaalsContact O-CG 3.24Å; I420-N424 PolarHBondContact O-N 2.91Å; I420-N424 PolarHBondContact O-OD1 3.15Å; I420-L544 HydrophobicContact CD1-CB 4.43Å; I420-L544 HydrophobicContact CD1-CD1 3.86Å; I420-L544 HydrophobicContact CG2-CD1 4.3Å; I420-W547 HydrophobicContact CD1-CB 4.46Å; I420-W547 HydrophobicContact CD1-CG 4.21Å; I420-W547 HydrophobicContact CG1-CG 4.03Å; I420-W547 HydrophobicContact CG2-CB 4.2Å; I420-W547 HydrophobicContact CG2-CG 4.44Å
421	P	95.6	Very high	95.3	Very high	13 Å²	13	18.3 Å²	18.3	8%	0.084	9%	0.091	C	C	.	.	H	α-helix	trans	-57.9	-41.4	173.4	-27.9	38.1	0	0	0	113.2	V260 I262 N263 D415 I416 N424 F425	V260-P421 HydrophobicContact CG2-CB 3.87Å; V260-P421 WeakPolarHBondContact CG2-O 3.36Å; I262-P421 HydrophobicContact CG1-CB 4.32Å; N263-P421 HydrophobicContact CB-CB 4.46Å; D415-P421 WeakPolarHBondContact O-CD 3.39Å; I416-P421 WeakPolarHBondContact O-CG 3.39Å; P421-N424 PolarHBondContact O-N 3.02Å; P421-F425 VanDerWaalsContact O-CB 3.26Å; P421-F425 WeakPolarHBondContact O-CB 3.19Å; P421-F425 PolarHBondContact O-N 3.19Å
422	T	97.8	Very high	95.5	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-65.5	-42.6	179.2	-60.8	0	0	0	0	111.7	L341 V343 F418 V419 I420 F425 S426 L438	L341-T422 HydrophobicContact CB-CG2 4.37Å; L341-T422 HydrophobicContact CD1-CG2 3.89Å; L341-T422 HydrophobicContact CG-CG2 3.93Å; V343-T422 HydrophobicContact CG1-CG2 4.14Å; F418-T422 WeakPolarHBondContact O-CB 3.24Å; F418-T422 PolarHBondContact O-N 2.71Å; F418-T422 VanDerWaalsContact O-N 3.14Å; F418-T422 PolarHBondContact O-OG1 3.36Å; V419-T422 PolarHBondContact O-N 2.94Å; V419-T422 VanDerWaalsContact O-N 3.17Å; I420-T422 VanDerWaalsContact C-N 3.32Å; I420-T422 PolarHBondContact O-N 3.29Å; T422-F425 PolarHBondContact O-N 3.16Å; T422-S426 WeakPolarHBondContact O-CB 3.26Å; T422-S426 PolarHBondContact O-N 3.29Å; T422-L438 HydrophobicContact CG2-CD1 4.41Å
423	L	97.2	Very high	95.7	Very high	9 Å²	9	20.9 Å²	20.9	5%	0.047	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-46.5	177.2	-66.8	178.8	0	0	0	111.5	V419 I420 F425 S426 R427 L438 L539 K540 L544	V419-L423 HydrophobicContact CG1-CD1 3.94Å; V419-L423 HydrophobicContact CG1-CG 4.34Å; V419-L423 WeakPolarHBondContact O-CG 3.47Å; V419-L423 PolarHBondContact O-N 3.15Å; I420-L423 PolarHBondContact O-N 3.31Å; L423-F425 PolarHBondContact O-N 3.08Å; L423-S426 PolarHBondContact O-N 3.48Å; L423-S426 PolarHBondContact O-OG 3.38Å; L423-R427 PolarHBondContact O-N 3.06Å; L423-R427 VanDerWaalsContact O-N 3.11Å; L423-L438 HydrophobicContact CD2-CD1 4.42Å; L423-L438 HydrophobicContact CD2-CD2 3.63Å; L423-L539 WeakPolarHBondContact CD1-O 3.28Å; L423-L539 HydrophobicContact CD2-CB 4.2Å; L423-L539 HydrophobicContact CD2-CD2 4.12Å; L423-L539 HydrophobicContact CD2-CG 4.41Å; L423-K540 HydrophobicContact CD1-CB 4.43Å; L423-L544 HydrophobicContact CB-CD1 4.28Å; L423-L544 HydrophobicContact CB-CD2 4.31Å; L423-L544 HydrophobicContact CD1-CD1 4.38Å; L423-L544 HydrophobicContact CD1-CD2 3.99Å
424	N	95.7	Very high	95.9	Very high	41 Å²	41	21.3 Å²	21.3	22%	0.219	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-43.4	178.3	-66.6	6.3	0	0	0	111.3	I262 I420 P421 S426 R427 H428 E548	I262-N424 HydrophobicContact CD1-CB 4.13Å; I420-N424 WeakPolarHBondContact O-CB 3.47Å; I420-N424 VanDerWaalsContact O-CG 3.24Å; I420-N424 PolarHBondContact O-N 2.91Å; I420-N424 PolarHBondContact O-OD1 3.15Å; P421-N424 PolarHBondContact O-N 3.02Å; N424-S426 VanDerWaalsContact C-N 3.34Å; N424-S426 PolarHBondContact O-N 3.28Å; N424-R427 PolarHBondContact O-N 3.15Å; N424-H428 PolarHBondContact O-CD2 3.49Å; N424-H428 PolarHBondContact O-N 2.99Å; N424-E548 PolarHBondContact OD1-OE1 3.31Å
425	F	97.4	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-42.8	175.8	-168.3	-97.4	0	0	0	111.6	S239 L243 V260 V261 I262 L329 Y339 L341 P421 T422 L423 R427 H428 L429	S239-F425 VanDerWaalsContact CB-CZ 3.48Å; L243-F425 HydrophobicContact CD1-CE2 4.47Å; V260-F425 HydrophobicContact CB-CB 4.16Å; V260-F425 HydrophobicContact CB-CD1 4.27Å; V260-F425 HydrophobicContact CB-CD2 4.24Å; V260-F425 HydrophobicContact CB-CG 3.98Å; V260-F425 HydrophobicContact CG1-CB 4.11Å; V260-F425 HydrophobicContact CG1-CD1 3.75Å; V260-F425 HydrophobicContact CG1-CE1 4.3Å; V260-F425 HydrophobicContact CG1-CG 3.92Å; V260-F425 HydrophobicContact CG2-CB 3.96Å; V260-F425 HydrophobicContact CG2-CG 4.31Å; V261-F425 HydrophobicContact CG1-CE2 3.98Å; I262-F425 HydrophobicContact CD1-CB 3.88Å; I262-F425 HydrophobicContact CD1-CD2 4.25Å; I262-F425 HydrophobicContact CG1-CB 4.29Å; I262-F425 HydrophobicContact CG1-CD2 4.22Å; L329-F425 HydrophobicContact CD1-CD2 3.61Å; L329-F425 HydrophobicContact CD1-CE2 3.75Å; L329-F425 HydrophobicContact CD2-CD2 3.99Å; L329-F425 HydrophobicContact CD2-CE2 3.66Å; L329-F425 HydrophobicContact CD2-CZ 4.34Å; L329-F425 HydrophobicContact CG-CD2 4.44Å; L329-F425 HydrophobicContact CG-CE2 4.22Å; Y339-F425 HydrophobicContact CD2-CE1 4.48Å; Y339-F425 HydrophobicContact CE1-CE1 4.34Å; Y339-F425 AromaticContact CE2-CE1 3.77Å; Y339-F425 HydrophobicContact CE2-CE1 3.77Å; Y339-F425 HydrophobicContact CE2-CZ 4.31Å; Y339-F425 AromaticContact CZ-CE1 3.71Å; L341-F425 HydrophobicContact CD1-CD1 3.85Å; P421-F425 VanDerWaalsContact O-CB 3.26Å; P421-F425 WeakPolarHBondContact O-CB 3.19Å; P421-F425 PolarHBondContact O-N 3.19Å; T422-F425 PolarHBondContact O-N 3.16Å; L423-F425 PolarHBondContact O-N 3.08Å; F425-R427 VanDerWaalsContact C-N 3.29Å; F425-R427 PolarHBondContact O-N 3.41Å; F425-H428 PolarHBondContact O-N 2.8Å; F425-L429 HydrophobicContact CD1-CD1 3.68Å; F425-L429 HydrophobicContact CD1-CG 4.02Å; F425-L429 HydrophobicContact CE1-CD1 3.49Å; F425-L429 VanDerWaalsContact CE1-CD1 3.49Å; F425-L429 HydrophobicContact CE1-CD2 4.1Å; F425-L429 HydrophobicContact CE1-CG 3.84Å; F425-L429 HydrophobicContact CZ-CD1 4.46Å; F425-L429 HydrophobicContact CZ-CD2 4.3Å; F425-L429 HydrophobicContact CZ-CG 4.42Å; F425-L429 WeakPolarHBondContact O-CG 3.44Å; F425-L429 PolarHBondContact O-N 2.95Å
426	S	97.6	Very high	96.3	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-37.8	177.8	80.3	0	0	0	0	112.7	T422 L423 N424 L429 Q430	T422-S426 WeakPolarHBondContact O-CB 3.26Å; T422-S426 PolarHBondContact O-N 3.29Å; L423-S426 PolarHBondContact O-N 3.48Å; L423-S426 PolarHBondContact O-OG 3.38Å; N424-S426 VanDerWaalsContact C-N 3.34Å; N424-S426 PolarHBondContact O-N 3.28Å; S426-L429 PolarHBondContact O-N 3.42Å; S426-Q430 WeakPolarHBondContact O-CB 3.39Å; S426-Q430 PolarHBondContact O-N 2.85Å
427	R	95.7	Very high	96.7	Very high	55 Å²	55	22.8 Å²	22.8	21%	0.208	14%	0.135	C	C	.	.	H	α-helix	trans	-69.9	-43.9	176.3	-72.7	173.1	170.6	174	-9.4	112	L423 N424 F425 L429 Q430 D431 E524 L544 E548	L423-R427 PolarHBondContact O-N 3.06Å; L423-R427 VanDerWaalsContact O-N 3.11Å; N424-R427 PolarHBondContact O-N 3.15Å; F425-R427 VanDerWaalsContact C-N 3.29Å; F425-R427 PolarHBondContact O-N 3.41Å; R427-L429 VanDerWaalsContact C-N 3.3Å; R427-L429 PolarHBondContact O-N 2.7Å; R427-Q430 WeakPolarHBondContact O-CB 3.22Å; R427-Q430 PolarHBondContact O-N 2.98Å; R427-Q430 VanDerWaalsContact O-N 3.16Å; R427-D431 WeakPolarHBondContact O-CB 3.48Å; R427-D431 PolarHBondContact O-N 3.28Å; R427-E524 IonicContact CZ-OE1 3.69Å; R427-E524 VanDerWaalsContact CZ-OE1 3.29Å; R427-E524 IonicContact NE-OE1 2.69Å; R427-E524 PolarHBondContact NE-OE1 3.3Å; R427-E524 IonicContact NH2-OE1 2.71Å; R427-E524 PolarHBondContact NH2-OE1 3.05Å; R427-E524 IonicContact NH2-OE2 3.28Å; R427-L544 VanDerWaalsContact NH1-CD2 3.28Å; R427-E548 IonicContact CZ-OE2 3.38Å; R427-E548 IonicContact NH1-OE1 2.97Å; R427-E548 PolarHBondContact NH1-OE1 3.3Å; R427-E548 IonicContact NH1-OE2 3.62Å; R427-E548 PolarHBondContact NH1-OE2 2.95Å
428	H	96.9	Very high	97	Very high	58 Å²	58	23 Å²	23	27%	0.269	14%	0.136	S	C	.	.	H	α-helix	trans	-59.7	-40.4	173.9	-76.7	-63.8	0	0	0	112.5	L329 N424 F425 D431 A432	L329-H428 HydrophobicContact CB-CB 4.2Å; L329-H428 HydrophobicContact CD2-CB 3.92Å; N424-H428 PolarHBondContact O-CD2 3.49Å; N424-H428 PolarHBondContact O-N 2.99Å; F425-H428 PolarHBondContact O-N 2.8Å; H428-D431 PolarHBondContact O-N 2.94Å; H428-A432 WeakPolarHBondContact O-CB 3.4Å; H428-A432 PolarHBondContact O-N 3.17Å
429	L	97.8	Very high	97.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-44.5	174.2	-70.9	177.1	0	0	0	112	F334 Y339 F425 S426 R427 A432 G433 C434 V436	F334-L429 HydrophobicContact CE2-CD2 3.85Å; F334-L429 HydrophobicContact CZ-CD2 4.18Å; Y339-L429 HydrophobicContact CD1-CD1 3.9Å; Y339-L429 HydrophobicContact CD2-CD1 3.49Å; Y339-L429 VanDerWaalsContact CD2-CD1 3.49Å; Y339-L429 HydrophobicContact CD2-CD2 4.14Å; Y339-L429 HydrophobicContact CD2-CG 4.47Å; Y339-L429 HydrophobicContact CE1-CD1 4.43Å; Y339-L429 HydrophobicContact CE2-CD1 4.01Å; Y339-L429 HydrophobicContact CG-CD1 3.42Å; Y339-L429 VanDerWaalsContact CG-CD1 3.42Å; F425-L429 HydrophobicContact CD1-CD1 3.68Å; F425-L429 HydrophobicContact CD1-CG 4.02Å; F425-L429 HydrophobicContact CE1-CD1 3.49Å; F425-L429 VanDerWaalsContact CE1-CD1 3.49Å; F425-L429 HydrophobicContact CE1-CD2 4.1Å; F425-L429 HydrophobicContact CE1-CG 3.84Å; F425-L429 HydrophobicContact CZ-CD1 4.46Å; F425-L429 HydrophobicContact CZ-CD2 4.3Å; F425-L429 HydrophobicContact CZ-CG 4.42Å; F425-L429 WeakPolarHBondContact O-CG 3.44Å; F425-L429 PolarHBondContact O-N 2.95Å; S426-L429 PolarHBondContact O-N 3.42Å; R427-L429 VanDerWaalsContact C-N 3.3Å; R427-L429 PolarHBondContact O-N 2.7Å; L429-A432 PolarHBondContact O-N 3.48Å; L429-G433 PolarHBondContact O-N 2.75Å; L429-C434 HydrophobicContact CB-CB 4.14Å; L429-C434 VanDerWaalsContact O-CB 3.31Å; L429-C434 WeakPolarHBondContact O-CB 3.5Å; L429-C434 PolarHBondContact O-N 3.13Å; L429-V436 HydrophobicContact CB-CG2 3.6Å; L429-V436 HydrophobicContact CD1-CG2 4.31Å
430	Q	96.1	Very high	97.2	Very high	49 Å²	49	23.3 Å²	23.3	23%	0.229	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-45.6	176.1	-179.8	-177.2	70.7	0	0	111.2	S426 R427 A432 G433 L520 N521	S426-Q430 WeakPolarHBondContact O-CB 3.39Å; S426-Q430 PolarHBondContact O-N 2.85Å; R427-Q430 WeakPolarHBondContact O-CB 3.22Å; R427-Q430 PolarHBondContact O-N 2.98Å; R427-Q430 VanDerWaalsContact O-N 3.16Å; Q430-A432 PolarHBondContact O-N 3.1Å; Q430-G433 WeakPolarHBondContact O-CA 3.08Å; Q430-G433 PolarHBondContact O-N 2.92Å; Q430-L520 PolarHBondContact NE2-O 2.95Å; Q430-N521 PolarHBondContact NE2-O 2.8Å
431	D	95.6	Very high	97.4	Very high	98 Å²	98	22.9 Å²	22.9	52%	0.524	14%	0.135	S	C	.	.	H	α-helix	trans	-63.7	-29.9	177.3	-74.6	-18.5	0	0	0	112.6	K332 R427 H428 G433	K332-D431 WeakPolarHBondContact CE-O 3.48Å; K332-D431 PolarHBondContact NZ-O 3.48Å; R427-D431 WeakPolarHBondContact O-CB 3.48Å; R427-D431 PolarHBondContact O-N 3.28Å; H428-D431 PolarHBondContact O-N 2.94Å; D431-G433 PolarHBondContact O-N 3.11Å
432	A	96.7	Very high	97.5	Very high	22 Å²	22	25.5 Å²	25.5	18%	0.182	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.3	172.3	0	0	0	0	0	113.5	K332 F334 T336 H428 L429 Q430	K332-A432 HydrophobicContact CB-CB 4.43Å; K332-A432 HydrophobicContact CD-CB 4.37Å; K332-A432 HydrophobicContact CG-CB 4.17Å; F334-A432 HydrophobicContact CE1-CB 4.29Å; F334-A432 HydrophobicContact CE2-CB 4.01Å; F334-A432 HydrophobicContact CZ-CB 3.46Å; F334-A432 VanDerWaalsContact CZ-CB 3.46Å; T336-A432 WeakPolarHBondContact CG2-O 3.41Å; H428-A432 WeakPolarHBondContact O-CB 3.4Å; H428-A432 PolarHBondContact O-N 3.17Å; L429-A432 PolarHBondContact O-N 3.48Å; Q430-A432 PolarHBondContact O-N 3.1Å
433	G	96.3	Very high	97.4	Very high	57 Å²	57	26.5 Å²	26.5	59%	0.588	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	15.5	178.8	0	0	0	0	0	114.7	L429 Q430 D431	L429-G433 PolarHBondContact O-N 2.75Å; Q430-G433 WeakPolarHBondContact O-CA 3.08Å; Q430-G433 PolarHBondContact O-N 2.92Å; D431-G433 PolarHBondContact O-N 3.11Å
434	C	97.7	Very high	97.3	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.054	17%	0.165	C	C	.	.			trans	-72.3	141.8	175.4	-59.7	0	0	0	0	110.8	L429 V436	L429-C434 HydrophobicContact CB-CB 4.14Å; L429-C434 VanDerWaalsContact O-CB 3.31Å; L429-C434 WeakPolarHBondContact O-CB 3.5Å; L429-C434 PolarHBondContact O-N 3.13Å; C434-V436 HydrophobicContact CB-CG2 4.13Å; C434-V436 PolarHBondContact O-N 3.09Å
435	P	98.3	Very high	97.1	Very high	45 Å²	45	27 Å²	27	29%	0.292	16%	0.155	S	C	.	.			trans	-67.1	113.2	163	-18.6	31.9	0	0	0	109.8	P338 Y339	P338-P435 WeakPolarHBondContact CA-O 3.43Å; P338-P435 HydrophobicContact CB-CB 4.37Å; P338-P435 HydrophobicContact CG-CG 4.33Å; Y339-P435 PolarHBondContact N-O 2.75Å
436	V	98.7	Very high	96.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.5	-175.5	179.7	0	0	0	0	110.8	Y339 L341 L429 C434 Q519 L520	Y339-V436 CarbonylContact O-C 3.57Å; Y339-V436 VanDerWaalsContact O-CA 3.31Å; Y339-V436 WeakPolarHBondContact O-CA 3.47Å; L341-V436 HydrophobicContact CD2-CG1 3.55Å; L429-V436 HydrophobicContact CB-CG2 3.6Å; L429-V436 HydrophobicContact CD1-CG2 4.31Å; C434-V436 HydrophobicContact CB-CG2 4.13Å; C434-V436 PolarHBondContact O-N 3.09Å; V436-Q519 CarbonylContact O-C 3.53Å; V436-Q519 WeakPolarHBondContact O-CA 3.24Å; V436-Q519 WeakPolarHBondContact O-CG 3.49Å; V436-L520 HydrophobicContact CB-CB 4.03Å; V436-L520 HydrophobicContact CB-CD2 4.32Å; V436-L520 HydrophobicContact CG1-CB 4.03Å; V436-L520 HydrophobicContact CG1-CD2 3.79Å; V436-L520 WeakPolarHBondContact O-CB 3.48Å; V436-L520 PolarHBondContact O-N 2.76Å
