A0A077Z0M6_TRITR Loading...

GMP synthase (glutamine-hydrolyzing)

AlphaFold DB , UniProt , Accession A0A077Z0M6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 685 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	38.1	Very low	31.1	Very low	250 Å²	250	146.5 Å²	146.5	100%	1.232	84%	0.838	S	S	*	*				0	136.7	0	-79.1	175.8	169.6	0	0	107.8
2	S	34.1	Very low	31	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	83%	0.83	S	S	*	*			trans	-71.4	120.8	-170.8	49.7	0	0	0	0	113
3	E	32.9	Very low	30.8	Very low	192 Å²	192	144.5 Å²	144.5	90%	0.897	83%	0.826	S	S	*	*			trans	-125.1	103.1	154.4	-79.3	-173.9	163.6	0	0	108
4	K	30.9	Very low	30.5	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.9	125.4	168.5	-82.6	-179.8	174	178.2	0	107.6	S6	K4-S6 PolarHBondContact O-N 3.05Å
5	P	34.4	Very low	30.2	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.7	130.2	174.6	28.6	-30.5	0	0	0	109.7
6	S	30.7	Very low	29.9	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.8	135	179	43.1	0	0	0	0	111.7	K4 N8	K4-S6 PolarHBondContact O-N 3.05Å; S6-N8 PolarHBondContact O-N 3Å; S6-N8 VanDerWaalsContact O-N 3.1Å
7	A	30.7	Very low	29.7	Very low	94 Å²	94	138.2 Å²	138.2	78%	0.777	80%	0.8	S	S	*	*			trans	-71.3	96.2	173.4	0	0	0	0	0	110.1	C9	A7-C9 PolarHBondContact O-N 2.92Å
8	N	30.4	Very low	29.4	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	81%	0.805	S	S	*	*			trans	-80.3	92.6	166.2	-91.1	-15.5	0	0	0	109.2	S6 V10	S6-N8 PolarHBondContact O-N 3Å; S6-N8 VanDerWaalsContact O-N 3.1Å; N8-V10 VanDerWaalsContact C-N 3.31Å; N8-V10 PolarHBondContact O-N 2.98Å
9	C	25.5	Very low	29.2	Very low	127 Å²	127	147.2 Å²	147.2	86%	0.858	81%	0.811	S	S	*	*			trans	-66.3	89.3	163	-76.2	0	0	0	0	109.2	A7 N11	A7-C9 PolarHBondContact O-N 2.92Å; C9-N11 PolarHBondContact O-N 3.34Å
10	V	29	Very low	29	Very low	116 Å²	116	145 Å²	145	70%	0.703	81%	0.813	S	S	*	*			trans	-79.4	112.2	169.7	-178.2	0	0	0	0	108	N8 V12	N8-V10 VanDerWaalsContact C-N 3.31Å; N8-V10 PolarHBondContact O-N 2.98Å; V10-V12 HydrophobicContact CG1-CG2 3.98Å; V10-V12 PolarHBondContact O-N 3.47Å
11	N	25.8	Very low	28.9	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	81%	0.807	S	S	*	*			trans	-74.2	85.7	179.8	-150.3	-2.8	0	0	0	109	C9 N13	C9-N11 PolarHBondContact O-N 3.34Å; N11-N13 PolarHBondContact O-N 2.94Å; N11-N13 VanDerWaalsContact O-N 3.09Å
12	V	29.9	Very low	28.3	Very low	121 Å²	121	138.4 Å²	138.4	73%	0.733	79%	0.79	S	S	*	*			trans	-84.3	82.2	-179.8	-169.4	0	0	0	0	109.1	V10 G14	V10-V12 HydrophobicContact CG1-CG2 3.98Å; V10-V12 PolarHBondContact O-N 3.47Å; V12-G14 PolarHBondContact O-N 2.97Å
13	N	27.8	Very low	28.1	Very low	147 Å²	147	140.4 Å²	140.4	79%	0.786	79%	0.792	S	S	*	*			trans	-71	55.8	163.1	-89.5	-18.2	0	0	0	110.7	N11 S15	N11-N13 PolarHBondContact O-N 2.94Å; N11-N13 VanDerWaalsContact O-N 3.09Å; N13-S15 PolarHBondContact O-N 3.24Å
14	G	27.4	Very low	27.7	Very low	48 Å²	48	136.7 Å²	136.7	50%	0.495	79%	0.787	S	S	.	*			trans	-77.2	97.7	175.7	0	0	0	0	0	109.8	V12 V16	V12-G14 PolarHBondContact O-N 2.97Å; G14-V16 PolarHBondContact O-N 3.23Å
15	S	25.7	Very low	27.6	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	78%	0.783	S	S	*	*			trans	-57.3	98	167.5	37.3	0	0	0	0	110	N13 K17	N13-S15 PolarHBondContact O-N 3.24Å; S15-K17 VanDerWaalsContact C-N 3.33Å; S15-K17 PolarHBondContact O-N 2.9Å
16	V	25.6	Very low	27.2	Very low	131 Å²	131	136.4 Å²	136.4	79%	0.794	79%	0.785	S	S	*	*			trans	-71.2	92.2	174.8	-178.2	0	0	0	0	108.2	G14 R18	G14-V16 PolarHBondContact O-N 3.23Å; V16-R18 PolarHBondContact O-N 2.93Å; V16-R18 VanDerWaalsContact O-N 3.09Å
17	K	25.5	Very low	27	Very low	182 Å²	182	135.8 Å²	135.8	79%	0.791	79%	0.786	S	S	*	*			trans	-57.7	109.2	163.2	-80.6	-178.1	174.5	179.1	0	108	S15 F19	S15-K17 VanDerWaalsContact C-N 3.33Å; S15-K17 PolarHBondContact O-N 2.9Å; K17-F19 PolarHBondContact O-N 2.97Å; K17-F19 VanDerWaalsContact O-N 3.09Å
18	R	24.8	Very low	26.8	Very low	240 Å²	240	137.1 Å²	137.1	91%	0.906	78%	0.784	S	S	*	*			trans	-63.5	108.3	169.4	-75	-177.9	176	174.5	-1	108	V16 A20	V16-R18 PolarHBondContact O-N 2.93Å; V16-R18 VanDerWaalsContact O-N 3.09Å; R18-A20 PolarHBondContact O-N 2.76Å
19	F	25.8	Very low	26.4	Very low	206 Å²	206	138.5 Å²	138.5	90%	0.904	79%	0.786	S	S	*	*			trans	-61.2	117	167.7	-85.6	-94.4	0	0	0	108.7	K17 G21	K17-F19 PolarHBondContact O-N 2.97Å; K17-F19 VanDerWaalsContact O-N 3.09Å; F19-G21 PolarHBondContact O-N 2.85Å
20	A	25.4	Very low	26.3	Very low	104 Å²	104	137.8 Å²	137.8	86%	0.86	78%	0.778	S	S	*	*			trans	-71.6	81.4	165.2	0	0	0	0	0	108	R18 E22	R18-A20 PolarHBondContact O-N 2.76Å; A20-E22 PolarHBondContact O-N 2.82Å
21	G	25.9	Very low	26.1	Very low	66 Å²	66	137.3 Å²	137.3	68%	0.68	78%	0.775	S	S	*	*			trans	-84.3	104.3	171.4	0	0	0	0	0	109.5	F19 N23	F19-G21 PolarHBondContact O-N 2.85Å; G21-N23 PolarHBondContact O-N 3.2Å
22	E	25.9	Very low	26	Very low	190 Å²	190	136.2 Å²	136.2	89%	0.888	77%	0.774	S	S	*	*			trans	-56.9	93.4	165	-69.3	174.2	150	0	0	109.6	A20	A20-E22 PolarHBondContact O-N 2.82Å
23	N	29.3	Very low	25.7	Very low	159 Å²	159	138 Å²	138	85%	0.85	77%	0.773	S	S	*	*			trans	-170.9	59.7	161.5	-93	-27.4	0	0	0	108.7	G21 P25	G21-N23 PolarHBondContact O-N 3.2Å; N23-P25 WeakPolarHBondContact O-CD 3.44Å
24	S	25.9	Very low	25.9	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	78%	0.779	S	S	*	*			trans	-73	120.9	164.6	44.2	0	0	0	0	108.2	K26	S24-K26 PolarHBondContact O-N 3.16Å
25	P	28.3	Very low	26.3	Very low	119 Å²	119	145.4 Å²	145.4	77%	0.773	79%	0.793	S	S	*	*			trans	-60	132.9	171.1	-12.4	26.1	0	0	0	107.7	N23 A27	N23-P25 WeakPolarHBondContact O-CD 3.44Å; P25-A27 PolarHBondContact O-N 3.09Å
26	K	26.5	Very low	26.9	Very low	202 Å²	202	147.5 Å²	147.5	88%	0.878	80%	0.796	S	S	*	*			trans	-43.1	114.5	174	-75.8	179.8	173.7	-179.2	0	109.1	S24 V28	S24-K26 PolarHBondContact O-N 3.16Å; K26-V28 PolarHBondContact O-N 3.09Å
27	A	26.3	Very low	28.1	Very low	91 Å²	91	145.5 Å²	145.5	75%	0.752	78%	0.78	S	S	*	*			trans	-56	112.6	171.8	0	0	0	0	0	107.1	P25 E29	P25-A27 PolarHBondContact O-N 3.09Å; A27-E29 PolarHBondContact O-N 2.9Å
28	V	25.8	Very low	29.2	Very low	122 Å²	122	143.4 Å²	143.4	74%	0.739	78%	0.783	S	S	*	*			trans	-66	106.5	164.5	177.6	0	0	0	0	104.2	K26 T30	K26-V28 PolarHBondContact O-N 3.09Å; V28-T30 HydrophobicContact CG1-CG2 4.27Å; V28-T30 PolarHBondContact O-N 3.08Å
29	E	23.2	Very low	30.7	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.804	77%	0.77	S	S	*	*			trans	-61.4	83.4	167.7	-75.1	179.8	159.7	0	0	107.7	A27 V31	A27-E29 PolarHBondContact O-N 2.9Å; E29-V31 PolarHBondContact O-N 2.9Å
30	T	23.2	Very low	32.7	Very low	113 Å²	113	131 Å²	131	69%	0.693	74%	0.739	S	S	*	*			trans	-70.2	88.7	159.4	43.5	0	0	0	0	105.9	V28 V32	V28-T30 HydrophobicContact CG1-CG2 4.27Å; V28-T30 PolarHBondContact O-N 3.08Å; T30-V32 PolarHBondContact O-N 2.77Å
31	V	23.3	Very low	34.8	Very low	105 Å²	105	128.2 Å²	128.2	64%	0.636	71%	0.712	S	S	*	*			trans	-58.8	93.7	159.6	-179.3	0	0	0	0	105.2	E29 H33	E29-V31 PolarHBondContact O-N 2.9Å; V31-H33 PolarHBondContact O-N 3.3Å
32	V	24.2	Very low	37.1	Very low	120 Å²	120	129.5 Å²	129.5	73%	0.727	71%	0.71	S	S	*	*			trans	-65.9	98.8	166.8	179.6	0	0	0	0	103.8	T30 M34	T30-V32 PolarHBondContact O-N 2.77Å; V32-M34 PolarHBondContact O-N 2.98Å
33	H	23.6	Very low	40.2	Very low	157 Å²	157	121.1 Å²	121.1	73%	0.727	67%	0.672	S	S	*	*			trans	-49.3	111.9	166.2	-77.1	-80	0	0	0	106.4	V31 E35	V31-H33 PolarHBondContact O-N 3.3Å; H33-E35 VanDerWaalsContact C-N 3.31Å; H33-E35 PolarHBondContact O-N 3.23Å
34	M	32.6	Very low	43.3	Very low	183 Å²	183	113.9 Å²	113.9	90%	0.901	63%	0.633	S	S	*	*			trans	-60.9	106.2	163	-62.5	-129.6	-122	0	0	103.7	V32 D36	V32-M34 PolarHBondContact O-N 2.98Å; M34-D36 PolarHBondContact O-N 3.15Å
35	E	36.1	Very low	46.7	Very low	168 Å²	168	108.5 Å²	108.5	79%	0.785	60%	0.595	S	S	*	*			trans	-50	130.4	178.3	-74.3	-179.7	151.9	0	0	107.7	H33 D37	H33-E35 VanDerWaalsContact C-N 3.31Å; H33-E35 PolarHBondContact O-N 3.23Å; E35-D37 VanDerWaalsContact C-N 3.27Å; E35-D37 PolarHBondContact O-N 2.91Å
36	D	37.4	Very low	49.9	Very low	155 Å²	155	102.8 Å²	102.8	83%	0.829	56%	0.558	S	S	*	*			trans	-56.2	93.8	174.5	-96.3	-34.4	0	0	0	108.2	M34 T38	M34-D36 PolarHBondContact O-N 3.15Å; D36-T38 PolarHBondContact O-N 2.82Å
37	D	50.3	Low	53.2	Low	89 Å²	89	93.2 Å²	93.2	48%	0.476	52%	0.517	S	S	.	.			trans	-83.3	44	-165.5	-129.5	-3.3	0	0	0	110.6	E35 D39 R40	E35-D37 VanDerWaalsContact C-N 3.27Å; E35-D37 PolarHBondContact O-N 2.91Å; D37-D39 PolarHBondContact O-N 3.11Å; D37-D39 VanDerWaalsContact O-N 3.08Å; D37-R40 WeakPolarHBondContact O-CB 3.19Å; D37-R40 PolarHBondContact O-N 2.95Å
38	T	49.3	Very low	56.4	Low	138 Å²	138	88.9 Å²	88.9	85%	0.847	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12	-174.8	58.1	0	0	0	0	113.5	D36	D36-T38 PolarHBondContact O-N 2.82Å
39	D	57.2	Low	59.4	Low	116 Å²	116	84.3 Å²	84.3	62%	0.62	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	15.6	-177	-155.5	24.1	0	0	0	112.9	D37	D37-D39 PolarHBondContact O-N 3.11Å; D37-D39 VanDerWaalsContact O-N 3.08Å
40	R	66.8	Low	62.3	Low	70 Å²	70	76.5 Å²	76.5	26%	0.264	42%	0.416	S	S	.	.			trans	-86.8	140.5	-171.8	-167.3	167.8	169.8	-105.5	-20.5	112.6	D37 S42 R84	D37-R40 WeakPolarHBondContact O-CB 3.19Å; D37-R40 PolarHBondContact O-N 2.95Å; R40-S42 PolarHBondContact O-N 3.12Å; R40-R84 VanDerWaalsContact NH1-CG 3.34Å; R40-R84 PolarHBondContact NH1-O 3.02Å; R40-R84 PolarHBondContact NH2-O 2.84Å
41	P	69	Low	64.4	Low	44 Å²	44	72.2 Å²	72.2	29%	0.286	40%	0.395	S	S	.	.			trans	-57.3	138.1	172.9	-23.3	33.1	0	0	0	111.5	D43 A68 F233	P41-D43 VanDerWaalsContact C-N 3.25Å; P41-D43 PolarHBondContact O-N 3.13Å; P41-A68 HydrophobicContact CB-CB 3.76Å; P41-A68 HydrophobicContact CG-CB 3.65Å; P41-F233 HydrophobicContact CG-CD2 4.14Å; P41-F233 HydrophobicContact CG-CE2 4.13Å
42	S	75.1	Confident	66.5	Low	93 Å²	93	69.3 Å²	69.3	65%	0.65	38%	0.382	S	S	*	.	S	Bend	trans	-61.7	-36.2	178.5	58.5	0	0	0	0	112.3	R40	R40-S42 PolarHBondContact O-N 3.12Å
43	D	90.7	Very high	68.6	Low	14 Å²	14	66.6 Å²	66.6	8%	0.075	36%	0.361	C	S	.	.	S	Bend	trans	-114.5	111.6	179.3	-63.6	-25.6	0	0	0	109.7	P41 K86 C229 Q230	P41-D43 VanDerWaalsContact C-N 3.25Å; P41-D43 PolarHBondContact O-N 3.13Å; D43-K86 HydrophobicContact CB-CG 4.36Å; D43-K86 WeakPolarHBondContact OD1-CE 3.18Å; D43-C229 HydrophobicContact CB-CB 4.13Å; D43-C229 WeakPolarHBondContact OD2-CA 3.34Å; D43-Q230 PolarHBondContact OD2-N 3.11Å
44	L	94.4	Very high	71.1	Confident	7 Å²	7	62 Å²	62	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.1	179.8	-162.8	66.9	0	0	0	110.7	A68 D70 Y85 K86	L44-A68 VanDerWaalsContact CD1-C 3.43Å; L44-A68 HydrophobicContact CD1-CB 3.35Å; L44-D70 WeakPolarHBondContact CD2-OD2 3.5Å; L44-Y85 HydrophobicContact CB-CD1 4.01Å; L44-Y85 HydrophobicContact CB-CE1 4.37Å; L44-Y85 HydrophobicContact CD2-CD1 3.99Å; L44-Y85 HydrophobicContact CD2-CE1 3.47Å; L44-Y85 VanDerWaalsContact CD2-CE1 3.47Å; L44-Y85 HydrophobicContact CG-CD1 3.76Å; L44-Y85 HydrophobicContact CG-CE1 3.65Å; L44-Y85 CarbonylContact O-C 3.54Å; L44-Y85 WeakPolarHBondContact O-CA 3.49Å; L44-K86 PolarHBondContact O-N 3.37Å
45	I	97.1	Very high	73.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.1	177.2	-56.5	-64.9	0	0	0	109.8	I47 V62 V67 A68 T69 D70 Y85 K86 A87 I89 L223	I45-I47 HydrophobicContact CG2-CG1 4.43Å; I45-V62 HydrophobicContact CB-CG1 4.45Å; I45-V62 HydrophobicContact CG1-CG1 4.15Å; I45-V67 HydrophobicContact CD1-CG1 4.43Å; I45-V67 HydrophobicContact CG1-CG1 3.63Å; I45-A68 PolarHBondContact N-O 3.17Å; I45-T69 HydrophobicContact CB-CG2 4.19Å; I45-T69 CarbonylContact O-C 3.58Å; I45-T69 VanDerWaalsContact O-CA 3.29Å; I45-T69 WeakPolarHBondContact O-CA 3.33Å; I45-D70 PolarHBondContact O-N 3.48Å; I45-Y85 VanDerWaalsContact C-CD1 3.46Å; I45-K86 HydrophobicContact CD1-CB 4.48Å; I45-A87 HydrophobicContact CD1-CB 3.5Å; I45-I89 HydrophobicContact CG2-CD1 4.02Å; I45-I89 HydrophobicContact CG2-CG1 3.99Å; I45-L223 HydrophobicContact CD1-CD2 3.68Å; I45-L223 HydrophobicContact CG1-CD2 3.65Å
46	A	96.4	Very high	75.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.9	170.2	0	0	0	0	0	109.3	L72 L81 Y85 A87 I88 I89	A46-L72 HydrophobicContact CB-CD1 4.07Å; A46-L81 HydrophobicContact CB-CD2 4.13Å; A46-Y85 HydrophobicContact CB-CD1 3.64Å; A46-Y85 HydrophobicContact CB-CD2 3.82Å; A46-Y85 HydrophobicContact CB-CE1 3.91Å; A46-Y85 HydrophobicContact CB-CE2 4.09Å; A46-Y85 HydrophobicContact CB-CG 3.59Å; A46-Y85 VanDerWaalsContact N-CD1 3.29Å; A46-A87 PolarHBondContact N-O 3Å; A46-I88 HydrophobicContact CB-CG1 4.21Å; A46-I88 CarbonylContact O-C 3.59Å; A46-I88 WeakPolarHBondContact O-CA 3.39Å; A46-I89 PolarHBondContact O-N 2.72Å
47	I	95.6	Very high	78.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.5	170.1	-60.7	170.2	0	0	0	107.2	I45 D49 I58 D59 T69 D70 M71 L72 I89	I45-I47 HydrophobicContact CG2-CG1 4.43Å; I47-D49 PolarHBondContact O-N 3.14Å; I47-I58 HydrophobicContact CD1-CB 4.32Å; I47-I58 HydrophobicContact CD1-CG2 3.73Å; I47-I58 HydrophobicContact CG1-CG2 4.07Å; I47-I58 HydrophobicContact CG2-CB 4.48Å; I47-I58 HydrophobicContact CG2-CG2 4.25Å; I47-D59 HydrophobicContact CD1-CB 3.74Å; I47-T69 HydrophobicContact CD1-CG2 3.68Å; I47-T69 HydrophobicContact CG1-CG2 4.33Å; I47-D70 PolarHBondContact N-O 3.21Å; I47-M71 WeakPolarHBondContact O-CA 3.42Å; I47-L72 PolarHBondContact O-N 3.07Å; I47-I89 CarbonylContact C-O 3.3Å; I47-I89 WeakPolarHBondContact CA-O 3.48Å; I47-I89 HydrophobicContact CG1-CB 4.48Å
48	L	94.1	Very high	80.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	102.1	175.3	-60	-172.7	0	0	0	108.6	C50 L72 L74 I88 I89 I90 S91 I109	L48-C50 PolarHBondContact O-N 3.02Å; L48-L72 CarbonylContact C-O 3.58Å; L48-L72 WeakPolarHBondContact CA-O 3.42Å; L48-L72 HydrophobicContact CD2-CB 3.94Å; L48-L72 HydrophobicContact CD2-CD1 4.45Å; L48-L74 HydrophobicContact CB-CD1 3.88Å; L48-L74 HydrophobicContact CD1-CD1 4.1Å; L48-I88 HydrophobicContact CD1-CG2 3.63Å; L48-I88 HydrophobicContact CG-CG2 3.79Å; L48-I89 PolarHBondContact N-O 3.1Å; L48-I90 HydrophobicContact CB-CG1 4.33Å; L48-I90 HydrophobicContact CD1-CG1 4.3Å; L48-S91 PolarHBondContact O-N 3.41Å; L48-I109 HydrophobicContact CD1-CD1 3.56Å; L48-I109 HydrophobicContact CD1-CG1 4.37Å; L48-I109 HydrophobicContact CD1-CG2 4.42Å
49	D	88.8	Confident	82.1	Confident	27 Å²	27	29.7 Å²	29.7	14%	0.144	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.5	-178.7	-172.4	24.6	0	0	0	110.2	I47 G51 M71 L72 L74 S91	I47-D49 PolarHBondContact O-N 3.14Å; D49-G51 VanDerWaalsContact C-N 3.3Å; D49-G51 PolarHBondContact OD1-N 3.37Å; D49-M71 HydrophobicContact CB-CG 4.06Å; D49-M71 HydrophobicContact CB-SD 4.27Å; D49-L72 PolarHBondContact N-O 3.48Å; D49-L74 PolarHBondContact O-N 2.68Å; D49-S91 PolarHBondContact OD1-OG 3.06Å
50	C	82.9	Confident	83.7	Confident	7 Å²	7	26.6 Å²	26.6	5%	0.047	15%	0.149	C	C	.	.			trans	-90.6	2.1	173.7	-53.5	0	0	0	0	112.1	L48 I90 S91 S93 Y121	L48-C50 PolarHBondContact O-N 3.02Å; C50-I90 WeakPolarHBondContact SG-CG2 3.45Å; C50-S91 PolarHBondContact N-OG 3.02Å; C50-S91 PolarHBondContact SG-O 2.94Å; C50-S93 PolarHBondContact O-OG 3.05Å; C50-Y121 HydrophobicContact CB-CD1 3.78Å; C50-Y121 HydrophobicContact CB-CE1 4.13Å
51	G	68.7	Low	84.9	Confident	24 Å²	24	24.8 Å²	24.8	25%	0.247	14%	0.142	C	C	.	.	S	Bend	trans	110	-176.4	178.3	0	0	0	0	0	113.9	D49	D49-G51 VanDerWaalsContact C-N 3.3Å; D49-G51 PolarHBondContact OD1-N 3.37Å
52	A	66.4	Low	86.1	Confident	43 Å²	43	22.7 Å²	22.7	36%	0.355	13%	0.128	S	C	.	.	S	Bend	trans	61.9	-155.2	-172.4	0	0	0	0	0	113.8	Y54	A52-Y54 HydrophobicContact CB-CD2 4.1Å; A52-Y54 HydrophobicContact CB-CE2 4.31Å
53	Q	68.2	Low	86.9	Confident	63 Å²	63	18.5 Å²	18.5	29%	0.294	10%	0.098	S	C	.	.	S	Bend	trans	-95.8	-7.4	-170.3	-60.9	-61.9	-24.6	0	0	113.2	D535	Q53-D535 PolarHBondContact NE2-OD1 3.46Å
54	Y	75.5	Confident	87	Confident	61 Å²	61	20.4 Å²	20.4	24%	0.239	11%	0.106	C	C	.	.	H	α-helix	trans	-71.6	-39.5	-170.7	-59.8	-72.7	0	0	0	113.3	A52 K56 V57 I58 T168 H206 E208	A52-Y54 HydrophobicContact CB-CD2 4.1Å; A52-Y54 HydrophobicContact CB-CE2 4.31Å; Y54-K56 PolarHBondContact O-N 3.21Å; Y54-V57 PolarHBondContact O-N 2.94Å; Y54-I58 WeakPolarHBondContact O-CG1 3.42Å; Y54-I58 PolarHBondContact O-N 2.92Å; Y54-T168 PolarHBondContact OH-OG1 3.09Å; Y54-H206 AromaticContact CD1-CE1 3.51Å; Y54-H206 AromaticContact CD1-ND1 3.41Å; Y54-H206 WeakPolarHBondContact CD1-ND1 3.37Å; Y54-H206 AromaticContact CE1-CE1 3.31Å; Y54-H206 WeakPolarHBondContact CE1-CE1 3.4Å; Y54-H206 AromaticContact CE1-ND1 3.47Å; Y54-H206 WeakPolarHBondContact CE1-ND1 3.26Å; Y54-H206 AromaticContact CE1-NE2 3.86Å; Y54-H206 AromaticContact CG-CE1 3.96Å; Y54-H206 AromaticContact CZ-CE1 3.62Å; Y54-H206 AromaticContact CZ-NE2 3.95Å; Y54-E208 WeakPolarHBondContact CD1-OE1 3.27Å
55	G	83.9	Confident	87	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-55	-39.3	179.5	0	0	0	0	0	113.1	D59	G55-D59 WeakPolarHBondContact O-CB 3.42Å; G55-D59 PolarHBondContact O-N 3.35Å
56	K	83.5	Confident	86.8	Confident	23 Å²	23	22.3 Å²	22.3	10%	0.1	12%	0.12	C	C	.	.	H	α-helix	trans	-65.7	-39.1	176.2	-68.2	179.9	-180	-174.3	0	113	Y54 R60 M71 I386 E387 M661	Y54-K56 PolarHBondContact O-N 3.21Å; K56-R60 WeakPolarHBondContact O-CB 3.35Å; K56-R60 PolarHBondContact O-N 3.07Å; K56-M71 HydrophobicContact CG-CE 4.35Å; K56-I386 HydrophobicContact CD-CG2 4.3Å; K56-I386 HydrophobicContact CG-CG2 3.8Å; K56-E387 IonicContact NZ-OE2 3.83Å; K56-M661 HydrophobicContact CD-CE 3.8Å; K56-M661 VanDerWaalsContact NZ-CE 3.31Å
57	V	86.5	Confident	86.7	Confident	31 Å²	31	22.4 Å²	22.4	19%	0.188	12%	0.12	C	C	.	.	H	α-helix	trans	-71.6	-42.5	179.8	-174.7	0	0	0	0	110	Y54 D59 R60 R61 E208	Y54-V57 PolarHBondContact O-N 2.94Å; V57-D59 PolarHBondContact O-N 3.17Å; V57-R60 PolarHBondContact O-N 3.13Å; V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.19Å; V57-E208 HydrophobicContact CB-CB 4.44Å; V57-E208 HydrophobicContact CB-CG 3.94Å; V57-E208 HydrophobicContact CG1-CB 3.91Å; V57-E208 HydrophobicContact CG1-CG 3.72Å; V57-E208 WeakPolarHBondContact CG1-O 3.41Å
58	I	91.9	Very high	86.6	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-49.2	173.6	-62.3	165	0	0	0	110.2	I47 Y54 R60 R61 V62 I89 I119 E208	I47-I58 HydrophobicContact CD1-CB 4.32Å; I47-I58 HydrophobicContact CD1-CG2 3.73Å; I47-I58 HydrophobicContact CG1-CG2 4.07Å; I47-I58 HydrophobicContact CG2-CB 4.48Å; I47-I58 HydrophobicContact CG2-CG2 4.25Å; Y54-I58 WeakPolarHBondContact O-CG1 3.42Å; Y54-I58 PolarHBondContact O-N 2.92Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 2.95Å; I58-R61 PolarHBondContact O-N 3.46Å; I58-R61 VanDerWaalsContact O-N 3.12Å; I58-V62 HydrophobicContact CG2-CG2 4.26Å; I58-V62 WeakPolarHBondContact O-CG2 3.47Å; I58-V62 PolarHBondContact O-N 3.33Å; I58-I89 HydrophobicContact CD1-CG2 4.27Å; I58-I89 HydrophobicContact CG2-CB 4.36Å; I58-I89 HydrophobicContact CG2-CD1 3.99Å; I58-I89 HydrophobicContact CG2-CG2 3.85Å; I58-I119 HydrophobicContact CD1-CD1 3.87Å; I58-I119 HydrophobicContact CG1-CD1 4.15Å; I58-E208 HydrophobicContact CG1-CB 3.8Å; I58-E208 HydrophobicContact CG1-CG 3.78Å
59	D	91.8	Very high	86.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-54.6	-46.6	178	-178.6	83.5	0	0	0	111.5	I47 G55 V57 R63 T69 M71 R382 H427	I47-D59 HydrophobicContact CD1-CB 3.74Å; G55-D59 WeakPolarHBondContact O-CB 3.42Å; G55-D59 PolarHBondContact O-N 3.35Å; V57-D59 PolarHBondContact O-N 3.17Å; D59-R63 WeakPolarHBondContact O-CB 3.44Å; D59-R63 WeakPolarHBondContact O-CD 3.4Å; D59-R63 WeakPolarHBondContact O-CG 3.36Å; D59-R63 PolarHBondContact O-N 3.47Å; D59-T69 WeakPolarHBondContact OD1-CB 3.16Å; D59-T69 PolarHBondContact OD1-OG1 2.86Å; D59-M71 HydrophobicContact CB-CE 3.77Å; D59-R382 IonicContact OD1-CZ 3.61Å; D59-R382 IonicContact OD1-NE 3.71Å; D59-R382 PolarHBondContact OD1-NE 2.69Å; D59-R382 IonicContact OD1-NH2 3.12Å; D59-R382 PolarHBondContact OD1-NH2 3.38Å; D59-R382 IonicContact OD2-CZ 2.71Å; D59-R382 IonicContact OD2-NE 3.36Å; D59-R382 PolarHBondContact OD2-NE 2.96Å; D59-R382 IonicContact OD2-NH2 2.83Å; D59-H427 IonicContact OD2-CD2 2.75Å; D59-H427 IonicContact OD2-CE1 3.63Å; D59-H427 PolarHBondContact OD2-CE1 3.19Å; D59-H427 IonicContact OD2-NE2 3.47Å; D59-H427 PolarHBondContact OD2-NE2 3.35Å
60	R	90.1	Very high	86.9	Confident	52 Å²	52	23.1 Å²	23.1	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-48.9	175.4	-176.2	-179	173.8	-146	-10.6	112.2	K56 V57 I58 V62 R63 E64 D429	K56-R60 WeakPolarHBondContact O-CB 3.35Å; K56-R60 PolarHBondContact O-N 3.07Å; V57-R60 PolarHBondContact O-N 3.13Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 2.95Å; R60-V62 PolarHBondContact O-N 3.02Å; R60-R63 PolarHBondContact O-N 3.36Å; R60-E64 IonicContact CZ-OE1 3.93Å; R60-E64 IonicContact NE-OE1 3.77Å; R60-E64 PolarHBondContact NE-OE1 3.47Å; R60-E64 IonicContact NH2-OE1 3.94Å; R60-E64 PolarHBondContact NH2-OE1 2.98Å; R60-E64 WeakPolarHBondContact O-CG 3.33Å; R60-E64 PolarHBondContact O-N 2.71Å; R60-D429 IonicContact CZ-OD2 3.56Å; R60-D429 VanDerWaalsContact CZ-OD2 3.29Å; R60-D429 IonicContact NE-OD1 3.28Å; R60-D429 IonicContact NE-OD2 3.36Å; R60-D429 PolarHBondContact NE-OD2 3.49Å; R60-D429 IonicContact NH2-OD2 2.97Å; R60-D429 PolarHBondContact NH2-OD2 3.1Å
61	R	91.6	Very high	87.2	Confident	31 Å²	31	24.6 Å²	24.6	12%	0.117	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-39.1	-176.4	-68.9	-52.3	-172	176.4	1.4	114.1	V57 I58 R63 E64 L65 E208 D210 L219	V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.19Å; I58-R61 PolarHBondContact O-N 3.46Å; I58-R61 VanDerWaalsContact O-N 3.12Å; R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 2.59Å; R61-E64 VanDerWaalsContact CD-OE2 3.25Å; R61-E64 WeakPolarHBondContact CD-OE2 3.3Å; R61-E64 IonicContact CZ-OE2 2.72Å; R61-E64 IonicContact NE-OE2 2.84Å; R61-E64 IonicContact NH1-OE1 2.69Å; R61-E64 IonicContact NH1-OE2 3.99Å; R61-E64 PolarHBondContact NH1-OE2 3.24Å; R61-E64 PolarHBondContact O-N 2.68Å; R61-L65 WeakPolarHBondContact O-CG 3.32Å; R61-L65 PolarHBondContact O-N 3.14Å; R61-E208 HydrophobicContact CG-CB 4.16Å; R61-E208 VanDerWaalsContact CG-O 3.26Å; R61-E208 WeakPolarHBondContact CG-O 3.45Å; R61-E208 PolarHBondContact NE-O 2.89Å; R61-D210 IonicContact CZ-OD1 3.51Å; R61-D210 IonicContact NH1-OD1 3.8Å; R61-D210 IonicContact NH2-OD1 2.87Å; R61-D210 PolarHBondContact NH2-OD1 3.31Å; R61-D210 IonicContact NH2-OD2 3.39Å; R61-D210 PolarHBondContact NH2-OD2 2.91Å; R61-L219 HydrophobicContact CB-CD1 3.59Å; R61-L219 HydrophobicContact CG-CD1 4.22Å
62	V	94.9	Very high	88.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-37.7	176.5	175.2	0	0	0	0	110.3	I45 I58 R60 L65 V67 T69 I89 L223	I45-V62 HydrophobicContact CB-CG1 4.45Å; I45-V62 HydrophobicContact CG1-CG1 4.15Å; I58-V62 HydrophobicContact CG2-CG2 4.26Å; I58-V62 WeakPolarHBondContact O-CG2 3.47Å; I58-V62 PolarHBondContact O-N 3.33Å; R60-V62 PolarHBondContact O-N 3.02Å; V62-L65 CarbonylContact O-C 3.38Å; V62-L65 WeakPolarHBondContact O-CA 3.16Å; V62-L65 WeakPolarHBondContact O-CB 3.25Å; V62-L65 PolarHBondContact O-N 3.49Å; V62-L65 VanDerWaalsContact O-N 3.12Å; V62-V67 HydrophobicContact CG1-CB 3.86Å; V62-V67 HydrophobicContact CG1-CG1 4.08Å; V62-V67 PolarHBondContact O-N 3.46Å; V62-T69 HydrophobicContact CB-CG2 3.6Å; V62-T69 HydrophobicContact CG1-CG2 3.33Å; V62-T69 HydrophobicContact CG2-CG2 4.34Å; V62-I89 HydrophobicContact CG2-CD1 3.8Å; V62-L223 HydrophobicContact CB-CD1 4.3Å; V62-L223 HydrophobicContact CG1-CD1 3.84Å; V62-L223 HydrophobicContact CG1-CD2 3.96Å; V62-L223 HydrophobicContact CG2-CD1 4.23Å; V62-L223 HydrophobicContact CG2-CD2 4.47Å
63	R	92.9	Very high	89.4	Confident	6 Å²	6	26 Å²	26	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-75.1	-32.7	179	-63.7	173.3	99.3	-121.3	4.9	113.3	D59 R60 R61 L65 C66 V67 T69 R238 D425 H427 E430	D59-R63 WeakPolarHBondContact O-CB 3.44Å; D59-R63 WeakPolarHBondContact O-CD 3.4Å; D59-R63 WeakPolarHBondContact O-CG 3.36Å; D59-R63 PolarHBondContact O-N 3.47Å; R60-R63 PolarHBondContact O-N 3.36Å; R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 2.59Å; R63-L65 PolarHBondContact O-N 2.79Å; R63-C66 WeakPolarHBondContact O-CA 3.29Å; R63-C66 PolarHBondContact O-N 2.98Å; R63-V67 WeakPolarHBondContact CA-O 3.14Å; R63-V67 WeakPolarHBondContact CG-O 3.31Å; R63-T69 WeakPolarHBondContact CD-OG1 3.45Å; R63-T69 HydrophobicContact CG-CG2 4.3Å; R63-R238 VanDerWaalsContact NH1-NH2 3.13Å; R63-R238 VanDerWaalsContact NH2-CZ 3.29Å; R63-D425 IonicContact CZ-OD1 3.14Å; R63-D425 PolarHBondContact NH1-O 2.67Å; R63-D425 PolarHBondContact NH2-O 3.04Å; R63-D425 IonicContact NH2-OD1 3.76Å; R63-D425 PolarHBondContact NH2-OD1 3.02Å; R63-D425 IonicContact NH2-OD2 3.65Å; R63-D425 PolarHBondContact NH2-OD2 3.32Å; R63-H427 PolarHBondContact NH1-CD2 2.67Å; R63-E430 IonicContact CZ-OE1 2.69Å; R63-E430 IonicContact CZ-OE2 3.8Å; R63-E430 VanDerWaalsContact NH1-CD 3.26Å; R63-E430 IonicContact NH1-OE1 2.71Å; R63-E430 PolarHBondContact NH1-OE1 2.87Å; R63-E430 IonicContact NH1-OE2 3.48Å; R63-E430 PolarHBondContact NH1-OE2 3.28Å
64	E	91.1	Very high	90.5	Very high	53 Å²	53	23.3 Å²	23.3	25%	0.248	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-24.1	166.8	-75.4	175.9	-173.7	0	0	112.1	R60 R61 C66	R60-E64 IonicContact CZ-OE1 3.93Å; R60-E64 IonicContact NE-OE1 3.77Å; R60-E64 PolarHBondContact NE-OE1 3.47Å; R60-E64 IonicContact NH2-OE1 3.94Å; R60-E64 PolarHBondContact NH2-OE1 2.98Å; R60-E64 WeakPolarHBondContact O-CG 3.33Å; R60-E64 PolarHBondContact O-N 2.71Å; R61-E64 VanDerWaalsContact CD-OE2 3.25Å; R61-E64 WeakPolarHBondContact CD-OE2 3.3Å; R61-E64 IonicContact CZ-OE2 2.72Å; R61-E64 IonicContact NE-OE2 2.84Å; R61-E64 IonicContact NH1-OE1 2.69Å; R61-E64 IonicContact NH1-OE2 3.99Å; R61-E64 PolarHBondContact NH1-OE2 3.24Å; R61-E64 PolarHBondContact O-N 2.68Å; E64-C66 VanDerWaalsContact C-N 3.29Å
65	L	94.5	Very high	91.2	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.047	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	14.1	173.8	-63	175.7	0	0	0	113.1	R61 V62 R63 V67 K216 L219 Q220 L223 F224	R61-L65 WeakPolarHBondContact O-CG 3.32Å; R61-L65 PolarHBondContact O-N 3.14Å; V62-L65 CarbonylContact O-C 3.38Å; V62-L65 WeakPolarHBondContact O-CA 3.16Å; V62-L65 WeakPolarHBondContact O-CB 3.25Å; V62-L65 PolarHBondContact O-N 3.49Å; V62-L65 VanDerWaalsContact O-N 3.12Å; R63-L65 PolarHBondContact O-N 2.79Å; L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.96Å; L65-K216 HydrophobicContact CD2-CD 4.32Å; L65-K216 HydrophobicContact CD2-CG 3.93Å; L65-L219 HydrophobicContact CD1-CB 3.9Å; L65-Q220 HydrophobicContact CD1-CB 4.42Å; L65-Q220 HydrophobicContact CD1-CG 3.59Å; L65-Q220 HydrophobicContact CD2-CG 3.35Å; L65-Q220 VanDerWaalsContact CD2-NE2 3.28Å; L65-Q220 HydrophobicContact CG-CG 4.08Å; L65-L223 HydrophobicContact CB-CD1 4.14Å; L65-L223 HydrophobicContact CD1-CD1 3.7Å; L65-F224 HydrophobicContact CB-CZ 4.12Å; L65-F224 WeakPolarHBondContact O-CZ 3.33Å
66	C	93.9	Very high	91.6	Very high	39 Å²	39	24.4 Å²	24.4	26%	0.264	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	36	178.1	-55.2	0	0	0	0	113.3	R63 E64 P231 T232 F233 T234	R63-C66 WeakPolarHBondContact O-CA 3.29Å; R63-C66 PolarHBondContact O-N 2.98Å; E64-C66 VanDerWaalsContact C-N 3.29Å; C66-P231 HydrophobicContact CB-CB 3.81Å; C66-P231 CarbonylContact O-C 3.33Å; C66-P231 VanDerWaalsContact O-C 3.27Å; C66-P231 VanDerWaalsContact O-CA 3.28Å; C66-P231 WeakPolarHBondContact O-CA 3.26Å; C66-T232 PolarHBondContact O-N 3.14Å; C66-F233 WeakPolarHBondContact CA-O 3.27Å; C66-F233 WeakPolarHBondContact O-CA 3.17Å; C66-F233 VanDerWaalsContact O-CB 3.22Å; C66-F233 WeakPolarHBondContact O-CB 3.47Å; C66-F233 PolarHBondContact O-N 2.97Å; C66-T234 HydrophobicContact CB-CG2 4.48Å
67	V	94.8	Very high	92.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.145	C	C	.	.			trans	-119.1	137.2	171.8	-178.1	0	0	0	0	109.4	I45 V62 R63 L65 L223 F224 C229	I45-V67 HydrophobicContact CD1-CG1 4.43Å; I45-V67 HydrophobicContact CG1-CG1 3.63Å; V62-V67 HydrophobicContact CG1-CB 3.86Å; V62-V67 HydrophobicContact CG1-CG1 4.08Å; V62-V67 PolarHBondContact O-N 3.46Å; R63-V67 WeakPolarHBondContact CA-O 3.14Å; R63-V67 WeakPolarHBondContact CG-O 3.31Å; L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.96Å; V67-L223 HydrophobicContact CG2-CD1 4.35Å; V67-F224 HydrophobicContact CG2-CE1 3.72Å; V67-C229 HydrophobicContact CG1-CB 4.23Å; V67-C229 HydrophobicContact CG2-CB 4.1Å
68	A	93.4	Very high	92.4	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.017	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	154.2	179.8	0	0	0	0	0	111.8	P41 L44 I45 F233	P41-A68 HydrophobicContact CB-CB 3.76Å; P41-A68 HydrophobicContact CG-CB 3.65Å; L44-A68 VanDerWaalsContact CD1-C 3.43Å; L44-A68 HydrophobicContact CD1-CB 3.35Å; I45-A68 PolarHBondContact N-O 3.17Å; A68-F233 HydrophobicContact CB-CB 4.31Å; A68-F233 HydrophobicContact CB-CD1 3.97Å; A68-F233 HydrophobicContact CB-CD2 3.7Å; A68-F233 HydrophobicContact CB-CE1 4.15Å; A68-F233 HydrophobicContact CB-CE2 3.88Å; A68-F233 HydrophobicContact CB-CG 3.74Å; A68-F233 HydrophobicContact CB-CZ 4.1Å
69	T	94.9	Very high	92.6	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.6	-178.3	49.6	0	0	0	0	111.9	I45 I47 D59 V62 R63 R382	I45-T69 HydrophobicContact CB-CG2 4.19Å; I45-T69 CarbonylContact O-C 3.58Å; I45-T69 VanDerWaalsContact O-CA 3.29Å; I45-T69 WeakPolarHBondContact O-CA 3.33Å; I47-T69 HydrophobicContact CD1-CG2 3.68Å; I47-T69 HydrophobicContact CG1-CG2 4.33Å; D59-T69 WeakPolarHBondContact OD1-CB 3.16Å; D59-T69 PolarHBondContact OD1-OG1 2.86Å; V62-T69 HydrophobicContact CB-CG2 3.6Å; V62-T69 HydrophobicContact CG1-CG2 3.33Å; V62-T69 HydrophobicContact CG2-CG2 4.34Å; R63-T69 WeakPolarHBondContact CD-OG1 3.45Å; R63-T69 HydrophobicContact CG-CG2 4.3Å; T69-R382 PolarHBondContact O-NH2 3.48Å; T69-R382 PolarHBondContact OG1-NH2 3.09Å
70	D	92.8	Very high	92.6	Very high	37 Å²	37	36.2 Å²	36.2	20%	0.198	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.2	157.8	-71.9	-26.8	0	0	0	109.1	L44 I45 I47 L72 R84 Y85	L44-D70 WeakPolarHBondContact CD2-OD2 3.5Å; I45-D70 PolarHBondContact O-N 3.48Å; I47-D70 PolarHBondContact N-O 3.21Å; D70-L72 HydrophobicContact CB-CD2 4.41Å; D70-L72 HydrophobicContact CB-CG 4.26Å; D70-R84 IonicContact OD2-CZ 3.94Å; D70-R84 IonicContact OD2-NE 3.31Å; D70-R84 IonicContact OD2-NH2 3.16Å; D70-R84 PolarHBondContact OD2-NH2 2.95Å; D70-Y85 HydrophobicContact CB-CE1 3.77Å; D70-Y85 WeakPolarHBondContact CB-OH 3.25Å; D70-Y85 WeakPolarHBondContact OD2-CE1 3.28Å; D70-Y85 PolarHBondContact OD2-OH 3.45Å
71	M	90.1	Very high	92.7	Very high	39 Å²	39	33.7 Å²	33.7	19%	0.192	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.8	170.6	-163.4	178.2	-43.8	0	0	109.5	I47 D49 K56 D59 I386	I47-M71 WeakPolarHBondContact O-CA 3.42Å; D49-M71 HydrophobicContact CB-CG 4.06Å; D49-M71 HydrophobicContact CB-SD 4.27Å; K56-M71 HydrophobicContact CG-CE 4.35Å; D59-M71 HydrophobicContact CB-CE 3.77Å; M71-I386 HydrophobicContact CE-CB 4.24Å; M71-I386 HydrophobicContact CE-CD1 3.31Å; M71-I386 HydrophobicContact CE-CG1 3.66Å; M71-I386 HydrophobicContact CE-CG2 3.55Å; M71-I386 HydrophobicContact SD-CB 4.43Å; M71-I386 HydrophobicContact SD-CG1 4.28Å; M71-I386 HydrophobicContact SD-CG2 3.3Å; M71-I386 WeakPolarHBondContact SD-CG2 3.44Å
72	L	91.9	Very high	92.7	Very high	36 Å²	36	36.2 Å²	36.2	19%	0.188	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.9	-171.8	-60.4	172.8	0	0	0	109.5	A46 I47 L48 D49 D70 T76 L81 Y85	A46-L72 HydrophobicContact CB-CD1 4.07Å; I47-L72 PolarHBondContact O-N 3.07Å; L48-L72 CarbonylContact C-O 3.58Å; L48-L72 WeakPolarHBondContact CA-O 3.42Å; L48-L72 HydrophobicContact CD2-CB 3.94Å; L48-L72 HydrophobicContact CD2-CD1 4.45Å; D49-L72 PolarHBondContact N-O 3.48Å; D70-L72 HydrophobicContact CB-CD2 4.41Å; D70-L72 HydrophobicContact CB-CG 4.26Å; L72-T76 HydrophobicContact CD1-CG2 4.28Å; L72-L81 HydrophobicContact CD1-CD2 3.6Å; L72-Y85 HydrophobicContact CD1-CE2 3.98Å
73	P	90	Very high	92.4	Very high	61 Å²	61	40.4 Å²	40.4	40%	0.396	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	146.3	170.7	-20.8	32.2	0	0	0	111	S75 T76	P73-S75 PolarHBondContact O-N 2.94Å; P73-S75 VanDerWaalsContact O-N 3.09Å; P73-T76 VanDerWaalsContact O-CB 3.3Å; P73-T76 WeakPolarHBondContact O-CB 3.01Å; P73-T76 PolarHBondContact O-N 2.71Å; P73-T76 PolarHBondContact O-OG1 3.22Å
74	L	90.1	Very high	92.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.1	173.5	-174.7	67.2	0	0	0	113.3	L48 D49 T76 I90 P103 V104 Y121 L125	L48-L74 HydrophobicContact CB-CD1 3.88Å; L48-L74 HydrophobicContact CD1-CD1 4.1Å; D49-L74 PolarHBondContact O-N 2.68Å; L74-T76 PolarHBondContact O-N 3.08Å; L74-T76 VanDerWaalsContact O-N 3.14Å; L74-I90 HydrophobicContact CD1-CG2 3.89Å; L74-P103 HydrophobicContact CB-CB 4.42Å; L74-P103 HydrophobicContact CD2-CB 3.64Å; L74-V104 CarbonylContact C-O 3.56Å; L74-Y121 HydrophobicContact CD2-CE1 4.23Å; L74-L125 HydrophobicContact CD1-CD2 4.3Å; L74-L125 HydrophobicContact CD2-CD2 4.15Å
75	S	90.1	Very high	92.6	Very high	71 Å²	71	42.9 Å²	42.9	50%	0.497	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	3.7	178	59.7	0	0	0	0	114.7	P73 P77 V104	P73-S75 PolarHBondContact O-N 2.94Å; P73-S75 VanDerWaalsContact O-N 3.09Å; S75-P77 WeakPolarHBondContact O-CD 3.42Å; S75-V104 WeakPolarHBondContact CA-O 3.31Å; S75-V104 WeakPolarHBondContact CB-O 3.33Å; S75-V104 PolarHBondContact N-O 2.73Å; S75-V104 VanDerWaalsContact N-O 3.17Å
76	T	92.3	Very high	92.6	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.08	27%	0.267	C	S	.	.			trans	-62.9	121.6	179.6	-59.9	0	0	0	0	110.6	L72 P73 L74 K80 L81	L72-T76 HydrophobicContact CD1-CG2 4.28Å; P73-T76 VanDerWaalsContact O-CB 3.3Å; P73-T76 WeakPolarHBondContact O-CB 3.01Å; P73-T76 PolarHBondContact O-N 2.71Å; P73-T76 PolarHBondContact O-OG1 3.22Å; L74-T76 PolarHBondContact O-N 3.08Å; L74-T76 VanDerWaalsContact O-N 3.14Å; T76-K80 HydrophobicContact CG2-CB 4.04Å; T76-K80 HydrophobicContact CG2-CD 4.33Å; T76-L81 HydrophobicContact CG2-CD2 3.94Å; T76-L81 HydrophobicContact CG2-CG 4.38Å
77	P	93.8	Very high	92.8	Very high	53 Å²	53	45.2 Å²	45.2	34%	0.344	25%	0.254	S	S	.	.			trans	-62.9	143.6	179.1	-22.8	33.5	0	0	0	112.1	S75 D79 K80	S75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-D79 PolarHBondContact O-N 3.36Å; P77-D79 VanDerWaalsContact O-N 3.13Å; P77-K80 WeakPolarHBondContact O-CB 3.17Å; P77-K80 PolarHBondContact O-N 3.09Å
78	V	94.4	Very high	92.9	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.7	-179.3	169.1	0	0	0	0	113.4	K80 L81 L82 D106 R108 I109 C112	V78-K80 PolarHBondContact O-N 2.77Å; V78-K80 VanDerWaalsContact O-N 3.15Å; V78-L81 WeakPolarHBondContact O-CA 3.42Å; V78-L81 WeakPolarHBondContact O-CB 3.34Å; V78-L81 PolarHBondContact O-N 3.07Å; V78-L82 HydrophobicContact CG1-CD1 3.75Å; V78-L82 HydrophobicContact CG1-CD2 4.44Å; V78-L82 HydrophobicContact CG1-CG 3.72Å; V78-L82 PolarHBondContact O-N 3.02Å; V78-D106 HydrophobicContact CG2-CB 4.12Å; V78-D106 PolarHBondContact N-OD2 3.35Å; V78-R108 HydrophobicContact CB-CB 4.09Å; V78-R108 HydrophobicContact CG1-CB 4.3Å; V78-R108 HydrophobicContact CG2-CB 3.68Å; V78-I109 HydrophobicContact CG2-CB 4.18Å; V78-I109 HydrophobicContact CG2-CG1 3.48Å; V78-I109 VanDerWaalsContact CG2-CG1 3.48Å; V78-I109 VanDerWaalsContact CG2-N 3.27Å; V78-C112 HydrophobicContact CG1-CB 3.68Å
79	D	94.4	Very high	93.2	Very high	103 Å²	103	45.1 Å²	45.1	55%	0.551	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-62	-23.3	178.4	-51.3	-57.8	0	0	0	112.2	P77 R108	P77-D79 PolarHBondContact O-N 3.36Å; P77-D79 VanDerWaalsContact O-N 3.13Å; D79-R108 IonicContact OD1-CZ 2.9Å; D79-R108 IonicContact OD1-NH1 3.61Å; D79-R108 PolarHBondContact OD1-NH1 3.46Å; D79-R108 VanDerWaalsContact OD1-NH1 3.16Å; D79-R108 IonicContact OD1-NH2 3.92Å; D79-R108 IonicContact OD2-CZ 3.46Å; D79-R108 IonicContact OD2-NH1 3.79Å; D79-R108 PolarHBondContact OD2-NH1 3.31Å; D79-R108 IonicContact OD2-NH2 3.24Å; D79-R108 PolarHBondContact OD2-NH2 3.05Å
80	K	92.5	Very high	93.2	Very high	143 Å²	143	45 Å²	45	62%	0.622	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-84.5	-13	172.1	-64.1	-170.5	177	-176.6	0	113.5	T76 P77 V78 R84	T76-K80 HydrophobicContact CG2-CB 4.04Å; T76-K80 HydrophobicContact CG2-CD 4.33Å; P77-K80 WeakPolarHBondContact O-CB 3.17Å; P77-K80 PolarHBondContact O-N 3.09Å; V78-K80 PolarHBondContact O-N 2.77Å; V78-K80 VanDerWaalsContact O-N 3.15Å; K80-R84 WeakPolarHBondContact O-CD 3.42Å
81	L	93.1	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-36.8	-177.4	-54.3	-179.7	0	0	0	112.3	A46 L72 T76 V78 R84 Y85 I88 I109 I114	A46-L81 HydrophobicContact CB-CD2 4.13Å; L72-L81 HydrophobicContact CD1-CD2 3.6Å; T76-L81 HydrophobicContact CG2-CD2 3.94Å; T76-L81 HydrophobicContact CG2-CG 4.38Å; V78-L81 WeakPolarHBondContact O-CA 3.42Å; V78-L81 WeakPolarHBondContact O-CB 3.34Å; V78-L81 PolarHBondContact O-N 3.07Å; L81-R84 WeakPolarHBondContact O-CB 3.25Å; L81-R84 PolarHBondContact O-N 3.18Å; L81-R84 VanDerWaalsContact O-N 3.11Å; L81-Y85 HydrophobicContact CB-CD2 4.12Å; L81-Y85 HydrophobicContact CD2-CD2 3.79Å; L81-Y85 HydrophobicContact CD2-CE2 3.63Å; L81-Y85 PolarHBondContact O-N 2.84Å; L81-Y85 VanDerWaalsContact O-N 3.12Å; L81-I88 HydrophobicContact CD1-CD1 3.8Å; L81-I109 HydrophobicContact CD1-CG1 4.2Å; L81-I114 HydrophobicContact CB-CD1 4.47Å
82	L	91.9	Very high	93	Very high	84 Å²	84	41.3 Å²	41.3	44%	0.44	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	135	-177.9	-79.2	173.2	0	0	0	112.4	V78 R84 C112 I114	V78-L82 HydrophobicContact CG1-CD1 3.75Å; V78-L82 HydrophobicContact CG1-CD2 4.44Å; V78-L82 HydrophobicContact CG1-CG 3.72Å; V78-L82 PolarHBondContact O-N 3.02Å; L82-R84 PolarHBondContact O-N 3.16Å; L82-C112 HydrophobicContact CD2-CB 3.85Å; L82-C112 HydrophobicContact CG-CB 4.5Å; L82-I114 HydrophobicContact CD2-CD1 4.36Å
83	G	87.6	Confident	92.5	Very high	88 Å²	88	40.3 Å²	40.3	91%	0.907	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	-13.7	-175.7	0	0	0	0	0	114.5
84	R	91.7	Very high	91.7	Very high	94 Å²	94	41.8 Å²	41.8	36%	0.355	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-51.9	-177.7	-168.6	174.7	166.4	130.6	-1.5	110.4	R40 D70 K80 L81 L82	R40-R84 VanDerWaalsContact NH1-CG 3.34Å; R40-R84 PolarHBondContact NH1-O 3.02Å; R40-R84 PolarHBondContact NH2-O 2.84Å; D70-R84 IonicContact OD2-CZ 3.94Å; D70-R84 IonicContact OD2-NE 3.31Å; D70-R84 IonicContact OD2-NH2 3.16Å; D70-R84 PolarHBondContact OD2-NH2 2.95Å; K80-R84 WeakPolarHBondContact O-CD 3.42Å; L81-R84 WeakPolarHBondContact O-CB 3.25Å; L81-R84 PolarHBondContact O-N 3.18Å; L81-R84 VanDerWaalsContact O-N 3.11Å; L82-R84 PolarHBondContact O-N 3.16Å
85	Y	95.9	Very high	91	Very high	16 Å²	16	44.4 Å²	44.4	6%	0.063	25%	0.251	C	S	.	.			trans	-110.2	146.9	-170.4	-58.2	-84.8	0	0	0	113.6	L44 I45 A46 D70 L72 L81	L44-Y85 HydrophobicContact CB-CD1 4.01Å; L44-Y85 HydrophobicContact CB-CE1 4.37Å; L44-Y85 HydrophobicContact CD2-CD1 3.99Å; L44-Y85 HydrophobicContact CD2-CE1 3.47Å; L44-Y85 VanDerWaalsContact CD2-CE1 3.47Å; L44-Y85 HydrophobicContact CG-CD1 3.76Å; L44-Y85 HydrophobicContact CG-CE1 3.65Å; L44-Y85 CarbonylContact O-C 3.54Å; L44-Y85 WeakPolarHBondContact O-CA 3.49Å; I45-Y85 VanDerWaalsContact C-CD1 3.46Å; A46-Y85 HydrophobicContact CB-CD1 3.64Å; A46-Y85 HydrophobicContact CB-CD2 3.82Å; A46-Y85 HydrophobicContact CB-CE1 3.91Å; A46-Y85 HydrophobicContact CB-CE2 4.09Å; A46-Y85 HydrophobicContact CB-CG 3.59Å; A46-Y85 VanDerWaalsContact N-CD1 3.29Å; D70-Y85 HydrophobicContact CB-CE1 3.77Å; D70-Y85 WeakPolarHBondContact CB-OH 3.25Å; D70-Y85 WeakPolarHBondContact OD2-CE1 3.28Å; D70-Y85 PolarHBondContact OD2-OH 3.45Å; L72-Y85 HydrophobicContact CD1-CE2 3.98Å; L81-Y85 HydrophobicContact CB-CD2 4.12Å; L81-Y85 HydrophobicContact CD2-CD2 3.79Å; L81-Y85 HydrophobicContact CD2-CE2 3.63Å; L81-Y85 PolarHBondContact O-N 2.84Å; L81-Y85 VanDerWaalsContact O-N 3.12Å
86	K	95.7	Very high	90.5	Very high	98 Å²	98	42 Å²	42	43%	0.426	23%	0.234	S	C	.	.	S	Bend	trans	-81.3	-30.3	175.4	-73.8	-70	-170.6	174.3	0	113.2	D43 L44 I45 P115	D43-K86 HydrophobicContact CB-CG 4.36Å; D43-K86 WeakPolarHBondContact OD1-CE 3.18Å; L44-K86 PolarHBondContact O-N 3.37Å; I45-K86 HydrophobicContact CD1-CB 4.48Å; K86-P115 WeakPolarHBondContact O-CD 3.46Å
87	A	97.7	Very high	89.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	162.6	178.3	0	0	0	0	0	110.8	I45 A46 I114 P115 F222 A227	I45-A87 HydrophobicContact CD1-CB 3.5Å; A46-A87 PolarHBondContact N-O 3Å; A87-I114 VanDerWaalsContact CA-CG2 3.46Å; A87-P115 WeakPolarHBondContact CA-O 3.37Å; A87-P115 HydrophobicContact CB-CB 4.4Å; A87-F222 HydrophobicContact CB-CE1 3.81Å; A87-F222 HydrophobicContact CB-CZ 3.76Å; A87-A227 HydrophobicContact CB-CB 3.45Å; A87-A227 VanDerWaalsContact CB-CB 3.45Å
88	I	97.9	Very high	89.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.9	176.7	-64.3	166.7	0	0	0	108.9	A46 L48 L81 I90 I109 I114 P115 V116 L117	A46-I88 HydrophobicContact CB-CG1 4.21Å; A46-I88 CarbonylContact O-C 3.59Å; A46-I88 WeakPolarHBondContact O-CA 3.39Å; L48-I88 HydrophobicContact CD1-CG2 3.63Å; L48-I88 HydrophobicContact CG-CG2 3.79Å; L81-I88 HydrophobicContact CD1-CD1 3.8Å; I88-I90 HydrophobicContact CG2-CG1 4.07Å; I88-I109 HydrophobicContact CD1-CG2 3.88Å; I88-I109 HydrophobicContact CG2-CG2 4.37Å; I88-I114 HydrophobicContact CD1-CB 4.26Å; I88-I114 HydrophobicContact CD1-CD1 4.33Å; I88-I114 HydrophobicContact CD1-CG2 4.08Å; I88-I114 HydrophobicContact CG1-CG2 3.92Å; I88-P115 PolarHBondContact N-O 3.24Å; I88-V116 HydrophobicContact CB-CG1 4.5Å; I88-V116 HydrophobicContact CB-CG2 4.32Å; I88-V116 HydrophobicContact CG2-CG1 4.39Å; I88-V116 CarbonylContact O-C 3.57Å; I88-V116 WeakPolarHBondContact O-CA 3.27Å; I88-L117 PolarHBondContact O-N 2.94Å
89	I	98	Very high	88.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.4	168.2	-55.4	177.8	0	0	0	108.3	I45 A46 I47 L48 I58 V62 L117 I119 F222	I45-I89 HydrophobicContact CG2-CD1 4.02Å; I45-I89 HydrophobicContact CG2-CG1 3.99Å; A46-I89 PolarHBondContact O-N 2.72Å; I47-I89 CarbonylContact C-O 3.3Å; I47-I89 WeakPolarHBondContact CA-O 3.48Å; I47-I89 HydrophobicContact CG1-CB 4.48Å; L48-I89 PolarHBondContact N-O 3.1Å; I58-I89 HydrophobicContact CD1-CG2 4.27Å; I58-I89 HydrophobicContact CG2-CB 4.36Å; I58-I89 HydrophobicContact CG2-CD1 3.99Å; I58-I89 HydrophobicContact CG2-CG2 3.85Å; V62-I89 HydrophobicContact CG2-CD1 3.8Å; I89-L117 CarbonylContact C-O 3.59Å; I89-L117 VanDerWaalsContact CA-O 3.3Å; I89-L117 WeakPolarHBondContact CA-O 3.44Å; I89-L117 HydrophobicContact CG1-CB 4.39Å; I89-I119 HydrophobicContact CG2-CD1 3.9Å; I89-I119 HydrophobicContact CG2-CG1 4.47Å; I89-F222 HydrophobicContact CD1-CD1 4.3Å; I89-F222 HydrophobicContact CD1-CE1 4.15Å; I89-F222 HydrophobicContact CG1-CD1 4.28Å; I89-F222 HydrophobicContact CG1-CE1 3.69Å
90	I	96.3	Very high	87.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.4	177.3	-54.5	179.5	0	0	0	108.2	L48 C50 L74 I88 F110 V116 L117 I119 L125	L48-I90 HydrophobicContact CB-CG1 4.33Å; L48-I90 HydrophobicContact CD1-CG1 4.3Å; C50-I90 WeakPolarHBondContact SG-CG2 3.45Å; L74-I90 HydrophobicContact CD1-CG2 3.89Å; I88-I90 HydrophobicContact CG2-CG1 4.07Å; I90-F110 HydrophobicContact CD1-CE1 3.56Å; I90-F110 HydrophobicContact CD1-CZ 3.59Å; I90-V116 HydrophobicContact CD1-CG1 3.92Å; I90-V116 HydrophobicContact CG1-CG1 4.16Å; I90-L117 PolarHBondContact N-O 2.85Å; I90-I119 PolarHBondContact O-N 3.48Å; I90-L125 HydrophobicContact CD1-CD2 4.42Å; I90-L125 HydrophobicContact CG2-CD2 4.39Å
91	S	91.9	Very high	86.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-75	170	-174.5	76.2	0	0	0	0	113.4	L48 D49 C50 I119 G122	L48-S91 PolarHBondContact O-N 3.41Å; D49-S91 PolarHBondContact OD1-OG 3.06Å; C50-S91 PolarHBondContact N-OG 3.02Å; C50-S91 PolarHBondContact SG-O 2.94Å; S91-I119 CarbonylContact C-O 3.53Å; S91-G122 PolarHBondContact O-N 3.17Å
92	G	85.6	Confident	85.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.9	165	165.2	0	0	0	0	0	112.8	I119	G92-I119 WeakPolarHBondContact CA-O 3.35Å; G92-I119 PolarHBondContact N-O 2.9Å
93	S	81.9	Confident	85	Confident	14 Å²	14	46.9 Å²	46.9	10%	0.098	27%	0.268	C	S	.	.			trans	-146	151.1	-179.4	-176.1	0	0	0	0	109.8	C50 H95 Y121	C50-S93 PolarHBondContact O-OG 3.05Å; S93-H95 PolarHBondContact O-N 2.9Å; S93-H95 WeakPolarHBondContact OG-CB 3.16Å; S93-H95 PolarHBondContact OG-CD2 3.23Å; S93-H95 PolarHBondContact OG-N 2.82Å; S93-H95 VanDerWaalsContact OG-N 3.15Å; S93-Y121 VanDerWaalsContact CB-CB 3.5Å; S93-Y121 VanDerWaalsContact N-CB 3.31Å
94	P	72.9	Confident	84.9	Confident	93 Å²	93	48 Å²	48	60%	0.604	26%	0.257	S	S	*	.	S	Bend	trans	-74.4	-9.5	168.2	32.4	-34.9	0	0	0	113
95	H	75.9	Confident	84.8	Confident	60 Å²	60	45.8 Å²	45.8	28%	0.278	25%	0.249	S	C	.	.	S	Bend	trans	-88.2	147.4	-177.3	-63	-66	0	0	0	112.5	S93 E99 Y121	S93-H95 PolarHBondContact O-N 2.9Å; S93-H95 WeakPolarHBondContact OG-CB 3.16Å; S93-H95 PolarHBondContact OG-CD2 3.23Å; S93-H95 PolarHBondContact OG-N 2.82Å; S93-H95 VanDerWaalsContact OG-N 3.15Å; H95-E99 IonicContact CG-OE2 3.71Å; H95-E99 IonicContact ND1-OE2 2.92Å; H95-E99 PolarHBondContact ND1-OE2 3.04Å; H95-Y121 WeakPolarHBondContact O-CD2 3.29Å; H95-Y121 WeakPolarHBondContact O-CE2 3.24Å
96	S	80.4	Confident	84.7	Confident	19 Å²	19	46.4 Å²	46.4	13%	0.133	25%	0.253	C	S	.	.			trans	-78.7	148.8	162.3	-66.4	0	0	0	0	111.3	Y98 E99 D171	S96-Y98 PolarHBondContact O-N 3.19Å; S96-Y98 VanDerWaalsContact O-N 3.15Å; S96-E99 PolarHBondContact N-OE1 3.09Å; S96-E99 WeakPolarHBondContact O-CB 3.37Å; S96-E99 PolarHBondContact O-N 3.11Å; S96-E99 VanDerWaalsContact O-N 3.1Å; S96-D171 WeakPolarHBondContact CA-OD2 3.5Å; S96-D171 WeakPolarHBondContact CB-OD2 3.29Å; S96-D171 PolarHBondContact OG-OD1 3.3Å; S96-D171 PolarHBondContact OG-OD2 2.9Å
97	V	78.5	Confident	84.5	Confident	10 Å²	10	48.8 Å²	48.8	6%	0.061	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.3	-177.9	-67.3	0	0	0	0	114.2	Y121 H124 M128 V134	V97-Y121 HydrophobicContact CB-CE2 4.33Å; V97-Y121 HydrophobicContact CG1-CD2 3.96Å; V97-Y121 HydrophobicContact CG1-CE2 3.55Å; V97-H124 HydrophobicContact CG1-CB 3.57Å; V97-M128 HydrophobicContact CB-SD 3.91Å; V97-M128 HydrophobicContact CG2-SD 3.98Å; V97-V134 HydrophobicContact CG2-CB 4.07Å; V97-V134 HydrophobicContact CG2-CG1 4.4Å; V97-V134 HydrophobicContact CG2-CG2 4.28Å
98	Y	81.1	Confident	84.4	Confident	129 Å²	129	54.1 Å²	54.1	51%	0.506	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.9	178.6	-57.3	-67.3	0	0	0	114.2	S96 M128 V134	S96-Y98 PolarHBondContact O-N 3.19Å; S96-Y98 VanDerWaalsContact O-N 3.15Å; Y98-M128 HydrophobicContact CD1-SD 4.17Å; Y98-M128 HydrophobicContact CE1-CG 4.17Å; Y98-M128 HydrophobicContact CE1-SD 3.72Å; Y98-V134 HydrophobicContact CE2-CB 4Å; Y98-V134 WeakPolarHBondContact CE2-O 3.28Å; Y98-V134 PolarHBondContact OH-N 3.36Å
99	E	78.8	Confident	84.2	Confident	69 Å²	69	54.2 Å²	54.2	32%	0.322	28%	0.28	S	S	.	.			trans	-64.7	141.3	174.9	-82	173.3	-158.5	0	0	110.8	H95 S96 T101 A102	H95-E99 IonicContact CG-OE2 3.71Å; H95-E99 IonicContact ND1-OE2 2.92Å; H95-E99 PolarHBondContact ND1-OE2 3.04Å; S96-E99 PolarHBondContact N-OE1 3.09Å; S96-E99 WeakPolarHBondContact O-CB 3.37Å; S96-E99 PolarHBondContact O-N 3.11Å; S96-E99 VanDerWaalsContact O-N 3.1Å; E99-T101 PolarHBondContact O-N 2.93Å; E99-T101 VanDerWaalsContact O-N 3.17Å; E99-A102 WeakPolarHBondContact O-CB 3.47Å; E99-A102 PolarHBondContact O-N 2.9Å
100	T	70.1	Confident	84	Confident	151 Å²	151	54.7 Å²	54.7	93%	0.926	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.4	174.9	52.3	0	0	0	0	112.8
101	T	73.2	Confident	83.9	Confident	90 Å²	90	60.4 Å²	60.4	55%	0.552	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	7.5	174.6	52.2	0	0	0	0	113.4	E99	E99-T101 PolarHBondContact O-N 2.93Å; E99-T101 VanDerWaalsContact O-N 3.17Å
102	A	77.3	Confident	83.8	Confident	23 Å²	23	61.9 Å²	61.9	19%	0.19	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-57.5	139.6	179.7	0	0	0	0	0	111.1	E99 V104	E99-A102 WeakPolarHBondContact O-CB 3.47Å; E99-A102 PolarHBondContact O-N 2.9Å; A102-V104 PolarHBondContact O-N 3.14Å
103	P	77.5	Confident	84	Confident	31 Å²	31	65.2 Å²	65.2	20%	0.201	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-54.3	128.9	177.6	-29.4	36.8	0	0	0	112.9	L74	L74-P103 HydrophobicContact CB-CB 4.42Å; L74-P103 HydrophobicContact CD2-CB 3.64Å
104	V	84.1	Confident	84.7	Confident	112 Å²	112	65.4 Å²	65.4	68%	0.679	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-72.4	141.2	176.3	-177.7	0	0	0	0	109.9	L74 S75 A102	L74-V104 CarbonylContact C-O 3.56Å; S75-V104 WeakPolarHBondContact CA-O 3.31Å; S75-V104 WeakPolarHBondContact CB-O 3.33Å; S75-V104 PolarHBondContact N-O 2.73Å; S75-V104 VanDerWaalsContact N-O 3.17Å; A102-V104 PolarHBondContact O-N 3.14Å
105	Y	91.3	Very high	85.8	Confident	47 Å²	47	62.2 Å²	62.2	18%	0.184	33%	0.332	C	S	.	.			trans	-141.1	157.6	-178.8	69.7	-82.5	0	0	0	112.1	R107 F110 L125 M128 E129	Y105-R107 HydrophobicContact CD2-CG 4.42Å; Y105-R107 HydrophobicContact CE2-CB 4.41Å; Y105-R107 HydrophobicContact CE2-CG 3.8Å; Y105-F110 HydrophobicContact CD2-CE2 4.13Å; Y105-F110 AromaticContact CE2-CE2 3.85Å; Y105-F110 HydrophobicContact CE2-CE2 3.85Å; Y105-L125 HydrophobicContact CD1-CD1 3.84Å; Y105-L125 HydrophobicContact CD1-CD2 4.2Å; Y105-L125 HydrophobicContact CD1-CG 4.49Å; Y105-L125 HydrophobicContact CD2-CD2 4.31Å; Y105-L125 HydrophobicContact CE1-CD1 3.39Å; Y105-L125 HydrophobicContact CE1-CD2 4.45Å; Y105-L125 HydrophobicContact CE1-CG 4.25Å; Y105-L125 HydrophobicContact CE2-CD1 4.37Å; Y105-L125 HydrophobicContact CE2-CG 4.43Å; Y105-L125 HydrophobicContact CG-CD2 4.14Å; Y105-M128 HydrophobicContact CE1-CE 4.47Å; Y105-E129 WeakPolarHBondContact CE2-OE2 3.33Å; Y105-E129 PolarHBondContact OH-OE2 3Å
106	D	92.4	Very high	86.9	Confident	29 Å²	29	59.3 Å²	59.3	16%	0.155	32%	0.319	C	S	.	.			trans	-88.5	110.8	173.4	-173.7	-15.7	0	0	0	110.1	V78 R108 I109	V78-D106 HydrophobicContact CG2-CB 4.12Å; V78-D106 PolarHBondContact N-OD2 3.35Å; D106-R108 PolarHBondContact O-N 2.95Å; D106-R108 VanDerWaalsContact OD1-CB 3.27Å; D106-R108 WeakPolarHBondContact OD1-CB 3.46Å; D106-R108 WeakPolarHBondContact OD1-CG 3.22Å; D106-R108 PolarHBondContact OD1-N 3.4Å; D106-R108 IonicContact OD1-NE 3.94Å; D106-R108 PolarHBondContact OD1-NE 2.98Å; D106-R108 VanDerWaalsContact OD1-NE 3.1Å; D106-R108 IonicContact OD2-CZ 3.48Å; D106-R108 VanDerWaalsContact OD2-CZ 3.31Å; D106-R108 IonicContact OD2-NE 3.2Å; D106-R108 PolarHBondContact OD2-NE 2.92Å; D106-R108 VanDerWaalsContact OD2-NE 3.14Å; D106-R108 IonicContact OD2-NH2 2.82Å; D106-R108 PolarHBondContact OD2-NH2 2.8Å; D106-I109 HydrophobicContact CB-CD1 4.34Å; D106-I109 HydrophobicContact CB-CG1 4.42Å; D106-I109 VanDerWaalsContact O-CB 3.31Å; D106-I109 WeakPolarHBondContact O-CB 3.28Å; D106-I109 VanDerWaalsContact O-CD1 3.29Å; D106-I109 WeakPolarHBondContact O-CD1 3.29Å; D106-I109 WeakPolarHBondContact O-CG1 3.29Å; D106-I109 PolarHBondContact O-N 3.29Å
107	R	92.8	Very high	87.8	Confident	148 Å²	148	58.4 Å²	58.4	56%	0.558	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-58.4	-21.8	-177.3	-57.3	-178.8	70	179.4	0.1	113.4	Y105 I109 F110 H111 E129	Y105-R107 HydrophobicContact CD2-CG 4.42Å; Y105-R107 HydrophobicContact CE2-CB 4.41Å; Y105-R107 HydrophobicContact CE2-CG 3.8Å; R107-I109 PolarHBondContact O-N 2.93Å; R107-I109 VanDerWaalsContact O-N 3.17Å; R107-F110 PolarHBondContact O-N 2.77Å; R107-H111 PolarHBondContact O-ND1 2.85Å; R107-H111 VanDerWaalsContact O-ND1 3.07Å; R107-E129 IonicContact CZ-OE1 2.77Å; R107-E129 IonicContact CZ-OE2 2.64Å; R107-E129 IonicContact NE-OE1 3.82Å; R107-E129 PolarHBondContact NE-OE1 3.35Å; R107-E129 IonicContact NE-OE2 3.74Å; R107-E129 PolarHBondContact NE-OE2 3.25Å; R107-E129 IonicContact NH2-OE1 3.61Å; R107-E129 PolarHBondContact NH2-OE1 3.35Å; R107-E129 IonicContact NH2-OE2 3.36Å
108	R	94.3	Very high	88.7	Confident	112 Å²	112	58 Å²	58	42%	0.423	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-63.1	-17.6	175.3	-62.3	178.5	-66	164.6	0.8	112.3	V78 D79 D106 F110 H111 C112	V78-R108 HydrophobicContact CB-CB 4.09Å; V78-R108 HydrophobicContact CG1-CB 4.3Å; V78-R108 HydrophobicContact CG2-CB 3.68Å; D79-R108 IonicContact OD1-CZ 2.9Å; D79-R108 IonicContact OD1-NH1 3.61Å; D79-R108 PolarHBondContact OD1-NH1 3.46Å; D79-R108 VanDerWaalsContact OD1-NH1 3.16Å; D79-R108 IonicContact OD1-NH2 3.92Å; D79-R108 IonicContact OD2-CZ 3.46Å; D79-R108 IonicContact OD2-NH1 3.79Å; D79-R108 PolarHBondContact OD2-NH1 3.31Å; D79-R108 IonicContact OD2-NH2 3.24Å; D79-R108 PolarHBondContact OD2-NH2 3.05Å; D106-R108 PolarHBondContact O-N 2.95Å; D106-R108 VanDerWaalsContact OD1-CB 3.27Å; D106-R108 WeakPolarHBondContact OD1-CB 3.46Å; D106-R108 WeakPolarHBondContact OD1-CG 3.22Å; D106-R108 PolarHBondContact OD1-N 3.4Å; D106-R108 IonicContact OD1-NE 3.94Å; D106-R108 PolarHBondContact OD1-NE 2.98Å; D106-R108 VanDerWaalsContact OD1-NE 3.1Å; D106-R108 IonicContact OD2-CZ 3.48Å; D106-R108 VanDerWaalsContact OD2-CZ 3.31Å; D106-R108 IonicContact OD2-NE 3.2Å; D106-R108 PolarHBondContact OD2-NE 2.92Å; D106-R108 VanDerWaalsContact OD2-NE 3.14Å; D106-R108 IonicContact OD2-NH2 2.82Å; D106-R108 PolarHBondContact OD2-NH2 2.8Å; R108-F110 PolarHBondContact O-N 3.47Å; R108-H111 CarbonylContact O-C 3.51Å; R108-H111 PolarHBondContact O-N 2.99Å; R108-C112 WeakPolarHBondContact O-CB 3.37Å; R108-C112 PolarHBondContact O-N 2.86Å
109	I	94.3	Very high	89.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-53.1	-42.6	-180	-74	163.1	0	0	0	110.5	L48 V78 L81 I88 D106 R107 H111 C112 V116	L48-I109 HydrophobicContact CD1-CD1 3.56Å; L48-I109 HydrophobicContact CD1-CG1 4.37Å; L48-I109 HydrophobicContact CD1-CG2 4.42Å; V78-I109 HydrophobicContact CG2-CB 4.18Å; V78-I109 HydrophobicContact CG2-CG1 3.48Å; V78-I109 VanDerWaalsContact CG2-CG1 3.48Å; V78-I109 VanDerWaalsContact CG2-N 3.27Å; L81-I109 HydrophobicContact CD1-CG1 4.2Å; I88-I109 HydrophobicContact CD1-CG2 3.88Å; I88-I109 HydrophobicContact CG2-CG2 4.37Å; D106-I109 HydrophobicContact CB-CD1 4.34Å; D106-I109 HydrophobicContact CB-CG1 4.42Å; D106-I109 VanDerWaalsContact O-CB 3.31Å; D106-I109 WeakPolarHBondContact O-CB 3.28Å; D106-I109 VanDerWaalsContact O-CD1 3.29Å; D106-I109 WeakPolarHBondContact O-CD1 3.29Å; D106-I109 WeakPolarHBondContact O-CG1 3.29Å; D106-I109 PolarHBondContact O-N 3.29Å; R107-I109 PolarHBondContact O-N 2.93Å; R107-I109 VanDerWaalsContact O-N 3.17Å; I109-H111 VanDerWaalsContact C-N 3.25Å; I109-H111 PolarHBondContact O-N 2.89Å; I109-C112 PolarHBondContact O-SG 3.33Å; I109-V116 HydrophobicContact CG2-CG2 4.37Å
