A0A087YMH3_POEFO Loading...

Gamma-aminobutyric acid type A receptor subunit alpha3

AlphaFold DB , UniProt , Accession A0A087YMH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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	32.3	Very low	35	Very low	244 Å²	244	154.3 Å²	154.3	100%	1.202	85%	0.847	S	S	*	*				0	119.2	0	-77.5	-179	-103.2	0	0	107.2
2	A	37.7	Very low	35.3	Very low	109 Å²	109	157.3 Å²	157.3	90%	0.901	85%	0.851	S	S	*	*			cis	-111	102.4	7.9	0	0	0	0	0	110.7
3	A	32.8	Very low	35.9	Very low	92 Å²	92	159.8 Å²	159.8	76%	0.76	85%	0.853	S	S	*	*			trans	-90.8	134.7	162.1	0	0	0	0	0	106.8
4	L	32.4	Very low	36.7	Very low	168 Å²	168	158.9 Å²	158.9	88%	0.88	85%	0.849	S	S	*	*			trans	-137.7	96.7	162.6	-98.3	159.8	0	0	0	109.1
5	Q	35.2	Very low	37	Very low	171 Å²	171	158.5 Å²	158.5	80%	0.799	85%	0.845	S	S	*	*			trans	-13.3	160.7	133.6	-83.8	-176.8	-25.2	0	0	116.5
6	W	31.4	Very low	37.4	Very low	205 Å²	205	163.1 Å²	163.1	78%	0.777	85%	0.847	S	S	*	*			cis	175.1	152.8	-18.4	-129.1	73.7	0	0	0	104.2
7	K	30.9	Very low	38	Very low	175 Å²	175	161.8 Å²	161.8	76%	0.761	84%	0.84	S	S	*	*			trans	66.8	114.7	157.4	-114.4	168.9	-176	158.9	0	117.6
8	A	41.4	Very low	38.3	Very low	96 Å²	96	163.3 Å²	163.3	79%	0.793	84%	0.84	S	S	*	*			cis	91.3	143.3	48.4	0	0	0	0	0	115.5
9	K	34.4	Very low	38.5	Very low	210 Å²	210	162.9 Å²	162.9	91%	0.913	84%	0.838	S	S	*	*			trans	86.7	140.3	-175.4	-90.9	-179.2	175	179.9	0	115.2
10	S	34	Very low	38.7	Very low	108 Å²	108	162.7 Å²	162.7	76%	0.755	84%	0.837	S	S	*	*			cis	-163.2	173.7	14.9	46.3	0	0	0	0	110.6
11	P	42.5	Very low	38.7	Very low	119 Å²	119	164.1 Å²	164.1	77%	0.773	84%	0.838	S	S	*	*			trans	-108.1	135.4	-149.1	38.1	-29.1	0	0	0	114.2
12	Q	38.2	Very low	39.1	Very low	191 Å²	191	160.3 Å²	160.3	89%	0.893	82%	0.822	S	S	*	*			trans	-164.7	64.6	160.8	-129.6	-178	-0.1	0	0	111.8
13	Q	43	Very low	39.1	Very low	189 Å²	189	159.9 Å²	159.9	88%	0.883	81%	0.812	S	S	*	*			trans	-164.8	75.4	172.3	-110.3	168.1	16.3	0	0	109.7
14	N	47.2	Very low	39.3	Very low	148 Å²	148	163.6 Å²	163.6	79%	0.791	82%	0.818	S	S	*	*			trans	-157.1	63.4	168.3	-98	-17.4	0	0	0	110
15	L	42.1	Very low	39.5	Very low	152 Å²	152	163.5 Å²	163.5	80%	0.796	82%	0.818	S	S	*	*	S	Bend	trans	-138.3	11.5	173.6	-140.8	85.5	0	0	0	114.7
16	W	42.9	Very low	40.2	Very low	233 Å²	233	160.6 Å²	160.6	88%	0.883	81%	0.814	S	S	*	*	S	Bend	trans	-120.9	-0.3	-178.6	-75.9	96.4	0	0	0	115.1
17	I	48	Very low	40.3	Very low	141 Å²	141	160.2 Å²	160.2	72%	0.723	82%	0.821	S	S	*	*	S	Bend	trans	-101.7	-9.9	-177	-59.7	175.3	0	0	0	112.4
18	F	43.4	Very low	40.9	Very low	189 Å²	189	157 Å²	157	83%	0.829	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	0.3	-174.1	-133.7	-92	0	0	0	115.5
19	L	41.8	Very low	40.6	Very low	156 Å²	156	163.6 Å²	163.6	82%	0.817	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	6.3	-175.3	-77.5	170.7	0	0	0	115.4
20	L	42	Very low	40.9	Very low	157 Å²	157	158.5 Å²	158.5	82%	0.822	83%	0.828	S	S	*	*	S	Bend	trans	-106.8	2.8	178	-105.2	154.5	0	0	0	114.5
21	F	39.5	Very low	41	Very low	194 Å²	194	159.6 Å²	159.6	85%	0.851	83%	0.83	S	S	*	*	S	Bend	trans	-113.3	14	-175	-115.8	-80.7	0	0	0	115.2
22	L	40.7	Very low	40.9	Very low	163 Å²	163	159.9 Å²	159.9	85%	0.853	83%	0.829	S	S	*	*	S	Bend	trans	-131.1	39.1	-172.7	-131.5	99.7	0	0	0	115.3
23	S	37.5	Very low	40.7	Very low	100 Å²	100	153.8 Å²	153.8	70%	0.699	82%	0.818	S	S	*	*	S	Bend	trans	-132.8	19.5	178	60.5	0	0	0	0	116.3
24	L	37.1	Very low	40.4	Very low	170 Å²	170	153.3 Å²	153.3	89%	0.89	82%	0.815	S	S	*	*			trans	-140.2	79.7	174.7	-76.4	168.3	0	0	0	113.6
25	L	36.6	Very low	40	Very low	167 Å²	167	156.2 Å²	156.2	87%	0.874	82%	0.815	S	S	*	*			trans	-149.8	152.9	145.3	-96.6	160	0	0	0	105.3
26	P	50.3	Low	39.9	Very low	110 Å²	110	157 Å²	157	71%	0.714	82%	0.815	S	S	*	*			cis	-135.8	172.6	-7.2	38.3	-20.7	0	0	0	113.4
27	E	32.1	Very low	39.9	Very low	197 Å²	197	151.5 Å²	151.5	92%	0.921	81%	0.809	S	S	*	*			trans	-159	126.7	134.9	-118.5	176.1	-163.9	0	0	111.3	R29	E27-R29 PolarHBondContact O-N 3.28Å
28	A	45.2	Very low	40.2	Very low	108 Å²	108	151.3 Å²	151.3	89%	0.893	81%	0.809	S	S	*	*			trans	-70.7	116.7	-179.8	0	0	0	0	0	110.4
29	R	34.2	Very low	40.5	Very low	234 Å²	234	147.3 Å²	147.3	88%	0.883	80%	0.801	S	S	*	*			trans	-110.9	114.9	161.6	-114	178.8	-179.9	177.8	0.7	108.7	E27 V31	E27-R29 PolarHBondContact O-N 3.28Å; R29-V31 PolarHBondContact O-N 2.6Å
30	A	41.5	Very low	41	Very low	103 Å²	103	144.6 Å²	144.6	85%	0.851	79%	0.788	S	S	*	*			trans	-58.7	107.3	170.3	0	0	0	0	0	109.5