437	F	98.8	Very high	96.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.1	171.6	-66.2	-89.7	0	0	0	109.4	Y339 L340 L341 F503 G507 N508 P509 W517 P518 Q519	Y339-F437 PolarHBondContact O-N 2.92Å; L340-F437 WeakPolarHBondContact CA-O 3.18Å; L340-F437 HydrophobicContact CG-CB 4.29Å; L341-F437 PolarHBondContact N-O 2.99Å; F437-F503 HydrophobicContact CD2-CD2 4.4Å; F437-F503 HydrophobicContact CD2-CE2 4.07Å; F437-G507 WeakPolarHBondContact CE2-O 3.24Å; F437-N508 HydrophobicContact CZ-CB 4.23Å; F437-P509 HydrophobicContact CB-CG 4.35Å; F437-P509 HydrophobicContact CD1-CG 3.67Å; F437-P509 HydrophobicContact CD2-CG 4.41Å; F437-P509 HydrophobicContact CE1-CG 4.05Å; F437-P509 HydrophobicContact CG-CG 3.88Å; F437-W517 HydrophobicContact CB-CZ2 4.49Å; F437-W517 AromaticContact CD1-CD1 3.85Å; F437-W517 HydrophobicContact CD1-CG 4.17Å; F437-P518 WeakPolarHBondContact CD1-O 3.2Å; F437-Q519 HydrophobicContact CD1-CB 4.38Å; F437-Q519 HydrophobicContact CE1-CB 3.76Å; F437-Q519 HydrophobicContact CE1-CG 4.41Å; F437-Q519 HydrophobicContact CE2-CG 4.46Å; F437-Q519 HydrophobicContact CZ-CB 3.89Å; F437-Q519 HydrophobicContact CZ-CG 4.17Å
438	L	98.8	Very high	95.7	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.4	-177.6	-176.3	65	0	0	0	110.7	L341 T422 L423 W517 L520 Y526 L527	L341-L438 HydrophobicContact CD2-CD1 4.38Å; L341-L438 HydrophobicContact CG-CD1 4.24Å; L341-L438 CarbonylContact O-C 3.57Å; L341-L438 VanDerWaalsContact O-CA 3.25Å; L341-L438 WeakPolarHBondContact O-CA 3.43Å; T422-L438 HydrophobicContact CG2-CD1 4.41Å; L423-L438 HydrophobicContact CD2-CD1 4.42Å; L423-L438 HydrophobicContact CD2-CD2 3.63Å; L438-W517 PolarHBondContact O-NE1 2.97Å; L438-L520 HydrophobicContact CB-CD1 4.3Å; L438-L520 HydrophobicContact CD2-CD1 4.26Å; L438-Y526 WeakPolarHBondContact O-CA 3.43Å; L438-Y526 WeakPolarHBondContact O-CB 3.4Å; L438-L527 PolarHBondContact O-N 3.07Å
439	Y	98.8	Very high	95.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	159.1	168.2	72.9	-87.9	0	0	0	114	Q257 L340 L341 G342 V343 F441 W500 W517 L527 I529	Q257-Y439 WeakPolarHBondContact CB-OH 3.48Å; Q257-Y439 WeakPolarHBondContact CG-OH 3.32Å; L340-Y439 HydrophobicContact CD2-CD1 3.69Å; L340-Y439 HydrophobicContact CD2-CE1 3.68Å; L341-Y439 WeakPolarHBondContact O-CD1 3.4Å; L341-Y439 PolarHBondContact O-N 2.98Å; G342-Y439 VanDerWaalsContact CA-CE1 3.49Å; G342-Y439 WeakPolarHBondContact CA-O 3.15Å; V343-Y439 PolarHBondContact N-O 2.87Å; Y439-F441 HydrophobicContact CD2-CB 4.15Å; Y439-F441 HydrophobicContact CE2-CB 3.98Å; Y439-W500 HydrophobicContact CD1-CH2 4.17Å; Y439-W500 AromaticContact CE1-CH2 3.98Å; Y439-W500 HydrophobicContact CE1-CH2 3.98Å; Y439-W500 AromaticContact CE1-CZ2 3.91Å; Y439-W500 HydrophobicContact CE1-CZ2 3.91Å; Y439-W517 AromaticContact CD1-CH2 3.94Å; Y439-W517 HydrophobicContact CD1-CH2 3.94Å; Y439-W517 AromaticContact CD1-CZ2 3.81Å; Y439-W517 HydrophobicContact CD1-CZ2 3.81Å; Y439-W517 HydrophobicContact CG-CH2 4.22Å; Y439-W517 HydrophobicContact CG-CZ2 4.05Å; Y439-L527 CarbonylContact C-O 3.56Å; Y439-L527 WeakPolarHBondContact CA-O 3.27Å; Y439-L527 WeakPolarHBondContact CB-O 3.02Å; Y439-I529 HydrophobicContact CD2-CD1 3.79Å; Y439-I529 HydrophobicContact CG-CD1 3.75Å
440	E	98.8	Very high	94.5	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.5	158.1	-172.4	-176.4	-132.1	0	0	108.7	V343 N345 Q442 Y526 L527 E528 I529 L539	V343-E440 HydrophobicContact CG2-CG 4.43Å; V343-E440 CarbonylContact O-C 3.58Å; V343-E440 VanDerWaalsContact O-CA 3.26Å; V343-E440 WeakPolarHBondContact O-CA 3.24Å; N345-E440 HydrophobicContact CB-CG 4.01Å; E440-Q442 HydrophobicContact CG-CG 4.17Å; E440-Q442 PolarHBondContact OE2-NE2 2.91Å; E440-Y526 HydrophobicContact CB-CD2 4.19Å; E440-Y526 HydrophobicContact CB-CE2 3.81Å; E440-L527 PolarHBondContact N-O 2.83Å; E440-E528 WeakPolarHBondContact O-CA 3.18Å; E440-I529 PolarHBondContact O-N 3.02Å; E440-L539 HydrophobicContact CB-CD1 4.33Å; E440-L539 HydrophobicContact CB-CD2 4.19Å; E440-L539 HydrophobicContact CG-CD1 4.47Å
441	F	98.8	Very high	94	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128	176	-178.4	-98.8	0	0	0	109.9	V343 N344 N345 Y439 H443 A458 E463 F466 L492 M496 I529	V343-F441 PolarHBondContact O-N 3.12Å; N344-F441 CarbonylContact C-O 3.53Å; N344-F441 WeakPolarHBondContact CA-O 3.44Å; N344-F441 WeakPolarHBondContact OD1-CB 3.49Å; N345-F441 PolarHBondContact N-O 3.43Å; Y439-F441 HydrophobicContact CD2-CB 4.15Å; Y439-F441 HydrophobicContact CE2-CB 3.98Å; F441-H443 HydrophobicContact CE1-CB 4.22Å; F441-H443 WeakPolarHBondContact CE1-O 3.45Å; F441-H443 HydrophobicContact CE2-CB 4.2Å; F441-H443 HydrophobicContact CZ-CB 3.76Å; F441-A458 HydrophobicContact CD1-CB 3.73Å; F441-A458 HydrophobicContact CE1-CB 4.09Å; F441-A458 VanDerWaalsContact O-CB 3.31Å; F441-A458 WeakPolarHBondContact O-CB 3.38Å; F441-E463 HydrophobicContact CB-CB 4.2Å; F441-E463 HydrophobicContact CD1-CB 3.85Å; F441-E463 HydrophobicContact CD2-CB 3.91Å; F441-E463 HydrophobicContact CE1-CB 4.19Å; F441-E463 HydrophobicContact CE2-CB 4.23Å; F441-E463 HydrophobicContact CG-CB 3.72Å; F441-E463 HydrophobicContact CZ-CB 4.37Å; F441-F466 AromaticContact CZ-CD2 3.97Å; F441-F466 HydrophobicContact CZ-CD2 3.97Å; F441-F466 HydrophobicContact CZ-CE2 4.11Å; F441-L492 HydrophobicContact CE2-CD2 4.23Å; F441-M496 HydrophobicContact CD2-CE 3.98Å; F441-M496 HydrophobicContact CD2-SD 4.19Å; F441-M496 HydrophobicContact CE2-CE 3.98Å; F441-M496 HydrophobicContact CE2-SD 3.73Å; F441-I529 HydrophobicContact CD2-CB 4.01Å; F441-I529 HydrophobicContact CD2-CG2 3.65Å; F441-I529 HydrophobicContact CE2-CG2 4.1Å
442	Q	97.4	Very high	93.7	Very high	67 Å²	67	31.1 Å²	31.1	31%	0.313	19%	0.192	S	C	.	.			trans	-125.9	0.4	-166.9	-61	-172.4	-8.4	0	0	114.2	N345 E440 I529	N345-Q442 HydrophobicContact CB-CG 4.09Å; N345-Q442 WeakPolarHBondContact ND2-CA 3.31Å; N345-Q442 WeakPolarHBondContact ND2-CB 2.87Å; E440-Q442 HydrophobicContact CG-CG 4.17Å; E440-Q442 PolarHBondContact OE2-NE2 2.91Å; Q442-I529 PolarHBondContact N-O 3.05Å
443	H	97.2	Very high	93.3	Very high	25 Å²	25	32.3 Å²	32.3	12%	0.116	20%	0.198	C	C	.	.			trans	-87.2	132	-178.3	-176.4	61.9	0	0	0	112.4	F441 P445 A458 F466 E489 L492	F441-H443 HydrophobicContact CE1-CB 4.22Å; F441-H443 WeakPolarHBondContact CE1-O 3.45Å; F441-H443 HydrophobicContact CE2-CB 4.2Å; F441-H443 HydrophobicContact CZ-CB 3.76Å; H443-P445 WeakPolarHBondContact O-CD 2.75Å; H443-A458 WeakPolarHBondContact O-CB 3.45Å; H443-F466 AromaticContact CD2-CZ 3.62Å; H443-E489 IonicContact CD2-OE1 3.83Å; H443-E489 IonicContact CE1-OE1 2.76Å; H443-E489 WeakPolarHBondContact NE2-CG 3.07Å; H443-E489 IonicContact NE2-OE1 2.79Å; H443-E489 PolarHBondContact NE2-OE1 2.92Å; H443-L492 HydrophobicContact CB-CD2 3.83Å
444	T	94.6	Very high	93.1	Very high	57 Å²	57	35 Å²	35	35%	0.35	21%	0.214	S	C	.	.			trans	-88.4	113.4	169.9	-56.4	0	0	0	0	109.1	S446 F448 V456 K457	T444-S446 PolarHBondContact O-N 3.11Å; T444-F448 HydrophobicContact CG2-CB 4.36Å; T444-F448 HydrophobicContact CG2-CD2 3.89Å; T444-F448 HydrophobicContact CG2-CG 4.48Å; T444-V456 WeakPolarHBondContact CG2-O 3.28Å; T444-K457 VanDerWaalsContact OG1-C 3.3Å; T444-K457 VanDerWaalsContact OG1-CA 3.24Å; T444-K457 WeakPolarHBondContact OG1-CA 3.28Å
445	P	91.3	Very high	92.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.019	23%	0.228	C	C	.	.			trans	-60.4	135	178.5	-17.9	30.7	0	0	0	111.2	H443 S447 F448 F466 E489	H443-P445 WeakPolarHBondContact O-CD 2.75Å; P445-S447 PolarHBondContact O-N 3.41Å; P445-S447 VanDerWaalsContact O-N 3.15Å; P445-F448 HydrophobicContact CB-CD1 4.01Å; P445-F448 HydrophobicContact CB-CE1 4.06Å; P445-F448 HydrophobicContact CB-CG 4.41Å; P445-F448 HydrophobicContact CB-CZ 4.49Å; P445-F448 VanDerWaalsContact CD-CE2 3.47Å; P445-F448 HydrophobicContact CG-CD1 4.07Å; P445-F448 HydrophobicContact CG-CD2 4.38Å; P445-F448 HydrophobicContact CG-CE1 3.69Å; P445-F448 HydrophobicContact CG-CE2 4.03Å; P445-F448 HydrophobicContact CG-CG 4.41Å; P445-F448 HydrophobicContact CG-CZ 3.67Å; P445-F448 VanDerWaalsContact O-CB 3.26Å; P445-F448 WeakPolarHBondContact O-CB 3.27Å; P445-F448 PolarHBondContact O-N 3.37Å; P445-F466 HydrophobicContact CB-CE2 4.08Å; P445-F466 HydrophobicContact CB-CZ 4.32Å; P445-F466 HydrophobicContact CG-CE2 3.87Å; P445-F466 HydrophobicContact CG-CZ 4.49Å; P445-E489 WeakPolarHBondContact CA-OE1 3.38Å
446	S	91.1	Very high	92.5	Very high	44 Å²	44	36.8 Å²	36.8	31%	0.308	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-56.6	-31.3	178.6	61.6	0	0	0	0	112.8	T444 F448 A449 E489	T444-S446 PolarHBondContact O-N 3.11Å; S446-F448 PolarHBondContact O-N 2.96Å; S446-F448 VanDerWaalsContact O-N 3.16Å; S446-A449 WeakPolarHBondContact O-CB 3.35Å; S446-A449 PolarHBondContact O-N 3.28Å; S446-E489 WeakPolarHBondContact CB-OE2 3.46Å; S446-E489 PolarHBondContact N-OE1 3.09Å; S446-E489 PolarHBondContact OG-OE1 3.49Å; S446-E489 PolarHBondContact OG-OE2 2.98Å
447	S	85.2	Confident	92.3	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.07	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.8	-24.8	175.5	62.9	0	0	0	0	113.4	P445 A449 K450 F451 E484	P445-S447 PolarHBondContact O-N 3.41Å; P445-S447 VanDerWaalsContact O-N 3.15Å; S447-A449 PolarHBondContact O-N 3.22Å; S447-K450 PolarHBondContact O-N 3.02Å; S447-F451 WeakPolarHBondContact O-CD1 3.29Å; S447-F451 WeakPolarHBondContact O-CE1 3.14Å; S447-E484 WeakPolarHBondContact CA-OE1 3.41Å; S447-E484 WeakPolarHBondContact CB-OE1 3.24Å
448	F	85.3	Confident	92.1	Very high	16 Å²	16	40.6 Å²	40.6	7%	0.07	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-64.6	-28.2	179.3	-74.7	10	0	0	0	112.7	T444 P445 S446 K450 F451 K452 D459 S462	T444-F448 HydrophobicContact CG2-CB 4.36Å; T444-F448 HydrophobicContact CG2-CD2 3.89Å; T444-F448 HydrophobicContact CG2-CG 4.48Å; P445-F448 HydrophobicContact CB-CD1 4.01Å; P445-F448 HydrophobicContact CB-CE1 4.06Å; P445-F448 HydrophobicContact CB-CG 4.41Å; P445-F448 HydrophobicContact CB-CZ 4.49Å; P445-F448 VanDerWaalsContact CD-CE2 3.47Å; P445-F448 HydrophobicContact CG-CD1 4.07Å; P445-F448 HydrophobicContact CG-CD2 4.38Å; P445-F448 HydrophobicContact CG-CE1 3.69Å; P445-F448 HydrophobicContact CG-CE2 4.03Å; P445-F448 HydrophobicContact CG-CG 4.41Å; P445-F448 HydrophobicContact CG-CZ 3.67Å; P445-F448 VanDerWaalsContact O-CB 3.26Å; P445-F448 WeakPolarHBondContact O-CB 3.27Å; P445-F448 PolarHBondContact O-N 3.37Å; S446-F448 PolarHBondContact O-N 2.96Å; S446-F448 VanDerWaalsContact O-N 3.16Å; F448-K450 PolarHBondContact O-N 3.17Å; F448-F451 HydrophobicContact CD1-CE1 4.19Å; F448-F451 HydrophobicContact CD1-CE2 4.12Å; F448-F451 AromaticContact CD1-CZ 3.5Å; F448-F451 HydrophobicContact CD1-CZ 3.5Å; F448-F451 HydrophobicContact CE1-CE2 4.48Å; F448-F451 AromaticContact CE1-CZ 3.95Å; F448-F451 HydrophobicContact CE1-CZ 3.95Å; F448-F451 HydrophobicContact CG-CZ 4.36Å; F448-F451 PolarHBondContact O-N 2.81Å; F448-K452 HydrophobicContact CB-CB 4.19Å; F448-K452 HydrophobicContact CB-CD 4.29Å; F448-K452 HydrophobicContact CB-CG 4.18Å; F448-K452 HydrophobicContact CD1-CD 4.32Å; F448-K452 HydrophobicContact CD2-CD 3.58Å; F448-K452 HydrophobicContact CD2-CG 4.38Å; F448-K452 HydrophobicContact CE2-CD 3.88Å; F448-K452 HydrophobicContact CG-CD 3.82Å; F448-K452 HydrophobicContact CG-CG 4.19Å; F448-K452 HydrophobicContact CZ-CD 4.37Å; F448-K452 PolarHBondContact O-N 3.2Å; F448-D459 HydrophobicContact CE2-CB 3.96Å; F448-D459 HydrophobicContact CZ-CB 4.5Å; F448-S462 VanDerWaalsContact CE2-OG 3.26Å; F448-S462 WeakPolarHBondContact CE2-OG 3.36Å; F448-S462 WeakPolarHBondContact CZ-OG 3.13Å
449	A	85	Confident	92	Very high	91 Å²	91	40.3 Å²	40.3	75%	0.752	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-57.7	-18.6	179.8	0	0	0	0	0	113.3	S446 S447	S446-A449 WeakPolarHBondContact O-CB 3.35Å; S446-A449 PolarHBondContact O-N 3.28Å; S447-A449 PolarHBondContact O-N 3.22Å
450	K	84.2	Confident	91.8	Very high	129 Å²	129	40.8 Å²	40.8	56%	0.561	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-78.9	-25.9	178.2	-62.3	174.1	179.9	175.7	0	113.7	S447 F448 E484	S447-K450 PolarHBondContact O-N 3.02Å; F448-K450 PolarHBondContact O-N 3.17Å; K450-E484 WeakPolarHBondContact CE-OE1 3.26Å; K450-E484 IonicContact NZ-OE1 3.3Å; K450-E484 PolarHBondContact NZ-OE1 2.89Å; K450-E484 IonicContact NZ-OE2 3.69Å; K450-E484 PolarHBondContact NZ-OE2 3.38Å
451	F	84.8	Confident	91.5	Very high	45 Å²	45	41 Å²	41	20%	0.197	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.6	-9.5	-166.5	62.5	-96.4	0	0	0	115.7	L114 N115 W350 S447 F448	L114-F451 HydrophobicContact CB-CE2 4.44Å; L114-F451 HydrophobicContact CD2-CE2 4.31Å; L114-F451 WeakPolarHBondContact O-CD2 3.37Å; L114-F451 WeakPolarHBondContact O-CE2 3.22Å; L114-F451 WeakPolarHBondContact O-CG 3.35Å; L114-F451 WeakPolarHBondContact O-CZ 3.42Å; N115-F451 HydrophobicContact CB-CD1 3.93Å; N115-F451 HydrophobicContact CB-CE1 3.67Å; N115-F451 HydrophobicContact CB-CZ 4.2Å; N115-F451 WeakPolarHBondContact OD1-CD1 3.4Å; W350-F451 HydrophobicContact CH2-CD2 4.07Å; W350-F451 WeakPolarHBondContact CZ2-O 3.35Å; W350-F451 HydrophobicContact CZ3-CD2 4.09Å; W350-F451 HydrophobicContact CZ3-CE2 4.36Å; S447-F451 WeakPolarHBondContact O-CD1 3.29Å; S447-F451 WeakPolarHBondContact O-CE1 3.14Å; F448-F451 HydrophobicContact CD1-CE1 4.19Å; F448-F451 HydrophobicContact CD1-CE2 4.12Å; F448-F451 AromaticContact CD1-CZ 3.5Å; F448-F451 HydrophobicContact CD1-CZ 3.5Å; F448-F451 HydrophobicContact CE1-CE2 4.48Å; F448-F451 AromaticContact CE1-CZ 3.95Å; F448-F451 HydrophobicContact CE1-CZ 3.95Å; F448-F451 HydrophobicContact CG-CZ 4.36Å; F448-F451 PolarHBondContact O-N 2.81Å
452	K	89.2	Confident	91.3	Very high	14 Å²	14	41.1 Å²	41.1	6%	0.061	24%	0.238	C	C	.	.	S	Bend	trans	-114	148.3	175	-54.9	-159.9	-170.7	177.7	0	111.2	W350 F448 V456 D459	W350-K452 HydrophobicContact CB-CD 4.19Å; W350-K452 HydrophobicContact CD2-CD 4.1Å; W350-K452 HydrophobicContact CD2-CG 4.03Å; W350-K452 HydrophobicContact CE3-CD 3.84Å; W350-K452 HydrophobicContact CE3-CG 3.93Å; W350-K452 HydrophobicContact CG-CD 4.29Å; W350-K452 HydrophobicContact CG-CG 4.45Å; W350-K452 HydrophobicContact CZ3-CD 4.46Å; W350-K452 HydrophobicContact CZ3-CG 4.23Å; F448-K452 HydrophobicContact CB-CB 4.19Å; F448-K452 HydrophobicContact CB-CD 4.29Å; F448-K452 HydrophobicContact CB-CG 4.18Å; F448-K452 HydrophobicContact CD1-CD 4.32Å; F448-K452 HydrophobicContact CD2-CD 3.58Å; F448-K452 HydrophobicContact CD2-CG 4.38Å; F448-K452 HydrophobicContact CE2-CD 3.88Å; F448-K452 HydrophobicContact CG-CD 3.82Å; F448-K452 HydrophobicContact CG-CG 4.19Å; F448-K452 HydrophobicContact CZ-CD 4.37Å; F448-K452 PolarHBondContact O-N 3.2Å; K452-V456 HydrophobicContact CB-CB 4.33Å; K452-V456 HydrophobicContact CB-CG2 4.27Å; K452-V456 HydrophobicContact CD-CB 4.48Å; K452-V456 HydrophobicContact CD-CG1 3.89Å; K452-D459 VanDerWaalsContact NZ-CB 3.31Å; K452-D459 IonicContact NZ-OD2 2.77Å; K452-D459 PolarHBondContact NZ-OD2 2.89Å