110	F	94.6	Very high	90	Very high	10 Å²	10	49 Å²	49	4%	0.044	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-80.4	-4.4	-178.1	-54.7	-68.8	0	0	0	114	I90 Y105 R107 R108 V116 L125 I126 E129 F130 I200	I90-F110 HydrophobicContact CD1-CE1 3.56Å; I90-F110 HydrophobicContact CD1-CZ 3.59Å; Y105-F110 HydrophobicContact CD2-CE2 4.13Å; Y105-F110 AromaticContact CE2-CE2 3.85Å; Y105-F110 HydrophobicContact CE2-CE2 3.85Å; R107-F110 PolarHBondContact O-N 2.77Å; R108-F110 PolarHBondContact O-N 3.47Å; F110-V116 HydrophobicContact CD1-CG1 4.2Å; F110-V116 HydrophobicContact CD1-CG2 4.43Å; F110-V116 HydrophobicContact CE1-CG1 3.99Å; F110-L125 HydrophobicContact CE2-CG 4.48Å; F110-L125 HydrophobicContact CZ-CD2 4.11Å; F110-L125 HydrophobicContact CZ-CG 4.18Å; F110-I126 HydrophobicContact CD1-CG1 4.04Å; F110-I126 HydrophobicContact CE1-CB 4.5Å; F110-I126 HydrophobicContact CE1-CD1 4.3Å; F110-I126 HydrophobicContact CE1-CG1 3.38Å; F110-I126 HydrophobicContact CZ-CG1 4.03Å; F110-E129 HydrophobicContact CD2-CB 4.22Å; F110-E129 HydrophobicContact CD2-CG 3.63Å; F110-E129 HydrophobicContact CE2-CB 4.19Å; F110-E129 HydrophobicContact CE2-CG 4.03Å; F110-E129 HydrophobicContact CG-CG 4.39Å; F110-F130 HydrophobicContact CB-CE2 3.79Å; F110-F130 HydrophobicContact CB-CZ 3.75Å; F110-F130 HydrophobicContact CG-CE2 4.18Å; F110-I200 HydrophobicContact CB-CD1 4.11Å; F110-I200 WeakPolarHBondContact O-CD1 3.28Å
111	H	92.6	Very high	91	Very high	121 Å²	121	42 Å²	42	56%	0.56	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-120.9	-1.1	-174.8	-58.6	91.9	0	0	0	112.7	R107 R108 I109 G113 F130	R107-H111 PolarHBondContact O-ND1 2.85Å; R107-H111 VanDerWaalsContact O-ND1 3.07Å; R108-H111 CarbonylContact O-C 3.51Å; R108-H111 PolarHBondContact O-N 2.99Å; I109-H111 VanDerWaalsContact C-N 3.25Å; I109-H111 PolarHBondContact O-N 2.89Å; H111-G113 VanDerWaalsContact C-N 3.28Å; H111-G113 PolarHBondContact O-N 3.32Å; H111-F130 AromaticContact NE2-CE1 3.76Å
112	C	90.7	Very high	92	Very high	30 Å²	30	37.7 Å²	37.7	20%	0.203	20%	0.203	C	C	.	.	S	Bend	trans	-83.2	1	-173.1	72.2	0	0	0	0	114.5	V78 L82 R108 I109 I114	V78-C112 HydrophobicContact CG1-CB 3.68Å; L82-C112 HydrophobicContact CD2-CB 3.85Å; L82-C112 HydrophobicContact CG-CB 4.5Å; R108-C112 WeakPolarHBondContact O-CB 3.37Å; R108-C112 PolarHBondContact O-N 2.86Å; I109-C112 PolarHBondContact O-SG 3.33Å; C112-I114 PolarHBondContact O-N 2.84Å
113	G	90.5	Very high	92.8	Very high	71 Å²	71	36.6 Å²	36.6	73%	0.732	19%	0.194	S	C	*	.	S	Bend	trans	77.3	2.8	-179.9	0	0	0	0	0	115	H111	H111-G113 VanDerWaalsContact C-N 3.28Å; H111-G113 PolarHBondContact O-N 3.32Å
114	I	94.9	Very high	93.6	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.092	19%	0.186	C	C	.	.	S	Bend	trans	-85.7	130.4	173.3	-58.6	173.6	0	0	0	108.5	L81 L82 A87 I88 C112 V116	L81-I114 HydrophobicContact CB-CD1 4.47Å; L82-I114 HydrophobicContact CD2-CD1 4.36Å; A87-I114 VanDerWaalsContact CA-CG2 3.46Å; I88-I114 HydrophobicContact CD1-CB 4.26Å; I88-I114 HydrophobicContact CD1-CD1 4.33Å; I88-I114 HydrophobicContact CD1-CG2 4.08Å; I88-I114 HydrophobicContact CG1-CG2 3.92Å; C112-I114 PolarHBondContact O-N 2.84Å; I114-V116 WeakPolarHBondContact O-CG2 3.35Å; I114-V116 PolarHBondContact O-N 3.01Å
115	P	97.7	Very high	94.1	Very high	25 Å²	25	30 Å²	30	16%	0.162	15%	0.153	C	C	.	.			trans	-56.8	135.2	174.5	-26.3	34.1	0	0	0	112.7	K86 A87 I88 G199 F222	K86-P115 WeakPolarHBondContact O-CD 3.46Å; A87-P115 WeakPolarHBondContact CA-O 3.37Å; A87-P115 HydrophobicContact CB-CB 4.4Å; I88-P115 PolarHBondContact N-O 3.24Å; P115-G199 CarbonylContact C-O 3.56Å; P115-G199 VanDerWaalsContact CA-O 3.25Å; P115-G199 WeakPolarHBondContact CA-O 3.49Å; P115-F222 HydrophobicContact CB-CE2 4.27Å; P115-F222 HydrophobicContact CB-CZ 4.45Å
116	V	98.4	Very high	94.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.3	-176.2	-172.7	0	0	0	0	110.8	I88 I90 I109 F110 I114 I126 G199 Y201	I88-V116 HydrophobicContact CB-CG1 4.5Å; I88-V116 HydrophobicContact CB-CG2 4.32Å; I88-V116 HydrophobicContact CG2-CG1 4.39Å; I88-V116 CarbonylContact O-C 3.57Å; I88-V116 WeakPolarHBondContact O-CA 3.27Å; I90-V116 HydrophobicContact CD1-CG1 3.92Å; I90-V116 HydrophobicContact CG1-CG1 4.16Å; I109-V116 HydrophobicContact CG2-CG2 4.37Å; F110-V116 HydrophobicContact CD1-CG1 4.2Å; F110-V116 HydrophobicContact CD1-CG2 4.43Å; F110-V116 HydrophobicContact CE1-CG1 3.99Å; I114-V116 WeakPolarHBondContact O-CG2 3.35Å; I114-V116 PolarHBondContact O-N 3.01Å; V116-I126 HydrophobicContact CG1-CD1 4.47Å; V116-G199 PolarHBondContact N-O 2.84Å; V116-Y201 PolarHBondContact O-N 2.98Å
117	L	98.6	Very high	94.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.3	167.4	178.1	62.9	0	0	0	110.3	I88 I89 I90 I119 L155 Y201 V203 L219 F222	I88-L117 PolarHBondContact O-N 2.94Å; I89-L117 CarbonylContact C-O 3.59Å; I89-L117 VanDerWaalsContact CA-O 3.3Å; I89-L117 WeakPolarHBondContact CA-O 3.44Å; I89-L117 HydrophobicContact CG1-CB 4.39Å; I90-L117 PolarHBondContact N-O 2.85Å; L117-I119 HydrophobicContact CD2-CD1 4.46Å; L117-I119 HydrophobicContact CG-CG1 4.29Å; L117-L155 HydrophobicContact CD1-CD2 4.35Å; L117-Y201 CarbonylContact C-O 3.5Å; L117-Y201 VanDerWaalsContact CA-O 3.29Å; L117-Y201 WeakPolarHBondContact CA-O 3.32Å; L117-V203 HydrophobicContact CD1-CG2 4.45Å; L117-L219 HydrophobicContact CD2-CD2 4.13Å; L117-F222 HydrophobicContact CB-CD1 4.04Å; L117-F222 HydrophobicContact CB-CD2 3.88Å; L117-F222 HydrophobicContact CB-CE1 3.76Å; L117-F222 HydrophobicContact CB-CE2 3.6Å; L117-F222 HydrophobicContact CB-CG 4.1Å; L117-F222 HydrophobicContact CB-CZ 3.53Å; L117-F222 HydrophobicContact CD2-CB 4.27Å; L117-F222 HydrophobicContact CD2-CD1 4.01Å; L117-F222 HydrophobicContact CD2-CD2 4.43Å; L117-F222 HydrophobicContact CD2-CG 3.97Å
118	G	97	Very high	94.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.2	172	0	0	0	0	0	112.3	G122 Y201 G202 V203	G118-G122 VanDerWaalsContact CA-C 3.47Å; G118-Y201 PolarHBondContact N-O 3.37Å; G118-G202 CarbonylContact O-C 3.58Å; G118-G202 WeakPolarHBondContact O-CA 3.49Å; G118-V203 PolarHBondContact O-N 3.13Å
119	I	95.4	Very high	94.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.4	178.5	-62.6	172.3	0	0	0	109.2	I58 I89 I90 S91 G92 L117 Y121 G122 V203 P207	I58-I119 HydrophobicContact CD1-CD1 3.87Å; I58-I119 HydrophobicContact CG1-CD1 4.15Å; I89-I119 HydrophobicContact CG2-CD1 3.9Å; I89-I119 HydrophobicContact CG2-CG1 4.47Å; I90-I119 PolarHBondContact O-N 3.48Å; S91-I119 CarbonylContact C-O 3.53Å; G92-I119 WeakPolarHBondContact CA-O 3.35Å; G92-I119 PolarHBondContact N-O 2.9Å; L117-I119 HydrophobicContact CD2-CD1 4.46Å; L117-I119 HydrophobicContact CG-CG1 4.29Å; I119-Y121 PolarHBondContact O-N 2.87Å; I119-G122 PolarHBondContact O-N 3.3Å; I119-V203 HydrophobicContact CG1-CG2 4.16Å; I119-P207 HydrophobicContact CD1-CG 3.82Å; I119-P207 HydrophobicContact CG1-CG 4.24Å
120	C	92.4	Very high	94.6	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.061	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-98.3	179.2	-174.3	0	0	0	0	112.2	G122 F123 H124 V203 H206	C120-G122 VanDerWaalsContact C-N 3.33Å; C120-G122 PolarHBondContact O-N 2.79Å; C120-F123 WeakPolarHBondContact O-CA 3.44Å; C120-F123 VanDerWaalsContact O-CB 3.25Å; C120-F123 WeakPolarHBondContact O-CB 3.39Å; C120-F123 PolarHBondContact O-N 2.89Å; C120-H124 PolarHBondContact O-N 2.87Å; C120-V203 PolarHBondContact N-O 3.42Å; C120-H206 WeakPolarHBondContact CB-NE2 3.35Å
121	Y	90.9	Very high	94.5	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-42.6	172.6	179.3	-96.7	0	0	0	112.7	C50 L74 S93 H95 V97 I119 F123 H124 L125	C50-Y121 HydrophobicContact CB-CD1 3.78Å; C50-Y121 HydrophobicContact CB-CE1 4.13Å; L74-Y121 HydrophobicContact CD2-CE1 4.23Å; S93-Y121 VanDerWaalsContact CB-CB 3.5Å; S93-Y121 VanDerWaalsContact N-CB 3.31Å; H95-Y121 WeakPolarHBondContact O-CD2 3.29Å; H95-Y121 WeakPolarHBondContact O-CE2 3.24Å; V97-Y121 HydrophobicContact CB-CE2 4.33Å; V97-Y121 HydrophobicContact CG1-CD2 3.96Å; V97-Y121 HydrophobicContact CG1-CE2 3.55Å; I119-Y121 PolarHBondContact O-N 2.87Å; Y121-F123 PolarHBondContact O-N 3.04Å; Y121-H124 WeakPolarHBondContact O-CB 3.17Å; Y121-H124 PolarHBondContact O-N 3.09Å; Y121-H124 VanDerWaalsContact O-N 3.12Å; Y121-L125 HydrophobicContact CE1-CD1 4.43Å; Y121-L125 HydrophobicContact CE1-CD2 4.33Å; Y121-L125 WeakPolarHBondContact O-CB 3.32Å; Y121-L125 PolarHBondContact O-N 2.84Å
122	G	93.6	Very high	94.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-31.6	175.5	0	0	0	0	0	112.6	S91 G118 I119 C120 I126	S91-G122 PolarHBondContact O-N 3.17Å; G118-G122 VanDerWaalsContact CA-C 3.47Å; I119-G122 PolarHBondContact O-N 3.3Å; C120-G122 VanDerWaalsContact C-N 3.33Å; C120-G122 PolarHBondContact O-N 2.79Å; G122-I126 WeakPolarHBondContact O-CD1 3.48Å; G122-I126 VanDerWaalsContact O-CG1 3.27Å; G122-I126 WeakPolarHBondContact O-CG1 3.22Å; G122-I126 PolarHBondContact O-N 3.44Å; G122-I126 VanDerWaalsContact O-N 3.08Å
123	F	95.9	Very high	94.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69	-42.8	174.2	160.8	-105.3	0	0	0	112	C120 Y121 L125 I126 N127 I173 V190 L193 V203 Q204	C120-F123 WeakPolarHBondContact O-CA 3.44Å; C120-F123 VanDerWaalsContact O-CB 3.25Å; C120-F123 WeakPolarHBondContact O-CB 3.39Å; C120-F123 PolarHBondContact O-N 2.89Å; Y121-F123 PolarHBondContact O-N 3.04Å; F123-L125 VanDerWaalsContact C-N 3.34Å; F123-I126 PolarHBondContact O-N 3.15Å; F123-N127 PolarHBondContact O-N 3.49Å; F123-N127 VanDerWaalsContact O-N 3.15Å; F123-I173 HydrophobicContact CD1-CD1 4.28Å; F123-I173 HydrophobicContact CD2-CD1 4.4Å; F123-I173 HydrophobicContact CE1-CD1 3.47Å; F123-I173 VanDerWaalsContact CE1-CD1 3.47Å; F123-I173 HydrophobicContact CE1-CG1 3.8Å; F123-I173 HydrophobicContact CE2-CD1 3.67Å; F123-I173 HydrophobicContact CZ-CD1 3.15Å; F123-I173 HydrophobicContact CZ-CG1 3.95Å; F123-V190 HydrophobicContact CZ-CG1 4.09Å; F123-L193 HydrophobicContact CE2-CB 3.95Å; F123-L193 HydrophobicContact CE2-CD1 4.1Å; F123-L193 HydrophobicContact CE2-CG 3.74Å; F123-L193 HydrophobicContact CZ-CG 4.37Å; F123-V203 VanDerWaalsContact CB-O 3.24Å; F123-V203 WeakPolarHBondContact CB-O 3.29Å; F123-Q204 HydrophobicContact CD1-CB 3.92Å; F123-Q204 HydrophobicContact CE1-CB 3.71Å; F123-Q204 HydrophobicContact CE1-CG 4.3Å; F123-Q204 VanDerWaalsContact CE1-OE1 3.27Å; F123-Q204 HydrophobicContact CZ-CB 4.31Å
124	H	94.3	Very high	94.7	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.028	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-41.8	172.7	-62	155.8	0	0	0	112.1	V97 C120 Y121 I126 N127 M128 V134 D171 Q204	V97-H124 HydrophobicContact CG1-CB 3.57Å; C120-H124 PolarHBondContact O-N 2.87Å; Y121-H124 WeakPolarHBondContact O-CB 3.17Å; Y121-H124 PolarHBondContact O-N 3.09Å; Y121-H124 VanDerWaalsContact O-N 3.12Å; H124-I126 PolarHBondContact O-N 3.23Å; H124-N127 PolarHBondContact O-N 3.08Å; H124-M128 WeakPolarHBondContact O-CB 3.27Å; H124-M128 PolarHBondContact O-N 2.91Å; H124-V134 HydrophobicContact CB-CG1 4.45Å; H124-V134 HydrophobicContact CB-CG2 4.03Å; H124-D171 PolarHBondContact CE1-O 2.95Å; H124-D171 VanDerWaalsContact CE1-O 3.28Å; H124-D171 PolarHBondContact NE2-O 3.32Å; H124-Q204 PolarHBondContact NE2-NE2 2.83Å; H124-Q204 PolarHBondContact NE2-OE1 2.89Å
125	L	93.5	Very high	94.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-45.9	179.6	-166	65.8	0	0	0	111.5	L74 I90 Y105 F110 Y121 F123 M128 E129	L74-L125 HydrophobicContact CD1-CD2 4.3Å; L74-L125 HydrophobicContact CD2-CD2 4.15Å; I90-L125 HydrophobicContact CD1-CD2 4.42Å; I90-L125 HydrophobicContact CG2-CD2 4.39Å; Y105-L125 HydrophobicContact CD1-CD1 3.84Å; Y105-L125 HydrophobicContact CD1-CD2 4.2Å; Y105-L125 HydrophobicContact CD1-CG 4.49Å; Y105-L125 HydrophobicContact CD2-CD2 4.31Å; Y105-L125 HydrophobicContact CE1-CD1 3.39Å; Y105-L125 HydrophobicContact CE1-CD2 4.45Å; Y105-L125 HydrophobicContact CE1-CG 4.25Å; Y105-L125 HydrophobicContact CE2-CD1 4.37Å; Y105-L125 HydrophobicContact CE2-CG 4.43Å; Y105-L125 HydrophobicContact CG-CD2 4.14Å; F110-L125 HydrophobicContact CE2-CG 4.48Å; F110-L125 HydrophobicContact CZ-CD2 4.11Å; F110-L125 HydrophobicContact CZ-CG 4.18Å; Y121-L125 HydrophobicContact CE1-CD1 4.43Å; Y121-L125 HydrophobicContact CE1-CD2 4.33Å; Y121-L125 WeakPolarHBondContact O-CB 3.32Å; Y121-L125 PolarHBondContact O-N 2.84Å; F123-L125 VanDerWaalsContact C-N 3.34Å; L125-M128 HydrophobicContact CD1-CE 4.07Å; L125-M128 PolarHBondContact O-N 3.09Å; L125-E129 VanDerWaalsContact O-CB 3.27Å; L125-E129 WeakPolarHBondContact O-CB 3.44Å; L125-E129 PolarHBondContact O-N 2.93Å
126	I	95.5	Very high	93.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-51.9	174	-72.1	164.7	0	0	0	110.1	F110 V116 G122 F123 H124 M128 E129 F130 F180 I200 Y201	F110-I126 HydrophobicContact CD1-CG1 4.04Å; F110-I126 HydrophobicContact CE1-CB 4.5Å; F110-I126 HydrophobicContact CE1-CD1 4.3Å; F110-I126 HydrophobicContact CE1-CG1 3.38Å; F110-I126 HydrophobicContact CZ-CG1 4.03Å; V116-I126 HydrophobicContact CG1-CD1 4.47Å; G122-I126 WeakPolarHBondContact O-CD1 3.48Å; G122-I126 VanDerWaalsContact O-CG1 3.27Å; G122-I126 WeakPolarHBondContact O-CG1 3.22Å; G122-I126 PolarHBondContact O-N 3.44Å; G122-I126 VanDerWaalsContact O-N 3.08Å; F123-I126 PolarHBondContact O-N 3.15Å; H124-I126 PolarHBondContact O-N 3.23Å; I126-M128 PolarHBondContact O-N 3.3Å; I126-E129 PolarHBondContact O-N 3.4Å; I126-F130 HydrophobicContact CG2-CD2 4.3Å; I126-F130 VanDerWaalsContact O-CD2 3.31Å; I126-F130 WeakPolarHBondContact O-CD2 3.25Å; I126-F130 PolarHBondContact O-N 3.34Å; I126-F180 HydrophobicContact CG2-CE1 3.63Å; I126-F180 HydrophobicContact CG2-CZ 3.69Å; I126-I200 HydrophobicContact CD1-CG2 3.86Å; I126-I200 HydrophobicContact CG1-CG2 4.05Å; I126-I200 HydrophobicContact CG2-CG2 3.68Å; I126-Y201 WeakPolarHBondContact CD1-O 3.19Å
127	N	96.4	Very high	92.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-44.8	-177.4	-172.4	64.9	0	0	0	112.2	F123 H124 G131 G132 T133 I173 K175 A177 L193	F123-N127 PolarHBondContact O-N 3.49Å; F123-N127 VanDerWaalsContact O-N 3.15Å; H124-N127 PolarHBondContact O-N 3.08Å; N127-G131 PolarHBondContact O-N 2.93Å; N127-G132 WeakPolarHBondContact O-CA 3.4Å; N127-G132 PolarHBondContact O-N 3.5Å; N127-T133 PolarHBondContact ND2-N 2.89Å; N127-T133 PolarHBondContact ND2-O 3Å; N127-I173 HydrophobicContact CB-CD1 3.58Å; N127-I173 HydrophobicContact CB-CG1 4.09Å; N127-K175 PolarHBondContact ND2-O 3.26Å; N127-A177 PolarHBondContact OD1-N 3.47Å; N127-L193 HydrophobicContact CB-CD1 4.11Å; N127-L193 WeakPolarHBondContact OD1-CD1 3.27Å
128	M	93.6	Very high	90.4	Very high	44 Å²	44	35.1 Å²	35.1	22%	0.217	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-44.9	178.9	-175.8	-170.1	73.8	0	0	112	V97 Y98 Y105 H124 L125 I126 F130 G131	V97-M128 HydrophobicContact CB-SD 3.91Å; V97-M128 HydrophobicContact CG2-SD 3.98Å; Y98-M128 HydrophobicContact CD1-SD 4.17Å; Y98-M128 HydrophobicContact CE1-CG 4.17Å; Y98-M128 HydrophobicContact CE1-SD 3.72Å; Y105-M128 HydrophobicContact CE1-CE 4.47Å; H124-M128 WeakPolarHBondContact O-CB 3.27Å; H124-M128 PolarHBondContact O-N 2.91Å; L125-M128 HydrophobicContact CD1-CE 4.07Å; L125-M128 PolarHBondContact O-N 3.09Å; I126-M128 PolarHBondContact O-N 3.3Å; M128-F130 PolarHBondContact O-N 2.86Å; M128-G131 PolarHBondContact O-N 3.28Å
129	E	93.9	Very high	88.5	Confident	18 Å²	18	41.7 Å²	41.7	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-39.2	-177.9	177.6	60.1	-144.6	0	0	112.2	Y105 R107 F110 L125 I126 G131	Y105-E129 WeakPolarHBondContact CE2-OE2 3.33Å; Y105-E129 PolarHBondContact OH-OE2 3Å; R107-E129 IonicContact CZ-OE1 2.77Å; R107-E129 IonicContact CZ-OE2 2.64Å; R107-E129 IonicContact NE-OE1 3.82Å; R107-E129 PolarHBondContact NE-OE1 3.35Å; R107-E129 IonicContact NE-OE2 3.74Å; R107-E129 PolarHBondContact NE-OE2 3.25Å; R107-E129 IonicContact NH2-OE1 3.61Å; R107-E129 PolarHBondContact NH2-OE1 3.35Å; R107-E129 IonicContact NH2-OE2 3.36Å; F110-E129 HydrophobicContact CD2-CB 4.22Å; F110-E129 HydrophobicContact CD2-CG 3.63Å; F110-E129 HydrophobicContact CE2-CB 4.19Å; F110-E129 HydrophobicContact CE2-CG 4.03Å; F110-E129 HydrophobicContact CG-CG 4.39Å; L125-E129 VanDerWaalsContact O-CB 3.27Å; L125-E129 WeakPolarHBondContact O-CB 3.44Å; L125-E129 PolarHBondContact O-N 2.93Å; I126-E129 PolarHBondContact O-N 3.4Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 2.99Å
130	F	95.5	Very high	87.1	Confident	50 Å²	50	48.7 Å²	48.7	22%	0.219	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	13.1	179.7	-70.9	-78.9	0	0	0	113.6	F110 H111 I126 M128 A177 P178 F180 I200	F110-F130 HydrophobicContact CB-CE2 3.79Å; F110-F130 HydrophobicContact CB-CZ 3.75Å; F110-F130 HydrophobicContact CG-CE2 4.18Å; H111-F130 AromaticContact NE2-CE1 3.76Å; I126-F130 HydrophobicContact CG2-CD2 4.3Å; I126-F130 VanDerWaalsContact O-CD2 3.31Å; I126-F130 WeakPolarHBondContact O-CD2 3.25Å; I126-F130 PolarHBondContact O-N 3.34Å; M128-F130 PolarHBondContact O-N 2.86Å; F130-A177 HydrophobicContact CB-CB 3.6Å; F130-P178 WeakPolarHBondContact O-CD 3.11Å; F130-F180 HydrophobicContact CB-CD2 4.35Å; F130-F180 HydrophobicContact CB-CE2 3.76Å; F130-F180 HydrophobicContact CD1-CE2 4.11Å; F130-F180 AromaticContact CD2-CE2 3.47Å; F130-F180 HydrophobicContact CD2-CE2 3.47Å; F130-F180 VanDerWaalsContact CD2-CE2 3.47Å; F130-F180 AromaticContact CD2-CZ 3.57Å; F130-F180 HydrophobicContact CD2-CZ 3.57Å; F130-F180 HydrophobicContact CE2-CE2 4.07Å; F130-F180 AromaticContact CE2-CZ 3.82Å; F130-F180 HydrophobicContact CE2-CZ 3.82Å; F130-F180 AromaticContact CG-CE2 3.51Å; F130-F180 HydrophobicContact CG-CE2 3.51Å; F130-F180 HydrophobicContact CG-CZ 4.1Å; F130-I200 HydrophobicContact CE2-CD1 3.61Å; F130-I200 HydrophobicContact CZ-CD1 3.44Å; F130-I200 VanDerWaalsContact CZ-CD1 3.44Å
131	G	93	Very high	85.6	Confident	46 Å²	46	50.5 Å²	50.5	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	14.4	171.1	0	0	0	0	0	115.6	N127 M128 E129	N127-G131 PolarHBondContact O-N 2.93Å; M128-G131 PolarHBondContact O-N 3.28Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 2.99Å
132	G	94.8	Very high	84.4	Confident	6 Å²	6	54.4 Å²	54.4	6%	0.062	28%	0.279	C	S	.	.			trans	-77.1	172.1	164.5	0	0	0	0	0	112.5	N127 K175	N127-G132 WeakPolarHBondContact O-CA 3.4Å; N127-G132 PolarHBondContact O-N 3.5Å; G132-K175 CarbonylContact C-O 3.54Å; G132-K175 WeakPolarHBondContact CA-O 3.23Å
133	T	93.5	Very high	83.6	Confident	47 Å²	47	55.5 Å²	55.5	29%	0.288	29%	0.29	S	S	.	.			trans	-119.7	149.2	175.5	57.4	0	0	0	0	110.4	N127 D174 K175	N127-T133 PolarHBondContact ND2-N 2.89Å; N127-T133 PolarHBondContact ND2-O 3Å; T133-D174 PolarHBondContact O-N 3.5Å; T133-D174 PolarHBondContact OG1-OD2 2.85Å; T133-K175 HydrophobicContact CG2-CB 4.3Å; T133-K175 PolarHBondContact N-O 2.75Å; T133-K175 PolarHBondContact O-N 2.96Å; T133-K175 WeakPolarHBondContact OG1-CB 3.49Å; T133-K175 PolarHBondContact OG1-N 2.91Å
134	V	90.7	Very high	83	Confident	9 Å²	9	60.3 Å²	60.3	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138	174.8	178.8	0	0	0	0	107.3	V97 Y98 H124 D171 S172 I173	V97-V134 HydrophobicContact CG2-CB 4.07Å; V97-V134 HydrophobicContact CG2-CG1 4.4Å; V97-V134 HydrophobicContact CG2-CG2 4.28Å; Y98-V134 HydrophobicContact CE2-CB 4Å; Y98-V134 WeakPolarHBondContact CE2-O 3.28Å; Y98-V134 PolarHBondContact OH-N 3.36Å; H124-V134 HydrophobicContact CB-CG1 4.45Å; H124-V134 HydrophobicContact CB-CG2 4.03Å; V134-D171 HydrophobicContact CG1-CB 3.73Å; V134-S172 CarbonylContact C-O 3.56Å; V134-S172 WeakPolarHBondContact CA-O 3.41Å; V134-I173 HydrophobicContact CG2-CG1 4.45Å
135	E	87	Confident	82.6	Confident	112 Å²	112	63 Å²	63	52%	0.523	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.1	177.8	-72.7	-168.9	163.5	0	0	110.6	K137 D171 S172 D174	E135-K137 PolarHBondContact O-N 3.2Å; E135-D171 CarbonylContact O-C 3.51Å; E135-D171 WeakPolarHBondContact O-CA 3.49Å; E135-S172 PolarHBondContact N-O 2.83Å; E135-S172 PolarHBondContact O-N 3.2Å; E135-D174 HydrophobicContact CB-CB 4.2Å; E135-D174 HydrophobicContact CG-CB 3.68Å
136	K	81	Confident	82.6	Confident	159 Å²	159	67.2 Å²	67.2	69%	0.691	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.3	172.6	-173.1	167.3	-173.8	167.8	0	109.1	D171	K136-D171 WeakPolarHBondContact CA-OD1 3.48Å; K136-D171 WeakPolarHBondContact CB-OD1 3.48Å; K136-D171 WeakPolarHBondContact CG-OD1 3.34Å
137	K	72.1	Confident	82.6	Confident	92 Å²	92	67.2 Å²	67.2	40%	0.4	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	149.3	177.1	-76	-164.7	165.6	-166.1	0	111.4	E135 I139 G170 S172 L189	E135-K137 PolarHBondContact O-N 3.2Å; K137-I139 PolarHBondContact O-N 2.97Å; K137-G170 PolarHBondContact N-O 3.4Å; K137-S172 WeakPolarHBondContact CD-OG 3.34Å; K137-S172 WeakPolarHBondContact CE-OG 3.14Å; K137-S172 WeakPolarHBondContact CG-OG 3.34Å; K137-L189 HydrophobicContact CD-CD2 4.1Å
138	P	57.5	Low	82.7	Confident	134 Å²	134	71.2 Å²	71.2	87%	0.87	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	-28.3	177.3	23.7	-31.4	0	0	0	112.5
139	I	58.5	Low	82.8	Confident	138 Å²	138	69.2 Å²	69.2	71%	0.708	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.3	178.2	-57.1	171.3	0	0	0	108.2	K137	K137-I139 PolarHBondContact O-N 2.97Å
140	R	64.8	Low	83	Confident	148 Å²	148	70.2 Å²	70.2	56%	0.558	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	134.8	170.7	-67.3	-179.5	51.4	145.7	5.6	109.5	D142 H169	R140-D142 WeakPolarHBondContact CB-OD2 3.38Å; R140-D142 IonicContact CZ-OD1 3.98Å; R140-D142 IonicContact CZ-OD2 3.58Å; R140-D142 IonicContact NE-OD1 2.98Å; R140-D142 IonicContact NE-OD2 3.63Å; R140-D142 PolarHBondContact NE-OD2 2.88Å; R140-D142 IonicContact NH2-OD1 2.79Å; R140-D142 PolarHBondContact NH2-OD1 3.41Å; R140-D142 IonicContact NH2-OD2 3.31Å; R140-D142 PolarHBondContact NH2-OD2 3.22Å; R140-D142 PolarHBondContact O-N 2.94Å; R140-H169 WeakPolarHBondContact CA-O 3.22Å; R140-H169 WeakPolarHBondContact CB-O 3.49Å
141	E	62.1	Low	83	Confident	46 Å²	46	72.7 Å²	72.7	22%	0.215	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	103.3	164.1	-69.9	-165.7	145.5	0	0	107.6	L167 T168 H169 L189	E141-L167 HydrophobicContact CB-CB 4.26Å; E141-L167 CarbonylContact O-C 3.56Å; E141-L167 VanDerWaalsContact O-C 3.3Å; E141-L167 VanDerWaalsContact O-O 3.13Å; E141-L167 WeakPolarHBondContact OE2-CD1 3.33Å; E141-T168 VanDerWaalsContact O-CA 3.31Å; E141-T168 WeakPolarHBondContact O-CA 3.41Å; E141-T168 PolarHBondContact O-N 3.26Å; E141-H169 PolarHBondContact N-O 2.69Å; E141-H169 VanDerWaalsContact N-O 3.17Å; E141-H169 PolarHBondContact O-N 3.12Å; E141-H169 VanDerWaalsContact O-N 3.11Å; E141-H169 IonicContact OE2-NE2 2.92Å; E141-L189 HydrophobicContact CG-CD1 4.29Å; E141-L189 WeakPolarHBondContact OE1-CD1 3.45Å; E141-L189 WeakPolarHBondContact OE2-CD1 3.45Å
142	D	66.2	Low	83	Confident	86 Å²	86	76.2 Å²	76.2	46%	0.46	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	103.4	175.2	-68.3	-46.5	0	0	0	108	R140 L167 T168	R140-D142 WeakPolarHBondContact CB-OD2 3.38Å; R140-D142 IonicContact CZ-OD1 3.98Å; R140-D142 IonicContact CZ-OD2 3.58Å; R140-D142 IonicContact NE-OD1 2.98Å; R140-D142 IonicContact NE-OD2 3.63Å; R140-D142 PolarHBondContact NE-OD2 2.88Å; R140-D142 IonicContact NH2-OD1 2.79Å; R140-D142 PolarHBondContact NH2-OD1 3.41Å; R140-D142 IonicContact NH2-OD2 3.31Å; R140-D142 PolarHBondContact NH2-OD2 3.22Å; R140-D142 PolarHBondContact O-N 2.94Å; D142-L167 CarbonylContact C-O 3.52Å; D142-L167 WeakPolarHBondContact CA-O 3.19Å; D142-T168 WeakPolarHBondContact OD1-CA 3.43Å
143	G	75.4	Confident	83.1	Confident	23 Å²	23	76.2 Å²	76.2	24%	0.237	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-177.3	-179.3	0	0	0	0	0	115.1	H145 L166 L167	G143-H145 PolarHBondContact O-CD2 2.93Å; G143-L166 WeakPolarHBondContact O-CA 3.1Å; G143-L166 WeakPolarHBondContact O-CD1 3.18Å; G143-L167 PolarHBondContact N-O 3.44Å; G143-L167 PolarHBondContact O-N 3.45Å
144	Q	83	Confident	83.1	Confident	102 Å²	102	76.2 Å²	76.2	48%	0.477	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.2	170.8	-75.4	-178.6	-65.7	0	0	109.9	V164 V165 L211	Q144-V164 HydrophobicContact CB-CG1 3.97Å; Q144-V164 HydrophobicContact CG-CG1 4.32Å; Q144-V165 CarbonylContact C-O 3.53Å; Q144-V165 VanDerWaalsContact CA-O 3.29Å; Q144-V165 WeakPolarHBondContact CA-O 3.31Å; Q144-L211 HydrophobicContact CG-CB 4.02Å; Q144-L211 HydrophobicContact CG-CD2 4.29Å; Q144-L211 PolarHBondContact NE2-O 3.27Å
145	H	87.3	Confident	83.4	Confident	62 Å²	62	75.8 Å²	75.8	29%	0.287	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.2	178.3	-67.2	-101.6	0	0	0	110.1	G143 V164 V165 L167	G143-H145 PolarHBondContact O-CD2 2.93Å; H145-V164 WeakPolarHBondContact O-CA 3.24Å; H145-V165 PolarHBondContact N-O 3.44Å; H145-V165 PolarHBondContact O-N 3.43Å; H145-L167 HydrophobicContact CB-CD1 3.8Å
146	T	93	Very high	83.9	Confident	88 Å²	88	70.5 Å²	70.5	54%	0.54	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.3	169.9	-56.7	0	0	0	0	108.8	H162 E163	T146-H162 HydrophobicContact CG2-CB 3.95Å; T146-E163 CarbonylContact C-O 3.51Å; T146-E163 VanDerWaalsContact CA-O 3.31Å; T146-E163 WeakPolarHBondContact CA-O 3.21Å
147	I	95.5	Very high	84.6	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	152.1	177.2	61.2	163.2	0	0	0	110.8	I149 H162 E163 V165 A184 R185 A191 F205	I147-I149 HydrophobicContact CD1-CG2 3.68Å; I147-I149 HydrophobicContact CG1-CG2 4.07Å; I147-H162 VanDerWaalsContact O-CA 3.28Å; I147-H162 WeakPolarHBondContact O-CA 3.46Å; I147-E163 HydrophobicContact CG1-CB 4.42Å; I147-E163 PolarHBondContact N-O 3.09Å; I147-E163 PolarHBondContact O-N 2.85Å; I147-V165 HydrophobicContact CB-CG2 4.38Å; I147-V165 HydrophobicContact CD1-CB 4.39Å; I147-V165 HydrophobicContact CD1-CG1 3.61Å; I147-V165 HydrophobicContact CD1-CG2 3.85Å; I147-V165 HydrophobicContact CG1-CG1 3.8Å; I147-V165 HydrophobicContact CG1-CG2 3.88Å; I147-V165 HydrophobicContact CG2-CG2 3.62Å; I147-A184 HydrophobicContact CD1-CB 4.23Å; I147-R185 CarbonylContact C-O 3.57Å; I147-R185 VanDerWaalsContact CA-O 3.27Å; I147-R185 WeakPolarHBondContact CA-O 3.32Å; I147-R185 VanDerWaalsContact CB-O 3.3Å; I147-R185 WeakPolarHBondContact CB-O 3.48Å; I147-A191 HydrophobicContact CG2-CB 4.4Å; I147-F205 HydrophobicContact CD1-CD1 3.69Å; I147-F205 HydrophobicContact CD1-CE1 3.38Å; I147-F205 HydrophobicContact CD1-CZ 4.02Å
148	W	97.8	Very high	85.6	Confident	84 Å²	84	70.1 Å²	70.1	32%	0.318	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.7	163.3	177	90.7	0	0	0	109.4	D150 Q161 H162 A184 R185	W148-D150 HydrophobicContact CH2-CB 3.73Å; W148-D150 HydrophobicContact CZ3-CB 4.04Å; W148-Q161 CarbonylContact C-O 3.55Å; W148-Q161 WeakPolarHBondContact CA-O 3.29Å; W148-Q161 VanDerWaalsContact CD1-CG 3.49Å; W148-Q161 HydrophobicContact CG-CG 4.46Å; W148-Q161 VanDerWaalsContact NE1-NE2 3.16Å; W148-H162 AromaticContact CD1-CE1 4Å; W148-A184 CarbonylContact O-C 3.6Å; W148-A184 WeakPolarHBondContact O-CA 3.39Å; W148-R185 HydrophobicContact CE3-CB 4.49Å; W148-R185 PolarHBondContact N-O 3.39Å; W148-R185 PolarHBondContact O-N 2.87Å
149	I	97.6	Very high	87.4	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.7	174.4	64	167.6	0	0	0	111.7	I147 Q151 F156 L159 K160 Q161 E163 I183 A184	I147-I149 HydrophobicContact CD1-CG2 3.68Å; I147-I149 HydrophobicContact CG1-CG2 4.07Å; I149-Q151 PolarHBondContact O-N 2.92Å; I149-F156 HydrophobicContact CB-CD2 3.84Å; I149-F156 HydrophobicContact CB-CE2 4.12Å; I149-F156 HydrophobicContact CB-CG 4.18Å; I149-F156 HydrophobicContact CD1-CB 3.72Å; I149-F156 HydrophobicContact CD1-CD1 4.29Å; I149-F156 HydrophobicContact CD1-CD2 4.41Å; I149-F156 HydrophobicContact CD1-CG 3.9Å; I149-F156 HydrophobicContact CG2-CD2 4.3Å; I149-F156 HydrophobicContact CG2-CE2 4.18Å; I149-F156 HydrophobicContact CG2-CZ 4.33Å; I149-L159 HydrophobicContact CD1-CB 3.58Å; I149-L159 HydrophobicContact CD1-CD1 4.08Å; I149-L159 HydrophobicContact CD1-CG 4.48Å; I149-K160 WeakPolarHBondContact CD1-O 3.49Å; I149-K160 WeakPolarHBondContact CG1-O 3.45Å; I149-Q161 WeakPolarHBondContact CG1-O 3.5Å; I149-Q161 PolarHBondContact N-O 3.03Å; I149-E163 HydrophobicContact CD1-CG 3.85Å; I149-E163 HydrophobicContact CG1-CG 4.48Å; I149-I183 CarbonylContact C-O 3.47Å; I149-I183 WeakPolarHBondContact CA-O 3.45Å; I149-A184 HydrophobicContact CG2-CB 4.01Å
150	D	97	Very high	89.1	Confident	39 Å²	39	65.3 Å²	65.3	21%	0.209	33%	0.325	C	S	.	.			trans	-82.6	103.2	171.2	-176.3	-4.2	0	0	0	109.8	W148 T152 C153 I183	W148-D150 HydrophobicContact CH2-CB 3.73Å; W148-D150 HydrophobicContact CZ3-CB 4.04Å; D150-T152 PolarHBondContact O-N 3.02Å; D150-T152 WeakPolarHBondContact OD1-CB 3.45Å; D150-T152 WeakPolarHBondContact OD1-CG2 3.42Å; D150-T152 PolarHBondContact OD1-N 3.21Å; D150-T152 PolarHBondContact OD1-OG1 2.82Å; D150-T152 PolarHBondContact OD2-OG1 3.3Å; D150-T152 VanDerWaalsContact OD2-OG1 3.14Å; D150-C153 WeakPolarHBondContact O-CB 3.36Å; D150-C153 PolarHBondContact O-N 3.36Å; D150-C153 VanDerWaalsContact O-N 3.1Å; D150-I183 HydrophobicContact CB-CB 4.36Å; D150-I183 PolarHBondContact N-O 2.93Å
151	Q	94.6	Very high	90.6	Very high	102 Å²	102	62.4 Å²	62.4	48%	0.477	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.5	-179.6	-63.5	178.4	-66.6	0	0	113.4	I149 C153 L159	I149-Q151 PolarHBondContact O-N 2.92Å; Q151-C153 VanDerWaalsContact C-N 3.29Å; Q151-L159 PolarHBondContact NE2-O 3.2Å
152	T	94.1	Very high	92.3	Very high	120 Å²	120	65.4 Å²	65.4	74%	0.736	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.9	173.6	72.9	0	0	0	0	112.1	D150	D150-T152 PolarHBondContact O-N 3.02Å; D150-T152 WeakPolarHBondContact OD1-CB 3.45Å; D150-T152 WeakPolarHBondContact OD1-CG2 3.42Å; D150-T152 PolarHBondContact OD1-N 3.21Å; D150-T152 PolarHBondContact OD1-OG1 2.82Å; D150-T152 PolarHBondContact OD2-OG1 3.3Å; D150-T152 VanDerWaalsContact OD2-OG1 3.14Å
153	C	95.9	Very high	93.7	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.041	31%	0.314	C	S	.	.	S	Bend	trans	-70.9	126.6	175.4	-176.6	0	0	0	0	110.5	D150 Q151 L155 F156 I183	D150-C153 WeakPolarHBondContact O-CB 3.36Å; D150-C153 PolarHBondContact O-N 3.36Å; D150-C153 VanDerWaalsContact O-N 3.1Å; Q151-C153 VanDerWaalsContact C-N 3.29Å; C153-L155 PolarHBondContact O-N 3.26Å; C153-L155 VanDerWaalsContact O-N 3.08Å; C153-F156 HydrophobicContact CB-CD2 4.16Å; C153-F156 PolarHBondContact O-N 3.46Å; C153-I183 HydrophobicContact CB-CB 4.1Å; C153-I183 HydrophobicContact CB-CG2 3.82Å
154	P	94.8	Very high	94.5	Very high	47 Å²	47	63.2 Å²	63.2	31%	0.305	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-59.4	-24.9	-179.8	-23.9	32.2	0	0	0	114.4	F156 K157 L226	P154-F156 PolarHBondContact O-N 3.1Å; P154-K157 WeakPolarHBondContact O-CB 3.41Å; P154-K157 PolarHBondContact O-N 3.47Å; P154-L226 HydrophobicContact CB-CD2 3.84Å; P154-L226 HydrophobicContact CG-CD2 4.44Å
155	L	97.2	Very high	95	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.9	-29.8	175.1	-173.8	65.5	0	0	0	112.2	L117 C153 I183 Y201 V203 I218 N221 F222 L226	L117-L155 HydrophobicContact CD1-CD2 4.35Å; C153-L155 PolarHBondContact O-N 3.26Å; C153-L155 VanDerWaalsContact O-N 3.08Å; L155-I183 HydrophobicContact CD2-CD1 4Å; L155-Y201 HydrophobicContact CB-CD1 4.22Å; L155-Y201 HydrophobicContact CD2-CD1 4.36Å; L155-V203 HydrophobicContact CD2-CG1 4.04Å; L155-I218 HydrophobicContact CD1-CG2 3.95Å; L155-I218 HydrophobicContact CG-CG2 4.04Å; L155-N221 WeakPolarHBondContact O-CB 3.45Å; L155-N221 PolarHBondContact O-ND2 2.93Å; L155-F222 HydrophobicContact CD1-CB 3.87Å; L155-L226 HydrophobicContact CB-CD1 4.26Å; L155-L226 HydrophobicContact CD1-CD1 4.15Å
156	F	97.6	Very high	95	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-108.4	20.2	-176.7	-59.4	-41.9	0	0	0	113.5	I149 C153 P154 N158 L159 I183 A184 V203 F205 I218	I149-F156 HydrophobicContact CB-CD2 3.84Å; I149-F156 HydrophobicContact CB-CE2 4.12Å; I149-F156 HydrophobicContact CB-CG 4.18Å; I149-F156 HydrophobicContact CD1-CB 3.72Å; I149-F156 HydrophobicContact CD1-CD1 4.29Å; I149-F156 HydrophobicContact CD1-CD2 4.41Å; I149-F156 HydrophobicContact CD1-CG 3.9Å; I149-F156 HydrophobicContact CG2-CD2 4.3Å; I149-F156 HydrophobicContact CG2-CE2 4.18Å; I149-F156 HydrophobicContact CG2-CZ 4.33Å; C153-F156 HydrophobicContact CB-CD2 4.16Å; C153-F156 PolarHBondContact O-N 3.46Å; P154-F156 PolarHBondContact O-N 3.1Å; F156-N158 PolarHBondContact O-N 3.36Å; F156-L159 HydrophobicContact CB-CD1 4.3Å; F156-L159 HydrophobicContact CD1-CD1 4Å; F156-L159 WeakPolarHBondContact O-CB 3.31Å; F156-L159 PolarHBondContact O-N 2.93Å; F156-I183 HydrophobicContact CD2-CB 4.43Å; F156-I183 HydrophobicContact CD2-CD1 4.41Å; F156-I183 HydrophobicContact CE2-CB 3.91Å; F156-I183 HydrophobicContact CE2-CD1 3.58Å; F156-I183 HydrophobicContact CE2-CG1 3.78Å; F156-I183 VanDerWaalsContact CE2-O 3.28Å; F156-I183 WeakPolarHBondContact CE2-O 3.45Å; F156-I183 HydrophobicContact CZ-CD1 3.97Å; F156-I183 HydrophobicContact CZ-CG1 4.41Å; F156-A184 HydrophobicContact CE2-CB 4.1Å; F156-A184 HydrophobicContact CZ-CB 4.21Å; F156-V203 HydrophobicContact CZ-CG1 4.16Å; F156-F205 HydrophobicContact CE1-CZ 4.02Å; F156-F205 HydrophobicContact CZ-CZ 4.16Å; F156-I218 HydrophobicContact CD1-CG1 4.17Å; F156-I218 HydrophobicContact CE1-CD1 4.26Å; F156-I218 HydrophobicContact CE1-CG1 4.28Å; F156-I218 HydrophobicContact CE1-CG2 4.42Å
157	K	94.4	Very high	94.6	Very high	103 Å²	103	52.3 Å²	52.3	45%	0.448	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	135.9	174.7	-173.7	-179.2	179.6	-178.6	0	110.9	P154 L159 N221	P154-K157 WeakPolarHBondContact O-CB 3.41Å; P154-K157 PolarHBondContact O-N 3.47Å; K157-L159 PolarHBondContact O-N 3.22Å; K157-N221 PolarHBondContact N-ND2 3.24Å; K157-N221 PolarHBondContact O-ND2 3.1Å
158	N	93.6	Very high	93.7	Very high	140 Å²	140	53.7 Å²	53.7	75%	0.749	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	17.9	179.8	-54.3	-33.7	0	0	0	115.8	F156	F156-N158 PolarHBondContact O-N 3.36Å
159	L	96	Very high	92.3	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.073	26%	0.255	C	S	.	.			trans	-99.1	162.4	172.6	-60.7	-173.4	0	0	0	111.7	I149 Q151 F156 K157 E163 T217 I218	I149-L159 HydrophobicContact CD1-CB 3.58Å; I149-L159 HydrophobicContact CD1-CD1 4.08Å; I149-L159 HydrophobicContact CD1-CG 4.48Å; Q151-L159 PolarHBondContact NE2-O 3.2Å; F156-L159 HydrophobicContact CB-CD1 4.3Å; F156-L159 HydrophobicContact CD1-CD1 4Å; F156-L159 WeakPolarHBondContact O-CB 3.31Å; F156-L159 PolarHBondContact O-N 2.93Å; K157-L159 PolarHBondContact O-N 3.22Å; L159-E163 HydrophobicContact CB-CG 4.39Å; L159-T217 HydrophobicContact CD2-CG2 3.65Å; L159-T217 HydrophobicContact CG-CG2 4.4Å; L159-I218 HydrophobicContact CD1-CD1 4.15Å; L159-I218 HydrophobicContact CD1-CG1 3.57Å
160	K	93.7	Very high	91.2	Very high	157 Å²	157	51 Å²	51	68%	0.683	26%	0.263	S	S	*	.			trans	-79.2	157.2	172.4	-62.6	177.7	-178.5	175.8	0	109.3	I149 H162 E163	I149-K160 WeakPolarHBondContact CD1-O 3.49Å; I149-K160 WeakPolarHBondContact CG1-O 3.45Å; K160-H162 PolarHBondContact O-N 3.32Å; K160-E163 WeakPolarHBondContact CB-OE1 3.34Å; K160-E163 PolarHBondContact N-OE1 3.47Å
161	Q	96.2	Very high	90.5	Very high	88 Å²	88	49.7 Å²	49.7	41%	0.411	26%	0.256	S	S	.	.	S	Bend	trans	-61.6	-27.8	178.2	-176.7	174.1	60.2	0	0	113.1	W148 I149	W148-Q161 CarbonylContact C-O 3.55Å; W148-Q161 WeakPolarHBondContact CA-O 3.29Å; W148-Q161 VanDerWaalsContact CD1-CG 3.49Å; W148-Q161 HydrophobicContact CG-CG 4.46Å; W148-Q161 VanDerWaalsContact NE1-NE2 3.16Å; I149-Q161 WeakPolarHBondContact CG1-O 3.5Å; I149-Q161 PolarHBondContact N-O 3.03Å
162	H	97	Very high	90.2	Very high	109 Å²	109	45 Å²	45	51%	0.505	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.3	176.5	-68.7	-77	0	0	0	110.3	T146 I147 W148 K160	T146-H162 HydrophobicContact CG2-CB 3.95Å; I147-H162 VanDerWaalsContact O-CA 3.28Å; I147-H162 WeakPolarHBondContact O-CA 3.46Å; W148-H162 AromaticContact CD1-CE1 4Å; K160-H162 PolarHBondContact O-N 3.32Å
163	E	95.9	Very high	90.1	Very high	19 Å²	19	39.8 Å²	39.8	9%	0.089	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.9	-175.4	-70.1	-65.1	159.4	0	0	111	T146 I147 I149 L159 K160 V165 S214	T146-E163 CarbonylContact C-O 3.51Å; T146-E163 VanDerWaalsContact CA-O 3.31Å; T146-E163 WeakPolarHBondContact CA-O 3.21Å; I147-E163 HydrophobicContact CG1-CB 4.42Å; I147-E163 PolarHBondContact N-O 3.09Å; I147-E163 PolarHBondContact O-N 2.85Å; I149-E163 HydrophobicContact CD1-CG 3.85Å; I149-E163 HydrophobicContact CG1-CG 4.48Å; L159-E163 HydrophobicContact CB-CG 4.39Å; K160-E163 WeakPolarHBondContact CB-OE1 3.34Å; K160-E163 PolarHBondContact N-OE1 3.47Å; E163-V165 HydrophobicContact CB-CG1 4.42Å; E163-S214 VanDerWaalsContact OE2-CB 3.29Å; E163-S214 WeakPolarHBondContact OE2-CB 3.38Å; E163-S214 PolarHBondContact OE2-OG 2.85Å
164	V	92.3	Very high	89.8	Confident	44 Å²	44	44 Å²	44	27%	0.267	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121	175.8	-179.1	0	0	0	0	109.3	Q144 H145 I213	Q144-V164 HydrophobicContact CB-CG1 3.97Å; Q144-V164 HydrophobicContact CG-CG1 4.32Å; H145-V164 WeakPolarHBondContact O-CA 3.24Å; V164-I213 HydrophobicContact CB-CD1 3.87Å; V164-I213 HydrophobicContact CB-CG1 4.29Å; V164-I213 HydrophobicContact CG1-CD1 4.35Å; V164-I213 HydrophobicContact CG2-CD1 4.31Å; V164-I213 PolarHBondContact O-N 3.46Å
165	V	92.8	Very high	89.7	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.7	-174.9	-52.9	0	0	0	0	111.4	Q144 H145 I147 E163 L167 F205 T212	Q144-V165 CarbonylContact C-O 3.53Å; Q144-V165 VanDerWaalsContact CA-O 3.29Å; Q144-V165 WeakPolarHBondContact CA-O 3.31Å; H145-V165 PolarHBondContact N-O 3.44Å; H145-V165 PolarHBondContact O-N 3.43Å; I147-V165 HydrophobicContact CB-CG2 4.38Å; I147-V165 HydrophobicContact CD1-CB 4.39Å; I147-V165 HydrophobicContact CD1-CG1 3.61Å; I147-V165 HydrophobicContact CD1-CG2 3.85Å; I147-V165 HydrophobicContact CG1-CG1 3.8Å; I147-V165 HydrophobicContact CG1-CG2 3.88Å; I147-V165 HydrophobicContact CG2-CG2 3.62Å; E163-V165 HydrophobicContact CB-CG1 4.42Å; V165-L167 HydrophobicContact CG2-CG 4.34Å; V165-F205 HydrophobicContact CB-CB 3.74Å; V165-F205 HydrophobicContact CB-CD1 4.38Å; V165-F205 HydrophobicContact CB-CD2 3.84Å; V165-F205 HydrophobicContact CB-CG 3.73Å; V165-F205 HydrophobicContact CG1-CD1 4.39Å; V165-F205 HydrophobicContact CG1-CD2 3.87Å; V165-F205 HydrophobicContact CG1-CE2 4.1Å; V165-F205 HydrophobicContact CG1-CG 4.03Å; V165-F205 HydrophobicContact CG1-CZ 4.44Å; V165-F205 HydrophobicContact CG2-CB 3.55Å; V165-F205 HydrophobicContact CG2-CD1 4.04Å; V165-F205 HydrophobicContact CG2-CD2 4.36Å; V165-F205 HydrophobicContact CG2-CG 3.74Å; V165-T212 HydrophobicContact CB-CG2 3.98Å; V165-T212 HydrophobicContact CG1-CG2 3.82Å
166	L	88.2	Confident	89.6	Confident	21 Å²	21	50.4 Å²	50.4	11%	0.11	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.5	171.1	-174.8	69.9	0	0	0	110.9	G143 T168 F205 H206 V209 L211 T212	G143-L166 WeakPolarHBondContact O-CA 3.1Å; G143-L166 WeakPolarHBondContact O-CD1 3.18Å; L166-T168 HydrophobicContact CD1-CG2 4.29Å; L166-T168 HydrophobicContact CD2-CG2 4.13Å; L166-T168 HydrophobicContact CG-CG2 4.08Å; L166-F205 VanDerWaalsContact O-CA 3.26Å; L166-F205 WeakPolarHBondContact O-CA 3.48Å; L166-F205 VanDerWaalsContact O-CB 3.25Å; L166-F205 WeakPolarHBondContact O-CB 3.16Å; L166-H206 PolarHBondContact O-N 3.48Å; L166-V209 HydrophobicContact CB-CG2 3.71Å; L166-V209 HydrophobicContact CD2-CB 4.38Å; L166-V209 HydrophobicContact CD2-CG1 4.36Å; L166-V209 HydrophobicContact CD2-CG2 3.6Å; L166-V209 HydrophobicContact CG-CG2 4.28Å; L166-L211 HydrophobicContact CB-CB 3.95Å; L166-L211 HydrophobicContact CD1-CB 4.27Å; L166-L211 HydrophobicContact CD1-CD1 3.81Å; L166-L211 HydrophobicContact CD2-CB 4.39Å; L166-L211 HydrophobicContact CD2-CD1 4.08Å; L166-L211 HydrophobicContact CG-CB 4.41Å; L166-L211 HydrophobicContact CG-CD1 4.44Å; L166-T212 PolarHBondContact N-OG1 2.9Å
167	L	84.6	Confident	89.5	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132	167.9	-66.7	164.9	0	0	0	108.5	E141 D142 G143 H145 V165 Q204 F205	E141-L167 HydrophobicContact CB-CB 4.26Å; E141-L167 CarbonylContact O-C 3.56Å; E141-L167 VanDerWaalsContact O-C 3.3Å; E141-L167 VanDerWaalsContact O-O 3.13Å; E141-L167 WeakPolarHBondContact OE2-CD1 3.33Å; D142-L167 CarbonylContact C-O 3.52Å; D142-L167 WeakPolarHBondContact CA-O 3.19Å; G143-L167 PolarHBondContact N-O 3.44Å; G143-L167 PolarHBondContact O-N 3.45Å; H145-L167 HydrophobicContact CB-CD1 3.8Å; V165-L167 HydrophobicContact CG2-CG 4.34Å; L167-Q204 HydrophobicContact CD2-CB 4.09Å; L167-Q204 HydrophobicContact CD2-CG 3.74Å; L167-F205 HydrophobicContact CD2-CB 3.68Å; L167-F205 HydrophobicContact CG-CB 4.29Å
168	T	75.6	Confident	89.3	Confident	29 Å²	29	49.4 Å²	49.4	18%	0.178	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	79	172.7	52.8	0	0	0	0	109.9	Y54 E141 D142 L166 H206	Y54-T168 PolarHBondContact OH-OG1 3.09Å; E141-T168 VanDerWaalsContact O-CA 3.31Å; E141-T168 WeakPolarHBondContact O-CA 3.41Å; E141-T168 PolarHBondContact O-N 3.26Å; D142-T168 WeakPolarHBondContact OD1-CA 3.43Å; L166-T168 HydrophobicContact CD1-CG2 4.29Å; L166-T168 HydrophobicContact CD2-CG2 4.13Å; L166-T168 HydrophobicContact CG-CG2 4.08Å; T168-H206 PolarHBondContact OG1-CD2 2.69Å; T168-H206 VanDerWaalsContact OG1-CD2 3.23Å; T168-H206 PolarHBondContact OG1-NE2 2.71Å; T168-H206 VanDerWaalsContact OG1-NE2 3.07Å
169	H	69.1	Low	89.2	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.1	-176.5	64.8	95.7	0	0	0	113.1	R140 E141 D171 Q204	R140-H169 WeakPolarHBondContact CA-O 3.22Å; R140-H169 WeakPolarHBondContact CB-O 3.49Å; E141-H169 PolarHBondContact N-O 2.69Å; E141-H169 VanDerWaalsContact N-O 3.17Å; E141-H169 PolarHBondContact O-N 3.12Å; E141-H169 VanDerWaalsContact O-N 3.11Å; E141-H169 IonicContact OE2-NE2 2.92Å; H169-D171 PolarHBondContact ND1-O 3.02Å; H169-Q204 VanDerWaalsContact CD2-CG 3.49Å; H169-Q204 WeakPolarHBondContact CD2-CG 3.34Å; H169-Q204 VanDerWaalsContact NE2-CG 3.35Å; H169-Q204 WeakPolarHBondContact NE2-CG 3.41Å
170	G	74	Confident	89.2	Confident	17 Å²	17	47.4 Å²	47.4	18%	0.175	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-9.7	169	0	0	0	0	0	114.1	K137	K137-G170 PolarHBondContact N-O 3.4Å
171	D	83.8	Confident	89.3	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.064	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.9	-177.5	-67.7	-4.1	0	0	0	109.6	S96 H124 V134 E135 K136 H169	S96-D171 WeakPolarHBondContact CA-OD2 3.5Å; S96-D171 WeakPolarHBondContact CB-OD2 3.29Å; S96-D171 PolarHBondContact OG-OD1 3.3Å; S96-D171 PolarHBondContact OG-OD2 2.9Å; H124-D171 PolarHBondContact CE1-O 2.95Å; H124-D171 VanDerWaalsContact CE1-O 3.28Å; H124-D171 PolarHBondContact NE2-O 3.32Å; V134-D171 HydrophobicContact CG1-CB 3.73Å; E135-D171 CarbonylContact O-C 3.51Å; E135-D171 WeakPolarHBondContact O-CA 3.49Å; K136-D171 WeakPolarHBondContact CA-OD1 3.48Å; K136-D171 WeakPolarHBondContact CB-OD1 3.48Å; K136-D171 WeakPolarHBondContact CG-OD1 3.34Å; H169-D171 PolarHBondContact ND1-O 3.02Å
172	S	87.4	Confident	89.4	Confident	4 Å²	4	42 Å²	42	3%	0.028	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.1	177.4	60	0	0	0	0	110.9	V134 E135 K137 D174	V134-S172 CarbonylContact C-O 3.56Å; V134-S172 WeakPolarHBondContact CA-O 3.41Å; E135-S172 PolarHBondContact N-O 2.83Å; E135-S172 PolarHBondContact O-N 3.2Å; K137-S172 WeakPolarHBondContact CD-OG 3.34Å; K137-S172 WeakPolarHBondContact CE-OG 3.14Å; K137-S172 WeakPolarHBondContact CG-OG 3.34Å; S172-D174 PolarHBondContact O-N 2.65Å
173	I	91.3	Very high	89.4	Confident	11 Å²	11	37 Å²	37	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	127.2	172.6	-65.8	-177.7	0	0	0	109.7	F123 N127 V134 I176 V190 L193	F123-I173 HydrophobicContact CD1-CD1 4.28Å; F123-I173 HydrophobicContact CD2-CD1 4.4Å; F123-I173 HydrophobicContact CE1-CD1 3.47Å; F123-I173 VanDerWaalsContact CE1-CD1 3.47Å; F123-I173 HydrophobicContact CE1-CG1 3.8Å; F123-I173 HydrophobicContact CE2-CD1 3.67Å; F123-I173 HydrophobicContact CZ-CD1 3.15Å; F123-I173 HydrophobicContact CZ-CG1 3.95Å; N127-I173 HydrophobicContact CB-CD1 3.58Å; N127-I173 HydrophobicContact CB-CG1 4.09Å; V134-I173 HydrophobicContact CG2-CG1 4.45Å; I173-I176 HydrophobicContact CG2-CG1 4.03Å; I173-V190 HydrophobicContact CB-CB 4.39Å; I173-V190 HydrophobicContact CD1-CG1 4.35Å; I173-L193 HydrophobicContact CD1-CD1 3.4Å; I173-L193 VanDerWaalsContact CD1-CD1 3.4Å; I173-L193 HydrophobicContact CD1-CG 4.12Å
174	D	90.5	Very high	89.5	Confident	95 Å²	95	36.1 Å²	36.1	51%	0.508	21%	0.206	S	C	.	.	S	Bend	trans	-95.2	-62.8	171.4	163.4	56.5	0	0	0	109.2	T133 E135 S172	T133-D174 PolarHBondContact O-N 3.5Å; T133-D174 PolarHBondContact OG1-OD2 2.85Å; E135-D174 HydrophobicContact CB-CB 4.2Å; E135-D174 HydrophobicContact CG-CB 3.68Å; S172-D174 PolarHBondContact O-N 2.65Å
175	K	93.2	Very high	89.7	Confident	121 Å²	121	38.3 Å²	38.3	53%	0.526	21%	0.209	S	C	.	.	S	Bend	trans	-102.7	126	172.6	-170.2	-176.9	175.2	-173.4	0	111.1	N127 G132 T133	N127-K175 PolarHBondContact ND2-O 3.26Å; G132-K175 CarbonylContact C-O 3.54Å; G132-K175 WeakPolarHBondContact CA-O 3.23Å; T133-K175 HydrophobicContact CG2-CB 4.3Å; T133-K175 PolarHBondContact N-O 2.75Å; T133-K175 PolarHBondContact O-N 2.96Å; T133-K175 WeakPolarHBondContact OG1-CB 3.49Å; T133-K175 PolarHBondContact OG1-N 2.91Å
176	I	95.4	Very high	89.6	Confident	60 Å²	60	38.8 Å²	38.8	31%	0.308	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-73.4	136.6	174.9	-60.9	156.2	0	0	0	109.9	I173 F180 V182 V190 L193	I173-I176 HydrophobicContact CG2-CG1 4.03Å; I176-F180 HydrophobicContact CG2-CB 4.3Å; I176-V182 HydrophobicContact CD1-CG2 3.37Å; I176-V182 HydrophobicContact CG1-CG2 4.24Å; I176-V190 HydrophobicContact CD1-CG2 4.03Å; I176-V190 HydrophobicContact CG1-CG2 4.15Å; I176-L193 HydrophobicContact CG1-CD2 4.4Å; I176-L193 HydrophobicContact CG2-CD1 4.27Å; I176-L193 HydrophobicContact CG2-CD2 3.64Å
177	A	93.9	Very high	89.5	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.017	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-58.4	136.7	173.4	0	0	0	0	0	112.1	N127 F130 F180	N127-A177 PolarHBondContact OD1-N 3.47Å; F130-A177 HydrophobicContact CB-CB 3.6Å; A177-F180 HydrophobicContact CB-CD2 3.74Å; A177-F180 HydrophobicContact CB-CE2 4.32Å; A177-F180 HydrophobicContact CB-CG 4.4Å; A177-F180 PolarHBondContact O-N 3.29Å
178	P	92	Very high	89.5	Confident	81 Å²	81	48.8 Å²	48.8	53%	0.526	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	143	171.3	-26.9	34.6	0	0	0	112.6	F130 F180	F130-P178 WeakPolarHBondContact O-CD 3.11Å; P178-F180 PolarHBondContact O-N 2.74Å
179	S	89.9	Confident	90.2	Very high	97 Å²	97	48.4 Å²	48.4	68%	0.678	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	3.9	-179.7	-39	0	0	0	0	116.3
180	F	96.1	Very high	91.3	Very high	14 Å²	14	48.6 Å²	48.6	6%	0.061	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-96.8	135.6	169.2	-77	-99.8	0	0	0	110.9	I126 F130 I176 A177 P178 L193 N195 I200	I126-F180 HydrophobicContact CG2-CE1 3.63Å; I126-F180 HydrophobicContact CG2-CZ 3.69Å; F130-F180 HydrophobicContact CB-CD2 4.35Å; F130-F180 HydrophobicContact CB-CE2 3.76Å; F130-F180 HydrophobicContact CD1-CE2 4.11Å; F130-F180 AromaticContact CD2-CE2 3.47Å; F130-F180 HydrophobicContact CD2-CE2 3.47Å; F130-F180 VanDerWaalsContact CD2-CE2 3.47Å; F130-F180 AromaticContact CD2-CZ 3.57Å; F130-F180 HydrophobicContact CD2-CZ 3.57Å; F130-F180 HydrophobicContact CE2-CE2 4.07Å; F130-F180 AromaticContact CE2-CZ 3.82Å; F130-F180 HydrophobicContact CE2-CZ 3.82Å; F130-F180 AromaticContact CG-CE2 3.51Å; F130-F180 HydrophobicContact CG-CE2 3.51Å; F130-F180 HydrophobicContact CG-CZ 4.1Å; I176-F180 HydrophobicContact CG2-CB 4.3Å; A177-F180 HydrophobicContact CB-CD2 3.74Å; A177-F180 HydrophobicContact CB-CE2 4.32Å; A177-F180 HydrophobicContact CB-CG 4.4Å; A177-F180 PolarHBondContact O-N 3.29Å; P178-F180 PolarHBondContact O-N 2.74Å; F180-L193 HydrophobicContact CB-CB 4.39Å; F180-L193 HydrophobicContact CB-CD1 4.44Å; F180-L193 HydrophobicContact CB-CD2 4.24Å; F180-L193 HydrophobicContact CD1-CB 3.99Å; F180-N195 HydrophobicContact CD1-CB 3.87Å; F180-N195 HydrophobicContact CD2-CB 4.34Å; F180-N195 HydrophobicContact CE1-CB 3.65Å; F180-N195 HydrophobicContact CE2-CB 4.12Å; F180-N195 HydrophobicContact CG-CB 4.22Å; F180-N195 HydrophobicContact CZ-CB 3.78Å; F180-I200 HydrophobicContact CE1-CB 4.15Å; F180-I200 HydrophobicContact CE1-CG2 3.88Å; F180-I200 HydrophobicContact CZ-CB 4.2Å; F180-I200 HydrophobicContact CZ-CG2 3.95Å
181	N	96.7	Very high	92.3	Very high	111 Å²	111	47.8 Å²	47.8	59%	0.594	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.9	171.1	-66.2	-38.7	0	0	0	109.5	I183 L193 A194	N181-I183 PolarHBondContact O-N 2.73Å; N181-L193 CarbonylContact O-C 3.59Å; N181-L193 WeakPolarHBondContact O-CA 3.37Å; N181-A194 PolarHBondContact N-O 3.28Å; N181-A194 PolarHBondContact O-N 2.9Å
182	V	97.6	Very high	93	Very high	21 Å²	21	47.2 Å²	47.2	13%	0.127	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.2	172.4	-176.1	0	0	0	0	109.7	I176 A184 R185 V190 G192 L193	I176-V182 HydrophobicContact CD1-CG2 3.37Å; I176-V182 HydrophobicContact CG1-CG2 4.24Å; V182-A184 VanDerWaalsContact CG1-O 3.29Å; V182-A184 WeakPolarHBondContact CG1-O 3.45Å; V182-R185 VanDerWaalsContact CB-NH2 3.34Å; V182-R185 HydrophobicContact CG1-CG 4Å; V182-V190 HydrophobicContact CG1-CG1 3.89Å; V182-V190 HydrophobicContact CG2-CG1 4.1Å; V182-V190 HydrophobicContact CG2-CG2 4.3Å; V182-G192 WeakPolarHBondContact CA-O 3.48Å; V182-G192 WeakPolarHBondContact CG1-O 3.28Å; V182-L193 HydrophobicContact CB-CD2 4.39Å; V182-L193 HydrophobicContact CG2-CD2 3.79Å
183	I	97.8	Very high	93.5	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-9.9	-177.6	58.8	164.4	0	0	0	112.8	I149 D150 C153 L155 F156 N181 G192 A194	I149-I183 CarbonylContact C-O 3.47Å; I149-I183 WeakPolarHBondContact CA-O 3.45Å; D150-I183 HydrophobicContact CB-CB 4.36Å; D150-I183 PolarHBondContact N-O 2.93Å; C153-I183 HydrophobicContact CB-CB 4.1Å; C153-I183 HydrophobicContact CB-CG2 3.82Å; L155-I183 HydrophobicContact CD2-CD1 4Å; F156-I183 HydrophobicContact CD2-CB 4.43Å; F156-I183 HydrophobicContact CD2-CD1 4.41Å; F156-I183 HydrophobicContact CE2-CB 3.91Å; F156-I183 HydrophobicContact CE2-CD1 3.58Å; F156-I183 HydrophobicContact CE2-CG1 3.78Å; F156-I183 VanDerWaalsContact CE2-O 3.28Å; F156-I183 WeakPolarHBondContact CE2-O 3.45Å; F156-I183 HydrophobicContact CZ-CD1 3.97Å; F156-I183 HydrophobicContact CZ-CG1 4.41Å; N181-I183 PolarHBondContact O-N 2.73Å; I183-G192 VanDerWaalsContact CG1-C 3.43Å; I183-G192 PolarHBondContact N-O 2.88Å; I183-A194 HydrophobicContact CD1-CB 3.91Å; I183-A194 HydrophobicContact CG1-CB 4.39Å; I183-A194 HydrophobicContact CG2-CB 3.79Å
184	A	97.6	Very high	93.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.4	174.8	0	0	0	0	0	112.6	I147 W148 I149 F156 V182 A191 G192 F205	I147-A184 HydrophobicContact CD1-CB 4.23Å; W148-A184 CarbonylContact O-C 3.6Å; W148-A184 WeakPolarHBondContact O-CA 3.39Å; I149-A184 HydrophobicContact CG2-CB 4.01Å; F156-A184 HydrophobicContact CE2-CB 4.1Å; F156-A184 HydrophobicContact CZ-CB 4.21Å; V182-A184 VanDerWaalsContact CG1-O 3.29Å; V182-A184 WeakPolarHBondContact CG1-O 3.45Å; A184-A191 HydrophobicContact CB-CB 4.06Å; A184-A191 PolarHBondContact O-N 3.38Å; A184-G192 PolarHBondContact N-O 3.4Å; A184-G192 PolarHBondContact O-N 2.94Å; A184-F205 HydrophobicContact CB-CE1 4.46Å
185	R	95.9	Very high	94.1	Very high	90 Å²	90	43.4 Å²	43.4	34%	0.34	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.1	177.9	-73.5	-174.2	174.1	67.3	3.8	113.7	I147 W148 V182 L189	I147-R185 CarbonylContact C-O 3.57Å; I147-R185 VanDerWaalsContact CA-O 3.27Å; I147-R185 WeakPolarHBondContact CA-O 3.32Å; I147-R185 VanDerWaalsContact CB-O 3.3Å; I147-R185 WeakPolarHBondContact CB-O 3.48Å; W148-R185 HydrophobicContact CE3-CB 4.49Å; W148-R185 PolarHBondContact N-O 3.39Å; W148-R185 PolarHBondContact O-N 2.87Å; V182-R185 VanDerWaalsContact CB-NH2 3.34Å; V182-R185 HydrophobicContact CG1-CG 4Å; R185-L189 CarbonylContact C-O 3.4Å; R185-L189 WeakPolarHBondContact CA-O 3.36Å
186	S	90.5	Very high	94.1	Very high	10 Å²	10	40.9 Å²	40.9	7%	0.07	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	93.4	167.4	-170.6	0	0	0	0	108.2	D188 L189	S186-D188 PolarHBondContact O-N 2.92Å; S186-D188 VanDerWaalsContact O-N 3.17Å; S186-L189 PolarHBondContact N-O 3.33Å; S186-L189 WeakPolarHBondContact O-CB 3.32Å; S186-L189 PolarHBondContact O-N 3.4Å
187	G	87.5	Confident	93.9	Very high	66 Å²	66	45.9 Å²	45.9	68%	0.68	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-121.4	-165.9	0	0	0	0	0	110.9	L189	G187-L189 VanDerWaalsContact C-N 3.33Å
188	D	84.4	Confident	93.9	Very high	167 Å²	167	47.9 Å²	47.9	89%	0.893	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.6	177.8	-61.7	-36.7	0	0	0	113.6	S186	S186-D188 PolarHBondContact O-N 2.92Å; S186-D188 VanDerWaalsContact O-N 3.17Å
189	L	89.1	Confident	94	Very high	20 Å²	20	44.7 Å²	44.7	11%	0.105	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.9	-177.7	-75.1	170.6	0	0	0	111.8	K137 E141 R185 S186 G187 A191	K137-L189 HydrophobicContact CD-CD2 4.1Å; E141-L189 HydrophobicContact CG-CD1 4.29Å; E141-L189 WeakPolarHBondContact OE1-CD1 3.45Å; E141-L189 WeakPolarHBondContact OE2-CD1 3.45Å; R185-L189 CarbonylContact C-O 3.4Å; R185-L189 WeakPolarHBondContact CA-O 3.36Å; S186-L189 PolarHBondContact N-O 3.33Å; S186-L189 WeakPolarHBondContact O-CB 3.32Å; S186-L189 PolarHBondContact O-N 3.4Å; G187-L189 VanDerWaalsContact C-N 3.33Å; L189-A191 PolarHBondContact O-N 2.87Å
190	V	93.8	Very high	94.4	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.097	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	112.1	169.9	-179.2	0	0	0	0	108.4	F123 I173 I176 V182 L193	F123-V190 HydrophobicContact CZ-CG1 4.09Å; I173-V190 HydrophobicContact CB-CB 4.39Å; I173-V190 HydrophobicContact CD1-CG1 4.35Å; I176-V190 HydrophobicContact CD1-CG2 4.03Å; I176-V190 HydrophobicContact CG1-CG2 4.15Å; V182-V190 HydrophobicContact CG1-CG1 3.89Å; V182-V190 HydrophobicContact CG2-CG1 4.1Å; V182-V190 HydrophobicContact CG2-CG2 4.3Å; V190-L193 HydrophobicContact CG1-CD2 3.82Å; V190-L193 HydrophobicContact CG1-CG 4Å