31	V	35.4	Very low	41.5	Very low	131 Å²	131	141.5 Å²	141.5	79%	0.794	77%	0.772	S	S	*	*			trans	-89.6	107.8	163.6	178	0	0	0	0	105.8	R29 G33	R29-V31 PolarHBondContact O-N 2.6Å; V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 3.21Å
32	V	39.3	Very low	42.1	Very low	125 Å²	125	136.1 Å²	136.1	76%	0.758	76%	0.759	S	S	*	*			trans	-59	101.5	163.8	174.1	0	0	0	0	105.9	H34	V32-H34 PolarHBondContact O-N 3.48Å
33	G	34.4	Very low	42.7	Very low	63 Å²	63	136 Å²	136	65%	0.649	75%	0.751	S	S	*	*			trans	-61.9	107.2	164	0	0	0	0	0	106.6	V31 R35	V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 3.21Å; G33-R35 PolarHBondContact O-N 3Å
34	H	36.6	Very low	43.8	Very low	179 Å²	179	136 Å²	136	83%	0.829	74%	0.744	S	S	*	*			trans	-59.5	91.7	152.8	-100.9	-55.5	0	0	0	105.7	V32 E36	V32-H34 PolarHBondContact O-N 3.48Å; H34-E36 VanDerWaalsContact C-N 3.26Å; H34-E36 PolarHBondContact O-N 2.86Å
35	R	38.5	Very low	45.5	Very low	209 Å²	209	133.6 Å²	133.6	79%	0.789	73%	0.731	S	S	*	*			trans	-63.8	102.5	156.9	-162.1	172.6	-166	168.2	3	103	G33 P37	G33-R35 PolarHBondContact O-N 3Å; R35-P37 VanDerWaalsContact O-N 3.11Å
36	E	40.5	Very low	47.6	Very low	169 Å²	169	132 Å²	132	79%	0.79	72%	0.722	S	S	*	*			trans	-46.4	124.3	158.7	-73.4	-168.4	162.6	0	0	105.5	H34 L38	H34-E36 VanDerWaalsContact C-N 3.26Å; H34-E36 PolarHBondContact O-N 2.86Å; E36-L38 PolarHBondContact O-N 2.83Å
37	P	43.8	Very low	49.3	Very low	117 Å²	117	128.6 Å²	128.6	76%	0.76	70%	0.7	S	S	*	*			trans	-55.8	126	173.9	21.8	-27.8	0	0	0	105.7	R35	R35-P37 VanDerWaalsContact O-N 3.11Å
38	L	53.6	Low	51.9	Low	137 Å²	137	122.4 Å²	122.4	72%	0.717	67%	0.672	S	S	*	*			trans	-40.3	128.5	166.1	-76.8	152.9	0	0	0	106.6	E36 D40	E36-L38 PolarHBondContact O-N 2.83Å; L38-D40 PolarHBondContact O-N 3.46Å
39	P	49.4	Very low	53.9	Low	104 Å²	104	119.2 Å²	119.2	68%	0.675	64%	0.638	S	S	*	*			trans	-52.8	123.9	176	21.4	-28.9	0	0	0	106.3	D41	P39-D41 PolarHBondContact O-N 3.33Å
40	D	52.7	Low	56.6	Low	99 Å²	99	111.4 Å²	111.4	53%	0.529	62%	0.617	S	S	.	*			trans	-64.1	83.9	173.2	178.5	21.6	0	0	0	106.6	L38 S42 K43	L38-D40 PolarHBondContact O-N 3.46Å; D40-S42 PolarHBondContact O-N 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.38Å; D40-S42 PolarHBondContact OD1-OG 2.74Å; D40-S42 PolarHBondContact OD2-OG 2.99Å; D40-K43 PolarHBondContact O-N 3.07Å; D40-K43 IonicContact OD2-NZ 4Å
41	D	52	Low	58.9	Low	93 Å²	93	113.6 Å²	113.6	50%	0.497	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	-0.5	-178.2	-110	-2.2	0	0	0	112.6	P39 K43 T47	P39-D41 PolarHBondContact O-N 3.33Å; D41-K43 VanDerWaalsContact C-N 3.26Å; D41-K43 PolarHBondContact O-N 3.03Å; D41-T47 PolarHBondContact O-OG1 2.85Å
42	S	53.2	Low	61.5	Low	81 Å²	81	108.4 Å²	108.4	57%	0.566	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-3.7	176.4	75.2	0	0	0	0	114.1	D40	D40-S42 PolarHBondContact O-N 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.38Å; D40-S42 PolarHBondContact OD1-OG 2.74Å; D40-S42 PolarHBondContact OD2-OG 2.99Å
43	K	52.2	Low	63.9	Low	159 Å²	159	104.7 Å²	104.7	69%	0.691	55%	0.546	S	S	*	.	S	Bend	trans	-111.6	-12	-176.1	-69.4	-176.9	-177.1	171.3	0	116.2	D40 D41 N45	D40-K43 PolarHBondContact O-N 3.07Å; D40-K43 IonicContact OD2-NZ 4Å; D41-K43 VanDerWaalsContact C-N 3.26Å; D41-K43 PolarHBondContact O-N 3.03Å; K43-N45 PolarHBondContact O-N 3.06Å
44	D	60.8	Low	66.5	Low	102 Å²	102	106.6 Å²	106.6	55%	0.545	54%	0.542	S	S	.	.			trans	-95.5	103.2	179.9	-74.1	-11.9	0	0	0	110.2	I46 T47	D44-I46 PolarHBondContact O-N 2.79Å; D44-T47 HydrophobicContact CB-CG2 4.3Å; D44-T47 PolarHBondContact O-N 3.02Å; D44-T47 PolarHBondContact O-OG1 2.91Å
45	N	72.8	Confident	69.1	Low	118 Å²	118	106.4 Å²	106.4	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-50.1	-24.9	179.9	-70.5	-34	0	0	0	113.5	K43 F49	K43-N45 PolarHBondContact O-N 3.06Å; N45-F49 WeakPolarHBondContact O-CD2 3.48Å; N45-F49 WeakPolarHBondContact O-CE2 3.4Å
46	I	81.8	Confident	71.7	Confident	133 Å²	133	97.4 Å²	97.4	68%	0.682	50%	0.501	S	S	*	.	H	α-helix	trans	-73.1	-40.9	179.7	-57.9	171.4	0	0	0	112.2	D44 I48 F49 T50	D44-I46 PolarHBondContact O-N 2.79Å; I46-I48 PolarHBondContact O-N 3.15Å; I46-F49 PolarHBondContact O-N 3.48Å; I46-F49 VanDerWaalsContact O-N 3.16Å; I46-T50 PolarHBondContact O-N 3.3Å; I46-T50 VanDerWaalsContact O-N 3.09Å; I46-T50 PolarHBondContact O-OG1 3.38Å