453	P	89.8	Confident	91.2	Very high	47 Å²	47	37.9 Å²	37.9	31%	0.305	22%	0.223	S	C	.	.			trans	-58.8	146.4	169.7	-23.6	34.1	0	0	0	112.6	W455 V456	P453-W455 HydrophobicContact CB-CD2 4.07Å; P453-W455 VanDerWaalsContact CB-CE2 3.43Å; P453-W455 HydrophobicContact CB-CG 4.21Å; P453-W455 HydrophobicContact CB-CZ2 3.85Å; P453-W455 HydrophobicContact CG-CZ2 3.78Å; P453-W455 PolarHBondContact O-N 3.41Å; P453-V456 HydrophobicContact CB-CG2 4.34Å; P453-V456 WeakPolarHBondContact O-CB 3.48Å; P453-V456 WeakPolarHBondContact O-CG2 3.35Å; P453-V456 PolarHBondContact O-N 3.47Å
454	A	90.8	Very high	91.1	Very high	113 Å²	113	37 Å²	37	93%	0.934	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.6	-175.7	0	0	0	0	0	115	V456	A454-V456 VanDerWaalsContact C-N 3.27Å
455	W	90.1	Very high	91.1	Very high	88 Å²	88	35.4 Å²	35.4	33%	0.333	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.2	177.6	53.3	-103.8	0	0	0	113.2	H346 G349 P453 K457	H346-W455 AromaticContact CE1-CZ3 3.97Å; G349-W455 WeakPolarHBondContact O-CH2 3.28Å; G349-W455 WeakPolarHBondContact O-CZ3 3.26Å; P453-W455 HydrophobicContact CB-CD2 4.07Å; P453-W455 VanDerWaalsContact CB-CE2 3.43Å; P453-W455 HydrophobicContact CB-CG 4.21Å; P453-W455 HydrophobicContact CB-CZ2 3.85Å; P453-W455 HydrophobicContact CG-CZ2 3.78Å; P453-W455 PolarHBondContact O-N 3.41Å; W455-K457 PolarHBondContact O-N 3.35Å
456	V	93.2	Very high	91.4	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.024	21%	0.21	C	C	.	.			trans	-74.8	118.8	177.8	-178.8	0	0	0	0	109.8	W350 T444 K452 P453 A454 D459	W350-V456 HydrophobicContact CB-CG1 4.12Å; W350-V456 HydrophobicContact CB-CG2 3.81Å; W350-V456 HydrophobicContact CG-CG2 4.37Å; T444-V456 WeakPolarHBondContact CG2-O 3.28Å; K452-V456 HydrophobicContact CB-CB 4.33Å; K452-V456 HydrophobicContact CB-CG2 4.27Å; K452-V456 HydrophobicContact CD-CB 4.48Å; K452-V456 HydrophobicContact CD-CG1 3.89Å; P453-V456 HydrophobicContact CB-CG2 4.34Å; P453-V456 WeakPolarHBondContact O-CB 3.48Å; P453-V456 WeakPolarHBondContact O-CG2 3.35Å; P453-V456 PolarHBondContact O-N 3.47Å; A454-V456 VanDerWaalsContact C-N 3.27Å; V456-D459 HydrophobicContact CG1-CB 3.78Å
457	K	95.3	Very high	91.7	Very high	82 Å²	82	33.2 Å²	33.2	36%	0.357	20%	0.195	S	C	.	.			trans	-80.9	-144.2	172.2	-53	176.9	-174.9	171	0	112	N345 H346 Y407 T444 W455 D459	N345-K457 WeakPolarHBondContact OD1-CB 3.36Å; H346-K457 HydrophobicContact CB-CB 3.83Å; H346-K457 PolarHBondContact ND1-N 3.04Å; H346-K457 VanDerWaalsContact ND1-N 3.15Å; Y407-K457 PolarHBondContact OH-NZ 3.18Å; T444-K457 VanDerWaalsContact OG1-C 3.3Å; T444-K457 VanDerWaalsContact OG1-CA 3.24Å; T444-K457 WeakPolarHBondContact OG1-CA 3.28Å; W455-K457 PolarHBondContact O-N 3.35Å; K457-D459 PolarHBondContact O-N 3.38Å
458	A	95.8	Very high	92.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-71.3	94.3	173.1	0	0	0	0	0	110.3	N344 N345 H346 F441 H443	N344-A458 HydrophobicContact CB-CB 4.22Å; N344-A458 VanDerWaalsContact CB-O 3.27Å; N344-A458 WeakPolarHBondContact CB-O 3.16Å; N345-A458 VanDerWaalsContact OD1-CB 3.28Å; N345-A458 WeakPolarHBondContact OD1-CB 3.48Å; N345-A458 PolarHBondContact OD1-N 3.38Å; N345-A458 VanDerWaalsContact OD1-N 3.14Å; H346-A458 CarbonylContact C-O 3.5Å; H346-A458 WeakPolarHBondContact CA-O 3.34Å; H346-A458 WeakPolarHBondContact CB-O 3.48Å; H346-A458 PolarHBondContact N-O 3.1Å; F441-A458 HydrophobicContact CD1-CB 3.73Å; F441-A458 HydrophobicContact CE1-CB 4.09Å; F441-A458 VanDerWaalsContact O-CB 3.31Å; F441-A458 WeakPolarHBondContact O-CB 3.38Å; H443-A458 WeakPolarHBondContact O-CB 3.45Å
459	D	95.3	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-75.2	170.8	-178.7	-167.4	24.9	0	0	0	112.4	N344 H346 G349 W350 L351 F448 K452 V456 K457 G461 S462	N344-D459 PolarHBondContact ND2-O 2.93Å; H346-D459 WeakPolarHBondContact O-CA 3.43Å; G349-D459 PolarHBondContact N-OD1 2.97Å; W350-D459 WeakPolarHBondContact CB-OD2 3.29Å; W350-D459 PolarHBondContact N-OD1 3.33Å; L351-D459 VanDerWaalsContact CB-OD2 3.3Å; L351-D459 WeakPolarHBondContact CB-OD2 3.49Å; L351-D459 PolarHBondContact N-OD1 2.91Å; L351-D459 PolarHBondContact N-OD2 3.49Å; F448-D459 HydrophobicContact CE2-CB 3.96Å; F448-D459 HydrophobicContact CZ-CB 4.5Å; K452-D459 VanDerWaalsContact NZ-CB 3.31Å; K452-D459 IonicContact NZ-OD2 2.77Å; K452-D459 PolarHBondContact NZ-OD2 2.89Å; V456-D459 HydrophobicContact CG1-CB 3.78Å; K457-D459 PolarHBondContact O-N 3.38Å; D459-G461 PolarHBondContact O-N 2.94Å; D459-S462 VanDerWaalsContact C-OG 3.28Å; D459-S462 WeakPolarHBondContact CA-OG 3.36Å; D459-S462 PolarHBondContact N-OG 2.95Å; D459-S462 VanDerWaalsContact O-CB 3.28Å; D459-S462 WeakPolarHBondContact O-CB 3.43Å; D459-S462 PolarHBondContact O-N 2.99Å; D459-S462 VanDerWaalsContact O-N 3.1Å; D459-S462 PolarHBondContact O-OG 2.91Å
460	H	95.5	Very high	93.3	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.042	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	127.9	176	-167.1	64.6	0	0	0	112.6	S232 E347 L351 M352 F418 S462	S232-H460 WeakPolarHBondContact CB-NE2 3.48Å; S232-H460 PolarHBondContact OG-NE2 3.09Å; E347-H460 WeakPolarHBondContact O-CB 3.3Å; E347-H460 WeakPolarHBondContact OE2-CA 3.39Å; E347-H460 IonicContact OE2-CE1 3.85Å; E347-H460 IonicContact OE2-CG 3.43Å; E347-H460 IonicContact OE2-ND1 2.82Å; E347-H460 PolarHBondContact OE2-ND1 3.26Å; L351-H460 HydrophobicContact CB-CB 4.48Å; L351-H460 HydrophobicContact CD2-CB 4.27Å; L351-H460 WeakPolarHBondContact CD2-O 3.42Å; M352-H460 HydrophobicContact CG-CB 3.78Å; M352-H460 HydrophobicContact SD-CB 4.44Å; M352-H460 VanDerWaalsContact SD-CD2 3.51Å; F418-H460 AromaticContact CE1-CE1 3.5Å; F418-H460 AromaticContact CE2-ND1 3.99Å; F418-H460 AromaticContact CZ-CE1 3.36Å; F418-H460 WeakPolarHBondContact CZ-CE1 3.44Å; F418-H460 AromaticContact CZ-ND1 3.72Å; F418-H460 AromaticContact CZ-NE2 3.94Å; H460-S462 VanDerWaalsContact C-N 3.33Å; H460-S462 PolarHBondContact O-N 3.12Å
461	G	92.4	Very high	93.9	Very high	17 Å²	17	21.9 Å²	21.9	18%	0.175	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	5.3	179.5	0	0	0	0	0	115.8	N344 D459 E463 S464 P465	N344-G461 PolarHBondContact ND2-N 3.37Å; D459-G461 PolarHBondContact O-N 2.94Å; G461-E463 WeakPolarHBondContact CA-OE2 3.49Å; G461-E463 PolarHBondContact O-N 2.79Å; G461-S464 WeakPolarHBondContact O-CB 3.24Å; G461-S464 PolarHBondContact O-N 3.05Å; G461-P465 WeakPolarHBondContact O-CD 3.46Å
462	S	94.1	Very high	94.5	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.2	-177.2	-57.2	0	0	0	0	113.9	N344 F448 D459 H460 F466	N344-S462 PolarHBondContact ND2-N 3.39Å; F448-S462 VanDerWaalsContact CE2-OG 3.26Å; F448-S462 WeakPolarHBondContact CE2-OG 3.36Å; F448-S462 WeakPolarHBondContact CZ-OG 3.13Å; D459-S462 VanDerWaalsContact C-OG 3.28Å; D459-S462 WeakPolarHBondContact CA-OG 3.36Å; D459-S462 PolarHBondContact N-OG 2.95Å; D459-S462 VanDerWaalsContact O-CB 3.28Å; D459-S462 WeakPolarHBondContact O-CB 3.43Å; D459-S462 PolarHBondContact O-N 2.99Å; D459-S462 VanDerWaalsContact O-N 3.1Å; D459-S462 PolarHBondContact O-OG 2.91Å; H460-S462 VanDerWaalsContact C-N 3.33Å; H460-S462 PolarHBondContact O-N 3.12Å; S462-F466 WeakPolarHBondContact O-CD2 3.45Å
463	E	96.3	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.4	179.7	82.9	-63	163	0	0	112.4	N231 Q257 N344 F441 G461 F466 I467 M496	N231-E463 PolarHBondContact ND2-OE1 2.91Å; Q257-E463 WeakPolarHBondContact CB-OE1 3.33Å; Q257-E463 PolarHBondContact NE2-OE1 2.94Å; N344-E463 PolarHBondContact ND2-OE2 2.83Å; N344-E463 PolarHBondContact OD1-OE2 3.23Å; F441-E463 HydrophobicContact CB-CB 4.2Å; F441-E463 HydrophobicContact CD1-CB 3.85Å; F441-E463 HydrophobicContact CD2-CB 3.91Å; F441-E463 HydrophobicContact CE1-CB 4.19Å; F441-E463 HydrophobicContact CE2-CB 4.23Å; F441-E463 HydrophobicContact CG-CB 3.72Å; F441-E463 HydrophobicContact CZ-CB 4.37Å; G461-E463 WeakPolarHBondContact CA-OE2 3.49Å; G461-E463 PolarHBondContact O-N 2.79Å; E463-F466 PolarHBondContact O-N 2.93Å; E463-F466 VanDerWaalsContact O-N 3.11Å; E463-I467 HydrophobicContact CB-CD1 4.4Å; E463-I467 HydrophobicContact CG-CD1 3.84Å; E463-I467 WeakPolarHBondContact O-CG1 3.44Å; E463-I467 PolarHBondContact O-N 2.89Å; E463-M496 HydrophobicContact CB-CE 4.06Å
464	S	94.4	Very high	95	Very high	5 Å²	5	21.3 Å²	21.3	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-45.5	-174.3	-68.7	0	0	0	0	113.4	G461 F466 I467 F468	G461-S464 WeakPolarHBondContact O-CB 3.24Å; G461-S464 PolarHBondContact O-N 3.05Å; S464-F466 PolarHBondContact O-N 2.66Å; S464-I467 PolarHBondContact O-N 2.57Å; S464-F468 WeakPolarHBondContact O-CD2 3.19Å; S464-F468 PolarHBondContact O-N 3.18Å
465	P	94.1	Very high	94.9	Very high	25 Å²	25	18.8 Å²	18.8	16%	0.162	10%	0.099	C	C	.	.	H	α-helix	trans	-56.9	-33.1	174.2	-26.4	35.3	0	0	0	114.1	G461 G469 G470 L480 F482	G461-P465 WeakPolarHBondContact O-CD 3.46Å; P465-G469 PolarHBondContact O-N 3.36Å; P465-G470 WeakPolarHBondContact O-CA 3.19Å; P465-G470 PolarHBondContact O-N 3.29Å; P465-L480 HydrophobicContact CG-CD2 4.09Å; P465-F482 HydrophobicContact CB-CD1 3.64Å; P465-F482 HydrophobicContact CB-CE1 3.3Å; P465-F482 HydrophobicContact CB-CZ 4.28Å
466	F	97.7	Very high	94.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-74.6	-38.2	179.4	-68.6	-95.9	0	0	0	112	F441 H443 P445 S462 E463 S464 G469 F482 E489 L492 S493 M496	F441-F466 AromaticContact CZ-CD2 3.97Å; F441-F466 HydrophobicContact CZ-CD2 3.97Å; F441-F466 HydrophobicContact CZ-CE2 4.11Å; H443-F466 AromaticContact CD2-CZ 3.62Å; P445-F466 HydrophobicContact CB-CE2 4.08Å; P445-F466 HydrophobicContact CB-CZ 4.32Å; P445-F466 HydrophobicContact CG-CE2 3.87Å; P445-F466 HydrophobicContact CG-CZ 4.49Å; S462-F466 WeakPolarHBondContact O-CD2 3.45Å; E463-F466 PolarHBondContact O-N 2.93Å; E463-F466 VanDerWaalsContact O-N 3.11Å; S464-F466 PolarHBondContact O-N 2.66Å; F466-G469 PolarHBondContact O-N 2.71Å; F466-F482 HydrophobicContact CD1-CZ 4.13Å; F466-F482 HydrophobicContact CD2-CZ 4.23Å; F466-F482 HydrophobicContact CE1-CE2 4.18Å; F466-F482 AromaticContact CE1-CZ 3.86Å; F466-F482 HydrophobicContact CE1-CZ 3.86Å; F466-F482 HydrophobicContact CE2-CE2 4.41Å; F466-F482 AromaticContact CE2-CZ 3.94Å; F466-F482 HydrophobicContact CE2-CZ 3.94Å; F466-F482 HydrophobicContact CG-CZ 4.3Å; F466-F482 AromaticContact CZ-CE2 3.92Å; F466-F482 HydrophobicContact CZ-CE2 3.92Å; F466-F482 AromaticContact CZ-CZ 3.75Å; F466-F482 HydrophobicContact CZ-CZ 3.75Å; F466-E489 HydrophobicContact CE1-CB 3.89Å; F466-E489 HydrophobicContact CE1-CG 4.22Å; F466-E489 WeakPolarHBondContact CE1-O 3.35Å; F466-E489 HydrophobicContact CZ-CB 4.38Å; F466-E489 HydrophobicContact CZ-CG 4.33Å; F466-L492 HydrophobicContact CD1-CB 4.2Å; F466-L492 HydrophobicContact CD1-CD2 3.95Å; F466-L492 HydrophobicContact CD1-CG 3.85Å; F466-L492 HydrophobicContact CE1-CB 4.28Å; F466-L492 HydrophobicContact CE1-CD2 3.8Å; F466-L492 HydrophobicContact CE1-CG 4.11Å; F466-L492 HydrophobicContact CZ-CD2 4.4Å; F466-S493 PolarHBondContact O-OG 3.02Å; F466-M496 HydrophobicContact CB-CE 4.18Å; F466-M496 HydrophobicContact CB-SD 3.49Å; F466-M496 WeakPolarHBondContact CB-SD 3.44Å; F466-M496 HydrophobicContact CG-SD 4.15Å
467	I	97.5	Very high	94.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70.2	-34.9	179.1	-63.4	162.6	0	0	0	111.5	F229 E463 S464 G469 M496 M497 W500	F229-I467 HydrophobicContact CE2-CG2 4.31Å; E463-I467 HydrophobicContact CB-CD1 4.4Å; E463-I467 HydrophobicContact CG-CD1 3.84Å; E463-I467 WeakPolarHBondContact O-CG1 3.44Å; E463-I467 PolarHBondContact O-N 2.89Å; S464-I467 PolarHBondContact O-N 2.57Å; I467-G469 VanDerWaalsContact C-N 3.3Å; I467-M496 HydrophobicContact CD1-CE 4.06Å; I467-M496 HydrophobicContact CG1-CE 3.66Å; I467-M497 WeakPolarHBondContact O-CG 3.21Å; I467-W500 HydrophobicContact CD1-CD2 4.34Å; I467-W500 HydrophobicContact CD1-CH2 4.27Å; I467-W500 HydrophobicContact CD1-CZ2 3.55Å; I467-W500 HydrophobicContact CG1-CD2 4.23Å; I467-W500 HydrophobicContact CG1-CZ2 4.2Å; I467-W500 HydrophobicContact CG2-CG 4.09Å
468	F	97.6	Very high	94.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.6	176.6	-79.7	-85.9	0	0	0	113.7	W149 H163 D164 F229 S464 L480	W149-F468 HydrophobicContact CB-CZ 4.23Å; W149-F468 AromaticContact CD2-CE2 3.97Å; W149-F468 HydrophobicContact CD2-CE2 3.97Å; W149-F468 AromaticContact CD2-CZ 3.55Å; W149-F468 HydrophobicContact CD2-CZ 3.55Å; W149-F468 AromaticContact CE2-CE2 4Å; W149-F468 AromaticContact CE2-CZ 3.86Å; W149-F468 AromaticContact CE3-CE2 3.97Å; W149-F468 HydrophobicContact CE3-CE2 3.97Å; W149-F468 AromaticContact CE3-CZ 3.82Å; W149-F468 HydrophobicContact CE3-CZ 3.82Å; W149-F468 AromaticContact CG-CZ 3.74Å; W149-F468 HydrophobicContact CG-CZ 3.74Å; W149-F468 AromaticContact CH2-CE2 3.94Å; W149-F468 HydrophobicContact CH2-CE2 3.94Å; W149-F468 HydrophobicContact CZ2-CE2 4.01Å; W149-F468 HydrophobicContact CZ2-CZ 4.35Å; W149-F468 AromaticContact CZ3-CE2 3.95Å; W149-F468 HydrophobicContact CZ3-CE2 3.95Å; W149-F468 HydrophobicContact CZ3-CZ 4.28Å; H163-F468 HydrophobicContact CB-CD1 4.4Å; H163-F468 HydrophobicContact CB-CE1 3.9Å; H163-F468 HydrophobicContact CB-CZ 4Å; H163-F468 AromaticContact CD2-CE2 3.96Å; D164-F468 WeakPolarHBondContact O-CD1 3.36Å; F229-F468 HydrophobicContact CE2-CE2 4.08Å; F229-F468 AromaticContact CE2-CZ 3.84Å; F229-F468 HydrophobicContact CE2-CZ 3.84Å; F229-F468 HydrophobicContact CZ-CE1 4.29Å; F229-F468 HydrophobicContact CZ-CE2 4.49Å; F229-F468 AromaticContact CZ-CZ 3.8Å; F229-F468 HydrophobicContact CZ-CZ 3.8Å; S464-F468 WeakPolarHBondContact O-CD2 3.19Å; S464-F468 PolarHBondContact O-N 3.18Å; F468-L480 HydrophobicContact CB-CD1 3.6Å; F468-L480 HydrophobicContact CD1-CD1 4.35Å; F468-L480 HydrophobicContact CD2-CD1 3.61Å; F468-L480 HydrophobicContact CE2-CD1 4.4Å; F468-L480 HydrophobicContact CG-CD1 3.59Å