191	A	95.1	Very high	94.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-7.7	-178.8	0	0	0	0	0	113.1	I147 A184 L189 V203 Q204 F205	I147-A191 HydrophobicContact CG2-CB 4.4Å; A184-A191 HydrophobicContact CB-CB 4.06Å; A184-A191 PolarHBondContact O-N 3.38Å; L189-A191 PolarHBondContact O-N 2.87Å; A191-V203 CarbonylContact O-C 3.58Å; A191-V203 WeakPolarHBondContact O-CA 3.3Å; A191-Q204 HydrophobicContact CB-CB 4.4Å; A191-Q204 PolarHBondContact O-N 3.39Å; A191-F205 HydrophobicContact CB-CD1 4.45Å
192	G	97.7	Very high	94.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	145.1	175.7	0	0	0	0	0	113.5	V182 I183 A184 G202	V182-G192 WeakPolarHBondContact CA-O 3.48Å; V182-G192 WeakPolarHBondContact CG1-O 3.28Å; I183-G192 VanDerWaalsContact CG1-C 3.43Å; I183-G192 PolarHBondContact N-O 2.88Å; A184-G192 PolarHBondContact N-O 3.4Å; A184-G192 PolarHBondContact O-N 2.94Å; G192-G202 CarbonylContact C-O 3.53Å; G192-G202 WeakPolarHBondContact CA-O 3.43Å
193	L	97.9	Very high	94.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147	179.5	-72.4	-179.7	0	0	0	110	F123 N127 I173 I176 F180 N181 V182 V190 G202	F123-L193 HydrophobicContact CE2-CB 3.95Å; F123-L193 HydrophobicContact CE2-CD1 4.1Å; F123-L193 HydrophobicContact CE2-CG 3.74Å; F123-L193 HydrophobicContact CZ-CG 4.37Å; N127-L193 HydrophobicContact CB-CD1 4.11Å; N127-L193 WeakPolarHBondContact OD1-CD1 3.27Å; I173-L193 HydrophobicContact CD1-CD1 3.4Å; I173-L193 VanDerWaalsContact CD1-CD1 3.4Å; I173-L193 HydrophobicContact CD1-CG 4.12Å; I176-L193 HydrophobicContact CG1-CD2 4.4Å; I176-L193 HydrophobicContact CG2-CD1 4.27Å; I176-L193 HydrophobicContact CG2-CD2 3.64Å; F180-L193 HydrophobicContact CB-CB 4.39Å; F180-L193 HydrophobicContact CB-CD1 4.44Å; F180-L193 HydrophobicContact CB-CD2 4.24Å; F180-L193 HydrophobicContact CD1-CB 3.99Å; N181-L193 CarbonylContact O-C 3.59Å; N181-L193 WeakPolarHBondContact O-CA 3.37Å; V182-L193 HydrophobicContact CB-CD2 4.39Å; V182-L193 HydrophobicContact CG2-CD2 3.79Å; V190-L193 HydrophobicContact CG1-CD2 3.82Å; V190-L193 HydrophobicContact CG1-CG 4Å; L193-G202 PolarHBondContact N-O 2.78Å; L193-G202 PolarHBondContact O-N 3.16Å
194	A	97.9	Very high	94.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139.8	169.5	0	0	0	0	0	112.5	N181 I183 V196 I200 Y201	N181-A194 PolarHBondContact N-O 3.28Å; N181-A194 PolarHBondContact O-N 2.9Å; I183-A194 HydrophobicContact CD1-CB 3.91Å; I183-A194 HydrophobicContact CG1-CB 4.39Å; I183-A194 HydrophobicContact CG2-CB 3.79Å; A194-V196 HydrophobicContact CB-CG2 4.31Å; A194-I200 WeakPolarHBondContact CA-O 3.21Å; A194-Y201 HydrophobicContact CB-CD1 3.61Å; A194-Y201 HydrophobicContact CB-CE1 3.9Å
195	N	97.1	Very high	94.2	Very high	27 Å²	27	33.4 Å²	33.4	14%	0.144	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	92.9	157	-176.4	-23.3	0	0	0	107.1	F180 N197 A198 G199 I200	F180-N195 HydrophobicContact CD1-CB 3.87Å; F180-N195 HydrophobicContact CD2-CB 4.34Å; F180-N195 HydrophobicContact CE1-CB 3.65Å; F180-N195 HydrophobicContact CE2-CB 4.12Å; F180-N195 HydrophobicContact CG-CB 4.22Å; F180-N195 HydrophobicContact CZ-CB 3.78Å; N195-N197 VanDerWaalsContact C-N 3.27Å; N195-N197 PolarHBondContact O-N 3.43Å; N195-N197 PolarHBondContact OD1-N 2.78Å; N195-A198 HydrophobicContact CB-CB 4.13Å; N195-A198 PolarHBondContact O-N 3.33Å; N195-A198 PolarHBondContact OD1-N 2.54Å; N195-A198 VanDerWaalsContact OD1-N 3.08Å; N195-G199 PolarHBondContact O-N 3.25Å; N195-I200 PolarHBondContact N-O 3.4Å; N195-I200 PolarHBondContact O-N 3.12Å; N195-I200 VanDerWaalsContact O-N 3.09Å
196	V	92.7	Very high	94.1	Very high	69 Å²	69	29.1 Å²	29.1	42%	0.418	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.7	-174.5	179.4	0	0	0	0	111.4	A194 A198 G199 Y201	A194-V196 HydrophobicContact CB-CG2 4.31Å; V196-A198 VanDerWaalsContact C-N 3.34Å; V196-A198 PolarHBondContact O-N 3.19Å; V196-G199 PolarHBondContact O-N 3.47Å; V196-Y201 HydrophobicContact CG2-CE1 4.29Å
197	N	91.3	Very high	94.3	Very high	165 Å²	165	28.7 Å²	28.7	88%	0.882	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-34.8	179.8	-66.7	-21.7	0	0	0	112.3	N195 G199	N195-N197 VanDerWaalsContact C-N 3.27Å; N195-N197 PolarHBondContact O-N 3.43Å; N195-N197 PolarHBondContact OD1-N 2.78Å; N197-G199 VanDerWaalsContact C-N 3.34Å
198	A	92.9	Very high	94.5	Very high	44 Å²	44	25.6 Å²	25.6	36%	0.364	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.5	175.8	0	0	0	0	0	113.3	N195 V196 I200	N195-A198 HydrophobicContact CB-CB 4.13Å; N195-A198 PolarHBondContact O-N 3.33Å; N195-A198 PolarHBondContact OD1-N 2.54Å; N195-A198 VanDerWaalsContact OD1-N 3.08Å; V196-A198 VanDerWaalsContact C-N 3.34Å; V196-A198 PolarHBondContact O-N 3.19Å; A198-I200 VanDerWaalsContact C-N 3.29Å; A198-I200 HydrophobicContact CB-CD1 3.84Å; A198-I200 HydrophobicContact CB-CG1 3.92Å; A198-I200 PolarHBondContact O-N 3.2Å
199	G	95.4	Very high	94.6	Very high	14 Å²	14	19 Å²	19	14%	0.144	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	26.5	-173.9	0	0	0	0	0	113.7	P115 V116 N195 V196 N197 Y201	P115-G199 CarbonylContact C-O 3.56Å; P115-G199 VanDerWaalsContact CA-O 3.25Å; P115-G199 WeakPolarHBondContact CA-O 3.49Å; V116-G199 PolarHBondContact N-O 2.84Å; N195-G199 PolarHBondContact O-N 3.25Å; V196-G199 PolarHBondContact O-N 3.47Å; N197-G199 VanDerWaalsContact C-N 3.34Å; G199-Y201 VanDerWaalsContact C-CE2 3.43Å; G199-Y201 WeakPolarHBondContact O-CD2 3.38Å
200	I	97.9	Very high	94.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.3	-175.6	-54.6	173.1	0	0	0	109.7	F110 I126 F130 F180 A194 N195 A198	F110-I200 HydrophobicContact CB-CD1 4.11Å; F110-I200 WeakPolarHBondContact O-CD1 3.28Å; I126-I200 HydrophobicContact CD1-CG2 3.86Å; I126-I200 HydrophobicContact CG1-CG2 4.05Å; I126-I200 HydrophobicContact CG2-CG2 3.68Å; F130-I200 HydrophobicContact CE2-CD1 3.61Å; F130-I200 HydrophobicContact CZ-CD1 3.44Å; F130-I200 VanDerWaalsContact CZ-CD1 3.44Å; F180-I200 HydrophobicContact CE1-CB 4.15Å; F180-I200 HydrophobicContact CE1-CG2 3.88Å; F180-I200 HydrophobicContact CZ-CB 4.2Å; F180-I200 HydrophobicContact CZ-CG2 3.95Å; A194-I200 WeakPolarHBondContact CA-O 3.21Å; N195-I200 PolarHBondContact N-O 3.4Å; N195-I200 PolarHBondContact O-N 3.12Å; N195-I200 VanDerWaalsContact O-N 3.09Å; A198-I200 VanDerWaalsContact C-N 3.29Å; A198-I200 HydrophobicContact CB-CD1 3.84Å; A198-I200 HydrophobicContact CB-CG1 3.92Å; A198-I200 PolarHBondContact O-N 3.2Å
201	Y	98.5	Very high	93.9	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.4	-176.6	-56.4	-92.3	0	0	0	109.4	V116 L117 G118 I126 L155 A194 V196 G199 F222 L226	V116-Y201 PolarHBondContact O-N 2.98Å; L117-Y201 CarbonylContact C-O 3.5Å; L117-Y201 VanDerWaalsContact CA-O 3.29Å; L117-Y201 WeakPolarHBondContact CA-O 3.32Å; G118-Y201 PolarHBondContact N-O 3.37Å; I126-Y201 WeakPolarHBondContact CD1-O 3.19Å; L155-Y201 HydrophobicContact CB-CD1 4.22Å; L155-Y201 HydrophobicContact CD2-CD1 4.36Å; A194-Y201 HydrophobicContact CB-CD1 3.61Å; A194-Y201 HydrophobicContact CB-CE1 3.9Å; V196-Y201 HydrophobicContact CG2-CE1 4.29Å; G199-Y201 VanDerWaalsContact C-CE2 3.43Å; G199-Y201 WeakPolarHBondContact O-CD2 3.38Å; Y201-F222 HydrophobicContact CD2-CD2 4.45Å; Y201-F222 HydrophobicContact CD2-CE2 4.32Å; Y201-L226 HydrophobicContact CD1-CD1 4.21Å; Y201-L226 HydrophobicContact CD2-CD1 4.01Å; Y201-L226 HydrophobicContact CE1-CD1 3.84Å; Y201-L226 HydrophobicContact CE2-CB 4.5Å; Y201-L226 HydrophobicContact CE2-CD1 3.63Å; Y201-L226 HydrophobicContact CE2-CD2 4.19Å; Y201-L226 HydrophobicContact CE2-CG 4.32Å; Y201-L226 HydrophobicContact CG-CD1 4.3Å; Y201-L226 VanDerWaalsContact OH-CD2 3.22Å; Y201-L226 WeakPolarHBondContact OH-CD2 3.19Å
202	G	97.8	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.9	171.1	0	0	0	0	0	112.2	G118 G192 L193	G118-G202 CarbonylContact O-C 3.58Å; G118-G202 WeakPolarHBondContact O-CA 3.49Å; G192-G202 CarbonylContact C-O 3.53Å; G192-G202 WeakPolarHBondContact CA-O 3.43Å; L193-G202 PolarHBondContact N-O 2.78Å; L193-G202 PolarHBondContact O-N 3.16Å
203	V	97.9	Very high	93.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.9	178.2	-67.1	0	0	0	0	110.4	L117 G118 I119 C120 F123 L155 F156 A191 F205 P207	L117-V203 HydrophobicContact CD1-CG2 4.45Å; G118-V203 PolarHBondContact O-N 3.13Å; I119-V203 HydrophobicContact CG1-CG2 4.16Å; C120-V203 PolarHBondContact N-O 3.42Å; F123-V203 VanDerWaalsContact CB-O 3.24Å; F123-V203 WeakPolarHBondContact CB-O 3.29Å; L155-V203 HydrophobicContact CD2-CG1 4.04Å; F156-V203 HydrophobicContact CZ-CG1 4.16Å; A191-V203 CarbonylContact O-C 3.58Å; A191-V203 WeakPolarHBondContact O-CA 3.3Å; V203-F205 VanDerWaalsContact C-N 3.34Å; V203-F205 HydrophobicContact CB-CD1 4.07Å; V203-F205 HydrophobicContact CB-CD2 4.41Å; V203-F205 HydrophobicContact CB-CE1 3.73Å; V203-F205 HydrophobicContact CB-CE2 4.09Å; V203-F205 HydrophobicContact CB-CG 4.41Å; V203-F205 HydrophobicContact CB-CZ 3.75Å; V203-F205 HydrophobicContact CG1-CE1 3.8Å; V203-F205 HydrophobicContact CG1-CE2 4.22Å; V203-F205 HydrophobicContact CG1-CZ 3.57Å; V203-F205 HydrophobicContact CG2-CE2 4.29Å; V203-F205 HydrophobicContact CG2-CZ 4.41Å; V203-P207 HydrophobicContact CG2-CG 4.26Å
204	Q	94.6	Very high	93.1	Very high	2 Å²	2	33 Å²	33	1%	0.009	19%	0.189	C	C	.	.	S	Bend	trans	-72.5	-31.9	177.9	-177	60.7	79.4	0	0	112.1	F123 H124 L167 H169 A191	F123-Q204 HydrophobicContact CD1-CB 3.92Å; F123-Q204 HydrophobicContact CE1-CB 3.71Å; F123-Q204 HydrophobicContact CE1-CG 4.3Å; F123-Q204 VanDerWaalsContact CE1-OE1 3.27Å; F123-Q204 HydrophobicContact CZ-CB 4.31Å; H124-Q204 PolarHBondContact NE2-NE2 2.83Å; H124-Q204 PolarHBondContact NE2-OE1 2.89Å; L167-Q204 HydrophobicContact CD2-CB 4.09Å; L167-Q204 HydrophobicContact CD2-CG 3.74Å; H169-Q204 VanDerWaalsContact CD2-CG 3.49Å; H169-Q204 WeakPolarHBondContact CD2-CG 3.34Å; H169-Q204 VanDerWaalsContact NE2-CG 3.35Å; H169-Q204 WeakPolarHBondContact NE2-CG 3.41Å; A191-Q204 HydrophobicContact CB-CB 4.4Å; A191-Q204 PolarHBondContact O-N 3.39Å
205	F	93.1	Very high	92.9	Very high	1 Å²	1	33 Å²	33	0%	0.004	19%	0.189	C	C	.	.	S	Bend	trans	-86.5	168.5	-179.3	58.4	-93.2	0	0	0	111.9	I147 F156 V165 L166 L167 A184 A191 V203 P207 T212 I218	I147-F205 HydrophobicContact CD1-CD1 3.69Å; I147-F205 HydrophobicContact CD1-CE1 3.38Å; I147-F205 HydrophobicContact CD1-CZ 4.02Å; F156-F205 HydrophobicContact CE1-CZ 4.02Å; F156-F205 HydrophobicContact CZ-CZ 4.16Å; V165-F205 HydrophobicContact CB-CB 3.74Å; V165-F205 HydrophobicContact CB-CD1 4.38Å; V165-F205 HydrophobicContact CB-CD2 3.84Å; V165-F205 HydrophobicContact CB-CG 3.73Å; V165-F205 HydrophobicContact CG1-CD1 4.39Å; V165-F205 HydrophobicContact CG1-CD2 3.87Å; V165-F205 HydrophobicContact CG1-CE2 4.1Å; V165-F205 HydrophobicContact CG1-CG 4.03Å; V165-F205 HydrophobicContact CG1-CZ 4.44Å; V165-F205 HydrophobicContact CG2-CB 3.55Å; V165-F205 HydrophobicContact CG2-CD1 4.04Å; V165-F205 HydrophobicContact CG2-CD2 4.36Å; V165-F205 HydrophobicContact CG2-CG 3.74Å; L166-F205 VanDerWaalsContact O-CA 3.26Å; L166-F205 WeakPolarHBondContact O-CA 3.48Å; L166-F205 VanDerWaalsContact O-CB 3.25Å; L166-F205 WeakPolarHBondContact O-CB 3.16Å; L167-F205 HydrophobicContact CD2-CB 3.68Å; L167-F205 HydrophobicContact CG-CB 4.29Å; A184-F205 HydrophobicContact CB-CE1 4.46Å; A191-F205 HydrophobicContact CB-CD1 4.45Å; V203-F205 VanDerWaalsContact C-N 3.34Å; V203-F205 HydrophobicContact CB-CD1 4.07Å; V203-F205 HydrophobicContact CB-CD2 4.41Å; V203-F205 HydrophobicContact CB-CE1 3.73Å; V203-F205 HydrophobicContact CB-CE2 4.09Å; V203-F205 HydrophobicContact CB-CG 4.41Å; V203-F205 HydrophobicContact CB-CZ 3.75Å; V203-F205 HydrophobicContact CG1-CE1 3.8Å; V203-F205 HydrophobicContact CG1-CE2 4.22Å; V203-F205 HydrophobicContact CG1-CZ 3.57Å; V203-F205 HydrophobicContact CG2-CE2 4.29Å; V203-F205 HydrophobicContact CG2-CZ 4.41Å; F205-P207 HydrophobicContact CE2-CB 4.42Å; F205-P207 WeakPolarHBondContact O-CD 3.47Å; F205-T212 HydrophobicContact CD2-CG2 4.28Å; F205-I218 HydrophobicContact CE2-CD1 3.71Å; F205-I218 HydrophobicContact CZ-CD1 4.11Å
206	H	92.4	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.			trans	-101.4	94.7	-176.1	-71.7	-86.4	0	0	0	111.6	Y54 C120 L166 T168 E208 V209 T212	Y54-H206 AromaticContact CD1-CE1 3.51Å; Y54-H206 AromaticContact CD1-ND1 3.41Å; Y54-H206 WeakPolarHBondContact CD1-ND1 3.37Å; Y54-H206 AromaticContact CE1-CE1 3.31Å; Y54-H206 WeakPolarHBondContact CE1-CE1 3.4Å; Y54-H206 AromaticContact CE1-ND1 3.47Å; Y54-H206 WeakPolarHBondContact CE1-ND1 3.26Å; Y54-H206 AromaticContact CE1-NE2 3.86Å; Y54-H206 AromaticContact CG-CE1 3.96Å; Y54-H206 AromaticContact CZ-CE1 3.62Å; Y54-H206 AromaticContact CZ-NE2 3.95Å; C120-H206 WeakPolarHBondContact CB-NE2 3.35Å; L166-H206 PolarHBondContact O-N 3.48Å; T168-H206 PolarHBondContact OG1-CD2 2.69Å; T168-H206 VanDerWaalsContact OG1-CD2 3.23Å; T168-H206 PolarHBondContact OG1-NE2 2.71Å; T168-H206 VanDerWaalsContact OG1-NE2 3.07Å; H206-E208 WeakPolarHBondContact CA-OE2 3.25Å; H206-E208 WeakPolarHBondContact CB-OE2 3.48Å; H206-E208 IonicContact CE1-OE1 2.77Å; H206-E208 IonicContact CG-OE1 3.51Å; H206-E208 IonicContact ND1-OE1 3.92Å; H206-E208 PolarHBondContact ND1-OE1 3.04Å; H206-E208 IonicContact ND1-OE2 3.43Å; H206-E208 PolarHBondContact O-N 3.3Å; H206-V209 HydrophobicContact CB-CG1 4.34Å; H206-V209 HydrophobicContact CB-CG2 3.94Å; H206-V209 WeakPolarHBondContact O-CG2 3.34Å; H206-T212 VanDerWaalsContact O-CB 3.24Å; H206-T212 WeakPolarHBondContact O-CB 3.17Å; H206-T212 PolarHBondContact O-OG1 2.91Å
207	P	94.5	Very high	93	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.013	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.5	177.4	30.1	-37.3	0	0	0	113.6	I119 V203 F205 G215 I218 L219	I119-P207 HydrophobicContact CD1-CG 3.82Å; I119-P207 HydrophobicContact CG1-CG 4.24Å; V203-P207 HydrophobicContact CG2-CG 4.26Å; F205-P207 HydrophobicContact CE2-CB 4.42Å; F205-P207 WeakPolarHBondContact O-CD 3.47Å; P207-G215 CarbonylContact O-C 3.53Å; P207-G215 VanDerWaalsContact O-C 3.31Å; P207-G215 WeakPolarHBondContact O-CA 3.12Å; P207-I218 HydrophobicContact CB-CB 4.3Å; P207-I218 HydrophobicContact CB-CD1 4.43Å; P207-I218 HydrophobicContact CB-CG2 4.2Å; P207-L219 HydrophobicContact CB-CG 4.35Å; P207-L219 HydrophobicContact CG-CD2 4.28Å
208	E	92.1	Very high	93.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-18.4	-176.9	71.5	-85.1	-157.9	0	0	114	Y54 V57 I58 R61 H206	Y54-E208 WeakPolarHBondContact CD1-OE1 3.27Å; V57-E208 HydrophobicContact CB-CB 4.44Å; V57-E208 HydrophobicContact CB-CG 3.94Å; V57-E208 HydrophobicContact CG1-CB 3.91Å; V57-E208 HydrophobicContact CG1-CG 3.72Å; V57-E208 WeakPolarHBondContact CG1-O 3.41Å; I58-E208 HydrophobicContact CG1-CB 3.8Å; I58-E208 HydrophobicContact CG1-CG 3.78Å; R61-E208 HydrophobicContact CG-CB 4.16Å; R61-E208 VanDerWaalsContact CG-O 3.26Å; R61-E208 WeakPolarHBondContact CG-O 3.45Å; R61-E208 PolarHBondContact NE-O 2.89Å; H206-E208 WeakPolarHBondContact CA-OE2 3.25Å; H206-E208 WeakPolarHBondContact CB-OE2 3.48Å; H206-E208 IonicContact CE1-OE1 2.77Å; H206-E208 IonicContact CG-OE1 3.51Å; H206-E208 IonicContact ND1-OE1 3.92Å; H206-E208 PolarHBondContact ND1-OE1 3.04Å; H206-E208 IonicContact ND1-OE2 3.43Å; H206-E208 PolarHBondContact O-N 3.3Å
209	V	87.7	Confident	93.6	Very high	29 Å²	29	25.7 Å²	25.7	18%	0.176	14%	0.138	C	C	.	.	S	Bend	trans	-92.9	151.9	-177.1	-62	0	0	0	0	112.5	L166 H206 L211 T212	L166-V209 HydrophobicContact CB-CG2 3.71Å; L166-V209 HydrophobicContact CD2-CB 4.38Å; L166-V209 HydrophobicContact CD2-CG1 4.36Å; L166-V209 HydrophobicContact CD2-CG2 3.6Å; L166-V209 HydrophobicContact CG-CG2 4.28Å; H206-V209 HydrophobicContact CB-CG1 4.34Å; H206-V209 HydrophobicContact CB-CG2 3.94Å; H206-V209 WeakPolarHBondContact O-CG2 3.34Å; V209-L211 HydrophobicContact CG2-CB 4.19Å; V209-L211 PolarHBondContact O-N 3.32Å; V209-T212 PolarHBondContact O-N 3.48Å; V209-T212 VanDerWaalsContact O-N 3.09Å
210	D	83.6	Confident	93.7	Very high	106 Å²	106	28 Å²	28	57%	0.567	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.4	176.7	-68.6	-54.4	0	0	0	113.3	R61 T212	R61-D210 IonicContact CZ-OD1 3.51Å; R61-D210 IonicContact NH1-OD1 3.8Å; R61-D210 IonicContact NH2-OD1 2.87Å; R61-D210 PolarHBondContact NH2-OD1 3.31Å; R61-D210 IonicContact NH2-OD2 3.39Å; R61-D210 PolarHBondContact NH2-OD2 2.91Å; D210-T212 PolarHBondContact O-N 2.91Å
211	L	84.7	Confident	93.7	Very high	84 Å²	84	28.4 Å²	28.4	44%	0.44	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.5	177.7	-67.7	174.5	0	0	0	112.7	Q144 L166 V209	Q144-L211 HydrophobicContact CG-CB 4.02Å; Q144-L211 HydrophobicContact CG-CD2 4.29Å; Q144-L211 PolarHBondContact NE2-O 3.27Å; L166-L211 HydrophobicContact CB-CB 3.95Å; L166-L211 HydrophobicContact CD1-CB 4.27Å; L166-L211 HydrophobicContact CD1-CD1 3.81Å; L166-L211 HydrophobicContact CD2-CB 4.39Å; L166-L211 HydrophobicContact CD2-CD1 4.08Å; L166-L211 HydrophobicContact CG-CB 4.41Å; L166-L211 HydrophobicContact CG-CD1 4.44Å; V209-L211 HydrophobicContact CG2-CB 4.19Å; V209-L211 PolarHBondContact O-N 3.32Å
212	T	90.2	Very high	93.7	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.025	15%	0.146	C	C	.	.	S	Bend	trans	-96.6	98.1	167.7	-61.3	0	0	0	0	108.5	V165 L166 F205 H206 V209 D210 S214 G215	V165-T212 HydrophobicContact CB-CG2 3.98Å; V165-T212 HydrophobicContact CG1-CG2 3.82Å; L166-T212 PolarHBondContact N-OG1 2.9Å; F205-T212 HydrophobicContact CD2-CG2 4.28Å; H206-T212 VanDerWaalsContact O-CB 3.24Å; H206-T212 WeakPolarHBondContact O-CB 3.17Å; H206-T212 PolarHBondContact O-OG1 2.91Å; V209-T212 PolarHBondContact O-N 3.48Å; V209-T212 VanDerWaalsContact O-N 3.09Å; D210-T212 PolarHBondContact O-N 2.91Å; T212-S214 VanDerWaalsContact C-N 3.28Å; T212-S214 PolarHBondContact O-N 3.04Å; T212-G215 PolarHBondContact O-N 2.9Å
213	I	89	Confident	93.7	Very high	121 Å²	121	28.1 Å²	28.1	62%	0.621	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-44.8	-166.8	-59.5	179.7	0	0	0	111.6	V164 G215	V164-I213 HydrophobicContact CB-CD1 3.87Å; V164-I213 HydrophobicContact CB-CG1 4.29Å; V164-I213 HydrophobicContact CG1-CD1 4.35Å; V164-I213 HydrophobicContact CG2-CD1 4.31Å; V164-I213 PolarHBondContact O-N 3.46Å; I213-G215 VanDerWaalsContact C-N 3.35Å
214	S	94.5	Very high	93.6	Very high	18 Å²	18	31.1 Å²	31.1	13%	0.126	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.6	-178.3	-64.6	0	0	0	0	113.5	E163 T212 K216 T217 I218	E163-S214 VanDerWaalsContact OE2-CB 3.29Å; E163-S214 WeakPolarHBondContact OE2-CB 3.38Å; E163-S214 PolarHBondContact OE2-OG 2.85Å; T212-S214 VanDerWaalsContact C-N 3.28Å; T212-S214 PolarHBondContact O-N 3.04Å; S214-K216 VanDerWaalsContact C-N 3.35Å; S214-K216 PolarHBondContact O-N 3.35Å; S214-T217 WeakPolarHBondContact O-CB 3.33Å; S214-T217 PolarHBondContact O-N 3.24Å; S214-T217 VanDerWaalsContact O-N 3.1Å; S214-I218 WeakPolarHBondContact O-CG1 3.4Å; S214-I218 PolarHBondContact O-N 2.91Å; S214-I218 VanDerWaalsContact O-N 3.14Å
215	G	94.2	Very high	93.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-39.2	-172.9	0	0	0	0	0	113.8	P207 T212 I213 T217 I218 L219	P207-G215 CarbonylContact O-C 3.53Å; P207-G215 VanDerWaalsContact O-C 3.31Å; P207-G215 WeakPolarHBondContact O-CA 3.12Å; T212-G215 PolarHBondContact O-N 2.9Å; I213-G215 VanDerWaalsContact C-N 3.35Å; G215-T217 VanDerWaalsContact C-N 3.33Å; G215-T217 PolarHBondContact O-N 3.3Å; G215-I218 WeakPolarHBondContact O-CB 3.47Å; G215-I218 PolarHBondContact O-N 3.08Å; G215-L219 PolarHBondContact O-N 3.42Å
216	K	94.1	Very high	93.7	Very high	106 Å²	106	36 Å²	36	46%	0.461	19%	0.189	S	C	.	.	H	α-helix	trans	-58.9	-43	174.3	-174.1	173.4	-177.5	171.3	0	112	L65 S214 L219 Q220	L65-K216 HydrophobicContact CD2-CD 4.32Å; L65-K216 HydrophobicContact CD2-CG 3.93Å; S214-K216 VanDerWaalsContact C-N 3.35Å; S214-K216 PolarHBondContact O-N 3.35Å; K216-L219 PolarHBondContact O-N 2.95Å; K216-Q220 VanDerWaalsContact O-CG 3.28Å; K216-Q220 WeakPolarHBondContact O-CG 3.02Å; K216-Q220 PolarHBondContact O-N 3.41Å
217	T	96.8	Very high	93.9	Very high	42 Å²	42	36.6 Å²	36.6	26%	0.258	19%	0.194	S	C	.	.	H	α-helix	trans	-66.5	-38.5	178.7	-50.4	0	0	0	0	111.6	L159 S214 G215 Q220 N221	L159-T217 HydrophobicContact CD2-CG2 3.65Å; L159-T217 HydrophobicContact CG-CG2 4.4Å; S214-T217 WeakPolarHBondContact O-CB 3.33Å; S214-T217 PolarHBondContact O-N 3.24Å; S214-T217 VanDerWaalsContact O-N 3.1Å; G215-T217 VanDerWaalsContact C-N 3.33Å; G215-T217 PolarHBondContact O-N 3.3Å; T217-Q220 WeakPolarHBondContact O-CB 3.2Å; T217-Q220 PolarHBondContact O-N 3.42Å; T217-N221 VanDerWaalsContact O-CG 3.26Å; T217-N221 PolarHBondContact O-N 2.9Å; T217-N221 PolarHBondContact O-ND2 2.94Å
218	I	97.9	Very high	93.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-46.8	175.4	-64.5	164.4	0	0	0	110.5	L155 F156 L159 F205 P207 S214 G215 N221 F222	L155-I218 HydrophobicContact CD1-CG2 3.95Å; L155-I218 HydrophobicContact CG-CG2 4.04Å; F156-I218 HydrophobicContact CD1-CG1 4.17Å; F156-I218 HydrophobicContact CE1-CD1 4.26Å; F156-I218 HydrophobicContact CE1-CG1 4.28Å; F156-I218 HydrophobicContact CE1-CG2 4.42Å; L159-I218 HydrophobicContact CD1-CD1 4.15Å; L159-I218 HydrophobicContact CD1-CG1 3.57Å; F205-I218 HydrophobicContact CE2-CD1 3.71Å; F205-I218 HydrophobicContact CZ-CD1 4.11Å; P207-I218 HydrophobicContact CB-CB 4.3Å; P207-I218 HydrophobicContact CB-CD1 4.43Å; P207-I218 HydrophobicContact CB-CG2 4.2Å; S214-I218 WeakPolarHBondContact O-CG1 3.4Å; S214-I218 PolarHBondContact O-N 2.91Å; S214-I218 VanDerWaalsContact O-N 3.14Å; G215-I218 WeakPolarHBondContact O-CB 3.47Å; G215-I218 PolarHBondContact O-N 3.08Å; I218-N221 PolarHBondContact O-N 2.84Å; I218-F222 PolarHBondContact O-N 2.91Å
219	L	97.9	Very high	94	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-39.2	176.2	-68.4	174.8	0	0	0	111.8	R61 L65 L117 P207 G215 K216 N221 F222 L223	R61-L219 HydrophobicContact CB-CD1 3.59Å; R61-L219 HydrophobicContact CG-CD1 4.22Å; L65-L219 HydrophobicContact CD1-CB 3.9Å; L117-L219 HydrophobicContact CD2-CD2 4.13Å; P207-L219 HydrophobicContact CB-CG 4.35Å; P207-L219 HydrophobicContact CG-CD2 4.28Å; G215-L219 PolarHBondContact O-N 3.42Å; K216-L219 PolarHBondContact O-N 2.95Å; L219-N221 PolarHBondContact O-N 2.85Å; L219-F222 PolarHBondContact O-N 3.18Å; L219-L223 WeakPolarHBondContact O-CB 3.19Å; L219-L223 WeakPolarHBondContact O-CG 3.47Å; L219-L223 PolarHBondContact O-N 3.17Å
220	Q	97.4	Very high	94.3	Very high	63 Å²	63	42.3 Å²	42.3	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-45.5	173.5	-75.8	174.3	-23	0	0	112.2	L65 K216 T217 F222 L223 F224	L65-Q220 HydrophobicContact CD1-CB 4.42Å; L65-Q220 HydrophobicContact CD1-CG 3.59Å; L65-Q220 HydrophobicContact CD2-CG 3.35Å; L65-Q220 VanDerWaalsContact CD2-NE2 3.28Å; L65-Q220 HydrophobicContact CG-CG 4.08Å; K216-Q220 VanDerWaalsContact O-CG 3.28Å; K216-Q220 WeakPolarHBondContact O-CG 3.02Å; K216-Q220 PolarHBondContact O-N 3.41Å; T217-Q220 WeakPolarHBondContact O-CB 3.2Å; T217-Q220 PolarHBondContact O-N 3.42Å; Q220-F222 VanDerWaalsContact C-N 3.33Å; Q220-F222 PolarHBondContact O-N 2.95Å; Q220-L223 PolarHBondContact O-N 2.84Å; Q220-F224 HydrophobicContact CB-CD2 4.04Å; Q220-F224 HydrophobicContact CB-CE2 4.12Å; Q220-F224 HydrophobicContact CG-CD2 4.32Å; Q220-F224 HydrophobicContact CG-CE2 3.88Å; Q220-F224 WeakPolarHBondContact O-CB 3.43Å; Q220-F224 WeakPolarHBondContact O-CD2 3.29Å; Q220-F224 WeakPolarHBondContact O-CG 3.46Å; Q220-F224 PolarHBondContact O-N 3.12Å
221	N	98.1	Very high	94.7	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	22%	0.223	C	C	.	.	I	π-helix	trans	-61.7	-43.5	178	-70.4	-23	0	0	0	110.9	L155 K157 T217 I218 L219 C225 L226	L155-N221 WeakPolarHBondContact O-CB 3.45Å; L155-N221 PolarHBondContact O-ND2 2.93Å; K157-N221 PolarHBondContact N-ND2 3.24Å; K157-N221 PolarHBondContact O-ND2 3.1Å; T217-N221 VanDerWaalsContact O-CG 3.26Å; T217-N221 PolarHBondContact O-N 2.9Å; T217-N221 PolarHBondContact O-ND2 2.94Å; I218-N221 PolarHBondContact O-N 2.84Å; L219-N221 PolarHBondContact O-N 2.85Å; N221-C225 WeakPolarHBondContact O-CA 3.44Å; N221-C225 VanDerWaalsContact O-CB 3.24Å; N221-C225 WeakPolarHBondContact O-CB 3.36Å; N221-C225 PolarHBondContact O-N 3.26Å; N221-L226 PolarHBondContact O-N 3.06Å; N221-L226 VanDerWaalsContact O-N 3.13Å
222	F	98.3	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-62.4	-50	175.5	-178.8	-108.8	0	0	0	112.4	A87 I89 P115 L117 L155 Y201 I218 L219 Q220 L226 A227	A87-F222 HydrophobicContact CB-CE1 3.81Å; A87-F222 HydrophobicContact CB-CZ 3.76Å; I89-F222 HydrophobicContact CD1-CD1 4.3Å; I89-F222 HydrophobicContact CD1-CE1 4.15Å; I89-F222 HydrophobicContact CG1-CD1 4.28Å; I89-F222 HydrophobicContact CG1-CE1 3.69Å; P115-F222 HydrophobicContact CB-CE2 4.27Å; P115-F222 HydrophobicContact CB-CZ 4.45Å; L117-F222 HydrophobicContact CB-CD1 4.04Å; L117-F222 HydrophobicContact CB-CD2 3.88Å; L117-F222 HydrophobicContact CB-CE1 3.76Å; L117-F222 HydrophobicContact CB-CE2 3.6Å; L117-F222 HydrophobicContact CB-CG 4.1Å; L117-F222 HydrophobicContact CB-CZ 3.53Å; L117-F222 HydrophobicContact CD2-CB 4.27Å; L117-F222 HydrophobicContact CD2-CD1 4.01Å; L117-F222 HydrophobicContact CD2-CD2 4.43Å; L117-F222 HydrophobicContact CD2-CG 3.97Å; L155-F222 HydrophobicContact CD1-CB 3.87Å; Y201-F222 HydrophobicContact CD2-CD2 4.45Å; Y201-F222 HydrophobicContact CD2-CE2 4.32Å; I218-F222 PolarHBondContact O-N 2.91Å; L219-F222 PolarHBondContact O-N 3.18Å; Q220-F222 VanDerWaalsContact C-N 3.33Å; Q220-F222 PolarHBondContact O-N 2.95Å; F222-L226 HydrophobicContact CD2-CB 4.24Å; F222-L226 HydrophobicContact CD2-CD1 4.09Å; F222-L226 WeakPolarHBondContact O-CB 3.3Å; F222-L226 PolarHBondContact O-N 3.07Å; F222-A227 WeakPolarHBondContact O-CB 3.45Å; F222-A227 PolarHBondContact O-N 2.88Å
223	L	98	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-69	-47.8	-175.1	-65.4	170.8	0	0	0	112.4	I45 V62 L65 V67 L219 Q220 A227 G228 C229	I45-L223 HydrophobicContact CD1-CD2 3.68Å; I45-L223 HydrophobicContact CG1-CD2 3.65Å; V62-L223 HydrophobicContact CB-CD1 4.3Å; V62-L223 HydrophobicContact CG1-CD1 3.84Å; V62-L223 HydrophobicContact CG1-CD2 3.96Å; V62-L223 HydrophobicContact CG2-CD1 4.23Å; V62-L223 HydrophobicContact CG2-CD2 4.47Å; L65-L223 HydrophobicContact CB-CD1 4.14Å; L65-L223 HydrophobicContact CD1-CD1 3.7Å; V67-L223 HydrophobicContact CG2-CD1 4.35Å; L219-L223 WeakPolarHBondContact O-CB 3.19Å; L219-L223 WeakPolarHBondContact O-CG 3.47Å; L219-L223 PolarHBondContact O-N 3.17Å; Q220-L223 PolarHBondContact O-N 2.84Å; L223-A227 CarbonylContact O-C 3.56Å; L223-A227 WeakPolarHBondContact O-CB 3.09Å; L223-G228 PolarHBondContact O-N 2.92Å; L223-C229 VanDerWaalsContact O-CB 3.28Å; L223-C229 WeakPolarHBondContact O-CB 3.41Å; L223-C229 PolarHBondContact O-N 2.94Å
224	F	97.1	Very high	94.9	Very high	63 Å²	63	37.2 Å²	37.2	28%	0.276	21%	0.211	S	C	.	.	I	π-helix	trans	-92.5	-41	-169.8	-54.1	-35.5	0	0	0	113	L65 V67 Q220 G228 C229 P231	L65-F224 HydrophobicContact CB-CZ 4.12Å; L65-F224 WeakPolarHBondContact O-CZ 3.33Å; V67-F224 HydrophobicContact CG2-CE1 3.72Å; Q220-F224 HydrophobicContact CB-CD2 4.04Å; Q220-F224 HydrophobicContact CB-CE2 4.12Å; Q220-F224 HydrophobicContact CG-CD2 4.32Å; Q220-F224 HydrophobicContact CG-CE2 3.88Å; Q220-F224 WeakPolarHBondContact O-CB 3.43Å; Q220-F224 WeakPolarHBondContact O-CD2 3.29Å; Q220-F224 WeakPolarHBondContact O-CG 3.46Å; Q220-F224 PolarHBondContact O-N 3.12Å; F224-G228 WeakPolarHBondContact O-CA 3.42Å; F224-C229 HydrophobicContact CD1-CB 4.5Å; F224-C229 VanDerWaalsContact CD1-O 3.29Å; F224-C229 WeakPolarHBondContact CD1-O 3.28Å; F224-P231 HydrophobicContact CE1-CB 4.06Å; F224-P231 HydrophobicContact CE1-CG 4.5Å; F224-P231 HydrophobicContact CZ-CB 4Å
225	C	93.9	Very high	94.7	Very high	69 Å²	69	38.2 Å²	38.2	47%	0.466	21%	0.214	S	C	.	.	I	π-helix	trans	-88.3	-36.1	-177.2	-63.7	0	0	0	0	112.5	N221	N221-C225 WeakPolarHBondContact O-CA 3.44Å; N221-C225 VanDerWaalsContact O-CB 3.24Å; N221-C225 WeakPolarHBondContact O-CB 3.36Å; N221-C225 PolarHBondContact O-N 3.26Å
226	L	95.6	Very high	94.4	Very high	36 Å²	36	45.8 Å²	45.8	19%	0.188	25%	0.249	C	C	.	.	I	π-helix	trans	-97.3	-44.1	-174.5	-63	174.9	0	0	0	113	P154 L155 Y201 N221 F222	P154-L226 HydrophobicContact CB-CD2 3.84Å; P154-L226 HydrophobicContact CG-CD2 4.44Å; L155-L226 HydrophobicContact CB-CD1 4.26Å; L155-L226 HydrophobicContact CD1-CD1 4.15Å; Y201-L226 HydrophobicContact CD1-CD1 4.21Å; Y201-L226 HydrophobicContact CD2-CD1 4.01Å; Y201-L226 HydrophobicContact CE1-CD1 3.84Å; Y201-L226 HydrophobicContact CE2-CB 4.5Å; Y201-L226 HydrophobicContact CE2-CD1 3.63Å; Y201-L226 HydrophobicContact CE2-CD2 4.19Å; Y201-L226 HydrophobicContact CE2-CG 4.32Å; Y201-L226 HydrophobicContact CG-CD1 4.3Å; Y201-L226 VanDerWaalsContact OH-CD2 3.22Å; Y201-L226 WeakPolarHBondContact OH-CD2 3.19Å; N221-L226 PolarHBondContact O-N 3.06Å; N221-L226 VanDerWaalsContact O-N 3.13Å; F222-L226 HydrophobicContact CD2-CB 4.24Å; F222-L226 HydrophobicContact CD2-CD1 4.09Å; F222-L226 WeakPolarHBondContact O-CB 3.3Å; F222-L226 PolarHBondContact O-N 3.07Å
227	A	95.4	Very high	94	Very high	12 Å²	12	44.7 Å²	44.7	10%	0.099	25%	0.248	C	C	.	.	S	Bend	trans	-88.7	-12.1	176.9	0	0	0	0	0	113.7	A87 F222 L223 C229	A87-A227 HydrophobicContact CB-CB 3.45Å; A87-A227 VanDerWaalsContact CB-CB 3.45Å; F222-A227 WeakPolarHBondContact O-CB 3.45Å; F222-A227 PolarHBondContact O-N 2.88Å; L223-A227 CarbonylContact O-C 3.56Å; L223-A227 WeakPolarHBondContact O-CB 3.09Å; A227-C229 PolarHBondContact O-N 3.4Å
228	G	93.9	Very high	93.7	Very high	40 Å²	40	43.2 Å²	43.2	41%	0.412	24%	0.238	S	C	.	.			trans	67.7	20	178.9	0	0	0	0	0	114.5	L223 F224	L223-G228 PolarHBondContact O-N 2.92Å; F224-G228 WeakPolarHBondContact O-CA 3.42Å
229	C	95.6	Very high	93.4	Very high	1 Å²	1	44 Å²	44	1%	0.007	24%	0.242	C	C	.	.			trans	-67.8	150	178.3	-61.3	0	0	0	0	110.9	D43 V67 L223 F224 A227	D43-C229 HydrophobicContact CB-CB 4.13Å; D43-C229 WeakPolarHBondContact OD2-CA 3.34Å; V67-C229 HydrophobicContact CG1-CB 4.23Å; V67-C229 HydrophobicContact CG2-CB 4.1Å; L223-C229 VanDerWaalsContact O-CB 3.28Å; L223-C229 WeakPolarHBondContact O-CB 3.41Å; L223-C229 PolarHBondContact O-N 2.94Å; F224-C229 HydrophobicContact CD1-CB 4.5Å; F224-C229 VanDerWaalsContact CD1-O 3.29Å; F224-C229 WeakPolarHBondContact CD1-O 3.28Å; A227-C229 PolarHBondContact O-N 3.4Å
230	Q	93.2	Very high	93.1	Very high	111 Å²	111	48.4 Å²	48.4	52%	0.519	26%	0.263	S	S	.	.			trans	-107.6	140.3	173	-58.8	-56.4	-51.2	0	0	109.7	D43 T232	D43-Q230 PolarHBondContact OD2-N 3.11Å; Q230-T232 HydrophobicContact CB-CG2 3.88Å; Q230-T232 PolarHBondContact O-N 2.66Å
231	P	92.1	Very high	92.7	Very high	64 Å²	64	47.7 Å²	47.7	42%	0.416	26%	0.262	S	S	.	.	S	Bend	trans	-76.8	56.9	-177.9	32.9	-36.8	0	0	0	112.3	C66 F224	C66-P231 HydrophobicContact CB-CB 3.81Å; C66-P231 CarbonylContact O-C 3.33Å; C66-P231 VanDerWaalsContact O-C 3.27Å; C66-P231 VanDerWaalsContact O-CA 3.28Å; C66-P231 WeakPolarHBondContact O-CA 3.26Å; F224-P231 HydrophobicContact CE1-CB 4.06Å; F224-P231 HydrophobicContact CE1-CG 4.5Å; F224-P231 HydrophobicContact CZ-CB 4Å
232	T	89.7	Confident	92.5	Very high	69 Å²	69	47.4 Å²	47.4	42%	0.423	26%	0.261	S	S	.	.			trans	-93	-11.6	-174.3	56.8	0	0	0	0	113.6	C66 Q230 T234 N237	C66-T232 PolarHBondContact O-N 3.14Å; Q230-T232 HydrophobicContact CB-CG2 3.88Å; Q230-T232 PolarHBondContact O-N 2.66Å; T232-T234 PolarHBondContact O-N 2.84Å; T232-N237 PolarHBondContact O-ND2 3.43Å
233	F	90.2	Very high	92.2	Very high	26 Å²	26	47.8 Å²	47.8	11%	0.114	26%	0.263	C	S	.	.			trans	-84.5	58.4	-179.9	-167.7	-111.6	0	0	0	111.1	P41 C66 A68 R238	P41-F233 HydrophobicContact CG-CD2 4.14Å; P41-F233 HydrophobicContact CG-CE2 4.13Å; C66-F233 WeakPolarHBondContact CA-O 3.27Å; C66-F233 WeakPolarHBondContact O-CA 3.17Å; C66-F233 VanDerWaalsContact O-CB 3.22Å; C66-F233 WeakPolarHBondContact O-CB 3.47Å; C66-F233 PolarHBondContact O-N 2.97Å; A68-F233 HydrophobicContact CB-CB 4.31Å; A68-F233 HydrophobicContact CB-CD1 3.97Å; A68-F233 HydrophobicContact CB-CD2 3.7Å; A68-F233 HydrophobicContact CB-CE1 4.15Å; A68-F233 HydrophobicContact CB-CE2 3.88Å; A68-F233 HydrophobicContact CB-CG 3.74Å; A68-F233 HydrophobicContact CB-CZ 4.1Å; F233-R238 HydrophobicContact CD1-CG 4.45Å; F233-R238 HydrophobicContact CD2-CG 3.91Å; F233-R238 HydrophobicContact CE1-CG 4.18Å; F233-R238 VanDerWaalsContact CE1-NE 3.34Å; F233-R238 HydrophobicContact CE2-CG 3.61Å; F233-R238 HydrophobicContact CG-CG 4.32Å; F233-R238 HydrophobicContact CZ-CG 3.75Å; F233-R238 VanDerWaalsContact CZ-NE 3.29Å
234	T	90.1	Very high	92	Very high	49 Å²	49	51.4 Å²	51.4	30%	0.301	28%	0.282	S	S	.	.			trans	-78.8	160.6	-177.1	67.2	0	0	0	0	112.3	C66 T232 E236 N237 R238	C66-T234 HydrophobicContact CB-CG2 4.48Å; T232-T234 PolarHBondContact O-N 2.84Å; T234-E236 VanDerWaalsContact C-N 3.33Å; T234-E236 PolarHBondContact O-N 3.23Å; T234-N237 PolarHBondContact O-N 3.5Å; T234-N237 PolarHBondContact OG1-N 3.3Å; T234-R238 WeakPolarHBondContact O-CB 3.19Å; T234-R238 WeakPolarHBondContact O-CD 3.3Å; T234-R238 VanDerWaalsContact O-CG 3.22Å; T234-R238 WeakPolarHBondContact O-CG 3.29Å; T234-R238 PolarHBondContact O-N 2.84Å; T234-R238 VanDerWaalsContact O-N 3.09Å
235	M	88.6	Confident	91.8	Very high	39 Å²	39	51.6 Å²	51.6	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-40.4	177	-76.8	-59.6	-61	0	0	113	R238 M239 F426 E430 L434	M235-R238 PolarHBondContact O-N 3.01Å; M235-M239 VanDerWaalsContact O-CB 3.31Å; M235-M239 WeakPolarHBondContact O-CB 3.3Å; M235-M239 PolarHBondContact O-N 3.26Å; M235-F426 HydrophobicContact CE-CD1 3.98Å; M235-F426 HydrophobicContact CE-CE1 3.87Å; M235-F426 HydrophobicContact SD-CD1 4.45Å; M235-F426 HydrophobicContact SD-CE1 4.38Å; M235-E430 HydrophobicContact CE-CB 3.93Å; M235-E430 VanDerWaalsContact CE-O 3.26Å; M235-E430 WeakPolarHBondContact CE-O 3.21Å; M235-E430 HydrophobicContact SD-CB 3.75Å; M235-E430 HydrophobicContact SD-CG 3.94Å; M235-L434 HydrophobicContact CE-CB 4.02Å
236	E	88	Confident	91.8	Very high	159 Å²	159	48.3 Å²	48.3	74%	0.743	26%	0.259	S	S	*	.	H	α-helix	trans	-62.2	-48.5	179.2	-66.2	177.8	178.7	0	0	111.8	T234 R238 M239 Q240	T234-E236 VanDerWaalsContact C-N 3.33Å; T234-E236 PolarHBondContact O-N 3.23Å; E236-R238 PolarHBondContact O-N 3.1Å; E236-M239 PolarHBondContact O-N 3.4Å; E236-Q240 PolarHBondContact O-N 3.43Å
237	N	87	Confident	91.7	Very high	82 Å²	82	51.2 Å²	51.2	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-46.6	178.4	-173.8	7.3	0	0	0	110.7	T232 T234 M239 Q240 V241	T232-N237 PolarHBondContact O-ND2 3.43Å; T234-N237 PolarHBondContact O-N 3.5Å; T234-N237 PolarHBondContact OG1-N 3.3Å; N237-M239 VanDerWaalsContact C-N 3.34Å; N237-M239 PolarHBondContact O-N 2.9Å; N237-Q240 PolarHBondContact O-N 2.93Å; N237-Q240 VanDerWaalsContact O-N 3.14Å; N237-V241 WeakPolarHBondContact O-CG2 3.33Å; N237-V241 PolarHBondContact O-N 3Å
238	R	90.5	Very high	91.6	Very high	11 Å²	11	58.7 Å²	58.7	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-37.3	178.9	-69.1	168.7	65.2	-162.7	-12.8	113.2	R63 F233 T234 M235 E236 Q240 C242 D425 F426 E430	R63-R238 VanDerWaalsContact NH1-NH2 3.13Å; R63-R238 VanDerWaalsContact NH2-CZ 3.29Å; F233-R238 HydrophobicContact CD1-CG 4.45Å; F233-R238 HydrophobicContact CD2-CG 3.91Å; F233-R238 HydrophobicContact CE1-CG 4.18Å; F233-R238 VanDerWaalsContact CE1-NE 3.34Å; F233-R238 HydrophobicContact CE2-CG 3.61Å; F233-R238 HydrophobicContact CG-CG 4.32Å; F233-R238 HydrophobicContact CZ-CG 3.75Å; F233-R238 VanDerWaalsContact CZ-NE 3.29Å; T234-R238 WeakPolarHBondContact O-CB 3.19Å; T234-R238 WeakPolarHBondContact O-CD 3.3Å; T234-R238 VanDerWaalsContact O-CG 3.22Å; T234-R238 WeakPolarHBondContact O-CG 3.29Å; T234-R238 PolarHBondContact O-N 2.84Å; T234-R238 VanDerWaalsContact O-N 3.09Å; M235-R238 PolarHBondContact O-N 3.01Å; E236-R238 PolarHBondContact O-N 3.1Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-C242 VanDerWaalsContact O-CB 3.24Å; R238-C242 WeakPolarHBondContact O-CB 3.26Å; R238-C242 PolarHBondContact O-N 2.78Å; R238-D425 IonicContact CZ-OD2 2.86Å; R238-D425 IonicContact NE-OD2 3.16Å; R238-D425 PolarHBondContact NH2-O 3.14Å; R238-D425 IonicContact NH2-OD2 3.22Å; R238-F426 HydrophobicContact CB-CE1 4.14Å; R238-F426 HydrophobicContact CB-CZ 4.09Å; R238-E430 IonicContact CZ-OE1 3.64Å; R238-E430 IonicContact CZ-OE2 3.57Å; R238-E430 IonicContact NH1-OE1 2.73Å; R238-E430 PolarHBondContact NH1-OE1 3.21Å; R238-E430 IonicContact NH1-OE2 3.13Å; R238-E430 PolarHBondContact NH1-OE2 2.91Å; R238-E430 IonicContact NH2-OE1 2.94Å; R238-E430 IonicContact NH2-OE2 3.55Å; R238-E430 PolarHBondContact NH2-OE2 3.26Å
239	M	91.3	Very high	91.4	Very high	19 Å²	19	59.9 Å²	59.9	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-48.1	173.2	177	175.9	179.6	0	0	109.9	M235 E236 N237 C242 L243 L271 R274 L434 L438	M235-M239 VanDerWaalsContact O-CB 3.31Å; M235-M239 WeakPolarHBondContact O-CB 3.3Å; M235-M239 PolarHBondContact O-N 3.26Å; E236-M239 PolarHBondContact O-N 3.4Å; N237-M239 VanDerWaalsContact C-N 3.34Å; N237-M239 PolarHBondContact O-N 2.9Å; M239-C242 WeakPolarHBondContact O-CB 3.26Å; M239-C242 PolarHBondContact O-N 2.93Å; M239-L243 HydrophobicContact CE-CD1 4.28Å; M239-L243 HydrophobicContact CG-CD1 4.26Å; M239-L243 HydrophobicContact CG-CG 4.5Å; M239-L243 VanDerWaalsContact O-CG 3.31Å; M239-L243 WeakPolarHBondContact O-CG 3.42Å; M239-L243 PolarHBondContact O-N 3.48Å; M239-L271 HydrophobicContact CE-CD1 4.42Å; M239-L271 HydrophobicContact CG-CD1 4.36Å; M239-R274 VanDerWaalsContact CE-CD 3.46Å; M239-L434 HydrophobicContact CB-CD1 3.81Å; M239-L434 HydrophobicContact CE-CD1 4.3Å; M239-L434 HydrophobicContact CG-CD1 3.59Å; M239-L434 HydrophobicContact SD-CD1 3.5Å; M239-L434 VanDerWaalsContact SD-CD1 3.5Å; M239-L438 HydrophobicContact CE-CD2 3.4Å; M239-L438 VanDerWaalsContact CE-CD2 3.4Å; M239-L438 HydrophobicContact CE-CG 3.94Å
240	Q	91.5	Very high	91.2	Very high	93 Å²	93	59.9 Å²	59.9	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-49.8	178.8	-170.3	58.2	48.8	0	0	112	E236 N237 R238 C242 L243 D244	E236-Q240 PolarHBondContact O-N 3.43Å; N237-Q240 PolarHBondContact O-N 2.93Å; N237-Q240 VanDerWaalsContact O-N 3.14Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; Q240-C242 PolarHBondContact O-N 3.24Å; Q240-L243 WeakPolarHBondContact O-CB 3.38Å; Q240-L243 PolarHBondContact O-N 3.33Å; Q240-D244 PolarHBondContact NE2-OD1 3.2Å; Q240-D244 PolarHBondContact NE2-OD2 3Å; Q240-D244 VanDerWaalsContact O-CG 3.27Å; Q240-D244 PolarHBondContact O-N 2.91Å
241	V	89.3	Confident	91	Very high	48 Å²	48	61.4 Å²	61.4	29%	0.291	30%	0.302	S	S	.	.	H	α-helix	trans	-55.1	-40.2	174.7	171.8	0	0	0	0	111.2	N237 R245	N237-V241 WeakPolarHBondContact O-CG2 3.33Å; N237-V241 PolarHBondContact O-N 3Å; V241-R245 VanDerWaalsContact O-CB 3.29Å; V241-R245 WeakPolarHBondContact O-CB 3.34Å; V241-R245 PolarHBondContact O-N 3.31Å
242	C	92.3	Very high	90.6	Very high	4 Å²	4	65 Å²	65	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-66.7	-44	176.9	-167.2	0	0	0	0	112.2	R238 M239 Q240 R245 I246 P422 F426	R238-C242 VanDerWaalsContact O-CB 3.24Å; R238-C242 WeakPolarHBondContact O-CB 3.26Å; R238-C242 PolarHBondContact O-N 2.78Å; M239-C242 WeakPolarHBondContact O-CB 3.26Å; M239-C242 PolarHBondContact O-N 2.93Å; Q240-C242 PolarHBondContact O-N 3.24Å; C242-R245 PolarHBondContact O-N 3.49Å; C242-I246 WeakPolarHBondContact O-CD1 3.26Å; C242-I246 WeakPolarHBondContact O-CG1 3.4Å; C242-I246 PolarHBondContact O-N 3.07Å; C242-P422 PolarHBondContact SG-O 3Å; C242-F426 HydrophobicContact CB-CE2 4.31Å; C242-F426 HydrophobicContact CB-CZ 4.4Å
243	L	93.8	Very high	90.6	Very high	9 Å²	9	65 Å²	65	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-47.4	175.7	-67.5	173	0	0	0	111.1	M239 Q240 R245 I246 Q247 L271 R274 A275	M239-L243 HydrophobicContact CE-CD1 4.28Å; M239-L243 HydrophobicContact CG-CD1 4.26Å; M239-L243 HydrophobicContact CG-CG 4.5Å; M239-L243 VanDerWaalsContact O-CG 3.31Å; M239-L243 WeakPolarHBondContact O-CG 3.42Å; M239-L243 PolarHBondContact O-N 3.48Å; Q240-L243 WeakPolarHBondContact O-CB 3.38Å; Q240-L243 PolarHBondContact O-N 3.33Å; L243-R245 PolarHBondContact O-N 2.83Å; L243-I246 PolarHBondContact O-N 2.95Å; L243-Q247 WeakPolarHBondContact O-CG 3.39Å; L243-Q247 PolarHBondContact O-N 3.3Å; L243-L271 HydrophobicContact CD2-CD1 3.66Å; L243-L271 HydrophobicContact CD2-CG 4.25Å; L243-L271 HydrophobicContact CG-CD1 4.27Å; L243-R274 HydrophobicContact CD1-CG 4.33Å; L243-R274 HydrophobicContact CD2-CB 4.17Å; L243-R274 HydrophobicContact CD2-CG 4.08Å; L243-A275 HydrophobicContact CD2-CB 3.67Å
244	D	93.4	Very high	90.5	Very high	75 Å²	75	67.7 Å²	67.7	40%	0.401	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-42.4	-179.5	-63.4	-19.5	0	0	0	111.1	Q240 Q247 K248	Q240-D244 PolarHBondContact NE2-OD1 3.2Å; Q240-D244 PolarHBondContact NE2-OD2 3Å; Q240-D244 VanDerWaalsContact O-CG 3.27Å; Q240-D244 PolarHBondContact O-N 2.91Å; D244-Q247 PolarHBondContact O-N 3.39Å; D244-K248 WeakPolarHBondContact O-CB 3.16Å; D244-K248 PolarHBondContact O-N 2.94Å
245	R	91.9	Very high	90.6	Very high	67 Å²	67	65.4 Å²	65.4	25%	0.253	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-45.7	174.3	-174.3	178.6	70	-163	-3.3	111.8	V241 C242 L243 Q247 K248 E249 K424	V241-R245 VanDerWaalsContact O-CB 3.29Å; V241-R245 WeakPolarHBondContact O-CB 3.34Å; V241-R245 PolarHBondContact O-N 3.31Å; C242-R245 PolarHBondContact O-N 3.49Å; L243-R245 PolarHBondContact O-N 2.83Å; R245-Q247 VanDerWaalsContact C-N 3.33Å; R245-Q247 PolarHBondContact O-N 3.46Å; R245-K248 PolarHBondContact O-N 2.8Å; R245-E249 VanDerWaalsContact O-CB 3.27Å; R245-E249 WeakPolarHBondContact O-CB 3.44Å; R245-E249 PolarHBondContact O-N 2.99Å; R245-K424 VanDerWaalsContact NH1-CE 3.35Å
246	I	94.3	Very high	90.7	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-46.4	177.9	-68.4	159.5	0	0	0	110.2	C242 L243 E249 V250 L271 L272 A275 L276 I420 P422	C242-I246 WeakPolarHBondContact O-CD1 3.26Å; C242-I246 WeakPolarHBondContact O-CG1 3.4Å; C242-I246 PolarHBondContact O-N 3.07Å; L243-I246 PolarHBondContact O-N 2.95Å; I246-E249 PolarHBondContact O-N 3.38Å; I246-V250 HydrophobicContact CG2-CG2 4.31Å; I246-V250 WeakPolarHBondContact O-CB 3.46Å; I246-V250 WeakPolarHBondContact O-CG2 3.49Å; I246-V250 PolarHBondContact O-N 3.48Å; I246-L271 HydrophobicContact CD1-CD2 4.1Å; I246-L271 HydrophobicContact CD1-CG 4.05Å; I246-L272 HydrophobicContact CD1-CD2 4.45Å; I246-L272 HydrophobicContact CG2-CD2 3.93Å; I246-A275 HydrophobicContact CB-CB 3.92Å; I246-A275 HydrophobicContact CD1-CB 4.11Å; I246-A275 HydrophobicContact CG2-CB 3.59Å; I246-L276 HydrophobicContact CG2-CD1 3.81Å; I246-L276 HydrophobicContact CG2-CD2 4Å; I246-L276 HydrophobicContact CG2-CG 3.77Å; I246-I420 HydrophobicContact CB-CD1 4.25Å; I246-I420 HydrophobicContact CG1-CD1 3.99Å; I246-I420 HydrophobicContact CG2-CD1 4.03Å; I246-P422 HydrophobicContact CD1-CB 3.98Å; I246-P422 HydrophobicContact CD1-CG 4.23Å; I246-P422 HydrophobicContact CG1-CB 4.47Å; I246-P422 HydrophobicContact CG1-CG 4.45Å
247	Q	93.8	Very high	90.9	Very high	97 Å²	97	56.1 Å²	56.1	45%	0.453	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-44.6	178.3	-71.6	175.9	-3.3	0	0	112	L243 D244 R245 K251 A275 L276	L243-Q247 WeakPolarHBondContact O-CG 3.39Å; L243-Q247 PolarHBondContact O-N 3.3Å; D244-Q247 PolarHBondContact O-N 3.39Å; R245-Q247 VanDerWaalsContact C-N 3.33Å; R245-Q247 PolarHBondContact O-N 3.46Å; Q247-K251 WeakPolarHBondContact O-CA 3.48Å; Q247-K251 PolarHBondContact O-N 3.06Å; Q247-A275 HydrophobicContact CG-CB 4.43Å; Q247-A275 VanDerWaalsContact CG-O 3.25Å; Q247-A275 WeakPolarHBondContact CG-O 3.43Å; Q247-A275 PolarHBondContact NE2-O 3.34Å; Q247-L276 HydrophobicContact CG-CD2 4.39Å
248	K	92	Very high	91	Very high	168 Å²	168	53.8 Å²	53.8	73%	0.73	25%	0.253	S	S	*	.	H	α-helix	trans	-65	-39.5	179.1	-175.4	179.4	178.3	-178	0	112.8	D244 R245 K251	D244-K248 WeakPolarHBondContact O-CB 3.16Å; D244-K248 PolarHBondContact O-N 2.94Å; R245-K248 PolarHBondContact O-N 2.8Å; K248-K251 WeakPolarHBondContact O-CE 3.3Å; K248-K251 VanDerWaalsContact O-CG 3.26Å; K248-K251 WeakPolarHBondContact O-CG 3.47Å
249	E	90.5	Very high	90.9	Very high	66 Å²	66	53.4 Å²	53.4	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-76.7	-49.1	-177.4	-170.7	176.8	163.5	0	0	111.6	R245 I246 Y375	R245-E249 VanDerWaalsContact O-CB 3.27Å; R245-E249 WeakPolarHBondContact O-CB 3.44Å; R245-E249 PolarHBondContact O-N 2.99Å; I246-E249 PolarHBondContact O-N 3.38Å; E249-Y375 HydrophobicContact CG-CE1 4.23Å; E249-Y375 PolarHBondContact O-OH 2.86Å
250	V	91.2	Very high	90.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-79.7	-37.5	-174.3	178.2	0	0	0	0	112.4	I246 D252 K253 V255 L276 Y375 I420	I246-V250 HydrophobicContact CG2-CG2 4.31Å; I246-V250 WeakPolarHBondContact O-CB 3.46Å; I246-V250 WeakPolarHBondContact O-CG2 3.49Å; I246-V250 PolarHBondContact O-N 3.48Å; V250-D252 PolarHBondContact O-N 3.39Å; V250-D252 VanDerWaalsContact O-N 3.13Å; V250-K253 HydrophobicContact CG1-CB 4.26Å; V250-K253 WeakPolarHBondContact CG1-O 3.48Å; V250-K253 WeakPolarHBondContact O-CB 3.35Å; V250-K253 PolarHBondContact O-N 3.22Å; V250-V255 HydrophobicContact CB-CG2 4.31Å; V250-V255 HydrophobicContact CG1-CG2 3.52Å; V250-V255 HydrophobicContact CG2-CG2 3.81Å; V250-L276 HydrophobicContact CB-CD1 4.1Å; V250-L276 HydrophobicContact CB-CD2 4.04Å; V250-L276 HydrophobicContact CG1-CD1 3.83Å; V250-L276 HydrophobicContact CG1-CD2 4.19Å; V250-L276 HydrophobicContact CG2-CD1 4.11Å; V250-Y375 HydrophobicContact CB-CD2 4.39Å; V250-Y375 HydrophobicContact CB-CE2 4.45Å; V250-Y375 HydrophobicContact CG1-CD2 4.14Å; V250-Y375 HydrophobicContact CG2-CD2 4.12Å; V250-Y375 HydrophobicContact CG2-CE2 4.4Å; V250-Y375 HydrophobicContact CG2-CG 4.35Å; V250-I420 HydrophobicContact CG2-CD1 3.48Å; V250-I420 VanDerWaalsContact CG2-CD1 3.48Å
251	K	88.9	Confident	89.8	Confident	143 Å²	143	51.7 Å²	51.7	62%	0.622	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	-112.9	-176.5	-54.5	-179.7	-179.6	179.3	0	111.7	Q247 K248 K280	Q247-K251 WeakPolarHBondContact O-CA 3.48Å; Q247-K251 PolarHBondContact O-N 3.06Å; K248-K251 WeakPolarHBondContact O-CE 3.3Å; K248-K251 VanDerWaalsContact O-CG 3.26Å; K248-K251 WeakPolarHBondContact O-CG 3.47Å; K251-K280 PolarHBondContact O-NZ 2.95Å
252	D	85	Confident	89.6	Confident	139 Å²	139	50.7 Å²	50.7	74%	0.743	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	2.6	-176.8	-61.1	-46.9	0	0	0	114.4	V250 K280	V250-D252 PolarHBondContact O-N 3.39Å; V250-D252 VanDerWaalsContact O-N 3.13Å; D252-K280 IonicContact OD1-NZ 3.59Å; D252-K280 PolarHBondContact OD1-NZ 2.98Å
253	K	88	Confident	89.3	Confident	69 Å²	69	51.1 Å²	51.1	30%	0.3	26%	0.255	S	S	.	.	S	Bend	trans	-77.5	158.6	177.2	-62.9	-172.7	-171.4	178.4	0	111	V250 G372 Q373 Y375 Y418	V250-K253 HydrophobicContact CG1-CB 4.26Å; V250-K253 WeakPolarHBondContact CG1-O 3.48Å; V250-K253 WeakPolarHBondContact O-CB 3.35Å; V250-K253 PolarHBondContact O-N 3.22Å; K253-G372 PolarHBondContact NZ-O 3.14Å; K253-Q373 WeakPolarHBondContact CB-O 3.05Å; K253-Y375 HydrophobicContact CB-CD2 4.08Å; K253-Y375 HydrophobicContact CB-CE2 4.17Å; K253-Y375 HydrophobicContact CD-CD2 4.32Å; K253-Y375 HydrophobicContact CD-CE2 3.81Å; K253-Y418 HydrophobicContact CD-CE1 4.48Å; K253-Y418 PolarHBondContact NZ-OH 3.34Å
254	K	89.6	Confident	89.1	Confident	83 Å²	83	52.9 Å²	52.9	36%	0.361	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	154.5	172.5	-69.1	-172.3	178.8	-178.5	0	110.9	K280 V282 L369 V374 Y375	K254-K280 CarbonylContact C-O 3.51Å; K254-K280 VanDerWaalsContact CA-O 3.25Å; K254-K280 WeakPolarHBondContact CA-O 3.44Å; K254-V282 HydrophobicContact CD-CG2 4.47Å; K254-L369 HydrophobicContact CD-CD1 4.13Å; K254-L369 HydrophobicContact CD-CD2 4.24Å; K254-V374 HydrophobicContact CB-CG2 4.14Å; K254-V374 WeakPolarHBondContact O-CA 3.45Å; K254-Y375 PolarHBondContact O-N 3.21Å
255	V	92.2	Very high	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.4	176.5	-170.4	0	0	0	0	109.4	V250 L272 L276 K280 V281 V282 Y375 A377 I420	V250-V255 HydrophobicContact CB-CG2 4.31Å; V250-V255 HydrophobicContact CG1-CG2 3.52Å; V250-V255 HydrophobicContact CG2-CG2 3.81Å; V255-L272 HydrophobicContact CG1-CD1 3.99Å; V255-L272 HydrophobicContact CG1-CD2 4.22Å; V255-L276 HydrophobicContact CB-CD1 4.43Å; V255-L276 HydrophobicContact CG2-CD1 3.44Å; V255-L276 VanDerWaalsContact CG2-CD1 3.44Å; V255-K280 PolarHBondContact N-O 2.96Å; V255-V281 CarbonylContact O-C 3.54Å; V255-V281 WeakPolarHBondContact O-CA 3.28Å; V255-V282 PolarHBondContact O-N 3.37Å; V255-Y375 CarbonylContact C-O 3.55Å; V255-Y375 WeakPolarHBondContact CA-O 3.43Å; V255-A377 HydrophobicContact CG1-CB 3.75Å; V255-I420 HydrophobicContact CG1-CG2 3.85Å
256	I	90.4	Very high	88.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.3	169.2	-67.1	176.5	0	0	0	108.2	V282 I284 M364 V374 Y375 L376 A377	I256-V282 WeakPolarHBondContact CA-O 3.28Å; I256-V282 HydrophobicContact CG1-CB 4.21Å; I256-I284 HydrophobicContact CG2-CD1 3.49Å; I256-I284 VanDerWaalsContact CG2-CD1 3.49Å; I256-I284 HydrophobicContact CG2-CG1 4.35Å; I256-M364 HydrophobicContact CD1-CG 3.38Å; I256-M364 HydrophobicContact CD1-SD 4.34Å; I256-V374 HydrophobicContact CB-CG1 4.33Å; I256-V374 HydrophobicContact CD1-CG1 3.79Å; I256-V374 HydrophobicContact CG1-CG1 3.82Å; I256-Y375 PolarHBondContact N-O 2.91Å; I256-L376 HydrophobicContact CB-CD1 4.4Å; I256-L376 HydrophobicContact CG2-CD1 4.12Å; I256-A377 PolarHBondContact O-N 3.49Å
257	V	91.3	Very high	88.7	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.7	173.6	60.3	0	0	0	0	109.8	C259 A269 L272 V281 V282 P283 I284 A377	V257-C259 PolarHBondContact O-N 2.86Å; V257-A269 HydrophobicContact CG1-CB 3.82Å; V257-A269 HydrophobicContact CG2-CB 4.15Å; V257-L272 HydrophobicContact CB-CD1 3.97Å; V257-L272 HydrophobicContact CG1-CD1 4.37Å; V257-L272 HydrophobicContact CG2-CD1 4.2Å; V257-V281 HydrophobicContact CG1-CG1 3.89Å; V257-V282 PolarHBondContact N-O 3.04Å; V257-V282 VanDerWaalsContact N-O 3.07Å; V257-P283 HydrophobicContact CG1-CB 3.67Å; V257-P283 WeakPolarHBondContact O-CA 3.49Å; V257-I284 PolarHBondContact O-N 3.14Å; V257-A377 HydrophobicContact CB-CB 3.9Å; V257-A377 HydrophobicContact CG2-CB 4.01Å
258	L	88.7	Confident	88.7	Confident	33 Å²	33	42.1 Å²	42.1	17%	0.173	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.4	173.8	-63.2	-177.4	0	0	0	109.4	S265 I284 F356 V360	L258-S265 WeakPolarHBondContact O-CB 3.43Å; L258-I284 HydrophobicContact CD2-CB 4.07Å; L258-I284 HydrophobicContact CD2-CD1 4.44Å; L258-I284 HydrophobicContact CD2-CG2 4.33Å; L258-F356 HydrophobicContact CD1-CD1 4.5Å; L258-V360 HydrophobicContact CD1-CG2 3.79Å; L258-V360 HydrophobicContact CD2-CG2 3.81Å; L258-V360 HydrophobicContact CG-CG2 4.24Å
259	C	88.7	Confident	88.7	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.027	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115.6	174.7	-61	0	0	0	0	108.4	V257 I284 F285 L303 V310	V257-C259 PolarHBondContact O-N 2.86Å; C259-I284 PolarHBondContact N-O 3.39Å; C259-F285 WeakPolarHBondContact O-CD2 3.29Å; C259-L303 HydrophobicContact CB-CD1 3.87Å; C259-V310 HydrophobicContact CB-CG1 4.09Å
260	S	82.4	Confident	88.8	Confident	70 Å²	70	31.4 Å²	31.4	49%	0.49	17%	0.17	S	C	.	.			trans	-92.1	-6.4	173.8	62.5	0	0	0	0	112.7	G262 S265	S260-G262 PolarHBondContact O-N 2.97Å; S260-G262 PolarHBondContact OG-N 3.07Å; S260-S265 PolarHBondContact N-OG 3.48Å; S260-S265 VanDerWaalsContact N-OG 3.09Å; S260-S265 PolarHBondContact OG-OG 3.14Å
261	G	78.5	Confident	88.9	Confident	5 Å²	5	31.3 Å²	31.3	5%	0.052	17%	0.17	C	C	.	.	S	Bend	trans	77.1	5.5	-166.9	0	0	0	0	0	113.8	R447	G261-R447 PolarHBondContact O-NH1 2.76Å; G261-R447 VanDerWaalsContact O-NH1 3.1Å
262	G	84.5	Confident	89.2	Confident	28 Å²	28	24.5 Å²	24.5	29%	0.289	14%	0.14	S	C	.	.	S	Bend	trans	-79.3	155.2	166.9	0	0	0	0	0	111.6	S260 D264 S265 S266	S260-G262 PolarHBondContact O-N 2.97Å; S260-G262 PolarHBondContact OG-N 3.07Å; G262-D264 VanDerWaalsContact C-N 3.35Å; G262-D264 PolarHBondContact O-N 2.78Å; G262-S265 PolarHBondContact O-N 2.79Å; G262-S265 PolarHBondContact O-OG 3.2Å; G262-S266 WeakPolarHBondContact O-CB 3.48Å; G262-S266 PolarHBondContact O-N 3.26Å; G262-S266 PolarHBondContact O-OG 3.27Å
263	V	86.6	Confident	89.6	Confident	12 Å²	12	19 Å²	19	7%	0.073	11%	0.11	C	C	.	.	H	α-helix	trans	-48.2	-55.8	179.7	-177	0	0	0	0	110.8	S265 S266 V267 V431 R432 I444 L445	V263-S265 PolarHBondContact O-N 2.71Å; V263-S266 PolarHBondContact O-N 3.03Å; V263-V267 HydrophobicContact CG1-CG2 4.2Å; V263-V267 WeakPolarHBondContact O-CG2 3.39Å; V263-V267 PolarHBondContact O-N 3.13Å; V263-V431 HydrophobicContact CG1-CG1 4.17Å; V263-R432 HydrophobicContact CG1-CG 4.02Å; V263-I444 WeakPolarHBondContact CG2-O 3.36Å; V263-L445 HydrophobicContact CG1-CD2 4.14Å; V263-L445 WeakPolarHBondContact CG2-O 3.48Å
264	D	88.3	Confident	89.8	Confident	46 Å²	46	23.1 Å²	23.1	25%	0.246	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-46	-172.8	-43	-27.4	0	0	0	112	G262 S266 C268 L381 L423	G262-D264 VanDerWaalsContact C-N 3.35Å; G262-D264 PolarHBondContact O-N 2.78Å; D264-S266 VanDerWaalsContact C-N 3.31Å; D264-S266 PolarHBondContact O-N 3.37Å; D264-C268 WeakPolarHBondContact O-CB 3.45Å; D264-C268 PolarHBondContact O-N 2.7Å; D264-L381 HydrophobicContact CB-CD2 4.38Å; D264-L423 HydrophobicContact CB-CD1 4.41Å; D264-L423 VanDerWaalsContact O-CD1 3.26Å; D264-L423 WeakPolarHBondContact O-CD1 3.27Å
265	S	89.2	Confident	90	Very high	13 Å²	13	19.5 Å²	19.5	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-67.3	-32.3	178.2	68.4	0	0	0	0	113.1	L258 S260 G262 V263 A269	L258-S265 WeakPolarHBondContact O-CB 3.43Å; S260-S265 PolarHBondContact N-OG 3.48Å; S260-S265 VanDerWaalsContact N-OG 3.09Å; S260-S265 PolarHBondContact OG-OG 3.14Å; G262-S265 PolarHBondContact O-N 2.79Å; G262-S265 PolarHBondContact O-OG 3.2Å; V263-S265 PolarHBondContact O-N 2.71Å; S265-A269 WeakPolarHBondContact O-CB 3.44Å; S265-A269 PolarHBondContact O-N 3.46Å
266	S	90.5	Very high	90.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-74.8	-45.6	-178.6	-52.1	0	0	0	0	110.6	G262 V263 D264 C268 A269 A270	G262-S266 WeakPolarHBondContact O-CB 3.48Å; G262-S266 PolarHBondContact O-N 3.26Å; G262-S266 PolarHBondContact O-OG 3.27Å; V263-S266 PolarHBondContact O-N 3.03Å; D264-S266 VanDerWaalsContact C-N 3.31Å; D264-S266 PolarHBondContact O-N 3.37Å; S266-C268 VanDerWaalsContact C-N 3.35Å; S266-A269 PolarHBondContact O-N 2.89Å; S266-A270 WeakPolarHBondContact O-CB 3.14Å; S266-A270 PolarHBondContact O-N 2.84Å