47	T	85.6	Confident	74.1	Confident	40 Å²	40	91.5 Å²	91.5	25%	0.245	47%	0.474	C	S	.	.	H	α-helix	trans	-67	-29.3	-179.5	53.9	0	0	0	0	111.5	D41 D44 T50 R51	D41-T47 PolarHBondContact O-OG1 2.85Å; D44-T47 HydrophobicContact CB-CG2 4.3Å; D44-T47 PolarHBondContact O-N 3.02Å; D44-T47 PolarHBondContact O-OG1 2.91Å; T47-T50 PolarHBondContact O-N 3.08Å; T47-R51 WeakPolarHBondContact O-CG 3.36Å; T47-R51 PolarHBondContact O-N 3.28Å
48	I	86.6	Confident	76.5	Confident	66 Å²	66	92.5 Å²	92.5	34%	0.338	47%	0.474	S	S	.	.	H	α-helix	trans	-60.5	-49.4	171.2	-60.4	176.2	0	0	0	110.6	I46 T50 R51 I52	I46-I48 PolarHBondContact O-N 3.15Å; I48-T50 PolarHBondContact O-N 2.9Å; I48-R51 PolarHBondContact O-N 3.16Å; I48-I52 HydrophobicContact CG2-CD1 3.93Å; I48-I52 WeakPolarHBondContact O-CG1 3.35Å; I48-I52 PolarHBondContact O-N 3.35Å
49	F	87.3	Confident	78.4	Confident	42 Å²	42	89.8 Å²	89.8	18%	0.184	48%	0.478	C	S	.	.	H	α-helix	trans	-65.3	-38.9	179.3	-70.4	-68.5	0	0	0	112.8	N45 I46 I52 L53 P114 M115 L118	N45-F49 WeakPolarHBondContact O-CD2 3.48Å; N45-F49 WeakPolarHBondContact O-CE2 3.4Å; I46-F49 PolarHBondContact O-N 3.48Å; I46-F49 VanDerWaalsContact O-N 3.16Å; F49-I52 PolarHBondContact O-N 3.02Å; F49-L53 WeakPolarHBondContact O-CG 3.32Å; F49-L53 PolarHBondContact O-N 3.29Å; F49-P114 HydrophobicContact CE1-CG 4.13Å; F49-P114 HydrophobicContact CZ-CG 3.79Å; F49-M115 HydrophobicContact CE1-CB 4.2Å; F49-M115 HydrophobicContact CE1-CG 4.13Å; F49-M115 HydrophobicContact CE1-SD 4.06Å; F49-M115 HydrophobicContact CZ-CB 4.41Å; F49-M115 HydrophobicContact CZ-CE 4.21Å; F49-M115 HydrophobicContact CZ-CG 3.86Å; F49-M115 HydrophobicContact CZ-SD 3.74Å; F49-L118 HydrophobicContact CD1-CD2 3.77Å; F49-L118 HydrophobicContact CE1-CD2 3.74Å
50	T	89.9	Confident	80.6	Confident	70 Å²	70	86.3 Å²	86.3	43%	0.429	45%	0.452	S	S	.	.	H	α-helix	trans	-60.4	-46.3	174.7	-54.2	0	0	0	0	110.9	I46 T47 I48 I52 L53 D54	I46-T50 PolarHBondContact O-N 3.3Å; I46-T50 VanDerWaalsContact O-N 3.09Å; I46-T50 PolarHBondContact O-OG1 3.38Å; T47-T50 PolarHBondContact O-N 3.08Å; I48-T50 PolarHBondContact O-N 2.9Å; T50-I52 VanDerWaalsContact C-N 3.33Å; T50-I52 PolarHBondContact O-N 3.48Å; T50-L53 PolarHBondContact O-N 2.77Å; T50-D54 PolarHBondContact O-N 2.69Å
51	R	89.8	Confident	82.5	Confident	149 Å²	149	83.6 Å²	83.6	56%	0.562	44%	0.437	S	S	*	.	H	α-helix	trans	-63.3	-36.2	176.4	-75.5	176.6	69.1	165.2	1.6	113.1	T47 I48 R55	T47-R51 WeakPolarHBondContact O-CG 3.36Å; T47-R51 PolarHBondContact O-N 3.28Å; I48-R51 PolarHBondContact O-N 3.16Å; R51-R55 WeakPolarHBondContact O-CB 3.32Å; R51-R55 VanDerWaalsContact O-CG 3.24Å; R51-R55 WeakPolarHBondContact O-CG 3.46Å; R51-R55 PolarHBondContact O-N 2.89Å; R51-R55 VanDerWaalsContact O-N 3.1Å
52	I	90.1	Very high	84.5	Confident	21 Å²	21	82.4 Å²	82.4	11%	0.108	43%	0.431	C	S	.	.	H	α-helix	trans	-64.2	-47.5	174.5	-69.8	167.4	0	0	0	109.8	I48 F49 T50 R55 L56 F111	I48-I52 HydrophobicContact CG2-CD1 3.93Å; I48-I52 WeakPolarHBondContact O-CG1 3.35Å; I48-I52 PolarHBondContact O-N 3.35Å; F49-I52 PolarHBondContact O-N 3.02Å; T50-I52 VanDerWaalsContact C-N 3.33Å; T50-I52 PolarHBondContact O-N 3.48Å; I52-R55 PolarHBondContact O-N 3.25Å; I52-L56 HydrophobicContact CG2-CD1 4.08Å; I52-L56 HydrophobicContact CG2-CG 4.43Å; I52-L56 WeakPolarHBondContact O-CB 2.99Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.43Å; I52-L56 PolarHBondContact O-N 3.31Å; I52-F111 HydrophobicContact CG2-CB 3.89Å; I52-F111 HydrophobicContact CG2-CD2 4Å; I52-F111 HydrophobicContact CG2-CG 4.13Å
53	L	89.4	Confident	86.4	Confident	47 Å²	47	87.5 Å²	87.5	25%	0.246	44%	0.438	C	S	.	.	H	α-helix	trans	-64.8	-41.5	-179.4	-72.8	167.8	0	0	0	112.8	F49 T50 L56 L57 L120 L124	F49-L53 WeakPolarHBondContact O-CG 3.32Å; F49-L53 PolarHBondContact O-N 3.29Å; T50-L53 PolarHBondContact O-N 2.77Å; L53-L56 PolarHBondContact O-N 2.86Å; L53-L57 WeakPolarHBondContact O-CG 3.39Å; L53-L57 PolarHBondContact O-N 2.94Å; L53-L120 HydrophobicContact CD1-CD2 4.29Å; L53-L120 HydrophobicContact CD2-CD1 4.38Å; L53-L120 HydrophobicContact CD2-CD2 3.65Å; L53-L124 HydrophobicContact CD2-CD2 4.12Å
54	D	90.8	Very high	88.4	Confident	104 Å²	104	83.6 Å²	83.6	56%	0.556	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-40.4	177.3	-70.5	-24.7	0	0	0	111.3	T50 L56 L57 D58	T50-D54 PolarHBondContact O-N 2.69Å; D54-L56 VanDerWaalsContact C-N 3.35Å; D54-L56 PolarHBondContact O-N 3.33Å; D54-L57 PolarHBondContact O-N 3.49Å; D54-D58 PolarHBondContact O-N 3.38Å; D54-D58 VanDerWaalsContact O-N 3.07Å