469	G	97.3	Very high	93.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	37.1	178.8	0	0	0	0	0	113.6	P465 F466 I467 P471 F472 L473 M497	P465-G469 PolarHBondContact O-N 3.36Å; F466-G469 PolarHBondContact O-N 2.71Å; I467-G469 VanDerWaalsContact C-N 3.3Å; G469-P471 VanDerWaalsContact C-N 3.3Å; G469-F472 WeakPolarHBondContact O-CA 3.26Å; G469-F472 WeakPolarHBondContact O-CB 3.39Å; G469-F472 PolarHBondContact O-N 2.79Å; G469-L473 PolarHBondContact O-N 2.9Å; G469-M497 VanDerWaalsContact CA-SD 3.58Å
470	G	94.9	Very high	93.3	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-47.2	-36.8	178.5	0	0	0	0	0	116.4	P465 F472 L480 F482	P465-G470 WeakPolarHBondContact O-CA 3.19Å; P465-G470 PolarHBondContact O-N 3.29Å; G470-F472 PolarHBondContact O-N 3.35Å; G470-L480 WeakPolarHBondContact CA-O 3.34Å; G470-F482 PolarHBondContact O-N 2.96Å
471	P	96.3	Very high	93.1	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.045	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-64.3	-22.8	173.4	-24.2	37.1	0	0	0	113.8	G469 F482 A485 K490	G469-P471 VanDerWaalsContact C-N 3.3Å; P471-F482 VanDerWaalsContact CD-CZ 3.44Å; P471-F482 HydrophobicContact CG-CD1 4.5Å; P471-F482 HydrophobicContact CG-CD2 4.37Å; P471-F482 HydrophobicContact CG-CE1 3.78Å; P471-F482 HydrophobicContact CG-CE2 3.65Å; P471-F482 HydrophobicContact CG-CZ 3.31Å; P471-A485 HydrophobicContact CB-CB 3.71Å; P471-A485 HydrophobicContact CG-CB 3.72Å; P471-K490 HydrophobicContact CB-CG 3.81Å; P471-K490 HydrophobicContact CG-CG 4.44Å
472	F	97.3	Very high	93	Very high	14 Å²	14	19.7 Å²	19.7	6%	0.061	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-104.4	-3.9	-170	-53.2	-69.8	0	0	0	113.4	V53 K54 A167 Y171 G469 G470 K490 L494 M497	V53-F472 HydrophobicContact CG1-CB 3.87Å; K54-F472 WeakPolarHBondContact CB-O 3.34Å; K54-F472 PolarHBondContact N-O 3.47Å; K54-F472 WeakPolarHBondContact O-CB 3.38Å; K54-F472 WeakPolarHBondContact O-CD1 3.34Å; A167-F472 HydrophobicContact CB-CB 4.09Å; Y171-F472 HydrophobicContact CE2-CB 3.79Å; Y171-F472 HydrophobicContact CE2-CD1 4.06Å; Y171-F472 AromaticContact CE2-CD2 3.94Å; Y171-F472 HydrophobicContact CE2-CD2 3.94Å; Y171-F472 AromaticContact CE2-CG 3.65Å; Y171-F472 HydrophobicContact CE2-CG 3.65Å; Y171-F472 AromaticContact CZ-CD1 4Å; Y171-F472 WeakPolarHBondContact OH-CD1 3.49Å; G469-F472 WeakPolarHBondContact O-CA 3.26Å; G469-F472 WeakPolarHBondContact O-CB 3.39Å; G469-F472 PolarHBondContact O-N 2.79Å; G470-F472 PolarHBondContact O-N 3.35Å; F472-K490 HydrophobicContact CE1-CB 4.28Å; F472-K490 HydrophobicContact CE1-CG 4.26Å; F472-K490 HydrophobicContact CZ-CB 3.82Å; F472-K490 HydrophobicContact CZ-CG 4.14Å; F472-L494 HydrophobicContact CE2-CD2 3.9Å; F472-L494 HydrophobicContact CE2-CG 3.91Å; F472-L494 HydrophobicContact CZ-CD1 4.04Å; F472-L494 HydrophobicContact CZ-CD2 3.82Å; F472-L494 HydrophobicContact CZ-CG 3.65Å; F472-M497 HydrophobicContact CD2-CE 3.87Å; F472-M497 HydrophobicContact CE2-CE 3.92Å
473	L	95.2	Very high	92.7	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	12%	0.124	C	C	.	.			trans	-68.5	136.8	177.1	-62.8	179.9	0	0	0	111.2	K54 D164 A167 G469 N478 A481	K54-L473 WeakPolarHBondContact CD-O 3.34Å; K54-L473 WeakPolarHBondContact CE-O 3.27Å; K54-L473 PolarHBondContact NZ-O 3.12Å; D164-L473 HydrophobicContact CB-CD1 4.21Å; D164-L473 HydrophobicContact CB-CD2 4.08Å; A167-L473 HydrophobicContact CB-CD2 4Å; G469-L473 PolarHBondContact O-N 2.9Å; L473-N478 HydrophobicContact CD1-CB 4.26Å; L473-A481 HydrophobicContact CB-CB 4.29Å; L473-A481 HydrophobicContact CD1-CB 4.21Å
474	T	93.3	Very high	92.4	Very high	77 Å²	77	24.5 Å²	24.5	47%	0.472	14%	0.137	S	C	.	.	S	Bend	trans	-80	-32.1	174.4	54.3	0	0	0	0	112.2	G52 K54 E476	G52-T474 VanDerWaalsContact O-CG2 3.3Å; G52-T474 WeakPolarHBondContact O-CG2 3.4Å; K54-T474 HydrophobicContact CG-CG2 4.12Å; T474-E476 PolarHBondContact O-N 3.45Å
475	D	90.4	Very high	92.4	Very high	60 Å²	60	24.6 Å²	24.6	32%	0.321	14%	0.138	S	C	.	.			trans	-83	94.3	173.4	-175.5	1.2	0	0	0	110.2	S477 N478 A481	D475-S477 PolarHBondContact O-N 2.84Å; D475-S477 WeakPolarHBondContact OD1-CB 3.11Å; D475-S477 PolarHBondContact OD1-N 3.11Å; D475-S477 PolarHBondContact OD1-OG 3.18Å; D475-N478 WeakPolarHBondContact O-CB 3.45Å; D475-N478 PolarHBondContact O-N 3.03Å; D475-A481 WeakPolarHBondContact O-CB 3.33Å
476	E	88.8	Confident	92.6	Very high	96 Å²	96	26 Å²	26	45%	0.449	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.5	-179.1	-61.6	-173.6	177.9	0	0	113.9	K54 K117 T474 N478 P483	K54-E476 IonicContact NZ-OE1 3.77Å; K54-E476 PolarHBondContact NZ-OE1 3.28Å; K117-E476 PolarHBondContact NZ-O 3.21Å; T474-E476 PolarHBondContact O-N 3.45Å; E476-N478 VanDerWaalsContact C-N 3.33Å; E476-P483 HydrophobicContact CB-CG 4.38Å; E476-P483 HydrophobicContact CG-CB 4.21Å; E476-P483 HydrophobicContact CG-CG 4.05Å
477	S	84.9	Confident	92.6	Very high	50 Å²	50	32 Å²	32	35%	0.35	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.7	175.1	74.1	0	0	0	0	113.1	Q119 D475	Q119-S477 PolarHBondContact NE2-OG 3.3Å; D475-S477 PolarHBondContact O-N 2.84Å; D475-S477 WeakPolarHBondContact OD1-CB 3.11Å; D475-S477 PolarHBondContact OD1-N 3.11Å; D475-S477 PolarHBondContact OD1-OG 3.18Å
478	N	87.8	Confident	92.6	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.199	C	C	.	.	S	Bend	trans	-62	145.1	174	-172.7	-83.1	0	0	0	111.5	L473 D475 E476 L480 A481	L473-N478 HydrophobicContact CD1-CB 4.26Å; D475-N478 WeakPolarHBondContact O-CB 3.45Å; D475-N478 PolarHBondContact O-N 3.03Å; E476-N478 VanDerWaalsContact C-N 3.33Å; N478-L480 PolarHBondContact O-N 3.41Å; N478-L480 PolarHBondContact OD1-N 2.93Å; N478-A481 HydrophobicContact CB-CB 4.15Å; N478-A481 WeakPolarHBondContact O-CB 3.47Å; N478-A481 PolarHBondContact O-N 3.28Å; N478-A481 VanDerWaalsContact O-N 3.08Å
479	L	84.9	Confident	92.6	Very high	50 Å²	50	37.5 Å²	37.5	26%	0.262	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-39.6	-179.4	178.1	65	0	0	0	113
480	L	89.4	Confident	92.7	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.063	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.4	-176.2	-57.7	-176.6	0	0	0	112.9	H163 P465 F468 G470 N478 F482	H163-L480 HydrophobicContact CB-CD1 4.41Å; P465-L480 HydrophobicContact CG-CD2 4.09Å; F468-L480 HydrophobicContact CB-CD1 3.6Å; F468-L480 HydrophobicContact CD1-CD1 4.35Å; F468-L480 HydrophobicContact CD2-CD1 3.61Å; F468-L480 HydrophobicContact CE2-CD1 4.4Å; F468-L480 HydrophobicContact CG-CD1 3.59Å; G470-L480 WeakPolarHBondContact CA-O 3.34Å; N478-L480 PolarHBondContact O-N 3.41Å; N478-L480 PolarHBondContact OD1-N 2.93Å; L480-F482 WeakPolarHBondContact O-CD1 3.33Å; L480-F482 PolarHBondContact O-N 3.23Å
481	A	90.7	Very high	92.8	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.025	24%	0.236	C	C	.	.			trans	-76.4	125.7	180	0	0	0	0	0	111.5	K117 L473 D475 N478	K117-A481 PolarHBondContact NZ-O 3.08Å; L473-A481 HydrophobicContact CB-CB 4.29Å; L473-A481 HydrophobicContact CD1-CB 4.21Å; D475-A481 WeakPolarHBondContact O-CB 3.33Å; N478-A481 HydrophobicContact CB-CB 4.15Å; N478-A481 WeakPolarHBondContact O-CB 3.47Å; N478-A481 PolarHBondContact O-N 3.28Å; N478-A481 VanDerWaalsContact O-N 3.08Å
482	F	90.5	Very high	92.9	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	24%	0.236	C	C	.	.			trans	-134.6	75.9	172.4	63.6	-74.5	0	0	0	109.6	P465 F466 G470 P471 L480 E484 A485	P465-F482 HydrophobicContact CB-CD1 3.64Å; P465-F482 HydrophobicContact CB-CE1 3.3Å; P465-F482 HydrophobicContact CB-CZ 4.28Å; F466-F482 HydrophobicContact CD1-CZ 4.13Å; F466-F482 HydrophobicContact CD2-CZ 4.23Å; F466-F482 HydrophobicContact CE1-CE2 4.18Å; F466-F482 AromaticContact CE1-CZ 3.86Å; F466-F482 HydrophobicContact CE1-CZ 3.86Å; F466-F482 HydrophobicContact CE2-CE2 4.41Å; F466-F482 AromaticContact CE2-CZ 3.94Å; F466-F482 HydrophobicContact CE2-CZ 3.94Å; F466-F482 HydrophobicContact CG-CZ 4.3Å; F466-F482 AromaticContact CZ-CE2 3.92Å; F466-F482 HydrophobicContact CZ-CE2 3.92Å; F466-F482 AromaticContact CZ-CZ 3.75Å; F466-F482 HydrophobicContact CZ-CZ 3.75Å; G470-F482 PolarHBondContact O-N 2.96Å; P471-F482 VanDerWaalsContact CD-CZ 3.44Å; P471-F482 HydrophobicContact CG-CD1 4.5Å; P471-F482 HydrophobicContact CG-CD2 4.37Å; P471-F482 HydrophobicContact CG-CE1 3.78Å; P471-F482 HydrophobicContact CG-CE2 3.65Å; P471-F482 HydrophobicContact CG-CZ 3.31Å; L480-F482 WeakPolarHBondContact O-CD1 3.33Å; L480-F482 PolarHBondContact O-N 3.23Å; F482-E484 VanDerWaalsContact C-OE2 3.31Å; F482-E484 PolarHBondContact O-N 2.84Å; F482-E484 VanDerWaalsContact O-N 3.08Å; F482-A485 HydrophobicContact CD2-CB 3.59Å; F482-A485 HydrophobicContact CE2-CB 3.48Å; F482-A485 VanDerWaalsContact CE2-CB 3.48Å; F482-A485 HydrophobicContact CZ-CB 4.48Å; F482-A485 PolarHBondContact O-N 2.7Å; F482-A485 VanDerWaalsContact O-N 3.15Å
483	P	88.4	Confident	93	Very high	44 Å²	44	44.9 Å²	44.9	29%	0.286	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.9	-175.3	27.3	-37.3	0	0	0	113.8	E476 A485	E476-P483 HydrophobicContact CB-CG 4.38Å; E476-P483 HydrophobicContact CG-CB 4.21Å; E476-P483 HydrophobicContact CG-CG 4.05Å; P483-A485 PolarHBondContact O-N 2.93Å
484	E	89.6	Confident	93.1	Very high	58 Å²	58	47 Å²	47	27%	0.271	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	1.8	175.9	67.9	-91.3	-143.9	0	0	115.2	S447 K450 F482 T486	S447-E484 WeakPolarHBondContact CA-OE1 3.41Å; S447-E484 WeakPolarHBondContact CB-OE1 3.24Å; K450-E484 WeakPolarHBondContact CE-OE1 3.26Å; K450-E484 IonicContact NZ-OE1 3.3Å; K450-E484 PolarHBondContact NZ-OE1 2.89Å; K450-E484 IonicContact NZ-OE2 3.69Å; K450-E484 PolarHBondContact NZ-OE2 3.38Å; F482-E484 VanDerWaalsContact C-OE2 3.31Å; F482-E484 PolarHBondContact O-N 2.84Å; F482-E484 VanDerWaalsContact O-N 3.08Å; E484-T486 PolarHBondContact O-N 2.82Å
485	A	94.9	Very high	93.4	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	23%	0.229	C	C	.	.			trans	-52.2	136.8	-178.2	0	0	0	0	0	112.6	P471 F482 P483 E489 K490	P471-A485 HydrophobicContact CB-CB 3.71Å; P471-A485 HydrophobicContact CG-CB 3.72Å; F482-A485 HydrophobicContact CD2-CB 3.59Å; F482-A485 HydrophobicContact CE2-CB 3.48Å; F482-A485 VanDerWaalsContact CE2-CB 3.48Å; F482-A485 HydrophobicContact CZ-CB 4.48Å; F482-A485 PolarHBondContact O-N 2.7Å; F482-A485 VanDerWaalsContact O-N 3.15Å; P483-A485 PolarHBondContact O-N 2.93Å; A485-E489 WeakPolarHBondContact CA-OE2 3.33Å; A485-E489 HydrophobicContact CB-CB 4.08Å; A485-K490 HydrophobicContact CB-CG 4.2Å
486	T	97.1	Very high	93.8	Very high	55 Å²	55	41.6 Å²	41.6	34%	0.337	21%	0.213	S	C	.	.			trans	-68.2	167.2	172	82.9	0	0	0	0	111.2	E484 E488 E489 K490	E484-T486 PolarHBondContact O-N 2.82Å; T486-E488 VanDerWaalsContact C-N 3.27Å; T486-E488 VanDerWaalsContact CB-OE2 3.27Å; T486-E488 WeakPolarHBondContact CB-OE2 3.03Å; T486-E488 PolarHBondContact O-N 3.5Å; T486-E488 PolarHBondContact OG1-N 2.04Å; T486-E488 PolarHBondContact OG1-OE2 3.45Å; T486-E489 PolarHBondContact N-OE2 3.06Å; T486-E489 PolarHBondContact O-N 2.93Å; T486-E489 PolarHBondContact OG1-N 3.15Å; T486-K490 WeakPolarHBondContact O-CG 2.93Å; T486-K490 PolarHBondContact O-N 3.02Å
487	E	97.5	Very high	94.3	Very high	126 Å²	126	37.1 Å²	37.1	59%	0.589	19%	0.193	S	C	*	.	H	α-helix	trans	-63.8	-35.1	176.5	-65.6	-54	132.5	0	0	112	E489 K490 Q491	E487-E489 VanDerWaalsContact C-N 3.34Å; E487-K490 PolarHBondContact O-N 2.86Å; E487-K490 IonicContact OE1-NZ 2.63Å; E487-K490 PolarHBondContact OE1-NZ 3.07Å; E487-K490 IonicContact OE2-NZ 3.36Å; E487-Q491 WeakPolarHBondContact O-CB 3.49Å; E487-Q491 PolarHBondContact O-N 3.22Å
488	E	98.2	Very high	94.9	Very high	113 Å²	113	36.4 Å²	36.4	53%	0.528	19%	0.19	S	C	.	.	H	α-helix	trans	-66.2	-36.9	174.4	-55.4	75.4	-165.7	0	0	111.4	T486 Q491 L492 L531	T486-E488 VanDerWaalsContact C-N 3.27Å; T486-E488 VanDerWaalsContact CB-OE2 3.27Å; T486-E488 WeakPolarHBondContact CB-OE2 3.03Å; T486-E488 PolarHBondContact O-N 3.5Å; T486-E488 PolarHBondContact OG1-N 2.04Å; T486-E488 PolarHBondContact OG1-OE2 3.45Å; E488-Q491 PolarHBondContact O-N 3.13Å; E488-L492 WeakPolarHBondContact O-CB 3.29Å; E488-L492 PolarHBondContact O-N 3.47Å; E488-L531 HydrophobicContact CB-CD1 4.19Å; E488-L531 HydrophobicContact CB-CD2 3.9Å
489	E	98.1	Very high	95.4	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-70.3	-37.9	175.3	-71.6	-177.1	135.8	0	0	112.8	H443 P445 S446 F466 A485 T486 E487 Q491 L492 S493 L531	H443-E489 IonicContact CD2-OE1 3.83Å; H443-E489 IonicContact CE1-OE1 2.76Å; H443-E489 WeakPolarHBondContact NE2-CG 3.07Å; H443-E489 IonicContact NE2-OE1 2.79Å; H443-E489 PolarHBondContact NE2-OE1 2.92Å; P445-E489 WeakPolarHBondContact CA-OE1 3.38Å; S446-E489 WeakPolarHBondContact CB-OE2 3.46Å; S446-E489 PolarHBondContact N-OE1 3.09Å; S446-E489 PolarHBondContact OG-OE1 3.49Å; S446-E489 PolarHBondContact OG-OE2 2.98Å; F466-E489 HydrophobicContact CE1-CB 3.89Å; F466-E489 HydrophobicContact CE1-CG 4.22Å; F466-E489 WeakPolarHBondContact CE1-O 3.35Å; F466-E489 HydrophobicContact CZ-CB 4.38Å; F466-E489 HydrophobicContact CZ-CG 4.33Å; A485-E489 WeakPolarHBondContact CA-OE2 3.33Å; A485-E489 HydrophobicContact CB-CB 4.08Å; T486-E489 PolarHBondContact N-OE2 3.06Å; T486-E489 PolarHBondContact O-N 2.93Å; T486-E489 PolarHBondContact OG1-N 3.15Å; E487-E489 VanDerWaalsContact C-N 3.34Å; E489-Q491 VanDerWaalsContact C-N 3.33Å; E489-L492 PolarHBondContact O-N 3.21Å; E489-S493 WeakPolarHBondContact O-CB 3.37Å; E489-S493 PolarHBondContact O-N 3.15Å; E489-L531 HydrophobicContact CG-CD2 4.45Å