267	V	92.4	Very high	90.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-42.3	174.5	177.3	0	0	0	0	110.4	V263 A269 A270 L271 L423 V431 L434 L438 L440 L445	V263-V267 HydrophobicContact CG1-CG2 4.2Å; V263-V267 WeakPolarHBondContact O-CG2 3.39Å; V263-V267 PolarHBondContact O-N 3.13Å; V267-A269 PolarHBondContact O-N 3.03Å; V267-A270 PolarHBondContact O-N 3.44Å; V267-L271 VanDerWaalsContact O-CB 3.27Å; V267-L271 WeakPolarHBondContact O-CB 3.48Å; V267-L271 PolarHBondContact O-N 3.24Å; V267-L423 HydrophobicContact CG1-CD2 4.18Å; V267-V431 HydrophobicContact CB-CG1 3.89Å; V267-V431 HydrophobicContact CG1-CG1 4Å; V267-V431 HydrophobicContact CG2-CG1 3.86Å; V267-L434 HydrophobicContact CG1-CB 4.29Å; V267-L434 HydrophobicContact CG1-CD2 3.87Å; V267-L434 HydrophobicContact CG1-CG 4.06Å; V267-L438 HydrophobicContact CG1-CD1 4.13Å; V267-L440 HydrophobicContact CG2-CD2 3.99Å; V267-L445 HydrophobicContact CG2-CD2 4.13Å
268	C	93.4	Very high	89.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-48.5	174.8	-175.6	0	0	0	0	111.7	D264 S266 A270 L271 L272 L423	D264-C268 WeakPolarHBondContact O-CB 3.45Å; D264-C268 PolarHBondContact O-N 2.7Å; S266-C268 VanDerWaalsContact C-N 3.35Å; C268-A270 PolarHBondContact O-N 3.25Å; C268-L271 PolarHBondContact O-N 3.35Å; C268-L272 VanDerWaalsContact O-CG 3.26Å; C268-L272 WeakPolarHBondContact O-CG 3.42Å; C268-L272 PolarHBondContact O-N 3.19Å; C268-L423 HydrophobicContact CB-CD1 3.94Å; C268-L423 HydrophobicContact CB-CG 4.25Å
269	A	92.9	Very high	89.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-42.1	178	0	0	0	0	0	112.8	V257 S265 S266 V267 L272 N273 V308	V257-A269 HydrophobicContact CG1-CB 3.82Å; V257-A269 HydrophobicContact CG2-CB 4.15Å; S265-A269 WeakPolarHBondContact O-CB 3.44Å; S265-A269 PolarHBondContact O-N 3.46Å; S266-A269 PolarHBondContact O-N 2.89Å; V267-A269 PolarHBondContact O-N 3.03Å; A269-L272 PolarHBondContact O-N 3.18Å; A269-N273 WeakPolarHBondContact O-CB 3.2Å; A269-N273 PolarHBondContact O-N 2.95Å; A269-V308 HydrophobicContact CB-CG1 3.88Å; A269-V308 HydrophobicContact CB-CG2 4.42Å
270	A	92.3	Very high	89.9	Confident	9 Å²	9	38.9 Å²	38.9	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-40.8	177.2	0	0	0	0	0	112.5	S266 V267 C268 N273 R274 V308 L438 L440	S266-A270 WeakPolarHBondContact O-CB 3.14Å; S266-A270 PolarHBondContact O-N 2.84Å; V267-A270 PolarHBondContact O-N 3.44Å; C268-A270 PolarHBondContact O-N 3.25Å; A270-N273 PolarHBondContact O-N 3.46Å; A270-R274 PolarHBondContact O-N 3.34Å; A270-V308 HydrophobicContact CB-CG2 4.25Å; A270-L438 HydrophobicContact CB-CB 4.42Å; A270-L438 HydrophobicContact CB-CD1 4.1Å; A270-L440 HydrophobicContact CB-CD1 3.62Å
271	L	93.7	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-43.3	176.9	-171.1	69	0	0	0	111.4	M239 L243 I246 V267 C268 R274 A275 P422 L423 L434 L438	M239-L271 HydrophobicContact CE-CD1 4.42Å; M239-L271 HydrophobicContact CG-CD1 4.36Å; L243-L271 HydrophobicContact CD2-CD1 3.66Å; L243-L271 HydrophobicContact CD2-CG 4.25Å; L243-L271 HydrophobicContact CG-CD1 4.27Å; I246-L271 HydrophobicContact CD1-CD2 4.1Å; I246-L271 HydrophobicContact CD1-CG 4.05Å; V267-L271 VanDerWaalsContact O-CB 3.27Å; V267-L271 WeakPolarHBondContact O-CB 3.48Å; V267-L271 PolarHBondContact O-N 3.24Å; C268-L271 PolarHBondContact O-N 3.35Å; L271-R274 PolarHBondContact O-N 3.03Å; L271-A275 WeakPolarHBondContact O-CB 3.46Å; L271-A275 PolarHBondContact O-N 3.29Å; L271-P422 HydrophobicContact CD2-CB 3.73Å; L271-L423 HydrophobicContact CD2-CD2 4.16Å; L271-L434 HydrophobicContact CD1-CD1 4.46Å; L271-L434 HydrophobicContact CD1-CD2 4.34Å; L271-L434 HydrophobicContact CD2-CD2 4.18Å; L271-L438 HydrophobicContact CB-CD1 4.05Å; L271-L438 HydrophobicContact CD1-CD1 4.22Å; L271-L438 HydrophobicContact CD1-CD2 4.47Å
272	L	94.8	Very high	91	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-43.5	174.2	-69.4	166.1	0	0	0	111.6	I246 V255 V257 C268 A269 R274 A275 L276 V281 A377 I420 P422	I246-L272 HydrophobicContact CD1-CD2 4.45Å; I246-L272 HydrophobicContact CG2-CD2 3.93Å; V255-L272 HydrophobicContact CG1-CD1 3.99Å; V255-L272 HydrophobicContact CG1-CD2 4.22Å; V257-L272 HydrophobicContact CB-CD1 3.97Å; V257-L272 HydrophobicContact CG1-CD1 4.37Å; V257-L272 HydrophobicContact CG2-CD1 4.2Å; C268-L272 VanDerWaalsContact O-CG 3.26Å; C268-L272 WeakPolarHBondContact O-CG 3.42Å; C268-L272 PolarHBondContact O-N 3.19Å; A269-L272 PolarHBondContact O-N 3.18Å; L272-R274 VanDerWaalsContact C-N 3.29Å; L272-R274 PolarHBondContact O-N 2.93Å; L272-A275 PolarHBondContact O-N 3.05Å; L272-L276 HydrophobicContact CD2-CD1 4.36Å; L272-L276 WeakPolarHBondContact O-CB 3.24Å; L272-L276 PolarHBondContact O-N 3.12Å; L272-V281 HydrophobicContact CB-CG1 4.1Å; L272-V281 HydrophobicContact CB-CG2 3.82Å; L272-A377 HydrophobicContact CD1-CB 3.47Å; L272-A377 VanDerWaalsContact CD1-CB 3.47Å; L272-I420 HydrophobicContact CD2-CG2 4.49Å; L272-P422 HydrophobicContact CD2-CG 3.92Å; L272-P422 HydrophobicContact CG-CG 4.22Å
273	N	93.3	Very high	91.4	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.118	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-40.8	176.4	-85.4	-4.6	0	0	0	111.8	A269 A270 G277 V281 G307	A269-N273 WeakPolarHBondContact O-CB 3.2Å; A269-N273 PolarHBondContact O-N 2.95Å; A270-N273 PolarHBondContact O-N 3.46Å; N273-G277 VanDerWaalsContact O-CA 3.23Å; N273-G277 WeakPolarHBondContact O-CA 3.45Å; N273-G277 PolarHBondContact O-N 2.98Å; N273-V281 WeakPolarHBondContact OD1-CB 3.47Å; N273-V281 WeakPolarHBondContact OD1-CG1 3.17Å; N273-G307 PolarHBondContact ND2-O 2.96Å
274	R	92.5	Very high	91.6	Very high	156 Å²	156	34.6 Å²	34.6	59%	0.589	17%	0.169	S	C	*	.	H	α-helix	trans	-67.4	-39.4	176	-175.8	171.9	174	101.2	-2.9	112.1	M239 L243 A270 L271 L272 L438	M239-R274 VanDerWaalsContact CE-CD 3.46Å; L243-R274 HydrophobicContact CD1-CG 4.33Å; L243-R274 HydrophobicContact CD2-CB 4.17Å; L243-R274 HydrophobicContact CD2-CG 4.08Å; A270-R274 PolarHBondContact O-N 3.34Å; L271-R274 PolarHBondContact O-N 3.03Å; L272-R274 VanDerWaalsContact C-N 3.29Å; L272-R274 PolarHBondContact O-N 2.93Å; R274-L438 HydrophobicContact CB-CD2 4.14Å; R274-L438 HydrophobicContact CG-CD2 4.47Å
275	A	93.6	Very high	91.8	Very high	7 Å²	7	32.5 Å²	32.5	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-73.2	-43.7	-178.6	0	0	0	0	0	113.3	L243 I246 Q247 L271 L272	L243-A275 HydrophobicContact CD2-CB 3.67Å; I246-A275 HydrophobicContact CB-CB 3.92Å; I246-A275 HydrophobicContact CD1-CB 4.11Å; I246-A275 HydrophobicContact CG2-CB 3.59Å; Q247-A275 HydrophobicContact CG-CB 4.43Å; Q247-A275 VanDerWaalsContact CG-O 3.25Å; Q247-A275 WeakPolarHBondContact CG-O 3.43Å; Q247-A275 PolarHBondContact NE2-O 3.34Å; L271-A275 WeakPolarHBondContact O-CB 3.46Å; L271-A275 PolarHBondContact O-N 3.29Å; L272-A275 PolarHBondContact O-N 3.05Å
276	L	93.5	Very high	91.9	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.131	16%	0.156	C	C	.	.	H	α-helix	trans	-114.7	-13.5	-165.5	-59.7	172	0	0	0	114	I246 Q247 V250 V255 L272 K280 V281	I246-L276 HydrophobicContact CG2-CD1 3.81Å; I246-L276 HydrophobicContact CG2-CD2 4Å; I246-L276 HydrophobicContact CG2-CG 3.77Å; Q247-L276 HydrophobicContact CG-CD2 4.39Å; V250-L276 HydrophobicContact CB-CD1 4.1Å; V250-L276 HydrophobicContact CB-CD2 4.04Å; V250-L276 HydrophobicContact CG1-CD1 3.83Å; V250-L276 HydrophobicContact CG1-CD2 4.19Å; V250-L276 HydrophobicContact CG2-CD1 4.11Å; V255-L276 HydrophobicContact CB-CD1 4.43Å; V255-L276 HydrophobicContact CG2-CD1 3.44Å; V255-L276 VanDerWaalsContact CG2-CD1 3.44Å; L272-L276 HydrophobicContact CD2-CD1 4.36Å; L272-L276 WeakPolarHBondContact O-CB 3.24Å; L272-L276 PolarHBondContact O-N 3.12Å; L276-K280 HydrophobicContact CB-CB 4.03Å; L276-K280 HydrophobicContact CB-CD 4.45Å; L276-V281 HydrophobicContact CB-CG2 4.11Å; L276-V281 HydrophobicContact CD1-CG2 4.3Å
277	G	90.5	Very high	92	Very high	32 Å²	32	33.4 Å²	33.4	33%	0.33	16%	0.162	S	C	.	.			trans	82.2	159.8	-171.9	0	0	0	0	0	113.6	N273 E279 K280 V281	N273-G277 VanDerWaalsContact O-CA 3.23Å; N273-G277 WeakPolarHBondContact O-CA 3.45Å; N273-G277 PolarHBondContact O-N 2.98Å; G277-E279 PolarHBondContact O-N 3.01Å; G277-K280 PolarHBondContact O-N 3.21Å; G277-V281 PolarHBondContact O-N 3.49Å
278	K	87.9	Confident	92.1	Very high	153 Å²	153	33.5 Å²	33.5	67%	0.665	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.6	-172.4	-62.6	178.6	-179.6	176.9	0	114.4
279	E	87.7	Confident	92.1	Very high	176 Å²	176	34.2 Å²	34.2	82%	0.822	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-30.2	-178.3	-62.5	-174.5	173.2	0	0	113.2	G277	G277-E279 PolarHBondContact O-N 3.01Å
280	K	90	Very high	92.2	Very high	61 Å²	61	34.4 Å²	34.4	27%	0.265	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-22.2	-179.7	-73.4	-175	173.6	-179.1	0	112.3	K251 D252 K254 V255 L276 G277	K251-K280 PolarHBondContact O-NZ 2.95Å; D252-K280 IonicContact OD1-NZ 3.59Å; D252-K280 PolarHBondContact OD1-NZ 2.98Å; K254-K280 CarbonylContact C-O 3.51Å; K254-K280 VanDerWaalsContact CA-O 3.25Å; K254-K280 WeakPolarHBondContact CA-O 3.44Å; V255-K280 PolarHBondContact N-O 2.96Å; L276-K280 HydrophobicContact CB-CB 4.03Å; L276-K280 HydrophobicContact CB-CD 4.45Å; G277-K280 PolarHBondContact O-N 3.21Å
281	V	92.7	Very high	92.2	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126	-179.8	-174.7	0	0	0	0	109.8	V255 V257 L272 N273 L276 G277 P283	V255-V281 CarbonylContact O-C 3.54Å; V255-V281 WeakPolarHBondContact O-CA 3.28Å; V257-V281 HydrophobicContact CG1-CG1 3.89Å; L272-V281 HydrophobicContact CB-CG1 4.1Å; L272-V281 HydrophobicContact CB-CG2 3.82Å; N273-V281 WeakPolarHBondContact OD1-CB 3.47Å; N273-V281 WeakPolarHBondContact OD1-CG1 3.17Å; L276-V281 HydrophobicContact CB-CG2 4.11Å; L276-V281 HydrophobicContact CD1-CG2 4.3Å; G277-V281 PolarHBondContact O-N 3.49Å; V281-P283 WeakPolarHBondContact O-CD 3.4Å
282	V	90.9	Very high	92.2	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	88.6	177	-174.9	0	0	0	0	108	K254 V255 I256 V257 I284 L367	K254-V282 HydrophobicContact CD-CG2 4.47Å; V255-V282 PolarHBondContact O-N 3.37Å; I256-V282 WeakPolarHBondContact CA-O 3.28Å; I256-V282 HydrophobicContact CG1-CB 4.21Å; V257-V282 PolarHBondContact N-O 3.04Å; V257-V282 VanDerWaalsContact N-O 3.07Å; V282-I284 HydrophobicContact CG1-CG1 4.25Å; V282-L367 HydrophobicContact CG1-CD1 3.85Å; V282-L367 HydrophobicContact CG2-CD1 4.37Å
283	P	92.3	Very high	92.1	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.045	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.3	177.4	34.3	-34.8	0	0	0	110.1	V257 V281 V308 N309 V310 Q311	V257-P283 HydrophobicContact CG1-CB 3.67Å; V257-P283 WeakPolarHBondContact O-CA 3.49Å; V281-P283 WeakPolarHBondContact O-CD 3.4Å; P283-V308 HydrophobicContact CB-CG1 3.82Å; P283-V308 HydrophobicContact CG-CG1 3.95Å; P283-N309 VanDerWaalsContact CG-O 3.27Å; P283-N309 WeakPolarHBondContact CG-O 3.47Å; P283-V310 HydrophobicContact CB-CG1 4.07Å; P283-V310 HydrophobicContact CG-CG1 4.45Å; P283-V310 WeakPolarHBondContact O-CA 3.49Å; P283-Q311 PolarHBondContact O-N 3.23Å
284	I	91.3	Very high	92	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126	-176.3	-57.1	168.2	0	0	0	108.5	I256 V257 L258 C259 V282 V286 L313 V363	I256-I284 HydrophobicContact CG2-CD1 3.49Å; I256-I284 VanDerWaalsContact CG2-CD1 3.49Å; I256-I284 HydrophobicContact CG2-CG1 4.35Å; V257-I284 PolarHBondContact O-N 3.14Å; L258-I284 HydrophobicContact CD2-CB 4.07Å; L258-I284 HydrophobicContact CD2-CD1 4.44Å; L258-I284 HydrophobicContact CD2-CG2 4.33Å; C259-I284 PolarHBondContact N-O 3.39Å; V282-I284 HydrophobicContact CG1-CG1 4.25Å; I284-V286 HydrophobicContact CG2-CG2 3.93Å; I284-L313 HydrophobicContact CG2-CD1 3.53Å; I284-L313 HydrophobicContact CG2-CG 4.05Å; I284-V363 HydrophobicContact CD1-CB 4Å; I284-V363 HydrophobicContact CD1-CG1 3.5Å; I284-V363 VanDerWaalsContact CD1-CG1 3.5Å; I284-V363 HydrophobicContact CD1-CG2 4.13Å; I284-V363 HydrophobicContact CG1-CG1 4.36Å
285	F	92.5	Very high	91.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.5	169.3	-178.7	-91.9	0	0	0	109.1	C259 D287 L291 T296 V299 V300 V310 Q311 V312 L313	C259-F285 WeakPolarHBondContact O-CD2 3.29Å; F285-D287 HydrophobicContact CE1-CB 4.28Å; F285-L291 HydrophobicContact CE1-CD1 4Å; F285-L291 HydrophobicContact CZ-CD1 3.6Å; F285-T296 HydrophobicContact CD1-CG2 4.36Å; F285-T296 HydrophobicContact CE1-CG2 3.78Å; F285-V299 HydrophobicContact CD2-CG1 3.72Å; F285-V299 HydrophobicContact CE2-CB 4.02Å; F285-V299 HydrophobicContact CE2-CG1 3.49Å; F285-V299 VanDerWaalsContact CE2-CG1 3.49Å; F285-V299 HydrophobicContact CE2-CG2 4.41Å; F285-V299 HydrophobicContact CZ-CB 4.3Å; F285-V299 HydrophobicContact CZ-CG1 4.23Å; F285-V300 HydrophobicContact CD1-CG2 4.34Å; F285-V310 HydrophobicContact CB-CB 4.08Å; F285-V310 HydrophobicContact CB-CG1 4.39Å; F285-V310 HydrophobicContact CB-CG2 4.19Å; F285-Q311 PolarHBondContact N-O 2.86Å; F285-V312 HydrophobicContact CD1-CG1 4.32Å; F285-V312 WeakPolarHBondContact O-CA 3.24Å; F285-L313 PolarHBondContact O-N 2.94Å
286	V	91.8	Very high	91.7	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.055	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.8	-179.7	-174.9	0	0	0	0	109.4	I284 T288 L313 K315 F319 F356 I359	I284-V286 HydrophobicContact CG2-CG2 3.93Å; V286-T288 HydrophobicContact CG1-CG2 4.42Å; V286-T288 PolarHBondContact O-N 2.78Å; V286-L313 WeakPolarHBondContact CA-O 3.19Å; V286-L313 HydrophobicContact CG2-CD1 4.48Å; V286-K315 HydrophobicContact CG1-CB 4.19Å; V286-K315 HydrophobicContact CG1-CG 4.29Å; V286-F319 HydrophobicContact CG1-CE2 3.72Å; V286-F319 HydrophobicContact CG1-CZ 4.3Å; V286-F356 HydrophobicContact CB-CD1 4.35Å; V286-F356 HydrophobicContact CB-CE1 3.69Å; V286-F356 HydrophobicContact CB-CZ 4.45Å; V286-F356 HydrophobicContact CG1-CE1 4.08Å; V286-F356 HydrophobicContact CG2-CD1 4.29Å; V286-F356 HydrophobicContact CG2-CE1 4.03Å; V286-I359 HydrophobicContact CG1-CD1 4.04Å; V286-I359 HydrophobicContact CG2-CG2 4.21Å
287	D	93.3	Very high	91.7	Very high	24 Å²	24	39.8 Å²	39.8	13%	0.128	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	107.1	168.5	-174.7	-16.6	0	0	0	108.9	F285 G289 L291 T296 L313 R314 K315	F285-D287 HydrophobicContact CE1-CB 4.28Å; D287-G289 VanDerWaalsContact C-N 3.28Å; D287-G289 PolarHBondContact O-N 3.4Å; D287-G289 PolarHBondContact OD1-N 3.1Å; D287-L291 HydrophobicContact CB-CD1 4.29Å; D287-T296 HydrophobicContact CB-CG2 4.35Å; D287-T296 PolarHBondContact OD2-OG1 3.11Å; D287-L313 PolarHBondContact N-O 3.35Å; D287-R314 HydrophobicContact CB-CG 4.15Å; D287-K315 PolarHBondContact O-N 3.24Å
288	T	93.3	Very high	91.5	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	20%	0.202	C	C	.	.			trans	-80.9	-7.2	-178	64.5	0	0	0	0	113.2	V286 F290 F319 F356	V286-T288 HydrophobicContact CG1-CG2 4.42Å; V286-T288 PolarHBondContact O-N 2.78Å; T288-F290 VanDerWaalsContact O-CD2 3.26Å; T288-F290 WeakPolarHBondContact O-CD2 3.46Å; T288-F290 PolarHBondContact O-N 2.99Å; T288-F290 PolarHBondContact OG1-N 3.3Å; T288-F319 HydrophobicContact CG2-CD1 4.41Å; T288-F319 HydrophobicContact CG2-CD2 4.03Å; T288-F319 HydrophobicContact CG2-CE1 4.07Å; T288-F319 HydrophobicContact CG2-CE2 3.68Å; T288-F319 HydrophobicContact CG2-CG 4.39Å; T288-F319 HydrophobicContact CG2-CZ 3.7Å; T288-F356 HydrophobicContact CG2-CE1 4.33Å; T288-F356 HydrophobicContact CG2-CE2 3.7Å; T288-F356 HydrophobicContact CG2-CZ 3.42Å; T288-F356 VanDerWaalsContact CG2-CZ 3.42Å
289	G	93.3	Very high	91.5	Very high	15 Å²	15	33.3 Å²	33.3	16%	0.155	17%	0.172	C	C	.	.	S	Bend	trans	75.7	-5.7	-167.6	0	0	0	0	0	114.3	D287 R603	D287-G289 VanDerWaalsContact C-N 3.28Å; D287-G289 PolarHBondContact O-N 3.4Å; D287-G289 PolarHBondContact OD1-N 3.1Å; G289-R603 PolarHBondContact O-NH2 3.24Å
290	F	95	Very high	91.6	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.013	14%	0.143	C	C	.	.			trans	-106.2	18.1	177.1	-60.2	-80.9	0	0	0	112.9	T288 F319 L339 G454 L455 A456 L594 I599	T288-F290 VanDerWaalsContact O-CD2 3.26Å; T288-F290 WeakPolarHBondContact O-CD2 3.46Å; T288-F290 PolarHBondContact O-N 2.99Å; T288-F290 PolarHBondContact OG1-N 3.3Å; F290-F319 HydrophobicContact CE2-CB 4.07Å; F290-L339 HydrophobicContact CD2-CD2 4.43Å; F290-L339 HydrophobicContact CE2-CD2 3.52Å; F290-L339 HydrophobicContact CZ-CD2 3.76Å; F290-L339 HydrophobicContact CZ-CG 4.38Å; F290-G454 CarbonylContact O-C 3.59Å; F290-G454 WeakPolarHBondContact O-CA 3.39Å; F290-L455 HydrophobicContact CB-CB 4.38Å; F290-L455 WeakPolarHBondContact O-CB 3.44Å; F290-L455 WeakPolarHBondContact O-CG 3.05Å; F290-L455 PolarHBondContact O-N 2.93Å; F290-A456 HydrophobicContact CB-CB 4.4Å; F290-A456 HydrophobicContact CD1-CB 3.78Å; F290-A456 HydrophobicContact CD2-CB 4.44Å; F290-A456 HydrophobicContact CE1-CB 4.11Å; F290-A456 HydrophobicContact CG-CB 3.95Å; F290-L594 HydrophobicContact CE1-CB 4.31Å; F290-L594 HydrophobicContact CE1-CD1 3.93Å; F290-L594 HydrophobicContact CE1-CD2 4.43Å; F290-L594 HydrophobicContact CE1-CG 4.47Å; F290-L594 HydrophobicContact CZ-CD1 4.26Å; F290-I599 HydrophobicContact CD1-CD1 4.16Å; F290-I599 HydrophobicContact CD1-CG1 4.32Å; F290-I599 HydrophobicContact CD1-CG2 4.33Å; F290-I599 HydrophobicContact CE1-CD1 3.47Å; F290-I599 VanDerWaalsContact CE1-CD1 3.47Å; F290-I599 HydrophobicContact CE1-CG1 3.96Å; F290-I599 HydrophobicContact CZ-CD1 4.19Å
291	L	93.3	Very high	91.6	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.084	16%	0.163	C	C	.	.	S	Bend	trans	-80.4	165.9	175.9	-59.9	-177	0	0	0	111.8	F285 D287 E295 L455 R603	F285-L291 HydrophobicContact CE1-CD1 4Å; F285-L291 HydrophobicContact CZ-CD1 3.6Å; D287-L291 HydrophobicContact CB-CD1 4.29Å; L291-E295 WeakPolarHBondContact CA-OE2 3.43Å; L291-E295 HydrophobicContact CB-CB 4.14Å; L291-E295 HydrophobicContact CB-CG 4.28Å; L291-E295 WeakPolarHBondContact CB-OE2 3.27Å; L291-L455 WeakPolarHBondContact O-CD1 3.47Å; L291-R603 WeakPolarHBondContact O-CD 3.5Å; L291-R603 PolarHBondContact O-NE 2.91Å
292	R	92.8	Very high	91.2	Very high	34 Å²	34	32 Å²	32	13%	0.128	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-66.3	167	175.1	-50	-178.7	-165.2	-161.2	8.8	111.1	N294 E295 H448 P449 F450 D606 N610	R292-N294 PolarHBondContact O-N 3.32Å; R292-E295 HydrophobicContact CB-CB 4.03Å; R292-E295 WeakPolarHBondContact CB-OE2 3.38Å; R292-E295 WeakPolarHBondContact CG-OE2 3.43Å; R292-E295 PolarHBondContact N-OE2 2.84Å; R292-E295 VanDerWaalsContact O-CB 3.27Å; R292-E295 WeakPolarHBondContact O-CB 3.42Å; R292-E295 PolarHBondContact O-N 3.24Å; R292-H448 PolarHBondContact NH2-O 3.41Å; R292-H448 VanDerWaalsContact NH2-O 3.09Å; R292-P449 PolarHBondContact NH2-O 3.2Å; R292-F450 HydrophobicContact CG-CD1 4.35Å; R292-F450 HydrophobicContact CG-CD2 4.06Å; R292-F450 HydrophobicContact CG-CE1 3.98Å; R292-F450 HydrophobicContact CG-CE2 3.68Å; R292-F450 HydrophobicContact CG-CG 4.39Å; R292-F450 HydrophobicContact CG-CZ 3.64Å; R292-D606 WeakPolarHBondContact CD-OD2 3.32Å; R292-D606 WeakPolarHBondContact CG-OD2 3.42Å; R292-D606 IonicContact NE-OD2 3.88Å; R292-N610 PolarHBondContact NH1-OD1 3.31Å
293	K	93.4	Very high	91	Very high	70 Å²	70	31.4 Å²	31.4	30%	0.304	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	128.8	179.4	-159.8	166.4	-178.1	168.2	0	110	E295 R603 E604 Y607	K293-E295 PolarHBondContact O-N 3.15Å; K293-E295 VanDerWaalsContact O-N 3.11Å; K293-R603 HydrophobicContact CB-CG 3.92Å; K293-R603 VanDerWaalsContact N-CG 3.26Å; K293-E604 IonicContact NZ-OE1 3.48Å; K293-E604 PolarHBondContact NZ-OE1 3.41Å; K293-Y607 HydrophobicContact CB-CD2 3.85Å; K293-Y607 HydrophobicContact CB-CG 4Å; K293-Y607 HydrophobicContact CD-CD1 4.12Å; K293-Y607 HydrophobicContact CD-CD2 4.29Å; K293-Y607 HydrophobicContact CD-CG 3.89Å; K293-Y607 HydrophobicContact CG-CD2 4.39Å; K293-Y607 HydrophobicContact CG-CG 4.43Å
294	N	90.8	Very high	90.9	Very high	104 Å²	104	35.9 Å²	35.9	56%	0.556	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	21.8	-179.9	-50.1	-18	0	0	0	114	R292 A298	R292-N294 PolarHBondContact O-N 3.32Å; N294-A298 PolarHBondContact O-N 3.1Å
295	E	88.9	Confident	90.5	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-70	-40.2	-175.1	174.5	158.7	-138	0	0	112.4	L291 R292 K293 E297 A298 V299 R447	L291-E295 WeakPolarHBondContact CA-OE2 3.43Å; L291-E295 HydrophobicContact CB-CB 4.14Å; L291-E295 HydrophobicContact CB-CG 4.28Å; L291-E295 WeakPolarHBondContact CB-OE2 3.27Å; R292-E295 HydrophobicContact CB-CB 4.03Å; R292-E295 WeakPolarHBondContact CB-OE2 3.38Å; R292-E295 WeakPolarHBondContact CG-OE2 3.43Å; R292-E295 PolarHBondContact N-OE2 2.84Å; R292-E295 VanDerWaalsContact O-CB 3.27Å; R292-E295 WeakPolarHBondContact O-CB 3.42Å; R292-E295 PolarHBondContact O-N 3.24Å; K293-E295 PolarHBondContact O-N 3.15Å; K293-E295 VanDerWaalsContact O-N 3.11Å; E295-E297 PolarHBondContact O-N 3.15Å; E295-A298 PolarHBondContact O-N 3.46Å; E295-V299 HydrophobicContact CG-CG2 4Å; E295-V299 WeakPolarHBondContact O-CB 3.45Å; E295-V299 VanDerWaalsContact O-CG2 3.29Å; E295-V299 WeakPolarHBondContact O-CG2 3.45Å; E295-V299 PolarHBondContact O-N 3.4Å; E295-R447 IonicContact OE1-CZ 2.78Å; E295-R447 IonicContact OE1-NH1 3.35Å; E295-R447 PolarHBondContact OE1-NH1 2.94Å; E295-R447 IonicContact OE1-NH2 2.6Å; E295-R447 PolarHBondContact OE1-NH2 2.9Å
296	T	91.5	Very high	89.9	Confident	6 Å²	6	41.3 Å²	41.3	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-52.2	-178.4	-64.1	0	0	0	0	110.9	F285 D287 A298 V299 V300 V312	F285-T296 HydrophobicContact CD1-CG2 4.36Å; F285-T296 HydrophobicContact CE1-CG2 3.78Å; D287-T296 HydrophobicContact CB-CG2 4.35Å; D287-T296 PolarHBondContact OD2-OG1 3.11Å; T296-A298 PolarHBondContact O-N 3.39Å; T296-V299 PolarHBondContact O-N 2.89Å; T296-V300 WeakPolarHBondContact O-CB 3.22Å; T296-V300 WeakPolarHBondContact O-CG2 3.5Å; T296-V300 PolarHBondContact O-N 3.26Å; T296-V312 HydrophobicContact CG2-CG1 4.18Å
297	E	92	Very high	89.5	Confident	96 Å²	96	42 Å²	42	45%	0.449	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-46.6	-178.6	-66.7	66.6	-143.3	0	0	110.9	E295 V299 V300 E301 R314	E295-E297 PolarHBondContact O-N 3.15Å; E297-V299 PolarHBondContact O-N 3.22Å; E297-V300 PolarHBondContact O-N 3.22Å; E297-E301 WeakPolarHBondContact O-CB 3.37Å; E297-E301 PolarHBondContact O-N 3.41Å; E297-R314 IonicContact OE1-CZ 2.7Å; E297-R314 IonicContact OE1-NH2 3.35Å; E297-R314 PolarHBondContact OE1-NH2 3.49Å
298	A	86.9	Confident	89.2	Confident	44 Å²	44	40.9 Å²	40.9	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-62.2	-42	179.7	0	0	0	0	0	112.8	N294 E295 T296 S302	N294-A298 PolarHBondContact O-N 3.1Å; E295-A298 PolarHBondContact O-N 3.46Å; T296-A298 PolarHBondContact O-N 3.39Å; A298-S302 VanDerWaalsContact O-CB 3.27Å; A298-S302 WeakPolarHBondContact O-CB 3.44Å; A298-S302 PolarHBondContact O-N 3.28Å; A298-S302 PolarHBondContact O-OG 2.7Å
299	V	87.3	Confident	89	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-45	177.9	169.4	0	0	0	0	111.1	F285 E295 T296 E297 S302 L303	F285-V299 HydrophobicContact CD2-CG1 3.72Å; F285-V299 HydrophobicContact CE2-CB 4.02Å; F285-V299 HydrophobicContact CE2-CG1 3.49Å; F285-V299 VanDerWaalsContact CE2-CG1 3.49Å; F285-V299 HydrophobicContact CE2-CG2 4.41Å; F285-V299 HydrophobicContact CZ-CB 4.3Å; F285-V299 HydrophobicContact CZ-CG1 4.23Å; E295-V299 HydrophobicContact CG-CG2 4Å; E295-V299 WeakPolarHBondContact O-CB 3.45Å; E295-V299 VanDerWaalsContact O-CG2 3.29Å; E295-V299 WeakPolarHBondContact O-CG2 3.45Å; E295-V299 PolarHBondContact O-N 3.4Å; T296-V299 PolarHBondContact O-N 2.89Å; E297-V299 PolarHBondContact O-N 3.22Å; V299-S302 PolarHBondContact O-N 2.82Å; V299-L303 HydrophobicContact CG1-CD1 3.7Å; V299-L303 HydrophobicContact CG1-CG 4.26Å; V299-L303 WeakPolarHBondContact O-CB 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 2.58Å
300	V	90.9	Very high	88.9	Confident	37 Å²	37	46.1 Å²	46.1	22%	0.224	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-47	-178.6	171.2	0	0	0	0	110.7	F285 T296 E297 S302 L303 L304 V310 V312	F285-V300 HydrophobicContact CD1-CG2 4.34Å; T296-V300 WeakPolarHBondContact O-CB 3.22Å; T296-V300 WeakPolarHBondContact O-CG2 3.5Å; T296-V300 PolarHBondContact O-N 3.26Å; E297-V300 PolarHBondContact O-N 3.22Å; V300-S302 VanDerWaalsContact C-N 3.34Å; V300-S302 PolarHBondContact O-N 3.22Å; V300-L303 PolarHBondContact O-N 2.87Å; V300-L304 VanDerWaalsContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CB 3.43Å; V300-L304 PolarHBondContact O-N 3.34Å; V300-V310 HydrophobicContact CB-CG2 4.35Å; V300-V310 HydrophobicContact CG1-CG2 4.09Å; V300-V310 HydrophobicContact CG2-CG2 3.96Å; V300-V312 HydrophobicContact CB-CG2 4.46Å; V300-V312 HydrophobicContact CG1-CG2 4.12Å; V300-V312 HydrophobicContact CG2-CG2 3.44Å; V300-V312 VanDerWaalsContact CG2-CG2 3.44Å
301	E	89.5	Confident	88.8	Confident	145 Å²	145	50.1 Å²	50.1	68%	0.678	28%	0.276	S	S	*	.	H	α-helix	trans	-59.4	-45.6	175.9	-176.2	176.7	-166.1	0	0	111.5	E297 L303 L304 S305	E297-E301 WeakPolarHBondContact O-CB 3.37Å; E297-E301 PolarHBondContact O-N 3.41Å; E301-L303 PolarHBondContact O-N 2.78Å; E301-L304 PolarHBondContact O-N 2.84Å; E301-S305 PolarHBondContact O-N 3.49Å
302	S	84.6	Confident	88.8	Confident	31 Å²	31	51.7 Å²	51.7	22%	0.217	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-44.9	179.8	-58	0	0	0	0	111.5	A298 V299 V300 S305 C306	A298-S302 VanDerWaalsContact O-CB 3.27Å; A298-S302 WeakPolarHBondContact O-CB 3.44Å; A298-S302 PolarHBondContact O-N 3.28Å; A298-S302 PolarHBondContact O-OG 2.7Å; V299-S302 PolarHBondContact O-N 2.82Å; V300-S302 VanDerWaalsContact C-N 3.34Å; V300-S302 PolarHBondContact O-N 3.22Å; S302-S305 PolarHBondContact O-N 2.88Å; S302-S305 PolarHBondContact O-OG 3.39Å; S302-C306 PolarHBondContact O-N 3.39Å; S302-C306 PolarHBondContact O-SG 3.49Å
303	L	87	Confident	88.9	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-39.3	178	-72.7	174.6	0	0	0	112.3	C259 V299 V300 E301 S305 C306 G307 V308 V310 I444	C259-L303 HydrophobicContact CB-CD1 3.87Å; V299-L303 HydrophobicContact CG1-CD1 3.7Å; V299-L303 HydrophobicContact CG1-CG 4.26Å; V299-L303 WeakPolarHBondContact O-CB 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 2.58Å; V300-L303 PolarHBondContact O-N 2.87Å; E301-L303 PolarHBondContact O-N 2.78Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 2.98Å; L303-C306 WeakPolarHBondContact O-CB 3.37Å; L303-C306 PolarHBondContact O-N 3.34Å; L303-C306 VanDerWaalsContact O-N 3.1Å; L303-G307 PolarHBondContact O-N 2.93Å; L303-V308 CarbonylContact C-O 3.53Å; L303-V308 HydrophobicContact CB-CB 4.24Å; L303-V308 HydrophobicContact CD2-CB 4.48Å; L303-V308 WeakPolarHBondContact O-CA 3.46Å; L303-V308 WeakPolarHBondContact O-CB 3.31Å; L303-V308 PolarHBondContact O-N 2.91Å; L303-V310 HydrophobicContact CB-CG1 4.31Å; L303-V310 HydrophobicContact CD1-CG1 3.62Å; L303-I444 HydrophobicContact CD2-CD1 4.45Å
304	L	89.7	Confident	89	Confident	101 Å²	101	55.6 Å²	55.6	53%	0.529	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-40.9	177.1	-176	63.3	0	0	0	111.6	V300 E301 C306 G307 N309	V300-L304 VanDerWaalsContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CB 3.43Å; V300-L304 PolarHBondContact O-N 3.34Å; E301-L304 PolarHBondContact O-N 2.84Å; L304-C306 PolarHBondContact O-N 2.93Å; L304-G307 PolarHBondContact O-N 3.18Å; L304-N309 HydrophobicContact CD1-CB 4.37Å
305	S	83.6	Confident	89.1	Confident	90 Å²	90	51.8 Å²	51.8	63%	0.629	28%	0.28	S	S	*	.	H	α-helix	trans	-62.6	-22.8	176.3	69.3	0	0	0	0	113.6	E301 S302 L303 G307	E301-S305 PolarHBondContact O-N 3.49Å; S302-S305 PolarHBondContact O-N 2.88Å; S302-S305 PolarHBondContact O-OG 3.39Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 2.98Å; S305-G307 VanDerWaalsContact C-N 3.31Å
306	C	79.5	Confident	89.4	Confident	27 Å²	27	54 Å²	54	18%	0.182	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	7.5	174.3	-52	0	0	0	0	113.1	S302 L303 L304 V308 L440 P441	S302-C306 PolarHBondContact O-N 3.39Å; S302-C306 PolarHBondContact O-SG 3.49Å; L303-C306 WeakPolarHBondContact O-CB 3.37Å; L303-C306 PolarHBondContact O-N 3.34Å; L303-C306 VanDerWaalsContact O-N 3.1Å; L304-C306 PolarHBondContact O-N 2.93Å; C306-V308 VanDerWaalsContact C-N 3.27Å; C306-V308 HydrophobicContact CB-CG2 4.48Å; C306-V308 PolarHBondContact O-N 3.4Å; C306-L440 HydrophobicContact CB-CG 4.32Å; C306-P441 WeakPolarHBondContact SG-CD 3.46Å
307	G	83	Confident	89.6	Confident	23 Å²	23	59 Å²	59	24%	0.237	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	13.3	-175.7	0	0	0	0	0	114.7	N273 L303 L304 S305	N273-G307 PolarHBondContact ND2-O 2.96Å; L303-G307 PolarHBondContact O-N 2.93Å; L304-G307 PolarHBondContact O-N 3.18Å; S305-G307 VanDerWaalsContact C-N 3.31Å
308	V	87.4	Confident	89.7	Confident	1 Å²	1	58 Å²	58	1%	0.006	32%	0.317	C	S	.	.			trans	-94.7	92.1	173.5	-174.7	0	0	0	0	108.9	A269 A270 P283 L303 C306 V310	A269-V308 HydrophobicContact CB-CG1 3.88Å; A269-V308 HydrophobicContact CB-CG2 4.42Å; A270-V308 HydrophobicContact CB-CG2 4.25Å; P283-V308 HydrophobicContact CB-CG1 3.82Å; P283-V308 HydrophobicContact CG-CG1 3.95Å; L303-V308 CarbonylContact C-O 3.53Å; L303-V308 HydrophobicContact CB-CB 4.24Å; L303-V308 HydrophobicContact CD2-CB 4.48Å; L303-V308 WeakPolarHBondContact O-CA 3.46Å; L303-V308 WeakPolarHBondContact O-CB 3.31Å; L303-V308 PolarHBondContact O-N 2.91Å; C306-V308 VanDerWaalsContact C-N 3.27Å; C306-V308 HydrophobicContact CB-CG2 4.48Å; C306-V308 PolarHBondContact O-N 3.4Å; V308-V310 HydrophobicContact CG1-CG1 4.09Å; V308-V310 PolarHBondContact O-N 2.81Å; V308-V310 VanDerWaalsContact O-N 3.1Å
309	N	89.8	Confident	90.1	Very high	118 Å²	118	55.9 Å²	55.9	63%	0.631	30%	0.3	S	S	*	.			trans	-79.8	90.5	179	-173.8	13.9	0	0	0	111.3	P283 L304	P283-N309 VanDerWaalsContact CG-O 3.27Å; P283-N309 WeakPolarHBondContact CG-O 3.47Å; L304-N309 HydrophobicContact CD1-CB 4.37Å
310	V	91.4	Very high	90.5	Very high	10 Å²	10	58 Å²	58	6%	0.061	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-73.6	137.3	-178.3	-68.7	0	0	0	0	113.2	C259 P283 F285 V300 L303 V308 V312	C259-V310 HydrophobicContact CB-CG1 4.09Å; P283-V310 HydrophobicContact CB-CG1 4.07Å; P283-V310 HydrophobicContact CG-CG1 4.45Å; P283-V310 WeakPolarHBondContact O-CA 3.49Å; F285-V310 HydrophobicContact CB-CB 4.08Å; F285-V310 HydrophobicContact CB-CG1 4.39Å; F285-V310 HydrophobicContact CB-CG2 4.19Å; V300-V310 HydrophobicContact CB-CG2 4.35Å; V300-V310 HydrophobicContact CG1-CG2 4.09Å; V300-V310 HydrophobicContact CG2-CG2 3.96Å; L303-V310 HydrophobicContact CB-CG1 4.31Å; L303-V310 HydrophobicContact CD1-CG1 3.62Å; V308-V310 HydrophobicContact CG1-CG1 4.09Å; V308-V310 PolarHBondContact O-N 2.81Å; V308-V310 VanDerWaalsContact O-N 3.1Å; V310-V312 HydrophobicContact CG2-CG2 4.13Å; V310-V312 PolarHBondContact O-N 3.49Å
311	Q	92.1	Very high	90.6	Very high	87 Å²	87	62.4 Å²	62.4	41%	0.407	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.3	161.7	-65.3	-173.5	10.1	0	0	109.3	P283 F285	P283-Q311 PolarHBondContact O-N 3.23Å; F285-Q311 PolarHBondContact N-O 2.86Å
312	V	94.2	Very high	90.8	Very high	49 Å²	49	56 Å²	56	30%	0.297	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.8	-177.6	-177	0	0	0	0	110.1	F285 T296 V300 V310 R314	F285-V312 HydrophobicContact CD1-CG1 4.32Å; F285-V312 WeakPolarHBondContact O-CA 3.24Å; T296-V312 HydrophobicContact CG2-CG1 4.18Å; V300-V312 HydrophobicContact CB-CG2 4.46Å; V300-V312 HydrophobicContact CG1-CG2 4.12Å; V300-V312 HydrophobicContact CG2-CG2 3.44Å; V300-V312 VanDerWaalsContact CG2-CG2 3.44Å; V310-V312 HydrophobicContact CG2-CG2 4.13Å; V310-V312 PolarHBondContact O-N 3.49Å; V312-R314 HydrophobicContact CG1-CG 4.42Å
313	L	93.8	Very high	90.9	Very high	38 Å²	38	57 Å²	57	20%	0.199	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108	176.1	-55.9	178.8	0	0	0	109.4	I284 F285 V286 D287 K315 I359 V363	I284-L313 HydrophobicContact CG2-CD1 3.53Å; I284-L313 HydrophobicContact CG2-CG 4.05Å; F285-L313 PolarHBondContact O-N 2.94Å; V286-L313 WeakPolarHBondContact CA-O 3.19Å; V286-L313 HydrophobicContact CG2-CD1 4.48Å; D287-L313 PolarHBondContact N-O 3.35Å; L313-K315 HydrophobicContact CB-CG 4.09Å; L313-K315 PolarHBondContact O-N 2.9Å; L313-I359 HydrophobicContact CD1-CG2 3.7Å; L313-V363 HydrophobicContact CD1-CG2 3.33Å
314	R	94.6	Very high	90.4	Very high	148 Å²	148	57.6 Å²	57.6	56%	0.558	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.7	172.8	-68.6	-169.1	169.9	88.8	-4	109.1	D287 E297 V312	D287-R314 HydrophobicContact CB-CG 4.15Å; E297-R314 IonicContact OE1-CZ 2.7Å; E297-R314 IonicContact OE1-NH2 3.35Å; E297-R314 PolarHBondContact OE1-NH2 3.49Å; V312-R314 HydrophobicContact CG1-CG 4.42Å
315	K	94.8	Very high	89.4	Confident	23 Å²	23	59.4 Å²	59.4	10%	0.1	31%	0.307	C	S	.	.			trans	-120.5	26.2	-171.7	-66.2	-66.6	-166.4	175.4	0	112.3	V286 D287 L313 L317 E318 F319 I359 E362	V286-K315 HydrophobicContact CG1-CB 4.19Å; V286-K315 HydrophobicContact CG1-CG 4.29Å; D287-K315 PolarHBondContact O-N 3.24Å; L313-K315 HydrophobicContact CB-CG 4.09Å; L313-K315 PolarHBondContact O-N 2.9Å; K315-L317 VanDerWaalsContact C-N 3.33Å; K315-L317 PolarHBondContact O-N 3.48Å; K315-E318 VanDerWaalsContact CA-OE2 3.23Å; K315-E318 WeakPolarHBondContact CA-OE2 3.31Å; K315-E318 HydrophobicContact CB-CB 4.41Å; K315-E318 VanDerWaalsContact CD-CD 3.45Å; K315-E318 HydrophobicContact CD-CG 4.2Å; K315-E318 WeakPolarHBondContact CD-OE1 3.26Å; K315-E318 IonicContact NZ-OE1 2.78Å; K315-E318 PolarHBondContact NZ-OE1 3.02Å; K315-E318 PolarHBondContact O-N 3.45Å; K315-F319 HydrophobicContact CB-CD2 4Å; K315-F319 HydrophobicContact CB-CE2 4.04Å; K315-F319 VanDerWaalsContact O-CD2 3.28Å; K315-F319 WeakPolarHBondContact O-CD2 3.25Å; K315-F319 PolarHBondContact O-N 3.34Å; K315-I359 HydrophobicContact CB-CD1 3.76Å; K315-I359 HydrophobicContact CD-CD1 4.44Å; K315-I359 HydrophobicContact CD-CG1 4.42Å; K315-I359 HydrophobicContact CG-CD1 3.76Å; K315-I359 HydrophobicContact CG-CG1 4.16Å; K315-I359 HydrophobicContact CG-CG2 4.38Å; K315-E362 IonicContact NZ-OE1 3.87Å; K315-E362 PolarHBondContact NZ-OE1 3.22Å; K315-E362 IonicContact NZ-OE2 3.77Å; K315-E362 PolarHBondContact NZ-OE2 3.22Å; K315-E362 VanDerWaalsContact NZ-OE2 3.16Å
316	S	94	Very high	87.9	Confident	54 Å²	54	58 Å²	58	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-41.5	-171.8	57.2	0	0	0	0	113.3	Y320	S316-Y320 WeakPolarHBondContact O-CB 3.21Å; S316-Y320 PolarHBondContact O-N 3.3Å
317	L	95.3	Very high	86.5	Confident	109 Å²	109	61.8 Å²	61.8	57%	0.571	33%	0.33	S	S	*	.	H	α-helix	trans	-71	-40.2	178.4	-65.9	179.9	0	0	0	111.8	K315 F319 Y320 Y321	K315-L317 VanDerWaalsContact C-N 3.33Å; K315-L317 PolarHBondContact O-N 3.48Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 PolarHBondContact O-N 3.23Å; L317-Y320 PolarHBondContact O-N 3.19Å; L317-Y321 HydrophobicContact CD2-CE2 4.2Å; L317-Y321 WeakPolarHBondContact O-CD2 3.21Å; L317-Y321 PolarHBondContact O-N 3.06Å
318	E	94.6	Very high	84.8	Confident	76 Å²	76	66 Å²	66	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-43.4	177.3	-66	91.9	142.9	0	0	111.1	K315 A322	K315-E318 VanDerWaalsContact CA-OE2 3.23Å; K315-E318 WeakPolarHBondContact CA-OE2 3.31Å; K315-E318 HydrophobicContact CB-CB 4.41Å; K315-E318 VanDerWaalsContact CD-CD 3.45Å; K315-E318 HydrophobicContact CD-CG 4.2Å; K315-E318 WeakPolarHBondContact CD-OE1 3.26Å; K315-E318 IonicContact NZ-OE1 2.78Å; K315-E318 PolarHBondContact NZ-OE1 3.02Å; K315-E318 PolarHBondContact O-N 3.45Å; E318-A322 WeakPolarHBondContact O-CA 3.26Å; E318-A322 VanDerWaalsContact O-CB 3.26Å; E318-A322 WeakPolarHBondContact O-CB 3.14Å; E318-A322 PolarHBondContact O-N 2.93Å
319	F	94.9	Very high	82.8	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-68.3	-44.1	172.9	-81.3	-85	0	0	0	112.1	V286 T288 F290 K315 L317 Y321 A322 L339 I352 T355 F356 I359	V286-F319 HydrophobicContact CG1-CE2 3.72Å; V286-F319 HydrophobicContact CG1-CZ 4.3Å; T288-F319 HydrophobicContact CG2-CD1 4.41Å; T288-F319 HydrophobicContact CG2-CD2 4.03Å; T288-F319 HydrophobicContact CG2-CE1 4.07Å; T288-F319 HydrophobicContact CG2-CE2 3.68Å; T288-F319 HydrophobicContact CG2-CG 4.39Å; T288-F319 HydrophobicContact CG2-CZ 3.7Å; F290-F319 HydrophobicContact CE2-CB 4.07Å; K315-F319 HydrophobicContact CB-CD2 4Å; K315-F319 HydrophobicContact CB-CE2 4.04Å; K315-F319 VanDerWaalsContact O-CD2 3.28Å; K315-F319 WeakPolarHBondContact O-CD2 3.25Å; K315-F319 PolarHBondContact O-N 3.34Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 PolarHBondContact O-N 3.23Å; F319-Y321 VanDerWaalsContact C-N 3.29Å; F319-Y321 PolarHBondContact O-N 3.35Å; F319-A322 VanDerWaalsContact O-CB 3.32Å; F319-A322 WeakPolarHBondContact O-CB 3.47Å; F319-A322 PolarHBondContact O-N 3.07Å; F319-A322 VanDerWaalsContact O-N 3.14Å; F319-L339 HydrophobicContact CB-CD2 4.49Å; F319-L339 WeakPolarHBondContact O-CB 3.38Å; F319-L339 WeakPolarHBondContact O-CD2 3.41Å; F319-I352 HydrophobicContact CD1-CB 4.48Å; F319-I352 HydrophobicContact CD1-CG1 4.23Å; F319-I352 HydrophobicContact CD1-CG2 4.32Å; F319-I352 HydrophobicContact CE1-CB 4.37Å; F319-I352 HydrophobicContact CE1-CG2 3.89Å; F319-I352 WeakPolarHBondContact CE1-O 3.24Å; F319-T355 HydrophobicContact CD1-CG2 3.71Å; F319-T355 HydrophobicContact CD2-CG2 4.15Å; F319-T355 HydrophobicContact CE1-CG2 3.68Å; F319-T355 HydrophobicContact CE2-CG2 4.11Å; F319-T355 HydrophobicContact CG-CG2 3.95Å; F319-T355 HydrophobicContact CZ-CG2 3.88Å; F319-F356 AromaticContact CE1-CD2 3.74Å; F319-F356 HydrophobicContact CE1-CD2 3.74Å; F319-F356 AromaticContact CE1-CE2 3.92Å; F319-F356 HydrophobicContact CE1-CE2 3.92Å; F319-F356 HydrophobicContact CE1-CG 4.33Å; F319-F356 HydrophobicContact CZ-CD1 4.21Å; F319-F356 AromaticContact CZ-CD2 3.65Å; F319-F356 HydrophobicContact CZ-CD2 3.65Å; F319-F356 HydrophobicContact CZ-CE1 4.35Å; F319-F356 AromaticContact CZ-CE2 3.77Å; F319-F356 HydrophobicContact CZ-CE2 3.77Å; F319-F356 AromaticContact CZ-CG 3.87Å; F319-F356 HydrophobicContact CZ-CG 3.87Å; F319-F356 HydrophobicContact CZ-CZ 4.13Å; F319-I359 HydrophobicContact CD2-CD1 4.14Å; F319-I359 HydrophobicContact CE2-CD1 3.26Å; F319-I359 HydrophobicContact CZ-CD1 3.69Å
320	Y	95.1	Very high	80.9	Confident	49 Å²	49	74.3 Å²	74.3	19%	0.192	39%	0.39	C	S	.	.	H	α-helix	trans	-58.9	-40	-177.6	-172.7	-97.9	0	0	0	112.9	S316 L317 N340 L594 I599	S316-Y320 WeakPolarHBondContact O-CB 3.21Å; S316-Y320 PolarHBondContact O-N 3.3Å; L317-Y320 PolarHBondContact O-N 3.19Å; Y320-N340 HydrophobicContact CD1-CB 4.06Å; Y320-N340 WeakPolarHBondContact CD1-ND2 3.39Å; Y320-N340 HydrophobicContact CD2-CB 4.03Å; Y320-N340 HydrophobicContact CE1-CB 3.82Å; Y320-N340 WeakPolarHBondContact CE1-ND2 3.4Å; Y320-N340 HydrophobicContact CE2-CB 3.78Å; Y320-N340 HydrophobicContact CG-CB 4.16Å; Y320-N340 VanDerWaalsContact O-CB 3.31Å; Y320-N340 WeakPolarHBondContact O-CB 3.29Å; Y320-N340 PolarHBondContact O-N 3.01Å; Y320-L594 WeakPolarHBondContact CE2-O 3.41Å; Y320-I599 HydrophobicContact CD2-CD1 4.2Å; Y320-I599 HydrophobicContact CE2-CD1 4.02Å
321	Y	95	Very high	78.8	Confident	131 Å²	131	78 Å²	78	51%	0.514	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7	177.9	-62.3	-64.6	0	0	0	113.8	L317 F319 S323 M338	L317-Y321 HydrophobicContact CD2-CE2 4.2Å; L317-Y321 WeakPolarHBondContact O-CD2 3.21Å; L317-Y321 PolarHBondContact O-N 3.06Å; F319-Y321 VanDerWaalsContact C-N 3.29Å; F319-Y321 PolarHBondContact O-N 3.35Å; Y321-S323 PolarHBondContact O-N 3.33Å; Y321-M338 HydrophobicContact CD1-SD 3.76Å; Y321-M338 HydrophobicContact CG-SD 4.46Å; Y321-M338 WeakPolarHBondContact O-CG 3.25Å
322	A	92.2	Very high	76.8	Confident	10 Å²	10	76.1 Å²	76.1	8%	0.083	41%	0.407	C	S	.	.			trans	-63.6	136.1	179.3	0	0	0	0	0	111.1	E318 F319 M338 L339 I351 T355	E318-A322 WeakPolarHBondContact O-CA 3.26Å; E318-A322 VanDerWaalsContact O-CB 3.26Å; E318-A322 WeakPolarHBondContact O-CB 3.14Å; E318-A322 PolarHBondContact O-N 2.93Å; F319-A322 VanDerWaalsContact O-CB 3.32Å; F319-A322 WeakPolarHBondContact O-CB 3.47Å; F319-A322 PolarHBondContact O-N 3.07Å; F319-A322 VanDerWaalsContact O-N 3.14Å; A322-M338 CarbonylContact O-C 3.6Å; A322-M338 WeakPolarHBondContact O-CA 3.3Å; A322-L339 PolarHBondContact O-N 2.87Å; A322-I351 HydrophobicContact CB-CG2 3.52Å; A322-I351 WeakPolarHBondContact O-CG2 3.05Å; A322-T355 HydrophobicContact CB-CG2 4.21Å; A322-T355 WeakPolarHBondContact CB-OG1 3.47Å
323	S	87.3	Confident	74.6	Confident	52 Å²	52	80.4 Å²	80.4	36%	0.364	43%	0.433	S	S	.	.			trans	-115.2	153.6	172.8	-58.5	0	0	0	0	109.5	Y321 K325 M338	Y321-S323 PolarHBondContact O-N 3.33Å; S323-K325 PolarHBondContact O-N 3.07Å; S323-M338 VanDerWaalsContact OG-CG 3.31Å; S323-M338 WeakPolarHBondContact OG-CG 3.38Å
324	P	75.8	Confident	72.5	Confident	13 Å²	13	84.5 Å²	84.5	8%	0.084	46%	0.459	C	S	.	.			trans	-64.1	138.9	179.8	21.2	-25.1	0	0	0	110.2	C326 E335 L337 I351	P324-C326 PolarHBondContact O-N 3.42Å; P324-E335 WeakPolarHBondContact CG-O 3.21Å; P324-L337 WeakPolarHBondContact CD-O 3.49Å; P324-I351 HydrophobicContact CB-CG1 3.83Å; P324-I351 HydrophobicContact CG-CD1 4.26Å; P324-I351 HydrophobicContact CG-CG1 4.08Å
325	K	69.4	Low	70.6	Confident	140 Å²	140	79.2 Å²	79.2	61%	0.609	44%	0.441	S	S	*	.			trans	-87.4	94.3	173.4	-69.1	-166.5	178.8	-177.6	0	108.3	S323 A327 M358	S323-K325 PolarHBondContact O-N 3.07Å; K325-A327 PolarHBondContact O-N 3.33Å; K325-M358 PolarHBondContact NZ-SD 3.49Å
326	C	51.8	Low	69.2	Low	59 Å²	59	82.2 Å²	82.2	40%	0.399	46%	0.458	S	S	.	.			trans	-66.2	114.3	175.6	-136.4	0	0	0	0	109.9	P324 D328	P324-C326 PolarHBondContact O-N 3.42Å; C326-D328 PolarHBondContact SG-O 2.9Å
327	A	50.7	Low	68.6	Low	108 Å²	108	83.6 Å²	83.6	89%	0.893	46%	0.461	S	S	*	.	S	Bend	trans	-84	-28.9	158.7	0	0	0	0	0	110.7	K325	K325-A327 PolarHBondContact O-N 3.33Å
328	D	45.9	Very low	68.5	Low	112 Å²	112	81.9 Å²	81.9	60%	0.599	45%	0.451	S	S	*	.			trans	-97	99.6	-173.6	-125.2	-26.7	0	0	0	110.9	C326 S330 M331	C326-D328 PolarHBondContact SG-O 2.9Å; D328-S330 PolarHBondContact O-N 3.34Å; D328-M331 PolarHBondContact O-N 2.99Å
329	K	47.2	Very low	68.5	Low	197 Å²	197	78.3 Å²	78.3	86%	0.857	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-57.9	-13	179.2	-69.9	-176.3	177.9	-179.4	0	113.6	M331	K329-M331 VanDerWaalsContact C-N 3.26Å; K329-M331 PolarHBondContact O-N 2.92Å
330	S	49.7	Very low	68.5	Low	96 Å²	96	78.8 Å²	78.8	67%	0.671	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-67.9	-18.8	179.5	59.2	0	0	0	0	114.2	D328	D328-S330 PolarHBondContact O-N 3.34Å
331	M	47	Very low	68.5	Low	87 Å²	87	82.4 Å²	82.4	43%	0.429	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-110.9	12.2	-176.5	-57.3	-166.6	77.9	0	0	114.5	D328 K329 V333 E335	D328-M331 PolarHBondContact O-N 2.99Å; K329-M331 VanDerWaalsContact C-N 3.26Å; K329-M331 PolarHBondContact O-N 2.92Å; M331-V333 VanDerWaalsContact C-N 3.29Å; M331-V333 PolarHBondContact O-N 3.04Å; M331-E335 HydrophobicContact CE-CG 4.48Å; M331-E335 WeakPolarHBondContact CE-OE1 3.35Å; M331-E335 WeakPolarHBondContact CE-OE2 3.49Å
332	A	48.7	Very low	68.4	Low	47 Å²	47	76.3 Å²	76.3	39%	0.388	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.3	-161.8	0	0	0	0	0	117.4	N336	A332-N336 PolarHBondContact O-ND2 2.89Å
333	V	49.2	Very low	68.4	Low	140 Å²	140	78.4 Å²	78.4	85%	0.848	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-33	-167.2	-172.1	0	0	0	0	113.8	M331	M331-V333 VanDerWaalsContact C-N 3.29Å; M331-V333 PolarHBondContact O-N 3.04Å
334	V	49.1	Very low	68.5	Low	124 Å²	124	79.2 Å²	79.2	75%	0.752	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-15.9	-174.3	-174.6	0	0	0	0	112.7
335	E	55.3	Low	69.1	Low	36 Å²	36	79.4 Å²	79.4	17%	0.168	44%	0.44	C	S	.	.	S	Bend	trans	-106.9	-9.7	-164.5	-63.1	-163.8	154.9	0	0	116.2	P324 M331 L337 M347 R350	P324-E335 WeakPolarHBondContact CG-O 3.21Å; M331-E335 HydrophobicContact CE-CG 4.48Å; M331-E335 WeakPolarHBondContact CE-OE1 3.35Å; M331-E335 WeakPolarHBondContact CE-OE2 3.49Å; E335-L337 PolarHBondContact O-N 3.36Å; E335-M347 HydrophobicContact CB-CE 3.73Å; E335-M347 HydrophobicContact CB-SD 3.88Å; E335-M347 HydrophobicContact CG-CE 3.46Å; E335-M347 VanDerWaalsContact CG-CE 3.46Å; E335-M347 HydrophobicContact CG-SD 4.05Å; E335-M347 WeakPolarHBondContact OE1-CE 3.18Å; E335-M347 WeakPolarHBondContact OE2-CE 3.34Å; E335-R350 IonicContact OE2-NH1 2.91Å
336	N	64.9	Low	69.9	Low	86 Å²	86	75.7 Å²	75.7	46%	0.46	42%	0.424	S	S	.	.			trans	-80.5	37.6	-177.3	-73.5	-28.3	0	0	0	114.1	A332	A332-N336 PolarHBondContact O-ND2 2.89Å
337	L	82.4	Confident	71.6	Confident	84 Å²	84	73.7 Å²	73.7	44%	0.44	41%	0.409	S	S	.	.			trans	-80	140	173.4	-66.5	177.3	0	0	0	110.6	P324 E335 R341 T342	P324-L337 WeakPolarHBondContact CD-O 3.49Å; E335-L337 PolarHBondContact O-N 3.36Å; L337-R341 HydrophobicContact CB-CB 4.35Å; L337-R341 HydrophobicContact CD2-CB 4.44Å; L337-T342 PolarHBondContact O-OG1 3.2Å
338	M	93.1	Very high	73.5	Confident	73 Å²	73	68.7 Å²	68.7	36%	0.36	37%	0.367	S	S	.	.			trans	-61.6	150.4	167.4	-68.2	179.6	-69.1	0	0	110.2	Y321 A322 S323 N340 R341 T342	Y321-M338 HydrophobicContact CD1-SD 3.76Å; Y321-M338 HydrophobicContact CG-SD 4.46Å; Y321-M338 WeakPolarHBondContact O-CG 3.25Å; A322-M338 CarbonylContact O-C 3.6Å; A322-M338 WeakPolarHBondContact O-CA 3.3Å; S323-M338 VanDerWaalsContact OG-CG 3.31Å; S323-M338 WeakPolarHBondContact OG-CG 3.38Å; M338-N340 VanDerWaalsContact CB-OD1 3.26Å; M338-N340 WeakPolarHBondContact CB-OD1 3.34Å; M338-N340 PolarHBondContact O-N 3.44Å; M338-N340 VanDerWaalsContact O-N 3.1Å; M338-R341 CarbonylContact O-C 3.47Å; M338-R341 WeakPolarHBondContact O-CA 3.27Å; M338-R341 PolarHBondContact O-N 3.35Å; M338-T342 PolarHBondContact O-N 3Å; M338-T342 PolarHBondContact O-OG1 3.49Å
339	L	94.2	Very high	75.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-51.5	-41.2	-177.9	-177.5	62	0	0	0	111.8	F290 F319 A322 R341 T342 K348 I351 I352 L594	F290-L339 HydrophobicContact CD2-CD2 4.43Å; F290-L339 HydrophobicContact CE2-CD2 3.52Å; F290-L339 HydrophobicContact CZ-CD2 3.76Å; F290-L339 HydrophobicContact CZ-CG 4.38Å; F319-L339 HydrophobicContact CB-CD2 4.49Å; F319-L339 WeakPolarHBondContact O-CB 3.38Å; F319-L339 WeakPolarHBondContact O-CD2 3.41Å; A322-L339 PolarHBondContact O-N 2.87Å; L339-R341 PolarHBondContact O-N 3.35Å; L339-T342 PolarHBondContact O-N 3.25Å; L339-K348 HydrophobicContact CD1-CB 3.98Å; L339-K348 HydrophobicContact CD1-CG 3.94Å; L339-I351 HydrophobicContact CB-CG2 3.98Å; L339-I351 HydrophobicContact CD1-CB 4.29Å; L339-I351 HydrophobicContact CD1-CD1 4.44Å; L339-I351 HydrophobicContact CD1-CG2 4.29Å; L339-I352 HydrophobicContact CD1-CD1 4.17Å; L339-I352 HydrophobicContact CD1-CG1 4.09Å; L339-I352 HydrophobicContact CD2-CD1 4.01Å; L339-I352 HydrophobicContact CD2-CG1 3.66Å; L339-L594 HydrophobicContact CD1-CD1 4.31Å; L339-L594 HydrophobicContact CG-CD1 4.14Å
340	N	94.6	Very high	77.3	Confident	11 Å²	11	61.5 Å²	61.5	6%	0.059	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-60.6	-23.3	177.3	64.6	7.5	0	0	0	114.3	Y320 M338 F593 L594	Y320-N340 HydrophobicContact CD1-CB 4.06Å; Y320-N340 WeakPolarHBondContact CD1-ND2 3.39Å; Y320-N340 HydrophobicContact CD2-CB 4.03Å; Y320-N340 HydrophobicContact CE1-CB 3.82Å; Y320-N340 WeakPolarHBondContact CE1-ND2 3.4Å; Y320-N340 HydrophobicContact CE2-CB 3.78Å; Y320-N340 HydrophobicContact CG-CB 4.16Å; Y320-N340 VanDerWaalsContact O-CB 3.31Å; Y320-N340 WeakPolarHBondContact O-CB 3.29Å; Y320-N340 PolarHBondContact O-N 3.01Å; M338-N340 VanDerWaalsContact CB-OD1 3.26Å; M338-N340 WeakPolarHBondContact CB-OD1 3.34Å; M338-N340 PolarHBondContact O-N 3.44Å; M338-N340 VanDerWaalsContact O-N 3.1Å; N340-F593 WeakPolarHBondContact O-CB 3.42Å; N340-L594 PolarHBondContact O-N 3.46Å
341	R	94	Very high	79.2	Confident	124 Å²	124	57 Å²	57	47%	0.468	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-105.3	-9.1	176.9	-64.4	-57.2	-176.5	171.6	0.3	113.7	L337 M338 L339 V343 F593	L337-R341 HydrophobicContact CB-CB 4.35Å; L337-R341 HydrophobicContact CD2-CB 4.44Å; M338-R341 CarbonylContact O-C 3.47Å; M338-R341 WeakPolarHBondContact O-CA 3.27Å; M338-R341 PolarHBondContact O-N 3.35Å; L339-R341 PolarHBondContact O-N 3.35Å; R341-V343 PolarHBondContact O-N 3.35Å; R341-F593 HydrophobicContact CB-CE1 4.42Å; R341-F593 VanDerWaalsContact O-CE1 3.24Å; R341-F593 WeakPolarHBondContact O-CE1 3.17Å
342	T	93.3	Very high	81.2	Confident	3 Å²	3	53 Å²	53	2%	0.018	28%	0.275	C	S	.	.			trans	-74.8	125.7	-179.4	-59.3	0	0	0	0	111.3	L337 M338 L339 M347 K348 I351	L337-T342 PolarHBondContact O-OG1 3.2Å; M338-T342 PolarHBondContact O-N 3Å; M338-T342 PolarHBondContact O-OG1 3.49Å; L339-T342 PolarHBondContact O-N 3.25Å; T342-M347 HydrophobicContact CG2-CB 3.66Å; T342-M347 HydrophobicContact CG2-CG 3.67Å; T342-M347 HydrophobicContact CG2-SD 4.38Å; T342-K348 HydrophobicContact CG2-CG 3.86Å; T342-K348 WeakPolarHBondContact O-CE 3.4Å; T342-I351 HydrophobicContact CG2-CD1 4.04Å; T342-I351 WeakPolarHBondContact OG1-CD1 3.44Å
343	V	92.5	Very high	82.9	Confident	55 Å²	55	51 Å²	51	33%	0.333	26%	0.259	S	S	.	.			trans	-96.1	-34.8	177.8	-62.7	0	0	0	0	112.8	R341 C461 I463 F593	R341-V343 PolarHBondContact O-N 3.35Å; V343-C461 HydrophobicContact CB-CB 4.27Å; V343-C461 HydrophobicContact CG1-CB 4.1Å; V343-I463 HydrophobicContact CG1-CG2 4.46Å; V343-F593 HydrophobicContact CG1-CD1 4.3Å; V343-F593 HydrophobicContact CG1-CE1 4.02Å
344	D	90.2	Very high	84.6	Confident	68 Å²	68	46.5 Å²	46.5	36%	0.364	23%	0.23	S	C	.	.			trans	-67.4	126.2	-176.3	179.7	-90.3	0	0	0	111.8	E346 M347 K348	D344-E346 PolarHBondContact O-N 2.87Å; D344-E346 WeakPolarHBondContact OD1-CA 3.5Å; D344-E346 PolarHBondContact OD1-N 3.5Å; D344-M347 HydrophobicContact CB-CB 3.89Å; D344-M347 PolarHBondContact O-N 2.97Å; D344-M347 PolarHBondContact OD1-N 3.43Å; D344-K348 WeakPolarHBondContact O-CG 3.1Å; D344-K348 PolarHBondContact O-N 3.21Å
345	P	88.7	Confident	86.5	Confident	18 Å²	18	40.9 Å²	40.9	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-34.6	-175.2	25.9	-34.6	0	0	0	113.5	R349 V530 Y539	P345-R349 WeakPolarHBondContact O-CG 3.28Å; P345-R349 PolarHBondContact O-N 2.93Å; P345-V530 HydrophobicContact CB-CG2 4.04Å; P345-V530 HydrophobicContact CG-CG2 3.82Å; P345-Y539 HydrophobicContact CG-CD2 4.41Å; P345-Y539 HydrophobicContact CG-CE2 4.01Å
346	E	85.9	Confident	87.9	Confident	61 Å²	61	41.1 Å²	41.1	29%	0.285	20%	0.197	S	C	.	.	H	α-helix	trans	-73.8	-37.4	178.6	-62.3	-54.5	151.6	0	0	111.3	D344 R349 R350 R537	D344-E346 PolarHBondContact O-N 2.87Å; D344-E346 WeakPolarHBondContact OD1-CA 3.5Å; D344-E346 PolarHBondContact OD1-N 3.5Å; E346-R349 WeakPolarHBondContact O-CB 3.49Å; E346-R349 PolarHBondContact O-N 3.36Å; E346-R349 IonicContact OE1-CZ 2.71Å; E346-R349 IonicContact OE1-NH1 3.14Å; E346-R349 PolarHBondContact OE1-NH1 2.87Å; E346-R349 IonicContact OE2-NH1 3.58Å; E346-R349 PolarHBondContact OE2-NH1 2.83Å; E346-R349 VanDerWaalsContact OE2-NH1 3.14Å; E346-R350 PolarHBondContact O-N 3.19Å; E346-R537 WeakPolarHBondContact OE1-CD 3.31Å; E346-R537 IonicContact OE1-CZ 2.69Å; E346-R537 IonicContact OE1-NE 3.63Å; E346-R537 IonicContact OE1-NH1 3.92Å; E346-R537 PolarHBondContact OE1-NH1 3.08Å; E346-R537 IonicContact OE2-NH1 3.56Å; E346-R537 PolarHBondContact OE2-NH1 3.22Å
347	M	87.6	Confident	88.6	Confident	18 Å²	18	37.5 Å²	37.5	9%	0.089	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-42.9	173.5	-166.5	149.3	-70.6	0	0	111.8	E335 T342 D344 R349 R350 I351	E335-M347 HydrophobicContact CB-CE 3.73Å; E335-M347 HydrophobicContact CB-SD 3.88Å; E335-M347 HydrophobicContact CG-CE 3.46Å; E335-M347 VanDerWaalsContact CG-CE 3.46Å; E335-M347 HydrophobicContact CG-SD 4.05Å; E335-M347 WeakPolarHBondContact OE1-CE 3.18Å; E335-M347 WeakPolarHBondContact OE2-CE 3.34Å; T342-M347 HydrophobicContact CG2-CB 3.66Å; T342-M347 HydrophobicContact CG2-CG 3.67Å; T342-M347 HydrophobicContact CG2-SD 4.38Å; D344-M347 HydrophobicContact CB-CB 3.89Å; D344-M347 PolarHBondContact O-N 2.97Å; D344-M347 PolarHBondContact OD1-N 3.43Å; M347-R349 VanDerWaalsContact C-N 3.3Å; M347-R349 PolarHBondContact O-N 3.14Å; M347-R350 WeakPolarHBondContact O-CB 3.41Å; M347-R350 PolarHBondContact O-N 3.38Å; M347-R350 VanDerWaalsContact O-N 3.17Å; M347-I351 HydrophobicContact CG-CD1 4Å; M347-I351 HydrophobicContact CG-CG1 4.39Å; M347-I351 VanDerWaalsContact O-CG1 3.28Å; M347-I351 WeakPolarHBondContact O-CG1 3.02Å; M347-I351 PolarHBondContact O-N 2.93Å
348	K	90.8	Very high	88.8	Confident	3 Å²	3	36.9 Å²	36.9	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-55.6	-45.6	171.9	-72.1	176.3	177.8	-173.4	0	111.4	L339 T342 D344 R350 I352 A456 I459 C461 L594	L339-K348 HydrophobicContact CD1-CB 3.98Å; L339-K348 HydrophobicContact CD1-CG 3.94Å; T342-K348 HydrophobicContact CG2-CG 3.86Å; T342-K348 WeakPolarHBondContact O-CE 3.4Å; D344-K348 WeakPolarHBondContact O-CG 3.1Å; D344-K348 PolarHBondContact O-N 3.21Å; K348-R350 VanDerWaalsContact C-N 3.34Å; K348-R350 PolarHBondContact O-N 3.44Å; K348-I352 WeakPolarHBondContact O-CB 3.09Å; K348-I352 WeakPolarHBondContact O-CD1 3.44Å; K348-I352 VanDerWaalsContact O-CG1 3.28Å; K348-I352 WeakPolarHBondContact O-CG1 3.35Å; K348-I352 PolarHBondContact O-N 3.36Å; K348-A456 WeakPolarHBondContact CD-O 3.33Å; K348-A456 PolarHBondContact NZ-O 3.2Å; K348-I459 PolarHBondContact NZ-O 3.07Å; K348-C461 PolarHBondContact NZ-SG 2.9Å; K348-L594 HydrophobicContact CD-CD1 4.29Å
349	R	87.1	Confident	88.4	Confident	30 Å²	30	33.5 Å²	33.5	11%	0.113	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-42.4	177.4	-67.5	-176.9	179.5	100.3	4.8	111.8	P345 E346 M347 G353 P453 V457	P345-R349 WeakPolarHBondContact O-CG 3.28Å; P345-R349 PolarHBondContact O-N 2.93Å; E346-R349 WeakPolarHBondContact O-CB 3.49Å; E346-R349 PolarHBondContact O-N 3.36Å; E346-R349 IonicContact OE1-CZ 2.71Å; E346-R349 IonicContact OE1-NH1 3.14Å; E346-R349 PolarHBondContact OE1-NH1 2.87Å; E346-R349 IonicContact OE2-NH1 3.58Å; E346-R349 PolarHBondContact OE2-NH1 2.83Å; E346-R349 VanDerWaalsContact OE2-NH1 3.14Å; M347-R349 VanDerWaalsContact C-N 3.3Å; M347-R349 PolarHBondContact O-N 3.14Å; R349-G353 PolarHBondContact O-N 2.8Å; R349-P453 HydrophobicContact CG-CG 4.02Å; R349-V457 HydrophobicContact CG-CG1 3.9Å