55	R	91.1	Very high	90.1	Very high	175 Å²	175	79.5 Å²	79.5	66%	0.66	40%	0.401	S	S	*	.	H	α-helix	trans	-64.3	-37.5	174.2	-78.5	176.8	176.2	-179.9	-2.7	113	R51 I52 L57 D58	R51-R55 WeakPolarHBondContact O-CB 3.32Å; R51-R55 VanDerWaalsContact O-CG 3.24Å; R51-R55 WeakPolarHBondContact O-CG 3.46Å; R51-R55 PolarHBondContact O-N 2.89Å; R51-R55 VanDerWaalsContact O-N 3.1Å; I52-R55 PolarHBondContact O-N 3.25Å; R55-L57 PolarHBondContact O-N 2.93Å; R55-D58 PolarHBondContact O-N 3.36Å
56	L	91.5	Very high	91.2	Very high	20 Å²	20	74.3 Å²	74.3	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-64.5	-31.1	177.7	-82.1	176.3	0	0	0	112.7	I52 L53 D54 L109 K110 F111 L155	I52-L56 HydrophobicContact CG2-CD1 4.08Å; I52-L56 HydrophobicContact CG2-CG 4.43Å; I52-L56 WeakPolarHBondContact O-CB 2.99Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.43Å; I52-L56 PolarHBondContact O-N 3.31Å; L53-L56 PolarHBondContact O-N 2.86Å; D54-L56 VanDerWaalsContact C-N 3.35Å; D54-L56 PolarHBondContact O-N 3.33Å; L56-L109 HydrophobicContact CB-CD2 4.42Å; L56-L109 HydrophobicContact CD2-CD2 4.49Å; L56-K110 WeakPolarHBondContact CD2-O 3.26Å; L56-F111 HydrophobicContact CD1-CB 4.06Å; L56-F111 HydrophobicContact CD1-CD1 4.26Å; L56-F111 HydrophobicContact CD1-CG 4.31Å; L56-F111 HydrophobicContact CD2-CB 4Å; L56-F111 HydrophobicContact CG-CB 4.25Å; L56-L155 HydrophobicContact CD1-CD2 3.84Å
57	L	92.3	Very high	91.6	Very high	44 Å²	44	69 Å²	69	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-93	-11.6	179.9	-64.3	179.2	0	0	0	113.4	L53 D54 R55 G59 Y60 L124 K127 I128	L53-L57 WeakPolarHBondContact O-CG 3.39Å; L53-L57 PolarHBondContact O-N 2.94Å; D54-L57 PolarHBondContact O-N 3.49Å; R55-L57 PolarHBondContact O-N 2.93Å; L57-G59 PolarHBondContact O-N 2.83Å; L57-Y60 PolarHBondContact O-N 2.98Å; L57-L124 HydrophobicContact CD1-CD1 3.63Å; L57-L124 HydrophobicContact CD2-CD1 4.01Å; L57-L124 HydrophobicContact CG-CD1 4.23Å; L57-K127 HydrophobicContact CD1-CD 3.93Å; L57-K127 HydrophobicContact CD2-CB 4.37Å; L57-I128 HydrophobicContact CD2-CG2 4.3Å
58	D	93.9	Very high	91.9	Very high	139 Å²	139	71.7 Å²	71.7	74%	0.743	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	122	178.8	-167.9	15	0	0	0	110.4	D54 R55 Y60	D54-D58 PolarHBondContact O-N 3.38Å; D54-D58 VanDerWaalsContact O-N 3.07Å; R55-D58 PolarHBondContact O-N 3.36Å; D58-Y60 PolarHBondContact O-N 3.42Å
59	G	92.6	Very high	92	Very high	79 Å²	79	72.4 Å²	72.4	81%	0.814	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	8.3	-175.3	0	0	0	0	0	115.8	L57 D61	L57-G59 PolarHBondContact O-N 2.83Å; G59-D61 PolarHBondContact O-N 2.9Å
60	Y	95.1	Very high	92.2	Very high	32 Å²	32	78.5 Å²	78.5	13%	0.125	42%	0.416	C	S	.	.			trans	-77.4	119	178.5	-170.9	-83.6	0	0	0	111.8	L57 D58 N62 D106 R108 L109 I128 W129	L57-Y60 PolarHBondContact O-N 2.98Å; D58-Y60 PolarHBondContact O-N 3.42Å; Y60-N62 HydrophobicContact CD1-CB 4.35Å; Y60-N62 HydrophobicContact CE1-CB 4.02Å; Y60-D106 WeakPolarHBondContact CE2-OD2 3.42Å; Y60-D106 PolarHBondContact OH-OD2 2.77Å; Y60-R108 HydrophobicContact CD2-CB 4.05Å; Y60-R108 HydrophobicContact CE2-CB 4.01Å; Y60-R108 PolarHBondContact OH-NH2 3.25Å; Y60-R108 VanDerWaalsContact OH-NH2 3.14Å; Y60-L109 HydrophobicContact CD2-CD2 3.93Å; Y60-L109 HydrophobicContact CD2-CG 4.28Å; Y60-L109 HydrophobicContact CE2-CD1 3.98Å; Y60-L109 HydrophobicContact CE2-CD2 3.88Å; Y60-L109 HydrophobicContact CE2-CG 3.77Å; Y60-I128 HydrophobicContact CE1-CB 4.16Å; Y60-I128 HydrophobicContact CE1-CG2 4.34Å; Y60-W129 PolarHBondContact OH-N 3.45Å; Y60-W129 VanDerWaalsContact OH-N 3.09Å
61	D	94.2	Very high	92.4	Very high	41 Å²	41	78.4 Å²	78.4	22%	0.219	42%	0.419	C	S	.	.			trans	-97.9	111.4	171.8	-164.9	-20.5	0	0	0	111.1	G59 R63 L64 R108	G59-D61 PolarHBondContact O-N 2.9Å; D61-R63 VanDerWaalsContact C-N 3.27Å; D61-R63 PolarHBondContact O-N 3.36Å; D61-R63 VanDerWaalsContact OD1-CB 3.3Å; D61-R63 WeakPolarHBondContact OD1-CB 3.42Å; D61-R63 WeakPolarHBondContact OD1-CG 3.16Å; D61-R63 IonicContact OD1-CZ 3.92Å; D61-R63 PolarHBondContact OD1-N 3.27Å; D61-R63 IonicContact OD1-NE 3.38Å; D61-R63 PolarHBondContact OD1-NE 2.93Å; D61-R63 IonicContact OD1-NH2 3.51Å; D61-R63 IonicContact OD2-CZ 3.74Å; D61-R63 IonicContact OD2-NE 3.42Å; D61-R63 PolarHBondContact OD2-NE 3.21Å; D61-R63 IonicContact OD2-NH2 3.74Å; D61-R63 PolarHBondContact OD2-NH2 2.97Å; D61-L64 HydrophobicContact CB-CD1 4.2Å; D61-L64 HydrophobicContact CB-CG 4.3Å; D61-L64 PolarHBondContact O-N 3.4Å; D61-R108 PolarHBondContact O-NH1 3.45Å
62	N	93.6	Very high	92.6	Very high	69 Å²	69	73.9 Å²	73.9	37%	0.369	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.1	-178.8	68.6	-7.6	0	0	0	114.5	Y60 L64 K127	Y60-N62 HydrophobicContact CD1-CB 4.35Å; Y60-N62 HydrophobicContact CE1-CB 4.02Å; N62-L64 VanDerWaalsContact C-N 3.29Å; N62-K127 WeakPolarHBondContact CB-O 3.48Å