490	K	98.3	Very high	96.1	Very high	55 Å²	55	34 Å²	34	24%	0.239	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-45.5	170.5	-71.9	173.6	-169.3	170.3	0	110.3	P471 F472 A485 T486 E487 L492 S493 L494	P471-K490 HydrophobicContact CB-CG 3.81Å; P471-K490 HydrophobicContact CG-CG 4.44Å; F472-K490 HydrophobicContact CE1-CB 4.28Å; F472-K490 HydrophobicContact CE1-CG 4.26Å; F472-K490 HydrophobicContact CZ-CB 3.82Å; F472-K490 HydrophobicContact CZ-CG 4.14Å; A485-K490 HydrophobicContact CB-CG 4.2Å; T486-K490 WeakPolarHBondContact O-CG 2.93Å; T486-K490 PolarHBondContact O-N 3.02Å; E487-K490 PolarHBondContact O-N 2.86Å; E487-K490 IonicContact OE1-NZ 2.63Å; E487-K490 PolarHBondContact OE1-NZ 3.07Å; E487-K490 IonicContact OE2-NZ 3.36Å; K490-L492 PolarHBondContact O-N 3.03Å; K490-S493 PolarHBondContact O-N 3.21Å; K490-L494 WeakPolarHBondContact O-CG 3.21Å; K490-L494 PolarHBondContact O-N 3.42Å
491	Q	98.1	Very high	96.5	Very high	111 Å²	111	33.9 Å²	33.9	52%	0.519	18%	0.177	S	C	.	.	H	α-helix	trans	-64.6	-38.8	176.9	-173.2	56.6	51.1	0	0	112.4	E487 E488 E489 L494 T495	E487-Q491 WeakPolarHBondContact O-CB 3.49Å; E487-Q491 PolarHBondContact O-N 3.22Å; E488-Q491 PolarHBondContact O-N 3.13Å; E489-Q491 VanDerWaalsContact C-N 3.33Å; Q491-L494 PolarHBondContact O-N 2.85Å; Q491-T495 PolarHBondContact NE2-OG1 2.97Å; Q491-T495 WeakPolarHBondContact O-CB 3.44Å; Q491-T495 PolarHBondContact O-N 2.85Å; Q491-T495 PolarHBondContact O-OG1 3.27Å
492	L	98.5	Very high	96.9	Very high	10 Å²	10	39 Å²	39	5%	0.052	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-47	172.3	176	57.6	0	0	0	110.9	F441 H443 F466 E488 E489 K490 L494 T495 M496 I529 G530 L531	F441-L492 HydrophobicContact CE2-CD2 4.23Å; H443-L492 HydrophobicContact CB-CD2 3.83Å; F466-L492 HydrophobicContact CD1-CB 4.2Å; F466-L492 HydrophobicContact CD1-CD2 3.95Å; F466-L492 HydrophobicContact CD1-CG 3.85Å; F466-L492 HydrophobicContact CE1-CB 4.28Å; F466-L492 HydrophobicContact CE1-CD2 3.8Å; F466-L492 HydrophobicContact CE1-CG 4.11Å; F466-L492 HydrophobicContact CZ-CD2 4.4Å; E488-L492 WeakPolarHBondContact O-CB 3.29Å; E488-L492 PolarHBondContact O-N 3.47Å; E489-L492 PolarHBondContact O-N 3.21Å; K490-L492 PolarHBondContact O-N 3.03Å; L492-L494 PolarHBondContact O-N 2.85Å; L492-T495 PolarHBondContact O-N 3.4Å; L492-M496 HydrophobicContact CD1-CG 4.08Å; L492-M496 HydrophobicContact CD1-SD 4.01Å; L492-M496 HydrophobicContact CG-SD 4.09Å; L492-M496 WeakPolarHBondContact O-CG 3.29Å; L492-M496 PolarHBondContact O-N 3.45Å; L492-I529 HydrophobicContact CD1-CG2 3.91Å; L492-G530 WeakPolarHBondContact CD1-O 3.44Å; L492-L531 HydrophobicContact CB-CD2 4.29Å; L492-L531 HydrophobicContact CD2-CD2 4.08Å
493	S	98.5	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-45.4	177.7	178.1	0	0	0	0	112	F466 E489 K490 T495 M496 M497	F466-S493 PolarHBondContact O-OG 3.02Å; E489-S493 WeakPolarHBondContact O-CB 3.37Å; E489-S493 PolarHBondContact O-N 3.15Å; K490-S493 PolarHBondContact O-N 3.21Å; S493-T495 VanDerWaalsContact C-N 3.31Å; S493-T495 PolarHBondContact O-N 3.38Å; S493-M496 PolarHBondContact O-N 3.03Å; S493-M497 WeakPolarHBondContact O-CB 3.39Å; S493-M497 WeakPolarHBondContact O-CG 3.44Å; S493-M497 PolarHBondContact O-N 3.27Å
494	L	98.4	Very high	97.8	Very high	50 Å²	50	36.7 Å²	36.7	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-59	-42.9	174.6	-69.8	169.7	0	0	0	111.9	Y171 F472 K490 Q491 L492 M497 A498	Y171-L494 HydrophobicContact CD1-CD2 3.5Å; Y171-L494 HydrophobicContact CE1-CD2 3.46Å; Y171-L494 VanDerWaalsContact CE1-CD2 3.46Å; Y171-L494 HydrophobicContact CE2-CD2 4.49Å; Y171-L494 HydrophobicContact CG-CD2 4.06Å; F472-L494 HydrophobicContact CE2-CD2 3.9Å; F472-L494 HydrophobicContact CE2-CG 3.91Å; F472-L494 HydrophobicContact CZ-CD1 4.04Å; F472-L494 HydrophobicContact CZ-CD2 3.82Å; F472-L494 HydrophobicContact CZ-CG 3.65Å; K490-L494 WeakPolarHBondContact O-CG 3.21Å; K490-L494 PolarHBondContact O-N 3.42Å; Q491-L494 PolarHBondContact O-N 2.85Å; L492-L494 PolarHBondContact O-N 2.85Å; L494-M497 HydrophobicContact CD2-CE 3.99Å; L494-A498 VanDerWaalsContact O-CB 3.3Å; L494-A498 WeakPolarHBondContact O-CB 3.32Å; L494-A498 PolarHBondContact O-N 3.19Å
495	T	98.4	Very high	98.2	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.141	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-44.5	179.3	-56	0	0	0	0	111.3	Q491 L492 S493 A498 Q499 L514 P515	Q491-T495 PolarHBondContact NE2-OG1 2.97Å; Q491-T495 WeakPolarHBondContact O-CB 3.44Å; Q491-T495 PolarHBondContact O-N 2.85Å; Q491-T495 PolarHBondContact O-OG1 3.27Å; L492-T495 PolarHBondContact O-N 3.4Å; S493-T495 VanDerWaalsContact C-N 3.31Å; S493-T495 PolarHBondContact O-N 3.38Å; T495-A498 PolarHBondContact O-N 3.2Å; T495-Q499 WeakPolarHBondContact O-CG 3.49Å; T495-Q499 PolarHBondContact O-N 3.42Å; T495-L514 HydrophobicContact CG2-CD2 4.22Å; T495-P515 HydrophobicContact CG2-CG 3.89Å
496	M	98.7	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-47.7	177.5	-71.6	179.4	74.4	0	0	111.9	F441 E463 F466 I467 L492 S493 A498 Q499 W500 I529	F441-M496 HydrophobicContact CD2-CE 3.98Å; F441-M496 HydrophobicContact CD2-SD 4.19Å; F441-M496 HydrophobicContact CE2-CE 3.98Å; F441-M496 HydrophobicContact CE2-SD 3.73Å; E463-M496 HydrophobicContact CB-CE 4.06Å; F466-M496 HydrophobicContact CB-CE 4.18Å; F466-M496 HydrophobicContact CB-SD 3.49Å; F466-M496 WeakPolarHBondContact CB-SD 3.44Å; F466-M496 HydrophobicContact CG-SD 4.15Å; I467-M496 HydrophobicContact CD1-CE 4.06Å; I467-M496 HydrophobicContact CG1-CE 3.66Å; L492-M496 HydrophobicContact CD1-CG 4.08Å; L492-M496 HydrophobicContact CD1-SD 4.01Å; L492-M496 HydrophobicContact CG-SD 4.09Å; L492-M496 WeakPolarHBondContact O-CG 3.29Å; L492-M496 PolarHBondContact O-N 3.45Å; S493-M496 PolarHBondContact O-N 3.03Å; M496-A498 VanDerWaalsContact C-N 3.26Å; M496-A498 PolarHBondContact O-N 3.25Å; M496-Q499 PolarHBondContact O-N 3.04Å; M496-Q499 VanDerWaalsContact O-N 3.16Å; M496-W500 HydrophobicContact CB-CE3 4.48Å; M496-W500 HydrophobicContact CB-CZ3 4.5Å; M496-W500 HydrophobicContact CE-CH2 4.15Å; M496-W500 HydrophobicContact CE-CZ3 4.25Å; M496-W500 VanDerWaalsContact O-CE3 3.3Å; M496-W500 PolarHBondContact O-N 3.39Å; M496-I529 HydrophobicContact CE-CG2 4.36Å; M496-I529 HydrophobicContact CG-CG2 4.09Å; M496-I529 HydrophobicContact SD-CG2 3.94Å
497	M	98.7	Very high	98.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-43	175.3	-72.7	-167.2	-66.8	0	0	111.3	L168 Y171 I467 G469 F472 S493 L494 T501	L168-M497 HydrophobicContact CB-SD 4.48Å; L168-M497 HydrophobicContact CD1-CB 4.09Å; L168-M497 HydrophobicContact CD1-CG 3.98Å; L168-M497 HydrophobicContact CD1-SD 4.42Å; Y171-M497 HydrophobicContact CD2-CE 3.68Å; Y171-M497 HydrophobicContact CD2-SD 4.44Å; Y171-M497 HydrophobicContact CE2-CE 4.38Å; Y171-M497 HydrophobicContact CG-CE 3.85Å; I467-M497 WeakPolarHBondContact O-CG 3.21Å; G469-M497 VanDerWaalsContact CA-SD 3.58Å; F472-M497 HydrophobicContact CD2-CE 3.87Å; F472-M497 HydrophobicContact CE2-CE 3.92Å; S493-M497 WeakPolarHBondContact O-CB 3.39Å; S493-M497 WeakPolarHBondContact O-CG 3.44Å; S493-M497 PolarHBondContact O-N 3.27Å; L494-M497 HydrophobicContact CD2-CE 3.99Å; M497-T501 WeakPolarHBondContact O-CB 2.86Å; M497-T501 WeakPolarHBondContact O-CG2 3.26Å; M497-T501 PolarHBondContact O-N 3.45Å; M497-T501 PolarHBondContact O-OG1 3.34Å
498	A	98.6	Very high	98.5	Very high	35 Å²	35	34.9 Å²	34.9	29%	0.289	17%	0.172	S	C	.	.	H	α-helix	trans	-63.7	-42.3	176.8	0	0	0	0	0	112.7	L494 T495 M496 T501 R502 L514	L494-A498 VanDerWaalsContact O-CB 3.3Å; L494-A498 WeakPolarHBondContact O-CB 3.32Å; L494-A498 PolarHBondContact O-N 3.19Å; T495-A498 PolarHBondContact O-N 3.2Å; M496-A498 VanDerWaalsContact C-N 3.26Å; M496-A498 PolarHBondContact O-N 3.25Å; A498-T501 PolarHBondContact O-OG1 2.71Å; A498-T501 VanDerWaalsContact O-OG1 3.13Å; A498-R502 WeakPolarHBondContact O-CB 3.41Å; A498-R502 PolarHBondContact O-N 2.82Å; A498-L514 HydrophobicContact CB-CD1 4.08Å; A498-L514 HydrophobicContact CB-CD2 3.76Å
499	Q	98.7	Very high	98.5	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-68.2	-42.4	177.7	-74.1	-178.1	-39.4	0	0	112.4	T495 M496 R502 F503 P509 L514 P515 W517	T495-Q499 WeakPolarHBondContact O-CG 3.49Å; T495-Q499 PolarHBondContact O-N 3.42Å; M496-Q499 PolarHBondContact O-N 3.04Å; M496-Q499 VanDerWaalsContact O-N 3.16Å; Q499-R502 PolarHBondContact O-N 3.26Å; Q499-F503 WeakPolarHBondContact O-CB 3.39Å; Q499-F503 PolarHBondContact O-N 3.06Å; Q499-P509 HydrophobicContact CB-CB 4.15Å; Q499-L514 HydrophobicContact CG-CD1 4.01Å; Q499-P515 PolarHBondContact NE2-O 2.54Å; Q499-W517 HydrophobicContact CB-CE3 4.29Å; Q499-W517 HydrophobicContact CB-CZ3 4.09Å; Q499-W517 HydrophobicContact CG-CE3 4.36Å
500	W	98.8	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-45.4	178	-99	-117	0	0	0	111.8	M147 I255 L340 Y439 I467 M496 F503 A504 W517 I529	M147-W500 HydrophobicContact CE-CB 4.3Å; I255-W500 HydrophobicContact CD1-CG 4.28Å; L340-W500 HydrophobicContact CD2-CH2 4.29Å; L340-W500 HydrophobicContact CD2-CZ2 3.96Å; Y439-W500 HydrophobicContact CD1-CH2 4.17Å; Y439-W500 AromaticContact CE1-CH2 3.98Å; Y439-W500 HydrophobicContact CE1-CH2 3.98Å; Y439-W500 AromaticContact CE1-CZ2 3.91Å; Y439-W500 HydrophobicContact CE1-CZ2 3.91Å; I467-W500 HydrophobicContact CD1-CD2 4.34Å; I467-W500 HydrophobicContact CD1-CH2 4.27Å; I467-W500 HydrophobicContact CD1-CZ2 3.55Å; I467-W500 HydrophobicContact CG1-CD2 4.23Å; I467-W500 HydrophobicContact CG1-CZ2 4.2Å; I467-W500 HydrophobicContact CG2-CG 4.09Å; M496-W500 HydrophobicContact CB-CE3 4.48Å; M496-W500 HydrophobicContact CB-CZ3 4.5Å; M496-W500 HydrophobicContact CE-CH2 4.15Å; M496-W500 HydrophobicContact CE-CZ3 4.25Å; M496-W500 VanDerWaalsContact O-CE3 3.3Å; M496-W500 PolarHBondContact O-N 3.39Å; W500-F503 WeakPolarHBondContact O-CB 3.28Å; W500-F503 PolarHBondContact O-N 2.64Å; W500-A504 PolarHBondContact O-N 3.22Å; W500-W517 HydrophobicContact CE3-CZ3 4.3Å; W500-W517 AromaticContact CH2-CH2 3.84Å; W500-W517 HydrophobicContact CH2-CH2 3.84Å; W500-W517 HydrophobicContact CH2-CZ3 4.34Å; W500-W517 AromaticContact CZ3-CH2 3.69Å; W500-W517 HydrophobicContact CZ3-CH2 3.69Å; W500-W517 AromaticContact CZ3-CZ3 3.71Å; W500-W517 HydrophobicContact CZ3-CZ3 3.71Å; W500-I529 HydrophobicContact CH2-CD1 3.93Å; W500-I529 HydrophobicContact CZ3-CD1 4Å
501	T	98.6	Very high	98.3	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-69.4	-40.5	177.9	55	0	0	0	0	110.9	M147 L168 G172 V174 M497 A498 F503 A504 Y505	M147-T501 HydrophobicContact SD-CG2 4.07Å; L168-T501 HydrophobicContact CD1-CG2 3.56Å; L168-T501 HydrophobicContact CG-CG2 4.47Å; G172-T501 VanDerWaalsContact CA-CG2 3.46Å; V174-T501 HydrophobicContact CG1-CG2 4Å; V174-T501 HydrophobicContact CG2-CG2 3.9Å; M497-T501 WeakPolarHBondContact O-CB 2.86Å; M497-T501 WeakPolarHBondContact O-CG2 3.26Å; M497-T501 PolarHBondContact O-N 3.45Å; M497-T501 PolarHBondContact O-OG1 3.34Å; A498-T501 PolarHBondContact O-OG1 2.71Å; A498-T501 VanDerWaalsContact O-OG1 3.13Å; T501-F503 VanDerWaalsContact C-N 3.29Å; T501-F503 PolarHBondContact O-N 3.4Å; T501-A504 CarbonylContact O-C 3.6Å; T501-A504 WeakPolarHBondContact O-CA 3.14Å; T501-A504 WeakPolarHBondContact O-CB 2.96Å; T501-A504 PolarHBondContact O-N 3.33Å; T501-Y505 VanDerWaalsContact O-CD2 3.24Å; T501-Y505 WeakPolarHBondContact O-CD2 3.13Å; T501-Y505 PolarHBondContact O-N 3.38Å
502	R	98.4	Very high	98.1	Very high	111 Å²	111	35 Å²	35	42%	0.419	18%	0.179	S	C	.	.	H	α-helix	trans	-60.9	-39.2	174.9	-173.6	58.3	177.9	176	3.6	112.6	A498 Q499 Y505 T506 N508 N510	A498-R502 WeakPolarHBondContact O-CB 3.41Å; A498-R502 PolarHBondContact O-N 2.82Å; Q499-R502 PolarHBondContact O-N 3.26Å; R502-Y505 PolarHBondContact O-N 3.18Å; R502-T506 PolarHBondContact O-N 2.81Å; R502-T506 PolarHBondContact O-OG1 2.83Å; R502-N508 CarbonylContact C-O 3.59Å; R502-N508 WeakPolarHBondContact CG-O 3.48Å; R502-N510 VanDerWaalsContact CG-O 3.28Å; R502-N510 WeakPolarHBondContact CG-O 3.24Å; R502-N510 PolarHBondContact NE-O 2.88Å
503	F	98.9	Very high	97.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-46.1	169.7	-178.8	-99.6	0	0	0	110.7	T227 R253 I255 P338 L340 F437 Q499 W500 T501 Y505 T506 G507 P509	T227-F503 HydrophobicContact CG2-CD1 4.44Å; T227-F503 HydrophobicContact CG2-CE1 4.44Å; R253-F503 HydrophobicContact CB-CE1 3.84Å; R253-F503 HydrophobicContact CB-CZ 4.27Å; R253-F503 WeakPolarHBondContact CD-O 3.26Å; R253-F503 PolarHBondContact NE-O 3.48Å; I255-F503 HydrophobicContact CD1-CD1 3.8Å; I255-F503 HydrophobicContact CD1-CE1 4.2Å; I255-F503 HydrophobicContact CG1-CD1 3.79Å; I255-F503 HydrophobicContact CG1-CE1 3.65Å; P338-F503 HydrophobicContact CB-CE2 3.95Å; P338-F503 HydrophobicContact CB-CZ 3.94Å; L340-F503 HydrophobicContact CB-CD1 4.23Å; L340-F503 HydrophobicContact CB-CD2 4.34Å; L340-F503 HydrophobicContact CB-CE1 3.93Å; L340-F503 HydrophobicContact CB-CE2 4.05Å; L340-F503 HydrophobicContact CB-CG 4.41Å; L340-F503 HydrophobicContact CB-CZ 3.82Å; L340-F503 HydrophobicContact CD1-CB 4.3Å; L340-F503 HydrophobicContact CD1-CD1 4.45Å; L340-F503 HydrophobicContact CD1-CD2 4.29Å; L340-F503 HydrophobicContact CD1-CG 4.1Å; F437-F503 HydrophobicContact CD2-CD2 4.4Å; F437-F503 HydrophobicContact CD2-CE2 4.07Å; Q499-F503 WeakPolarHBondContact O-CB 3.39Å; Q499-F503 PolarHBondContact O-N 3.06Å; W500-F503 WeakPolarHBondContact O-CB 3.28Å; W500-F503 PolarHBondContact O-N 2.64Å; T501-F503 VanDerWaalsContact C-N 3.29Å; T501-F503 PolarHBondContact O-N 3.4Å; F503-Y505 VanDerWaalsContact C-N 3.28Å; F503-Y505 PolarHBondContact O-N 2.84Å; F503-T506 PolarHBondContact O-N 3.48Å; F503-G507 VanDerWaalsContact CD2-C 3.43Å; F503-G507 WeakPolarHBondContact CE2-O 3.18Å; F503-G507 WeakPolarHBondContact O-CA 3.42Å; F503-G507 PolarHBondContact O-N 2.85Å; F503-P509 HydrophobicContact CB-CB 4.25Å