350	R	84.5	Confident	87.7	Confident	128 Å²	128	33.7 Å²	33.7	48%	0.483	16%	0.158	S	C	.	.	H	α-helix	trans	-62.5	-53.2	178	-173.1	-174.5	-64.7	169.1	-0.6	111.4	E335 E346 M347 K348 I352 G353 D354	E335-R350 IonicContact OE2-NH1 2.91Å; E346-R350 PolarHBondContact O-N 3.19Å; M347-R350 WeakPolarHBondContact O-CB 3.41Å; M347-R350 PolarHBondContact O-N 3.38Å; M347-R350 VanDerWaalsContact O-N 3.17Å; K348-R350 VanDerWaalsContact C-N 3.34Å; K348-R350 PolarHBondContact O-N 3.44Å; R350-I352 VanDerWaalsContact C-N 3.29Å; R350-I352 PolarHBondContact O-N 3.27Å; R350-G353 PolarHBondContact O-N 2.84Å; R350-G353 VanDerWaalsContact O-N 3.13Å; R350-D354 PolarHBondContact O-N 2.84Å
351	I	89.2	Confident	87.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-46.3	179.4	-64.7	166.2	0	0	0	110.7	A322 P324 L339 T342 M347 D354 T355	A322-I351 HydrophobicContact CB-CG2 3.52Å; A322-I351 WeakPolarHBondContact O-CG2 3.05Å; P324-I351 HydrophobicContact CB-CG1 3.83Å; P324-I351 HydrophobicContact CG-CD1 4.26Å; P324-I351 HydrophobicContact CG-CG1 4.08Å; L339-I351 HydrophobicContact CB-CG2 3.98Å; L339-I351 HydrophobicContact CD1-CB 4.29Å; L339-I351 HydrophobicContact CD1-CD1 4.44Å; L339-I351 HydrophobicContact CD1-CG2 4.29Å; T342-I351 HydrophobicContact CG2-CD1 4.04Å; T342-I351 WeakPolarHBondContact OG1-CD1 3.44Å; M347-I351 HydrophobicContact CG-CD1 4Å; M347-I351 HydrophobicContact CG-CG1 4.39Å; M347-I351 VanDerWaalsContact O-CG1 3.28Å; M347-I351 WeakPolarHBondContact O-CG1 3.02Å; M347-I351 PolarHBondContact O-N 2.93Å; I351-D354 PolarHBondContact O-N 2.87Å; I351-T355 WeakPolarHBondContact O-CB 3.17Å; I351-T355 PolarHBondContact O-N 3.46Å; I351-T355 PolarHBondContact O-OG1 2.89Å
352	I	89	Confident	86.8	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-47.9	178.1	-71.1	167.6	0	0	0	110.7	F319 L339 K348 R350 D354 T355 F356 P453 A456	F319-I352 HydrophobicContact CD1-CB 4.48Å; F319-I352 HydrophobicContact CD1-CG1 4.23Å; F319-I352 HydrophobicContact CD1-CG2 4.32Å; F319-I352 HydrophobicContact CE1-CB 4.37Å; F319-I352 HydrophobicContact CE1-CG2 3.89Å; F319-I352 WeakPolarHBondContact CE1-O 3.24Å; L339-I352 HydrophobicContact CD1-CD1 4.17Å; L339-I352 HydrophobicContact CD1-CG1 4.09Å; L339-I352 HydrophobicContact CD2-CD1 4.01Å; L339-I352 HydrophobicContact CD2-CG1 3.66Å; K348-I352 WeakPolarHBondContact O-CB 3.09Å; K348-I352 WeakPolarHBondContact O-CD1 3.44Å; K348-I352 VanDerWaalsContact O-CG1 3.28Å; K348-I352 WeakPolarHBondContact O-CG1 3.35Å; K348-I352 PolarHBondContact O-N 3.36Å; R350-I352 VanDerWaalsContact C-N 3.29Å; R350-I352 PolarHBondContact O-N 3.27Å; I352-D354 PolarHBondContact O-N 3.36Å; I352-T355 PolarHBondContact O-N 2.81Å; I352-F356 HydrophobicContact CG2-CD2 3.78Å; I352-F356 HydrophobicContact CG2-CE2 3.73Å; I352-F356 WeakPolarHBondContact O-CD2 3.46Å; I352-F356 PolarHBondContact O-N 3.24Å; I352-P453 HydrophobicContact CD1-CB 3.7Å; I352-A456 HydrophobicContact CD1-CB 3.63Å
353	G	84.8	Confident	86.2	Confident	6 Å²	6	37.1 Å²	37.1	6%	0.062	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-45.1	178.1	0	0	0	0	0	113.1	R349 R350 T355 F356 M357	R349-G353 PolarHBondContact O-N 2.8Å; R350-G353 PolarHBondContact O-N 2.84Å; R350-G353 VanDerWaalsContact O-N 3.13Å; G353-T355 VanDerWaalsContact C-N 3.33Å; G353-T355 PolarHBondContact O-N 3.48Å; G353-F356 WeakPolarHBondContact O-CB 3.34Å; G353-F356 PolarHBondContact O-N 2.9Å; G353-M357 WeakPolarHBondContact O-CG 3.45Å; G353-M357 PolarHBondContact O-N 2.64Å
354	D	84.3	Confident	85.7	Confident	45 Å²	45	34.8 Å²	34.8	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-38.6	178.1	-69.3	-19.1	0	0	0	112	R350 I351 I352 M357 M358	R350-D354 PolarHBondContact O-N 2.84Å; I351-D354 PolarHBondContact O-N 2.87Å; I352-D354 PolarHBondContact O-N 3.36Å; D354-M357 PolarHBondContact O-N 3.36Å; D354-M358 PolarHBondContact O-N 2.95Å
355	T	89.1	Confident	85.4	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-41.7	178.1	-55.2	0	0	0	0	111.3	F319 A322 I351 I352 G353 M357 M358 I359	F319-T355 HydrophobicContact CD1-CG2 3.71Å; F319-T355 HydrophobicContact CD2-CG2 4.15Å; F319-T355 HydrophobicContact CE1-CG2 3.68Å; F319-T355 HydrophobicContact CE2-CG2 4.11Å; F319-T355 HydrophobicContact CG-CG2 3.95Å; F319-T355 HydrophobicContact CZ-CG2 3.88Å; A322-T355 HydrophobicContact CB-CG2 4.21Å; A322-T355 WeakPolarHBondContact CB-OG1 3.47Å; I351-T355 WeakPolarHBondContact O-CB 3.17Å; I351-T355 PolarHBondContact O-N 3.46Å; I351-T355 PolarHBondContact O-OG1 2.89Å; I352-T355 PolarHBondContact O-N 2.81Å; G353-T355 VanDerWaalsContact C-N 3.33Å; G353-T355 PolarHBondContact O-N 3.48Å; T355-M357 VanDerWaalsContact C-N 3.29Å; T355-M357 PolarHBondContact O-N 2.85Å; T355-M358 HydrophobicContact CG2-CE 4.38Å; T355-M358 WeakPolarHBondContact O-CB 3.46Å; T355-M358 PolarHBondContact O-N 2.73Å; T355-I359 HydrophobicContact CG2-CD1 4.09Å; T355-I359 WeakPolarHBondContact O-CG1 3.42Å; T355-I359 PolarHBondContact O-N 2.77Å
356	F	85.7	Confident	85	Confident	42 Å²	42	39.1 Å²	39.1	18%	0.184	20%	0.201	C	C	.	.	H	α-helix	trans	-54.3	-46.1	171.9	-95.6	-74.7	0	0	0	111.8	L258 V286 T288 F319 I352 G353 M358 I359 V360	L258-F356 HydrophobicContact CD1-CD1 4.5Å; V286-F356 HydrophobicContact CB-CD1 4.35Å; V286-F356 HydrophobicContact CB-CE1 3.69Å; V286-F356 HydrophobicContact CB-CZ 4.45Å; V286-F356 HydrophobicContact CG1-CE1 4.08Å; V286-F356 HydrophobicContact CG2-CD1 4.29Å; V286-F356 HydrophobicContact CG2-CE1 4.03Å; T288-F356 HydrophobicContact CG2-CE1 4.33Å; T288-F356 HydrophobicContact CG2-CE2 3.7Å; T288-F356 HydrophobicContact CG2-CZ 3.42Å; T288-F356 VanDerWaalsContact CG2-CZ 3.42Å; F319-F356 AromaticContact CE1-CD2 3.74Å; F319-F356 HydrophobicContact CE1-CD2 3.74Å; F319-F356 AromaticContact CE1-CE2 3.92Å; F319-F356 HydrophobicContact CE1-CE2 3.92Å; F319-F356 HydrophobicContact CE1-CG 4.33Å; F319-F356 HydrophobicContact CZ-CD1 4.21Å; F319-F356 AromaticContact CZ-CD2 3.65Å; F319-F356 HydrophobicContact CZ-CD2 3.65Å; F319-F356 HydrophobicContact CZ-CE1 4.35Å; F319-F356 AromaticContact CZ-CE2 3.77Å; F319-F356 HydrophobicContact CZ-CE2 3.77Å; F319-F356 AromaticContact CZ-CG 3.87Å; F319-F356 HydrophobicContact CZ-CG 3.87Å; F319-F356 HydrophobicContact CZ-CZ 4.13Å; I352-F356 HydrophobicContact CG2-CD2 3.78Å; I352-F356 HydrophobicContact CG2-CE2 3.73Å; I352-F356 WeakPolarHBondContact O-CD2 3.46Å; I352-F356 PolarHBondContact O-N 3.24Å; G353-F356 WeakPolarHBondContact O-CB 3.34Å; G353-F356 PolarHBondContact O-N 2.9Å; F356-M358 VanDerWaalsContact C-N 3.33Å; F356-M358 PolarHBondContact O-N 3.34Å; F356-I359 PolarHBondContact O-N 2.65Å; F356-V360 VanDerWaalsContact O-CG2 3.22Å; F356-V360 WeakPolarHBondContact O-CG2 3.16Å; F356-V360 PolarHBondContact O-N 2.95Å
357	M	80.2	Confident	84.5	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-33.4	-179.2	-63.9	-61.5	145.5	0	0	112.8	G353 D354 T355 V360 K361 T407 M409 V410	G353-M357 WeakPolarHBondContact O-CG 3.45Å; G353-M357 PolarHBondContact O-N 2.64Å; D354-M357 PolarHBondContact O-N 3.36Å; T355-M357 VanDerWaalsContact C-N 3.29Å; T355-M357 PolarHBondContact O-N 2.85Å; M357-V360 PolarHBondContact O-N 3.29Å; M357-K361 WeakPolarHBondContact O-CG 3.46Å; M357-K361 PolarHBondContact O-N 2.6Å; M357-T407 HydrophobicContact CE-CG2 4.13Å; M357-T407 HydrophobicContact CG-CG2 3.65Å; M357-T407 VanDerWaalsContact CG-OG1 3.3Å; M357-T407 WeakPolarHBondContact CG-OG1 3.48Å; M357-M409 HydrophobicContact CB-CE 3.99Å; M357-M409 HydrophobicContact CB-SD 4.33Å; M357-M409 HydrophobicContact CG-CE 4.16Å; M357-M409 HydrophobicContact SD-CE 3.41Å; M357-M409 WeakPolarHBondContact SD-CE 3.39Å; M357-V410 HydrophobicContact CE-CG2 3.8Å; M357-V410 HydrophobicContact SD-CG2 3.8Å
358	M	85.1	Confident	83.9	Confident	71 Å²	71	44.9 Å²	44.9	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-43.6	172.5	-176.6	178.4	72.3	0	0	111.3	K325 D354 T355 F356 V360 K361 E362	K325-M358 PolarHBondContact NZ-SD 3.49Å; D354-M358 PolarHBondContact O-N 2.95Å; T355-M358 HydrophobicContact CG2-CE 4.38Å; T355-M358 WeakPolarHBondContact O-CB 3.46Å; T355-M358 PolarHBondContact O-N 2.73Å; F356-M358 VanDerWaalsContact C-N 3.33Å; F356-M358 PolarHBondContact O-N 3.34Å; M358-V360 VanDerWaalsContact C-N 3.34Å; M358-K361 WeakPolarHBondContact O-CB 3.33Å; M358-K361 PolarHBondContact O-N 2.82Å; M358-E362 PolarHBondContact O-N 3.23Å
359	I	85.4	Confident	82.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-41.2	176.2	-66.9	159.5	0	0	0	110.3	V286 L313 K315 F319 T355 F356 K361 E362 V363	V286-I359 HydrophobicContact CG1-CD1 4.04Å; V286-I359 HydrophobicContact CG2-CG2 4.21Å; L313-I359 HydrophobicContact CD1-CG2 3.7Å; K315-I359 HydrophobicContact CB-CD1 3.76Å; K315-I359 HydrophobicContact CD-CD1 4.44Å; K315-I359 HydrophobicContact CD-CG1 4.42Å; K315-I359 HydrophobicContact CG-CD1 3.76Å; K315-I359 HydrophobicContact CG-CG1 4.16Å; K315-I359 HydrophobicContact CG-CG2 4.38Å; F319-I359 HydrophobicContact CD2-CD1 4.14Å; F319-I359 HydrophobicContact CE2-CD1 3.26Å; F319-I359 HydrophobicContact CZ-CD1 3.69Å; T355-I359 HydrophobicContact CG2-CD1 4.09Å; T355-I359 WeakPolarHBondContact O-CG1 3.42Å; T355-I359 PolarHBondContact O-N 2.77Å; F356-I359 PolarHBondContact O-N 2.65Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 2.75Å; I359-E362 WeakPolarHBondContact O-CB 3.36Å; I359-E362 PolarHBondContact O-N 2.98Å; I359-V363 WeakPolarHBondContact O-CG2 2.93Å; I359-V363 PolarHBondContact O-N 2.73Å
360	V	80.4	Confident	82	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-44.5	173.7	177.4	0	0	0	0	111.1	L258 F356 M357 M358 E362 V363 M364 L376	L258-V360 HydrophobicContact CD1-CG2 3.79Å; L258-V360 HydrophobicContact CD2-CG2 3.81Å; L258-V360 HydrophobicContact CG-CG2 4.24Å; F356-V360 VanDerWaalsContact O-CG2 3.22Å; F356-V360 WeakPolarHBondContact O-CG2 3.16Å; F356-V360 PolarHBondContact O-N 2.95Å; M357-V360 PolarHBondContact O-N 3.29Å; M358-V360 VanDerWaalsContact C-N 3.34Å; V360-E362 PolarHBondContact O-N 2.93Å; V360-V363 PolarHBondContact O-N 3.2Å; V360-M364 HydrophobicContact CG1-CG 4.41Å; V360-M364 HydrophobicContact CG1-SD 4.15Å; V360-M364 VanDerWaalsContact O-CG 3.29Å; V360-M364 WeakPolarHBondContact O-CG 3.49Å; V360-M364 PolarHBondContact O-N 2.8Å; V360-L376 HydrophobicContact CG1-CD1 4.44Å
361	K	82.2	Confident	81.2	Confident	93 Å²	93	46 Å²	46	40%	0.404	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-42.3	175.8	-73.5	-179.1	-175	-172	0	112.5	M357 M358 I359 V363 M364 N365 F371 M409	M357-K361 WeakPolarHBondContact O-CG 3.46Å; M357-K361 PolarHBondContact O-N 2.6Å; M358-K361 WeakPolarHBondContact O-CB 3.33Å; M358-K361 PolarHBondContact O-N 2.82Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 2.75Å; K361-V363 VanDerWaalsContact C-N 3.32Å; K361-V363 PolarHBondContact O-N 3.17Å; K361-M364 PolarHBondContact O-N 3.07Å; K361-N365 WeakPolarHBondContact O-CB 3.23Å; K361-N365 VanDerWaalsContact O-CG 3.23Å; K361-N365 PolarHBondContact O-N 2.82Å; K361-F371 HydrophobicContact CG-CE2 4.37Å; K361-F371 HydrophobicContact CG-CZ 4Å; K361-M409 HydrophobicContact CD-SD 4.15Å; K361-M409 WeakPolarHBondContact CE-SD 3.43Å; K361-M409 HydrophobicContact CG-SD 3.98Å
362	E	85.9	Confident	80.2	Confident	100 Å²	100	46.8 Å²	46.8	47%	0.467	26%	0.259	S	S	.	.	H	α-helix	trans	-58.7	-45.5	176.7	-173.6	-173.1	154.8	0	0	110.7	K315 M358 I359 V360 N365 G366	K315-E362 IonicContact NZ-OE1 3.87Å; K315-E362 PolarHBondContact NZ-OE1 3.22Å; K315-E362 IonicContact NZ-OE2 3.77Å; K315-E362 PolarHBondContact NZ-OE2 3.22Å; K315-E362 VanDerWaalsContact NZ-OE2 3.16Å; M358-E362 PolarHBondContact O-N 3.23Å; I359-E362 WeakPolarHBondContact O-CB 3.36Å; I359-E362 PolarHBondContact O-N 2.98Å; V360-E362 PolarHBondContact O-N 2.93Å; E362-N365 PolarHBondContact O-N 2.87Å; E362-G366 PolarHBondContact O-N 2.89Å
363	V	82.5	Confident	79.5	Confident	16 Å²	16	51.6 Å²	51.6	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-43.5	177.3	178.6	0	0	0	0	111.7	I284 L313 I359 V360 K361 N365 G366 L367	I284-V363 HydrophobicContact CD1-CB 4Å; I284-V363 HydrophobicContact CD1-CG1 3.5Å; I284-V363 VanDerWaalsContact CD1-CG1 3.5Å; I284-V363 HydrophobicContact CD1-CG2 4.13Å; I284-V363 HydrophobicContact CG1-CG1 4.36Å; L313-V363 HydrophobicContact CD1-CG2 3.33Å; I359-V363 WeakPolarHBondContact O-CG2 2.93Å; I359-V363 PolarHBondContact O-N 2.73Å; V360-V363 PolarHBondContact O-N 3.2Å; K361-V363 VanDerWaalsContact C-N 3.32Å; K361-V363 PolarHBondContact O-N 3.17Å; V363-N365 VanDerWaalsContact C-N 3.33Å; V363-N365 PolarHBondContact O-N 2.83Å; V363-G366 PolarHBondContact O-N 2.97Å; V363-L367 HydrophobicContact CG1-CD1 3.8Å; V363-L367 HydrophobicContact CG1-CG 4.35Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.2Å; V363-L367 PolarHBondContact O-N 3.49Å
364	M	80.5	Confident	79.4	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.034	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-47	176.1	-74.1	-178.9	67.9	0	0	111.6	I256 V360 K361 L367 N368 L369 F371 V374	I256-M364 HydrophobicContact CD1-CG 3.38Å; I256-M364 HydrophobicContact CD1-SD 4.34Å; V360-M364 HydrophobicContact CG1-CG 4.41Å; V360-M364 HydrophobicContact CG1-SD 4.15Å; V360-M364 VanDerWaalsContact O-CG 3.29Å; V360-M364 WeakPolarHBondContact O-CG 3.49Å; V360-M364 PolarHBondContact O-N 2.8Å; K361-M364 PolarHBondContact O-N 3.07Å; M364-L367 PolarHBondContact O-N 2.86Å; M364-N368 PolarHBondContact O-N 3.16Å; M364-L369 PolarHBondContact O-N 3.49Å; M364-F371 HydrophobicContact CE-CD1 3.45Å; M364-F371 VanDerWaalsContact CE-CD1 3.45Å; M364-F371 HydrophobicContact CE-CD2 4.5Å; M364-F371 HydrophobicContact CE-CE1 3.45Å; M364-F371 VanDerWaalsContact CE-CE1 3.45Å; M364-F371 HydrophobicContact CE-CE2 4.49Å; M364-F371 HydrophobicContact CE-CG 4.02Å; M364-F371 HydrophobicContact CE-CZ 4.01Å; M364-F371 HydrophobicContact SD-CD1 4.12Å; M364-F371 HydrophobicContact SD-CE1 3.46Å; M364-F371 WeakPolarHBondContact SD-CE1 3.41Å; M364-F371 HydrophobicContact SD-CZ 3.79Å; M364-V374 HydrophobicContact CE-CB 4.31Å; M364-V374 HydrophobicContact CE-CG1 4.32Å
365	N	84.1	Confident	79.6	Confident	112 Å²	112	50.5 Å²	50.5	60%	0.599	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-44.3	177.3	-70.1	-12.7	0	0	0	111.5	K361 E362 V363 L367 N368	K361-N365 WeakPolarHBondContact O-CB 3.23Å; K361-N365 VanDerWaalsContact O-CG 3.23Å; K361-N365 PolarHBondContact O-N 2.82Å; E362-N365 PolarHBondContact O-N 2.87Å; V363-N365 VanDerWaalsContact C-N 3.33Å; V363-N365 PolarHBondContact O-N 2.83Å; N365-L367 PolarHBondContact O-N 2.86Å; N365-N368 PolarHBondContact O-N 2.83Å
366	G	81.2	Confident	79.6	Confident	64 Å²	64	50.7 Å²	50.7	66%	0.66	27%	0.274	S	S	*	.	H	α-helix	trans	-62.7	-25.9	177.5	0	0	0	0	0	113.8	E362 V363 N368	E362-G366 PolarHBondContact O-N 2.89Å; V363-G366 PolarHBondContact O-N 2.97Å; G366-N368 VanDerWaalsContact C-N 3.33Å
367	L	75.1	Confident	79.8	Confident	55 Å²	55	49 Å²	49	29%	0.288	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5.1	175.1	-64.5	172.3	0	0	0	113.4	V282 V363 M364 N365 L369	V282-L367 HydrophobicContact CG1-CD1 3.85Å; V282-L367 HydrophobicContact CG2-CD1 4.37Å; V363-L367 HydrophobicContact CG1-CD1 3.8Å; V363-L367 HydrophobicContact CG1-CG 4.35Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.2Å; V363-L367 PolarHBondContact O-N 3.49Å; M364-L367 PolarHBondContact O-N 2.86Å; N365-L367 PolarHBondContact O-N 2.86Å; L367-L369 HydrophobicContact CB-CB 4.49Å; L367-L369 HydrophobicContact CB-CD1 3.57Å; L367-L369 HydrophobicContact CB-CG 3.75Å; L367-L369 HydrophobicContact CD1-CD1 3.91Å; L367-L369 HydrophobicContact CG-CD1 4.39Å; L367-L369 PolarHBondContact O-N 3.22Å
368	N	74.7	Confident	80	Confident	146 Å²	146	48.9 Å²	48.9	78%	0.781	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	31.9	-171.6	-63.1	-45.5	0	0	0	113	M364 N365 G366	M364-N368 PolarHBondContact O-N 3.16Å; N365-N368 PolarHBondContact O-N 2.83Å; G366-N368 VanDerWaalsContact C-N 3.33Å
369	L	70.3	Confident	79.8	Confident	21 Å²	21	46.4 Å²	46.4	11%	0.11	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-99.5	122.4	-179.6	-61.3	169.6	0	0	0	109.5	K254 M364 L367 V374	K254-L369 HydrophobicContact CD-CD1 4.13Å; K254-L369 HydrophobicContact CD-CD2 4.24Å; M364-L369 PolarHBondContact O-N 3.49Å; L367-L369 HydrophobicContact CB-CB 4.49Å; L367-L369 HydrophobicContact CB-CD1 3.57Å; L367-L369 HydrophobicContact CB-CG 3.75Å; L367-L369 HydrophobicContact CD1-CD1 3.91Å; L367-L369 HydrophobicContact CG-CD1 4.39Å; L367-L369 PolarHBondContact O-N 3.22Å; L369-V374 HydrophobicContact CB-CG2 3.57Å; L369-V374 HydrophobicContact CD1-CG2 3.43Å; L369-V374 VanDerWaalsContact CD1-CG2 3.43Å; L369-V374 HydrophobicContact CD2-CG2 3.89Å; L369-V374 HydrophobicContact CG-CG2 3.78Å
370	T	68.2	Low	79.7	Confident	82 Å²	82	47.2 Å²	47.2	50%	0.503	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-91.7	152.4	174.3	59.2	0	0	0	0	111.6	G372 Q373	T370-G372 PolarHBondContact O-N 2.87Å; T370-Q373 PolarHBondContact O-N 2.91Å; T370-Q373 PolarHBondContact OG1-OE1 3.34Å
371	F	67.3	Low	79.9	Confident	80 Å²	80	47.5 Å²	47.5	35%	0.351	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-57.4	121.3	167.7	-70.7	-65.3	0	0	0	109.4	K361 M364 M409 L413	K361-F371 HydrophobicContact CG-CE2 4.37Å; K361-F371 HydrophobicContact CG-CZ 4Å; M364-F371 HydrophobicContact CE-CD1 3.45Å; M364-F371 VanDerWaalsContact CE-CD1 3.45Å; M364-F371 HydrophobicContact CE-CD2 4.5Å; M364-F371 HydrophobicContact CE-CE1 3.45Å; M364-F371 VanDerWaalsContact CE-CE1 3.45Å; M364-F371 HydrophobicContact CE-CE2 4.49Å; M364-F371 HydrophobicContact CE-CG 4.02Å; M364-F371 HydrophobicContact CE-CZ 4.01Å; M364-F371 HydrophobicContact SD-CD1 4.12Å; M364-F371 HydrophobicContact SD-CE1 3.46Å; M364-F371 WeakPolarHBondContact SD-CE1 3.41Å; M364-F371 HydrophobicContact SD-CZ 3.79Å; F371-M409 HydrophobicContact CE1-SD 4.49Å; F371-M409 HydrophobicContact CZ-SD 3.99Å; F371-L413 HydrophobicContact CD1-CD1 4.41Å; F371-L413 HydrophobicContact CD1-CD2 3.38Å; F371-L413 HydrophobicContact CD1-CG 4.45Å; F371-L413 HydrophobicContact CE1-CD1 3.96Å; F371-L413 HydrophobicContact CE1-CD2 3.73Å; F371-L413 HydrophobicContact CE1-CG 4.36Å; F371-L413 HydrophobicContact CG-CD2 4.3Å
372	G	68.6	Low	80	Confident	17 Å²	17	44.3 Å²	44.3	18%	0.175	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	121.1	-28.4	-169.3	0	0	0	0	0	113.7	K253 T370 Y418	K253-G372 PolarHBondContact NZ-O 3.14Å; T370-G372 PolarHBondContact O-N 2.87Å; G372-Y418 VanDerWaalsContact C-CE1 3.42Å; G372-Y418 WeakPolarHBondContact O-CE1 3.27Å; G372-Y418 PolarHBondContact O-OH 3.1Å
373	Q	74.4	Confident	79.5	Confident	104 Å²	104	40.7 Å²	40.7	49%	0.486	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-6.3	-176.8	-64.2	176.3	-36.7	0	0	113.1	K253 T370	K253-Q373 WeakPolarHBondContact CB-O 3.05Å; T370-Q373 PolarHBondContact O-N 2.91Å; T370-Q373 PolarHBondContact OG1-OE1 3.34Å
374	V	83.2	Confident	79.1	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.1	-176.5	160.2	0	0	0	0	110.8	K254 I256 M364 L369 Y418	K254-V374 HydrophobicContact CB-CG2 4.14Å; K254-V374 WeakPolarHBondContact O-CA 3.45Å; I256-V374 HydrophobicContact CB-CG1 4.33Å; I256-V374 HydrophobicContact CD1-CG1 3.79Å; I256-V374 HydrophobicContact CG1-CG1 3.82Å; M364-V374 HydrophobicContact CE-CB 4.31Å; M364-V374 HydrophobicContact CE-CG1 4.32Å; L369-V374 HydrophobicContact CB-CG2 3.57Å; L369-V374 HydrophobicContact CD1-CG2 3.43Å; L369-V374 VanDerWaalsContact CD1-CG2 3.43Å; L369-V374 HydrophobicContact CD2-CG2 3.89Å; L369-V374 HydrophobicContact CG-CG2 3.78Å; V374-Y418 WeakPolarHBondContact O-CD1 3.31Å
375	Y	87.9	Confident	78.7	Confident	23 Å²	23	44.1 Å²	44.1	9%	0.09	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	142.7	164	-75.1	-95.2	0	0	0	110.6	E249 V250 K253 K254 V255 I256 G417 Y418 I420	E249-Y375 HydrophobicContact CG-CE1 4.23Å; E249-Y375 PolarHBondContact O-OH 2.86Å; V250-Y375 HydrophobicContact CB-CD2 4.39Å; V250-Y375 HydrophobicContact CB-CE2 4.45Å; V250-Y375 HydrophobicContact CG1-CD2 4.14Å; V250-Y375 HydrophobicContact CG2-CD2 4.12Å; V250-Y375 HydrophobicContact CG2-CE2 4.4Å; V250-Y375 HydrophobicContact CG2-CG 4.35Å; K253-Y375 HydrophobicContact CB-CD2 4.08Å; K253-Y375 HydrophobicContact CB-CE2 4.17Å; K253-Y375 HydrophobicContact CD-CD2 4.32Å; K253-Y375 HydrophobicContact CD-CE2 3.81Å; K254-Y375 PolarHBondContact O-N 3.21Å; V255-Y375 CarbonylContact C-O 3.55Å; V255-Y375 WeakPolarHBondContact CA-O 3.43Å; I256-Y375 PolarHBondContact N-O 2.91Å; Y375-G417 WeakPolarHBondContact CE1-O 3.34Å; Y375-Y418 WeakPolarHBondContact CA-O 3.26Å; Y375-I420 HydrophobicContact CD1-CB 4.17Å
376	L	87.9	Confident	77.9	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.7	164.1	175.7	69.9	0	0	0	108.4	I256 V360 V410 L413 Y418 I419 I420	I256-L376 HydrophobicContact CB-CD1 4.4Å; I256-L376 HydrophobicContact CG2-CD1 4.12Å; V360-L376 HydrophobicContact CG1-CD1 4.44Å; L376-V410 HydrophobicContact CD2-CG2 4.05Å; L376-L413 HydrophobicContact CB-CD1 4.49Å; L376-L413 HydrophobicContact CD2-CD1 4.25Å; L376-Y418 PolarHBondContact N-O 2.9Å; L376-I419 HydrophobicContact CB-CD1 3.8Å; L376-I419 HydrophobicContact CD2-CD1 3.91Å; L376-I419 HydrophobicContact CG-CD1 4.15Å; L376-I419 WeakPolarHBondContact O-CA 3.37Å; L376-I420 PolarHBondContact O-N 3.1Å
377	A	90.2	Very high	77.1	Confident	6 Å²	6	39.1 Å²	39.1	5%	0.05	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.7	175.8	0	0	0	0	0	111.6	V255 I256 V257 L272 I420	V255-A377 HydrophobicContact CG1-CB 3.75Å; I256-A377 PolarHBondContact O-N 3.49Å; V257-A377 HydrophobicContact CB-CB 3.9Å; V257-A377 HydrophobicContact CG2-CB 4.01Å; L272-A377 HydrophobicContact CD1-CB 3.47Å; L272-A377 VanDerWaalsContact CD1-CB 3.47Å; A377-I420 CarbonylContact C-O 3.55Å; A377-I420 VanDerWaalsContact CA-O 3.28Å; A377-I420 WeakPolarHBondContact CA-O 3.12Å; A377-I420 HydrophobicContact CB-CG2 3.76Å
378	Q	85.4	Confident	76.3	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.042	22%	0.216	C	C	.	.			trans	-122.5	138.1	170.6	-56.2	-162.6	-36.1	0	0	110.4	T380 N405 I419 I420 E421	Q378-T380 PolarHBondContact O-N 3.01Å; Q378-T380 VanDerWaalsContact O-N 3.14Å; Q378-N405 PolarHBondContact NE2-O 3.45Å; Q378-I419 HydrophobicContact CG-CG2 4.19Å; Q378-I420 PolarHBondContact N-O 3.4Å; Q378-E421 HydrophobicContact CB-CG 4.11Å
379	G	81.5	Confident	75.2	Confident	19 Å²	19	35 Å²	35	20%	0.196	20%	0.201	C	C	.	.			trans	-80.8	32.4	173.2	0	0	0	0	0	113.2	L381	G379-L381 PolarHBondContact O-N 3.42Å
380	T	82.1	Confident	74.2	Confident	18 Å²	18	36.1 Å²	36.1	11%	0.11	21%	0.211	C	C	.	.			trans	-62.3	131	179	-47.8	0	0	0	0	109.6	Q378 D384 L385 E421 L423 K424	Q378-T380 PolarHBondContact O-N 3.01Å; Q378-T380 VanDerWaalsContact O-N 3.14Å; T380-D384 HydrophobicContact CG2-CB 3.94Å; T380-L385 HydrophobicContact CG2-CD2 3.9Å; T380-L385 HydrophobicContact CG2-CG 4.11Å; T380-E421 WeakPolarHBondContact CB-OE1 3.42Å; T380-E421 PolarHBondContact OG1-OE1 3.49Å; T380-L423 CarbonylContact O-C 3.54Å; T380-K424 WeakPolarHBondContact O-CA 3.14Å; T380-K424 PolarHBondContact O-N 3.33Å
381	L	85.2	Confident	73	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.052	20%	0.197	C	C	.	.			trans	-99.4	165.2	-178	-55.5	-171.9	0	0	0	112	D264 G379 D384 L385 L423 K428 V431	D264-L381 HydrophobicContact CB-CD2 4.38Å; G379-L381 PolarHBondContact O-N 3.42Å; L381-D384 PolarHBondContact N-OD2 2.89Å; L381-D384 WeakPolarHBondContact O-CB 3.2Å; L381-D384 PolarHBondContact O-N 2.74Å; L381-D384 VanDerWaalsContact O-N 3.13Å; L381-L385 PolarHBondContact O-N 3.47Å; L381-L423 HydrophobicContact CD2-CB 3.67Å; L381-L423 HydrophobicContact CD2-CD1 4.01Å; L381-K428 HydrophobicContact CD1-CB 4.24Å; L381-K428 HydrophobicContact CD1-CG 4.44Å; L381-V431 HydrophobicContact CD2-CG2 3.68Å
382	R	83.6	Confident	71.5	Confident	27 Å²	27	36.5 Å²	36.5	10%	0.102	21%	0.214	C	C	.	.	H	α-helix	trans	-56.7	-45	176.3	-174.7	177.7	174.6	92.3	5.7	113.2	D59 T69 D384 L385 I386 K424 D425 F426	D59-R382 IonicContact OD1-CZ 3.61Å; D59-R382 IonicContact OD1-NE 3.71Å; D59-R382 PolarHBondContact OD1-NE 2.69Å; D59-R382 IonicContact OD1-NH2 3.12Å; D59-R382 PolarHBondContact OD1-NH2 3.38Å; D59-R382 IonicContact OD2-CZ 2.71Å; D59-R382 IonicContact OD2-NE 3.36Å; D59-R382 PolarHBondContact OD2-NE 2.96Å; D59-R382 IonicContact OD2-NH2 2.83Å; T69-R382 PolarHBondContact O-NH2 3.48Å; T69-R382 PolarHBondContact OG1-NH2 3.09Å; R382-D384 VanDerWaalsContact C-N 3.25Å; R382-D384 PolarHBondContact O-N 2.98Å; R382-L385 PolarHBondContact O-N 2.68Å; R382-I386 HydrophobicContact CG-CD1 3.85Å; R382-I386 WeakPolarHBondContact O-CD1 2.92Å; R382-I386 WeakPolarHBondContact O-CG1 3.49Å; R382-I386 PolarHBondContact O-N 3.2Å; R382-K424 WeakPolarHBondContact CA-O 3.37Å; R382-K424 WeakPolarHBondContact CB-O 3.33Å; R382-K424 PolarHBondContact N-O 3.43Å; R382-D425 IonicContact CZ-OD1 3.81Å; R382-D425 IonicContact NH1-OD1 3.44Å; R382-D425 PolarHBondContact NH1-OD1 3.48Å; R382-F426 PolarHBondContact N-O 3.47Å
383	P	75.7	Confident	70	Confident	24 Å²	24	39.3 Å²	39.3	16%	0.156	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-33.4	175.5	-27.1	37	0	0	0	114.5	E387 H427	P383-E387 WeakPolarHBondContact O-CB 3.45Å; P383-E387 PolarHBondContact O-N 2.93Å; P383-H427 WeakPolarHBondContact CG-ND1 3.4Å
384	D	73.4	Confident	68.1	Low	39 Å²	39	37.1 Å²	37.1	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-42.9	179.2	-58.2	-37.9	0	0	0	110.2	T380 L381 R382 E387 S388 H403	T380-D384 HydrophobicContact CG2-CB 3.94Å; L381-D384 PolarHBondContact N-OD2 2.89Å; L381-D384 WeakPolarHBondContact O-CB 3.2Å; L381-D384 PolarHBondContact O-N 2.74Å; L381-D384 VanDerWaalsContact O-N 3.13Å; R382-D384 VanDerWaalsContact C-N 3.25Å; R382-D384 PolarHBondContact O-N 2.98Å; D384-E387 PolarHBondContact O-N 3.16Å; D384-S388 PolarHBondContact O-N 3.26Å; D384-H403 IonicContact OD1-CE1 2.74Å; D384-H403 PolarHBondContact OD1-CE1 3.2Å; D384-H403 IonicContact OD1-NE2 3.64Å; D384-H403 IonicContact OD2-CE1 3.29Å
385	L	73.2	Confident	65.5	Low	56 Å²	56	45.7 Å²	45.7	29%	0.293	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-42.6	176.8	-67.1	-175	0	0	0	112	T380 L381 R382 E387 S388 A389 K424	T380-L385 HydrophobicContact CG2-CD2 3.9Å; T380-L385 HydrophobicContact CG2-CG 4.11Å; L381-L385 PolarHBondContact O-N 3.47Å; R382-L385 PolarHBondContact O-N 2.68Å; L385-E387 VanDerWaalsContact C-N 3.32Å; L385-E387 PolarHBondContact O-N 2.99Å; L385-S388 WeakPolarHBondContact CA-OG 3.31Å; L385-S388 PolarHBondContact O-N 3.26Å; L385-S388 PolarHBondContact O-OG 2.89Å; L385-A389 WeakPolarHBondContact O-CB 3.33Å; L385-A389 PolarHBondContact O-N 3.48Å; L385-K424 HydrophobicContact CD1-CB 3.68Å
386	I	67.3	Low	62.9	Low	17 Å²	17	51.4 Å²	51.4	9%	0.087	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-44.9	175.7	-66.4	156.7	0	0	0	110.7	K56 M71 R382 S388 A389 S390	K56-I386 HydrophobicContact CD-CG2 4.3Å; K56-I386 HydrophobicContact CG-CG2 3.8Å; M71-I386 HydrophobicContact CE-CB 4.24Å; M71-I386 HydrophobicContact CE-CD1 3.31Å; M71-I386 HydrophobicContact CE-CG1 3.66Å; M71-I386 HydrophobicContact CE-CG2 3.55Å; M71-I386 HydrophobicContact SD-CB 4.43Å; M71-I386 HydrophobicContact SD-CG1 4.28Å; M71-I386 HydrophobicContact SD-CG2 3.3Å; M71-I386 WeakPolarHBondContact SD-CG2 3.44Å; R382-I386 HydrophobicContact CG-CD1 3.85Å; R382-I386 WeakPolarHBondContact O-CD1 2.92Å; R382-I386 WeakPolarHBondContact O-CG1 3.49Å; R382-I386 PolarHBondContact O-N 3.2Å; I386-S388 VanDerWaalsContact C-N 3.32Å; I386-S388 PolarHBondContact O-N 3.13Å; I386-A389 PolarHBondContact O-N 3.17Å; I386-S390 WeakPolarHBondContact O-CB 3.25Å; I386-S390 PolarHBondContact O-N 3.06Å; I386-S390 PolarHBondContact O-OG 3.32Å
387	E	63.3	Low	60.1	Low	54 Å²	54	53.3 Å²	53.3	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-39.2	177.3	-158.8	173.9	162.8	0	0	112.1	K56 P383 D384 L385 S390 S391 K401	K56-E387 IonicContact NZ-OE2 3.83Å; P383-E387 WeakPolarHBondContact O-CB 3.45Å; P383-E387 PolarHBondContact O-N 2.93Å; D384-E387 PolarHBondContact O-N 3.16Å; L385-E387 VanDerWaalsContact C-N 3.32Å; L385-E387 PolarHBondContact O-N 2.99Å; E387-S390 PolarHBondContact O-OG 3.13Å; E387-S391 WeakPolarHBondContact O-CB 3.29Å; E387-S391 PolarHBondContact O-N 3.25Å; E387-S391 PolarHBondContact O-OG 3.14Å; E387-K401 VanDerWaalsContact CD-NZ 3.28Å; E387-K401 VanDerWaalsContact OE1-CD 3.24Å; E387-K401 WeakPolarHBondContact OE1-CD 3.46Å; E387-K401 IonicContact OE1-NZ 2.93Å; E387-K401 PolarHBondContact OE1-NZ 3.48Å; E387-K401 IonicContact OE2-NZ 2.88Å; E387-K401 PolarHBondContact OE2-NZ 3.35Å
388	S	59.3	Low	57	Low	57 Å²	57	57.6 Å²	57.6	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-70.8	-33.5	177	73.8	0	0	0	0	113.1	D384 L385 I386 S391 I392	D384-S388 PolarHBondContact O-N 3.26Å; L385-S388 WeakPolarHBondContact CA-OG 3.31Å; L385-S388 PolarHBondContact O-N 3.26Å; L385-S388 PolarHBondContact O-OG 2.89Å; I386-S388 VanDerWaalsContact C-N 3.32Å; I386-S388 PolarHBondContact O-N 3.13Å; S388-S391 WeakPolarHBondContact CA-OG 3.37Å; S388-S391 PolarHBondContact O-OG 3.44Å; S388-I392 WeakPolarHBondContact O-CD1 3.29Å; S388-I392 VanDerWaalsContact O-CG1 3.32Å; S388-I392 WeakPolarHBondContact O-CG1 3.47Å; S388-I392 PolarHBondContact O-N 3.35Å
389	A	50.6	Low	54.5	Low	57 Å²	57	63.6 Å²	63.6	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-76.4	-41.8	178.4	0	0	0	0	0	112	L385 I386 S391 I392 A393	L385-A389 WeakPolarHBondContact O-CB 3.33Å; L385-A389 PolarHBondContact O-N 3.48Å; I386-A389 PolarHBondContact O-N 3.17Å; A389-S391 VanDerWaalsContact C-N 3.29Å; A389-S391 PolarHBondContact O-N 2.91Å; A389-I392 PolarHBondContact O-N 2.96Å; A389-I392 VanDerWaalsContact O-N 3.16Å; A389-A393 PolarHBondContact O-N 2.71Å
390	S	49.2	Very low	52.1	Low	45 Å²	45	67.9 Å²	67.9	32%	0.315	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-31.6	178.7	65.9	0	0	0	0	112.3	I386 E387 A393 S394	I386-S390 WeakPolarHBondContact O-CB 3.25Å; I386-S390 PolarHBondContact O-N 3.06Å; I386-S390 PolarHBondContact O-OG 3.32Å; E387-S390 PolarHBondContact O-OG 3.13Å; S390-A393 PolarHBondContact O-N 2.97Å; S390-S394 VanDerWaalsContact O-CB 3.28Å; S390-S394 WeakPolarHBondContact O-CB 3.32Å; S390-S394 PolarHBondContact O-N 3.03Å
391	S	44.4	Very low	49.9	Very low	31 Å²	31	71.5 Å²	71.5	22%	0.217	41%	0.408	C	S	.	.	H	α-helix	trans	-71.6	-28.3	172.5	50.2	0	0	0	0	113.7	E387 S388 A389 S394	E387-S391 WeakPolarHBondContact O-CB 3.29Å; E387-S391 PolarHBondContact O-N 3.25Å; E387-S391 PolarHBondContact O-OG 3.14Å; S388-S391 WeakPolarHBondContact CA-OG 3.37Å; S388-S391 PolarHBondContact O-OG 3.44Å; A389-S391 VanDerWaalsContact C-N 3.29Å; A389-S391 PolarHBondContact O-N 2.91Å; S391-S394 CarbonylContact O-C 3.27Å
392	I	34.9	Very low	47.4	Very low	139 Å²	139	74.4 Å²	74.4	71%	0.713	43%	0.427	S	S	*	.	H	α-helix	trans	-73	-40.1	170.7	-65.6	165.9	0	0	0	110.4	S388 A389	S388-I392 WeakPolarHBondContact O-CD1 3.29Å; S388-I392 VanDerWaalsContact O-CG1 3.32Å; S388-I392 WeakPolarHBondContact O-CG1 3.47Å; S388-I392 PolarHBondContact O-N 3.35Å; A389-I392 PolarHBondContact O-N 2.96Å; A389-I392 VanDerWaalsContact O-N 3.16Å
393	A	36.4	Very low	45.4	Very low	75 Å²	75	76.9 Å²	76.9	62%	0.62	44%	0.439	S	S	*	.	H	α-helix	trans	-71.3	-35.6	177.7	0	0	0	0	0	112.6	A389 S390	A389-A393 PolarHBondContact O-N 2.71Å; S390-A393 PolarHBondContact O-N 2.97Å
394	S	35.1	Very low	44.1	Very low	59 Å²	59	78.6 Å²	78.6	41%	0.413	45%	0.445	S	S	.	.			trans	-104.3	91.1	174.8	-172.5	0	0	0	0	109.7	S390 S391 Q396 A397	S390-S394 VanDerWaalsContact O-CB 3.28Å; S390-S394 WeakPolarHBondContact O-CB 3.32Å; S390-S394 PolarHBondContact O-N 3.03Å; S391-S394 CarbonylContact O-C 3.27Å; S394-Q396 PolarHBondContact O-N 2.83Å; S394-A397 PolarHBondContact O-N 3.15Å; S394-A397 VanDerWaalsContact O-N 3.11Å
395	M	29.2	Very low	43.2	Very low	186 Å²	186	79.9 Å²	79.9	92%	0.916	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-5.8	173.6	-80.2	-165.9	-122.2	0	0	114.5
396	Q	32.3	Very low	42.5	Very low	143 Å²	143	79.9 Å²	79.9	67%	0.668	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.5	178.8	-68.5	-171.5	-11.2	0	0	115	S394 N398 R536	S394-Q396 PolarHBondContact O-N 2.83Å; Q396-N398 VanDerWaalsContact C-N 3.3Å; Q396-N398 PolarHBondContact O-N 2.79Å; Q396-R536 PolarHBondContact O-NH2 3.19Å
397	A	29.4	Very low	42.2	Very low	48 Å²	48	79.8 Å²	79.8	40%	0.397	45%	0.452	S	S	.	.			trans	-78.1	79	175.4	0	0	0	0	0	111.2	S394	S394-A397 PolarHBondContact O-N 3.15Å; S394-A397 VanDerWaalsContact O-N 3.11Å
398	N	26.6	Very low	42.2	Very low	97 Å²	97	79.5 Å²	79.5	52%	0.519	46%	0.464	S	S	.	.			trans	-54	145.2	176.7	-79.5	-33.2	0	0	0	114.5	Q396	Q396-N398 VanDerWaalsContact C-N 3.3Å; Q396-N398 PolarHBondContact O-N 2.79Å
399	V	32.2	Very low	42.3	Very low	134 Å²	134	77.9 Å²	77.9	81%	0.812	45%	0.45	S	S	*	.	S	Bend	trans	41.6	79.6	169.2	-166.4	0	0	0	0	113.7	K401	V399-K401 PolarHBondContact O-N 3.21Å
400	I	30.8	Very low	43.2	Very low	110 Å²	110	75.1 Å²	75.1	56%	0.564	43%	0.428	S	S	*	.			trans	-45.5	131.6	-179.3	-61.9	165.6	0	0	0	111.5	T402	I400-T402 VanDerWaalsContact C-N 3.29Å; I400-T402 PolarHBondContact O-N 3.46Å
401	K	35.8	Very low	44.2	Very low	93 Å²	93	79.1 Å²	79.1	40%	0.404	44%	0.436	S	S	.	.			trans	-51.5	91.7	163.8	-164.2	-175.1	-165.5	177.3	0	107.9	E387 V399 H403	E387-K401 VanDerWaalsContact CD-NZ 3.28Å; E387-K401 VanDerWaalsContact OE1-CD 3.24Å; E387-K401 WeakPolarHBondContact OE1-CD 3.46Å; E387-K401 IonicContact OE1-NZ 2.93Å; E387-K401 PolarHBondContact OE1-NZ 3.48Å; E387-K401 IonicContact OE2-NZ 2.88Å; E387-K401 PolarHBondContact OE2-NZ 3.35Å; V399-K401 PolarHBondContact O-N 3.21Å; K401-H403 PolarHBondContact O-N 3.05Å
402	T	33	Very low	45.5	Very low	71 Å²	71	82.9 Å²	82.9	44%	0.436	45%	0.45	S	S	.	.			trans	-59.1	104.6	176.7	55	0	0	0	0	107.5	I400 H404	I400-T402 VanDerWaalsContact C-N 3.29Å; I400-T402 PolarHBondContact O-N 3.46Å; T402-H404 PolarHBondContact O-N 3.3Å
403	H	42.2	Very low	47.2	Very low	79 Å²	79	76.7 Å²	76.7	37%	0.366	42%	0.419	S	S	.	.			trans	-59	134.1	167.6	-93.8	-97.5	0	0	0	106.6	D384 K401 N405 D406	D384-H403 IonicContact OD1-CE1 2.74Å; D384-H403 PolarHBondContact OD1-CE1 3.2Å; D384-H403 IonicContact OD1-NE2 3.64Å; D384-H403 IonicContact OD2-CE1 3.29Å; K401-H403 PolarHBondContact O-N 3.05Å; H403-N405 PolarHBondContact O-N 3.34Å; H403-D406 HydrophobicContact CB-CB 4.17Å; H403-D406 PolarHBondContact O-N 3.09Å
404	H	47.3	Very low	49.2	Very low	61 Å²	61	77.7 Å²	77.7	28%	0.282	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-17	178.3	-64	-62.6	0	0	0	112.9	T402 P453	T402-H404 PolarHBondContact O-N 3.3Å; H404-P453 WeakPolarHBondContact CE1-CD 3.5Å; H404-P453 WeakPolarHBondContact CE1-CG 3.28Å; H404-P453 WeakPolarHBondContact ND1-CG 3.31Å; H404-P453 WeakPolarHBondContact NE2-CD 3.34Å
405	N	54.7	Low	51.1	Low	65 Å²	65	82.8 Å²	82.8	35%	0.348	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.4	177.8	-70.1	-6.3	0	0	0	114.2	Q378 H403 T407 V410	Q378-N405 PolarHBondContact NE2-O 3.45Å; H403-N405 PolarHBondContact O-N 3.34Å; N405-T407 PolarHBondContact O-N 2.76Å; N405-V410 VanDerWaalsContact O-CB 3.29Å; N405-V410 WeakPolarHBondContact O-CB 3.42Å; N405-V410 VanDerWaalsContact O-CG1 3.3Å; N405-V410 WeakPolarHBondContact O-CG1 3.28Å; N405-V410 WeakPolarHBondContact O-CG2 3.15Å
406	D	58.5	Low	53.4	Low	57 Å²	57	81.8 Å²	81.8	31%	0.305	41%	0.41	S	S	.	.			trans	-96.7	69.4	179.9	-174.6	29.7	0	0	0	111.5	H403 R411	H403-D406 HydrophobicContact CB-CB 4.17Å; H403-D406 PolarHBondContact O-N 3.09Å; D406-R411 WeakPolarHBondContact OD1-CG 3.42Å; D406-R411 IonicContact OD1-CZ 2.96Å; D406-R411 IonicContact OD1-NE 3.63Å; D406-R411 PolarHBondContact OD1-NE 3.44Å; D406-R411 IonicContact OD1-NH2 2.71Å; D406-R411 IonicContact OD2-CZ 3.96Å; D406-R411 IonicContact OD2-NE 3.6Å; D406-R411 PolarHBondContact OD2-NE 3.05Å; D406-R411 VanDerWaalsContact OD2-NE 3.14Å; D406-R411 IonicContact OD2-NH2 3.62Å; D406-R411 PolarHBondContact OD2-NH2 3.17Å
407	T	61.7	Low	55.8	Low	14 Å²	14	76.8 Å²	76.8	9%	0.086	40%	0.397	C	S	.	.			trans	-89.6	162.4	173.8	62.9	0	0	0	0	110.8	M357 N405 M409 V410 R411	M357-T407 HydrophobicContact CE-CG2 4.13Å; M357-T407 HydrophobicContact CG-CG2 3.65Å; M357-T407 VanDerWaalsContact CG-OG1 3.3Å; M357-T407 WeakPolarHBondContact CG-OG1 3.48Å; N405-T407 PolarHBondContact O-N 2.76Å; T407-M409 PolarHBondContact O-N 3.45Å; T407-V410 PolarHBondContact O-N 2.88Å; T407-V410 PolarHBondContact OG1-N 3.38Å; T407-R411 PolarHBondContact O-N 2.85Å; T407-R411 VanDerWaalsContact O-N 3.09Å
408	G	62.1	Low	58.4	Low	48 Å²	48	77 Å²	77	50%	0.495	39%	0.388	S	S	.	.	H	α-helix	trans	-53.4	-31.6	175.9	0	0	0	0	0	113.4	Q412	G408-Q412 WeakPolarHBondContact O-CG 3.42Å; G408-Q412 PolarHBondContact O-N 3.26Å
409	M	62.9	Low	61.2	Low	23 Å²	23	73 Å²	73	11%	0.113	37%	0.366	C	S	.	.	H	α-helix	trans	-70	-45.5	174.7	-173.3	-176.3	87.6	0	0	112.7	M357 K361 F371 T407 R411 Q412 L413	M357-M409 HydrophobicContact CB-CE 3.99Å; M357-M409 HydrophobicContact CB-SD 4.33Å; M357-M409 HydrophobicContact CG-CE 4.16Å; M357-M409 HydrophobicContact SD-CE 3.41Å; M357-M409 WeakPolarHBondContact SD-CE 3.39Å; K361-M409 HydrophobicContact CD-SD 4.15Å; K361-M409 WeakPolarHBondContact CE-SD 3.43Å; K361-M409 HydrophobicContact CG-SD 3.98Å; F371-M409 HydrophobicContact CE1-SD 4.49Å; F371-M409 HydrophobicContact CZ-SD 3.99Å; T407-M409 PolarHBondContact O-N 3.45Å; M409-R411 PolarHBondContact O-N 2.9Å; M409-Q412 WeakPolarHBondContact O-CB 3.27Å; M409-Q412 PolarHBondContact O-N 2.92Å; M409-Q412 VanDerWaalsContact O-N 3.1Å; M409-L413 HydrophobicContact CE-CD1 4.14Å; M409-L413 HydrophobicContact CG-CD1 4.38Å; M409-L413 WeakPolarHBondContact O-CG 3.47Å; M409-L413 PolarHBondContact O-N 3.11Å
410	V	69.6	Low	64	Low	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-38.6	179	166.2	0	0	0	0	110.6	M357 L376 N405 T407 Q412 L413 R414 I419	M357-V410 HydrophobicContact CE-CG2 3.8Å; M357-V410 HydrophobicContact SD-CG2 3.8Å; L376-V410 HydrophobicContact CD2-CG2 4.05Å; N405-V410 VanDerWaalsContact O-CB 3.29Å; N405-V410 WeakPolarHBondContact O-CB 3.42Å; N405-V410 VanDerWaalsContact O-CG1 3.3Å; N405-V410 WeakPolarHBondContact O-CG1 3.28Å; N405-V410 WeakPolarHBondContact O-CG2 3.15Å; T407-V410 PolarHBondContact O-N 2.88Å; T407-V410 PolarHBondContact OG1-N 3.38Å; V410-Q412 VanDerWaalsContact C-N 3.35Å; V410-Q412 PolarHBondContact O-N 2.93Å; V410-L413 PolarHBondContact O-N 3.43Å; V410-R414 VanDerWaalsContact O-CB 3.29Å; V410-R414 WeakPolarHBondContact O-CB 3.23Å; V410-R414 PolarHBondContact O-N 3.43Å; V410-I419 HydrophobicContact CG1-CD1 4.25Å; V410-I419 HydrophobicContact CG1-CG1 4.5Å
411	R	70	Confident	66.9	Low	128 Å²	128	62.6 Å²	62.6	48%	0.483	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-44.1	173.5	-64.5	178.4	-177.7	177.1	-2.2	112.1	D406 T407 M409 R414 Q415	D406-R411 WeakPolarHBondContact OD1-CG 3.42Å; D406-R411 IonicContact OD1-CZ 2.96Å; D406-R411 IonicContact OD1-NE 3.63Å; D406-R411 PolarHBondContact OD1-NE 3.44Å; D406-R411 IonicContact OD1-NH2 2.71Å; D406-R411 IonicContact OD2-CZ 3.96Å; D406-R411 IonicContact OD2-NE 3.6Å; D406-R411 PolarHBondContact OD2-NE 3.05Å; D406-R411 VanDerWaalsContact OD2-NE 3.14Å; D406-R411 IonicContact OD2-NH2 3.62Å; D406-R411 PolarHBondContact OD2-NH2 3.17Å; T407-R411 PolarHBondContact O-N 2.85Å; T407-R411 VanDerWaalsContact O-N 3.09Å; M409-R411 PolarHBondContact O-N 2.9Å; R411-R414 PolarHBondContact O-N 3.17Å; R411-Q415 WeakPolarHBondContact O-CB 3.19Å; R411-Q415 VanDerWaalsContact O-CG 3.28Å; R411-Q415 WeakPolarHBondContact O-CG 3.32Å; R411-Q415 PolarHBondContact O-N 3.47Å
412	Q	70	Confident	69.5	Low	110 Å²	110	58.2 Å²	58.2	51%	0.514	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-40.4	176	-70.9	176.2	9.1	0	0	112.4	G408 M409 V410 R416	G408-Q412 WeakPolarHBondContact O-CG 3.42Å; G408-Q412 PolarHBondContact O-N 3.26Å; M409-Q412 WeakPolarHBondContact O-CB 3.27Å; M409-Q412 PolarHBondContact O-N 2.92Å; M409-Q412 VanDerWaalsContact O-N 3.1Å; V410-Q412 VanDerWaalsContact C-N 3.35Å; V410-Q412 PolarHBondContact O-N 2.93Å; Q412-R416 WeakPolarHBondContact O-CB 3.32Å; Q412-R416 VanDerWaalsContact O-CG 3.29Å; Q412-R416 WeakPolarHBondContact O-CG 3.26Å; Q412-R416 PolarHBondContact O-N 3.47Å; Q412-R416 VanDerWaalsContact O-N 3.11Å
413	L	71.7	Confident	72.3	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-40	176.1	-67.3	175.6	0	0	0	112	F371 L376 M409 V410 R416 G417 Y418 I419	F371-L413 HydrophobicContact CD1-CD1 4.41Å; F371-L413 HydrophobicContact CD1-CD2 3.38Å; F371-L413 HydrophobicContact CD1-CG 4.45Å; F371-L413 HydrophobicContact CE1-CD1 3.96Å; F371-L413 HydrophobicContact CE1-CD2 3.73Å; F371-L413 HydrophobicContact CE1-CG 4.36Å; F371-L413 HydrophobicContact CG-CD2 4.3Å; L376-L413 HydrophobicContact CB-CD1 4.49Å; L376-L413 HydrophobicContact CD2-CD1 4.25Å; M409-L413 HydrophobicContact CE-CD1 4.14Å; M409-L413 HydrophobicContact CG-CD1 4.38Å; M409-L413 WeakPolarHBondContact O-CG 3.47Å; M409-L413 PolarHBondContact O-N 3.11Å; V410-L413 PolarHBondContact O-N 3.43Å; L413-R416 CarbonylContact O-C 3.51Å; L413-R416 PolarHBondContact O-N 3.2Å; L413-G417 PolarHBondContact O-N 2.92Å; L413-G417 VanDerWaalsContact O-N 3.09Å; L413-Y418 PolarHBondContact O-N 2.97Å; L413-I419 HydrophobicContact CB-CD1 3.72Å; L413-I419 HydrophobicContact CB-CG1 3.85Å; L413-I419 HydrophobicContact CD1-CD1 4.26Å
414	R	78.1	Confident	74.5	Confident	96 Å²	96	54.8 Å²	54.8	36%	0.362	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-47.3	176.5	-172.3	-178.6	-69.1	-91.5	-2.4	110.6	V410 R411 R416 G417 I419 E421	V410-R414 VanDerWaalsContact O-CB 3.29Å; V410-R414 WeakPolarHBondContact O-CB 3.23Å; V410-R414 PolarHBondContact O-N 3.43Å; R411-R414 PolarHBondContact O-N 3.17Å; R414-R416 PolarHBondContact O-N 3.31Å; R414-G417 PolarHBondContact O-N 3.01Å; R414-I419 HydrophobicContact CB-CB 4.38Å; R414-I419 HydrophobicContact CB-CG1 3.88Å; R414-E421 IonicContact CZ-OE1 3.14Å; R414-E421 IonicContact CZ-OE2 2.72Å; R414-E421 IonicContact NH1-OE1 2.79Å; R414-E421 PolarHBondContact NH1-OE1 3.38Å; R414-E421 VanDerWaalsContact NH1-OE1 3.12Å; R414-E421 IonicContact NH1-OE2 3.59Å; R414-E421 PolarHBondContact NH1-OE2 2.96Å; R414-E421 IonicContact NH2-OE1 2.95Å; R414-E421 PolarHBondContact NH2-OE1 3.39Å; R414-E421 IonicContact NH2-OE2 3.1Å
415	Q	74.9	Confident	76.5	Confident	165 Å²	165	53.8 Å²	53.8	77%	0.771	26%	0.262	S	S	*	.	H	α-helix	trans	-61.1	-30.9	175.6	-73.9	172.3	-0.2	0	0	113.2	R411	R411-Q415 WeakPolarHBondContact O-CB 3.19Å; R411-Q415 VanDerWaalsContact O-CG 3.28Å; R411-Q415 WeakPolarHBondContact O-CG 3.32Å; R411-Q415 PolarHBondContact O-N 3.47Å
416	R	78.2	Confident	78.2	Confident	165 Å²	165	50.8 Å²	50.8	62%	0.623	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.3	176.5	-68	177.4	-178.9	-172.9	1	113.8	Q412 L413 R414 Y418	Q412-R416 WeakPolarHBondContact O-CB 3.32Å; Q412-R416 VanDerWaalsContact O-CG 3.29Å; Q412-R416 WeakPolarHBondContact O-CG 3.26Å; Q412-R416 PolarHBondContact O-N 3.47Å; Q412-R416 VanDerWaalsContact O-N 3.11Å; L413-R416 CarbonylContact O-C 3.51Å; L413-R416 PolarHBondContact O-N 3.2Å; R414-R416 PolarHBondContact O-N 3.31Å; R416-Y418 HydrophobicContact CB-CD2 3.68Å; R416-Y418 HydrophobicContact CB-CE2 4.09Å; R416-Y418 VanDerWaalsContact O-CD2 3.25Å; R416-Y418 WeakPolarHBondContact O-CD2 3.22Å; R416-Y418 VanDerWaalsContact O-CE2 3.28Å; R416-Y418 WeakPolarHBondContact O-CE2 3.44Å
417	G	81.7	Confident	79.5	Confident	39 Å²	39	48.5 Å²	48.5	40%	0.402	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	27.2	-179.9	0	0	0	0	0	115	Y375 L413 R414	Y375-G417 WeakPolarHBondContact CE1-O 3.34Å; L413-G417 PolarHBondContact O-N 2.92Å; L413-G417 VanDerWaalsContact O-N 3.09Å; R414-G417 PolarHBondContact O-N 3.01Å
418	Y	83.7	Confident	80.5	Confident	52 Å²	52	50 Å²	50	20%	0.204	24%	0.239	C	C	.	.			trans	-109.6	19.6	179.7	-69.6	-71.8	0	0	0	113.8	K253 G372 V374 Y375 L376 L413 R416	K253-Y418 HydrophobicContact CD-CE1 4.48Å; K253-Y418 PolarHBondContact NZ-OH 3.34Å; G372-Y418 VanDerWaalsContact C-CE1 3.42Å; G372-Y418 WeakPolarHBondContact O-CE1 3.27Å; G372-Y418 PolarHBondContact O-OH 3.1Å; V374-Y418 WeakPolarHBondContact O-CD1 3.31Å; Y375-Y418 WeakPolarHBondContact CA-O 3.26Å; L376-Y418 PolarHBondContact N-O 2.9Å; L413-Y418 PolarHBondContact O-N 2.97Å; R416-Y418 HydrophobicContact CB-CD2 3.68Å; R416-Y418 HydrophobicContact CB-CE2 4.09Å; R416-Y418 VanDerWaalsContact O-CD2 3.25Å; R416-Y418 WeakPolarHBondContact O-CD2 3.22Å; R416-Y418 VanDerWaalsContact O-CE2 3.28Å; R416-Y418 WeakPolarHBondContact O-CE2 3.44Å
419	I	87.2	Confident	81.5	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.072	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.3	171.5	-64.8	-58.2	0	0	0	107.8	L376 Q378 V410 L413 R414 E421	L376-I419 HydrophobicContact CB-CD1 3.8Å; L376-I419 HydrophobicContact CD2-CD1 3.91Å; L376-I419 HydrophobicContact CG-CD1 4.15Å; L376-I419 WeakPolarHBondContact O-CA 3.37Å; Q378-I419 HydrophobicContact CG-CG2 4.19Å; V410-I419 HydrophobicContact CG1-CD1 4.25Å; V410-I419 HydrophobicContact CG1-CG1 4.5Å; L413-I419 HydrophobicContact CB-CD1 3.72Å; L413-I419 HydrophobicContact CB-CG1 3.85Å; L413-I419 HydrophobicContact CD1-CD1 4.26Å; R414-I419 HydrophobicContact CB-CB 4.38Å; R414-I419 HydrophobicContact CB-CG1 3.88Å; I419-E421 HydrophobicContact CG2-CG 3.85Å
420	I	90.3	Very high	82.8	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.5	170.3	-169	164.9	0	0	0	109.6	I246 V250 V255 L272 Y375 L376 A377 Q378 P422	I246-I420 HydrophobicContact CB-CD1 4.25Å; I246-I420 HydrophobicContact CG1-CD1 3.99Å; I246-I420 HydrophobicContact CG2-CD1 4.03Å; V250-I420 HydrophobicContact CG2-CD1 3.48Å; V250-I420 VanDerWaalsContact CG2-CD1 3.48Å; V255-I420 HydrophobicContact CG1-CG2 3.85Å; L272-I420 HydrophobicContact CD2-CG2 4.49Å; Y375-I420 HydrophobicContact CD1-CB 4.17Å; L376-I420 PolarHBondContact O-N 3.1Å; A377-I420 CarbonylContact C-O 3.55Å; A377-I420 VanDerWaalsContact CA-O 3.28Å; A377-I420 WeakPolarHBondContact CA-O 3.12Å; A377-I420 HydrophobicContact CB-CG2 3.76Å; Q378-I420 PolarHBondContact N-O 3.4Å; I420-P422 HydrophobicContact CG1-CG 4.26Å; I420-P422 WeakPolarHBondContact O-CD 3.32Å
421	E	90.7	Very high	83.8	Confident	22 Å²	22	49.3 Å²	49.3	10%	0.103	22%	0.224	C	C	.	.			trans	-125.9	78.3	-178.9	-69.1	174.7	126.6	0	0	109.9	Q378 T380 R414 I419 L423 K424	Q378-E421 HydrophobicContact CB-CG 4.11Å; T380-E421 WeakPolarHBondContact CB-OE1 3.42Å; T380-E421 PolarHBondContact OG1-OE1 3.49Å; R414-E421 IonicContact CZ-OE1 3.14Å; R414-E421 IonicContact CZ-OE2 2.72Å; R414-E421 IonicContact NH1-OE1 2.79Å; R414-E421 PolarHBondContact NH1-OE1 3.38Å; R414-E421 VanDerWaalsContact NH1-OE1 3.12Å; R414-E421 IonicContact NH1-OE2 3.59Å; R414-E421 PolarHBondContact NH1-OE2 2.96Å; R414-E421 IonicContact NH2-OE1 2.95Å; R414-E421 PolarHBondContact NH2-OE1 3.39Å; R414-E421 IonicContact NH2-OE2 3.1Å; I419-E421 HydrophobicContact CG2-CG 3.85Å; E421-L423 PolarHBondContact O-N 3.5Å; E421-K424 HydrophobicContact CB-CB 3.93Å; E421-K424 HydrophobicContact CB-CD 4.28Å; E421-K424 HydrophobicContact CB-CG 4.49Å; E421-K424 WeakPolarHBondContact O-CB 3.47Å; E421-K424 WeakPolarHBondContact O-CG 3.28Å; E421-K424 PolarHBondContact O-N 2.85Å
422	P	91.1	Very high	84.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.5	-175.1	-26	36	0	0	0	113.1	C242 I246 L271 L272 I420 K424	C242-P422 PolarHBondContact SG-O 3Å; I246-P422 HydrophobicContact CD1-CB 3.98Å; I246-P422 HydrophobicContact CD1-CG 4.23Å; I246-P422 HydrophobicContact CG1-CB 4.47Å; I246-P422 HydrophobicContact CG1-CG 4.45Å; L271-P422 HydrophobicContact CD2-CB 3.73Å; L272-P422 HydrophobicContact CD2-CG 3.92Å; L272-P422 HydrophobicContact CG-CG 4.22Å; I420-P422 HydrophobicContact CG1-CG 4.26Å; I420-P422 WeakPolarHBondContact O-CD 3.32Å; P422-K424 VanDerWaalsContact C-N 3.33Å; P422-K424 PolarHBondContact O-N 3.41Å
423	L	92.2	Very high	85.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5.1	-174.7	-54.1	-175.1	0	0	0	113.9	D264 V267 C268 L271 T380 L381 E421 D425 F426 V431 L434	D264-L423 HydrophobicContact CB-CD1 4.41Å; D264-L423 VanDerWaalsContact O-CD1 3.26Å; D264-L423 WeakPolarHBondContact O-CD1 3.27Å; V267-L423 HydrophobicContact CG1-CD2 4.18Å; C268-L423 HydrophobicContact CB-CD1 3.94Å; C268-L423 HydrophobicContact CB-CG 4.25Å; L271-L423 HydrophobicContact CD2-CD2 4.16Å; T380-L423 CarbonylContact O-C 3.54Å; L381-L423 HydrophobicContact CD2-CB 3.67Å; L381-L423 HydrophobicContact CD2-CD1 4.01Å; E421-L423 PolarHBondContact O-N 3.5Å; L423-D425 PolarHBondContact O-N 2.9Å; L423-F426 PolarHBondContact O-N 3.34Å; L423-V431 HydrophobicContact CB-CG2 4.49Å; L423-V431 HydrophobicContact CD1-CG1 4.15Å; L423-V431 HydrophobicContact CD1-CG2 4.15Å; L423-V431 HydrophobicContact CD2-CG2 4.42Å; L423-L434 HydrophobicContact CD2-CD2 4.05Å
424	K	88.6	Confident	86.7	Confident	78 Å²	78	41.7 Å²	41.7	34%	0.339	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	-174.4	71	-178.6	-178.8	179.6	0	115.1	R245 T380 R382 L385 E421 P422	R245-K424 VanDerWaalsContact NH1-CE 3.35Å; T380-K424 WeakPolarHBondContact O-CA 3.14Å; T380-K424 PolarHBondContact O-N 3.33Å; R382-K424 WeakPolarHBondContact CA-O 3.37Å; R382-K424 WeakPolarHBondContact CB-O 3.33Å; R382-K424 PolarHBondContact N-O 3.43Å; L385-K424 HydrophobicContact CD1-CB 3.68Å; E421-K424 HydrophobicContact CB-CB 3.93Å; E421-K424 HydrophobicContact CB-CD 4.28Å; E421-K424 HydrophobicContact CB-CG 4.49Å; E421-K424 WeakPolarHBondContact O-CB 3.47Å; E421-K424 WeakPolarHBondContact O-CG 3.28Å; E421-K424 PolarHBondContact O-N 2.85Å; P422-K424 VanDerWaalsContact C-N 3.33Å; P422-K424 PolarHBondContact O-N 3.41Å
425	D	88.6	Confident	87.3	Confident	40 Å²	40	37.1 Å²	37.1	21%	0.214	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	2.3	178.4	-172.7	52.9	0	0	0	112.4	R63 R238 R382 L423	R63-D425 IonicContact CZ-OD1 3.14Å; R63-D425 PolarHBondContact NH1-O 2.67Å; R63-D425 PolarHBondContact NH2-O 3.04Å; R63-D425 IonicContact NH2-OD1 3.76Å; R63-D425 PolarHBondContact NH2-OD1 3.02Å; R63-D425 IonicContact NH2-OD2 3.65Å; R63-D425 PolarHBondContact NH2-OD2 3.32Å; R238-D425 IonicContact CZ-OD2 2.86Å; R238-D425 IonicContact NE-OD2 3.16Å; R238-D425 PolarHBondContact NH2-O 3.14Å; R238-D425 IonicContact NH2-OD2 3.22Å; R382-D425 IonicContact CZ-OD1 3.81Å; R382-D425 IonicContact NH1-OD1 3.44Å; R382-D425 PolarHBondContact NH1-OD1 3.48Å; L423-D425 PolarHBondContact O-N 2.9Å
426	F	90.4	Very high	88.1	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.009	16%	0.164	C	C	.	.			trans	-106.9	138.6	-174.9	-63.5	-96.3	0	0	0	112.1	M235 R238 C242 R382 L423 E430 V431 L434	M235-F426 HydrophobicContact CE-CD1 3.98Å; M235-F426 HydrophobicContact CE-CE1 3.87Å; M235-F426 HydrophobicContact SD-CD1 4.45Å; M235-F426 HydrophobicContact SD-CE1 4.38Å; R238-F426 HydrophobicContact CB-CE1 4.14Å; R238-F426 HydrophobicContact CB-CZ 4.09Å; C242-F426 HydrophobicContact CB-CE2 4.31Å; C242-F426 HydrophobicContact CB-CZ 4.4Å; R382-F426 PolarHBondContact N-O 3.47Å; L423-F426 PolarHBondContact O-N 3.34Å; F426-E430 VanDerWaalsContact CA-OE2 3.26Å; F426-E430 WeakPolarHBondContact CA-OE2 3.28Å; F426-E430 HydrophobicContact CB-CB 4.37Å; F426-E430 HydrophobicContact CD1-CB 4.1Å; F426-V431 HydrophobicContact CB-CG2 3.71Å; F426-L434 HydrophobicContact CE1-CD2 4.4Å
427	H	86.7	Confident	88.7	Confident	8 Å²	8	31.5 Å²	31.5	4%	0.037	16%	0.157	C	C	.	.			trans	-78.8	163.8	164.5	-76.8	-73.9	0	0	0	110.7	D59 R63 P383 D429 E430 V431	D59-H427 IonicContact OD2-CD2 2.75Å; D59-H427 IonicContact OD2-CE1 3.63Å; D59-H427 PolarHBondContact OD2-CE1 3.19Å; D59-H427 IonicContact OD2-NE2 3.47Å; D59-H427 PolarHBondContact OD2-NE2 3.35Å; R63-H427 PolarHBondContact NH1-CD2 2.67Å; P383-H427 WeakPolarHBondContact CG-ND1 3.4Å; H427-D429 WeakPolarHBondContact CB-OD1 3.34Å; H427-D429 PolarHBondContact O-N 3.24Å; H427-E430 HydrophobicContact CB-CG 4.11Å; H427-E430 PolarHBondContact N-OE2 3.2Å; H427-E430 WeakPolarHBondContact O-CB 3.34Å; H427-E430 PolarHBondContact O-N 2.96Å; H427-V431 VanDerWaalsContact O-CG2 3.31Å; H427-V431 WeakPolarHBondContact O-CG2 3.05Å; H427-V431 PolarHBondContact O-N 3.33Å
428	K	82.3	Confident	89.1	Confident	45 Å²	45	31 Å²	31	20%	0.196	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-35	-171.8	-168.1	172.3	-172.4	173.6	0	114	L381 R432 F660	L381-K428 HydrophobicContact CD1-CB 4.24Å; L381-K428 HydrophobicContact CD1-CG 4.44Å; K428-R432 PolarHBondContact O-N 3.05Å; K428-F660 HydrophobicContact CD-CD2 3.73Å; K428-F660 HydrophobicContact CD-CE2 4.04Å
429	D	83.4	Confident	89.2	Confident	42 Å²	42	31.2 Å²	31.2	23%	0.225	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-43.3	172	51.2	-13.9	0	0	0	111.9	R60 H427 V431 R432 S433	R60-D429 IonicContact CZ-OD2 3.56Å; R60-D429 VanDerWaalsContact CZ-OD2 3.29Å; R60-D429 IonicContact NE-OD1 3.28Å; R60-D429 IonicContact NE-OD2 3.36Å; R60-D429 PolarHBondContact NE-OD2 3.49Å; R60-D429 IonicContact NH2-OD2 2.97Å; R60-D429 PolarHBondContact NH2-OD2 3.1Å; H427-D429 WeakPolarHBondContact CB-OD1 3.34Å; H427-D429 PolarHBondContact O-N 3.24Å; D429-V431 VanDerWaalsContact C-N 3.31Å; D429-V431 PolarHBondContact O-N 2.93Å; D429-R432 WeakPolarHBondContact O-CB 3.45Å; D429-R432 PolarHBondContact O-N 3.3Å; D429-R432 VanDerWaalsContact O-N 3.14Å; D429-S433 PolarHBondContact O-N 3.27Å
430	E	90.1	Very high	89.3	Confident	16 Å²	16	30.9 Å²	30.9	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-40.4	173.7	-59.2	174.7	157	0	0	111.6	R63 M235 R238 F426 H427 R432 S433 L434	R63-E430 IonicContact CZ-OE1 2.69Å; R63-E430 IonicContact CZ-OE2 3.8Å; R63-E430 VanDerWaalsContact NH1-CD 3.26Å; R63-E430 IonicContact NH1-OE1 2.71Å; R63-E430 PolarHBondContact NH1-OE1 2.87Å; R63-E430 IonicContact NH1-OE2 3.48Å; R63-E430 PolarHBondContact NH1-OE2 3.28Å; M235-E430 HydrophobicContact CE-CB 3.93Å; M235-E430 VanDerWaalsContact CE-O 3.26Å; M235-E430 WeakPolarHBondContact CE-O 3.21Å; M235-E430 HydrophobicContact SD-CB 3.75Å; M235-E430 HydrophobicContact SD-CG 3.94Å; R238-E430 IonicContact CZ-OE1 3.64Å; R238-E430 IonicContact CZ-OE2 3.57Å; R238-E430 IonicContact NH1-OE1 2.73Å; R238-E430 PolarHBondContact NH1-OE1 3.21Å; R238-E430 IonicContact NH1-OE2 3.13Å; R238-E430 PolarHBondContact NH1-OE2 2.91Å; R238-E430 IonicContact NH2-OE1 2.94Å; R238-E430 IonicContact NH2-OE2 3.55Å; R238-E430 PolarHBondContact NH2-OE2 3.26Å; F426-E430 VanDerWaalsContact CA-OE2 3.26Å; F426-E430 WeakPolarHBondContact CA-OE2 3.28Å; F426-E430 HydrophobicContact CB-CB 4.37Å; F426-E430 HydrophobicContact CD1-CB 4.1Å; H427-E430 HydrophobicContact CB-CG 4.11Å; H427-E430 PolarHBondContact N-OE2 3.2Å; H427-E430 WeakPolarHBondContact O-CB 3.34Å; H427-E430 PolarHBondContact O-N 2.96Å; E430-R432 VanDerWaalsContact C-N 3.32Å; E430-R432 PolarHBondContact O-N 2.71Å; E430-S433 WeakPolarHBondContact O-CB 3.23Å; E430-S433 PolarHBondContact O-N 3.11Å; E430-L434 WeakPolarHBondContact O-CB 3.29Å; E430-L434 PolarHBondContact O-N 2.8Å