63	R	93.3	Very high	92.9	Very high	188 Å²	188	73.1 Å²	73.1	71%	0.709	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.1	176	-58.7	171	-67.5	176	1.9	111.9	D61	D61-R63 VanDerWaalsContact C-N 3.27Å; D61-R63 PolarHBondContact O-N 3.36Å; D61-R63 VanDerWaalsContact OD1-CB 3.3Å; D61-R63 WeakPolarHBondContact OD1-CB 3.42Å; D61-R63 WeakPolarHBondContact OD1-CG 3.16Å; D61-R63 IonicContact OD1-CZ 3.92Å; D61-R63 PolarHBondContact OD1-N 3.27Å; D61-R63 IonicContact OD1-NE 3.38Å; D61-R63 PolarHBondContact OD1-NE 2.93Å; D61-R63 IonicContact OD1-NH2 3.51Å; D61-R63 IonicContact OD2-CZ 3.74Å; D61-R63 IonicContact OD2-NE 3.42Å; D61-R63 PolarHBondContact OD2-NE 3.21Å; D61-R63 IonicContact OD2-NH2 3.74Å; D61-R63 PolarHBondContact OD2-NH2 2.97Å
64	L	94.7	Very high	93.2	Very high	76 Å²	76	75.4 Å²	75.4	40%	0.398	41%	0.414	S	S	.	.	S	Bend	trans	-103.2	126.2	-175.7	-53.5	179.9	0	0	0	110.6	D61 N62 L68 R108	D61-L64 HydrophobicContact CB-CD1 4.2Å; D61-L64 HydrophobicContact CB-CG 4.3Å; D61-L64 PolarHBondContact O-N 3.4Å; N62-L64 VanDerWaalsContact C-N 3.29Å; L64-L68 HydrophobicContact CB-CD2 4.45Å; L64-L68 HydrophobicContact CD2-CD2 3.93Å; L64-R108 PolarHBondContact O-NH1 3.09Å; L64-R108 PolarHBondContact O-NH2 3.28Å
65	R	95.1	Very high	93.6	Very high	17 Å²	17	70.5 Å²	70.5	6%	0.064	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.3	150.6	172.3	73.7	171.2	-175.1	79.7	-1	111	G67 L68 S71 T73 W129 Y196 E200	R65-G67 PolarHBondContact NH1-O 3.1Å; R65-L68 HydrophobicContact CG-CB 4.39Å; R65-L68 HydrophobicContact CG-CD1 4.32Å; R65-S71 PolarHBondContact NH1-O 2.88Å; R65-S71 PolarHBondContact NH2-O 3.4Å; R65-T73 PolarHBondContact NH1-OG1 3.09Å; R65-W129 HydrophobicContact CB-CD2 4.27Å; R65-W129 HydrophobicContact CB-CH2 4.41Å; R65-W129 HydrophobicContact CB-CZ2 3.66Å; R65-Y196 HydrophobicContact CB-CE1 4.36Å; R65-Y196 HydrophobicContact CG-CE1 4.45Å; R65-E200 PolarHBondContact NH1-O 3.23Å
66	P	95.5	Very high	93.8	Very high	8 Å²	8	68 Å²	68	5%	0.052	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	138.1	173.3	26.7	-33.1	0	0	0	111.4	T73 D106 W129	P66-T73 HydrophobicContact CG-CG2 3.75Å; P66-T73 PolarHBondContact O-OG1 3.17Å; P66-D106 HydrophobicContact CB-CB 4.08Å; P66-D106 HydrophobicContact CG-CB 4.38Å; P66-W129 VanDerWaalsContact CD-CE3 3.46Å; P66-W129 HydrophobicContact CG-CE3 4.16Å; P66-W129 HydrophobicContact CG-CZ3 4.19Å
67	G	91.6	Very high	94	Very high	21 Å²	21	67.1 Å²	67.1	22%	0.216	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	21.9	-179.2	0	0	0	0	0	114.5	R65 G69 E70 S71	R65-G67 PolarHBondContact NH1-O 3.1Å; G67-G69 PolarHBondContact O-N 2.66Å; G67-G69 VanDerWaalsContact O-N 3.15Å; G67-E70 PolarHBondContact O-N 3.47Å; G67-S71 PolarHBondContact O-N 3.48Å
68	L	92.2	Very high	94.1	Very high	97 Å²	97	65.5 Å²	65.5	51%	0.508	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	118.5	175.6	-176.3	69.9	0	0	0	110.7	L64 R65 E70	L64-L68 HydrophobicContact CB-CD2 4.45Å; L64-L68 HydrophobicContact CD2-CD2 3.93Å; R65-L68 HydrophobicContact CG-CB 4.39Å; R65-L68 HydrophobicContact CG-CD1 4.32Å; L68-E70 VanDerWaalsContact C-N 3.31Å
69	G	88.6	Confident	94.2	Very high	81 Å²	81	58.9 Å²	58.9	84%	0.835	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-6.2	-179.1	0	0	0	0	0	115.5	G67	G67-G69 PolarHBondContact O-N 2.66Å; G67-G69 VanDerWaalsContact O-N 3.15Å
70	E	90.4	Very high	94.4	Very high	170 Å²	170	58.9 Å²	58.9	79%	0.794	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-57.1	-177.1	-64.4	-179	167.4	0	0	112	G67 L68	G67-E70 PolarHBondContact O-N 3.47Å; L68-E70 VanDerWaalsContact C-N 3.31Å
71	S	93.6	Very high	94.4	Very high	68 Å²	68	57.3 Å²	57.3	48%	0.476	30%	0.299	S	S	.	.			trans	-141.8	161.6	-173.3	73.1	0	0	0	0	112.3	R65 G67	R65-S71 PolarHBondContact NH1-O 2.88Å; R65-S71 PolarHBondContact NH2-O 3.4Å; G67-S71 PolarHBondContact O-N 3.48Å
72	V	95.6	Very high	94.5	Very high	54 Å²	54	56.8 Å²	56.8	33%	0.327	30%	0.297	S	S	.	.			trans	-72	136.7	169.6	-171.3	0	0	0	0	108.6	E74 I202	V72-E74 PolarHBondContact O-N 3.09Å; V72-I202 HydrophobicContact CG1-CB 4.28Å; V72-I202 HydrophobicContact CG1-CD1 4.39Å; V72-I202 HydrophobicContact CG1-CG1 3.87Å; V72-I202 HydrophobicContact CG1-CG2 3.83Å