504	A	98.8	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-37.2	175.6	0	0	0	0	0	113.3	P145 M147 C225 T227 R253 W500 T501	P145-A504 HydrophobicContact CB-CB 4.28Å; M147-A504 HydrophobicContact CE-CB 4.39Å; M147-A504 HydrophobicContact CG-CB 3.7Å; M147-A504 HydrophobicContact SD-CB 3.77Å; C225-A504 PolarHBondContact SG-O 3.21Å; T227-A504 HydrophobicContact CG2-CB 4.41Å; T227-A504 VanDerWaalsContact OG1-CA 3.31Å; T227-A504 WeakPolarHBondContact OG1-CA 3.38Å; T227-A504 WeakPolarHBondContact OG1-CB 3.48Å; R253-A504 PolarHBondContact NE-O 3.3Å; R253-A504 PolarHBondContact NH1-O 3.38Å; W500-A504 PolarHBondContact O-N 3.22Å; T501-A504 CarbonylContact O-C 3.6Å; T501-A504 WeakPolarHBondContact O-CA 3.14Å; T501-A504 WeakPolarHBondContact O-CB 2.96Å; T501-A504 PolarHBondContact O-N 3.33Å
505	Y	98.3	Very high	97.7	Very high	80 Å²	80	39.6 Å²	39.6	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-67.6	-46.1	175.3	-89.5	-81.7	0	0	0	113.2	P145 D173 V174 R253 T501 R502 F503	P145-Y505 HydrophobicContact CG-CD1 3.32Å; P145-Y505 HydrophobicContact CG-CD2 3.73Å; P145-Y505 HydrophobicContact CG-CE1 3.35Å; P145-Y505 HydrophobicContact CG-CE2 3.72Å; P145-Y505 HydrophobicContact CG-CG 3.5Å; D173-Y505 PolarHBondContact O-OH 3.05Å; V174-Y505 HydrophobicContact CG1-CD2 4.42Å; V174-Y505 HydrophobicContact CG1-CE2 3.8Å; R253-Y505 PolarHBondContact NH2-O 3.25Å; R253-Y505 VanDerWaalsContact NH2-O 3.1Å; T501-Y505 VanDerWaalsContact O-CD2 3.24Å; T501-Y505 WeakPolarHBondContact O-CD2 3.13Å; T501-Y505 PolarHBondContact O-N 3.38Å; R502-Y505 PolarHBondContact O-N 3.18Å; F503-Y505 VanDerWaalsContact C-N 3.28Å; F503-Y505 PolarHBondContact O-N 2.84Å
506	T	98	Very high	97.7	Very high	64 Å²	64	44.4 Å²	44.4	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-125.7	-13.5	-160.6	66.4	0	0	0	0	115.2	R502 F503 N508	R502-T506 PolarHBondContact O-N 2.81Å; R502-T506 PolarHBondContact O-OG1 2.83Å; F503-T506 PolarHBondContact O-N 3.48Å; T506-N508 PolarHBondContact OG1-N 2.93Å; T506-N508 PolarHBondContact OG1-O 2.86Å
507	G	98.5	Very high	97.7	Very high	5 Å²	5	44.4 Å²	44.4	5%	0.052	25%	0.245	C	C	.	.	S	Bend	trans	78.4	9.6	-170	0	0	0	0	0	113.2	F437 F503	F437-G507 WeakPolarHBondContact CE2-O 3.24Å; F503-G507 VanDerWaalsContact CD2-C 3.43Å; F503-G507 WeakPolarHBondContact CE2-O 3.18Å; F503-G507 WeakPolarHBondContact O-CA 3.42Å; F503-G507 PolarHBondContact O-N 2.85Å
508	N	98.6	Very high	97.6	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	25%	0.247	S	C	.	.			trans	-138.4	125.4	179.3	-173.7	-34.9	0	0	0	108.9	F437 R502 T506 N510	F437-N508 HydrophobicContact CZ-CB 4.23Å; R502-N508 CarbonylContact C-O 3.59Å; R502-N508 WeakPolarHBondContact CG-O 3.48Å; T506-N508 PolarHBondContact OG1-N 2.93Å; T506-N508 PolarHBondContact OG1-O 2.86Å; N508-N510 PolarHBondContact O-N 3.47Å; N508-N510 VanDerWaalsContact OD1-CB 3.25Å; N508-N510 WeakPolarHBondContact OD1-CB 3.42Å; N508-N510 PolarHBondContact OD1-N 3.11Å; N508-N510 PolarHBondContact OD1-ND2 2.84Å
509	P	98.4	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.			trans	-76.6	-5	-177.4	31.6	-34.4	0	0	0	113.9	L340 F437 Q499 F503 W517	L340-P509 HydrophobicContact CD1-CB 4.36Å; F437-P509 HydrophobicContact CB-CG 4.35Å; F437-P509 HydrophobicContact CD1-CG 3.67Å; F437-P509 HydrophobicContact CD2-CG 4.41Å; F437-P509 HydrophobicContact CE1-CG 4.05Å; F437-P509 HydrophobicContact CG-CG 3.88Å; Q499-P509 HydrophobicContact CB-CB 4.15Å; F503-P509 HydrophobicContact CB-CB 4.25Å; P509-W517 HydrophobicContact CB-CD2 4.15Å; P509-W517 HydrophobicContact CB-CE3 3.6Å; P509-W517 HydrophobicContact CB-CZ3 4.12Å; P509-W517 HydrophobicContact CG-CB 3.83Å; P509-W517 HydrophobicContact CG-CD2 3.62Å; P509-W517 HydrophobicContact CG-CE3 3.63Å; P509-W517 HydrophobicContact CG-CG 3.74Å; P509-W517 HydrophobicContact CG-CZ3 4.42Å
510	N	98.3	Very high	97.5	Very high	36 Å²	36	47.8 Å²	47.8	19%	0.193	26%	0.256	C	S	.	.			trans	-76.7	143.8	-177.5	-68.4	-84.3	0	0	0	112.9	R502 N508 H516 W517	R502-N510 VanDerWaalsContact CG-O 3.28Å; R502-N510 WeakPolarHBondContact CG-O 3.24Å; R502-N510 PolarHBondContact NE-O 2.88Å; N508-N510 PolarHBondContact O-N 3.47Å; N508-N510 VanDerWaalsContact OD1-CB 3.25Å; N508-N510 WeakPolarHBondContact OD1-CB 3.42Å; N508-N510 PolarHBondContact OD1-N 3.11Å; N508-N510 PolarHBondContact OD1-ND2 2.84Å; N510-H516 WeakPolarHBondContact OD1-CA 3.23Å; N510-H516 PolarHBondContact OD1-ND1 3.23Å; N510-W517 PolarHBondContact ND2-O 3.01Å; N510-W517 PolarHBondContact OD1-N 2.95Å
511	G	95	Very high	97.2	Very high	28 Å²	28	50.8 Å²	50.8	29%	0.289	27%	0.272	S	S	.	.			trans	-159.7	168.3	177.5	0	0	0	0	0	112.3	G513 L514	G511-G513 PolarHBondContact O-N 3.26Å; G511-L514 PolarHBondContact O-N 2.78Å
512	K	93.9	Very high	96.8	Very high	220 Å²	220	59.2 Å²	59.2	96%	0.957	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	128.1	178.7	-176.9	-179.1	177.2	-176.4	0	110	L514	K512-L514 PolarHBondContact O-N 2.9Å
513	G	93.7	Very high	96.6	Very high	83 Å²	83	58.9 Å²	58.9	86%	0.856	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-0.3	179.6	0	0	0	0	0	114.6	G511	G511-G513 PolarHBondContact O-N 3.26Å
514	L	96.6	Very high	96.3	Very high	41 Å²	41	60.9 Å²	60.9	22%	0.215	33%	0.326	C	S	.	.	S	Bend	trans	-92.3	151.3	173.6	-61.7	177.3	0	0	0	110.7	T495 A498 Q499 G511 K512 H516	T495-L514 HydrophobicContact CG2-CD2 4.22Å; A498-L514 HydrophobicContact CB-CD1 4.08Å; A498-L514 HydrophobicContact CB-CD2 3.76Å; Q499-L514 HydrophobicContact CG-CD1 4.01Å; G511-L514 PolarHBondContact O-N 2.78Å; K512-L514 PolarHBondContact O-N 2.9Å; L514-H516 PolarHBondContact O-N 3.21Å
515	P	96.8	Very high	96.3	Very high	32 Å²	32	63.3 Å²	63.3	21%	0.208	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-54.5	139	169.6	-21.4	31.5	0	0	0	110.9	T495 Q499 W517 P533	T495-P515 HydrophobicContact CG2-CG 3.89Å; Q499-P515 PolarHBondContact NE2-O 2.54Å; P515-W517 PolarHBondContact O-N 3.03Å; P515-P533 HydrophobicContact CB-CB 3.91Å; P515-P533 HydrophobicContact CB-CG 3.64Å; P515-P533 HydrophobicContact CG-CB 3.93Å; P515-P533 HydrophobicContact CG-CG 3.24Å
516	H	97.1	Very high	96.3	Very high	125 Å²	125	60.2 Å²	60.2	58%	0.579	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-68	125.4	176.7	-178.7	50.4	0	0	0	110.2	N510 L514	N510-H516 WeakPolarHBondContact OD1-CA 3.23Å; N510-H516 PolarHBondContact OD1-ND1 3.23Å; L514-H516 PolarHBondContact O-N 3.21Å
517	W	98.3	Very high	96.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.307	C	S	.	.			trans	-111.5	106.9	176.3	-163.4	-26.7	0	0	0	109	L340 F437 L438 Y439 Q499 W500 P509 N510 P515 L527 I529	L340-W517 HydrophobicContact CD1-CH2 3.65Å; L340-W517 HydrophobicContact CD1-CZ2 3.99Å; L340-W517 HydrophobicContact CD1-CZ3 4.06Å; L340-W517 HydrophobicContact CD2-CH2 3.89Å; L340-W517 HydrophobicContact CD2-CZ2 4.06Å; L340-W517 HydrophobicContact CG-CH2 3.97Å; L340-W517 HydrophobicContact CG-CZ2 3.93Å; F437-W517 HydrophobicContact CB-CZ2 4.49Å; F437-W517 AromaticContact CD1-CD1 3.85Å; F437-W517 HydrophobicContact CD1-CG 4.17Å; L438-W517 PolarHBondContact O-NE1 2.97Å; Y439-W517 AromaticContact CD1-CH2 3.94Å; Y439-W517 HydrophobicContact CD1-CH2 3.94Å; Y439-W517 AromaticContact CD1-CZ2 3.81Å; Y439-W517 HydrophobicContact CD1-CZ2 3.81Å; Y439-W517 HydrophobicContact CG-CH2 4.22Å; Y439-W517 HydrophobicContact CG-CZ2 4.05Å; Q499-W517 HydrophobicContact CB-CE3 4.29Å; Q499-W517 HydrophobicContact CB-CZ3 4.09Å; Q499-W517 HydrophobicContact CG-CE3 4.36Å; W500-W517 HydrophobicContact CE3-CZ3 4.3Å; W500-W517 AromaticContact CH2-CH2 3.84Å; W500-W517 HydrophobicContact CH2-CH2 3.84Å; W500-W517 HydrophobicContact CH2-CZ3 4.34Å; W500-W517 AromaticContact CZ3-CH2 3.69Å; W500-W517 HydrophobicContact CZ3-CH2 3.69Å; W500-W517 AromaticContact CZ3-CZ3 3.71Å; W500-W517 HydrophobicContact CZ3-CZ3 3.71Å; P509-W517 HydrophobicContact CB-CD2 4.15Å; P509-W517 HydrophobicContact CB-CE3 3.6Å; P509-W517 HydrophobicContact CB-CZ3 4.12Å; P509-W517 HydrophobicContact CG-CB 3.83Å; P509-W517 HydrophobicContact CG-CD2 3.62Å; P509-W517 HydrophobicContact CG-CE3 3.63Å; P509-W517 HydrophobicContact CG-CG 3.74Å; P509-W517 HydrophobicContact CG-CZ3 4.42Å; N510-W517 PolarHBondContact ND2-O 3.01Å; N510-W517 PolarHBondContact OD1-N 2.95Å; P515-W517 PolarHBondContact O-N 3.03Å; W517-L527 HydrophobicContact CB-CD2 4.2Å; W517-L527 HydrophobicContact CD2-CB 3.85Å; W517-L527 HydrophobicContact CD2-CD2 3.48Å; W517-L527 VanDerWaalsContact CD2-CD2 3.48Å; W517-L527 HydrophobicContact CD2-CG 4.3Å; W517-L527 HydrophobicContact CE3-CD2 3.39Å; W517-L527 HydrophobicContact CG-CB 3.83Å; W517-L527 HydrophobicContact CG-CD2 3.87Å; W517-L527 HydrophobicContact CG-CG 4.41Å; W517-L527 HydrophobicContact CH2-CD2 4.48Å; W517-L527 HydrophobicContact CZ2-CB 4.46Å; W517-L527 HydrophobicContact CZ3-CD2 3.91Å; W517-I529 HydrophobicContact CH2-CD1 3.92Å; W517-I529 HydrophobicContact CZ3-CD1 4.22Å
518	P	97.8	Very high	96.3	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.032	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-67.9	140	-178.1	28.2	-34.4	0	0	0	110.6	F437 Q525 T535	F437-P518 WeakPolarHBondContact CD1-O 3.2Å; P518-Q525 HydrophobicContact CB-CB 3.77Å; P518-Q525 HydrophobicContact CG-CB 3.54Å; P518-T535 HydrophobicContact CG-CG2 3.83Å
519	Q	98	Very high	96.3	Very high	96 Å²	96	56.6 Å²	56.6	45%	0.449	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-69.8	133.3	164.8	-174.2	-179.5	-27	0	0	108.3	V436 F437 N521	V436-Q519 CarbonylContact O-C 3.53Å; V436-Q519 WeakPolarHBondContact O-CA 3.24Å; V436-Q519 WeakPolarHBondContact O-CG 3.49Å; F437-Q519 HydrophobicContact CD1-CB 4.38Å; F437-Q519 HydrophobicContact CE1-CB 3.76Å; F437-Q519 HydrophobicContact CE1-CG 4.41Å; F437-Q519 HydrophobicContact CE2-CG 4.46Å; F437-Q519 HydrophobicContact CZ-CB 3.89Å; F437-Q519 HydrophobicContact CZ-CG 4.17Å; Q519-N521 PolarHBondContact O-N 3.46Å
520	L	95.9	Very high	96.2	Very high	10 Å²	10	57 Å²	57	5%	0.052	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.6	122.1	178.3	-167.8	72.7	0	0	0	109.2	Q430 V436 L438 E524	Q430-L520 PolarHBondContact NE2-O 2.95Å; V436-L520 HydrophobicContact CB-CB 4.03Å; V436-L520 HydrophobicContact CB-CD2 4.32Å; V436-L520 HydrophobicContact CG1-CB 4.03Å; V436-L520 HydrophobicContact CG1-CD2 3.79Å; V436-L520 WeakPolarHBondContact O-CB 3.48Å; V436-L520 PolarHBondContact O-N 2.76Å; L438-L520 HydrophobicContact CB-CD1 4.3Å; L438-L520 HydrophobicContact CD2-CD1 4.26Å; L520-E524 HydrophobicContact CD1-CB 4.41Å
521	N	93.3	Very high	96.2	Very high	63 Å²	63	59.5 Å²	59.5	34%	0.337	32%	0.318	S	S	.	.			trans	-136.3	-166.2	-179.8	63.8	35	0	0	0	109.4	Q430 Q519 L523 E524	Q430-N521 PolarHBondContact NE2-O 2.8Å; Q519-N521 PolarHBondContact O-N 3.46Å; N521-L523 PolarHBondContact O-N 3.26Å; N521-L523 VanDerWaalsContact O-N 3.16Å; N521-L523 WeakPolarHBondContact OD1-CA 3.49Å; N521-L523 WeakPolarHBondContact OD1-CB 3.42Å; N521-L523 PolarHBondContact OD1-N 2.78Å; N521-E524 WeakPolarHBondContact O-CA 3.38Å; N521-E524 PolarHBondContact O-N 2.99Å
522	Q	90.9	Very high	96.2	Very high	186 Å²	186	64.7 Å²	64.7	87%	0.869	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.1	179.6	-66	-178.5	-17.6	0	0	114.6
523	L	93.1	Very high	96.3	Very high	104 Å²	104	56.6 Å²	56.6	55%	0.545	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.4	172.8	-57.3	174.8	0	0	0	112.1	N521 Q525 V537	N521-L523 PolarHBondContact O-N 3.26Å; N521-L523 VanDerWaalsContact O-N 3.16Å; N521-L523 WeakPolarHBondContact OD1-CA 3.49Å; N521-L523 WeakPolarHBondContact OD1-CB 3.42Å; N521-L523 PolarHBondContact OD1-N 2.78Å; L523-Q525 VanDerWaalsContact C-N 3.28Å; L523-Q525 HydrophobicContact CB-CG 3.9Å; L523-Q525 PolarHBondContact O-N 2.75Å; L523-V537 WeakPolarHBondContact O-CG1 3.38Å
524	E	93.9	Very high	96.4	Very high	42 Å²	42	59.6 Å²	59.6	20%	0.196	29%	0.29	C	S	.	.			trans	52.1	44.7	-178.6	-57.6	-176.6	137.9	0	0	112.4	R427 L520 N521 K538	R427-E524 IonicContact CZ-OE1 3.69Å; R427-E524 VanDerWaalsContact CZ-OE1 3.29Å; R427-E524 IonicContact NE-OE1 2.69Å; R427-E524 PolarHBondContact NE-OE1 3.3Å; R427-E524 IonicContact NH2-OE1 2.71Å; R427-E524 PolarHBondContact NH2-OE1 3.05Å; R427-E524 IonicContact NH2-OE2 3.28Å; L520-E524 HydrophobicContact CD1-CB 4.41Å; N521-E524 WeakPolarHBondContact O-CA 3.38Å; N521-E524 PolarHBondContact O-N 2.99Å; E524-K538 HydrophobicContact CB-CG 4Å; E524-K538 PolarHBondContact O-N 2.77Å; E524-K538 WeakPolarHBondContact OE2-CG 3.33Å
525	Q	97.4	Very high	96.5	Very high	51 Å²	51	60.7 Å²	60.7	24%	0.238	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.1	176.9	-63.5	-180	-78.2	0	0	111.2	P518 L523 T535 G536 V537	P518-Q525 HydrophobicContact CB-CB 3.77Å; P518-Q525 HydrophobicContact CG-CB 3.54Å; L523-Q525 VanDerWaalsContact C-N 3.28Å; L523-Q525 HydrophobicContact CB-CG 3.9Å; L523-Q525 PolarHBondContact O-N 2.75Å; Q525-T535 HydrophobicContact CB-CG2 4.04Å; Q525-T535 HydrophobicContact CG-CG2 4.3Å; Q525-G536 VanDerWaalsContact CA-O 3.31Å; Q525-G536 WeakPolarHBondContact CA-O 3.48Å; Q525-V537 HydrophobicContact CG-CG2 4.2Å
526	Y	98.3	Very high	96.5	Very high	15 Å²	15	59.3 Å²	59.3	6%	0.059	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	165.9	178.3	69.8	-81.9	0	0	0	110.7	L438 E440 E528 T535 G536 L539	L438-Y526 WeakPolarHBondContact O-CA 3.43Å; L438-Y526 WeakPolarHBondContact O-CB 3.4Å; E440-Y526 HydrophobicContact CB-CD2 4.19Å; E440-Y526 HydrophobicContact CB-CE2 3.81Å; Y526-E528 HydrophobicContact CD2-CG 4.26Å; Y526-E528 HydrophobicContact CE2-CG 3.46Å; Y526-E528 VanDerWaalsContact CE2-CG 3.46Å; Y526-E528 PolarHBondContact OH-OE1 3Å; Y526-T535 WeakPolarHBondContact O-CA 3.35Å; Y526-G536 PolarHBondContact N-O 2.79Å; Y526-G536 PolarHBondContact O-N 3.36Å; Y526-L539 HydrophobicContact CD1-CB 3.83Å; Y526-L539 HydrophobicContact CE1-CB 3.57Å; Y526-L539 HydrophobicContact CE1-CD1 4.25Å; Y526-L539 HydrophobicContact CE1-CG 4.43Å; Y526-L539 HydrophobicContact CE2-CB 4.41Å; Y526-L539 HydrophobicContact CE2-CD1 3.96Å; Y526-L539 HydrophobicContact CE2-CD2 4.45Å; Y526-L539 HydrophobicContact CG-CB 4.36Å