431	V	90.6	Very high	89.1	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-40.3	174.2	170.1	0	0	0	0	111.3	V263 V267 L381 L423 F426 H427 D429 L434 G435	V263-V431 HydrophobicContact CG1-CG1 4.17Å; V267-V431 HydrophobicContact CB-CG1 3.89Å; V267-V431 HydrophobicContact CG1-CG1 4Å; V267-V431 HydrophobicContact CG2-CG1 3.86Å; L381-V431 HydrophobicContact CD2-CG2 3.68Å; L423-V431 HydrophobicContact CB-CG2 4.49Å; L423-V431 HydrophobicContact CD1-CG1 4.15Å; L423-V431 HydrophobicContact CD1-CG2 4.15Å; L423-V431 HydrophobicContact CD2-CG2 4.42Å; F426-V431 HydrophobicContact CB-CG2 3.71Å; H427-V431 VanDerWaalsContact O-CG2 3.31Å; H427-V431 WeakPolarHBondContact O-CG2 3.05Å; H427-V431 PolarHBondContact O-N 3.33Å; D429-V431 VanDerWaalsContact C-N 3.31Å; D429-V431 PolarHBondContact O-N 2.93Å; V431-L434 PolarHBondContact O-N 3.09Å; V431-G435 PolarHBondContact O-N 3.33Å
432	R	90.1	Very high	88.8	Confident	47 Å²	47	36.2 Å²	36.2	18%	0.177	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-42.9	174.8	-72.1	-175.2	-177	111.3	-10.5	111.8	V263 K428 D429 E430 G435 R436 L445	V263-R432 HydrophobicContact CG1-CG 4.02Å; K428-R432 PolarHBondContact O-N 3.05Å; D429-R432 WeakPolarHBondContact O-CB 3.45Å; D429-R432 PolarHBondContact O-N 3.3Å; D429-R432 VanDerWaalsContact O-N 3.14Å; E430-R432 VanDerWaalsContact C-N 3.32Å; E430-R432 PolarHBondContact O-N 2.71Å; R432-G435 PolarHBondContact O-N 3.15Å; R432-R436 PolarHBondContact O-N 3.32Å; R432-L445 PolarHBondContact NE-O 3.22Å; R432-L445 VanDerWaalsContact NE-O 3.13Å
433	S	89.9	Confident	88.4	Confident	41 Å²	41	39.8 Å²	39.8	29%	0.287	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-50.3	175.1	-165.7	0	0	0	0	110.8	D429 E430 G435 R436 D437	D429-S433 PolarHBondContact O-N 3.27Å; E430-S433 WeakPolarHBondContact O-CB 3.23Å; E430-S433 PolarHBondContact O-N 3.11Å; S433-G435 PolarHBondContact O-N 2.83Å; S433-R436 WeakPolarHBondContact O-CB 3.45Å; S433-R436 PolarHBondContact O-N 3Å; S433-D437 PolarHBondContact O-N 3.2Å
434	L	91.7	Very high	87.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-38.7	176.1	-175	65.6	0	0	0	111.7	M235 M239 V267 L271 L423 F426 E430 V431 D437 L438	M235-L434 HydrophobicContact CE-CB 4.02Å; M239-L434 HydrophobicContact CB-CD1 3.81Å; M239-L434 HydrophobicContact CE-CD1 4.3Å; M239-L434 HydrophobicContact CG-CD1 3.59Å; M239-L434 HydrophobicContact SD-CD1 3.5Å; M239-L434 VanDerWaalsContact SD-CD1 3.5Å; V267-L434 HydrophobicContact CG1-CB 4.29Å; V267-L434 HydrophobicContact CG1-CD2 3.87Å; V267-L434 HydrophobicContact CG1-CG 4.06Å; L271-L434 HydrophobicContact CD1-CD1 4.46Å; L271-L434 HydrophobicContact CD1-CD2 4.34Å; L271-L434 HydrophobicContact CD2-CD2 4.18Å; L423-L434 HydrophobicContact CD2-CD2 4.05Å; F426-L434 HydrophobicContact CE1-CD2 4.4Å; E430-L434 WeakPolarHBondContact O-CB 3.29Å; E430-L434 PolarHBondContact O-N 2.8Å; V431-L434 PolarHBondContact O-N 3.09Å; L434-D437 PolarHBondContact O-N 3.47Å; L434-L438 HydrophobicContact CD1-CD1 4.47Å; L434-L438 HydrophobicContact CG-CD1 3.98Å; L434-L438 WeakPolarHBondContact O-CB 3.41Å; L434-L438 WeakPolarHBondContact O-CD1 3.2Å; L434-L438 WeakPolarHBondContact O-CG 3.31Å; L434-L438 PolarHBondContact O-N 3.17Å
435	G	91.6	Very high	87.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-44.2	173.6	0	0	0	0	0	113.1	V431 R432 S433 L438 G439 L440	V431-G435 PolarHBondContact O-N 3.33Å; R432-G435 PolarHBondContact O-N 3.15Å; S433-G435 PolarHBondContact O-N 2.83Å; G435-L438 PolarHBondContact O-N 2.74Å; G435-G439 PolarHBondContact O-N 3.42Å; G435-L440 WeakPolarHBondContact O-CB 3.06Å; G435-L440 WeakPolarHBondContact O-CD1 3.35Å; G435-L440 PolarHBondContact O-N 2.89Å
436	R	91.6	Very high	87.4	Confident	123 Å²	123	38.9 Å²	38.9	46%	0.464	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-43.2	175.6	-64.2	-169.9	-169.2	105.7	2.2	111.5	R432 S433 L438 G439 D442 L445 D446	R432-R436 PolarHBondContact O-N 3.32Å; S433-R436 WeakPolarHBondContact O-CB 3.45Å; S433-R436 PolarHBondContact O-N 3Å; R436-L438 PolarHBondContact O-N 2.77Å; R436-G439 WeakPolarHBondContact O-CA 3.49Å; R436-G439 PolarHBondContact O-N 2.92Å; R436-D442 IonicContact NE-OD1 3.92Å; R436-D442 PolarHBondContact NE-OD1 3.38Å; R436-L445 HydrophobicContact CB-CD1 4.25Å; R436-L445 HydrophobicContact CG-CD1 3.32Å; R436-D446 IonicContact NH2-OD1 3.85Å
437	D	89.9	Confident	87	Confident	89 Å²	89	41.9 Å²	41.9	48%	0.476	23%	0.232	S	C	.	.	H	α-helix	trans	-65	-30.2	178.8	-59.7	-24.7	0	0	0	112.1	S433 L434 G439	S433-D437 PolarHBondContact O-N 3.2Å; L434-D437 PolarHBondContact O-N 3.47Å; D437-G439 VanDerWaalsContact C-N 3.25Å; D437-G439 PolarHBondContact O-N 3.45Å
438	L	89.4	Confident	86.8	Confident	29 Å²	29	42.3 Å²	42.3	15%	0.152	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.5	172	-72.9	168.5	0	0	0	113.6	M239 V267 A270 L271 R274 L434 G435 R436 L440	M239-L438 HydrophobicContact CE-CD2 3.4Å; M239-L438 VanDerWaalsContact CE-CD2 3.4Å; M239-L438 HydrophobicContact CE-CG 3.94Å; V267-L438 HydrophobicContact CG1-CD1 4.13Å; A270-L438 HydrophobicContact CB-CB 4.42Å; A270-L438 HydrophobicContact CB-CD1 4.1Å; L271-L438 HydrophobicContact CB-CD1 4.05Å; L271-L438 HydrophobicContact CD1-CD1 4.22Å; L271-L438 HydrophobicContact CD1-CD2 4.47Å; R274-L438 HydrophobicContact CB-CD2 4.14Å; R274-L438 HydrophobicContact CG-CD2 4.47Å; L434-L438 HydrophobicContact CD1-CD1 4.47Å; L434-L438 HydrophobicContact CG-CD1 3.98Å; L434-L438 WeakPolarHBondContact O-CB 3.41Å; L434-L438 WeakPolarHBondContact O-CD1 3.2Å; L434-L438 WeakPolarHBondContact O-CG 3.31Å; L434-L438 PolarHBondContact O-N 3.17Å; G435-L438 PolarHBondContact O-N 2.74Å; R436-L438 PolarHBondContact O-N 2.77Å; L438-L440 HydrophobicContact CB-CD1 3.66Å
439	G	86.8	Confident	86.6	Confident	55 Å²	55	42 Å²	42	57%	0.567	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	18.5	178.2	0	0	0	0	0	115	G435 R436 D437	G435-G439 PolarHBondContact O-N 3.42Å; R436-G439 WeakPolarHBondContact O-CA 3.49Å; R436-G439 PolarHBondContact O-N 2.92Å; D437-G439 VanDerWaalsContact C-N 3.25Å; D437-G439 PolarHBondContact O-N 3.45Å
440	L	88.8	Confident	86.7	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.042	24%	0.236	C	C	.	.			trans	-71.6	138.2	174.1	-76.9	74.5	0	0	0	110.2	V267 A270 C306 G435 L438 I444 L445	V267-L440 HydrophobicContact CG2-CD2 3.99Å; A270-L440 HydrophobicContact CB-CD1 3.62Å; C306-L440 HydrophobicContact CB-CG 4.32Å; G435-L440 WeakPolarHBondContact O-CB 3.06Å; G435-L440 WeakPolarHBondContact O-CD1 3.35Å; G435-L440 PolarHBondContact O-N 2.89Å; L438-L440 HydrophobicContact CB-CD1 3.66Å; L440-I444 HydrophobicContact CD2-CG2 4.37Å; L440-L445 HydrophobicContact CB-CD1 4.21Å; L440-L445 HydrophobicContact CB-CD2 3.95Å; L440-L445 HydrophobicContact CB-CG 4.1Å; L440-L445 HydrophobicContact CD2-CD2 4.15Å; L440-L445 WeakPolarHBondContact O-CD1 3.42Å
441	P	86.5	Confident	86	Confident	47 Å²	47	43 Å²	43	31%	0.305	24%	0.243	S	C	.	.			trans	-72.2	149.5	179.5	30.2	-34.5	0	0	0	111.2	C306 A443 I444 L445	C306-P441 WeakPolarHBondContact SG-CD 3.46Å; P441-A443 PolarHBondContact O-N 2.69Å; P441-I444 HydrophobicContact CG-CD1 4.09Å; P441-I444 HydrophobicContact CG-CG1 4.1Å; P441-I444 PolarHBondContact O-N 2.96Å; P441-L445 PolarHBondContact O-N 2.72Å
442	D	85	Confident	85.3	Confident	89 Å²	89	44.7 Å²	44.7	48%	0.476	26%	0.26	S	S	.	.	H	α-helix	trans	-56.9	-26.6	177.6	-69.5	-35.6	0	0	0	112.6	R436 I444 L445 D446	R436-D442 IonicContact NE-OD1 3.92Å; R436-D442 PolarHBondContact NE-OD1 3.38Å; D442-I444 PolarHBondContact O-N 2.63Å; D442-L445 PolarHBondContact O-N 2.88Å; D442-L445 VanDerWaalsContact O-N 3.15Å; D442-D446 WeakPolarHBondContact O-CB 3.34Å; D442-D446 PolarHBondContact O-N 2.76Å
443	A	81.4	Confident	85	Confident	76 Å²	76	42.5 Å²	42.5	63%	0.628	25%	0.252	S	S	*	.	H	α-helix	trans	-57.4	-30.6	174	0	0	0	0	0	113.6	P441	P441-A443 PolarHBondContact O-N 2.69Å
444	I	82.6	Confident	85	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.036	24%	0.238	C	C	.	.	H	α-helix	trans	-85.4	-46.1	171.6	-60.6	176.7	0	0	0	110.2	V263 L303 L440 P441 D442 R447	V263-I444 WeakPolarHBondContact CG2-O 3.36Å; L303-I444 HydrophobicContact CD2-CD1 4.45Å; L440-I444 HydrophobicContact CD2-CG2 4.37Å; P441-I444 HydrophobicContact CG-CD1 4.09Å; P441-I444 HydrophobicContact CG-CG1 4.1Å; P441-I444 PolarHBondContact O-N 2.96Å; D442-I444 PolarHBondContact O-N 2.63Å; I444-R447 WeakPolarHBondContact O-CB 3.47Å; I444-R447 PolarHBondContact O-N 3.06Å
445	L	85.8	Confident	85.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.7	-35.4	-168.6	-59.2	177.4	0	0	0	113.9	V263 V267 R432 R436 L440 P441 D442 R447	V263-L445 HydrophobicContact CG1-CD2 4.14Å; V263-L445 WeakPolarHBondContact CG2-O 3.48Å; V267-L445 HydrophobicContact CG2-CD2 4.13Å; R432-L445 PolarHBondContact NE-O 3.22Å; R432-L445 VanDerWaalsContact NE-O 3.13Å; R436-L445 HydrophobicContact CB-CD1 4.25Å; R436-L445 HydrophobicContact CG-CD1 3.32Å; L440-L445 HydrophobicContact CB-CD1 4.21Å; L440-L445 HydrophobicContact CB-CD2 3.95Å; L440-L445 HydrophobicContact CB-CG 4.1Å; L440-L445 HydrophobicContact CD2-CD2 4.15Å; L440-L445 WeakPolarHBondContact O-CD1 3.42Å; P441-L445 PolarHBondContact O-N 2.72Å; D442-L445 PolarHBondContact O-N 2.88Å; D442-L445 VanDerWaalsContact O-N 3.15Å; L445-R447 VanDerWaalsContact C-N 3.32Å
446	D	81.9	Confident	85.3	Confident	92 Å²	92	40.6 Å²	40.6	49%	0.492	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.7	178.7	-64	-22.8	0	0	0	112.2	R436 D442 H448	R436-D446 IonicContact NH2-OD1 3.85Å; D442-D446 WeakPolarHBondContact O-CB 3.34Å; D442-D446 PolarHBondContact O-N 2.76Å; D446-H448 PolarHBondContact O-N 3.21Å
447	R	80.6	Confident	85.3	Confident	65 Å²	65	36.2 Å²	36.2	25%	0.245	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.9	135.4	-179.9	-162.3	171.3	-171.7	-136.2	-6.9	111.1	G261 E295 I444 L445	G261-R447 PolarHBondContact O-NH1 2.76Å; G261-R447 VanDerWaalsContact O-NH1 3.1Å; E295-R447 IonicContact OE1-CZ 2.78Å; E295-R447 IonicContact OE1-NH1 3.35Å; E295-R447 PolarHBondContact OE1-NH1 2.94Å; E295-R447 IonicContact OE1-NH2 2.6Å; E295-R447 PolarHBondContact OE1-NH2 2.9Å; I444-R447 WeakPolarHBondContact O-CB 3.47Å; I444-R447 PolarHBondContact O-N 3.06Å; L445-R447 VanDerWaalsContact C-N 3.32Å
448	H	82.7	Confident	85.5	Confident	17 Å²	17	33.8 Å²	33.8	8%	0.079	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-64.4	128.1	174.5	-75	-168.9	0	0	0	110.4	R292 D446 R619 I622 S623 Q624 M625	R292-H448 PolarHBondContact NH2-O 3.41Å; R292-H448 VanDerWaalsContact NH2-O 3.09Å; D446-H448 PolarHBondContact O-N 3.21Å; H448-R619 PolarHBondContact NE2-O 2.68Å; H448-R619 VanDerWaalsContact NE2-O 3.16Å; H448-I622 PolarHBondContact NE2-O 2.86Å; H448-I622 VanDerWaalsContact NE2-O 3.13Å; H448-S623 PolarHBondContact CD2-O 3.02Å; H448-Q624 HydrophobicContact CB-CG 4.31Å; H448-M625 PolarHBondContact ND1-N 2.84Å
449	P	79.3	Confident	85.8	Confident	39 Å²	39	32.4 Å²	32.4	25%	0.253	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-53.3	143.8	-179.7	-28.2	34.8	0	0	0	112.9	R292 Q624 F660	R292-P449 PolarHBondContact NH2-O 3.2Å; P449-Q624 PolarHBondContact O-NE2 3.47Å; P449-F660 HydrophobicContact CG-CD1 4.33Å; P449-F660 HydrophobicContact CG-CE1 3.65Å; P449-F660 HydrophobicContact CG-CZ 3.93Å
450	F	83.5	Confident	86.3	Confident	44 Å²	44	30.7 Å²	30.7	19%	0.193	18%	0.18	C	C	.	.			trans	-124.8	133.7	172.1	-160.7	-122	0	0	0	109.1	R292 L455	R292-F450 HydrophobicContact CG-CD1 4.35Å; R292-F450 HydrophobicContact CG-CD2 4.06Å; R292-F450 HydrophobicContact CG-CE1 3.98Å; R292-F450 HydrophobicContact CG-CE2 3.68Å; R292-F450 HydrophobicContact CG-CG 4.39Å; R292-F450 HydrophobicContact CG-CZ 3.64Å; F450-L455 HydrophobicContact CZ-CD2 4.07Å; F450-L455 HydrophobicContact CZ-CG 4.09Å
451	P	76.5	Confident	86.6	Confident	34 Å²	34	30.5 Å²	30.5	22%	0.221	18%	0.179	C	C	.	.			trans	-64.3	145.3	-179.2	28	-34.7	0	0	0	110.6	G454 V457	P451-G454 VanDerWaalsContact O-CA 3.27Å; P451-G454 WeakPolarHBondContact O-CA 3.27Å; P451-G454 PolarHBondContact O-N 3.37Å; P451-V457 HydrophobicContact CB-CG2 4.34Å; P451-V457 HydrophobicContact CG-CG2 4.19Å
452	G	75.4	Confident	87	Confident	36 Å²	36	30.1 Å²	30.1	37%	0.371	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-44.2	179.2	0	0	0	0	0	114.7	G454	G452-G454 PolarHBondContact O-N 3.19Å; G452-G454 VanDerWaalsContact O-N 3.11Å
453	P	83.2	Confident	87.4	Confident	1 Å²	1	30 Å²	30	1%	0.006	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.2	172	-23.6	33.3	0	0	0	115.3	R349 I352 H404 A456 V457	R349-P453 HydrophobicContact CG-CG 4.02Å; I352-P453 HydrophobicContact CD1-CB 3.7Å; H404-P453 WeakPolarHBondContact CE1-CD 3.5Å; H404-P453 WeakPolarHBondContact CE1-CG 3.28Å; H404-P453 WeakPolarHBondContact ND1-CG 3.31Å; H404-P453 WeakPolarHBondContact NE2-CD 3.34Å; P453-A456 WeakPolarHBondContact O-CB 3.26Å; P453-A456 PolarHBondContact O-N 3.38Å; P453-V457 HydrophobicContact CB-CB 4.4Å; P453-V457 HydrophobicContact CB-CG1 3.64Å; P453-V457 HydrophobicContact CB-CG2 3.94Å; P453-V457 HydrophobicContact CG-CG1 4.09Å; P453-V457 HydrophobicContact CG-CG2 4.44Å
454	G	90.4	Very high	87.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-135.8	179.7	0	0	0	0	0	113.8	F290 P451 G452 A456 V457	F290-G454 CarbonylContact O-C 3.59Å; F290-G454 WeakPolarHBondContact O-CA 3.39Å; P451-G454 VanDerWaalsContact O-CA 3.27Å; P451-G454 WeakPolarHBondContact O-CA 3.27Å; P451-G454 PolarHBondContact O-N 3.37Å; G452-G454 PolarHBondContact O-N 3.19Å; G452-G454 VanDerWaalsContact O-N 3.11Å; G454-A456 PolarHBondContact O-N 2.73Å; G454-V457 WeakPolarHBondContact O-CG2 3.15Å
455	L	95	Very high	88.4	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-23.1	-178.3	-65.7	174.5	0	0	0	113.2	F290 L291 F450 V457 R458 I459 I599 R603 D606	F290-L455 HydrophobicContact CB-CB 4.38Å; F290-L455 WeakPolarHBondContact O-CB 3.44Å; F290-L455 WeakPolarHBondContact O-CG 3.05Å; F290-L455 PolarHBondContact O-N 2.93Å; L291-L455 WeakPolarHBondContact O-CD1 3.47Å; F450-L455 HydrophobicContact CZ-CD2 4.07Å; F450-L455 HydrophobicContact CZ-CG 4.09Å; L455-V457 PolarHBondContact O-N 2.69Å; L455-V457 VanDerWaalsContact O-N 3.15Å; L455-R458 HydrophobicContact CD2-CB 4.43Å; L455-R458 CarbonylContact O-C 3.58Å; L455-R458 WeakPolarHBondContact O-CA 3.44Å; L455-R458 PolarHBondContact O-N 2.67Å; L455-I459 HydrophobicContact CB-CD1 4.22Å; L455-I459 WeakPolarHBondContact O-CD1 3.17Å; L455-I459 VanDerWaalsContact O-CG1 3.32Å; L455-I459 WeakPolarHBondContact O-CG1 3.37Å; L455-I459 PolarHBondContact O-N 2.92Å; L455-I599 HydrophobicContact CD1-CG2 4.47Å; L455-R603 HydrophobicContact CD1-CB 3.58Å; L455-R603 HydrophobicContact CD1-CG 3.91Å; L455-D606 HydrophobicContact CD2-CB 4.49Å
456	A	94.5	Very high	88.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.7	-35.1	-177.4	0	0	0	0	0	113	F290 K348 I352 P453 G454 L594	F290-A456 HydrophobicContact CB-CB 4.4Å; F290-A456 HydrophobicContact CD1-CB 3.78Å; F290-A456 HydrophobicContact CD2-CB 4.44Å; F290-A456 HydrophobicContact CE1-CB 4.11Å; F290-A456 HydrophobicContact CG-CB 3.95Å; K348-A456 WeakPolarHBondContact CD-O 3.33Å; K348-A456 PolarHBondContact NZ-O 3.2Å; I352-A456 HydrophobicContact CD1-CB 3.63Å; P453-A456 WeakPolarHBondContact O-CB 3.26Å; P453-A456 PolarHBondContact O-N 3.38Å; G454-A456 PolarHBondContact O-N 2.73Å; A456-L594 HydrophobicContact CB-CD1 3.87Å
457	V	91.4	Very high	89.4	Confident	30 Å²	30	36.7 Å²	36.7	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-95.1	-11.4	176	-61.9	0	0	0	0	113.4	R349 P451 P453 G454 L455	R349-V457 HydrophobicContact CG-CG1 3.9Å; P451-V457 HydrophobicContact CB-CG2 4.34Å; P451-V457 HydrophobicContact CG-CG2 4.19Å; P453-V457 HydrophobicContact CB-CB 4.4Å; P453-V457 HydrophobicContact CB-CG1 3.64Å; P453-V457 HydrophobicContact CB-CG2 3.94Å; P453-V457 HydrophobicContact CG-CG1 4.09Å; P453-V457 HydrophobicContact CG-CG2 4.44Å; G454-V457 WeakPolarHBondContact O-CG2 3.15Å; L455-V457 PolarHBondContact O-N 2.69Å; L455-V457 VanDerWaalsContact O-N 3.15Å
458	R	94.1	Very high	90.1	Very high	38 Å²	38	35.2 Å²	35.2	14%	0.143	19%	0.189	C	C	.	.	H	α-helix	trans	-84.7	-16	171.2	-62.4	-63.6	-167	-175.6	5.8	112.4	L455 V627 V628 L629	L455-R458 HydrophobicContact CD2-CB 4.43Å; L455-R458 CarbonylContact O-C 3.58Å; L455-R458 WeakPolarHBondContact O-CA 3.44Å; L455-R458 PolarHBondContact O-N 2.67Å; R458-V627 WeakPolarHBondContact CB-O 3.24Å; R458-V627 WeakPolarHBondContact CD-O 2.9Å; R458-V628 CarbonylContact O-C 3.56Å; R458-V628 VanDerWaalsContact O-CA 3.27Å; R458-V628 WeakPolarHBondContact O-CA 3.29Å; R458-V628 VanDerWaalsContact O-CG1 3.23Å; R458-V628 WeakPolarHBondContact O-CG1 3.35Å; R458-L629 PolarHBondContact O-N 2.84Å
459	I	97.3	Very high	90.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-95.6	109.6	171.9	-62.3	159.4	0	0	0	107.2	K348 L455 C461 T592 L594 V598 I599 A602 L629	K348-I459 PolarHBondContact NZ-O 3.07Å; L455-I459 HydrophobicContact CB-CD1 4.22Å; L455-I459 WeakPolarHBondContact O-CD1 3.17Å; L455-I459 VanDerWaalsContact O-CG1 3.32Å; L455-I459 WeakPolarHBondContact O-CG1 3.37Å; L455-I459 PolarHBondContact O-N 2.92Å; I459-C461 PolarHBondContact O-N 3.23Å; I459-T592 HydrophobicContact CG2-CG2 4.11Å; I459-L594 HydrophobicContact CB-CD2 3.71Å; I459-L594 HydrophobicContact CD1-CD2 3.64Å; I459-L594 HydrophobicContact CG1-CD2 4.29Å; I459-L594 HydrophobicContact CG2-CD2 3.8Å; I459-V598 HydrophobicContact CD1-CG1 4.36Å; I459-V598 HydrophobicContact CG2-CG1 3.61Å; I459-I599 HydrophobicContact CD1-CB 4.42Å; I459-I599 HydrophobicContact CD1-CG1 4.04Å; I459-A602 HydrophobicContact CD1-CB 3.81Å; I459-A602 HydrophobicContact CG1-CB 3.63Å; I459-L629 HydrophobicContact CG1-CB 4.36Å; I459-L629 HydrophobicContact CG2-CD2 4.3Å
460	I	96.3	Very high	91	Very high	18 Å²	18	44.9 Å²	44.9	9%	0.092	24%	0.235	C	C	.	.			trans	-73.8	110.6	172.1	-60.4	-170.5	0	0	0	107.2	I527 V628 L629 L630 P631	I460-I527 HydrophobicContact CD1-CD1 4.44Å; I460-V628 HydrophobicContact CD1-CG1 4.18Å; I460-V628 HydrophobicContact CG1-CG1 4.03Å; I460-L629 PolarHBondContact N-O 3.2Å; I460-L630 HydrophobicContact CD1-CD2 3.51Å; I460-L630 HydrophobicContact CG1-CD2 4.2Å; I460-P631 HydrophobicContact CG2-CG 4.12Å; I460-P631 WeakPolarHBondContact O-CD 3.35Å
461	C	95.9	Very high	91.5	Very high	4 Å²	4	43 Å²	43	3%	0.027	23%	0.226	C	C	.	.			trans	-96.1	136.3	178.1	-70.2	0	0	0	0	109.6	V343 K348 I459 T592	V343-C461 HydrophobicContact CB-CB 4.27Å; V343-C461 HydrophobicContact CG1-CB 4.1Å; K348-C461 PolarHBondContact NZ-SG 2.9Å; I459-C461 PolarHBondContact O-N 3.23Å; C461-T592 CarbonylContact C-O 3.37Å; C461-T592 VanDerWaalsContact CA-O 3.25Å; C461-T592 WeakPolarHBondContact CA-O 3.42Å; C461-T592 WeakPolarHBondContact CB-O 3.45Å
462	R	94.3	Very high	92.2	Very high	39 Å²	39	48.1 Å²	48.1	15%	0.147	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-163.6	140.8	179.4	-160.4	172	-167.9	111.1	16.3	109.9	E464 I589 P591 T592 P631	R462-E464 WeakPolarHBondContact CD-O 3.32Å; R462-E464 WeakPolarHBondContact CG-O 3.49Å; R462-E464 PolarHBondContact NE-O 2.78Å; R462-I589 HydrophobicContact CB-CD1 3.59Å; R462-I589 HydrophobicContact CG-CD1 3.57Å; R462-P591 CarbonylContact O-C 3.3Å; R462-P591 WeakPolarHBondContact O-CA 3.45Å; R462-T592 PolarHBondContact N-O 3.3Å; R462-T592 PolarHBondContact O-N 3.11Å; R462-P631 HydrophobicContact CB-CG 4.3Å
463	I	92.3	Very high	93	Very high	86 Å²	86	51.2 Å²	51.2	44%	0.441	26%	0.256	S	S	.	.	S	Bend	trans	-101.9	-30.2	-179.8	55.3	173	0	0	0	113.3	V343 F593	V343-I463 HydrophobicContact CG1-CG2 4.46Å; I463-F593 HydrophobicContact CG2-CD1 4.49Å; I463-F593 HydrophobicContact CG2-CE1 3.63Å; I463-F593 HydrophobicContact CG2-CE2 3.66Å; I463-F593 HydrophobicContact CG2-CZ 3.17Å
464	E	92.9	Very high	93.5	Very high	138 Å²	138	51.7 Å²	51.7	65%	0.645	26%	0.258	S	S	*	.	S	Bend	trans	-132.8	147.4	179.8	-68.5	179.3	-178.4	0	0	111.4	R462 I589	R462-E464 WeakPolarHBondContact CD-O 3.32Å; R462-E464 WeakPolarHBondContact CG-O 3.49Å; R462-E464 PolarHBondContact NE-O 2.78Å; E464-I589 VanDerWaalsContact C-CD1 3.42Å; E464-I589 WeakPolarHBondContact O-CD1 3.49Å
465	P	93.3	Very high	93.6	Very high	47 Å²	47	52.3 Å²	52.3	31%	0.305	26%	0.261	S	S	.	.			trans	-57.3	139.2	177.8	-21.6	33.2	0	0	0	112.4	I467 P526 I589	P465-I467 HydrophobicContact CB-CD1 3.91Å; P465-I467 HydrophobicContact CB-CG1 4.01Å; P465-I467 PolarHBondContact O-N 3.1Å; P465-P526 HydrophobicContact CB-CB 3.92Å; P465-P526 HydrophobicContact CB-CG 4.4Å; P465-I589 HydrophobicContact CB-CG2 4.16Å; P465-I589 HydrophobicContact CG-CG1 4.1Å; P465-I589 HydrophobicContact CG-CG2 4.28Å
466	F	94.8	Very high	93.4	Very high	51 Å²	51	55.1 Å²	55.1	22%	0.224	28%	0.281	C	S	.	.			trans	-81.4	99.2	170.4	-160.2	-131.2	0	0	0	111.1	P468 F471 P526 Q528 F541	F466-P468 HydrophobicContact CD1-CG 4.23Å; F466-P468 HydrophobicContact CE1-CG 3.72Å; F466-P468 HydrophobicContact CE2-CG 4.33Å; F466-P468 HydrophobicContact CZ-CB 4.28Å; F466-P468 HydrophobicContact CZ-CG 3.8Å; F466-F471 WeakPolarHBondContact O-CD2 3.45Å; F466-P526 PolarHBondContact N-O 3.19Å; F466-P526 WeakPolarHBondContact O-CA 3.5Å; F466-Q528 VanDerWaalsContact CD1-CD 3.42Å; F466-Q528 HydrophobicContact CD1-CG 3.4Å; F466-Q528 VanDerWaalsContact CD1-CG 3.4Å; F466-Q528 HydrophobicContact CE1-CG 3.53Å; F466-Q528 HydrophobicContact CG-CG 4.19Å; F466-Q528 VanDerWaalsContact CZ-CD 3.48Å; F466-Q528 HydrophobicContact CZ-CG 4.36Å; F466-F541 HydrophobicContact CB-CE1 4.48Å; F466-F541 HydrophobicContact CD1-CD1 4.04Å; F466-F541 AromaticContact CD1-CE1 3.27Å; F466-F541 HydrophobicContact CD1-CE1 3.27Å; F466-F541 HydrophobicContact CD1-CE2 4.46Å; F466-F541 AromaticContact CD1-CZ 3.53Å; F466-F541 HydrophobicContact CD1-CZ 3.53Å; F466-F541 AromaticContact CE1-CE1 3.77Å; F466-F541 HydrophobicContact CE1-CE1 3.77Å; F466-F541 HydrophobicContact CE1-CE2 4.14Å; F466-F541 AromaticContact CE1-CZ 3.54Å; F466-F541 HydrophobicContact CE1-CZ 3.54Å; F466-F541 HydrophobicContact CG-CE1 4.28Å
467	I	93.8	Very high	93.1	Very high	80 Å²	80	57.3 Å²	57.3	41%	0.41	29%	0.294	S	S	.	.			trans	-131.1	71.8	178.4	-52.7	177.4	0	0	0	108.4	P465 F471 P526 L587	P465-I467 HydrophobicContact CB-CD1 3.91Å; P465-I467 HydrophobicContact CB-CG1 4.01Å; P465-I467 PolarHBondContact O-N 3.1Å; I467-F471 HydrophobicContact CB-CG 4.47Å; I467-F471 HydrophobicContact CG2-CB 3.89Å; I467-F471 HydrophobicContact CG2-CD1 3.92Å; I467-F471 HydrophobicContact CG2-CG 3.89Å; I467-P526 HydrophobicContact CD1-CB 4.5Å; I467-P526 HydrophobicContact CG1-CB 4.05Å; I467-L587 HydrophobicContact CD1-CB 4.41Å; I467-L587 HydrophobicContact CD1-CD2 4.39Å; I467-L587 WeakPolarHBondContact CD1-O 3.45Å
468	P	94.2	Very high	93.1	Very high	34 Å²	34	55.9 Å²	55.9	22%	0.221	29%	0.285	C	S	.	.			trans	-67.4	169.3	168.9	33.7	-38.5	0	0	0	110.5	F466 Q470 F471 F541	F466-P468 HydrophobicContact CD1-CG 4.23Å; F466-P468 HydrophobicContact CE1-CG 3.72Å; F466-P468 HydrophobicContact CE2-CG 4.33Å; F466-P468 HydrophobicContact CZ-CB 4.28Å; F466-P468 HydrophobicContact CZ-CG 3.8Å; P468-Q470 PolarHBondContact O-N 2.99Å; P468-Q470 VanDerWaalsContact O-N 3.15Å; P468-F471 WeakPolarHBondContact O-CB 3.35Å; P468-F471 PolarHBondContact O-N 3.03Å; P468-F541 HydrophobicContact CG-CE2 4.14Å; P468-F541 HydrophobicContact CG-CZ 3.49Å; P468-F541 VanDerWaalsContact CG-CZ 3.49Å
469	I	91.1	Very high	92.8	Very high	153 Å²	153	58.8 Å²	58.8	79%	0.785	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-41.7	-176.9	-61.6	170	0	0	0	111.6	F471	I469-F471 PolarHBondContact O-N 2.78Å; I469-F471 VanDerWaalsContact O-N 3.15Å
470	Q	90.3	Very high	92.3	Very high	107 Å²	107	63.2 Å²	63.2	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-71.8	-5.9	-178.1	-54.3	85.8	-5.6	0	0	114.1	P468 Q472 D473 T474	P468-Q470 PolarHBondContact O-N 2.99Å; P468-Q470 VanDerWaalsContact O-N 3.15Å; Q470-Q472 PolarHBondContact O-N 3.4Å; Q470-D473 PolarHBondContact O-N 3.21Å; Q470-T474 WeakPolarHBondContact O-CB 3.14Å; Q470-T474 PolarHBondContact O-N 3.18Å; Q470-T474 PolarHBondContact O-OG1 2.9Å
471	F	93.9	Very high	91.8	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-47.1	-177.1	-175.3	-88.3	0	0	0	111.7	F466 I467 P468 I469 T474 Q475 L524 P526 F541 L587	F466-F471 WeakPolarHBondContact O-CD2 3.45Å; I467-F471 HydrophobicContact CB-CG 4.47Å; I467-F471 HydrophobicContact CG2-CB 3.89Å; I467-F471 HydrophobicContact CG2-CD1 3.92Å; I467-F471 HydrophobicContact CG2-CG 3.89Å; P468-F471 WeakPolarHBondContact O-CB 3.35Å; P468-F471 PolarHBondContact O-N 3.03Å; I469-F471 PolarHBondContact O-N 2.78Å; I469-F471 VanDerWaalsContact O-N 3.15Å; F471-T474 PolarHBondContact O-N 3.15Å; F471-Q475 VanDerWaalsContact O-CB 3.31Å; F471-Q475 WeakPolarHBondContact O-CB 3.49Å; F471-Q475 PolarHBondContact O-N 3.48Å; F471-L524 HydrophobicContact CD2-CD2 3.57Å; F471-L524 HydrophobicContact CD2-CG 4.22Å; F471-L524 HydrophobicContact CE2-CB 4.21Å; F471-L524 HydrophobicContact CE2-CD2 3.63Å; F471-L524 HydrophobicContact CE2-CG 3.79Å; F471-L524 HydrophobicContact CG-CD2 4.04Å; F471-L524 HydrophobicContact CZ-CB 4.15Å; F471-L524 HydrophobicContact CZ-CD2 4.16Å; F471-L524 HydrophobicContact CZ-CG 4.24Å; F471-L524 WeakPolarHBondContact CZ-O 3.41Å; F471-P526 HydrophobicContact CE2-CB 4.12Å; F471-P526 HydrophobicContact CZ-CB 4.25Å; F471-F541 HydrophobicContact CD2-CD1 4.34Å; F471-F541 AromaticContact CD2-CE1 3.52Å; F471-F541 HydrophobicContact CD2-CE1 3.52Å; F471-F541 AromaticContact CD2-CZ 3.83Å; F471-F541 HydrophobicContact CD2-CZ 3.83Å; F471-F541 HydrophobicContact CE2-CD1 4.45Å; F471-F541 AromaticContact CE2-CE1 3.98Å; F471-F541 HydrophobicContact CE2-CE1 3.98Å; F471-L587 HydrophobicContact CE1-CD2 3.69Å; F471-L587 HydrophobicContact CZ-CD2 4.34Å
472	Q	92.4	Very high	91.4	Very high	142 Å²	142	63.3 Å²	63.3	66%	0.664	32%	0.316	S	S	*	.	H	α-helix	trans	-67.7	-40.4	-178.9	-69.6	-174.9	-17	0	0	111.8	Q470 Q475 S476	Q470-Q472 PolarHBondContact O-N 3.4Å; Q472-Q475 PolarHBondContact O-N 3.11Å; Q472-S476 WeakPolarHBondContact O-CB 3.48Å; Q472-S476 PolarHBondContact O-N 3Å; Q472-S476 PolarHBondContact O-OG 2.95Å
473	D	91.8	Very high	90.8	Very high	102 Å²	102	65.3 Å²	65.3	55%	0.545	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-47.7	176.4	-61.6	-24.5	0	0	0	110.5	Q470 Q475 S476 V477	Q470-D473 PolarHBondContact O-N 3.21Å; D473-Q475 PolarHBondContact O-N 3.13Å; D473-S476 WeakPolarHBondContact O-CB 3.33Å; D473-S476 PolarHBondContact O-N 3.42Å; D473-S476 VanDerWaalsContact O-N 3.11Å; D473-V477 WeakPolarHBondContact O-CG2 3.38Å; D473-V477 PolarHBondContact O-N 2.97Å
474	T	93.9	Very high	90.1	Very high	10 Å²	10	61.6 Å²	61.6	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-45	178.8	-53.3	0	0	0	0	111.4	Q470 F471 S476 V477 L478 L524 L568 N570 V571	Q470-T474 WeakPolarHBondContact O-CB 3.14Å; Q470-T474 PolarHBondContact O-N 3.18Å; Q470-T474 PolarHBondContact O-OG1 2.9Å; F471-T474 PolarHBondContact O-N 3.15Å; T474-S476 VanDerWaalsContact C-N 3.27Å; T474-S476 PolarHBondContact O-N 3.49Å; T474-V477 PolarHBondContact O-N 3.24Å; T474-L478 VanDerWaalsContact O-CB 3.24Å; T474-L478 WeakPolarHBondContact O-CB 3.47Å; T474-L478 PolarHBondContact O-N 2.9Å; T474-L524 HydrophobicContact CG2-CD1 4.02Å; T474-L524 HydrophobicContact CG2-CD2 3.74Å; T474-L568 HydrophobicContact CG2-CD1 4.09Å; T474-N570 PolarHBondContact OG1-ND2 2.95Å; T474-V571 HydrophobicContact CG2-CG2 4.26Å
475	Q	92.6	Very high	88.9	Confident	13 Å²	13	55.8 Å²	55.8	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-35.1	175.7	178.3	64.6	72	0	0	112.1	F471 Q472 D473 K479 A522 L524	F471-Q475 VanDerWaalsContact O-CB 3.31Å; F471-Q475 WeakPolarHBondContact O-CB 3.49Å; F471-Q475 PolarHBondContact O-N 3.48Å; Q472-Q475 PolarHBondContact O-N 3.11Å; D473-Q475 PolarHBondContact O-N 3.13Å; Q475-K479 WeakPolarHBondContact O-CG 3.34Å; Q475-K479 PolarHBondContact O-N 3.16Å; Q475-K479 VanDerWaalsContact O-N 3.13Å; Q475-A522 PolarHBondContact NE2-O 3.24Å; Q475-L524 HydrophobicContact CB-CB 4.37Å; Q475-L524 VanDerWaalsContact OE1-CB 3.32Å
476	S	89.9	Confident	87	Confident	61 Å²	61	60.4 Å²	60.4	43%	0.427	31%	0.308	S	S	.	.	H	α-helix	trans	-72.6	-45.8	178.9	-60.2	0	0	0	0	111.6	Q472 D473 T474 L478 K479 R480	Q472-S476 WeakPolarHBondContact O-CB 3.48Å; Q472-S476 PolarHBondContact O-N 3Å; Q472-S476 PolarHBondContact O-OG 2.95Å; D473-S476 WeakPolarHBondContact O-CB 3.33Å; D473-S476 PolarHBondContact O-N 3.42Å; D473-S476 VanDerWaalsContact O-N 3.11Å; T474-S476 VanDerWaalsContact C-N 3.27Å; T474-S476 PolarHBondContact O-N 3.49Å; S476-L478 VanDerWaalsContact C-N 3.31Å; S476-L478 PolarHBondContact O-N 3.06Å; S476-K479 PolarHBondContact O-N 2.96Å; S476-R480 WeakPolarHBondContact O-CB 3.26Å; S476-R480 VanDerWaalsContact O-CG 3.23Å; S476-R480 WeakPolarHBondContact O-CG 3.21Å; S476-R480 PolarHBondContact O-N 3Å
477	V	89.7	Confident	84.9	Confident	46 Å²	46	63.2 Å²	63.2	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-43.6	174.4	177	0	0	0	0	110.5	D473 T474 K479 R480 I481 L568	D473-V477 WeakPolarHBondContact O-CG2 3.38Å; D473-V477 PolarHBondContact O-N 2.97Å; T474-V477 PolarHBondContact O-N 3.24Å; V477-K479 PolarHBondContact O-N 3.12Å; V477-R480 PolarHBondContact O-N 3.36Å; V477-I481 HydrophobicContact CG1-CD1 3.91Å; V477-I481 HydrophobicContact CG1-CG1 4.34Å; V477-I481 WeakPolarHBondContact O-CG1 3.32Å; V477-I481 PolarHBondContact O-N 3.23Å; V477-L568 HydrophobicContact CB-CD2 4.27Å; V477-L568 HydrophobicContact CG1-CD2 3.76Å
478	L	90.9	Very high	82.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-45.9	177.4	179.5	65	0	0	0	112.8	T474 S476 R480 I481 L482 A522 V543 I564 L568	T474-L478 VanDerWaalsContact O-CB 3.24Å; T474-L478 WeakPolarHBondContact O-CB 3.47Å; T474-L478 PolarHBondContact O-N 2.9Å; S476-L478 VanDerWaalsContact C-N 3.31Å; S476-L478 PolarHBondContact O-N 3.06Å; L478-R480 VanDerWaalsContact C-N 3.33Å; L478-I481 PolarHBondContact O-N 2.84Å; L478-L482 PolarHBondContact O-N 3.42Å; L478-A522 HydrophobicContact CD1-CB 3.68Å; L478-A522 HydrophobicContact CD2-CB 3.67Å; L478-A522 HydrophobicContact CG-CB 3.57Å; L478-V543 HydrophobicContact CD1-CG1 4.02Å; L478-V543 HydrophobicContact CD1-CG2 4.47Å; L478-V543 HydrophobicContact CD2-CG1 3.77Å; L478-V543 HydrophobicContact CD2-CG2 3.94Å; L478-I564 HydrophobicContact CD1-CD1 3.83Å; L478-I564 HydrophobicContact CD1-CG1 3.99Å; L478-I564 HydrophobicContact CD1-CG2 4.26Å; L478-L568 HydrophobicContact CB-CD1 4.32Å; L478-L568 HydrophobicContact CD1-CD1 4.4Å
479	K	87.8	Confident	80.5	Confident	100 Å²	100	65.8 Å²	65.8	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-43.7	175.3	-77.1	179.1	177.3	-174.1	0	111.4	Q475 S476 V477 I481 L482 S483	Q475-K479 WeakPolarHBondContact O-CG 3.34Å; Q475-K479 PolarHBondContact O-N 3.16Å; Q475-K479 VanDerWaalsContact O-N 3.13Å; S476-K479 PolarHBondContact O-N 2.96Å; V477-K479 PolarHBondContact O-N 3.12Å; K479-I481 PolarHBondContact O-N 2.9Å; K479-L482 PolarHBondContact O-N 2.79Å; K479-S483 PolarHBondContact O-N 3.08Å; K479-S483 PolarHBondContact O-OG 2.95Å; K479-S483 VanDerWaalsContact O-OG 3.08Å
480	R	86.1	Confident	78.4	Confident	93 Å²	93	67.4 Å²	67.4	35%	0.351	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-40	-179.5	-71.6	168	49.8	173.1	-8.3	112.3	S476 V477 L478 L482 S483 L484 D494 L497	S476-R480 WeakPolarHBondContact O-CB 3.26Å; S476-R480 VanDerWaalsContact O-CG 3.23Å; S476-R480 WeakPolarHBondContact O-CG 3.21Å; S476-R480 PolarHBondContact O-N 3Å; V477-R480 PolarHBondContact O-N 3.36Å; L478-R480 VanDerWaalsContact C-N 3.33Å; R480-L482 PolarHBondContact O-N 3.44Å; R480-S483 PolarHBondContact O-N 3.31Å; R480-S483 VanDerWaalsContact O-N 3.08Å; R480-L484 WeakPolarHBondContact O-CG 3.35Å; R480-D494 IonicContact CZ-OD2 2.84Å; R480-D494 IonicContact NH1-OD2 3.86Å; R480-D494 PolarHBondContact NH1-OD2 3.23Å; R480-D494 IonicContact NH2-OD1 2.87Å; R480-D494 IonicContact NH2-OD2 3.29Å; R480-D494 PolarHBondContact NH2-OD2 2.83Å; R480-L497 HydrophobicContact CB-CD2 3.71Å
481	I	87.1	Confident	76.5	Confident	2 Å²	2	67 Å²	67	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-56	-40.1	174.9	-70.9	164.8	0	0	0	111.2	V477 L478 K479 L484 L497 L513 L567	V477-I481 HydrophobicContact CG1-CD1 3.91Å; V477-I481 HydrophobicContact CG1-CG1 4.34Å; V477-I481 WeakPolarHBondContact O-CG1 3.32Å; V477-I481 PolarHBondContact O-N 3.23Å; L478-I481 PolarHBondContact O-N 2.84Å; K479-I481 PolarHBondContact O-N 2.9Å; I481-L484 WeakPolarHBondContact O-CD1 3.39Å; I481-L497 HydrophobicContact CG1-CD1 4.38Å; I481-L513 HydrophobicContact CG2-CD1 4.07Å; I481-L567 HydrophobicContact CD1-CD1 3.79Å; I481-L567 HydrophobicContact CG1-CD1 4.35Å
482	L	86.5	Confident	74.5	Confident	23 Å²	23	77.5 Å²	77.5	12%	0.12	41%	0.412	C	S	.	.	H	α-helix	trans	-77.2	-17.6	178.9	-73.1	170.7	0	0	0	114.3	L478 K479 R480 I520 A522 L560	L478-L482 PolarHBondContact O-N 3.42Å; K479-L482 PolarHBondContact O-N 2.79Å; R480-L482 PolarHBondContact O-N 3.44Å; L482-I520 HydrophobicContact CD2-CB 4.49Å; L482-I520 HydrophobicContact CD2-CG2 4.17Å; L482-A522 HydrophobicContact CD1-CB 3.32Å; L482-A522 VanDerWaalsContact CD1-N 3.29Å; L482-A522 HydrophobicContact CG-CB 4.45Å; L482-L560 HydrophobicContact CD2-CD1 3.77Å; L482-L560 HydrophobicContact CD2-CD2 3.85Å; L482-L560 HydrophobicContact CD2-CG 4.48Å
483	S	82.4	Confident	72.8	Confident	80 Å²	80	73.1 Å²	73.1	56%	0.559	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	17.3	-179	-54.3	0	0	0	0	113.4	K479 R480	K479-S483 PolarHBondContact O-N 3.08Å; K479-S483 PolarHBondContact O-OG 2.95Å; K479-S483 VanDerWaalsContact O-OG 3.08Å; R480-S483 PolarHBondContact O-N 3.31Å; R480-S483 VanDerWaalsContact O-N 3.08Å
484	L	76	Confident	71.6	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.047	38%	0.381	C	S	.	.			trans	-85.7	2.4	-173.6	-71.4	171.9	0	0	0	115.2	R480 I481 L497 L501 L513 F514	R480-L484 WeakPolarHBondContact O-CG 3.35Å; I481-L484 WeakPolarHBondContact O-CD1 3.39Å; L484-L497 HydrophobicContact CD1-CD2 4.47Å; L484-L497 HydrophobicContact CD2-CD2 4.19Å; L484-L501 HydrophobicContact CD1-CD1 3.24Å; L484-L513 HydrophobicContact CD1-CD2 4.01Å; L484-F514 HydrophobicContact CB-CD1 3.99Å; L484-F514 HydrophobicContact CB-CE1 4.06Å; L484-F514 VanDerWaalsContact O-CD1 3.29Å; L484-F514 WeakPolarHBondContact O-CD1 3.42Å
485	N	67.8	Low	70.6	Confident	16 Å²	16	77.5 Å²	77.5	9%	0.086	41%	0.41	C	S	.	.			trans	-54.6	143.5	-176.9	-80.5	-6.7	0	0	0	112.8	S487 A488 F514 I516 D518	N485-S487 PolarHBondContact O-N 2.82Å; N485-A488 WeakPolarHBondContact O-CB 3.32Å; N485-A488 PolarHBondContact O-N 3.14Å; N485-F514 PolarHBondContact OD1-O 3.12Å; N485-I516 VanDerWaalsContact CG-O 3.27Å; N485-I516 PolarHBondContact ND2-O 2.92Å; N485-I516 PolarHBondContact OD1-O 3.28Å; N485-D518 PolarHBondContact ND2-OD1 2.87Å; N485-D518 PolarHBondContact ND2-OD2 3.15Å
486	E	54.6	Low	69.9	Low	143 Å²	143	83.4 Å²	83.4	67%	0.668	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-27.3	-173.4	-76.9	178.3	163.7	0	0	113.9	A488 F514	E486-A488 PolarHBondContact O-N 2.83Å; E486-F514 HydrophobicContact CG-CB 4.17Å
487	S	49.7	Very low	69.6	Low	110 Å²	110	81.1 Å²	81.1	77%	0.769	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13	179.1	-51.4	0	0	0	0	113.6	N485 N489	N485-S487 PolarHBondContact O-N 2.82Å; S487-N489 VanDerWaalsContact C-N 3.33Å; S487-N489 PolarHBondContact O-N 3.41Å; S487-N489 VanDerWaalsContact O-N 3.09Å
488	A	49.8	Very low	69.2	Low	43 Å²	43	80.4 Å²	80.4	36%	0.355	42%	0.418	S	S	.	.	S	Bend	trans	-84.5	75.7	175.6	0	0	0	0	0	110.2	N485 E486 H493	N485-A488 WeakPolarHBondContact O-CB 3.32Å; N485-A488 PolarHBondContact O-N 3.14Å; E486-A488 PolarHBondContact O-N 2.83Å; A488-H493 PolarHBondContact O-NE2 3.46Å
489	N	45.7	Very low	68.9	Low	125 Å²	125	83.8 Å²	83.8	67%	0.668	44%	0.436	S	S	*	.			trans	16	112.8	162.6	-75.6	-34.3	0	0	0	115.3	S487 A491 R492	S487-N489 VanDerWaalsContact C-N 3.33Å; S487-N489 PolarHBondContact O-N 3.41Å; S487-N489 VanDerWaalsContact O-N 3.09Å; N489-A491 PolarHBondContact O-N 2.97Å; N489-R492 PolarHBondContact O-N 3.03Å
490	E	48.3	Very low	68.6	Low	187 Å²	187	82.8 Å²	82.8	87%	0.874	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-41	-29.6	174	-69.8	179.1	153.5	0	0	114.1	R492	E490-R492 PolarHBondContact O-N 3.23Å; E490-R492 VanDerWaalsContact O-N 3.13Å
491	A	48.9	Very low	68.6	Low	99 Å²	99	78.4 Å²	78.4	82%	0.818	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-64.5	-5.3	175.7	0	0	0	0	0	116.4	N489	N489-A491 PolarHBondContact O-N 2.97Å
492	R	52.5	Low	68.4	Low	224 Å²	224	84.1 Å²	84.1	85%	0.845	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-130.8	4.5	-178.4	-83	-170.3	-179.8	-173.1	1.3	115.9	N489 E490 D494	N489-R492 PolarHBondContact O-N 3.03Å; E490-R492 PolarHBondContact O-N 3.23Å; E490-R492 VanDerWaalsContact O-N 3.13Å; R492-D494 PolarHBondContact O-N 3.49Å; R492-D494 VanDerWaalsContact O-N 3.09Å
493	H	57.1	Low	68.2	Low	49 Å²	49	88.1 Å²	88.1	23%	0.227	47%	0.467	C	S	.	.	S	Bend	trans	-67.5	116.4	168.5	-68.3	-58.6	0	0	0	108.3	A488 E495	A488-H493 PolarHBondContact O-NE2 3.46Å; H493-E495 PolarHBondContact O-N 3.22Å
494	D	65.7	Low	68.2	Low	63 Å²	63	88.6 Å²	88.6	34%	0.337	46%	0.46	S	S	.	.			trans	-59.7	104.7	169.2	-177.5	-30.2	0	0	0	107.2	R480 R492 L496 L497 L498	R480-D494 IonicContact CZ-OD2 2.84Å; R480-D494 IonicContact NH1-OD2 3.86Å; R480-D494 PolarHBondContact NH1-OD2 3.23Å; R480-D494 IonicContact NH2-OD1 2.87Å; R480-D494 IonicContact NH2-OD2 3.29Å; R480-D494 PolarHBondContact NH2-OD2 2.83Å; R492-D494 PolarHBondContact O-N 3.49Å; R492-D494 VanDerWaalsContact O-N 3.09Å; D494-L496 PolarHBondContact O-N 3.18Å; D494-L496 VanDerWaalsContact O-N 3.1Å; D494-L496 VanDerWaalsContact OD1-CB 3.28Å; D494-L496 WeakPolarHBondContact OD1-CB 3.43Å; D494-L496 PolarHBondContact OD1-N 3.26Å; D494-L497 HydrophobicContact CB-CB 4.4Å; D494-L497 PolarHBondContact O-N 3.19Å; D494-L498 PolarHBondContact O-N 2.99Å
495	E	74.1	Confident	68.5	Low	142 Å²	142	88.7 Å²	88.7	66%	0.664	46%	0.46	S	S	*	.	H	α-helix	trans	-53.7	-32.6	-174.4	-166.6	-177.5	170.9	0	0	111.2	H493 L498 N499	H493-E495 PolarHBondContact O-N 3.22Å; E495-L498 PolarHBondContact O-N 3.18Å; E495-N499 VanDerWaalsContact O-CB 3.24Å; E495-N499 WeakPolarHBondContact O-CB 3.04Å; E495-N499 PolarHBondContact O-N 3.34Å; E495-N499 PolarHBondContact O-ND2 3.41Å
496	L	78.3	Confident	69.2	Low	136 Å²	136	91 Å²	91	71%	0.712	48%	0.476	S	S	*	.	H	α-helix	trans	-66.6	-42.4	177	-60.7	174.1	0	0	0	111.8	D494 H500	D494-L496 PolarHBondContact O-N 3.18Å; D494-L496 VanDerWaalsContact O-N 3.1Å; D494-L496 VanDerWaalsContact OD1-CB 3.28Å; D494-L496 WeakPolarHBondContact OD1-CB 3.43Å; D494-L496 PolarHBondContact OD1-N 3.26Å; L496-H500 VanDerWaalsContact O-CB 3.27Å; L496-H500 WeakPolarHBondContact O-CB 3.44Å; L496-H500 PolarHBondContact O-N 2.69Å
497	L	81.9	Confident	70.5	Confident	13 Å²	13	90.9 Å²	90.9	7%	0.068	48%	0.476	C	S	.	.	H	α-helix	trans	-68.8	-42.5	176	172.4	65.8	0	0	0	111	R480 I481 L484 D494 N499 H500 L501	R480-L497 HydrophobicContact CB-CD2 3.71Å; I481-L497 HydrophobicContact CG1-CD1 4.38Å; L484-L497 HydrophobicContact CD1-CD2 4.47Å; L484-L497 HydrophobicContact CD2-CD2 4.19Å; D494-L497 HydrophobicContact CB-CB 4.4Å; D494-L497 PolarHBondContact O-N 3.19Å; L497-N499 VanDerWaalsContact C-N 3.32Å; L497-N499 PolarHBondContact O-N 2.8Å; L497-H500 WeakPolarHBondContact O-CB 3.23Å; L497-H500 PolarHBondContact O-N 3.09Å; L497-L501 HydrophobicContact CD1-CD1 4.11Å; L497-L501 HydrophobicContact CD1-CD2 4.44Å; L497-L501 HydrophobicContact CD1-CG 4.04Å; L497-L501 HydrophobicContact CG-CD1 3.9Å; L497-L501 HydrophobicContact CG-CG 4.3Å; L497-L501 WeakPolarHBondContact O-CB 3.36Å; L497-L501 WeakPolarHBondContact O-CG 3.42Å; L497-L501 PolarHBondContact O-N 2.71Å
498	L	81.9	Confident	72.2	Confident	32 Å²	32	91.2 Å²	91.2	17%	0.168	47%	0.469	C	S	.	.	H	α-helix	trans	-62	-42.7	177.8	-175.8	60.6	0	0	0	111.4	D494 E495 L501 K502 L510 F514	D494-L498 PolarHBondContact O-N 2.99Å; E495-L498 PolarHBondContact O-N 3.18Å; L498-L501 PolarHBondContact O-N 2.96Å; L498-K502 HydrophobicContact CG-CD 4.29Å; L498-K502 WeakPolarHBondContact O-CB 3.36Å; L498-K502 VanDerWaalsContact O-CG 3.31Å; L498-K502 WeakPolarHBondContact O-CG 3.48Å; L498-K502 PolarHBondContact O-N 3.44Å; L498-L510 HydrophobicContact CD1-CD1 4.47Å; L498-F514 HydrophobicContact CD1-CE1 4.42Å; L498-F514 HydrophobicContact CD1-CZ 3.78Å
499	N	83.9	Confident	74	Confident	71 Å²	71	91.3 Å²	91.3	38%	0.38	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-40.7	174.6	-72.3	-19.5	0	0	0	111.6	E495 L497 K502 T503	E495-N499 VanDerWaalsContact O-CB 3.24Å; E495-N499 WeakPolarHBondContact O-CB 3.04Å; E495-N499 PolarHBondContact O-N 3.34Å; E495-N499 PolarHBondContact O-ND2 3.41Å; L497-N499 VanDerWaalsContact C-N 3.32Å; L497-N499 PolarHBondContact O-N 2.8Å; N499-K502 PolarHBondContact O-N 2.98Å; N499-T503 WeakPolarHBondContact O-CB 3.4Å; N499-T503 PolarHBondContact O-N 2.77Å; N499-T503 PolarHBondContact O-OG1 3.36Å
500	H	82.9	Confident	75.9	Confident	79 Å²	79	86.1 Å²	86.1	37%	0.366	44%	0.436	S	S	.	.	H	α-helix	trans	-62.5	-43.4	174.9	-172.4	70.2	0	0	0	111.9	L496 L497 T503 H504	L496-H500 VanDerWaalsContact O-CB 3.27Å; L496-H500 WeakPolarHBondContact O-CB 3.44Å; L496-H500 PolarHBondContact O-N 2.69Å; L497-H500 WeakPolarHBondContact O-CB 3.23Å; L497-H500 PolarHBondContact O-N 3.09Å; H500-T503 PolarHBondContact O-N 3.2Å; H500-H504 AromaticContact CE1-CD2 3.18Å; H500-H504 PolarHBondContact CE1-CD2 2.77Å; H500-H504 AromaticContact CE1-NE2 3.22Å; H500-H504 PolarHBondContact CE1-NE2 3.13Å; H500-H504 AromaticContact CG-CD2 3.93Å; H500-H504 AromaticContact ND1-CD2 3.41Å; H500-H504 PolarHBondContact ND1-CD2 3.48Å; H500-H504 AromaticContact ND1-NE2 3.52Å; H500-H504 AromaticContact NE2-CD2 3.58Å; H500-H504 PolarHBondContact O-CD2 2.96Å; H500-H504 PolarHBondContact O-N 3.21Å
501	L	84.8	Confident	77.7	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-48.6	176	-68	167.1	0	0	0	111.6	L484 L497 L498 T503 H504 L505 L510 L513 L567	L484-L501 HydrophobicContact CD1-CD1 3.24Å; L497-L501 HydrophobicContact CD1-CD1 4.11Å; L497-L501 HydrophobicContact CD1-CD2 4.44Å; L497-L501 HydrophobicContact CD1-CG 4.04Å; L497-L501 HydrophobicContact CG-CD1 3.9Å; L497-L501 HydrophobicContact CG-CG 4.3Å; L497-L501 WeakPolarHBondContact O-CB 3.36Å; L497-L501 WeakPolarHBondContact O-CG 3.42Å; L497-L501 PolarHBondContact O-N 2.71Å; L498-L501 PolarHBondContact O-N 2.96Å; L501-T503 PolarHBondContact O-N 2.87Å; L501-H504 PolarHBondContact O-N 3.03Å; L501-H504 VanDerWaalsContact O-N 3.09Å; L501-L505 HydrophobicContact CB-CD1 4.43Å; L501-L505 HydrophobicContact CD2-CD1 3.77Å; L501-L505 WeakPolarHBondContact O-CB 3.29Å; L501-L505 PolarHBondContact O-N 3.04Å; L501-L510 HydrophobicContact CB-CD1 4.19Å; L501-L513 HydrophobicContact CD1-CD2 4.19Å; L501-L513 HydrophobicContact CD2-CD2 4.01Å; L501-L567 HydrophobicContact CD2-CD1 3.3Å; L501-L567 HydrophobicContact CD2-CD2 3.98Å; L501-L567 HydrophobicContact CD2-CG 4.28Å
502	K	84.4	Confident	79.6	Confident	122 Å²	122	79.3 Å²	79.3	53%	0.53	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-30.2	176.2	-73.5	174.4	178.1	177.3	0	112.8	L498 N499 L510	L498-K502 HydrophobicContact CG-CD 4.29Å; L498-K502 WeakPolarHBondContact O-CB 3.36Å; L498-K502 VanDerWaalsContact O-CG 3.31Å; L498-K502 WeakPolarHBondContact O-CG 3.48Å; L498-K502 PolarHBondContact O-N 3.44Å; N499-K502 PolarHBondContact O-N 2.98Å; K502-L510 HydrophobicContact CB-CD1 4.46Å; K502-L510 HydrophobicContact CG-CD1 3.62Å
503	T	82.4	Confident	81.2	Confident	107 Å²	107	68.7 Å²	68.7	66%	0.656	35%	0.352	S	S	*	.	H	α-helix	trans	-75.7	-30.2	178.3	-56.2	0	0	0	0	112.3	N499 H500 L501	N499-T503 WeakPolarHBondContact O-CB 3.4Å; N499-T503 PolarHBondContact O-N 2.77Å; N499-T503 PolarHBondContact O-OG1 3.36Å; H500-T503 PolarHBondContact O-N 3.2Å; L501-T503 PolarHBondContact O-N 2.87Å
504	H	82.1	Confident	82.6	Confident	90 Å²	90	68 Å²	68	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-114	-11.8	-170.6	-68.1	-61.6	0	0	0	115.1	H500 L501 R566 L567	H500-H504 AromaticContact CE1-CD2 3.18Å; H500-H504 PolarHBondContact CE1-CD2 2.77Å; H500-H504 AromaticContact CE1-NE2 3.22Å; H500-H504 PolarHBondContact CE1-NE2 3.13Å; H500-H504 AromaticContact CG-CD2 3.93Å; H500-H504 AromaticContact ND1-CD2 3.41Å; H500-H504 PolarHBondContact ND1-CD2 3.48Å; H500-H504 AromaticContact ND1-NE2 3.52Å; H500-H504 AromaticContact NE2-CD2 3.58Å; H500-H504 PolarHBondContact O-CD2 2.96Å; H500-H504 PolarHBondContact O-N 3.21Å; L501-H504 PolarHBondContact O-N 3.03Å; L501-H504 VanDerWaalsContact O-N 3.09Å; H504-R566 WeakPolarHBondContact O-CD 3.43Å; H504-L567 HydrophobicContact CB-CD2 3.84Å
505	L	82.8	Confident	83.6	Confident	11 Å²	11	71.8 Å²	71.8	6%	0.058	36%	0.361	C	S	.	.	S	Bend	trans	-118.8	137.5	179.2	-64.2	174.1	0	0	0	110.9	L501 D509 L513 V563 L567	L501-L505 HydrophobicContact CB-CD1 4.43Å; L501-L505 HydrophobicContact CD2-CD1 3.77Å; L501-L505 WeakPolarHBondContact O-CB 3.29Å; L501-L505 PolarHBondContact O-N 3.04Å; L505-D509 HydrophobicContact CB-CB 4.27Å; L505-D509 HydrophobicContact CD2-CB 4.45Å; L505-L513 HydrophobicContact CD1-CD2 3.98Å; L505-V563 HydrophobicContact CD1-CG1 4.01Å; L505-V563 HydrophobicContact CD2-CG1 4.35Å; L505-V563 HydrophobicContact CD2-CG2 4.22Å; L505-L567 HydrophobicContact CD1-CD1 4.39Å; L505-L567 HydrophobicContact CG-CD2 4.4Å
506	P	82.5	Confident	84.3	Confident	65 Å²	65	65.4 Å²	65.4	42%	0.422	33%	0.332	S	S	.	.			trans	-53.8	154.5	164.4	-20.2	29.3	0	0	0	111.9	D508 D509 L510	P506-D508 VanDerWaalsContact C-N 3.31Å; P506-D508 PolarHBondContact O-N 3Å; P506-D509 HydrophobicContact CB-CB 4.41Å; P506-D509 WeakPolarHBondContact CD-OD2 3.44Å; P506-D509 HydrophobicContact CG-CB 4.44Å; P506-D509 PolarHBondContact O-N 3.48Å; P506-D509 VanDerWaalsContact O-N 3.17Å; P506-L510 PolarHBondContact O-N 3.02Å
507	Q	81.8	Confident	84.6	Confident	140 Å²	140	60.8 Å²	60.8	65%	0.654	31%	0.31	S	S	*	.	H	α-helix	trans	-58.1	-42.6	178.7	-173.8	174.5	-24.7	0	0	112.1	D509 L510 E511	Q507-D509 VanDerWaalsContact C-N 3.33Å; Q507-D509 PolarHBondContact O-N 3.44Å; Q507-L510 WeakPolarHBondContact O-CB 3.37Å; Q507-L510 PolarHBondContact O-N 3.4Å; Q507-L510 VanDerWaalsContact O-N 3.1Å; Q507-E511 PolarHBondContact NE2-OE1 3.02Å; Q507-E511 WeakPolarHBondContact O-CG 3.36Å; Q507-E511 PolarHBondContact O-N 3.02Å
508	D	85.5	Confident	84.6	Confident	117 Å²	117	65.3 Å²	65.3	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-61.7	-39	177.7	-61.3	-11	0	0	0	112.9	P506 L510 T512	P506-D508 VanDerWaalsContact C-N 3.31Å; P506-D508 PolarHBondContact O-N 3Å; D508-L510 VanDerWaalsContact C-N 3.35Å; D508-T512 WeakPolarHBondContact O-CB 3.44Å; D508-T512 PolarHBondContact O-N 3.38Å; D508-T512 PolarHBondContact O-OG1 2.95Å
509	D	86.6	Confident	84.9	Confident	45 Å²	45	68.7 Å²	68.7	24%	0.241	35%	0.349	C	S	.	.	H	α-helix	trans	-66.8	-40.5	175.1	-79.6	-6.6	0	0	0	109.8	L505 P506 Q507 T512 L513 F559 R566	L505-D509 HydrophobicContact CB-CB 4.27Å; L505-D509 HydrophobicContact CD2-CB 4.45Å; P506-D509 HydrophobicContact CB-CB 4.41Å; P506-D509 WeakPolarHBondContact CD-OD2 3.44Å; P506-D509 HydrophobicContact CG-CB 4.44Å; P506-D509 PolarHBondContact O-N 3.48Å; P506-D509 VanDerWaalsContact O-N 3.17Å; Q507-D509 VanDerWaalsContact C-N 3.33Å; Q507-D509 PolarHBondContact O-N 3.44Å; D509-T512 PolarHBondContact O-N 3.37Å; D509-L513 WeakPolarHBondContact O-CB 3.46Å; D509-L513 PolarHBondContact O-N 2.9Å; D509-F559 HydrophobicContact CB-CE2 4.05Å; D509-F559 HydrophobicContact CB-CZ 4.09Å; D509-F559 WeakPolarHBondContact O-CZ 3.35Å; D509-R566 IonicContact OD2-NH1 3.76Å
510	L	85.4	Confident	85.3	Confident	17 Å²	17	65.6 Å²	65.6	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-42.1	178.4	-176.3	138.1	0	0	0	111.9	L498 L501 K502 P506 Q507 D508 T512 L513 F514	L498-L510 HydrophobicContact CD1-CD1 4.47Å; L501-L510 HydrophobicContact CB-CD1 4.19Å; K502-L510 HydrophobicContact CB-CD1 4.46Å; K502-L510 HydrophobicContact CG-CD1 3.62Å; P506-L510 PolarHBondContact O-N 3.02Å; Q507-L510 WeakPolarHBondContact O-CB 3.37Å; Q507-L510 PolarHBondContact O-N 3.4Å; Q507-L510 VanDerWaalsContact O-N 3.1Å; D508-L510 VanDerWaalsContact C-N 3.35Å; L510-T512 VanDerWaalsContact C-N 3.32Å; L510-T512 PolarHBondContact O-N 3.2Å; L510-L513 WeakPolarHBondContact O-CB 3.23Å; L510-L513 PolarHBondContact O-N 3.42Å; L510-F514 HydrophobicContact CD1-CZ 4.5Å; L510-F514 HydrophobicContact CD2-CD2 3.99Å; L510-F514 HydrophobicContact CD2-CE2 3.17Å; L510-F514 HydrophobicContact CD2-CZ 3.63Å; L510-F514 HydrophobicContact CG-CE2 3.86Å; L510-F514 HydrophobicContact CG-CZ 3.89Å; L510-F514 WeakPolarHBondContact O-CD2 3.21Å; L510-F514 WeakPolarHBondContact O-CG 3.27Å; L510-F514 PolarHBondContact O-N 2.84Å; L510-F514 VanDerWaalsContact O-N 3.16Å
511	E	86.7	Confident	85.7	Confident	77 Å²	77	64 Å²	64	36%	0.36	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-38.2	172.2	-70.4	-178.9	-161.9	0	0	112.3	Q507 L513 F514 K515	Q507-E511 PolarHBondContact NE2-OE1 3.02Å; Q507-E511 WeakPolarHBondContact O-CG 3.36Å; Q507-E511 PolarHBondContact O-N 3.02Å; E511-L513 VanDerWaalsContact C-N 3.33Å; E511-F514 PolarHBondContact O-N 2.97Å; E511-K515 WeakPolarHBondContact O-CD 3.25Å; E511-K515 WeakPolarHBondContact O-CG 3.21Å
512	T	88.3	Confident	86.1	Confident	65 Å²	65	64.3 Å²	64.3	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-38	175.4	-58.3	0	0	0	0	111.1	D508 D509 L510 F514 K515 I516 F559	D508-T512 WeakPolarHBondContact O-CB 3.44Å; D508-T512 PolarHBondContact O-N 3.38Å; D508-T512 PolarHBondContact O-OG1 2.95Å; D509-T512 PolarHBondContact O-N 3.37Å; L510-T512 VanDerWaalsContact C-N 3.32Å; L510-T512 PolarHBondContact O-N 3.2Å; T512-F514 VanDerWaalsContact C-N 3.33Å; T512-F514 PolarHBondContact O-N 2.91Å; T512-K515 PolarHBondContact O-N 2.91Å; T512-I516 WeakPolarHBondContact O-CG1 3.4Å; T512-F559 HydrophobicContact CG2-CD1 3.88Å; T512-F559 HydrophobicContact CG2-CD2 3.94Å; T512-F559 HydrophobicContact CG2-CE1 3.83Å; T512-F559 HydrophobicContact CG2-CE2 3.88Å; T512-F559 HydrophobicContact CG2-CG 3.95Å; T512-F559 HydrophobicContact CG2-CZ 3.85Å
513	L	87	Confident	86.6	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-38	177.7	-176.2	64.6	0	0	0	112.2	I481 L484 L501 L505 D509 L510 E511 K515 I516 F559 L560 V563	I481-L513 HydrophobicContact CG2-CD1 4.07Å; L484-L513 HydrophobicContact CD1-CD2 4.01Å; L501-L513 HydrophobicContact CD1-CD2 4.19Å; L501-L513 HydrophobicContact CD2-CD2 4.01Å; L505-L513 HydrophobicContact CD1-CD2 3.98Å; D509-L513 WeakPolarHBondContact O-CB 3.46Å; D509-L513 PolarHBondContact O-N 2.9Å; L510-L513 WeakPolarHBondContact O-CB 3.23Å; L510-L513 PolarHBondContact O-N 3.42Å; E511-L513 VanDerWaalsContact C-N 3.33Å; L513-K515 PolarHBondContact O-N 3.43Å; L513-I516 HydrophobicContact CD1-CD1 3.67Å; L513-I516 WeakPolarHBondContact O-CG1 3.21Å; L513-I516 PolarHBondContact O-N 3.07Å; L513-F559 HydrophobicContact CB-CE1 4.07Å; L513-F559 HydrophobicContact CB-CZ 4.38Å; L513-F559 HydrophobicContact CD1-CE1 4.26Å; L513-L560 HydrophobicContact CD1-CD2 4.22Å; L513-V563 HydrophobicContact CD1-CG1 4.25Å
514	F	86.1	Confident	87.2	Confident	34 Å²	34	53.7 Å²	53.7	15%	0.149	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.7	177.2	-62.2	-35.4	0	0	0	114.8	L484 N485 E486 L498 L510 E511 T512	L484-F514 HydrophobicContact CB-CD1 3.99Å; L484-F514 HydrophobicContact CB-CE1 4.06Å; L484-F514 VanDerWaalsContact O-CD1 3.29Å; L484-F514 WeakPolarHBondContact O-CD1 3.42Å; N485-F514 PolarHBondContact OD1-O 3.12Å; E486-F514 HydrophobicContact CG-CB 4.17Å; L498-F514 HydrophobicContact CD1-CE1 4.42Å; L498-F514 HydrophobicContact CD1-CZ 3.78Å; L510-F514 HydrophobicContact CD1-CZ 4.5Å; L510-F514 HydrophobicContact CD2-CD2 3.99Å; L510-F514 HydrophobicContact CD2-CE2 3.17Å; L510-F514 HydrophobicContact CD2-CZ 3.63Å; L510-F514 HydrophobicContact CG-CE2 3.86Å; L510-F514 HydrophobicContact CG-CZ 3.89Å; L510-F514 WeakPolarHBondContact O-CD2 3.21Å; L510-F514 WeakPolarHBondContact O-CG 3.27Å; L510-F514 PolarHBondContact O-N 2.84Å; L510-F514 VanDerWaalsContact O-N 3.16Å; E511-F514 PolarHBondContact O-N 2.97Å; T512-F514 VanDerWaalsContact C-N 3.33Å; T512-F514 PolarHBondContact O-N 2.91Å
515	K	87.2	Confident	87.9	Confident	142 Å²	142	49.4 Å²	49.4	62%	0.617	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	9.3	179.5	-66.6	168.7	-173.8	164.3	0	112.4	E511 T512 L513	E511-K515 WeakPolarHBondContact O-CD 3.25Å; E511-K515 WeakPolarHBondContact O-CG 3.21Å; T512-K515 PolarHBondContact O-N 2.91Å; L513-K515 PolarHBondContact O-N 3.43Å
516	I	87.4	Confident	88.5	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.041	25%	0.249	C	C	.	.	S	Bend	trans	-72.8	138.8	-178.7	-67.3	-172.5	0	0	0	109.7	N485 T512 L513 D518 I520 F559 L560	N485-I516 VanDerWaalsContact CG-O 3.27Å; N485-I516 PolarHBondContact ND2-O 2.92Å; N485-I516 PolarHBondContact OD1-O 3.28Å; T512-I516 WeakPolarHBondContact O-CG1 3.4Å; L513-I516 HydrophobicContact CD1-CD1 3.67Å; L513-I516 WeakPolarHBondContact O-CG1 3.21Å; L513-I516 PolarHBondContact O-N 3.07Å; I516-D518 PolarHBondContact O-N 3.09Å; I516-I520 HydrophobicContact CG2-CD1 3.94Å; I516-F559 HydrophobicContact CD1-CD1 3.8Å; I516-F559 HydrophobicContact CD1-CE1 3.93Å; I516-F559 HydrophobicContact CG1-CD1 4.44Å; I516-L560 HydrophobicContact CD1-CD1 4.11Å; I516-L560 HydrophobicContact CD1-CD2 3.27Å; I516-L560 HydrophobicContact CD1-CG 3.51Å; I516-L560 HydrophobicContact CG2-CD1 3.97Å; I516-L560 HydrophobicContact CG2-CG 4.46Å
517	P	84.5	Confident	89.2	Confident	40 Å²	40	45.8 Å²	45.8	26%	0.26	23%	0.229	S	C	.	.			trans	-61.4	136.6	178.5	-20.1	30.5	0	0	0	113.5	E519 I520	P517-E519 PolarHBondContact O-N 2.92Å; P517-E519 VanDerWaalsContact O-N 3.1Å; P517-I520 HydrophobicContact CB-CG1 4.49Å; P517-I520 HydrophobicContact CG-CD1 4.38Å; P517-I520 PolarHBondContact O-N 3.33Å
518	D	81.7	Confident	89.8	Confident	108 Å²	108	40.6 Å²	40.6	58%	0.578	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.5	177.4	-71.6	-50.9	0	0	0	113.8	N485 I516 I520	N485-D518 PolarHBondContact ND2-OD1 2.87Å; N485-D518 PolarHBondContact ND2-OD2 3.15Å; I516-D518 PolarHBondContact O-N 3.09Å; D518-I520 PolarHBondContact O-N 3.08Å