73	T	96.5	Very high	94.5	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	114.6	174	-50.2	0	0	0	0	109.5	R65 P66 V75 W129 E200 V201 I202	R65-T73 PolarHBondContact NH1-OG1 3.09Å; P66-T73 HydrophobicContact CG-CG2 3.75Å; P66-T73 PolarHBondContact O-OG1 3.17Å; T73-V75 HydrophobicContact CG2-CG2 4.43Å; T73-W129 HydrophobicContact CG2-CH2 4.06Å; T73-W129 HydrophobicContact CG2-CZ3 4.16Å; T73-E200 PolarHBondContact N-O 3.5Å; T73-V201 WeakPolarHBondContact O-CA 3.42Å; T73-I202 PolarHBondContact O-N 2.73Å
74	E	96.1	Very high	94.6	Very high	95 Å²	95	44.9 Å²	44.9	44%	0.444	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.8	175.5	-58.2	-169.4	168.1	0	0	111.2	V72 W104 I202 L204	V72-E74 PolarHBondContact O-N 3.09Å; E74-W104 WeakPolarHBondContact O-CB 3.45Å; E74-I202 HydrophobicContact CB-CG1 4.43Å; E74-I202 HydrophobicContact CG-CD1 3.99Å; E74-I202 HydrophobicContact CG-CG1 3.95Å; E74-L204 HydrophobicContact CB-CD1 4.41Å; E74-L204 HydrophobicContact CG-CD1 4.46Å
75	V	97.3	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.4	176.5	-176	0	0	0	0	109.1	T73 T77 Q102 W104 P131 V201 I202 Y203 L204	T73-V75 HydrophobicContact CG2-CG2 4.43Å; V75-T77 HydrophobicContact CG1-CG2 4.18Å; V75-Q102 HydrophobicContact CG1-CB 4.15Å; V75-W104 HydrophobicContact CG2-CB 4.28Å; V75-P131 HydrophobicContact CG1-CG 4.18Å; V75-P131 HydrophobicContact CG2-CB 4.16Å; V75-P131 HydrophobicContact CG2-CG 4.43Å; V75-V201 HydrophobicContact CG2-CG1 3.84Å; V75-I202 PolarHBondContact N-O 2.92Å; V75-Y203 HydrophobicContact CB-CD1 4.17Å; V75-Y203 HydrophobicContact CB-CE1 4.19Å; V75-Y203 HydrophobicContact CG1-CD1 4.13Å; V75-Y203 HydrophobicContact CG1-CE1 3.94Å; V75-Y203 WeakPolarHBondContact O-CA 3.38Å; V75-L204 PolarHBondContact O-N 2.84Å
76	R	96.4	Very high	94.4	Very high	124 Å²	124	44.9 Å²	44.9	47%	0.468	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.7	175	-63.2	-174.3	-179.8	-162.6	-0.3	110.5	Q102 S103 L204	R76-Q102 CarbonylContact O-C 3.58Å; R76-Q102 WeakPolarHBondContact O-CA 3.48Å; R76-S103 PolarHBondContact N-O 3.3Å; R76-S103 PolarHBondContact O-N 3.34Å; R76-L204 CarbonylContact C-O 3.56Å; R76-L204 VanDerWaalsContact CA-O 3.26Å; R76-L204 WeakPolarHBondContact CA-O 3.19Å
77	T	96.1	Very high	94.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144	-176	52.4	0	0	0	0	112.9	V75 F100 R101 Q102 F191 Y203 L204 T206	V75-T77 HydrophobicContact CG1-CG2 4.18Å; T77-F100 HydrophobicContact CG2-CZ 4.18Å; T77-R101 WeakPolarHBondContact CA-O 3.43Å; T77-Q102 HydrophobicContact CG2-CG 4.25Å; T77-F191 HydrophobicContact CG2-CE2 3.97Å; T77-Y203 HydrophobicContact CG2-CD1 3.64Å; T77-Y203 HydrophobicContact CG2-CE1 4.14Å; T77-L204 PolarHBondContact N-O 2.97Å; T77-L204 PolarHBondContact OG1-O 3.04Å; T77-T206 PolarHBondContact N-OG1 3.04Å; T77-T206 PolarHBondContact O-N 3.4Å; T77-T206 VanDerWaalsContact O-N 3.09Å; T77-T206 PolarHBondContact O-OG1 2.94Å
78	N	94.8	Very high	94.5	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.1	175	169	-109.1	0	0	0	109.1	R101 S212	N78-R101 HydrophobicContact CB-CB 4.2Å; N78-R101 PolarHBondContact N-O 2.76Å; N78-R101 WeakPolarHBondContact O-CB 3.31Å; N78-R101 PolarHBondContact O-N 2.74Å; N78-R101 WeakPolarHBondContact OD1-CD 3.47Å; N78-R101 PolarHBondContact OD1-NH1 2.83Å; N78-S212 WeakPolarHBondContact CA-O 3.3Å; N78-S212 PolarHBondContact ND2-O 2.87Å
79	I	95.9	Very high	94.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.7	179.7	-54.5	-177	0	0	0	108.3	V81 V98 F100 L189 F191 W205 S212 V213 S214	I79-V81 HydrophobicContact CG2-CG2 4.21Å; I79-V98 HydrophobicContact CG2-CB 3.91Å; I79-V98 HydrophobicContact CG2-CG1 3.83Å; I79-F100 HydrophobicContact CD1-CD2 4.13Å; I79-F100 HydrophobicContact CD1-CE2 4.05Å; I79-F100 HydrophobicContact CG1-CD2 3.87Å; I79-F100 HydrophobicContact CG1-CE2 4.04Å; I79-L189 HydrophobicContact CD1-CD2 4.37Å; I79-F191 HydrophobicContact CD1-CD1 4.32Å; I79-F191 HydrophobicContact CD1-CE1 3.66Å; I79-F191 HydrophobicContact CD1-CZ 4.27Å; I79-W205 HydrophobicContact CD1-CH2 4.24Å; I79-W205 HydrophobicContact CD1-CZ3 4.35Å; I79-W205 HydrophobicContact CG1-CZ3 4.28Å; I79-S212 PolarHBondContact N-O 2.88Å; I79-V213 HydrophobicContact CB-CG2 4.17Å; I79-V213 WeakPolarHBondContact O-CA 3.41Å; I79-S214 PolarHBondContact O-N 3.08Å
80	Y	95.4	Very high	94.6	Very high	78 Å²	78	41.8 Å²	41.8	31%	0.306	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.8	167.3	-178.5	-86.2	0	0	0	108.5	T82 V98 F99 S214 A216	Y80-T82 HydrophobicContact CD1-CG2 3.9Å; Y80-T82 HydrophobicContact CE1-CG2 4Å; Y80-T82 PolarHBondContact O-N 3.19Å; Y80-V98 CarbonylContact O-C 3.48Å; Y80-V98 WeakPolarHBondContact O-CA 3.24Å; Y80-F99 AromaticContact CD1-CD2 3.88Å; Y80-F99 HydrophobicContact CD1-CD2 3.88Å; Y80-F99 PolarHBondContact N-O 3.07Å; Y80-F99 PolarHBondContact O-N 3.12Å; Y80-S214 CarbonylContact C-O 3.47Å; Y80-S214 WeakPolarHBondContact CA-O 3.37Å; Y80-S214 VanDerWaalsContact CD2-OG 3.24Å; Y80-S214 WeakPolarHBondContact CD2-OG 3.3Å; Y80-A216 HydrophobicContact CE1-CB 4.33Å