527	L	98.7	Very high	96.5	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.1	174.9	-173.8	66.7	0	0	0	110.6	L438 Y439 E440 W517 I529 P533	L438-L527 PolarHBondContact O-N 3.07Å; Y439-L527 CarbonylContact C-O 3.56Å; Y439-L527 WeakPolarHBondContact CA-O 3.27Å; Y439-L527 WeakPolarHBondContact CB-O 3.02Å; E440-L527 PolarHBondContact N-O 2.83Å; W517-L527 HydrophobicContact CB-CD2 4.2Å; W517-L527 HydrophobicContact CD2-CB 3.85Å; W517-L527 HydrophobicContact CD2-CD2 3.48Å; W517-L527 VanDerWaalsContact CD2-CD2 3.48Å; W517-L527 HydrophobicContact CD2-CG 4.3Å; W517-L527 HydrophobicContact CE3-CD2 3.39Å; W517-L527 HydrophobicContact CG-CB 3.83Å; W517-L527 HydrophobicContact CG-CD2 3.87Å; W517-L527 HydrophobicContact CG-CG 4.41Å; W517-L527 HydrophobicContact CH2-CD2 4.48Å; W517-L527 HydrophobicContact CZ2-CB 4.46Å; W517-L527 HydrophobicContact CZ3-CD2 3.91Å; L527-I529 HydrophobicContact CB-CG1 4.48Å; L527-I529 HydrophobicContact CD2-CD1 4.27Å; L527-I529 HydrophobicContact CD2-CG1 3.77Å; L527-I529 HydrophobicContact CG-CG1 3.87Å; L527-I529 PolarHBondContact O-N 3.46Å; L527-P533 HydrophobicContact CD1-CB 4.25Å
528	E	98.5	Very high	96.4	Very high	45 Å²	45	61.4 Å²	61.4	21%	0.21	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	109.7	164.8	-65.4	176	176.7	0	0	107.5	E440 Y526 P533 R534	E440-E528 WeakPolarHBondContact O-CA 3.18Å; Y526-E528 HydrophobicContact CD2-CG 4.26Å; Y526-E528 HydrophobicContact CE2-CG 3.46Å; Y526-E528 VanDerWaalsContact CE2-CG 3.46Å; Y526-E528 PolarHBondContact OH-OE1 3Å; E528-P533 VanDerWaalsContact O-CA 3.28Å; E528-P533 WeakPolarHBondContact O-CA 3.21Å; E528-R534 HydrophobicContact CB-CB 4.45Å; E528-R534 WeakPolarHBondContact CB-O 3.36Å; E528-R534 PolarHBondContact N-O 3.28Å; E528-R534 PolarHBondContact O-N 3.48Å; E528-R534 VanDerWaalsContact O-N 3.13Å
529	I	98.6	Very high	96.3	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.3	-178.1	-58.3	177.1	0	0	0	108.8	Y439 E440 F441 Q442 L492 M496 W500 W517 L527	Y439-I529 HydrophobicContact CD2-CD1 3.79Å; Y439-I529 HydrophobicContact CG-CD1 3.75Å; E440-I529 PolarHBondContact O-N 3.02Å; F441-I529 HydrophobicContact CD2-CB 4.01Å; F441-I529 HydrophobicContact CD2-CG2 3.65Å; F441-I529 HydrophobicContact CE2-CG2 4.1Å; Q442-I529 PolarHBondContact N-O 3.05Å; L492-I529 HydrophobicContact CD1-CG2 3.91Å; M496-I529 HydrophobicContact CE-CG2 4.36Å; M496-I529 HydrophobicContact CG-CG2 4.09Å; M496-I529 HydrophobicContact SD-CG2 3.94Å; W500-I529 HydrophobicContact CH2-CD1 3.93Å; W500-I529 HydrophobicContact CZ3-CD1 4Å; W517-I529 HydrophobicContact CH2-CD1 3.92Å; W517-I529 HydrophobicContact CZ3-CD1 4.22Å; L527-I529 HydrophobicContact CB-CG1 4.48Å; L527-I529 HydrophobicContact CD2-CD1 4.27Å; L527-I529 HydrophobicContact CD2-CG1 3.77Å; L527-I529 HydrophobicContact CG-CG1 3.87Å; L527-I529 PolarHBondContact O-N 3.46Å
530	G	97.1	Very high	96.2	Very high	10 Å²	10	59.3 Å²	59.3	10%	0.103	29%	0.294	C	S	.	.	S	Bend	trans	-157.4	-168.3	171.7	0	0	0	0	0	109.9	L492 E532	L492-G530 WeakPolarHBondContact CD1-O 3.44Å; G530-E532 PolarHBondContact O-N 2.89Å
531	L	96.9	Very high	96.1	Very high	87 Å²	87	64.1 Å²	64.1	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-57.6	-35	177.2	-58	-176.8	0	0	0	112.2	E488 E489 L492 P533	E488-L531 HydrophobicContact CB-CD1 4.19Å; E488-L531 HydrophobicContact CB-CD2 3.9Å; E489-L531 HydrophobicContact CG-CD2 4.45Å; L492-L531 HydrophobicContact CB-CD2 4.29Å; L492-L531 HydrophobicContact CD2-CD2 4.08Å; L531-P533 WeakPolarHBondContact O-CD 3.43Å
532	E	95.6	Very high	96.2	Very high	137 Å²	137	66.5 Å²	66.5	64%	0.64	33%	0.328	S	S	*	.	S	Bend	trans	-115	93.4	170.4	-67.7	-175	179.8	0	0	109.7	G530 R534	G530-E532 PolarHBondContact O-N 2.89Å; E532-R534 IonicContact OE2-CZ 3.38Å; E532-R534 IonicContact OE2-NH2 2.7Å; E532-R534 PolarHBondContact OE2-NH2 3.14Å
533	P	95.4	Very high	96.4	Very high	50 Å²	50	60.5 Å²	60.5	33%	0.325	30%	0.297	S	S	.	.			trans	-69.9	139.5	-176.8	24.5	-30.7	0	0	0	111.9	P515 L527 E528 L531	P515-P533 HydrophobicContact CB-CB 3.91Å; P515-P533 HydrophobicContact CB-CG 3.64Å; P515-P533 HydrophobicContact CG-CB 3.93Å; P515-P533 HydrophobicContact CG-CG 3.24Å; L527-P533 HydrophobicContact CD1-CB 4.25Å; E528-P533 VanDerWaalsContact O-CA 3.28Å; E528-P533 WeakPolarHBondContact O-CA 3.21Å; L531-P533 WeakPolarHBondContact O-CD 3.43Å
534	R	96.6	Very high	96.3	Very high	147 Å²	147	55.8 Å²	55.8	56%	0.555	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.8	-175.9	-63	177.3	-172	-167.6	0.9	111.3	E528 E532	E528-R534 HydrophobicContact CB-CB 4.45Å; E528-R534 WeakPolarHBondContact CB-O 3.36Å; E528-R534 PolarHBondContact N-O 3.28Å; E528-R534 PolarHBondContact O-N 3.48Å; E528-R534 VanDerWaalsContact O-N 3.13Å; E532-R534 IonicContact OE2-CZ 3.38Å; E532-R534 IonicContact OE2-NH2 2.7Å; E532-R534 PolarHBondContact OE2-NH2 3.14Å
535	T	97.6	Very high	96.4	Very high	63 Å²	63	58.2 Å²	58.2	39%	0.387	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.4	171.6	-60	0	0	0	0	109.9	P518 Q525 Y526	P518-T535 HydrophobicContact CG-CG2 3.83Å; Q525-T535 HydrophobicContact CB-CG2 4.04Å; Q525-T535 HydrophobicContact CG-CG2 4.3Å; Y526-T535 WeakPolarHBondContact O-CA 3.35Å
536	G	96.9	Very high	96.2	Very high	4 Å²	4	56 Å²	56	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	166.4	169.5	0	0	0	0	0	111.9	Q525 Y526	Q525-G536 VanDerWaalsContact CA-O 3.31Å; Q525-G536 WeakPolarHBondContact CA-O 3.48Å; Y526-G536 PolarHBondContact N-O 2.79Å; Y526-G536 PolarHBondContact O-N 3.36Å
537	V	97.2	Very high	95.9	Very high	87 Å²	87	56.1 Å²	56.1	53%	0.527	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.9	-179.5	176.1	0	0	0	0	108.8	L523 Q525	L523-V537 WeakPolarHBondContact O-CG1 3.38Å; Q525-V537 HydrophobicContact CG-CG2 4.2Å
538	K	96	Very high	95.6	Very high	81 Å²	81	59.4 Å²	59.4	35%	0.352	29%	0.289	S	S	.	.	S	Bend	trans	53.7	64.7	176	-59.8	-175.5	173.3	-168.1	0	112.8	E524 K540 K541	E524-K538 HydrophobicContact CB-CG 4Å; E524-K538 PolarHBondContact O-N 2.77Å; E524-K538 WeakPolarHBondContact OE2-CG 3.33Å; K538-K540 PolarHBondContact O-N 2.86Å; K538-K541 HydrophobicContact CB-CB 3.88Å; K538-K541 HydrophobicContact CB-CD 4.34Å; K538-K541 HydrophobicContact CB-CG 4.14Å; K538-K541 HydrophobicContact CD-CD 3.89Å; K538-K541 HydrophobicContact CD-CG 4.23Å; K538-K541 WeakPolarHBondContact O-CB 3.35Å; K538-K541 PolarHBondContact O-N 3.42Å
539	L	96.6	Very high	95.3	Very high	10 Å²	10	62.7 Å²	62.7	5%	0.052	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	125.2	178.7	-178.9	56.4	0	0	0	110.6	V343 L423 E440 Y526 K541	V343-L539 HydrophobicContact CG2-CD2 4.23Å; L423-L539 WeakPolarHBondContact CD1-O 3.28Å; L423-L539 HydrophobicContact CD2-CB 4.2Å; L423-L539 HydrophobicContact CD2-CD2 4.12Å; L423-L539 HydrophobicContact CD2-CG 4.41Å; E440-L539 HydrophobicContact CB-CD1 4.33Å; E440-L539 HydrophobicContact CB-CD2 4.19Å; E440-L539 HydrophobicContact CG-CD1 4.47Å; Y526-L539 HydrophobicContact CD1-CB 3.83Å; Y526-L539 HydrophobicContact CE1-CB 3.57Å; Y526-L539 HydrophobicContact CE1-CD1 4.25Å; Y526-L539 HydrophobicContact CE1-CG 4.43Å; Y526-L539 HydrophobicContact CE2-CB 4.41Å; Y526-L539 HydrophobicContact CE2-CD1 3.96Å; Y526-L539 HydrophobicContact CE2-CD2 4.45Å; Y526-L539 HydrophobicContact CG-CB 4.36Å; L539-K541 PolarHBondContact O-N 3.39Å; L539-K541 VanDerWaalsContact O-N 3.13Å
540	K	95.5	Very high	95	Very high	47 Å²	47	64.4 Å²	64.4	20%	0.204	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	32.4	179.8	-59	-79.9	-165.8	-177.1	0	114.5	E411 V419 L423 K538 N542 R543 L544	E411-K540 IonicContact OE1-NZ 2.83Å; E411-K540 PolarHBondContact OE1-NZ 3.03Å; E411-K540 IonicContact OE2-NZ 3.81Å; E411-K540 PolarHBondContact OE2-NZ 3.17Å; V419-K540 HydrophobicContact CG1-CG 3.95Å; L423-K540 HydrophobicContact CD1-CB 4.43Å; K538-K540 PolarHBondContact O-N 2.86Å; K540-N542 VanDerWaalsContact C-N 3.31Å; K540-N542 PolarHBondContact O-N 3.43Å; K540-R543 HydrophobicContact CB-CB 4.29Å; K540-R543 PolarHBondContact O-N 3.02Å; K540-L544 PolarHBondContact O-N 2.85Å
541	K	94.8	Very high	94.8	Very high	111 Å²	111	64.3 Å²	64.3	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-37.8	-52.9	-177.1	-171.8	-169.2	173.3	-164.8	0	115	K538 L539 L544 Q545	K538-K541 HydrophobicContact CB-CB 3.88Å; K538-K541 HydrophobicContact CB-CD 4.34Å; K538-K541 HydrophobicContact CB-CG 4.14Å; K538-K541 HydrophobicContact CD-CD 3.89Å; K538-K541 HydrophobicContact CD-CG 4.23Å; K538-K541 WeakPolarHBondContact O-CB 3.35Å; K538-K541 PolarHBondContact O-N 3.42Å; L539-K541 PolarHBondContact O-N 3.39Å; L539-K541 VanDerWaalsContact O-N 3.13Å; K541-L544 PolarHBondContact O-N 3.17Å; K541-Q545 PolarHBondContact O-N 3.35Å
542	N	94.3	Very high	94.6	Very high	114 Å²	114	62.9 Å²	62.9	61%	0.61	31%	0.308	S	S	*	.	H	α-helix	trans	-68.7	-39.4	-175.2	-63.9	-10.8	0	0	0	111.9	K540 Q545 F546	K540-N542 VanDerWaalsContact C-N 3.31Å; K540-N542 PolarHBondContact O-N 3.43Å; N542-Q545 PolarHBondContact O-N 3.02Å; N542-F546 PolarHBondContact O-N 3.35Å
543	R	94.7	Very high	94.4	Very high	60 Å²	60	62.1 Å²	62.1	23%	0.226	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-43.4	175.4	-65.5	-57.9	-171.5	-150.2	8	110.9	E394 K540 Q545 F546 W547	E394-R543 PolarHBondContact O-NH1 3.23Å; E394-R543 PolarHBondContact O-NH2 3.34Å; E394-R543 VanDerWaalsContact O-NH2 3.16Å; E394-R543 IonicContact OE1-NH1 2.76Å; E394-R543 PolarHBondContact OE1-NH1 2.82Å; K540-R543 HydrophobicContact CB-CB 4.29Å; K540-R543 PolarHBondContact O-N 3.02Å; R543-Q545 VanDerWaalsContact C-N 3.32Å; R543-Q545 PolarHBondContact O-N 3.16Å; R543-F546 WeakPolarHBondContact O-CA 3.31Å; R543-F546 WeakPolarHBondContact O-CB 3.27Å; R543-F546 PolarHBondContact O-N 3.13Å; R543-F546 VanDerWaalsContact O-N 3.08Å; R543-W547 PolarHBondContact O-N 3.45Å
544	L	92.8	Very high	94.3	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-43.4	177.6	-166.6	56.5	0	0	0	111.7	I420 L423 R427 K540 K541 F546 W547 E548	I420-L544 HydrophobicContact CD1-CB 4.43Å; I420-L544 HydrophobicContact CD1-CD1 3.86Å; I420-L544 HydrophobicContact CG2-CD1 4.3Å; L423-L544 HydrophobicContact CB-CD1 4.28Å; L423-L544 HydrophobicContact CB-CD2 4.31Å; L423-L544 HydrophobicContact CD1-CD1 4.38Å; L423-L544 HydrophobicContact CD1-CD2 3.99Å; R427-L544 VanDerWaalsContact NH1-CD2 3.28Å; K540-L544 PolarHBondContact O-N 2.85Å; K541-L544 PolarHBondContact O-N 3.17Å; L544-F546 VanDerWaalsContact C-N 3.31Å; L544-F546 PolarHBondContact O-N 3.39Å; L544-W547 PolarHBondContact O-N 3.41Å; L544-E548 HydrophobicContact CD1-CG 4Å; L544-E548 HydrophobicContact CG-CG 4.45Å; L544-E548 WeakPolarHBondContact O-CB 3.31Å; L544-E548 WeakPolarHBondContact O-CG 3.37Å; L544-E548 PolarHBondContact O-N 2.94Å
545	Q	94.3	Very high	94	Very high	92 Å²	92	57.9 Å²	57.9	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-40.5	172.5	-174.2	174	22.4	0	0	112.6	K541 N542 R543 E549 T550	K541-Q545 PolarHBondContact O-N 3.35Å; N542-Q545 PolarHBondContact O-N 3.02Å; R543-Q545 VanDerWaalsContact C-N 3.32Å; R543-Q545 PolarHBondContact O-N 3.16Å; Q545-E549 HydrophobicContact CG-CB 4.48Å; Q545-E549 HydrophobicContact CG-CG 4.5Å; Q545-E549 WeakPolarHBondContact CG-OE2 3.36Å; Q545-E549 PolarHBondContact NE2-OE2 2.76Å; Q545-E549 VanDerWaalsContact NE2-OE2 3.1Å; Q545-E549 WeakPolarHBondContact O-CB 3.33Å; Q545-E549 PolarHBondContact O-N 3.16Å; Q545-T550 PolarHBondContact O-N 3.06Å
546	F	94.9	Very high	93.7	Very high	5 Å²	5	60.6 Å²	60.6	2%	0.022	29%	0.289	C	S	.	.	I	π-helix	trans	-60.4	-52.2	174.8	171.5	-96.6	0	0	0	111.4	V391 E394 N542 R543 L544 T550 L551	V391-F546 HydrophobicContact CB-CZ 4.45Å; V391-F546 HydrophobicContact CG1-CE1 4.36Å; V391-F546 HydrophobicContact CG2-CE1 4.12Å; V391-F546 HydrophobicContact CG2-CZ 3.99Å; E394-F546 HydrophobicContact CB-CD2 4.17Å; E394-F546 HydrophobicContact CB-CE1 4.18Å; E394-F546 HydrophobicContact CB-CE2 3.73Å; E394-F546 HydrophobicContact CB-CZ 3.74Å; E394-F546 VanDerWaalsContact CD-CD2 3.48Å; E394-F546 HydrophobicContact CG-CB 4.36Å; E394-F546 HydrophobicContact CG-CD1 3.82Å; E394-F546 HydrophobicContact CG-CD2 3.54Å; E394-F546 HydrophobicContact CG-CE1 3.91Å; E394-F546 HydrophobicContact CG-CE2 3.64Å; E394-F546 HydrophobicContact CG-CG 3.63Å; E394-F546 HydrophobicContact CG-CZ 3.83Å; E394-F546 WeakPolarHBondContact OE2-CD2 3.25Å; N542-F546 PolarHBondContact O-N 3.35Å; R543-F546 WeakPolarHBondContact O-CA 3.31Å; R543-F546 WeakPolarHBondContact O-CB 3.27Å; R543-F546 PolarHBondContact O-N 3.13Å; R543-F546 VanDerWaalsContact O-N 3.08Å; L544-F546 VanDerWaalsContact C-N 3.31Å; L544-F546 PolarHBondContact O-N 3.39Å; F546-T550 HydrophobicContact CD2-CG2 4.11Å; F546-T550 HydrophobicContact CE2-CG2 4.45Å; F546-T550 PolarHBondContact O-N 3.2Å; F546-L551 HydrophobicContact CE1-CB 4.2Å; F546-L551 HydrophobicContact CE1-CD2 4.26Å; F546-L551 HydrophobicContact CZ-CB 4.19Å; F546-L551 HydrophobicContact CZ-CD1 4.31Å; F546-L551 WeakPolarHBondContact O-CB 3.4Å; F546-L551 PolarHBondContact O-N 3.49Å
547	W	92.2	Very high	93.4	Very high	17 Å²	17	64 Å²	64	6%	0.064	30%	0.304	C	S	.	.	I	π-helix	trans	-67.9	-35.9	-175.6	-74.1	110.3	0	0	0	113.9	L378 M381 M383 V391 Y395 L412 I416 I420 R543 L544 L551 P552	L378-W547 HydrophobicContact CD2-CH2 4.41Å; M381-W547 HydrophobicContact CE-CE3 3.82Å; M381-W547 HydrophobicContact CE-CH2 4.31Å; M381-W547 HydrophobicContact CE-CZ3 3.57Å; M381-W547 HydrophobicContact SD-CE3 4.49Å; M381-W547 HydrophobicContact SD-CH2 3.97Å; M381-W547 HydrophobicContact SD-CZ3 3.65Å; M383-W547 HydrophobicContact CE-CH2 4.38Å; M383-W547 HydrophobicContact CE-CZ3 3.94Å; V391-W547 HydrophobicContact CG1-CH2 3.49Å; V391-W547 VanDerWaalsContact CG1-CH2 3.49Å; V391-W547 HydrophobicContact CG1-CZ2 3.86Å; V391-W547 HydrophobicContact CG1-CZ3 4.32Å; Y395-W547 AromaticContact CE2-CZ2 3.98Å; Y395-W547 HydrophobicContact CE2-CZ2 3.98Å; Y395-W547 AromaticContact CZ-NE1 3.9Å; Y395-W547 PolarHBondContact OH-NE1 3.37Å; L412-W547 HydrophobicContact CD1-CH2 4.3Å; L412-W547 HydrophobicContact CD1-CZ2 3.92Å; I416-W547 HydrophobicContact CD1-CH2 3.89Å; I416-W547 HydrophobicContact CD1-CZ2 4.28Å; I416-W547 HydrophobicContact CG1-CH2 3.5Å; I416-W547 VanDerWaalsContact CG1-CH2 3.5Å; I416-W547 HydrophobicContact CG1-CZ2 3.66Å; I416-W547 HydrophobicContact CG1-CZ3 4.41Å; I420-W547 HydrophobicContact CD1-CB 4.46Å; I420-W547 HydrophobicContact CD1-CG 4.21Å; I420-W547 HydrophobicContact CG1-CG 4.03Å; I420-W547 HydrophobicContact CG2-CB 4.2Å; I420-W547 HydrophobicContact CG2-CG 4.44Å; R543-W547 PolarHBondContact O-N 3.45Å; L544-W547 PolarHBondContact O-N 3.41Å; W547-L551 HydrophobicContact CE3-CD2 3.46Å; W547-L551 VanDerWaalsContact CE3-CD2 3.46Å; W547-L551 HydrophobicContact CZ3-CD2 3.5Å; W547-P552 VanDerWaalsContact O-CD 3.29Å; W547-P552 WeakPolarHBondContact O-CD 3.44Å