519	E	88.1	Confident	90.2	Very high	103 Å²	103	36.1 Å²	36.1	48%	0.481	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	12.7	-176.4	-62.4	155.3	168.5	0	0	112.6	P517 F521 T547 Q549	P517-E519 PolarHBondContact O-N 2.92Å; P517-E519 VanDerWaalsContact O-N 3.1Å; E519-F521 WeakPolarHBondContact O-CD2 3.27Å; E519-F521 WeakPolarHBondContact O-CE2 3.39Å; E519-T547 VanDerWaalsContact O-CA 3.27Å; E519-T547 WeakPolarHBondContact O-CA 3.43Å; E519-T547 VanDerWaalsContact O-CB 3.28Å; E519-T547 WeakPolarHBondContact O-CB 3.48Å; E519-T547 PolarHBondContact O-OG1 3.4Å; E519-Q549 HydrophobicContact CB-CG 4.01Å; E519-Q549 WeakPolarHBondContact OE2-CG 3.24Å; E519-Q549 PolarHBondContact OE2-NE2 3.24Å
520	I	92.3	Very high	90.2	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.8	173	-58.8	-179.8	0	0	0	109.5	L482 I516 P517 D518 S546 P553 A556 L557 L560	L482-I520 HydrophobicContact CD2-CB 4.49Å; L482-I520 HydrophobicContact CD2-CG2 4.17Å; I516-I520 HydrophobicContact CG2-CD1 3.94Å; P517-I520 HydrophobicContact CB-CG1 4.49Å; P517-I520 HydrophobicContact CG-CD1 4.38Å; P517-I520 PolarHBondContact O-N 3.33Å; D518-I520 PolarHBondContact O-N 3.08Å; I520-S546 WeakPolarHBondContact CA-O 3.35Å; I520-P553 HydrophobicContact CD1-CG 3.77Å; I520-P553 HydrophobicContact CG1-CG 4.1Å; I520-A556 HydrophobicContact CD1-CB 3.83Å; I520-L557 HydrophobicContact CD1-CD2 4.15Å; I520-L557 HydrophobicContact CG2-CD2 3.89Å; I520-L560 HydrophobicContact CB-CD1 4.48Å; I520-L560 HydrophobicContact CD1-CD1 4.03Å; I520-L560 HydrophobicContact CG2-CD1 3.73Å
521	F	92.3	Very high	90.2	Very high	47 Å²	47	34.7 Å²	34.7	21%	0.206	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.8	-178.5	-55.8	-89	0	0	0	110.1	E519 L545 S546 A581 R583	E519-F521 WeakPolarHBondContact O-CD2 3.27Å; E519-F521 WeakPolarHBondContact O-CE2 3.39Å; F521-L545 CarbonylContact O-C 3.59Å; F521-L545 WeakPolarHBondContact O-CA 3.19Å; F521-S546 PolarHBondContact N-O 2.9Å; F521-S546 PolarHBondContact O-N 2.89Å; F521-A581 HydrophobicContact CD2-CB 3.5Å; F521-A581 VanDerWaalsContact CD2-CB 3.5Å; F521-A581 HydrophobicContact CE2-CB 3.8Å; F521-A581 HydrophobicContact CG-CB 4.39Å; F521-R583 HydrophobicContact CD1-CG 4.26Å; F521-R583 HydrophobicContact CE1-CG 4.18Å; F521-R583 HydrophobicContact CZ-CG 4.37Å; F521-R583 VanDerWaalsContact CZ-CZ 3.43Å; F521-R583 VanDerWaalsContact CZ-NH1 3.28Å
522	A	93.8	Very high	89.7	Confident	6 Å²	6	35.4 Å²	35.4	5%	0.05	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.8	174.6	0	0	0	0	0	112.3	Q475 L478 L482 V543 A544 L545	Q475-A522 PolarHBondContact NE2-O 3.24Å; L478-A522 HydrophobicContact CD1-CB 3.68Å; L478-A522 HydrophobicContact CD2-CB 3.67Å; L478-A522 HydrophobicContact CG-CB 3.57Å; L482-A522 HydrophobicContact CD1-CB 3.32Å; L482-A522 VanDerWaalsContact CD1-N 3.29Å; L482-A522 HydrophobicContact CG-CB 4.45Å; A522-V543 HydrophobicContact CB-CG1 4.14Å; A522-A544 CarbonylContact C-O 3.31Å; A522-A544 WeakPolarHBondContact CA-O 3.27Å; A522-L545 HydrophobicContact CB-CD2 3.43Å; A522-L545 VanDerWaalsContact CB-CD2 3.43Å
523	T	93.7	Very high	88.8	Confident	5 Å²	5	35 Å²	35	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130	178.5	-64.4	0	0	0	0	109.6	A544 V586	T523-A544 PolarHBondContact N-O 2.97Å; T523-A544 PolarHBondContact O-N 3.39Å; T523-V586 HydrophobicContact CG2-CB 3.98Å; T523-V586 HydrophobicContact CG2-CG2 3.89Å
524	L	96.2	Very high	87.8	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.8	172	-168	68.5	0	0	0	108.4	F471 T474 Q475 F541 V543 V571	F471-L524 HydrophobicContact CD2-CD2 3.57Å; F471-L524 HydrophobicContact CD2-CG 4.22Å; F471-L524 HydrophobicContact CE2-CB 4.21Å; F471-L524 HydrophobicContact CE2-CD2 3.63Å; F471-L524 HydrophobicContact CE2-CG 3.79Å; F471-L524 HydrophobicContact CG-CD2 4.04Å; F471-L524 HydrophobicContact CZ-CB 4.15Å; F471-L524 HydrophobicContact CZ-CD2 4.16Å; F471-L524 HydrophobicContact CZ-CG 4.24Å; F471-L524 WeakPolarHBondContact CZ-O 3.41Å; T474-L524 HydrophobicContact CG2-CD1 4.02Å; T474-L524 HydrophobicContact CG2-CD2 3.74Å; Q475-L524 HydrophobicContact CB-CB 4.37Å; Q475-L524 VanDerWaalsContact OE1-CB 3.32Å; L524-F541 HydrophobicContact CD1-CB 3.61Å; L524-F541 HydrophobicContact CD1-CD1 4.35Å; L524-F541 HydrophobicContact CD1-CG 3.98Å; L524-F541 HydrophobicContact CD2-CD1 4.34Å; L524-F541 HydrophobicContact CD2-CE1 4.49Å; L524-F541 HydrophobicContact CD2-CG 4.35Å; L524-F541 HydrophobicContact CG-CB 4.38Å; L524-F541 HydrophobicContact CG-CD1 4.23Å; L524-F541 HydrophobicContact CG-CG 4.31Å; L524-V543 HydrophobicContact CD1-CG2 3.65Å; L524-V571 HydrophobicContact CD1-CG2 4.12Å
525	L	96.2	Very high	86.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.9	179.1	-57	-175.2	0	0	0	110	I527 V542 A544 V586 I632 F634	L525-I527 HydrophobicContact CB-CD1 4.49Å; L525-I527 HydrophobicContact CB-CG1 3.84Å; L525-I527 HydrophobicContact CD1-CD1 4.4Å; L525-I527 PolarHBondContact O-N 2.67Å; L525-V542 HydrophobicContact CB-CB 4.39Å; L525-V542 WeakPolarHBondContact CB-O 3.35Å; L525-V542 HydrophobicContact CD1-CB 4.14Å; L525-V542 HydrophobicContact CD1-CG1 3.95Å; L525-V542 PolarHBondContact N-O 3.17Å; L525-A544 HydrophobicContact CD1-CB 4.2Å; L525-A544 HydrophobicContact CD2-CB 3.74Å; L525-A544 HydrophobicContact CG-CB 3.98Å; L525-V586 HydrophobicContact CD2-CB 4.45Å; L525-V586 HydrophobicContact CD2-CG1 4.34Å; L525-I632 HydrophobicContact CD2-CG2 4.36Å; L525-F634 HydrophobicContact CD2-CE1 3.92Å; L525-F634 HydrophobicContact CD2-CZ 4.06Å
526	P	95.6	Very high	85.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	48	-179.6	35.4	-36.5	0	0	0	111.2	P465 F466 I467 F471 V586 I589 I632	P465-P526 HydrophobicContact CB-CB 3.92Å; P465-P526 HydrophobicContact CB-CG 4.4Å; F466-P526 PolarHBondContact N-O 3.19Å; F466-P526 WeakPolarHBondContact O-CA 3.5Å; I467-P526 HydrophobicContact CD1-CB 4.5Å; I467-P526 HydrophobicContact CG1-CB 4.05Å; F471-P526 HydrophobicContact CE2-CB 4.12Å; F471-P526 HydrophobicContact CZ-CB 4.25Å; P526-V586 VanDerWaalsContact CD-O 3.3Å; P526-V586 WeakPolarHBondContact CD-O 3.11Å; P526-V586 HydrophobicContact CG-CG1 4.07Å; P526-V586 WeakPolarHBondContact CG-O 3.27Å; P526-I589 HydrophobicContact CG-CG2 3.85Å; P526-I632 HydrophobicContact CG-CD1 4.02Å
527	I	96	Very high	84.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161.9	177.3	58.7	168.5	0	0	0	109.4	I460 L525 V542 I589 L630 P631 I632	I460-I527 HydrophobicContact CD1-CD1 4.44Å; L525-I527 HydrophobicContact CB-CD1 4.49Å; L525-I527 HydrophobicContact CB-CG1 3.84Å; L525-I527 HydrophobicContact CD1-CD1 4.4Å; L525-I527 PolarHBondContact O-N 2.67Å; I527-V542 HydrophobicContact CD1-CG2 4.45Å; I527-V542 HydrophobicContact CG1-CG2 4.4Å; I527-I589 HydrophobicContact CG2-CG2 4.01Å; I527-L630 HydrophobicContact CD1-CD2 4.23Å; I527-P631 HydrophobicContact CG2-CG 3.95Å; I527-I632 HydrophobicContact CD1-CG1 4.08Å; I527-I632 HydrophobicContact CG1-CG1 4.47Å; I527-I632 HydrophobicContact CG2-CD1 4.02Å; I527-I632 HydrophobicContact CG2-CG1 4.24Å
528	Q	94.9	Very high	84.8	Confident	31 Å²	31	44.6 Å²	44.6	15%	0.145	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.3	167.7	-71	166.8	-68	0	0	109.6	F466 Y539 S540	F466-Q528 VanDerWaalsContact CD1-CD 3.42Å; F466-Q528 HydrophobicContact CD1-CG 3.4Å; F466-Q528 VanDerWaalsContact CD1-CG 3.4Å; F466-Q528 HydrophobicContact CE1-CG 3.53Å; F466-Q528 HydrophobicContact CG-CG 4.19Å; F466-Q528 VanDerWaalsContact CZ-CD 3.48Å; F466-Q528 HydrophobicContact CZ-CG 4.36Å; Q528-Y539 HydrophobicContact CB-CD1 3.91Å; Q528-Y539 HydrophobicContact CB-CD2 4.02Å; Q528-Y539 HydrophobicContact CB-CE1 3.54Å; Q528-Y539 HydrophobicContact CB-CE2 3.65Å; Q528-Y539 HydrophobicContact CB-CG 4.14Å; Q528-Y539 HydrophobicContact CG-CD1 4.5Å; Q528-Y539 HydrophobicContact CG-CE1 4.31Å; Q528-Y539 PolarHBondContact NE2-O 3.34Å; Q528-Y539 VanDerWaalsContact NE2-O 3.08Å; Q528-Y539 WeakPolarHBondContact O-CE2 3.48Å; Q528-Y539 PolarHBondContact O-OH 2.91Å; Q528-S540 CarbonylContact C-O 3.55Å; Q528-S540 WeakPolarHBondContact CA-O 3.17Å
529	S	93.8	Very high	85.2	Confident	23 Å²	23	43.5 Å²	43.5	16%	0.161	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.2	175.8	-172.9	0	0	0	0	110.7	G531 Y539 S540 V542 N572	S529-G531 PolarHBondContact O-N 2.68Å; S529-Y539 WeakPolarHBondContact O-CD2 3.21Å; S529-S540 PolarHBondContact N-O 2.9Å; S529-S540 PolarHBondContact O-N 3.44Å; S529-V542 VanDerWaalsContact CB-CG2 3.46Å; S529-N572 PolarHBondContact O-ND2 3.28Å
530	V	87.9	Confident	85.5	Confident	33 Å²	33	39.4 Å²	39.4	20%	0.2	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.9	176.9	-177.8	0	0	0	0	109.7	P345 R537 S538 Y539 R573	P345-V530 HydrophobicContact CB-CG2 4.04Å; P345-V530 HydrophobicContact CG-CG2 3.82Å; V530-R537 HydrophobicContact CG1-CG 3.68Å; V530-S538 WeakPolarHBondContact CA-O 3.49Å; V530-Y539 HydrophobicContact CG2-CD2 3.81Å; V530-Y539 HydrophobicContact CG2-CE2 4.19Å; V530-R573 PolarHBondContact O-NH2 3.15Å; V530-R573 VanDerWaalsContact O-NH2 3.12Å
531	G	84.5	Confident	85.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	166.3	175.7	0	0	0	0	0	111.8	S529 R537 S538 N572	S529-G531 PolarHBondContact O-N 2.68Å; G531-R537 WeakPolarHBondContact O-CA 3.33Å; G531-S538 PolarHBondContact N-O 3.25Å; G531-S538 PolarHBondContact O-N 2.82Å; G531-N572 WeakPolarHBondContact CA-ND2 3.44Å; G531-N572 PolarHBondContact N-ND2 2.77Å
532	V	76	Confident	85.9	Confident	92 Å²	92	37.5 Å²	37.5	56%	0.558	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.6	161.8	178.5	0	0	0	0	104.8	G534 R536	V532-G534 VanDerWaalsContact CG1-O 3.29Å; V532-G534 WeakPolarHBondContact CG1-O 3.34Å; V532-R536 WeakPolarHBondContact CA-O 3.32Å
533	Q	69.8	Low	86.1	Confident	55 Å²	55	37.2 Å²	37.2	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.5	179.4	-76.4	167.8	-69.5	0	0	107.1	D535 R536 S538 V571 N572	Q533-D535 PolarHBondContact O-N 2.96Å; Q533-R536 PolarHBondContact N-O 3.43Å; Q533-R536 PolarHBondContact O-N 3.5Å; Q533-S538 VanDerWaalsContact OE1-CB 3.28Å; Q533-S538 PolarHBondContact OE1-OG 3.45Å; Q533-V571 PolarHBondContact NE2-O 3.3Å; Q533-V571 VanDerWaalsContact NE2-O 3.14Å; Q533-N572 HydrophobicContact CG-CB 4.43Å
534	G	66.2	Low	86.2	Confident	67 Å²	67	37 Å²	37	69%	0.691	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	-131.4	-161.8	0	0	0	0	0	110.1	V532	V532-G534 VanDerWaalsContact CG1-O 3.29Å; V532-G534 WeakPolarHBondContact CG1-O 3.34Å
535	D	60.9	Low	86.2	Confident	121 Å²	121	37.2 Å²	37.2	65%	0.647	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	1.1	-178.5	-54.3	-45.1	0	0	0	113.6	Q53 Q533	Q53-D535 PolarHBondContact NE2-OD1 3.46Å; Q533-D535 PolarHBondContact O-N 2.96Å
536	R	64.2	Low	86.1	Confident	132 Å²	132	37.3 Å²	37.3	50%	0.498	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.7	-175.8	-66.5	-178.7	-179	168.5	1.9	111.2	Q396 V532 Q533 S538	Q396-R536 PolarHBondContact O-NH2 3.19Å; V532-R536 WeakPolarHBondContact CA-O 3.32Å; Q533-R536 PolarHBondContact N-O 3.43Å; Q533-R536 PolarHBondContact O-N 3.5Å; R536-S538 PolarHBondContact O-N 2.81Å
537	R	73.3	Confident	86	Confident	87 Å²	87	37.5 Å²	37.5	33%	0.328	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.3	165.2	-171.1	175.4	-72.5	170.8	5.8	108.1	E346 V530 G531	E346-R537 WeakPolarHBondContact OE1-CD 3.31Å; E346-R537 IonicContact OE1-CZ 2.69Å; E346-R537 IonicContact OE1-NE 3.63Å; E346-R537 IonicContact OE1-NH1 3.92Å; E346-R537 PolarHBondContact OE1-NH1 3.08Å; E346-R537 IonicContact OE2-NH1 3.56Å; E346-R537 PolarHBondContact OE2-NH1 3.22Å; V530-R537 HydrophobicContact CG1-CG 3.68Å; G531-R537 WeakPolarHBondContact O-CA 3.33Å
538	S	83.5	Confident	85.7	Confident	21 Å²	21	40.9 Å²	40.9	15%	0.147	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.2	176.6	66.6	0	0	0	0	110.5	V530 G531 Q533 R536 N572	V530-S538 WeakPolarHBondContact CA-O 3.49Å; G531-S538 PolarHBondContact N-O 3.25Å; G531-S538 PolarHBondContact O-N 2.82Å; Q533-S538 VanDerWaalsContact OE1-CB 3.28Å; Q533-S538 PolarHBondContact OE1-OG 3.45Å; R536-S538 PolarHBondContact O-N 2.81Å; S538-N572 PolarHBondContact O-ND2 3.2Å; S538-N572 VanDerWaalsContact OG-CB 3.23Å; S538-N572 WeakPolarHBondContact OG-CB 3.49Å; S538-N572 PolarHBondContact OG-ND2 2.82Å
539	Y	90	Very high	85.4	Confident	85 Å²	85	41.8 Å²	41.8	33%	0.333	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	93.6	172.4	-169.7	-121.5	0	0	0	108.5	P345 Q528 S529 V530	P345-Y539 HydrophobicContact CG-CD2 4.41Å; P345-Y539 HydrophobicContact CG-CE2 4.01Å; Q528-Y539 HydrophobicContact CB-CD1 3.91Å; Q528-Y539 HydrophobicContact CB-CD2 4.02Å; Q528-Y539 HydrophobicContact CB-CE1 3.54Å; Q528-Y539 HydrophobicContact CB-CE2 3.65Å; Q528-Y539 HydrophobicContact CB-CG 4.14Å; Q528-Y539 HydrophobicContact CG-CD1 4.5Å; Q528-Y539 HydrophobicContact CG-CE1 4.31Å; Q528-Y539 PolarHBondContact NE2-O 3.34Å; Q528-Y539 VanDerWaalsContact NE2-O 3.08Å; Q528-Y539 WeakPolarHBondContact O-CE2 3.48Å; Q528-Y539 PolarHBondContact O-OH 2.91Å; S529-Y539 WeakPolarHBondContact O-CD2 3.21Å; V530-Y539 HydrophobicContact CG2-CD2 3.81Å; V530-Y539 HydrophobicContact CG2-CE2 4.19Å
540	S	93.9	Very high	84.9	Confident	18 Å²	18	51.4 Å²	51.4	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	175.9	-162.5	-125.1	0	0	0	0	111.1	Q528 S529 N570 N572	Q528-S540 CarbonylContact C-O 3.55Å; Q528-S540 WeakPolarHBondContact CA-O 3.17Å; S529-S540 PolarHBondContact N-O 2.9Å; S529-S540 PolarHBondContact O-N 3.44Å; S540-N570 WeakPolarHBondContact CB-O 3.38Å; S540-N570 WeakPolarHBondContact OG-CA 3.4Å; S540-N570 PolarHBondContact OG-O 3.26Å; S540-N572 PolarHBondContact N-ND2 3.23Å; S540-N572 PolarHBondContact O-OD1 3.33Å
541	F	96.4	Very high	84.9	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	154.9	-177.3	-70.7	-72.3	0	0	0	113.2	F466 P468 F471 L524 N570 V571 N572	F466-F541 HydrophobicContact CB-CE1 4.48Å; F466-F541 HydrophobicContact CD1-CD1 4.04Å; F466-F541 AromaticContact CD1-CE1 3.27Å; F466-F541 HydrophobicContact CD1-CE1 3.27Å; F466-F541 HydrophobicContact CD1-CE2 4.46Å; F466-F541 AromaticContact CD1-CZ 3.53Å; F466-F541 HydrophobicContact CD1-CZ 3.53Å; F466-F541 AromaticContact CE1-CE1 3.77Å; F466-F541 HydrophobicContact CE1-CE1 3.77Å; F466-F541 HydrophobicContact CE1-CE2 4.14Å; F466-F541 AromaticContact CE1-CZ 3.54Å; F466-F541 HydrophobicContact CE1-CZ 3.54Å; F466-F541 HydrophobicContact CG-CE1 4.28Å; P468-F541 HydrophobicContact CG-CE2 4.14Å; P468-F541 HydrophobicContact CG-CZ 3.49Å; P468-F541 VanDerWaalsContact CG-CZ 3.49Å; F471-F541 HydrophobicContact CD2-CD1 4.34Å; F471-F541 AromaticContact CD2-CE1 3.52Å; F471-F541 HydrophobicContact CD2-CE1 3.52Å; F471-F541 AromaticContact CD2-CZ 3.83Å; F471-F541 HydrophobicContact CD2-CZ 3.83Å; F471-F541 HydrophobicContact CE2-CD1 4.45Å; F471-F541 AromaticContact CE2-CE1 3.98Å; F471-F541 HydrophobicContact CE2-CE1 3.98Å; L524-F541 HydrophobicContact CD1-CB 3.61Å; L524-F541 HydrophobicContact CD1-CD1 4.35Å; L524-F541 HydrophobicContact CD1-CG 3.98Å; L524-F541 HydrophobicContact CD2-CD1 4.34Å; L524-F541 HydrophobicContact CD2-CE1 4.49Å; L524-F541 HydrophobicContact CD2-CG 4.35Å; L524-F541 HydrophobicContact CG-CB 4.38Å; L524-F541 HydrophobicContact CG-CD1 4.23Å; L524-F541 HydrophobicContact CG-CG 4.31Å; F541-N570 WeakPolarHBondContact CB-O 3.26Å; F541-N570 HydrophobicContact CD2-CB 4.29Å; F541-N570 WeakPolarHBondContact CD2-O 3.46Å; F541-N570 PolarHBondContact N-O 2.98Å; F541-V571 HydrophobicContact CB-CG2 4.29Å; F541-N572 PolarHBondContact O-N 3.1Å; F541-N572 VanDerWaalsContact O-N 3.09Å; F541-N572 PolarHBondContact O-OD1 2.84Å
542	V	96.8	Very high	85.1	Confident	4 Å²	4	58 Å²	58	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.3	169.8	-172.6	0	0	0	0	108.5	L525 I527 S529 R573 V575	L525-V542 HydrophobicContact CB-CB 4.39Å; L525-V542 WeakPolarHBondContact CB-O 3.35Å; L525-V542 HydrophobicContact CD1-CB 4.14Å; L525-V542 HydrophobicContact CD1-CG1 3.95Å; L525-V542 PolarHBondContact N-O 3.17Å; I527-V542 HydrophobicContact CD1-CG2 4.45Å; I527-V542 HydrophobicContact CG1-CG2 4.4Å; S529-V542 VanDerWaalsContact CB-CG2 3.46Å; V542-R573 CarbonylContact C-O 3.6Å; V542-R573 WeakPolarHBondContact CA-O 3.29Å; V542-R573 HydrophobicContact CB-CB 4.37Å; V542-R573 HydrophobicContact CG1-CB 3.97Å; V542-R573 HydrophobicContact CG2-CB 4.1Å; V542-V575 HydrophobicContact CG1-CG1 3.98Å; V542-V575 HydrophobicContact CG1-CG2 4.01Å
543	V	97.5	Very high	85.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.4	169.8	169.4	0	0	0	0	109.4	L478 A522 L524 L545 I564 V571 R573 V574 V575	L478-V543 HydrophobicContact CD1-CG1 4.02Å; L478-V543 HydrophobicContact CD1-CG2 4.47Å; L478-V543 HydrophobicContact CD2-CG1 3.77Å; L478-V543 HydrophobicContact CD2-CG2 3.94Å; A522-V543 HydrophobicContact CB-CG1 4.14Å; L524-V543 HydrophobicContact CD1-CG2 3.65Å; V543-L545 HydrophobicContact CG1-CD2 4.09Å; V543-I564 HydrophobicContact CB-CG2 4.46Å; V543-I564 HydrophobicContact CG1-CD1 4.35Å; V543-I564 HydrophobicContact CG2-CG2 4.18Å; V543-V571 HydrophobicContact CB-CG1 4.19Å; V543-V571 HydrophobicContact CG2-CB 4.36Å; V543-V571 HydrophobicContact CG2-CG1 3.64Å; V543-V571 HydrophobicContact CG2-CG2 3.74Å; V543-R573 PolarHBondContact N-O 3.01Å; V543-V574 HydrophobicContact CB-CG2 4.35Å; V543-V574 HydrophobicContact CG1-CG1 4.48Å; V543-V574 CarbonylContact O-C 3.57Å; V543-V574 VanDerWaalsContact O-CA 3.27Å; V543-V574 WeakPolarHBondContact O-CA 3.33Å; V543-V575 PolarHBondContact O-N 3.35Å
544	A	96.5	Very high	86.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.6	172.8	0	0	0	0	0	109.9	A522 T523 L525 V575 V577 F634	A522-A544 CarbonylContact C-O 3.31Å; A522-A544 WeakPolarHBondContact CA-O 3.27Å; T523-A544 PolarHBondContact N-O 2.97Å; T523-A544 PolarHBondContact O-N 3.39Å; L525-A544 HydrophobicContact CD1-CB 4.2Å; L525-A544 HydrophobicContact CD2-CB 3.74Å; L525-A544 HydrophobicContact CG-CB 3.98Å; A544-V575 CarbonylContact C-O 3.59Å; A544-V575 WeakPolarHBondContact CA-O 3.49Å; A544-V575 HydrophobicContact CB-CG2 4.1Å; A544-V577 HydrophobicContact CB-CG2 3.64Å; A544-F634 HydrophobicContact CB-CE1 4.43Å; A544-F634 HydrophobicContact CB-CZ 4.4Å
545	L	96.2	Very high	88	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146	169.1	-58.5	-176.1	0	0	0	110	F521 A522 V543 L557 L560 I564 V574 V575 Y576 V577	F521-L545 CarbonylContact O-C 3.59Å; F521-L545 WeakPolarHBondContact O-CA 3.19Å; A522-L545 HydrophobicContact CB-CD2 3.43Å; A522-L545 VanDerWaalsContact CB-CD2 3.43Å; V543-L545 HydrophobicContact CG1-CD2 4.09Å; L545-L557 HydrophobicContact CB-CD2 3.91Å; L545-L557 HydrophobicContact CD1-CD2 3.93Å; L545-L560 HydrophobicContact CD1-CB 3.98Å; L545-L560 HydrophobicContact CD1-CD1 4.46Å; L545-I564 HydrophobicContact CD1-CD1 4.45Å; L545-I564 HydrophobicContact CD2-CD1 3.82Å; L545-V574 HydrophobicContact CD1-CG1 3.59Å; L545-V574 HydrophobicContact CD2-CG1 4.41Å; L545-V574 HydrophobicContact CG-CG1 3.59Å; L545-V575 PolarHBondContact N-O 2.97Å; L545-Y576 CarbonylContact O-C 3.52Å; L545-Y576 WeakPolarHBondContact O-CA 3.47Å; L545-Y576 WeakPolarHBondContact O-CD2 3.48Å; L545-V577 PolarHBondContact O-N 3.07Å
546	S	94.4	Very high	89.5	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	161.4	177.4	62.6	0	0	0	0	110.3	I520 F521 V582	I520-S546 WeakPolarHBondContact CA-O 3.35Å; F521-S546 PolarHBondContact N-O 2.9Å; F521-S546 PolarHBondContact O-N 2.89Å; S546-V582 PolarHBondContact OG-N 3.08Å
547	T	93.4	Very high	90.9	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	148.6	179.8	-176.1	0	0	0	0	110.7	E519 Q549 T552 P553 Y576	E519-T547 VanDerWaalsContact O-CA 3.27Å; E519-T547 WeakPolarHBondContact O-CA 3.43Å; E519-T547 VanDerWaalsContact O-CB 3.28Å; E519-T547 WeakPolarHBondContact O-CB 3.48Å; E519-T547 PolarHBondContact O-OG1 3.4Å; T547-Q549 VanDerWaalsContact C-N 3.35Å; T547-Q549 HydrophobicContact CG2-CB 4.43Å; T547-Q549 WeakPolarHBondContact OG1-CG 3.31Å; T547-Q549 PolarHBondContact OG1-N 2.86Å; T547-T552 HydrophobicContact CG2-CG2 4.46Å; T547-P553 HydrophobicContact CG2-CG 4.28Å; T547-Y576 HydrophobicContact CG2-CE2 3.96Å
548	D	89.2	Confident	91.8	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	21%	0.213	S	C	.	.			trans	-93.6	6.1	173.4	-73.3	-35.2	0	0	0	112.2	K550 A581 R583	D548-K550 PolarHBondContact O-N 2.92Å; D548-A581 HydrophobicContact CB-CB 4.34Å; D548-A581 WeakPolarHBondContact OD1-CB 3.5Å; D548-A581 PolarHBondContact OD1-N 2.79Å; D548-A581 WeakPolarHBondContact OD2-CB 3.3Å; D548-R583 IonicContact OD2-CZ 2.81Å; D548-R583 IonicContact OD2-NE 2.89Å; D548-R583 PolarHBondContact OD2-NE 3.13Å; D548-R583 IonicContact OD2-NH2 3.79Å; D548-R583 PolarHBondContact OD2-NH2 2.82Å
549	Q	88.9	Confident	92.2	Very high	50 Å²	50	45.8 Å²	45.8	23%	0.234	21%	0.212	C	C	.	.			trans	-62.9	134.5	177	-74.4	-170.1	1.8	0	0	111.7	E519 T547 K551 P553	E519-Q549 HydrophobicContact CB-CG 4.01Å; E519-Q549 WeakPolarHBondContact OE2-CG 3.24Å; E519-Q549 PolarHBondContact OE2-NE2 3.24Å; T547-Q549 VanDerWaalsContact C-N 3.35Å; T547-Q549 HydrophobicContact CG2-CB 4.43Å; T547-Q549 WeakPolarHBondContact OG1-CG 3.31Å; T547-Q549 PolarHBondContact OG1-N 2.86Å; Q549-K551 WeakPolarHBondContact CB-O 3.28Å; Q549-K551 PolarHBondContact O-N 3.44Å; Q549-P553 VanDerWaalsContact OE1-CG 3.3Å
550	K	84.1	Confident	92.4	Very high	225 Å²	225	41.7 Å²	41.7	98%	0.978	20%	0.196	S	C	*	.	S	Bend	trans	-55.9	-36.8	176.4	-68.4	-174.6	-179.9	-179.6	0	112.7	D548	D548-K550 PolarHBondContact O-N 2.92Å
551	K	86.8	Confident	92.3	Very high	155 Å²	155	42.2 Å²	42.2	67%	0.674	20%	0.2	S	C	*	.	S	Bend	trans	-113.4	121	172.6	-177.4	174.6	-176.1	173.3	0	108.3	Q549 P553	Q549-K551 WeakPolarHBondContact CB-O 3.28Å; Q549-K551 PolarHBondContact O-N 3.44Å; K551-P553 WeakPolarHBondContact O-CD 3.46Å
552	T	88.9	Confident	92	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.104	23%	0.23	C	C	.	.			trans	-61.4	122.3	-177.6	-54.4	0	0	0	0	110.6	T547 W554 L557 Y576	T547-T552 HydrophobicContact CG2-CG2 4.46Å; T552-W554 HydrophobicContact CG2-CD2 3.71Å; T552-W554 VanDerWaalsContact CG2-CE2 3.49Å; T552-W554 HydrophobicContact CG2-CE3 4Å; T552-W554 HydrophobicContact CG2-CG 4.3Å; T552-W554 HydrophobicContact CG2-CH2 3.92Å; T552-W554 HydrophobicContact CG2-CZ2 3.62Å; T552-W554 HydrophobicContact CG2-CZ3 4.09Å; T552-W554 PolarHBondContact O-N 3.4Å; T552-L557 HydrophobicContact CG2-CD1 3.51Å; T552-Y576 HydrophobicContact CG2-CE1 4.13Å; T552-Y576 HydrophobicContact CG2-CE2 3.99Å
553	P	91.2	Very high	91.7	Very high	21 Å²	21	49.1 Å²	49.1	14%	0.136	23%	0.229	C	C	.	.			trans	-79.3	65.5	-177	32.8	-36.2	0	0	0	110.9	I520 T547 Q549 K551 K555 A556 L557	I520-P553 HydrophobicContact CD1-CG 3.77Å; I520-P553 HydrophobicContact CG1-CG 4.1Å; T547-P553 HydrophobicContact CG2-CG 4.28Å; Q549-P553 VanDerWaalsContact OE1-CG 3.3Å; K551-P553 WeakPolarHBondContact O-CD 3.46Å; P553-K555 PolarHBondContact O-N 3.31Å; P553-K555 VanDerWaalsContact O-N 3.1Å; P553-A556 HydrophobicContact CB-CB 4.23Å; P553-A556 PolarHBondContact O-N 3.23Å; P553-L557 HydrophobicContact CG-CG 4.48Å; P553-L557 PolarHBondContact O-N 2.79Å
554	W	91.1	Very high	91.5	Very high	24 Å²	24	49.1 Å²	49.1	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-51.8	-39.5	-174.2	-66	112.4	0	0	0	112.9	T552 A556 L557 F558 Y576 F578 Y667 P668 E674	T552-W554 HydrophobicContact CG2-CD2 3.71Å; T552-W554 VanDerWaalsContact CG2-CE2 3.49Å; T552-W554 HydrophobicContact CG2-CE3 4Å; T552-W554 HydrophobicContact CG2-CG 4.3Å; T552-W554 HydrophobicContact CG2-CH2 3.92Å; T552-W554 HydrophobicContact CG2-CZ2 3.62Å; T552-W554 HydrophobicContact CG2-CZ3 4.09Å; T552-W554 PolarHBondContact O-N 3.4Å; W554-A556 PolarHBondContact O-N 3Å; W554-L557 HydrophobicContact CE3-CD1 4.01Å; W554-L557 HydrophobicContact CZ3-CD1 4.26Å; W554-L557 PolarHBondContact O-N 3.14Å; W554-F558 HydrophobicContact CB-CD2 4.42Å; W554-F558 HydrophobicContact CE3-CE2 4.18Å; W554-F558 VanDerWaalsContact O-CD2 3.23Å; W554-F558 WeakPolarHBondContact O-CD2 3.47Å; W554-F558 PolarHBondContact O-N 3.5Å; W554-Y576 AromaticContact CH2-CD1 3.6Å; W554-Y576 HydrophobicContact CH2-CD1 3.6Å; W554-Y576 AromaticContact CH2-CE1 3.83Å; W554-Y576 HydrophobicContact CH2-CE1 3.83Å; W554-Y576 HydrophobicContact CH2-CG 4.25Å; W554-Y576 AromaticContact CZ3-CD1 3.9Å; W554-Y576 HydrophobicContact CZ3-CD1 3.9Å; W554-Y576 HydrophobicContact CZ3-CE1 4.42Å; W554-Y576 HydrophobicContact CZ3-CG 4.08Å; W554-F578 HydrophobicContact CH2-CE1 4.18Å; W554-F578 HydrophobicContact CH2-CZ 4.08Å; W554-F578 HydrophobicContact CZ2-CE1 4.46Å; W554-Y667 HydrophobicContact CB-CE1 3.92Å; W554-Y667 HydrophobicContact CB-CE2 4.48Å; W554-Y667 WeakPolarHBondContact CB-OH 3.29Å; W554-P668 HydrophobicContact CD2-CB 3.83Å; W554-P668 HydrophobicContact CD2-CG 3.73Å; W554-P668 HydrophobicContact CE3-CB 4.41Å; W554-P668 HydrophobicContact CE3-CG 3.79Å; W554-P668 HydrophobicContact CG-CB 4.2Å; W554-P668 HydrophobicContact CG-CG 4.44Å; W554-P668 HydrophobicContact CH2-CB 4.41Å; W554-P668 HydrophobicContact CH2-CG 3.85Å; W554-P668 HydrophobicContact CZ2-CB 3.82Å; W554-P668 HydrophobicContact CZ2-CG 3.77Å; W554-P668 HydrophobicContact CZ3-CG 3.86Å; W554-E674 PolarHBondContact NE1-OE1 3.24Å
555	K	90.4	Very high	91.2	Very high	174 Å²	174	51 Å²	51	76%	0.757	24%	0.241	S	C	*	.	H	α-helix	trans	-60	-46.8	180	-71.9	-173.7	179	-177.7	0	111	P553 F559 Y667	P553-K555 PolarHBondContact O-N 3.31Å; P553-K555 VanDerWaalsContact O-N 3.1Å; K555-F559 WeakPolarHBondContact O-CB 3.36Å; K555-F559 PolarHBondContact O-N 2.96Å; K555-Y667 WeakPolarHBondContact CA-OH 3.34Å; K555-Y667 WeakPolarHBondContact CG-OH 3.28Å; K555-Y667 PolarHBondContact N-OH 2.88Å
556	A	92.2	Very high	90.7	Very high	19 Å²	19	57 Å²	57	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-42.4	176.7	0	0	0	0	0	111.7	I520 P553 W554 F558 F559 L560	I520-A556 HydrophobicContact CD1-CB 3.83Å; P553-A556 HydrophobicContact CB-CB 4.23Å; P553-A556 PolarHBondContact O-N 3.23Å; W554-A556 PolarHBondContact O-N 3Å; A556-F558 PolarHBondContact O-N 3.2Å; A556-F559 PolarHBondContact O-N 3.43Å; A556-L560 WeakPolarHBondContact O-CB 3.3Å; A556-L560 WeakPolarHBondContact O-CG 3.38Å; A556-L560 PolarHBondContact O-N 3.08Å
557	L	94	Very high	90.4	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-43.7	179	-66.7	172.3	0	0	0	112.8	I520 L545 T552 P553 W554 L560 S561 Y576	I520-L557 HydrophobicContact CD1-CD2 4.15Å; I520-L557 HydrophobicContact CG2-CD2 3.89Å; L545-L557 HydrophobicContact CB-CD2 3.91Å; L545-L557 HydrophobicContact CD1-CD2 3.93Å; T552-L557 HydrophobicContact CG2-CD1 3.51Å; P553-L557 HydrophobicContact CG-CG 4.48Å; P553-L557 PolarHBondContact O-N 2.79Å; W554-L557 HydrophobicContact CE3-CD1 4.01Å; W554-L557 HydrophobicContact CZ3-CD1 4.26Å; W554-L557 PolarHBondContact O-N 3.14Å; L557-L560 PolarHBondContact O-N 3.4Å; L557-S561 WeakPolarHBondContact O-CB 3.46Å; L557-S561 PolarHBondContact O-N 2.9Å; L557-Y576 HydrophobicContact CD1-CD2 3.6Å; L557-Y576 HydrophobicContact CD1-CE2 3.8Å; L557-Y576 HydrophobicContact CD1-CG 4.29Å; L557-Y576 HydrophobicContact CD2-CD2 4.33Å
558	F	92.3	Very high	90.3	Very high	41 Å²	41	58.2 Å²	58.2	18%	0.18	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-40.4	176	-85.5	-78	0	0	0	111.8	W554 A556 S561 K562 P665 Y667	W554-F558 HydrophobicContact CB-CD2 4.42Å; W554-F558 HydrophobicContact CE3-CE2 4.18Å; W554-F558 VanDerWaalsContact O-CD2 3.23Å; W554-F558 WeakPolarHBondContact O-CD2 3.47Å; W554-F558 PolarHBondContact O-N 3.5Å; A556-F558 PolarHBondContact O-N 3.2Å; F558-S561 PolarHBondContact O-N 3.3Å; F558-S561 PolarHBondContact O-OG 2.93Å; F558-K562 PolarHBondContact O-N 3.18Å; F558-P665 HydrophobicContact CD1-CG 4.09Å; F558-P665 HydrophobicContact CE1-CB 3.77Å; F558-P665 HydrophobicContact CE1-CG 3.46Å; F558-P665 VanDerWaalsContact CE1-CG 3.46Å; F558-P665 HydrophobicContact CZ-CB 4.42Å; F558-P665 HydrophobicContact CZ-CG 4.49Å; F558-Y667 HydrophobicContact CB-CE2 4.08Å; F558-Y667 HydrophobicContact CD1-CD2 4.35Å; F558-Y667 AromaticContact CD2-CD2 3.34Å; F558-Y667 HydrophobicContact CD2-CD2 3.34Å; F558-Y667 AromaticContact CD2-CE2 3.07Å; F558-Y667 HydrophobicContact CD2-CE2 3.07Å; F558-Y667 HydrophobicContact CD2-CG 4.37Å; F558-Y667 AromaticContact CD2-CZ 3.91Å; F558-Y667 HydrophobicContact CE1-CD2 4.36Å; F558-Y667 AromaticContact CE2-CD2 3.35Å; F558-Y667 HydrophobicContact CE2-CD2 3.35Å; F558-Y667 AromaticContact CE2-CE2 3.54Å; F558-Y667 HydrophobicContact CE2-CE2 3.54Å; F558-Y667 HydrophobicContact CE2-CG 4Å; F558-Y667 AromaticContact CG-CD2 3.87Å; F558-Y667 HydrophobicContact CG-CD2 3.87Å; F558-Y667 AromaticContact CG-CE2 3.65Å; F558-Y667 HydrophobicContact CG-CE2 3.65Å; F558-Y667 AromaticContact CZ-CD2 3.88Å; F558-Y667 HydrophobicContact CZ-CD2 3.88Å; F558-Y667 HydrophobicContact CZ-CE2 4.44Å; F558-Y667 HydrophobicContact CZ-CG 4.47Å
559	F	92.8	Very high	90.1	Very high	30 Å²	30	61.6 Å²	61.6	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-52.3	173.1	174.2	-99.6	0	0	0	111.3	D509 T512 L513 I516 K555 A556 S561 K562 V563	D509-F559 HydrophobicContact CB-CE2 4.05Å; D509-F559 HydrophobicContact CB-CZ 4.09Å; D509-F559 WeakPolarHBondContact O-CZ 3.35Å; T512-F559 HydrophobicContact CG2-CD1 3.88Å; T512-F559 HydrophobicContact CG2-CD2 3.94Å; T512-F559 HydrophobicContact CG2-CE1 3.83Å; T512-F559 HydrophobicContact CG2-CE2 3.88Å; T512-F559 HydrophobicContact CG2-CG 3.95Å; T512-F559 HydrophobicContact CG2-CZ 3.85Å; L513-F559 HydrophobicContact CB-CE1 4.07Å; L513-F559 HydrophobicContact CB-CZ 4.38Å; L513-F559 HydrophobicContact CD1-CE1 4.26Å; I516-F559 HydrophobicContact CD1-CD1 3.8Å; I516-F559 HydrophobicContact CD1-CE1 3.93Å; I516-F559 HydrophobicContact CG1-CD1 4.44Å; K555-F559 WeakPolarHBondContact O-CB 3.36Å; K555-F559 PolarHBondContact O-N 2.96Å; A556-F559 PolarHBondContact O-N 3.43Å; F559-S561 VanDerWaalsContact C-N 3.28Å; F559-S561 PolarHBondContact O-N 2.88Å; F559-K562 WeakPolarHBondContact O-CB 3.4Å; F559-K562 PolarHBondContact O-N 3.01Å; F559-K562 VanDerWaalsContact O-N 3.08Å; F559-V563 HydrophobicContact CD1-CG2 4.24Å; F559-V563 HydrophobicContact CD2-CG2 4.48Å; F559-V563 HydrophobicContact CE1-CG2 3.66Å; F559-V563 HydrophobicContact CE2-CG2 3.94Å; F559-V563 HydrophobicContact CZ-CG2 3.46Å; F559-V563 VanDerWaalsContact CZ-CG2 3.46Å; F559-V563 PolarHBondContact O-N 2.88Å; F559-V563 VanDerWaalsContact O-N 3.08Å
560	L	93.3	Very high	90.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-54.7	-43.1	175	-79.6	169	0	0	0	112.5	L482 L513 I516 I520 L545 A556 L557 K562 V563 I564	L482-L560 HydrophobicContact CD2-CD1 3.77Å; L482-L560 HydrophobicContact CD2-CD2 3.85Å; L482-L560 HydrophobicContact CD2-CG 4.48Å; L513-L560 HydrophobicContact CD1-CD2 4.22Å; I516-L560 HydrophobicContact CD1-CD1 4.11Å; I516-L560 HydrophobicContact CD1-CD2 3.27Å; I516-L560 HydrophobicContact CD1-CG 3.51Å; I516-L560 HydrophobicContact CG2-CD1 3.97Å; I516-L560 HydrophobicContact CG2-CG 4.46Å; I520-L560 HydrophobicContact CB-CD1 4.48Å; I520-L560 HydrophobicContact CD1-CD1 4.03Å; I520-L560 HydrophobicContact CG2-CD1 3.73Å; L545-L560 HydrophobicContact CD1-CB 3.98Å; L545-L560 HydrophobicContact CD1-CD1 4.46Å; A556-L560 WeakPolarHBondContact O-CB 3.3Å; A556-L560 WeakPolarHBondContact O-CG 3.38Å; A556-L560 PolarHBondContact O-N 3.08Å; L557-L560 PolarHBondContact O-N 3.4Å; L560-K562 PolarHBondContact O-N 3.48Å; L560-V563 PolarHBondContact O-N 3.13Å; L560-I564 HydrophobicContact CB-CD1 4.24Å; L560-I564 WeakPolarHBondContact O-CB 3.37Å; L560-I564 WeakPolarHBondContact O-CD1 3.46Å; L560-I564 WeakPolarHBondContact O-CG1 3.3Å; L560-I564 PolarHBondContact O-N 2.89Å
561	S	92.8	Very high	90.7	Very high	29 Å²	29	50.5 Å²	50.5	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-58.3	-36.6	-179.4	76.9	0	0	0	0	112.5	L557 F558 F559 V565	L557-S561 WeakPolarHBondContact O-CB 3.46Å; L557-S561 PolarHBondContact O-N 2.9Å; F558-S561 PolarHBondContact O-N 3.3Å; F558-S561 PolarHBondContact O-OG 2.93Å; F559-S561 VanDerWaalsContact C-N 3.28Å; F559-S561 PolarHBondContact O-N 2.88Å; S561-V565 VanDerWaalsContact O-CG2 3.32Å; S561-V565 WeakPolarHBondContact O-CG2 3.37Å; S561-V565 PolarHBondContact O-N 3.37Å
562	K	89.3	Confident	91	Very high	153 Å²	153	43.6 Å²	43.6	67%	0.665	21%	0.206	S	C	*	.	H	α-helix	trans	-72.9	-46.3	176.4	-63.5	178.5	-177.7	-179.4	0	111.1	F558 F559 L560 V565 R566	F558-K562 PolarHBondContact O-N 3.18Å; F559-K562 WeakPolarHBondContact O-CB 3.4Å; F559-K562 PolarHBondContact O-N 3.01Å; F559-K562 VanDerWaalsContact O-N 3.08Å; L560-K562 PolarHBondContact O-N 3.48Å; K562-V565 PolarHBondContact O-N 3.45Å; K562-R566 WeakPolarHBondContact O-CB 3.35Å; K562-R566 PolarHBondContact O-N 3.37Å
563	V	90.7	Very high	91.3	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-48.8	179.1	172	0	0	0	0	111.1	L505 L513 F559 L560 V565 R566 L567	L505-V563 HydrophobicContact CD1-CG1 4.01Å; L505-V563 HydrophobicContact CD2-CG1 4.35Å; L505-V563 HydrophobicContact CD2-CG2 4.22Å; L513-V563 HydrophobicContact CD1-CG1 4.25Å; F559-V563 HydrophobicContact CD1-CG2 4.24Å; F559-V563 HydrophobicContact CD2-CG2 4.48Å; F559-V563 HydrophobicContact CE1-CG2 3.66Å; F559-V563 HydrophobicContact CE2-CG2 3.94Å; F559-V563 HydrophobicContact CZ-CG2 3.46Å; F559-V563 VanDerWaalsContact CZ-CG2 3.46Å; F559-V563 PolarHBondContact O-N 2.88Å; F559-V563 VanDerWaalsContact O-N 3.08Å; L560-V563 PolarHBondContact O-N 3.13Å; V563-V565 PolarHBondContact O-N 3.35Å; V563-R566 PolarHBondContact O-N 2.86Å; V563-L567 HydrophobicContact CG1-CD1 3.53Å; V563-L567 HydrophobicContact CG1-CG 4.29Å; V563-L567 VanDerWaalsContact O-CG 3.31Å; V563-L567 WeakPolarHBondContact O-CG 3.34Å; V563-L567 PolarHBondContact O-N 3.24Å
564	I	92.9	Very high	91.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-48.9	-178.7	-71.3	165.7	0	0	0	111	L478 V543 L545 L560 R566 L567 L568 V571 V574	L478-I564 HydrophobicContact CD1-CD1 3.83Å; L478-I564 HydrophobicContact CD1-CG1 3.99Å; L478-I564 HydrophobicContact CD1-CG2 4.26Å; V543-I564 HydrophobicContact CB-CG2 4.46Å; V543-I564 HydrophobicContact CG1-CD1 4.35Å; V543-I564 HydrophobicContact CG2-CG2 4.18Å; L545-I564 HydrophobicContact CD1-CD1 4.45Å; L545-I564 HydrophobicContact CD2-CD1 3.82Å; L560-I564 HydrophobicContact CB-CD1 4.24Å; L560-I564 WeakPolarHBondContact O-CB 3.37Å; L560-I564 WeakPolarHBondContact O-CD1 3.46Å; L560-I564 WeakPolarHBondContact O-CG1 3.3Å; L560-I564 PolarHBondContact O-N 2.89Å; I564-R566 VanDerWaalsContact C-N 3.32Å; I564-R566 PolarHBondContact O-N 3.42Å; I564-L567 PolarHBondContact O-N 3.2Å; I564-L568 HydrophobicContact CG2-CD1 4.22Å; I564-L568 WeakPolarHBondContact O-CB 3.32Å; I564-L568 PolarHBondContact O-N 3.48Å; I564-V571 HydrophobicContact CG2-CG1 4.12Å; I564-V574 HydrophobicContact CB-CG2 4.27Å; I564-V574 HydrophobicContact CG2-CG2 3.98Å
565	V	89.9	Confident	91.7	Very high	40 Å²	40	46.5 Å²	46.5	24%	0.242	22%	0.22	C	C	.	.	H	α-helix	trans	-70.2	-30.4	-178.4	177.1	0	0	0	0	111.9	S561 K562 V563 V571 V574	S561-V565 VanDerWaalsContact O-CG2 3.32Å; S561-V565 WeakPolarHBondContact O-CG2 3.37Å; S561-V565 PolarHBondContact O-N 3.37Å; K562-V565 PolarHBondContact O-N 3.45Å; V563-V565 PolarHBondContact O-N 3.35Å; V565-V571 HydrophobicContact CG2-CG1 4.43Å; V565-V574 HydrophobicContact CG2-CG2 3.76Å
566	R	86.8	Confident	91.9	Very high	129 Å²	129	40.4 Å²	40.4	49%	0.487	19%	0.193	S	C	.	.	H	α-helix	trans	-68.6	-42	175.3	178.1	176.8	-106.3	174.2	-6	111.9	H504 D509 K562 V563 I564 Q569	H504-R566 WeakPolarHBondContact O-CD 3.43Å; D509-R566 IonicContact OD2-NH1 3.76Å; K562-R566 WeakPolarHBondContact O-CB 3.35Å; K562-R566 PolarHBondContact O-N 3.37Å; V563-R566 PolarHBondContact O-N 2.86Å; I564-R566 VanDerWaalsContact C-N 3.32Å; I564-R566 PolarHBondContact O-N 3.42Å; R566-Q569 PolarHBondContact O-NE2 2.96Å
567	L	87.9	Confident	91.9	Very high	16 Å²	16	40 Å²	40	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-82	-43.3	-177.7	-64.2	171.8	0	0	0	112.5	I481 L501 H504 L505 V563 I564	I481-L567 HydrophobicContact CD1-CD1 3.79Å; I481-L567 HydrophobicContact CG1-CD1 4.35Å; L501-L567 HydrophobicContact CD2-CD1 3.3Å; L501-L567 HydrophobicContact CD2-CD2 3.98Å; L501-L567 HydrophobicContact CD2-CG 4.28Å; H504-L567 HydrophobicContact CB-CD2 3.84Å; L505-L567 HydrophobicContact CD1-CD1 4.39Å; L505-L567 HydrophobicContact CG-CD2 4.4Å; V563-L567 HydrophobicContact CG1-CD1 3.53Å; V563-L567 HydrophobicContact CG1-CG 4.29Å; V563-L567 VanDerWaalsContact O-CG 3.31Å; V563-L567 WeakPolarHBondContact O-CG 3.34Å; V563-L567 PolarHBondContact O-N 3.24Å; I564-L567 PolarHBondContact O-N 3.2Å
568	L	90.5	Very high	91.7	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.084	20%	0.202	C	C	.	.			trans	-100.7	91.5	-174.8	-57.1	-178.3	0	0	0	110.4	T474 V477 L478 I564 N570 V571	T474-L568 HydrophobicContact CG2-CD1 4.09Å; V477-L568 HydrophobicContact CB-CD2 4.27Å; V477-L568 HydrophobicContact CG1-CD2 3.76Å; L478-L568 HydrophobicContact CB-CD1 4.32Å; L478-L568 HydrophobicContact CD1-CD1 4.4Å; I564-L568 HydrophobicContact CG2-CD1 4.22Å; I564-L568 WeakPolarHBondContact O-CB 3.32Å; I564-L568 PolarHBondContact O-N 3.48Å; L568-N570 PolarHBondContact O-N 3.49Å; L568-N570 VanDerWaalsContact O-N 3.12Å; L568-V571 HydrophobicContact CB-CB 4.09Å; L568-V571 HydrophobicContact CB-CG2 3.79Å; L568-V571 HydrophobicContact CD1-CG2 4.13Å; L568-V571 WeakPolarHBondContact O-CB 3.27Å; L568-V571 PolarHBondContact O-N 2.98Å
569	Q	85.8	Confident	91.3	Very high	142 Å²	142	44.1 Å²	44.1	66%	0.664	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.1	-178.1	-62.6	-61.5	-35.8	0	0	113.8	R566 V571	R566-Q569 PolarHBondContact O-NE2 2.96Å; Q569-V571 VanDerWaalsContact C-N 3.28Å
570	N	92	Very high	91	Very high	43 Å²	43	48.2 Å²	48.2	23%	0.23	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	7.3	173.9	68.7	-21.6	0	0	0	113.6	T474 S540 F541 L568	T474-N570 PolarHBondContact OG1-ND2 2.95Å; S540-N570 WeakPolarHBondContact CB-O 3.38Å; S540-N570 WeakPolarHBondContact OG-CA 3.4Å; S540-N570 PolarHBondContact OG-O 3.26Å; F541-N570 WeakPolarHBondContact CB-O 3.26Å; F541-N570 HydrophobicContact CD2-CB 4.29Å; F541-N570 WeakPolarHBondContact CD2-O 3.46Å; F541-N570 PolarHBondContact N-O 2.98Å; L568-N570 PolarHBondContact O-N 3.49Å; L568-N570 VanDerWaalsContact O-N 3.12Å
571	V	94.1	Very high	90.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.4	171.7	177.7	0	0	0	0	108.4	T474 L524 Q533 F541 V543 I564 V565 L568 Q569 R573 V574	T474-V571 HydrophobicContact CG2-CG2 4.26Å; L524-V571 HydrophobicContact CD1-CG2 4.12Å; Q533-V571 PolarHBondContact NE2-O 3.3Å; Q533-V571 VanDerWaalsContact NE2-O 3.14Å; F541-V571 HydrophobicContact CB-CG2 4.29Å; V543-V571 HydrophobicContact CB-CG1 4.19Å; V543-V571 HydrophobicContact CG2-CB 4.36Å; V543-V571 HydrophobicContact CG2-CG1 3.64Å; V543-V571 HydrophobicContact CG2-CG2 3.74Å; I564-V571 HydrophobicContact CG2-CG1 4.12Å; V565-V571 HydrophobicContact CG2-CG1 4.43Å; L568-V571 HydrophobicContact CB-CB 4.09Å; L568-V571 HydrophobicContact CB-CG2 3.79Å; L568-V571 HydrophobicContact CD1-CG2 4.13Å; L568-V571 WeakPolarHBondContact O-CB 3.27Å; L568-V571 PolarHBondContact O-N 2.98Å; Q569-V571 VanDerWaalsContact C-N 3.28Å; V571-R573 WeakPolarHBondContact CG1-O 3.3Å; V571-V574 HydrophobicContact CG1-CG2 4.38Å
572	N	92.7	Very high	90.7	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-10.5	178.9	70.3	2.2	0	0	0	114	S529 G531 Q533 S538 S540 F541	S529-N572 PolarHBondContact O-ND2 3.28Å; G531-N572 WeakPolarHBondContact CA-ND2 3.44Å; G531-N572 PolarHBondContact N-ND2 2.77Å; Q533-N572 HydrophobicContact CG-CB 4.43Å; S538-N572 PolarHBondContact O-ND2 3.2Å; S538-N572 VanDerWaalsContact OG-CB 3.23Å; S538-N572 WeakPolarHBondContact OG-CB 3.49Å; S538-N572 PolarHBondContact OG-ND2 2.82Å; S540-N572 PolarHBondContact N-ND2 3.23Å; S540-N572 PolarHBondContact O-OD1 3.33Å; F541-N572 PolarHBondContact O-N 3.1Å; F541-N572 VanDerWaalsContact O-N 3.09Å; F541-N572 PolarHBondContact O-OD1 2.84Å
573	R	94.2	Very high	90.5	Very high	56 Å²	56	47.7 Å²	47.7	21%	0.211	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.6	-179.6	-68.8	-68.7	-177.8	-140.1	-6.7	109.4	V530 V542 V543 V571 R653	V530-R573 PolarHBondContact O-NH2 3.15Å; V530-R573 VanDerWaalsContact O-NH2 3.12Å; V542-R573 CarbonylContact C-O 3.6Å; V542-R573 WeakPolarHBondContact CA-O 3.29Å; V542-R573 HydrophobicContact CB-CB 4.37Å; V542-R573 HydrophobicContact CG1-CB 3.97Å; V542-R573 HydrophobicContact CG2-CB 4.1Å; V543-R573 PolarHBondContact N-O 3.01Å; V571-R573 WeakPolarHBondContact CG1-O 3.3Å; R573-R653 VanDerWaalsContact CZ-NH1 3.34Å
574	V	95.9	Very high	90.1	Very high	35 Å²	35	52.2 Å²	52.2	21%	0.212	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.6	167.7	-175.7	0	0	0	0	106.8	V543 L545 I564 V565 V571	V543-V574 HydrophobicContact CB-CG2 4.35Å; V543-V574 HydrophobicContact CG1-CG1 4.48Å; V543-V574 CarbonylContact O-C 3.57Å; V543-V574 VanDerWaalsContact O-CA 3.27Å; V543-V574 WeakPolarHBondContact O-CA 3.33Å; L545-V574 HydrophobicContact CD1-CG1 3.59Å; L545-V574 HydrophobicContact CD2-CG1 4.41Å; L545-V574 HydrophobicContact CG-CG1 3.59Å; I564-V574 HydrophobicContact CB-CG2 4.27Å; I564-V574 HydrophobicContact CG2-CG2 3.98Å; V565-V574 HydrophobicContact CG2-CG2 3.76Å; V571-V574 HydrophobicContact CG1-CG2 4.38Å
575	V	95.5	Very high	89.8	Confident	33 Å²	33	54.2 Å²	54.2	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153	178.9	-60.6	0	0	0	0	109.3	V542 V543 A544 L545	V542-V575 HydrophobicContact CG1-CG1 3.98Å; V542-V575 HydrophobicContact CG1-CG2 4.01Å; V543-V575 PolarHBondContact O-N 3.35Å; A544-V575 CarbonylContact C-O 3.59Å; A544-V575 WeakPolarHBondContact CA-O 3.49Å; A544-V575 HydrophobicContact CB-CG2 4.1Å; L545-V575 PolarHBondContact N-O 2.97Å
576	Y	94.2	Very high	89.7	Confident	46 Å²	46	52.3 Å²	52.3	18%	0.18	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.6	168.9	174.5	-106.1	0	0	0	109.4	L545 T547 T552 W554 L557 F578	L545-Y576 CarbonylContact O-C 3.52Å; L545-Y576 WeakPolarHBondContact O-CA 3.47Å; L545-Y576 WeakPolarHBondContact O-CD2 3.48Å; T547-Y576 HydrophobicContact CG2-CE2 3.96Å; T552-Y576 HydrophobicContact CG2-CE1 4.13Å; T552-Y576 HydrophobicContact CG2-CE2 3.99Å; W554-Y576 AromaticContact CH2-CD1 3.6Å; W554-Y576 HydrophobicContact CH2-CD1 3.6Å; W554-Y576 AromaticContact CH2-CE1 3.83Å; W554-Y576 HydrophobicContact CH2-CE1 3.83Å; W554-Y576 HydrophobicContact CH2-CG 4.25Å; W554-Y576 AromaticContact CZ3-CD1 3.9Å; W554-Y576 HydrophobicContact CZ3-CD1 3.9Å; W554-Y576 HydrophobicContact CZ3-CE1 4.42Å; W554-Y576 HydrophobicContact CZ3-CG 4.08Å; L557-Y576 HydrophobicContact CD1-CD2 3.6Å; L557-Y576 HydrophobicContact CD1-CE2 3.8Å; L557-Y576 HydrophobicContact CD1-CG 4.29Å; L557-Y576 HydrophobicContact CD2-CD2 4.33Å; Y576-F578 HydrophobicContact CD1-CD1 4.22Å; Y576-F578 HydrophobicContact CD1-CD2 4.16Å; Y576-F578 HydrophobicContact CD1-CE1 4.09Å; Y576-F578 HydrophobicContact CD1-CE2 4.04Å; Y576-F578 HydrophobicContact CD1-CG 4.25Å; Y576-F578 AromaticContact CD1-CZ 4Å; Y576-F578 HydrophobicContact CD1-CZ 4Å; Y576-F578 AromaticContact CE1-CD1 3.77Å; Y576-F578 HydrophobicContact CE1-CD1 3.77Å; Y576-F578 HydrophobicContact CE1-CD2 4.43Å; Y576-F578 AromaticContact CE1-CE1 3.89Å; Y576-F578 HydrophobicContact CE1-CE1 3.89Å; Y576-F578 HydrophobicContact CE1-CG 4.05Å; Y576-F578 HydrophobicContact CE1-CZ 4.27Å
577	V	92.9	Very high	89.8	Confident	11 Å²	11	48 Å²	48	7%	0.067	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-94.9	120.3	175.7	-176.4	0	0	0	0	108.1	A544 L545 V582 F634	A544-V577 HydrophobicContact CB-CG2 3.64Å; L545-V577 PolarHBondContact O-N 3.07Å; V577-V582 HydrophobicContact CB-CG2 4.4Å; V577-V582 HydrophobicContact CG1-CG2 4.04Å; V577-F634 HydrophobicContact CG1-CD1 4.38Å; V577-F634 HydrophobicContact CG1-CD2 3.7Å; V577-F634 HydrophobicContact CG1-CE2 3.87Å; V577-F634 HydrophobicContact CG1-CG 3.97Å; V577-F634 HydrophobicContact CG1-CZ 4.28Å; V577-F634 HydrophobicContact CG2-CD2 4.49Å; V577-F634 HydrophobicContact CG2-CE1 3.96Å; V577-F634 HydrophobicContact CG2-CE2 3.9Å; V577-F634 HydrophobicContact CG2-CZ 3.59Å
578	F	88.9	Confident	89.9	Confident	76 Å²	76	47.9 Å²	47.9	33%	0.333	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-77.2	144.8	172.6	-69	-89.1	0	0	0	110.4	W554 Y576 N677 A681	W554-F578 HydrophobicContact CH2-CE1 4.18Å; W554-F578 HydrophobicContact CH2-CZ 4.08Å; W554-F578 HydrophobicContact CZ2-CE1 4.46Å; Y576-F578 HydrophobicContact CD1-CD1 4.22Å; Y576-F578 HydrophobicContact CD1-CD2 4.16Å; Y576-F578 HydrophobicContact CD1-CE1 4.09Å; Y576-F578 HydrophobicContact CD1-CE2 4.04Å; Y576-F578 HydrophobicContact CD1-CG 4.25Å; Y576-F578 AromaticContact CD1-CZ 4Å; Y576-F578 HydrophobicContact CD1-CZ 4Å; Y576-F578 AromaticContact CE1-CD1 3.77Å; Y576-F578 HydrophobicContact CE1-CD1 3.77Å; Y576-F578 HydrophobicContact CE1-CD2 4.43Å; Y576-F578 AromaticContact CE1-CE1 3.89Å; Y576-F578 HydrophobicContact CE1-CE1 3.89Å; Y576-F578 HydrophobicContact CE1-CG 4.05Å; Y576-F578 HydrophobicContact CE1-CZ 4.27Å; F578-N677 HydrophobicContact CE1-CB 3.89Å; F578-N677 HydrophobicContact CZ-CB 3.85Å; F578-A681 HydrophobicContact CB-CB 4.15Å; F578-A681 HydrophobicContact CD1-CB 4.39Å; F578-A681 HydrophobicContact CG-CB 4.13Å
579	G	85.1	Confident	90	Very high	58 Å²	58	47.7 Å²	47.7	60%	0.598	25%	0.251	S	S	*	.	S	Bend	trans	106.1	-153.2	-177.5	0	0	0	0	0	112.1
580	T	85.6	Confident	90.4	Very high	117 Å²	117	41 Å²	41	72%	0.718	22%	0.221	S	C	*	.	S	Bend	trans	-68.2	147.8	-179.8	52.6	0	0	0	0	111.8	V582	T580-V582 PolarHBondContact O-N 2.87Å
581	A	89.8	Confident	90.5	Very high	13 Å²	13	43 Å²	43	11%	0.107	24%	0.235	C	C	.	.			trans	-59.7	136.7	178.2	0	0	0	0	0	112.8	F521 D548 R583	F521-A581 HydrophobicContact CD2-CB 3.5Å; F521-A581 VanDerWaalsContact CD2-CB 3.5Å; F521-A581 HydrophobicContact CE2-CB 3.8Å; F521-A581 HydrophobicContact CG-CB 4.39Å; D548-A581 HydrophobicContact CB-CB 4.34Å; D548-A581 WeakPolarHBondContact OD1-CB 3.5Å; D548-A581 PolarHBondContact OD1-N 2.79Å; D548-A581 WeakPolarHBondContact OD2-CB 3.3Å; A581-R583 PolarHBondContact O-N 2.69Å
582	V	89.8	Confident	90.7	Very high	20 Å²	20	43 Å²	43	12%	0.121	24%	0.236	C	C	.	.			trans	-87	95.3	178.1	-175.4	0	0	0	0	108.6	S546 V577 T580 V586 F634	S546-V582 PolarHBondContact OG-N 3.08Å; V577-V582 HydrophobicContact CB-CG2 4.4Å; V577-V582 HydrophobicContact CG1-CG2 4.04Å; T580-V582 PolarHBondContact O-N 2.87Å; V582-V586 HydrophobicContact CG1-CG2 4.23Å; V582-F634 HydrophobicContact CG1-CD1 4.1Å; V582-F634 HydrophobicContact CG2-CB 4.3Å; V582-F634 HydrophobicContact CG2-CD1 3.61Å; V582-F634 HydrophobicContact CG2-CE1 4.22Å; V582-F634 HydrophobicContact CG2-CG 4.13Å
583	R	85.2	Confident	90.8	Very high	137 Å²	137	45 Å²	45	52%	0.517	24%	0.244	S	C	.	.			trans	-88.8	-20.9	-176.5	-65.6	172.3	177.3	-95.6	0.4	113.9	F521 D548 A581	F521-R583 HydrophobicContact CD1-CG 4.26Å; F521-R583 HydrophobicContact CE1-CG 4.18Å; F521-R583 HydrophobicContact CZ-CG 4.37Å; F521-R583 VanDerWaalsContact CZ-CZ 3.43Å; F521-R583 VanDerWaalsContact CZ-NH1 3.28Å; D548-R583 IonicContact OD2-CZ 2.81Å; D548-R583 IonicContact OD2-NE 2.89Å; D548-R583 PolarHBondContact OD2-NE 3.13Å; D548-R583 IonicContact OD2-NH2 3.79Å; D548-R583 PolarHBondContact OD2-NH2 2.82Å; A581-R583 PolarHBondContact O-N 2.69Å
584	H	83.3	Confident	90.9	Very high	98 Å²	98	42.3 Å²	42.3	45%	0.454	23%	0.234	S	C	.	.	S	Bend	trans	-106.2	147.8	-177	-59	-60.4	0	0	0	111.7
585	P	85	Confident	90.9	Very high	43 Å²	43	42.7 Å²	42.7	28%	0.279	24%	0.236	S	C	.	.			trans	-64.7	139.9	177.8	28.4	-34.5	0	0	0	111.2	L587	P585-L587 HydrophobicContact CB-CD2 4.25Å; P585-L587 HydrophobicContact CB-CG 4.19Å; P585-L587 HydrophobicContact CG-CD1 4.45Å
586	V	88.9	Confident	90.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	26%	0.257	C	S	.	.			trans	-91.9	109.2	174.5	171.1	0	0	0	0	107.4	T523 L525 P526 V582 I632 F634	T523-V586 HydrophobicContact CG2-CB 3.98Å; T523-V586 HydrophobicContact CG2-CG2 3.89Å; L525-V586 HydrophobicContact CD2-CB 4.45Å; L525-V586 HydrophobicContact CD2-CG1 4.34Å; P526-V586 VanDerWaalsContact CD-O 3.3Å; P526-V586 WeakPolarHBondContact CD-O 3.11Å; P526-V586 HydrophobicContact CG-CG1 4.07Å; P526-V586 WeakPolarHBondContact CG-O 3.27Å; V582-V586 HydrophobicContact CG1-CG2 4.23Å; V586-I632 HydrophobicContact CG1-CD1 4.03Å; V586-I632 HydrophobicContact CG1-CG2 4.02Å; V586-F634 HydrophobicContact CG2-CD1 4.13Å; V586-F634 HydrophobicContact CG2-CE1 4.14Å
587	L	89.2	Confident	90.8	Very high	39 Å²	39	46.8 Å²	46.8	20%	0.204	27%	0.273	C	S	.	.			trans	-119.5	1.7	-173	-60.4	-179.3	0	0	0	114.4	I467 F471 P585	I467-L587 HydrophobicContact CD1-CB 4.41Å; I467-L587 HydrophobicContact CD1-CD2 4.39Å; I467-L587 WeakPolarHBondContact CD1-O 3.45Å; F471-L587 HydrophobicContact CE1-CD2 3.69Å; F471-L587 HydrophobicContact CZ-CD2 4.34Å; P585-L587 HydrophobicContact CB-CD2 4.25Å; P585-L587 HydrophobicContact CB-CG 4.19Å; P585-L587 HydrophobicContact CG-CD1 4.45Å
588	D	89.7	Confident	90.9	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.064	27%	0.271	C	S	.	.			trans	-129.6	170.8	175.5	64.8	-8.7	0	0	0	110.6	R636 K642 S643	D588-R636 IonicContact OD1-CZ 3.38Å; D588-R636 IonicContact OD1-NH1 3.27Å; D588-R636 PolarHBondContact OD1-NH1 2.79Å; D588-R636 IonicContact OD1-NH2 3.36Å; D588-R636 PolarHBondContact OD1-NH2 3.02Å; D588-K642 HydrophobicContact CB-CG 4.35Å; D588-K642 VanDerWaalsContact OD2-CA 3.31Å; D588-K642 WeakPolarHBondContact OD2-CA 3.36Å; D588-S643 PolarHBondContact OD2-N 3.08Å
589	I	93	Very high	91.3	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.062	26%	0.257	C	S	.	.			trans	-137.4	161.7	179.9	67.3	162.6	0	0	0	108.8	R462 E464 P465 P526 I527 P591 P631 I632	R462-I589 HydrophobicContact CB-CD1 3.59Å; R462-I589 HydrophobicContact CG-CD1 3.57Å; E464-I589 VanDerWaalsContact C-CD1 3.42Å; E464-I589 WeakPolarHBondContact O-CD1 3.49Å; P465-I589 HydrophobicContact CB-CG2 4.16Å; P465-I589 HydrophobicContact CG-CG1 4.1Å; P465-I589 HydrophobicContact CG-CG2 4.28Å; P526-I589 HydrophobicContact CG-CG2 3.85Å; I527-I589 HydrophobicContact CG2-CG2 4.01Å; I589-P591 WeakPolarHBondContact O-CD 3.5Å; I589-P631 CarbonylContact C-O 3.47Å; I589-P631 VanDerWaalsContact CA-O 3.29Å; I589-P631 WeakPolarHBondContact CA-O 3.35Å; I589-P631 VanDerWaalsContact CB-O 3.27Å; I589-P631 WeakPolarHBondContact CB-O 3.4Å; I589-I632 HydrophobicContact CB-CD1 4.43Å; I589-I632 HydrophobicContact CG2-CD1 3.73Å
590	T	93.6	Very high	91.8	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	25%	0.249	C	C	.	.			trans	-83.8	113.4	165.5	-60.7	0	0	0	0	108.6	T592 P631 S645 K647 W648	T590-T592 PolarHBondContact O-N 3.22Å; T590-T592 VanDerWaalsContact O-N 3.08Å; T590-T592 PolarHBondContact O-OG1 2.78Å; T590-P631 PolarHBondContact N-O 2.74Å; T590-P631 VanDerWaalsContact O-CB 3.26Å; T590-P631 WeakPolarHBondContact O-CB 3.23Å; T590-S645 WeakPolarHBondContact CG2-O 3.46Å; T590-K647 WeakPolarHBondContact CB-O 3.46Å; T590-K647 PolarHBondContact OG1-O 3.36Å; T590-W648 HydrophobicContact CG2-CD2 4.49Å; T590-W648 HydrophobicContact CG2-CZ2 3.95Å
591	P	94.9	Very high	92.3	Very high	83 Å²	83	41.8 Å²	41.8	54%	0.539	23%	0.23	S	C	.	.			trans	-56	119	178.4	-25.9	36.1	0	0	0	110.8	R462 I589	R462-P591 CarbonylContact O-C 3.3Å; R462-P591 WeakPolarHBondContact O-CA 3.45Å; I589-P591 WeakPolarHBondContact O-CD 3.5Å
592	T	96.4	Very high	92.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-131	121.8	-167	-60.2	0	0	0	0	111.1	I459 C461 R462 T590 V598 L629 P631 W648	I459-T592 HydrophobicContact CG2-CG2 4.11Å; C461-T592 CarbonylContact C-O 3.37Å; C461-T592 VanDerWaalsContact CA-O 3.25Å; C461-T592 WeakPolarHBondContact CA-O 3.42Å; C461-T592 WeakPolarHBondContact CB-O 3.45Å; R462-T592 PolarHBondContact N-O 3.3Å; R462-T592 PolarHBondContact O-N 3.11Å; T590-T592 PolarHBondContact O-N 3.22Å; T590-T592 VanDerWaalsContact O-N 3.08Å; T590-T592 PolarHBondContact O-OG1 2.78Å; T592-V598 HydrophobicContact CG2-CG1 3.88Å; T592-V598 HydrophobicContact CG2-CG2 4.38Å; T592-L629 HydrophobicContact CG2-CD2 4.48Å; T592-P631 WeakPolarHBondContact OG1-CB 3.05Å; T592-W648 PolarHBondContact OG1-NE1 3.49Å
593	F	96.2	Very high	92.9	Very high	50 Å²	50	42.9 Å²	42.9	22%	0.219	23%	0.23	C	C	.	.			trans	-115.7	169.4	168.6	-73.8	-62.4	0	0	0	109.6	N340 R341 V343 I463 T595	N340-F593 WeakPolarHBondContact O-CB 3.42Å; R341-F593 HydrophobicContact CB-CE1 4.42Å; R341-F593 VanDerWaalsContact O-CE1 3.24Å; R341-F593 WeakPolarHBondContact O-CE1 3.17Å; V343-F593 HydrophobicContact CG1-CD1 4.3Å; V343-F593 HydrophobicContact CG1-CE1 4.02Å; I463-F593 HydrophobicContact CG2-CD1 4.49Å; I463-F593 HydrophobicContact CG2-CE1 3.63Å; I463-F593 HydrophobicContact CG2-CE2 3.66Å; I463-F593 HydrophobicContact CG2-CZ 3.17Å; F593-T595 HydrophobicContact CB-CG2 4.07Å; F593-T595 PolarHBondContact O-N 2.82Å
594	L	96.4	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.			trans	-77.9	64.8	172.7	-65.5	177.3	0	0	0	109.4	F290 Y320 L339 N340 K348 A456 I459 I599	F290-L594 HydrophobicContact CE1-CB 4.31Å; F290-L594 HydrophobicContact CE1-CD1 3.93Å; F290-L594 HydrophobicContact CE1-CD2 4.43Å; F290-L594 HydrophobicContact CE1-CG 4.47Å; F290-L594 HydrophobicContact CZ-CD1 4.26Å; Y320-L594 WeakPolarHBondContact CE2-O 3.41Å; L339-L594 HydrophobicContact CD1-CD1 4.31Å; L339-L594 HydrophobicContact CG-CD1 4.14Å; N340-L594 PolarHBondContact O-N 3.46Å; K348-L594 HydrophobicContact CD-CD1 4.29Å; A456-L594 HydrophobicContact CB-CD1 3.87Å; I459-L594 HydrophobicContact CB-CD2 3.71Å; I459-L594 HydrophobicContact CD1-CD2 3.64Å; I459-L594 HydrophobicContact CG1-CD2 4.29Å; I459-L594 HydrophobicContact CG2-CD2 3.8Å; L594-I599 HydrophobicContact CB-CD1 4.26Å; L594-I599 HydrophobicContact CB-CG1 4.4Å
595	T	94.9	Very high	93.9	Very high	43 Å²	43	35.3 Å²	35.3	26%	0.264	20%	0.202	S	C	.	.			trans	-80.8	159.9	174	65.7	0	0	0	0	110.7	F593 S597 V598 I599	F593-T595 HydrophobicContact CB-CG2 4.07Å; F593-T595 PolarHBondContact O-N 2.82Å; T595-S597 PolarHBondContact O-N 3.5Å; T595-S597 PolarHBondContact OG1-OG 3.01Å; T595-V598 PolarHBondContact O-N 2.87Å; T595-V598 VanDerWaalsContact OG1-CG2 3.3Å; T595-V598 WeakPolarHBondContact OG1-CG2 3.36Å; T595-V598 PolarHBondContact OG1-N 2.83Å; T595-I599 WeakPolarHBondContact O-CD1 3.23Å; T595-I599 VanDerWaalsContact O-CG1 3.23Å; T595-I599 WeakPolarHBondContact O-CG1 3.36Å; T595-I599 PolarHBondContact O-N 2.8Å
596	S	93.6	Very high	94.4	Very high	91 Å²	91	33.5 Å²	33.5	64%	0.636	19%	0.19	S	C	*	.	H	α-helix	trans	-55	-39.6	178.4	-169.3	0	0	0	0	113.1	H600	S596-H600 VanDerWaalsContact O-CB 3.29Å; S596-H600 WeakPolarHBondContact O-CB 3.09Å; S596-H600 PolarHBondContact O-N 2.77Å