81	V	96.3	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.3	177.9	-176.5	0	0	0	0	108	I79 I96 V98 V213 S214 V215 A216 F251	I79-V81 HydrophobicContact CG2-CG2 4.21Å; V81-I96 HydrophobicContact CB-CD1 4.47Å; V81-I96 HydrophobicContact CG1-CD1 3.8Å; V81-I96 HydrophobicContact CG1-CG1 3.7Å; V81-I96 HydrophobicContact CG2-CD1 3.83Å; V81-V98 HydrophobicContact CG2-CG1 4.11Å; V81-V213 HydrophobicContact CG2-CG1 4.45Å; V81-S214 PolarHBondContact N-O 2.72Å; V81-V215 HydrophobicContact CB-CB 4.36Å; V81-V215 HydrophobicContact CB-CG1 4.22Å; V81-V215 HydrophobicContact CB-CG2 4.1Å; V81-V215 HydrophobicContact CG1-CG1 4.28Å; V81-V215 HydrophobicContact CG2-CG2 4.13Å; V81-A216 PolarHBondContact O-N 3.42Å; V81-F251 HydrophobicContact CG2-CE1 4.14Å; V81-F251 HydrophobicContact CG2-CZ 4.05Å
82	T	94.9	Very high	94.7	Very high	30 Å²	30	37.4 Å²	37.4	18%	0.184	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-41.4	177.8	55.2	0	0	0	0	111.2	Y80 D97 F99 G219	Y80-T82 HydrophobicContact CD1-CG2 3.9Å; Y80-T82 HydrophobicContact CE1-CG2 4Å; Y80-T82 PolarHBondContact O-N 3.19Å; T82-D97 PolarHBondContact N-O 2.8Å; T82-D97 VanDerWaalsContact OG1-CB 3.26Å; T82-D97 WeakPolarHBondContact OG1-CB 3.35Å; T82-D97 PolarHBondContact OG1-O 3.22Å; T82-D97 VanDerWaalsContact OG1-O 3.13Å; T82-F99 HydrophobicContact CG2-CD2 3.31Å; T82-F99 HydrophobicContact CG2-CE2 3.24Å; T82-F99 HydrophobicContact CG2-CG 4.28Å; T82-F99 HydrophobicContact CG2-CZ 4.17Å; T82-G219 WeakPolarHBondContact O-CA 3.31Å
83	S	94.8	Very high	94.7	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.4	175	36.1	0	0	0	0	111.9	D97 G219	S83-D97 PolarHBondContact N-O 3.49Å; S83-D97 PolarHBondContact O-N 3.46Å; S83-D97 WeakPolarHBondContact OG-CB 3.4Å; S83-D97 PolarHBondContact OG-OD2 3.29Å; S83-G219 CarbonylContact C-O 3.59Å; S83-G219 WeakPolarHBondContact CA-O 3.42Å; S83-G219 WeakPolarHBondContact CB-O 3.37Å
84	F	94.9	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.8	168.1	-154	-74.8	0	0	0	107.7	V87 Y94 I96 G219 R221 L222 L227 F251 L253	F84-V87 HydrophobicContact CE1-CG2 4.11Å; F84-Y94 AromaticContact CE1-CD2 3.81Å; F84-Y94 HydrophobicContact CE1-CD2 3.81Å; F84-Y94 HydrophobicContact CE1-CG 4.43Å; F84-Y94 HydrophobicContact CE2-CD2 4.07Å; F84-Y94 HydrophobicContact CE2-CE2 4.06Å; F84-Y94 AromaticContact CZ-CD2 3.35Å; F84-Y94 HydrophobicContact CZ-CD2 3.35Å; F84-Y94 AromaticContact CZ-CE2 3.74Å; F84-Y94 HydrophobicContact CZ-CE2 3.74Å; F84-Y94 HydrophobicContact CZ-CG 4.15Å; F84-I96 HydrophobicContact CD2-CD1 4.05Å; F84-I96 HydrophobicContact CD2-CG1 4.22Å; F84-I96 HydrophobicContact CE2-CD1 4.1Å; F84-G219 PolarHBondContact N-O 2.73Å; F84-R221 WeakPolarHBondContact O-CB 3.35Å; F84-R221 PolarHBondContact O-N 2.96Å; F84-R221 VanDerWaalsContact O-N 3.08Å; F84-L222 HydrophobicContact CB-CD1 4.46Å; F84-L222 HydrophobicContact CD1-CD1 3.72Å; F84-L222 HydrophobicContact CD1-CD2 3.69Å; F84-L222 HydrophobicContact CD1-CG 3.84Å; F84-L222 HydrophobicContact CE1-CD1 4.27Å; F84-L222 HydrophobicContact CE1-CD2 4.05Å; F84-L222 HydrophobicContact CG-CD1 4.24Å; F84-L227 HydrophobicContact CD2-CD2 4.47Å; F84-F251 HydrophobicContact CD2-CD1 4.45Å; F84-F251 HydrophobicContact CE2-CB 3.9Å; F84-F251 AromaticContact CE2-CD1 3.99Å; F84-F251 HydrophobicContact CE2-CD1 3.99Å; F84-F251 HydrophobicContact CE2-CD2 4.1Å; F84-F251 AromaticContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CZ-CB 4.31Å; F84-L253 HydrophobicContact CE1-CD1 4.16Å; F84-L253 HydrophobicContact CE1-CD2 4.14Å; F84-L253 HydrophobicContact CZ-CD1 4.11Å; F84-L253 HydrophobicContact CZ-CD2 4.11Å
85	G	92.6	Very high	94.7	Very high	4 Å²	4	33 Å²	33	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-173.7	-176.6	0	0	0	0	0	113	T95 L222	G85-T95 WeakPolarHBondContact CA-O 3.1Å; G85-T95 PolarHBondContact N-O 2.88Å; G85-L222 WeakPolarHBondContact O-CD2 3.1Å
86	P	93.7	Very high	94.6	Very high	90 Å²	90	33 Å²	33	58%	0.584	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	152.9	179	29.2	-34.8	0	0	0	111.7	T95	P86-T95 PolarHBondContact O-N 3.07Å; P86-T95 VanDerWaalsContact O-N 3.15Å