548	E	90.4	Very high	93.1	Very high	72 Å²	72	62 Å²	62	34%	0.336	29%	0.287	S	S	.	.	I	π-helix	trans	-94	-29.4	-174.6	-67.5	-177.4	145.8	0	0	114.2	N424 R427 L544 P552	N424-E548 PolarHBondContact OD1-OE1 3.31Å; R427-E548 IonicContact CZ-OE2 3.38Å; R427-E548 IonicContact NH1-OE1 2.97Å; R427-E548 PolarHBondContact NH1-OE1 3.3Å; R427-E548 IonicContact NH1-OE2 3.62Å; R427-E548 PolarHBondContact NH1-OE2 2.95Å; L544-E548 HydrophobicContact CD1-CG 4Å; L544-E548 HydrophobicContact CG-CG 4.45Å; L544-E548 WeakPolarHBondContact O-CB 3.31Å; L544-E548 WeakPolarHBondContact O-CG 3.37Å; L544-E548 PolarHBondContact O-N 2.94Å; E548-P552 WeakPolarHBondContact O-CG 3.45Å
549	E	92.3	Very high	92.8	Very high	113 Å²	113	62.5 Å²	62.5	53%	0.528	29%	0.291	S	S	.	.	I	π-helix	trans	-115.7	-53.6	-174.5	-58.3	178.9	179.4	0	0	111.8	Q545 R553	Q545-E549 HydrophobicContact CG-CB 4.48Å; Q545-E549 HydrophobicContact CG-CG 4.5Å; Q545-E549 WeakPolarHBondContact CG-OE2 3.36Å; Q545-E549 PolarHBondContact NE2-OE2 2.76Å; Q545-E549 VanDerWaalsContact NE2-OE2 3.1Å; Q545-E549 WeakPolarHBondContact O-CB 3.33Å; Q545-E549 PolarHBondContact O-N 3.16Å; E549-R553 WeakPolarHBondContact O-CB 3.47Å; E549-R553 PolarHBondContact O-N 3.3Å
550	T	93.9	Very high	92.5	Very high	40 Å²	40	67.4 Å²	67.4	25%	0.245	31%	0.313	C	S	.	.	I	π-helix	trans	-72.8	-48.8	-169.4	-59.9	0	0	0	0	111.7	Q545 F546 R553 K554	Q545-T550 PolarHBondContact O-N 3.06Å; F546-T550 HydrophobicContact CD2-CG2 4.11Å; F546-T550 HydrophobicContact CE2-CG2 4.45Å; F546-T550 PolarHBondContact O-N 3.2Å; T550-R553 PolarHBondContact O-N 3.32Å; T550-K554 HydrophobicContact CG2-CD 4.47Å; T550-K554 WeakPolarHBondContact O-CG 3.44Å; T550-K554 PolarHBondContact O-N 2.99Å
551	L	92.1	Very high	92.2	Very high	8 Å²	8	69.9 Å²	69.9	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-66	-48.2	-177.6	178.6	65.8	0	0	0	111.9	M383 I387 V391 F546 W547 R553 K554 I555	M383-L551 HydrophobicContact CE-CD2 4.02Å; I387-L551 HydrophobicContact CG2-CD1 3.7Å; V391-L551 HydrophobicContact CG2-CD1 3.7Å; V391-L551 HydrophobicContact CG2-CD2 3.9Å; V391-L551 HydrophobicContact CG2-CG 4.45Å; F546-L551 HydrophobicContact CE1-CB 4.2Å; F546-L551 HydrophobicContact CE1-CD2 4.26Å; F546-L551 HydrophobicContact CZ-CB 4.19Å; F546-L551 HydrophobicContact CZ-CD1 4.31Å; F546-L551 WeakPolarHBondContact O-CB 3.4Å; F546-L551 PolarHBondContact O-N 3.49Å; W547-L551 HydrophobicContact CE3-CD2 3.46Å; W547-L551 VanDerWaalsContact CE3-CD2 3.46Å; W547-L551 HydrophobicContact CZ3-CD2 3.5Å; L551-R553 VanDerWaalsContact C-N 3.32Å; L551-R553 PolarHBondContact O-N 3.05Å; L551-K554 PolarHBondContact O-N 2.04Å; L551-K554 VanDerWaalsContact O-N 3.15Å; L551-I555 HydrophobicContact CD1-CD1 4.25Å; L551-I555 HydrophobicContact CD1-CG1 4.41Å; L551-I555 HydrophobicContact CG-CD1 4.04Å; L551-I555 WeakPolarHBondContact O-CG1 3.46Å; L551-I555 PolarHBondContact O-N 3.34Å
552	P	91.8	Very high	91.9	Very high	58 Å²	58	67.1 Å²	67.1	38%	0.377	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-40.1	175.7	-28.5	39	0	0	0	113.3	W547 E548 I555 Q556	W547-P552 VanDerWaalsContact O-CD 3.29Å; W547-P552 WeakPolarHBondContact O-CD 3.44Å; E548-P552 WeakPolarHBondContact O-CG 3.45Å; P552-I555 PolarHBondContact O-N 3.26Å; P552-Q556 PolarHBondContact O-N 2.8Å
553	R	92.9	Very high	91.5	Very high	120 Å²	120	69.4 Å²	69.4	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-46.2	174.5	-178	-178.5	60.2	83.7	-0.4	111.7	E549 T550 L551 I555 Q556 E557	E549-R553 WeakPolarHBondContact O-CB 3.47Å; E549-R553 PolarHBondContact O-N 3.3Å; T550-R553 PolarHBondContact O-N 3.32Å; L551-R553 VanDerWaalsContact C-N 3.32Å; L551-R553 PolarHBondContact O-N 3.05Å; R553-I555 VanDerWaalsContact C-N 3.32Å; R553-I555 PolarHBondContact O-N 2.84Å; R553-Q556 PolarHBondContact O-N 3.1Å; R553-E557 WeakPolarHBondContact CG-OE1 3.33Å; R553-E557 IonicContact CZ-OE1 2.7Å; R553-E557 IonicContact NH1-OE1 2.8Å; R553-E557 PolarHBondContact NH1-OE1 2.81Å; R553-E557 IonicContact NH1-OE2 3.74Å; R553-E557 PolarHBondContact NH1-OE2 2.92Å; R553-E557 WeakPolarHBondContact O-CG 3.41Å; R553-E557 PolarHBondContact O-N 2.94Å
554	K	91.7	Very high	90.8	Very high	71 Å²	71	70.2 Å²	70.2	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-39.4	177	-74.3	-171.9	176.9	-167.3	0	112.3	T390 T550 L551 E557 W558	T390-K554 HydrophobicContact CG2-CD 3.65Å; T550-K554 HydrophobicContact CG2-CD 4.47Å; T550-K554 WeakPolarHBondContact O-CG 3.44Å; T550-K554 PolarHBondContact O-N 2.99Å; L551-K554 PolarHBondContact O-N 2.04Å; L551-K554 VanDerWaalsContact O-N 3.15Å; K554-E557 PolarHBondContact O-N 3.36Å; K554-W558 WeakPolarHBondContact O-CB 3.45Å; K554-W558 PolarHBondContact O-N 3.02Å
555	I	91.2	Very high	90.1	Very high	38 Å²	38	78.2 Å²	78.2	20%	0.195	36%	0.364	C	S	.	.	H	α-helix	trans	-63.7	-43.4	175	-68.1	168.3	0	0	0	110.7	P384 I387 L551 P552 R553 W558 H559	P384-I555 HydrophobicContact CG-CG2 4.32Å; I387-I555 HydrophobicContact CG2-CG1 4.01Å; L551-I555 HydrophobicContact CD1-CD1 4.25Å; L551-I555 HydrophobicContact CD1-CG1 4.41Å; L551-I555 HydrophobicContact CG-CD1 4.04Å; L551-I555 WeakPolarHBondContact O-CG1 3.46Å; L551-I555 PolarHBondContact O-N 3.34Å; P552-I555 PolarHBondContact O-N 3.26Å; R553-I555 VanDerWaalsContact C-N 3.32Å; R553-I555 PolarHBondContact O-N 2.84Å; I555-W558 WeakPolarHBondContact O-CB 3.08Å; I555-W558 PolarHBondContact O-N 3.24Å; I555-H559 PolarHBondContact O-CD2 3.18Å; I555-H559 VanDerWaalsContact O-CD2 3.22Å; I555-H559 PolarHBondContact O-N 2.63Å
556	Q	91.1	Very high	88.9	Confident	119 Å²	119	80.7 Å²	80.7	56%	0.556	37%	0.373	S	S	*	.	H	α-helix	trans	-63.2	-45.5	177.4	-173.1	-179.6	8	0	0	112.1	P552 R553 W558 H559 Q560	P552-Q556 PolarHBondContact O-N 2.8Å; R553-Q556 PolarHBondContact O-N 3.1Å; Q556-W558 VanDerWaalsContact C-N 3.31Å; Q556-W558 PolarHBondContact O-N 3.15Å; Q556-H559 PolarHBondContact O-N 2.81Å; Q556-Q560 WeakPolarHBondContact O-CG 3.3Å; Q556-Q560 PolarHBondContact O-N 3.25Å
557	E	90.8	Very high	87.1	Confident	76 Å²	76	83.3 Å²	83.3	36%	0.355	40%	0.395	S	S	.	.	H	α-helix	trans	-59.1	-43	175.2	-73.4	168.9	-175.9	0	0	111.1	R553 K554 Q560 Q561	R553-E557 WeakPolarHBondContact CG-OE1 3.33Å; R553-E557 IonicContact CZ-OE1 2.7Å; R553-E557 IonicContact NH1-OE1 2.8Å; R553-E557 PolarHBondContact NH1-OE1 2.81Å; R553-E557 IonicContact NH1-OE2 3.74Å; R553-E557 PolarHBondContact NH1-OE2 2.92Å; R553-E557 WeakPolarHBondContact O-CG 3.41Å; R553-E557 PolarHBondContact O-N 2.94Å; K554-E557 PolarHBondContact O-N 3.36Å; E557-Q560 PolarHBondContact O-N 3.42Å; E557-Q561 WeakPolarHBondContact O-CG 3.01Å; E557-Q561 PolarHBondContact O-N 3.06Å
558	W	91	Very high	85.4	Confident	45 Å²	45	86.8 Å²	86.8	17%	0.17	42%	0.42	C	S	.	.	H	α-helix	trans	-60.5	-46.9	174.9	177.4	89.3	0	0	0	112.3	P384 E386 I387 K554 I555 Q556 Q560 Q561 Q562	P384-W558 HydrophobicContact CB-CD2 4.42Å; P384-W558 HydrophobicContact CB-CE3 4.12Å; P384-W558 HydrophobicContact CB-CH2 3.85Å; P384-W558 HydrophobicContact CB-CZ2 4.14Å; P384-W558 HydrophobicContact CB-CZ3 3.82Å; P384-W558 HydrophobicContact CG-CE3 3.95Å; P384-W558 HydrophobicContact CG-CH2 4.31Å; P384-W558 HydrophobicContact CG-CZ3 3.78Å; E386-W558 HydrophobicContact CG-CZ2 4.46Å; E386-W558 WeakPolarHBondContact OE2-CZ2 3.24Å; I387-W558 HydrophobicContact CD1-CB 3.83Å; I387-W558 HydrophobicContact CD1-CG 3.95Å; I387-W558 HydrophobicContact CG1-CB 4.24Å; I387-W558 HydrophobicContact CG1-CD2 4.5Å; I387-W558 HydrophobicContact CG1-CG 4.08Å; K554-W558 WeakPolarHBondContact O-CB 3.45Å; K554-W558 PolarHBondContact O-N 3.02Å; I555-W558 WeakPolarHBondContact O-CB 3.08Å; I555-W558 PolarHBondContact O-N 3.24Å; Q556-W558 VanDerWaalsContact C-N 3.31Å; Q556-W558 PolarHBondContact O-N 3.15Å; W558-Q560 VanDerWaalsContact C-N 3.29Å; W558-Q560 PolarHBondContact O-N 3.3Å; W558-Q561 PolarHBondContact O-N 2.99Å; W558-Q562 HydrophobicContact CD2-CG 4Å; W558-Q562 HydrophobicContact CE3-CG 4.36Å; W558-Q562 HydrophobicContact CH2-CG 4.17Å; W558-Q562 HydrophobicContact CZ2-CG 3.8Å; W558-Q562 HydrophobicContact CZ3-CG 4.45Å; W558-Q562 WeakPolarHBondContact O-CG 3.42Å; W558-Q562 PolarHBondContact O-N 3.16Å
559	H	89.4	Confident	83.6	Confident	92 Å²	92	91.5 Å²	91.5	43%	0.426	44%	0.442	S	S	.	.	H	α-helix	trans	-59.8	-38.6	176.1	-79.5	-60.3	0	0	0	112.7	I555 Q556 Q562 K563	I555-H559 PolarHBondContact O-CD2 3.18Å; I555-H559 VanDerWaalsContact O-CD2 3.22Å; I555-H559 PolarHBondContact O-N 2.63Å; Q556-H559 PolarHBondContact O-N 2.81Å; H559-Q562 PolarHBondContact O-N 3.45Å; H559-K563 WeakPolarHBondContact O-CG 2.96Å; H559-K563 PolarHBondContact O-N 2.64Å; H559-K563 VanDerWaalsContact O-N 3.13Å
560	Q	90.6	Very high	81.7	Confident	112 Å²	112	94.9 Å²	94.9	52%	0.523	46%	0.458	S	S	.	.	H	α-helix	trans	-64.6	-44	175.9	-71.4	174.4	-2.8	0	0	111.5	Q556 E557 W558 Q562 K563 S564	Q556-Q560 WeakPolarHBondContact O-CG 3.3Å; Q556-Q560 PolarHBondContact O-N 3.25Å; E557-Q560 PolarHBondContact O-N 3.42Å; W558-Q560 VanDerWaalsContact C-N 3.29Å; W558-Q560 PolarHBondContact O-N 3.3Å; Q560-Q562 PolarHBondContact O-N 2.96Å; Q560-K563 PolarHBondContact O-N 2.91Å; Q560-S564 PolarHBondContact O-N 2.8Å; Q560-S564 PolarHBondContact O-OG 2.68Å
561	Q	89.6	Confident	79.1	Confident	99 Å²	99	103.3 Å²	103.3	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-38.8	176.9	-70.1	174.4	17	0	0	112.7	E557 W558 S564 R565	E557-Q561 WeakPolarHBondContact O-CG 3.01Å; E557-Q561 PolarHBondContact O-N 3.06Å; W558-Q561 PolarHBondContact O-N 2.99Å; Q561-S564 WeakPolarHBondContact CA-OG 3.23Å; Q561-S564 PolarHBondContact O-N 3.11Å; Q561-S564 PolarHBondContact O-OG 3.25Å; Q561-R565 WeakPolarHBondContact O-CG 3.27Å; Q561-R565 PolarHBondContact O-N 3.08Å
562	Q	88.1	Confident	78.5	Confident	53 Å²	53	108.1 Å²	108.1	25%	0.248	52%	0.524	C	S	.	.	H	α-helix	trans	-65.5	-39.5	176.2	-68.5	-62.5	-17.4	0	0	111.9	W558 H559 Q560 R565 K566	W558-Q562 HydrophobicContact CD2-CG 4Å; W558-Q562 HydrophobicContact CE3-CG 4.36Å; W558-Q562 HydrophobicContact CH2-CG 4.17Å; W558-Q562 HydrophobicContact CZ2-CG 3.8Å; W558-Q562 HydrophobicContact CZ3-CG 4.45Å; W558-Q562 WeakPolarHBondContact O-CG 3.42Å; W558-Q562 PolarHBondContact O-N 3.16Å; H559-Q562 PolarHBondContact O-N 3.45Å; Q560-Q562 PolarHBondContact O-N 2.96Å; Q562-R565 PolarHBondContact O-N 3.28Å; Q562-K566 PolarHBondContact O-N 3.21Å
563	K	85.4	Confident	77.8	Confident	163 Å²	163	110.7 Å²	110.7	71%	0.709	53%	0.531	S	S	*	.	H	α-helix	trans	-64.8	-43	174.7	-73.2	178.1	179.8	-177.5	0	111.9	H559 Q560 R565 K566 A567	H559-K563 WeakPolarHBondContact O-CG 2.96Å; H559-K563 PolarHBondContact O-N 2.64Å; H559-K563 VanDerWaalsContact O-N 3.13Å; Q560-K563 PolarHBondContact O-N 2.91Å; K563-R565 VanDerWaalsContact C-N 3.3Å; K563-R565 PolarHBondContact O-N 2.8Å; K563-K566 PolarHBondContact O-N 2.82Å; K563-A567 PolarHBondContact O-N 2.92Å
564	S	80.6	Confident	76.9	Confident	77 Å²	77	110.2 Å²	110.2	54%	0.538	54%	0.536	S	S	.	.	H	α-helix	trans	-67.8	-27.7	177.8	59.9	0	0	0	0	113.6	Q560 Q561 P568	Q560-S564 PolarHBondContact O-N 2.8Å; Q560-S564 PolarHBondContact O-OG 2.68Å; Q561-S564 WeakPolarHBondContact CA-OG 3.23Å; Q561-S564 PolarHBondContact O-N 3.11Å; Q561-S564 PolarHBondContact O-OG 3.25Å; S564-P568 WeakPolarHBondContact O-CD 3.43Å
565	R	77.8	Confident	76	Confident	172 Å²	172	112.5 Å²	112.5	65%	0.649	55%	0.549	S	S	*	.	H	α-helix	trans	-75.2	-26.5	175.9	-77.5	177.8	-179.5	-177.2	1.7	113.7	Q561 Q562 K563 P568	Q561-R565 WeakPolarHBondContact O-CG 3.27Å; Q561-R565 PolarHBondContact O-N 3.08Å; Q562-R565 PolarHBondContact O-N 3.28Å; K563-R565 VanDerWaalsContact C-N 3.3Å; K563-R565 PolarHBondContact O-N 2.8Å; R565-P568 VanDerWaalsContact O-CD 3.27Å; R565-P568 WeakPolarHBondContact O-CD 3.33Å
566	K	69	Low	75.1	Confident	145 Å²	145	117.2 Å²	117.2	63%	0.63	57%	0.571	S	S	*	*	H	α-helix	trans	-87.4	-22.6	178.2	-69.7	-176	177.4	-172.5	0	113.8	Q562 K563 E569	Q562-K566 PolarHBondContact O-N 3.21Å; K563-K566 PolarHBondContact O-N 2.82Å; K566-E569 PolarHBondContact O-N 3.41Å
567	A	57.7	Low	74	Confident	59 Å²	59	117.1 Å²	117.1	49%	0.488	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-60.5	-27.3	178.5	0	0	0	0	0	116.6	K563 E569	K563-A567 PolarHBondContact O-N 2.92Å; A567-E569 VanDerWaalsContact C-N 3.34Å
568	P	56.6	Low	72.8	Confident	90 Å²	90	120 Å²	120	58%	0.584	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-79.8	-5.7	177.8	-13.5	30	0	0	0	115.3	S564 R565	S564-P568 WeakPolarHBondContact O-CD 3.43Å; R565-P568 VanDerWaalsContact O-CD 3.27Å; R565-P568 WeakPolarHBondContact O-CD 3.33Å
569	E	52.7	Low	71.4	Confident	171 Å²	171	125.8 Å²	125.8	80%	0.799	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-98.9	-4.6	-179	-70.8	-176.6	162.7	0	0	113.6	K566 A567	K566-E569 PolarHBondContact O-N 3.41Å; A567-E569 VanDerWaalsContact C-N 3.34Å
570	E	50.8	Low	69.9	Low	185 Å²	185	128.6 Å²	128.6	86%	0.864	64%	0.636	S	S	*	*			trans	-110.6	14.9	176.9	-70.9	-174.4	162.7	0	0	113.7
571	L	40.5	Very low	68.1	Low	217 Å²	217	130.1 Å²	130.1	100%	1.136	65%	0.646	S	S	*	*			trans	-120	0	170	-88.5	158.1	0	0	0	109.3

Retrieved 571 of 571 residues in 113.4 ms (Link to these results)

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