597	S	93.8	Very high	94.6	Very high	75 Å²	75	37.5 Å²	37.5	52%	0.524	21%	0.206	S	C	.	.	H	α-helix	trans	-65.9	-48	177.9	53.9	0	0	0	0	112	T595 I599 H600 T601	T595-S597 PolarHBondContact O-N 3.5Å; T595-S597 PolarHBondContact OG1-OG 3.01Å; S597-I599 PolarHBondContact O-N 3.1Å; S597-H600 WeakPolarHBondContact O-CB 3.04Å; S597-H600 PolarHBondContact O-N 3.44Å; S597-T601 PolarHBondContact O-N 2.89Å; S597-T601 PolarHBondContact O-OG1 3.49Å; S597-T601 VanDerWaalsContact O-OG1 3.08Å
598	V	96.4	Very high	94.8	Very high	3 Å²	3	38 Å²	38	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-42.8	179.7	174.1	0	0	0	0	111.4	I459 T592 T595 H600 T601 A602 L629 W648	I459-V598 HydrophobicContact CD1-CG1 4.36Å; I459-V598 HydrophobicContact CG2-CG1 3.61Å; T592-V598 HydrophobicContact CG2-CG1 3.88Å; T592-V598 HydrophobicContact CG2-CG2 4.38Å; T595-V598 PolarHBondContact O-N 2.87Å; T595-V598 VanDerWaalsContact OG1-CG2 3.3Å; T595-V598 WeakPolarHBondContact OG1-CG2 3.36Å; T595-V598 PolarHBondContact OG1-N 2.83Å; V598-H600 VanDerWaalsContact C-N 3.32Å; V598-H600 PolarHBondContact O-N 2.75Å; V598-T601 PolarHBondContact O-N 3.24Å; V598-A602 WeakPolarHBondContact O-CB 3.44Å; V598-A602 PolarHBondContact O-N 2.82Å; V598-L629 HydrophobicContact CG1-CD1 4.18Å; V598-L629 HydrophobicContact CG1-CD2 4.28Å; V598-W648 HydrophobicContact CG2-CH2 3.96Å; V598-W648 HydrophobicContact CG2-CZ2 3.56Å
599	I	96.5	Very high	94.9	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.046	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-42.7	177.2	-61.2	161	0	0	0	110	F290 Y320 L455 I459 L594 T595 S597 A602 R603	F290-I599 HydrophobicContact CD1-CD1 4.16Å; F290-I599 HydrophobicContact CD1-CG1 4.32Å; F290-I599 HydrophobicContact CD1-CG2 4.33Å; F290-I599 HydrophobicContact CE1-CD1 3.47Å; F290-I599 VanDerWaalsContact CE1-CD1 3.47Å; F290-I599 HydrophobicContact CE1-CG1 3.96Å; F290-I599 HydrophobicContact CZ-CD1 4.19Å; Y320-I599 HydrophobicContact CD2-CD1 4.2Å; Y320-I599 HydrophobicContact CE2-CD1 4.02Å; L455-I599 HydrophobicContact CD1-CG2 4.47Å; I459-I599 HydrophobicContact CD1-CB 4.42Å; I459-I599 HydrophobicContact CD1-CG1 4.04Å; L594-I599 HydrophobicContact CB-CD1 4.26Å; L594-I599 HydrophobicContact CB-CG1 4.4Å; T595-I599 WeakPolarHBondContact O-CD1 3.23Å; T595-I599 VanDerWaalsContact O-CG1 3.23Å; T595-I599 WeakPolarHBondContact O-CG1 3.36Å; T595-I599 PolarHBondContact O-N 2.8Å; S597-I599 PolarHBondContact O-N 3.1Å; I599-A602 PolarHBondContact O-N 3.42Å; I599-R603 VanDerWaalsContact O-CB 3.29Å; I599-R603 WeakPolarHBondContact O-CB 3.37Å; I599-R603 PolarHBondContact O-N 3.45Å
600	H	95.8	Very high	94.6	Very high	90 Å²	90	37.9 Å²	37.9	42%	0.417	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-51.2	176.4	-175.4	81.4	0	0	0	111.3	S596 S597 V598 A602 R603 E604	S596-H600 VanDerWaalsContact O-CB 3.29Å; S596-H600 WeakPolarHBondContact O-CB 3.09Å; S596-H600 PolarHBondContact O-N 2.77Å; S597-H600 WeakPolarHBondContact O-CB 3.04Å; S597-H600 PolarHBondContact O-N 3.44Å; V598-H600 VanDerWaalsContact C-N 3.32Å; V598-H600 PolarHBondContact O-N 2.75Å; H600-A602 PolarHBondContact O-N 2.93Å; H600-R603 WeakPolarHBondContact O-CA 3.24Å; H600-R603 WeakPolarHBondContact O-CB 3.4Å; H600-R603 PolarHBondContact O-N 3.4Å; H600-E604 IonicContact CD2-OE2 3.83Å; H600-E604 IonicContact CE1-OE1 3.77Å; H600-E604 IonicContact NE2-OE1 3.62Å; H600-E604 PolarHBondContact NE2-OE1 2.89Å; H600-E604 IonicContact NE2-OE2 2.89Å; H600-E604 WeakPolarHBondContact O-CG 3.46Å; H600-E604 PolarHBondContact O-N 3.45Å
601	T	95.4	Very high	94.3	Very high	54 Å²	54	41.7 Å²	41.7	33%	0.331	22%	0.224	S	C	.	.	H	α-helix	trans	-55.6	-47.3	176.9	-57.8	0	0	0	0	112.3	S597 V598 R603 E604 A605 L629	S597-T601 PolarHBondContact O-N 2.89Å; S597-T601 PolarHBondContact O-OG1 3.49Å; S597-T601 VanDerWaalsContact O-OG1 3.08Å; V598-T601 PolarHBondContact O-N 3.24Å; T601-R603 VanDerWaalsContact C-N 3.27Å; T601-R603 PolarHBondContact O-N 3.11Å; T601-E604 PolarHBondContact O-N 3.46Å; T601-A605 WeakPolarHBondContact O-CB 3.33Å; T601-A605 PolarHBondContact O-N 3.41Å; T601-L629 HydrophobicContact CG2-CD1 4.16Å
602	A	96.1	Very high	94	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-37.2	177.2	0	0	0	0	0	112.3	I459 V598 I599 H600 D606 L629	I459-A602 HydrophobicContact CD1-CB 3.81Å; I459-A602 HydrophobicContact CG1-CB 3.63Å; V598-A602 WeakPolarHBondContact O-CB 3.44Å; V598-A602 PolarHBondContact O-N 2.82Å; I599-A602 PolarHBondContact O-N 3.42Å; H600-A602 PolarHBondContact O-N 2.93Å; A602-D606 WeakPolarHBondContact O-CB 3.31Å; A602-D606 PolarHBondContact O-N 2.94Å; A602-L629 HydrophobicContact CB-CB 4.17Å; A602-L629 HydrophobicContact CB-CD1 3.9Å
603	R	96	Very high	93.5	Very high	52 Å²	52	38.2 Å²	38.2	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-39.5	178.3	-166.5	-178.2	-61.5	110.4	-9.4	112.2	G289 L291 K293 L455 I599 H600 T601 Y607	G289-R603 PolarHBondContact O-NH2 3.24Å; L291-R603 WeakPolarHBondContact O-CD 3.5Å; L291-R603 PolarHBondContact O-NE 2.91Å; K293-R603 HydrophobicContact CB-CG 3.92Å; K293-R603 VanDerWaalsContact N-CG 3.26Å; L455-R603 HydrophobicContact CD1-CB 3.58Å; L455-R603 HydrophobicContact CD1-CG 3.91Å; I599-R603 VanDerWaalsContact O-CB 3.29Å; I599-R603 WeakPolarHBondContact O-CB 3.37Å; I599-R603 PolarHBondContact O-N 3.45Å; H600-R603 WeakPolarHBondContact O-CA 3.24Å; H600-R603 WeakPolarHBondContact O-CB 3.4Å; H600-R603 PolarHBondContact O-N 3.4Å; T601-R603 VanDerWaalsContact C-N 3.27Å; T601-R603 PolarHBondContact O-N 3.11Å; R603-Y607 WeakPolarHBondContact O-CB 3.23Å; R603-Y607 PolarHBondContact O-N 3.04Å
604	E	95.9	Very high	92.9	Very high	69 Å²	69	39.3 Å²	39.3	32%	0.322	21%	0.208	S	C	.	.	H	α-helix	trans	-68.1	-44.2	175.6	-62.8	-148.8	127.3	0	0	111.5	K293 H600 T601 D606 Y607 I608	K293-E604 IonicContact NZ-OE1 3.48Å; K293-E604 PolarHBondContact NZ-OE1 3.41Å; H600-E604 IonicContact CD2-OE2 3.83Å; H600-E604 IonicContact CE1-OE1 3.77Å; H600-E604 IonicContact NE2-OE1 3.62Å; H600-E604 PolarHBondContact NE2-OE1 2.89Å; H600-E604 IonicContact NE2-OE2 2.89Å; H600-E604 WeakPolarHBondContact O-CG 3.46Å; H600-E604 PolarHBondContact O-N 3.45Å; T601-E604 PolarHBondContact O-N 3.46Å; E604-D606 PolarHBondContact O-N 2.83Å; E604-Y607 WeakPolarHBondContact O-CB 3.49Å; E604-Y607 PolarHBondContact O-N 2.87Å; E604-I608 WeakPolarHBondContact O-CG1 3.33Å; E604-I608 PolarHBondContact O-N 3.46Å
605	A	94.9	Very high	92.4	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-45.3	175.2	0	0	0	0	0	112.1	T601 Y607 I608 A609 V627 I650 L684	T601-A605 WeakPolarHBondContact O-CB 3.33Å; T601-A605 PolarHBondContact O-N 3.41Å; A605-Y607 VanDerWaalsContact C-N 3.34Å; A605-Y607 PolarHBondContact O-N 3Å; A605-I608 PolarHBondContact O-N 2.9Å; A605-A609 WeakPolarHBondContact O-CB 3.37Å; A605-A609 PolarHBondContact O-N 3.43Å; A605-V627 HydrophobicContact CB-CG1 4.29Å; A605-I650 HydrophobicContact CB-CD1 3.71Å; A605-I650 HydrophobicContact CB-CG1 3.89Å; A605-I650 HydrophobicContact CB-CG2 4.09Å; A605-L684 HydrophobicContact CB-CD2 3.72Å
606	D	94.8	Very high	91.8	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-42.8	174.9	-178.7	73	0	0	0	111.8	R292 L455 A602 E604 N610 V627	R292-D606 WeakPolarHBondContact CD-OD2 3.32Å; R292-D606 WeakPolarHBondContact CG-OD2 3.42Å; R292-D606 IonicContact NE-OD2 3.88Å; L455-D606 HydrophobicContact CD2-CB 4.49Å; A602-D606 WeakPolarHBondContact O-CB 3.31Å; A602-D606 PolarHBondContact O-N 2.94Å; E604-D606 PolarHBondContact O-N 2.83Å; D606-N610 WeakPolarHBondContact O-CB 3.39Å; D606-N610 PolarHBondContact O-N 3.32Å; D606-N610 PolarHBondContact O-ND2 2.6Å; D606-N610 PolarHBondContact OD1-ND2 2.77Å; D606-N610 VanDerWaalsContact OD1-ND2 3.13Å; D606-V627 HydrophobicContact CB-CB 4.13Å; D606-V627 HydrophobicContact CB-CG1 4.46Å; D606-V627 HydrophobicContact CB-CG2 4.39Å
607	Y	93.5	Very high	91.3	Very high	86 Å²	86	47.5 Å²	47.5	34%	0.337	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-48.4	176.9	178.5	-100.6	0	0	0	112.4	K293 R603 E604 A605 N610 K611	K293-Y607 HydrophobicContact CB-CD2 3.85Å; K293-Y607 HydrophobicContact CB-CG 4Å; K293-Y607 HydrophobicContact CD-CD1 4.12Å; K293-Y607 HydrophobicContact CD-CD2 4.29Å; K293-Y607 HydrophobicContact CD-CG 3.89Å; K293-Y607 HydrophobicContact CG-CD2 4.39Å; K293-Y607 HydrophobicContact CG-CG 4.43Å; R603-Y607 WeakPolarHBondContact O-CB 3.23Å; R603-Y607 PolarHBondContact O-N 3.04Å; E604-Y607 WeakPolarHBondContact O-CB 3.49Å; E604-Y607 PolarHBondContact O-N 2.87Å; A605-Y607 VanDerWaalsContact C-N 3.34Å; A605-Y607 PolarHBondContact O-N 3Å; Y607-N610 PolarHBondContact O-N 3.25Å; Y607-K611 HydrophobicContact CD1-CG 4.22Å; Y607-K611 HydrophobicContact CD2-CG 4.34Å; Y607-K611 HydrophobicContact CE1-CG 3.82Å; Y607-K611 HydrophobicContact CE2-CD 4.4Å; Y607-K611 HydrophobicContact CE2-CG 3.95Å; Y607-K611 HydrophobicContact CG-CG 4.47Å; Y607-K611 WeakPolarHBondContact O-CB 3.42Å; Y607-K611 WeakPolarHBondContact O-CG 3.36Å; Y607-K611 PolarHBondContact O-N 3.16Å; Y607-K611 VanDerWaalsContact OH-CE 3.3Å; Y607-K611 WeakPolarHBondContact OH-CE 3.32Å
608	I	93	Very high	90.7	Very high	49 Å²	49	44.1 Å²	44.1	25%	0.251	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-50.3	179	-69	166.3	0	0	0	110.1	E604 A605 N610 K611 V612 M683 L684	E604-I608 WeakPolarHBondContact O-CG1 3.33Å; E604-I608 PolarHBondContact O-N 3.46Å; A605-I608 PolarHBondContact O-N 2.9Å; I608-N610 VanDerWaalsContact C-N 3.34Å; I608-N610 PolarHBondContact O-N 3.18Å; I608-K611 PolarHBondContact O-N 3.47Å; I608-K611 VanDerWaalsContact O-N 3.13Å; I608-V612 HydrophobicContact CG2-CG2 4.41Å; I608-V612 WeakPolarHBondContact O-CG2 3.43Å; I608-V612 PolarHBondContact O-N 3.49Å; I608-M683 HydrophobicContact CG2-CB 3.83Å; I608-L684 HydrophobicContact CB-CD2 4.09Å; I608-L684 HydrophobicContact CD1-CD2 4.48Å; I608-L684 HydrophobicContact CG2-CD2 4.07Å; I608-L684 HydrophobicContact CG2-CG 4.33Å
609	A	90.7	Very high	89.8	Confident	3 Å²	3	48.6 Å²	48.6	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-42	-179.4	0	0	0	0	0	112.7	A605 V612 A613 V627 L652	A605-A609 WeakPolarHBondContact O-CB 3.37Å; A605-A609 PolarHBondContact O-N 3.43Å; A609-V612 PolarHBondContact O-N 3.06Å; A609-A613 WeakPolarHBondContact O-CB 3.41Å; A609-A613 PolarHBondContact O-N 3.18Å; A609-V627 HydrophobicContact CB-CG2 3.61Å; A609-L652 HydrophobicContact CB-CD2 3.69Å
610	N	88	Confident	88.9	Confident	18 Å²	18	56.7 Å²	56.7	10%	0.096	27%	0.267	C	S	.	.	H	α-helix	trans	-70.4	-32.9	177.3	-78.5	-86.1	0	0	0	112.3	R292 D606 Y607 I608 A613 E614	R292-N610 PolarHBondContact NH1-OD1 3.31Å; D606-N610 WeakPolarHBondContact O-CB 3.39Å; D606-N610 PolarHBondContact O-N 3.32Å; D606-N610 PolarHBondContact O-ND2 2.6Å; D606-N610 PolarHBondContact OD1-ND2 2.77Å; D606-N610 VanDerWaalsContact OD1-ND2 3.13Å; Y607-N610 PolarHBondContact O-N 3.25Å; I608-N610 VanDerWaalsContact C-N 3.34Å; I608-N610 PolarHBondContact O-N 3.18Å; N610-A613 PolarHBondContact O-N 3.46Å; N610-E614 WeakPolarHBondContact O-CB 3.43Å; N610-E614 PolarHBondContact O-N 2.77Å
611	K	88	Confident	88.2	Confident	84 Å²	84	55.4 Å²	55.4	37%	0.365	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-41.1	174	-79.9	-73.6	165.5	-161.3	0	112	Y607 I608 E614 V615	Y607-K611 HydrophobicContact CD1-CG 4.22Å; Y607-K611 HydrophobicContact CD2-CG 4.34Å; Y607-K611 HydrophobicContact CE1-CG 3.82Å; Y607-K611 HydrophobicContact CE2-CD 4.4Å; Y607-K611 HydrophobicContact CE2-CG 3.95Å; Y607-K611 HydrophobicContact CG-CG 4.47Å; Y607-K611 WeakPolarHBondContact O-CB 3.42Å; Y607-K611 WeakPolarHBondContact O-CG 3.36Å; Y607-K611 PolarHBondContact O-N 3.16Å; Y607-K611 VanDerWaalsContact OH-CE 3.3Å; Y607-K611 WeakPolarHBondContact OH-CE 3.32Å; I608-K611 PolarHBondContact O-N 3.47Å; I608-K611 VanDerWaalsContact O-N 3.13Å; K611-E614 IonicContact NZ-OE2 3.72Å; K611-E614 PolarHBondContact NZ-OE2 3.44Å; K611-E614 WeakPolarHBondContact O-CB 3.36Å; K611-E614 PolarHBondContact O-N 2.88Å; K611-V615 WeakPolarHBondContact O-CG2 3.39Å; K611-V615 PolarHBondContact O-N 3.48Å
612	V	87.6	Confident	87.8	Confident	8 Å²	8	53 Å²	53	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-46.5	172.5	176.5	0	0	0	0	110.1	I608 A609 E614 V615 Y616 V676 S680 M683	I608-V612 HydrophobicContact CG2-CG2 4.41Å; I608-V612 WeakPolarHBondContact O-CG2 3.43Å; I608-V612 PolarHBondContact O-N 3.49Å; A609-V612 PolarHBondContact O-N 3.06Å; V612-E614 PolarHBondContact O-N 3.36Å; V612-V615 PolarHBondContact O-N 2.84Å; V612-Y616 HydrophobicContact CG1-CD2 3.77Å; V612-Y616 HydrophobicContact CG1-CE2 4.05Å; V612-Y616 VanDerWaalsContact O-CD2 3.32Å; V612-Y616 WeakPolarHBondContact O-CD2 3.29Å; V612-Y616 PolarHBondContact O-N 3.1Å; V612-Y616 VanDerWaalsContact O-N 3.07Å; V612-V676 HydrophobicContact CG1-CG1 3.46Å; V612-V676 VanDerWaalsContact CG1-CG1 3.46Å; V612-S680 WeakPolarHBondContact CG1-OG 3.48Å; V612-M683 HydrophobicContact CG2-SD 3.6Å; V612-M683 VanDerWaalsContact CG2-SD 3.6Å
613	A	85.2	Confident	87.2	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-31.2	176.9	0	0	0	0	0	113.4	A609 N610 N617 I618 R619	A609-A613 WeakPolarHBondContact O-CB 3.41Å; A609-A613 PolarHBondContact O-N 3.18Å; N610-A613 PolarHBondContact O-N 3.46Å; A613-N617 PolarHBondContact O-N 3.04Å; A613-I618 HydrophobicContact CB-CB 4.47Å; A613-I618 PolarHBondContact O-N 2.87Å; A613-R619 HydrophobicContact CB-CG 3.99Å; A613-R619 PolarHBondContact O-N 2.67Å
614	E	84.1	Confident	86.7	Confident	74 Å²	74	53.1 Å²	53.1	35%	0.346	26%	0.259	S	S	.	.	H	α-helix	trans	-69.1	-54.3	173.5	175	163.6	-135.5	0	0	112.4	N610 K611 V612 Y616 N617 R619	N610-E614 WeakPolarHBondContact O-CB 3.43Å; N610-E614 PolarHBondContact O-N 2.77Å; K611-E614 IonicContact NZ-OE2 3.72Å; K611-E614 PolarHBondContact NZ-OE2 3.44Å; K611-E614 WeakPolarHBondContact O-CB 3.36Å; K611-E614 PolarHBondContact O-N 2.88Å; V612-E614 PolarHBondContact O-N 3.36Å; E614-Y616 PolarHBondContact O-N 3.09Å; E614-N617 PolarHBondContact O-N 2.68Å; E614-R619 VanDerWaalsContact CB-CZ 3.44Å; E614-R619 IonicContact OE1-CZ 2.97Å; E614-R619 IonicContact OE1-NH1 2.7Å; E614-R619 IonicContact OE1-NH2 2.66Å; E614-R619 PolarHBondContact OE1-NH2 3.47Å; E614-R619 IonicContact OE2-NH1 2.64Å; E614-R619 IonicContact OE2-NH2 2.77Å
615	V	85.5	Confident	86.4	Confident	115 Å²	115	50.4 Å²	50.4	70%	0.697	25%	0.246	S	C	*	.	H	α-helix	trans	-59.3	-38.3	-176.7	170	0	0	0	0	111.4	K611 V612 N617	K611-V615 WeakPolarHBondContact O-CG2 3.39Å; K611-V615 PolarHBondContact O-N 3.48Å; V612-V615 PolarHBondContact O-N 2.84Å; V615-N617 VanDerWaalsContact C-N 3.3Å; V615-N617 PolarHBondContact O-N 2.64Å
616	Y	83	Confident	86.2	Confident	96 Å²	96	50.3 Å²	50.3	38%	0.376	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	8.7	178.7	-72.1	-87.6	0	0	0	113.8	V612 E614 I618 V676 L679	V612-Y616 HydrophobicContact CG1-CD2 3.77Å; V612-Y616 HydrophobicContact CG1-CE2 4.05Å; V612-Y616 VanDerWaalsContact O-CD2 3.32Å; V612-Y616 WeakPolarHBondContact O-CD2 3.29Å; V612-Y616 PolarHBondContact O-N 3.1Å; V612-Y616 VanDerWaalsContact O-N 3.07Å; E614-Y616 PolarHBondContact O-N 3.09Å; Y616-I618 PolarHBondContact O-N 2.91Å; Y616-V676 HydrophobicContact CD1-CG2 3.32Å; Y616-V676 HydrophobicContact CD2-CG1 4.12Å; Y616-V676 HydrophobicContact CD2-CG2 3.98Å; Y616-V676 HydrophobicContact CE1-CG2 3.81Å; Y616-V676 HydrophobicContact CE2-CG2 4.42Å; Y616-V676 HydrophobicContact CG-CB 4.44Å; Y616-V676 HydrophobicContact CG-CG1 4.21Å; Y616-V676 HydrophobicContact CG-CG2 3.4Å; Y616-V676 VanDerWaalsContact CG-CG2 3.4Å; Y616-L679 HydrophobicContact CE2-CD2 3.64Å; Y616-L679 WeakPolarHBondContact OH-CD2 3.17Å
617	N	82.3	Confident	86.2	Confident	95 Å²	95	50.4 Å²	50.4	51%	0.508	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	27	179.7	-165.3	31	0	0	0	114.1	A613 E614 V615 R619	A613-N617 PolarHBondContact O-N 3.04Å; E614-N617 PolarHBondContact O-N 2.68Å; V615-N617 VanDerWaalsContact C-N 3.3Å; V615-N617 PolarHBondContact O-N 2.64Å; N617-R619 VanDerWaalsContact C-N 3.26Å; N617-R619 PolarHBondContact O-N 2.93Å
618	I	81.5	Confident	86.3	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-73.6	-23.1	179.9	-65	159.5	0	0	0	110.7	A613 Y616 K620 S621 I622 I672 V676	A613-I618 HydrophobicContact CB-CB 4.47Å; A613-I618 PolarHBondContact O-N 2.87Å; Y616-I618 PolarHBondContact O-N 2.91Å; I618-K620 PolarHBondContact O-N 3.43Å; I618-S621 WeakPolarHBondContact O-CA 3.48Å; I618-S621 PolarHBondContact O-N 3.33Å; I618-I622 HydrophobicContact CG2-CD1 3.79Å; I618-I622 HydrophobicContact CG2-CG1 3.99Å; I618-I622 HydrophobicContact CG2-CG2 3.87Å; I618-I622 PolarHBondContact O-N 3.38Å; I618-I672 HydrophobicContact CD1-CG2 3.79Å; I618-I672 HydrophobicContact CG1-CG2 4.45Å; I618-I672 HydrophobicContact CG2-CD1 4.28Å; I618-I672 HydrophobicContact CG2-CG1 3.85Å; I618-V676 HydrophobicContact CD1-CB 3.74Å; I618-V676 HydrophobicContact CD1-CG1 3.21Å; I618-V676 HydrophobicContact CD1-CG2 3.83Å
619	R	77.4	Confident	86.5	Confident	98 Å²	98	45 Å²	45	37%	0.37	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.3	-22.8	-178.3	-68.9	-161.5	-65.7	-148.8	4.2	114.2	H448 A613 E614 N617	H448-R619 PolarHBondContact NE2-O 2.68Å; H448-R619 VanDerWaalsContact NE2-O 3.16Å; A613-R619 HydrophobicContact CB-CG 3.99Å; A613-R619 PolarHBondContact O-N 2.67Å; E614-R619 VanDerWaalsContact CB-CZ 3.44Å; E614-R619 IonicContact OE1-CZ 2.97Å; E614-R619 IonicContact OE1-NH1 2.7Å; E614-R619 IonicContact OE1-NH2 2.66Å; E614-R619 PolarHBondContact OE1-NH2 3.47Å; E614-R619 IonicContact OE2-NH1 2.64Å; E614-R619 IonicContact OE2-NH2 2.77Å; N617-R619 VanDerWaalsContact C-N 3.26Å; N617-R619 PolarHBondContact O-N 2.93Å
620	K	78.3	Confident	86.8	Confident	178 Å²	178	45.5 Å²	45.5	77%	0.774	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-81.7	-30.2	173.9	-64.7	-173.1	179.3	-174	0	113	I618	I618-K620 PolarHBondContact O-N 3.43Å
621	S	82	Confident	87.1	Confident	64 Å²	64	44.7 Å²	44.7	45%	0.448	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-22	-178.8	-52	0	0	0	0	113.3	I618 H671	I618-S621 WeakPolarHBondContact O-CA 3.48Å; I618-S621 PolarHBondContact O-N 3.33Å; S621-H671 WeakPolarHBondContact CB-O 3.37Å
622	I	86.7	Confident	87.4	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	20%	0.204	C	C	.	.			trans	-119.8	141.9	177.9	71.3	179.6	0	0	0	110.9	H448 I618 M625 P654 I656 A666 I672	H448-I622 PolarHBondContact NE2-O 2.86Å; H448-I622 VanDerWaalsContact NE2-O 3.13Å; I618-I622 HydrophobicContact CG2-CD1 3.79Å; I618-I622 HydrophobicContact CG2-CG1 3.99Å; I618-I622 HydrophobicContact CG2-CG2 3.87Å; I618-I622 PolarHBondContact O-N 3.38Å; I622-M625 HydrophobicContact CD1-CB 3.88Å; I622-M625 HydrophobicContact CD1-CE 3.76Å; I622-P654 HydrophobicContact CD1-CB 4.06Å; I622-P654 HydrophobicContact CG2-CB 4.31Å; I622-I656 HydrophobicContact CG2-CG1 4.44Å; I622-A666 HydrophobicContact CG2-CB 3.82Å; I622-I672 HydrophobicContact CG2-CD1 4.05Å; I622-I672 HydrophobicContact CG2-CG1 4.04Å
623	S	82.8	Confident	87.5	Confident	29 Å²	29	40.6 Å²	40.6	20%	0.203	20%	0.204	C	C	.	.	S	Bend	trans	-79.1	-24.6	179.9	-46.8	0	0	0	0	112.3	H448 V655 T657	H448-S623 PolarHBondContact CD2-O 3.02Å; S623-V655 PolarHBondContact N-O 2.97Å; S623-T657 PolarHBondContact OG-N 3.48Å; S623-T657 PolarHBondContact OG-O 3.43Å
624	Q	86.6	Confident	87.6	Confident	29 Å²	29	42.8 Å²	42.8	14%	0.136	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-161.2	144.5	178.2	-152.9	-168.1	3.3	0	0	111.6	H448 P449 P626 V655	H448-Q624 HydrophobicContact CB-CG 4.31Å; P449-Q624 PolarHBondContact O-NE2 3.47Å; Q624-P626 HydrophobicContact CB-CG 4.5Å; Q624-P626 HydrophobicContact CG-CG 4.17Å; Q624-P626 WeakPolarHBondContact O-CD 3.31Å; Q624-V655 HydrophobicContact CB-CG2 3.63Å; Q624-V655 PolarHBondContact N-O 2.82Å; Q624-V655 PolarHBondContact O-N 3.17Å
625	M	88.9	Confident	87.2	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.059	22%	0.216	C	C	.	.			trans	-114.4	77.7	165.4	-174.7	65	85.7	0	0	112	H448 I622 V627 L652 P654 I672	H448-M625 PolarHBondContact ND1-N 2.84Å; I622-M625 HydrophobicContact CD1-CB 3.88Å; I622-M625 HydrophobicContact CD1-CE 3.76Å; M625-V627 HydrophobicContact CG-CG2 4.49Å; M625-V627 PolarHBondContact O-N 2.96Å; M625-L652 HydrophobicContact SD-CB 4.25Å; M625-P654 HydrophobicContact CE-CB 3.66Å; M625-P654 HydrophobicContact CE-CG 4.14Å; M625-P654 HydrophobicContact SD-CB 3.71Å; M625-P654 HydrophobicContact SD-CG 4.15Å; M625-I672 HydrophobicContact CE-CD1 4.46Å
626	P	91.2	Very high	86.5	Confident	5 Å²	5	40 Å²	40	3%	0.032	19%	0.192	C	C	.	.			trans	-53.4	127.2	164.2	-30.9	33.3	0	0	0	113.8	Q624 R653	Q624-P626 HydrophobicContact CB-CG 4.5Å; Q624-P626 HydrophobicContact CG-CG 4.17Å; Q624-P626 WeakPolarHBondContact O-CD 3.31Å; P626-R653 HydrophobicContact CB-CB 4.16Å; P626-R653 WeakPolarHBondContact CD-O 3.12Å; P626-R653 PolarHBondContact O-N 3.23Å
627	V	94.2	Very high	85.7	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.8	168.5	-175.2	0	0	0	0	109.3	R458 A605 D606 A609 M625 I650 L652	R458-V627 WeakPolarHBondContact CB-O 3.24Å; R458-V627 WeakPolarHBondContact CD-O 2.9Å; A605-V627 HydrophobicContact CB-CG1 4.29Å; D606-V627 HydrophobicContact CB-CB 4.13Å; D606-V627 HydrophobicContact CB-CG1 4.46Å; D606-V627 HydrophobicContact CB-CG2 4.39Å; A609-V627 HydrophobicContact CB-CG2 3.61Å; M625-V627 HydrophobicContact CG-CG2 4.49Å; M625-V627 PolarHBondContact O-N 2.96Å; V627-I650 HydrophobicContact CG1-CG2 3.51Å; V627-L652 HydrophobicContact CG1-CD2 4.18Å; V627-L652 HydrophobicContact CG2-CD2 3.82Å
628	V	95.8	Very high	84.9	Confident	21 Å²	21	43.1 Å²	43.1	13%	0.127	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.8	-175.5	-179.1	0	0	0	0	109.3	R458 I460 L630 C651	R458-V628 CarbonylContact O-C 3.56Å; R458-V628 VanDerWaalsContact O-CA 3.27Å; R458-V628 WeakPolarHBondContact O-CA 3.29Å; R458-V628 VanDerWaalsContact O-CG1 3.23Å; R458-V628 WeakPolarHBondContact O-CG1 3.35Å; I460-V628 HydrophobicContact CD1-CG1 4.18Å; I460-V628 HydrophobicContact CG1-CG1 4.03Å; V628-L630 HydrophobicContact CG1-CD2 3.84Å; V628-C651 HydrophobicContact CB-CB 4.23Å; V628-C651 PolarHBondContact N-O 3.09Å; V628-C651 PolarHBondContact O-N 3.01Å
629	L	97.2	Very high	84	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.7	173.9	-174.9	157.8	0	0	0	109.2	R458 I459 I460 T592 V598 T601 A602 W648 I650	R458-L629 PolarHBondContact O-N 2.84Å; I459-L629 HydrophobicContact CG1-CB 4.36Å; I459-L629 HydrophobicContact CG2-CD2 4.3Å; I460-L629 PolarHBondContact N-O 3.2Å; T592-L629 HydrophobicContact CG2-CD2 4.48Å; V598-L629 HydrophobicContact CG1-CD1 4.18Å; V598-L629 HydrophobicContact CG1-CD2 4.28Å; T601-L629 HydrophobicContact CG2-CD1 4.16Å; A602-L629 HydrophobicContact CB-CB 4.17Å; A602-L629 HydrophobicContact CB-CD1 3.9Å; L629-W648 HydrophobicContact CD1-CB 4.42Å; L629-W648 HydrophobicContact CD1-CG 4.38Å; L629-W648 HydrophobicContact CD2-CB 3.94Å; L629-W648 HydrophobicContact CD2-CD2 4.46Å; L629-W648 HydrophobicContact CD2-CG 3.65Å; L629-W648 HydrophobicContact CG-CB 4.02Å; L629-W648 HydrophobicContact CG-CG 4.17Å; L629-I650 HydrophobicContact CB-CD1 4.11Å; L629-I650 HydrophobicContact CD1-CD1 4.24Å; L629-I650 HydrophobicContact CG-CD1 4.06Å
630	L	96.2	Very high	83.5	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.7	-179	-55.3	-179.1	0	0	0	110.6	I460 I527 V628 I632 W648 S649 C651	I460-L630 HydrophobicContact CD1-CD2 3.51Å; I460-L630 HydrophobicContact CG1-CD2 4.2Å; I527-L630 HydrophobicContact CD1-CD2 4.23Å; V628-L630 HydrophobicContact CG1-CD2 3.84Å; L630-I632 PolarHBondContact O-N 2.66Å; L630-W648 WeakPolarHBondContact O-CB 3.32Å; L630-S649 PolarHBondContact N-O 2.64Å; L630-S649 PolarHBondContact O-N 3.11Å; L630-S649 VanDerWaalsContact O-N 3.13Å; L630-C651 HydrophobicContact CD1-CB 3.88Å; L630-C651 HydrophobicContact CG-CB 4.1Å
631	P	95.7	Very high	82.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-77	40.5	175.9	35.6	-37.5	0	0	0	112	I460 R462 I527 I589 T590 T592	I460-P631 HydrophobicContact CG2-CG 4.12Å; I460-P631 WeakPolarHBondContact O-CD 3.35Å; R462-P631 HydrophobicContact CB-CG 4.3Å; I527-P631 HydrophobicContact CG2-CG 3.95Å; I589-P631 CarbonylContact C-O 3.47Å; I589-P631 VanDerWaalsContact CA-O 3.29Å; I589-P631 WeakPolarHBondContact CA-O 3.35Å; I589-P631 VanDerWaalsContact CB-O 3.27Å; I589-P631 WeakPolarHBondContact CB-O 3.4Å; T590-P631 PolarHBondContact N-O 2.74Å; T590-P631 VanDerWaalsContact O-CB 3.26Å; T590-P631 WeakPolarHBondContact O-CB 3.23Å; T592-P631 WeakPolarHBondContact OG1-CB 3.05Å
632	I	93.5	Very high	82.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.			trans	-127.2	142.9	-176.7	-62.7	-65.9	0	0	0	108.1	L525 P526 I527 V586 I589 L630 F634 W648 S649	L525-I632 HydrophobicContact CD2-CG2 4.36Å; P526-I632 HydrophobicContact CG-CD1 4.02Å; I527-I632 HydrophobicContact CD1-CG1 4.08Å; I527-I632 HydrophobicContact CG1-CG1 4.47Å; I527-I632 HydrophobicContact CG2-CD1 4.02Å; I527-I632 HydrophobicContact CG2-CG1 4.24Å; V586-I632 HydrophobicContact CG1-CD1 4.03Å; V586-I632 HydrophobicContact CG1-CG2 4.02Å; I589-I632 HydrophobicContact CB-CD1 4.43Å; I589-I632 HydrophobicContact CG2-CD1 3.73Å; L630-I632 PolarHBondContact O-N 2.66Å; I632-F634 HydrophobicContact CG2-CD1 4.47Å; I632-F634 HydrophobicContact CG2-CE1 3.95Å; I632-F634 HydrophobicContact CG2-CE2 4.06Å; I632-F634 HydrophobicContact CG2-CZ 3.72Å; I632-W648 CarbonylContact O-C 3.55Å; I632-W648 VanDerWaalsContact O-C 3.3Å; I632-S649 WeakPolarHBondContact O-CB 3.36Å; I632-S649 PolarHBondContact O-N 3.39Å; I632-S649 PolarHBondContact O-OG 2.82Å
633	H	88.9	Confident	81.4	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.032	27%	0.266	C	S	.	.			trans	-129.4	147.6	164.4	73.7	100.8	0	0	0	110	D635 R636 S643 S645 K647	H633-D635 PolarHBondContact CE1-O 2.83Å; H633-D635 VanDerWaalsContact CE1-O 3.27Å; H633-D635 PolarHBondContact ND1-O 2.83Å; H633-R636 PolarHBondContact O-NE 2.87Å; H633-R636 PolarHBondContact O-NH2 3.13Å; H633-R636 VanDerWaalsContact O-NH2 3.11Å; H633-S643 PolarHBondContact CE1-OG 3.2Å; H633-S645 WeakPolarHBondContact CD2-CB 3.37Å; H633-S645 PolarHBondContact CD2-OG 2.98Å; H633-S645 VanDerWaalsContact NE2-CB 3.28Å; H633-S645 WeakPolarHBondContact NE2-CB 3.4Å; H633-S645 PolarHBondContact NE2-OG 3.44Å; H633-K647 HydrophobicContact CB-CB 3.78Å
634	F	87.2	Confident	80.9	Confident	48 Å²	48	53.9 Å²	53.9	21%	0.211	30%	0.297	C	S	.	.			trans	-103.1	-17.5	179.4	-58.9	-75.7	0	0	0	112.5	L525 A544 V577 V582 V586 I632 R636 S649	L525-F634 HydrophobicContact CD2-CE1 3.92Å; L525-F634 HydrophobicContact CD2-CZ 4.06Å; A544-F634 HydrophobicContact CB-CE1 4.43Å; A544-F634 HydrophobicContact CB-CZ 4.4Å; V577-F634 HydrophobicContact CG1-CD1 4.38Å; V577-F634 HydrophobicContact CG1-CD2 3.7Å; V577-F634 HydrophobicContact CG1-CE2 3.87Å; V577-F634 HydrophobicContact CG1-CG 3.97Å; V577-F634 HydrophobicContact CG1-CZ 4.28Å; V577-F634 HydrophobicContact CG2-CD2 4.49Å; V577-F634 HydrophobicContact CG2-CE1 3.96Å; V577-F634 HydrophobicContact CG2-CE2 3.9Å; V577-F634 HydrophobicContact CG2-CZ 3.59Å; V582-F634 HydrophobicContact CG1-CD1 4.1Å; V582-F634 HydrophobicContact CG2-CB 4.3Å; V582-F634 HydrophobicContact CG2-CD1 3.61Å; V582-F634 HydrophobicContact CG2-CE1 4.22Å; V582-F634 HydrophobicContact CG2-CG 4.13Å; V586-F634 HydrophobicContact CG2-CD1 4.13Å; V586-F634 HydrophobicContact CG2-CE1 4.14Å; I632-F634 HydrophobicContact CG2-CD1 4.47Å; I632-F634 HydrophobicContact CG2-CE1 3.95Å; I632-F634 HydrophobicContact CG2-CE2 4.06Å; I632-F634 HydrophobicContact CG2-CZ 3.72Å; F634-R636 PolarHBondContact O-N 2.86Å; F634-S649 WeakPolarHBondContact CE2-OG 3.4Å
635	D	77.4	Confident	80.6	Confident	76 Å²	76	53.3 Å²	53.3	41%	0.406	30%	0.296	S	S	.	.			trans	-66.9	95.2	174.3	-58.5	-11.8	0	0	0	110.6	H633 K647	H633-D635 PolarHBondContact CE1-O 2.83Å; H633-D635 VanDerWaalsContact CE1-O 3.27Å; H633-D635 PolarHBondContact ND1-O 2.83Å; D635-K647 HydrophobicContact CB-CD 4.45Å; D635-K647 IonicContact OD2-NZ 2.68Å; D635-K647 PolarHBondContact OD2-NZ 3.36Å
636	R	70.3	Confident	80.4	Confident	55 Å²	55	61.3 Å²	61.3	21%	0.208	33%	0.33	C	S	.	.			trans	-135.3	143.2	-179.5	-60	170.6	-170	-120.9	-16.2	109.3	D588 H633 F634	D588-R636 IonicContact OD1-CZ 3.38Å; D588-R636 IonicContact OD1-NH1 3.27Å; D588-R636 PolarHBondContact OD1-NH1 2.79Å; D588-R636 IonicContact OD1-NH2 3.36Å; D588-R636 PolarHBondContact OD1-NH2 3.02Å; H633-R636 PolarHBondContact O-NE 2.87Å; H633-R636 PolarHBondContact O-NH2 3.13Å; H633-R636 VanDerWaalsContact O-NH2 3.11Å; F634-R636 PolarHBondContact O-N 2.86Å
637	C	65.6	Low	80.3	Confident	91 Å²	91	65.8 Å²	65.8	62%	0.615	35%	0.349	S	S	*	.			trans	-71.5	143	166.1	-58.1	0	0	0	0	109.4	G639 I640	C637-G639 PolarHBondContact O-N 3.44Å; C637-I640 HydrophobicContact CB-CD1 3.77Å; C637-I640 HydrophobicContact CB-CG1 4.15Å; C637-I640 PolarHBondContact O-N 3.34Å
638	E	65.2	Low	80.3	Confident	164 Å²	164	69 Å²	69	77%	0.766	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	139	175.4	-68.3	-171.3	162.2	0	0	111.2	I640	E638-I640 VanDerWaalsContact C-N 3.26Å; E638-I640 PolarHBondContact O-N 3.08Å
639	G	64	Low	80.2	Confident	72 Å²	72	69 Å²	69	74%	0.742	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-15.1	-179.9	0	0	0	0	0	115.9	C637 Q641	C637-G639 PolarHBondContact O-N 3.44Å; G639-Q641 PolarHBondContact O-N 3.32Å
640	I	66.1	Low	80.1	Confident	86 Å²	86	71 Å²	71	44%	0.441	37%	0.372	S	S	.	.			trans	-86.7	108.4	177	-54.8	-174.3	0	0	0	110	C637 E638 K642	C637-I640 HydrophobicContact CB-CD1 3.77Å; C637-I640 HydrophobicContact CB-CG1 4.15Å; C637-I640 PolarHBondContact O-N 3.34Å; E638-I640 VanDerWaalsContact C-N 3.26Å; E638-I640 PolarHBondContact O-N 3.08Å; I640-K642 WeakPolarHBondContact CG2-O 3.48Å
641	Q	63.8	Low	80	Confident	124 Å²	124	71.6 Å²	71.6	58%	0.579	38%	0.377	S	S	*	.	S	Bend	trans	-81.7	-28.3	179.8	-67.4	-175.5	-2	0	0	113.9	G639	G639-Q641 PolarHBondContact O-N 3.32Å
642	K	68.6	Low	79.9	Confident	160 Å²	160	73.4 Å²	73.4	70%	0.696	39%	0.386	S	S	*	.			trans	-135.1	124	-179.5	-64.8	-172.9	178.4	179.6	0	110.3	D588 I640	D588-K642 HydrophobicContact CB-CG 4.35Å; D588-K642 VanDerWaalsContact OD2-CA 3.31Å; D588-K642 WeakPolarHBondContact OD2-CA 3.36Å; I640-K642 WeakPolarHBondContact CG2-O 3.48Å
643	S	70	Confident	79.8	Confident	31 Å²	31	77.3 Å²	77.3	22%	0.217	40%	0.401	C	S	.	.			trans	-137.4	125.6	177.3	50.6	0	0	0	0	109.7	D588 H633 S645	D588-S643 PolarHBondContact OD2-N 3.08Å; H633-S643 PolarHBondContact CE1-OG 3.2Å; S643-S645 PolarHBondContact O-N 3.21Å
644	P	72.9	Confident	79.9	Confident	130 Å²	130	77.9 Å²	77.9	84%	0.844	41%	0.406	S	S	*	.			trans	-53.6	126	168.5	-21.1	31.6	0	0	0	109.2
645	S	80.7	Confident	79.9	Confident	17 Å²	17	75.9 Å²	75.9	12%	0.119	40%	0.397	C	S	.	.			trans	-131.4	146	-174.5	-172.3	0	0	0	0	110.6	T590 H633 S643 K647	T590-S645 WeakPolarHBondContact CG2-O 3.46Å; H633-S645 WeakPolarHBondContact CD2-CB 3.37Å; H633-S645 PolarHBondContact CD2-OG 2.98Å; H633-S645 VanDerWaalsContact NE2-CB 3.28Å; H633-S645 WeakPolarHBondContact NE2-CB 3.4Å; H633-S645 PolarHBondContact NE2-OG 3.44Å; S643-S645 PolarHBondContact O-N 3.21Å; S645-K647 PolarHBondContact OG-N 2.73Å; S645-K647 VanDerWaalsContact OG-N 3.11Å
646	F	83.4	Confident	80.2	Confident	179 Å²	179	74.1 Å²	74.1	79%	0.785	39%	0.387	S	S	*	.			trans	-116.4	18.5	169.4	-56.3	-82.6	0	0	0	110.4	W648	F646-W648 WeakPolarHBondContact O-CZ3 3.34Å
647	K	89.9	Confident	80.4	Confident	100 Å²	100	72.1 Å²	72.1	44%	0.435	38%	0.381	S	S	.	.			trans	-103.3	149	-177.6	-65.7	-176.7	169.9	-171.6	0	110.7	T590 H633 D635 S645	T590-K647 WeakPolarHBondContact CB-O 3.46Å; T590-K647 PolarHBondContact OG1-O 3.36Å; H633-K647 HydrophobicContact CB-CB 3.78Å; D635-K647 HydrophobicContact CB-CD 4.45Å; D635-K647 IonicContact OD2-NZ 2.68Å; D635-K647 PolarHBondContact OD2-NZ 3.36Å; S645-K647 PolarHBondContact OG-N 2.73Å; S645-K647 VanDerWaalsContact OG-N 3.11Å
648	W	93.1	Very high	80.2	Confident	72 Å²	72	71.3 Å²	71.3	27%	0.273	38%	0.377	S	S	.	.			trans	-126.8	163.7	175	-64.6	-83.6	0	0	0	109.7	T590 T592 V598 L629 L630 I632 F646	T590-W648 HydrophobicContact CG2-CD2 4.49Å; T590-W648 HydrophobicContact CG2-CZ2 3.95Å; T592-W648 PolarHBondContact OG1-NE1 3.49Å; V598-W648 HydrophobicContact CG2-CH2 3.96Å; V598-W648 HydrophobicContact CG2-CZ2 3.56Å; L629-W648 HydrophobicContact CD1-CB 4.42Å; L629-W648 HydrophobicContact CD1-CG 4.38Å; L629-W648 HydrophobicContact CD2-CB 3.94Å; L629-W648 HydrophobicContact CD2-CD2 4.46Å; L629-W648 HydrophobicContact CD2-CG 3.65Å; L629-W648 HydrophobicContact CG-CB 4.02Å; L629-W648 HydrophobicContact CG-CG 4.17Å; L630-W648 WeakPolarHBondContact O-CB 3.32Å; I632-W648 CarbonylContact O-C 3.55Å; I632-W648 VanDerWaalsContact O-C 3.3Å; F646-W648 WeakPolarHBondContact O-CZ3 3.34Å
649	S	94.6	Very high	79.9	Confident	21 Å²	21	65.8 Å²	65.8	15%	0.147	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.1	169.6	-59.5	0	0	0	0	109.2	L630 I632 F634	L630-S649 PolarHBondContact N-O 2.64Å; L630-S649 PolarHBondContact O-N 3.11Å; L630-S649 VanDerWaalsContact O-N 3.13Å; I632-S649 WeakPolarHBondContact O-CB 3.36Å; I632-S649 PolarHBondContact O-N 3.39Å; I632-S649 PolarHBondContact O-OG 2.82Å; F634-S649 WeakPolarHBondContact CE2-OG 3.4Å
650	I	95.3	Very high	79.7	Confident	46 Å²	46	64.9 Å²	64.9	24%	0.236	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.5	173.2	-57.6	-57.5	0	0	0	108.8	A605 V627 L629 L652 L684	A605-I650 HydrophobicContact CB-CD1 3.71Å; A605-I650 HydrophobicContact CB-CG1 3.89Å; A605-I650 HydrophobicContact CB-CG2 4.09Å; V627-I650 HydrophobicContact CG1-CG2 3.51Å; L629-I650 HydrophobicContact CB-CD1 4.11Å; L629-I650 HydrophobicContact CD1-CD1 4.24Å; L629-I650 HydrophobicContact CG-CD1 4.06Å; I650-L652 HydrophobicContact CG2-CD2 4.16Å; I650-L684 HydrophobicContact CB-CD1 4.41Å; I650-L684 HydrophobicContact CG2-CD1 3.96Å; I650-L684 HydrophobicContact CG2-CD2 4.48Å
651	C	94.6	Very high	79.3	Confident	25 Å²	25	64 Å²	64	17%	0.169	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.9	173.7	176.1	0	0	0	0	109.6	V628 L630	V628-C651 HydrophobicContact CB-CB 4.23Å; V628-C651 PolarHBondContact N-O 3.09Å; V628-C651 PolarHBondContact O-N 3.01Å; L630-C651 HydrophobicContact CD1-CB 3.88Å; L630-C651 HydrophobicContact CG-CB 4.1Å
652	L	93.1	Very high	79.2	Confident	37 Å²	37	62 Å²	62	19%	0.194	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.4	168.8	-56.1	-179	0	0	0	108.7	A609 M625 V627 I650 L684	A609-L652 HydrophobicContact CB-CD2 3.69Å; M625-L652 HydrophobicContact SD-CB 4.25Å; V627-L652 HydrophobicContact CG1-CD2 4.18Å; V627-L652 HydrophobicContact CG2-CD2 3.82Å; I650-L652 HydrophobicContact CG2-CD2 4.16Å; L652-L684 HydrophobicContact CD1-CD1 3.94Å; L652-L684 HydrophobicContact CD2-CD1 3.9Å; L652-L684 HydrophobicContact CG-CD1 4.14Å
653	R	91.1	Very high	79.3	Confident	83 Å²	83	57.2 Å²	57.2	31%	0.313	31%	0.306	S	S	.	.			trans	-131.2	72.2	-178	-176.9	-163.5	166.2	-175.5	-7	110.3	R573 P626 V655	R573-R653 VanDerWaalsContact CZ-NH1 3.34Å; P626-R653 HydrophobicContact CB-CB 4.16Å; P626-R653 WeakPolarHBondContact CD-O 3.12Å; P626-R653 PolarHBondContact O-N 3.23Å; R653-V655 HydrophobicContact CG-CG1 4.23Å; R653-V655 PolarHBondContact O-N 3.36Å
654	P	90.3	Very high	79.8	Confident	19 Å²	19	61.4 Å²	61.4	12%	0.123	33%	0.325	C	S	.	.			trans	-64.4	132.1	175	26.6	-32.5	0	0	0	110.7	I622 M625 A666 I672	I622-P654 HydrophobicContact CD1-CB 4.06Å; I622-P654 HydrophobicContact CG2-CB 4.31Å; M625-P654 HydrophobicContact CE-CB 3.66Å; M625-P654 HydrophobicContact CE-CG 4.14Å; M625-P654 HydrophobicContact SD-CB 3.71Å; M625-P654 HydrophobicContact SD-CG 4.15Å; P654-A666 HydrophobicContact CB-CB 3.69Å; P654-A666 HydrophobicContact CG-CB 3.95Å; P654-A666 PolarHBondContact O-N 3.11Å; P654-I672 HydrophobicContact CB-CD1 3.42Å; P654-I672 VanDerWaalsContact CB-CD1 3.42Å; P654-I672 HydrophobicContact CG-CD1 3.47Å; P654-I672 VanDerWaalsContact CG-CD1 3.47Å
655	V	87.8	Confident	80.5	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.4	-179.7	-64.5	0	0	0	0	111.6	S623 Q624 R653 C663 L664	S623-V655 PolarHBondContact N-O 2.97Å; Q624-V655 HydrophobicContact CB-CG2 3.63Å; Q624-V655 PolarHBondContact N-O 2.82Å; Q624-V655 PolarHBondContact O-N 3.17Å; R653-V655 HydrophobicContact CG-CG1 4.23Å; R653-V655 PolarHBondContact O-N 3.36Å; V655-C663 HydrophobicContact CB-CB 4.41Å; V655-C663 HydrophobicContact CG1-CB 4.4Å; V655-L664 CarbonylContact C-O 3.13Å; V655-L664 WeakPolarHBondContact CA-O 3.38Å
656	I	83.4	Confident	80.8	Confident	39 Å²	39	58.1 Å²	58.1	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.5	174.6	-55.7	174.2	0	0	0	106.9	I622 L664 A666 H671	I622-I656 HydrophobicContact CG2-CG1 4.44Å; I656-L664 PolarHBondContact N-O 3.2Å; I656-L664 PolarHBondContact O-N 3.17Å; I656-A666 HydrophobicContact CD1-CB 3.97Å; I656-A666 HydrophobicContact CG1-CB 3.98Å; I656-H671 HydrophobicContact CD1-CB 3.68Å; I656-H671 WeakPolarHBondContact CD1-CD2 3.32Å
657	T	74.1	Confident	80.9	Confident	14 Å²	14	52.2 Å²	52.2	9%	0.086	28%	0.276	C	S	.	.			trans	-159.7	137.1	178.9	178.8	0	0	0	0	109.7	S623 D659 F660 T662	S623-T657 PolarHBondContact OG-N 3.48Å; S623-T657 PolarHBondContact OG-O 3.43Å; T657-D659 PolarHBondContact OG1-N 3.38Å; T657-D659 PolarHBondContact OG1-OD1 3.1Å; T657-F660 HydrophobicContact CG2-CB 4.41Å; T657-F660 HydrophobicContact CG2-CD1 3.56Å; T657-F660 HydrophobicContact CG2-CD2 4.37Å; T657-F660 HydrophobicContact CG2-CE1 3.81Å; T657-F660 HydrophobicContact CG2-CG 3.88Å; T657-F660 HydrophobicContact CG2-CZ 4.33Å; T657-F660 VanDerWaalsContact OG1-CA 3.25Å; T657-F660 WeakPolarHBondContact OG1-CA 3.36Å; T657-F660 PolarHBondContact OG1-N 2.7Å; T657-T662 WeakPolarHBondContact CB-O 3.45Å; T657-T662 PolarHBondContact OG1-O 3.27Å
658	S	62.7	Low	80.6	Confident	74 Å²	74	47.9 Å²	47.9	52%	0.517	26%	0.259	S	S	.	.	S	Bend	trans	-86.7	-27.2	172.9	51.9	0	0	0	0	112
659	D	57.8	Low	80	Confident	47 Å²	47	47.1 Å²	47.1	25%	0.251	27%	0.273	S	S	.	.	S	Bend	trans	-122.7	-8.7	-169	61.3	10.9	0	0	0	114.6	T657 M661 T662	T657-D659 PolarHBondContact OG1-N 3.38Å; T657-D659 PolarHBondContact OG1-OD1 3.1Å; D659-M661 HydrophobicContact CB-CB 4.4Å; D659-M661 HydrophobicContact CB-CG 4.36Å; D659-M661 PolarHBondContact O-N 2.91Å; D659-M661 VanDerWaalsContact O-N 3.15Å; D659-M661 PolarHBondContact OD1-N 2.85Å; D659-T662 PolarHBondContact OD1-N 3.49Å; D659-T662 PolarHBondContact OD1-OG1 3.18Å
660	F	61.2	Low	79.3	Confident	54 Å²	54	51.9 Å²	51.9	24%	0.237	30%	0.297	C	S	.	.	S	Bend	trans	58.1	11.1	-169.7	-61.1	-91.3	0	0	0	115.1	K428 P449 T657	K428-F660 HydrophobicContact CD-CD2 3.73Å; K428-F660 HydrophobicContact CD-CE2 4.04Å; P449-F660 HydrophobicContact CG-CD1 4.33Å; P449-F660 HydrophobicContact CG-CE1 3.65Å; P449-F660 HydrophobicContact CG-CZ 3.93Å; T657-F660 HydrophobicContact CG2-CB 4.41Å; T657-F660 HydrophobicContact CG2-CD1 3.56Å; T657-F660 HydrophobicContact CG2-CD2 4.37Å; T657-F660 HydrophobicContact CG2-CE1 3.81Å; T657-F660 HydrophobicContact CG2-CG 3.88Å; T657-F660 HydrophobicContact CG2-CZ 4.33Å; T657-F660 VanDerWaalsContact OG1-CA 3.25Å; T657-F660 WeakPolarHBondContact OG1-CA 3.36Å; T657-F660 PolarHBondContact OG1-N 2.7Å
661	M	56.3	Low	78.7	Confident	66 Å²	66	52.9 Å²	52.9	33%	0.325	30%	0.3	S	S	.	.	S	Bend	trans	-93.7	-44.5	174.3	-64.8	-69.4	-64.6	0	0	109.8	K56 D659	K56-M661 HydrophobicContact CD-CE 3.8Å; K56-M661 VanDerWaalsContact NZ-CE 3.31Å; D659-M661 HydrophobicContact CB-CB 4.4Å; D659-M661 HydrophobicContact CB-CG 4.36Å; D659-M661 PolarHBondContact O-N 2.91Å; D659-M661 VanDerWaalsContact O-N 3.15Å; D659-M661 PolarHBondContact OD1-N 2.85Å
662	T	62.2	Low	78.1	Confident	82 Å²	82	51.8 Å²	51.8	50%	0.503	29%	0.293	S	S	.	.	S	Bend	trans	-110.1	130.4	173.4	60.5	0	0	0	0	110.1	T657 D659	T657-T662 WeakPolarHBondContact CB-O 3.45Å; T657-T662 PolarHBondContact OG1-O 3.27Å; D659-T662 PolarHBondContact OD1-N 3.49Å; D659-T662 PolarHBondContact OD1-OG1 3.18Å
663	C	71	Confident	77.5	Confident	61 Å²	61	53.1 Å²	53.1	41%	0.412	30%	0.303	S	S	.	.			trans	-118.3	119.6	-179.5	-69.4	0	0	0	0	110.5	V655	V655-C663 HydrophobicContact CB-CB 4.41Å; V655-C663 HydrophobicContact CG1-CB 4.4Å
664	L	81.5	Confident	76.8	Confident	119 Å²	119	51.7 Å²	51.7	62%	0.623	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.7	168	-64.5	176	0	0	0	109.3	V655 I656	V655-L664 CarbonylContact C-O 3.13Å; V655-L664 WeakPolarHBondContact CA-O 3.38Å; I656-L664 PolarHBondContact N-O 3.2Å; I656-L664 PolarHBondContact O-N 3.17Å
665	P	87.3	Confident	75.9	Confident	72 Å²	72	57.8 Å²	57.8	47%	0.468	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.2	170.1	28.7	-34.6	0	0	0	109.9	F558 Y667	F558-P665 HydrophobicContact CD1-CG 4.09Å; F558-P665 HydrophobicContact CE1-CB 3.77Å; F558-P665 HydrophobicContact CE1-CG 3.46Å; F558-P665 VanDerWaalsContact CE1-CG 3.46Å; F558-P665 HydrophobicContact CZ-CB 4.42Å; F558-P665 HydrophobicContact CZ-CG 4.49Å; P665-Y667 PolarHBondContact O-N 2.95Å
666	A	87.4	Confident	75.2	Confident	5 Å²	5	57.7 Å²	57.7	4%	0.041	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.4	131.9	175.2	0	0	0	0	0	110.2	I622 P654 I656 P668 H671 I672	I622-A666 HydrophobicContact CG2-CB 3.82Å; P654-A666 HydrophobicContact CB-CB 3.69Å; P654-A666 HydrophobicContact CG-CB 3.95Å; P654-A666 PolarHBondContact O-N 3.11Å; I656-A666 HydrophobicContact CD1-CB 3.97Å; I656-A666 HydrophobicContact CG1-CB 3.98Å; A666-P668 WeakPolarHBondContact O-CD 3.37Å; A666-H671 HydrophobicContact CB-CB 4.27Å; A666-I672 HydrophobicContact CB-CD1 3.65Å; A666-I672 HydrophobicContact CB-CG1 4.01Å
667	Y	84.1	Confident	74.4	Confident	55 Å²	55	56.4 Å²	56.4	22%	0.216	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-88	120.2	-176.2	-160.1	-83.4	0	0	0	111.6	W554 K555 F558 P665 N670 H671	W554-Y667 HydrophobicContact CB-CE1 3.92Å; W554-Y667 HydrophobicContact CB-CE2 4.48Å; W554-Y667 WeakPolarHBondContact CB-OH 3.29Å; K555-Y667 WeakPolarHBondContact CA-OH 3.34Å; K555-Y667 WeakPolarHBondContact CG-OH 3.28Å; K555-Y667 PolarHBondContact N-OH 2.88Å; F558-Y667 HydrophobicContact CB-CE2 4.08Å; F558-Y667 HydrophobicContact CD1-CD2 4.35Å; F558-Y667 AromaticContact CD2-CD2 3.34Å; F558-Y667 HydrophobicContact CD2-CD2 3.34Å; F558-Y667 AromaticContact CD2-CE2 3.07Å; F558-Y667 HydrophobicContact CD2-CE2 3.07Å; F558-Y667 HydrophobicContact CD2-CG 4.37Å; F558-Y667 AromaticContact CD2-CZ 3.91Å; F558-Y667 HydrophobicContact CE1-CD2 4.36Å; F558-Y667 AromaticContact CE2-CD2 3.35Å; F558-Y667 HydrophobicContact CE2-CD2 3.35Å; F558-Y667 AromaticContact CE2-CE2 3.54Å; F558-Y667 HydrophobicContact CE2-CE2 3.54Å; F558-Y667 HydrophobicContact CE2-CG 4Å; F558-Y667 AromaticContact CG-CD2 3.87Å; F558-Y667 HydrophobicContact CG-CD2 3.87Å; F558-Y667 AromaticContact CG-CE2 3.65Å; F558-Y667 HydrophobicContact CG-CE2 3.65Å; F558-Y667 AromaticContact CZ-CD2 3.88Å; F558-Y667 HydrophobicContact CZ-CD2 3.88Å; F558-Y667 HydrophobicContact CZ-CE2 4.44Å; F558-Y667 HydrophobicContact CZ-CG 4.47Å; P665-Y667 PolarHBondContact O-N 2.95Å; Y667-N670 HydrophobicContact CD1-CB 3.98Å; Y667-N670 PolarHBondContact O-N 3.45Å; Y667-H671 VanDerWaalsContact CB-ND1 3.27Å; Y667-H671 WeakPolarHBondContact CB-ND1 3.36Å; Y667-H671 PolarHBondContact N-ND1 2.94Å; Y667-H671 PolarHBondContact O-N 3.22Å
668	P	83.8	Confident	74.2	Confident	10 Å²	10	59.7 Å²	59.7	7%	0.065	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-60.8	139.8	174.4	-25.6	38.7	0	0	0	112.7	W554 A666 N670 I672 N677	W554-P668 HydrophobicContact CD2-CB 3.83Å; W554-P668 HydrophobicContact CD2-CG 3.73Å; W554-P668 HydrophobicContact CE3-CB 4.41Å; W554-P668 HydrophobicContact CE3-CG 3.79Å; W554-P668 HydrophobicContact CG-CB 4.2Å; W554-P668 HydrophobicContact CG-CG 4.44Å; W554-P668 HydrophobicContact CH2-CB 4.41Å; W554-P668 HydrophobicContact CH2-CG 3.85Å; W554-P668 HydrophobicContact CZ2-CB 3.82Å; W554-P668 HydrophobicContact CZ2-CG 3.77Å; W554-P668 HydrophobicContact CZ3-CG 3.86Å; A666-P668 WeakPolarHBondContact O-CD 3.37Å; P668-N670 PolarHBondContact O-N 2.84Å; P668-I672 CarbonylContact C-O 3.58Å; P668-N677 VanDerWaalsContact CB-ND2 3.33Å; P668-N677 WeakPolarHBondContact CB-ND2 3.34Å; P668-N677 VanDerWaalsContact CG-ND2 3.3Å; P668-N677 WeakPolarHBondContact CG-ND2 3.27Å
669	G	79.8	Confident	74.5	Confident	56 Å²	56	58.5 Å²	58.5	58%	0.577	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-9.5	-174.3	0	0	0	0	0	114.8	I672	G669-I672 PolarHBondContact N-O 2.84Å
670	N	80.8	Confident	75	Confident	120 Å²	120	56.5 Å²	56.5	64%	0.642	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-67	174.7	-174.5	7.8	0	0	0	110.7	Y667 P668	Y667-N670 HydrophobicContact CD1-CB 3.98Å; Y667-N670 PolarHBondContact O-N 3.45Å; P668-N670 PolarHBondContact O-N 2.84Å
671	H	82.3	Confident	75.4	Confident	68 Å²	68	55.3 Å²	55.3	32%	0.315	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-25.5	-177	-50.6	101.6	0	0	0	112.9	S621 I656 A666 Y667	S621-H671 WeakPolarHBondContact CB-O 3.37Å; I656-H671 HydrophobicContact CD1-CB 3.68Å; I656-H671 WeakPolarHBondContact CD1-CD2 3.32Å; A666-H671 HydrophobicContact CB-CB 4.27Å; Y667-H671 VanDerWaalsContact CB-ND1 3.27Å; Y667-H671 WeakPolarHBondContact CB-ND1 3.36Å; Y667-H671 PolarHBondContact N-ND1 2.94Å; Y667-H671 PolarHBondContact O-N 3.22Å
672	I	82.4	Confident	76	Confident	1 Å²	1	56 Å²	56	1%	0.005	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-129.1	126.7	178.5	-58.5	-179	0	0	0	106.8	I618 I622 M625 P654 A666 P668 G669 E674 V676	I618-I672 HydrophobicContact CD1-CG2 3.79Å; I618-I672 HydrophobicContact CG1-CG2 4.45Å; I618-I672 HydrophobicContact CG2-CD1 4.28Å; I618-I672 HydrophobicContact CG2-CG1 3.85Å; I622-I672 HydrophobicContact CG2-CD1 4.05Å; I622-I672 HydrophobicContact CG2-CG1 4.04Å; M625-I672 HydrophobicContact CE-CD1 4.46Å; P654-I672 HydrophobicContact CB-CD1 3.42Å; P654-I672 VanDerWaalsContact CB-CD1 3.42Å; P654-I672 HydrophobicContact CG-CD1 3.47Å; P654-I672 VanDerWaalsContact CG-CD1 3.47Å; A666-I672 HydrophobicContact CB-CD1 3.65Å; A666-I672 HydrophobicContact CB-CG1 4.01Å; P668-I672 CarbonylContact C-O 3.58Å; G669-I672 PolarHBondContact N-O 2.84Å; I672-E674 PolarHBondContact O-N 2.75Å; I672-V676 HydrophobicContact CG2-CB 4.13Å; I672-V676 HydrophobicContact CG2-CG1 4.49Å
673	P	81	Confident	76.4	Confident	65 Å²	65	56.8 Å²	56.8	42%	0.422	33%	0.325	S	S	.	.			trans	-59.1	134.7	174.7	-14.1	25	0	0	0	110.1	E675 V676	P673-E675 PolarHBondContact O-N 3.32Å; P673-V676 HydrophobicContact CB-CG2 4.01Å; P673-V676 HydrophobicContact CG-CG2 4.05Å; P673-V676 WeakPolarHBondContact O-CB 3.31Å; P673-V676 PolarHBondContact O-N 2.77Å
674	E	75.2	Confident	76.5	Confident	54 Å²	54	55.8 Å²	55.8	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-35	-172.6	-171.9	166.8	-159.7	0	0	112.4	W554 I672 V676 N677 N678	W554-E674 PolarHBondContact NE1-OE1 3.24Å; I672-E674 PolarHBondContact O-N 2.75Å; E674-V676 PolarHBondContact O-N 3.1Å; E674-N677 PolarHBondContact O-N 2.69Å; E674-N677 VanDerWaalsContact O-N 3.17Å; E674-N678 PolarHBondContact O-N 2.89Å
675	E	72.4	Confident	75.6	Confident	146 Å²	146	60.5 Å²	60.5	68%	0.682	33%	0.327	S	S	*	.	H	α-helix	trans	-55.3	-35.1	174.2	-63.2	175	-169.3	0	0	112.9	P673 N677 N678 L679	P673-E675 PolarHBondContact O-N 3.32Å; E675-N677 VanDerWaalsContact C-N 3.34Å; E675-N677 PolarHBondContact O-N 3.43Å; E675-N678 PolarHBondContact O-N 2.94Å; E675-L679 WeakPolarHBondContact O-CB 3.5Å; E675-L679 PolarHBondContact O-N 3.31Å
676	V	72.7	Confident	75	Confident	4 Å²	4	60 Å²	60	2%	0.024	32%	0.319	C	S	.	.	H	α-helix	trans	-70.7	-33.7	-177.4	-177	0	0	0	0	111.5	V612 Y616 I618 I672 P673 E674 S680	V612-V676 HydrophobicContact CG1-CG1 3.46Å; V612-V676 VanDerWaalsContact CG1-CG1 3.46Å; Y616-V676 HydrophobicContact CD1-CG2 3.32Å; Y616-V676 HydrophobicContact CD2-CG1 4.12Å; Y616-V676 HydrophobicContact CD2-CG2 3.98Å; Y616-V676 HydrophobicContact CE1-CG2 3.81Å; Y616-V676 HydrophobicContact CE2-CG2 4.42Å; Y616-V676 HydrophobicContact CG-CB 4.44Å; Y616-V676 HydrophobicContact CG-CG1 4.21Å; Y616-V676 HydrophobicContact CG-CG2 3.4Å; Y616-V676 VanDerWaalsContact CG-CG2 3.4Å; I618-V676 HydrophobicContact CD1-CB 3.74Å; I618-V676 HydrophobicContact CD1-CG1 3.21Å; I618-V676 HydrophobicContact CD1-CG2 3.83Å; I672-V676 HydrophobicContact CG2-CB 4.13Å; I672-V676 HydrophobicContact CG2-CG1 4.49Å; P673-V676 HydrophobicContact CB-CG2 4.01Å; P673-V676 HydrophobicContact CG-CG2 4.05Å; P673-V676 WeakPolarHBondContact O-CB 3.31Å; P673-V676 PolarHBondContact O-N 2.77Å; E674-V676 PolarHBondContact O-N 3.1Å; V676-S680 VanDerWaalsContact O-CB 3.23Å; V676-S680 WeakPolarHBondContact O-CB 3.33Å; V676-S680 PolarHBondContact O-N 2.76Å; V676-S680 PolarHBondContact O-OG 3.41Å
677	N	66.9	Low	74.4	Confident	12 Å²	12	62.8 Å²	62.8	6%	0.064	33%	0.334	C	S	.	.	H	α-helix	trans	-67.3	-44.1	174.6	-71.9	-31.3	0	0	0	111	F578 P668 E674 E675 S680 A681	F578-N677 HydrophobicContact CE1-CB 3.89Å; F578-N677 HydrophobicContact CZ-CB 3.85Å; P668-N677 VanDerWaalsContact CB-ND2 3.33Å; P668-N677 WeakPolarHBondContact CB-ND2 3.34Å; P668-N677 VanDerWaalsContact CG-ND2 3.3Å; P668-N677 WeakPolarHBondContact CG-ND2 3.27Å; E674-N677 PolarHBondContact O-N 2.69Å; E674-N677 VanDerWaalsContact O-N 3.17Å; E675-N677 VanDerWaalsContact C-N 3.34Å; E675-N677 PolarHBondContact O-N 3.43Å; N677-S680 PolarHBondContact O-N 3.09Å; N677-A681 WeakPolarHBondContact O-CB 3.28Å; N677-A681 PolarHBondContact O-N 3.23Å
678	N	69.7	Low	73.8	Confident	82 Å²	82	63.3 Å²	63.3	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-40.7	178.1	-67.4	-24.4	0	0	0	111.7	E674 E675 A681 S682	E674-N678 PolarHBondContact O-N 2.89Å; E675-N678 PolarHBondContact O-N 2.94Å; N678-A681 PolarHBondContact O-N 3.28Å; N678-S682 WeakPolarHBondContact O-CB 3.42Å; N678-S682 PolarHBondContact O-N 3.47Å
679	L	67.7	Low	73.2	Confident	50 Å²	50	66.4 Å²	66.4	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-42.2	176.5	-174.4	67.8	0	0	0	112	Y616 E675 A681 S682 M683	Y616-L679 HydrophobicContact CE2-CD2 3.64Å; Y616-L679 WeakPolarHBondContact OH-CD2 3.17Å; E675-L679 WeakPolarHBondContact O-CB 3.5Å; E675-L679 PolarHBondContact O-N 3.31Å; L679-A681 VanDerWaalsContact C-N 3.28Å; L679-A681 PolarHBondContact O-N 3.13Å; L679-S682 PolarHBondContact O-N 2.86Å; L679-S682 VanDerWaalsContact O-N 3.17Å; L679-M683 HydrophobicContact CD1-CE 4.11Å; L679-M683 HydrophobicContact CD1-CG 4.38Å; L679-M683 HydrophobicContact CD2-CE 4.07Å; L679-M683 HydrophobicContact CG-CE 4.09Å; L679-M683 HydrophobicContact CG-CG 4.36Å; L679-M683 HydrophobicContact CG-SD 4.33Å; L679-M683 WeakPolarHBondContact O-CG 3.48Å; L679-M683 PolarHBondContact O-N 3.25Å
680	S	70.3	Confident	72.8	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.028	34%	0.343	C	S	.	.	H	α-helix	trans	-59.7	-43.4	175.1	-58.8	0	0	0	0	110.4	V612 V676 N677 M683 L684	V612-S680 WeakPolarHBondContact CG1-OG 3.48Å; V676-S680 VanDerWaalsContact O-CB 3.23Å; V676-S680 WeakPolarHBondContact O-CB 3.33Å; V676-S680 PolarHBondContact O-N 2.76Å; V676-S680 PolarHBondContact O-OG 3.41Å; N677-S680 PolarHBondContact O-N 3.09Å; S680-M683 PolarHBondContact O-N 3.26Å; S680-L684 VanDerWaalsContact O-CB 3.29Å; S680-L684 WeakPolarHBondContact O-CB 3.01Å; S680-L684 VanDerWaalsContact O-CD1 3.31Å; S680-L684 WeakPolarHBondContact O-CD1 3.38Å; S680-L684 WeakPolarHBondContact O-CG 3.46Å; S680-L684 PolarHBondContact O-N 3.27Å; S680-L684 VanDerWaalsContact O-N 3.09Å
681	A	67.6	Low	72.3	Confident	29 Å²	29	63.5 Å²	63.5	24%	0.24	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-44	174.9	0	0	0	0	0	111.6	F578 N677 N678 L679 L684 Y685	F578-A681 HydrophobicContact CB-CB 4.15Å; F578-A681 HydrophobicContact CD1-CB 4.39Å; F578-A681 HydrophobicContact CG-CB 4.13Å; N677-A681 WeakPolarHBondContact O-CB 3.28Å; N677-A681 PolarHBondContact O-N 3.23Å; N678-A681 PolarHBondContact O-N 3.28Å; L679-A681 VanDerWaalsContact C-N 3.28Å; L679-A681 PolarHBondContact O-N 3.13Å; A681-L684 PolarHBondContact O-N 2.68Å; A681-Y685 WeakPolarHBondContact O-CB 3.21Å; A681-Y685 PolarHBondContact O-N 3.43Å
682	S	70	Confident	71.6	Confident	80 Å²	80	63.2 Å²	63.2	56%	0.559	32%	0.324	S	S	*	.	H	α-helix	trans	-65.8	-38.3	178.4	-177.5	0	0	0	0	113.7	N678 L679 L684	N678-S682 WeakPolarHBondContact O-CB 3.42Å; N678-S682 PolarHBondContact O-N 3.47Å; L679-S682 PolarHBondContact O-N 2.86Å; L679-S682 VanDerWaalsContact O-N 3.17Å; S682-L684 VanDerWaalsContact C-N 3.33Å
683	M	69.6	Low	70.7	Confident	100 Å²	100	68 Å²	68	49%	0.493	35%	0.348	S	S	.	.	H	α-helix	trans	-75.6	-22.1	177.2	-72.5	-173.8	169.5	0	0	113.4	I608 V612 L679 S680	I608-M683 HydrophobicContact CG2-CB 3.83Å; V612-M683 HydrophobicContact CG2-SD 3.6Å; V612-M683 VanDerWaalsContact CG2-SD 3.6Å; L679-M683 HydrophobicContact CD1-CE 4.11Å; L679-M683 HydrophobicContact CD1-CG 4.38Å; L679-M683 HydrophobicContact CD2-CE 4.07Å; L679-M683 HydrophobicContact CG-CE 4.09Å; L679-M683 HydrophobicContact CG-CG 4.36Å; L679-M683 HydrophobicContact CG-SD 4.33Å; L679-M683 WeakPolarHBondContact O-CG 3.48Å; L679-M683 PolarHBondContact O-N 3.25Å; S680-M683 PolarHBondContact O-N 3.26Å
684	L	73.2	Confident	69.9	Low	39 Å²	39	68.3 Å²	68.3	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-91.1	-28.3	179.7	-72.8	169.7	0	0	0	113.1	A605 I608 I650 L652 S680 A681 S682	A605-L684 HydrophobicContact CB-CD2 3.72Å; I608-L684 HydrophobicContact CB-CD2 4.09Å; I608-L684 HydrophobicContact CD1-CD2 4.48Å; I608-L684 HydrophobicContact CG2-CD2 4.07Å; I608-L684 HydrophobicContact CG2-CG 4.33Å; I650-L684 HydrophobicContact CB-CD1 4.41Å; I650-L684 HydrophobicContact CG2-CD1 3.96Å; I650-L684 HydrophobicContact CG2-CD2 4.48Å; L652-L684 HydrophobicContact CD1-CD1 3.94Å; L652-L684 HydrophobicContact CD2-CD1 3.9Å; L652-L684 HydrophobicContact CG-CD1 4.14Å; S680-L684 VanDerWaalsContact O-CB 3.29Å; S680-L684 WeakPolarHBondContact O-CB 3.01Å; S680-L684 VanDerWaalsContact O-CD1 3.31Å; S680-L684 WeakPolarHBondContact O-CD1 3.38Å; S680-L684 WeakPolarHBondContact O-CG 3.46Å; S680-L684 PolarHBondContact O-N 3.27Å; S680-L684 VanDerWaalsContact O-N 3.09Å; A681-L684 PolarHBondContact O-N 2.68Å; S682-L684 VanDerWaalsContact C-N 3.33Å
685	Y	63.2	Low	69.4	Low	219 Å²	219	69.5 Å²	69.5	86%	0.859	35%	0.35	S	S	*	.			trans	-72.1	0	171	-175	-90.2	0	0	0	109.9	A681	A681-Y685 WeakPolarHBondContact O-CB 3.21Å; A681-Y685 PolarHBondContact O-N 3.43Å

Retrieved 685 of 685 residues in 275 ms (Link to these results)

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