87	V	94.9	Very high	94.6	Very high	14 Å²	14	27.9 Å²	27.9	9%	0.085	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129	173.6	178.9	0	0	0	0	107.4	F84 M175 L222 Y225 L253	F84-V87 HydrophobicContact CE1-CG2 4.11Å; V87-M175 HydrophobicContact CG1-CE 3.32Å; V87-L222 HydrophobicContact CG2-CD2 3.68Å; V87-Y225 HydrophobicContact CB-CD2 3.97Å; V87-Y225 HydrophobicContact CB-CE2 3.84Å; V87-Y225 HydrophobicContact CG1-CD2 4.31Å; V87-Y225 HydrophobicContact CG1-CE2 3.75Å; V87-Y225 HydrophobicContact CG2-CD2 4.17Å; V87-Y225 HydrophobicContact CG2-CE2 4.43Å; V87-L253 HydrophobicContact CG2-CD1 3.82Å
88	S	93.9	Very high	94.6	Very high	31 Å²	31	27.9 Å²	27.9	22%	0.217	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	108.4	174.3	-178.3	0	0	0	0	109.1	T90 D91 M92 E93	S88-T90 VanDerWaalsContact C-N 3.29Å; S88-T90 PolarHBondContact OG-OG1 2.93Å; S88-T90 VanDerWaalsContact OG-OG1 3.09Å; S88-D91 PolarHBondContact OG-N 2.85Å; S88-D91 PolarHBondContact OG-OD2 2.79Å; S88-M92 WeakPolarHBondContact O-CA 3.37Å; S88-M92 PolarHBondContact O-N 2.82Å; S88-M92 VanDerWaalsContact O-N 3.09Å; S88-E93 PolarHBondContact N-O 3.24Å; S88-E93 PolarHBondContact O-N 3.31Å; S88-E93 VanDerWaalsContact O-N 3.15Å
89	D	92.1	Very high	94.7	Very high	16 Å²	16	30.8 Å²	30.8	9%	0.086	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-31.9	175.3	-60.3	-25.7	0	0	0	111.3	Y225 R255 P312	D89-Y225 PolarHBondContact OD1-OH 3.4Å; D89-R255 IonicContact OD1-CZ 2.9Å; D89-R255 IonicContact OD1-NH1 3.42Å; D89-R255 IonicContact OD1-NH2 3.36Å; D89-R255 IonicContact OD2-CZ 3.47Å; D89-R255 IonicContact OD2-NH1 2.73Å; D89-R255 PolarHBondContact OD2-NH1 3.03Å; D89-R255 IonicContact OD2-NH2 3.44Å; D89-R255 PolarHBondContact OD2-NH2 3.48Å; D89-P312 VanDerWaalsContact O-CG 3.23Å; D89-P312 WeakPolarHBondContact O-CG 3.48Å
90	T	90.6	Very high	94.7	Very high	80 Å²	80	30.8 Å²	30.8	49%	0.491	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-40.7	-177.7	47.6	0	0	0	0	112.5	S88	S88-T90 VanDerWaalsContact C-N 3.29Å; S88-T90 PolarHBondContact OG-OG1 2.93Å; S88-T90 VanDerWaalsContact OG-OG1 3.09Å
91	D	92.3	Very high	94.8	Very high	91 Å²	91	31.1 Å²	31.1	49%	0.487	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0	-177.7	-54.5	-58.8	0	0	0	112.8	S88 E93	S88-D91 PolarHBondContact OG-N 2.85Å; S88-D91 PolarHBondContact OG-OD2 2.79Å; D91-E93 VanDerWaalsContact C-N 3.3Å; D91-E93 HydrophobicContact CB-CG 3.87Å; D91-E93 PolarHBondContact O-N 3.3Å
92	M	93.8	Very high	94.8	Very high	55 Å²	55	31.2 Å²	31.2	27%	0.271	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	48.3	-176.1	-63.6	-174	176.9	0	0	112.3	S88 C173 P312 V314	S88-M92 WeakPolarHBondContact O-CA 3.37Å; S88-M92 PolarHBondContact O-N 2.82Å; S88-M92 VanDerWaalsContact O-N 3.09Å; M92-C173 PolarHBondContact O-N 3.24Å; M92-P312 HydrophobicContact CE-CB 4.42Å; M92-P312 HydrophobicContact CE-CG 4.39Å; M92-V314 HydrophobicContact CE-CG1 4.46Å
93	E	95.5	Very high	94.9	Very high	39 Å²	39	31 Å²	31	18%	0.182	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.5	-177.6	70.2	-176.6	-144.7	0	0	112	S88 D91 K139 A171	S88-E93 PolarHBondContact N-O 3.24Å; S88-E93 PolarHBondContact O-N 3.31Å; S88-E93 VanDerWaalsContact O-N 3.15Å; D91-E93 VanDerWaalsContact C-N 3.3Å; D91-E93 HydrophobicContact CB-CG 3.87Å; D91-E93 PolarHBondContact O-N 3.3Å; E93-K139 IonicContact OE2-NZ 3.36Å; E93-K139 PolarHBondContact OE2-NZ 3.34Å; E93-A171 CarbonylContact C-O 3.42Å; E93-A171 VanDerWaalsContact CA-O 3.27Å; E93-A171 WeakPolarHBondContact CA-O 3.26Å; E93-A171 WeakPolarHBondContact CB-O 3.37Å
94	Y	96.1	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.7	173.8	70.9	-78.4	0	0	0	110.3	F84 I96 H170 A171 C173 C187 P188	F84-Y94 AromaticContact CE1-CD2 3.81Å; F84-Y94 HydrophobicContact CE1-CD2 3.81Å; F84-Y94 HydrophobicContact CE1-CG 4.43Å; F84-Y94 HydrophobicContact CE2-CD2 4.07Å; F84-Y94 HydrophobicContact CE2-CE2 4.06Å; F84-Y94 AromaticContact CZ-CD2 3.35Å; F84-Y94 HydrophobicContact CZ-CD2 3.35Å; F84-Y94 AromaticContact CZ-CE2 3.74Å; F84-Y94 HydrophobicContact CZ-CE2 3.74Å; F84-Y94 HydrophobicContact CZ-CG 4.15Å; Y94-I96 HydrophobicContact CD2-CB 4.35Å; Y94-I96 HydrophobicContact CE2-CB 4.09Å; Y94-I96 HydrophobicContact CE2-CG2 4.11Å; Y94-H170 WeakPolarHBondContact O-CA 3.47Å; Y94-A171 HydrophobicContact CD1-CB 4.26Å; Y94-A171 WeakPolarHBondContact CD1-O 3.31Å; Y94-A171 HydrophobicContact CE1-CB 3.6Å; Y94-A171 HydrophobicContact CE2-CB 4.42Å; Y94-A171 PolarHBondContact N-O 2.91Å; Y94-A171 PolarHBondContact O-N 3.43Å; Y94-C173 HydrophobicContact CD1-CB 3.73Å; Y94-C173 HydrophobicContact CE1-CB 4.07Å; Y94-C187 HydrophobicContact CD1-CB 3.99Å; Y94-C187 HydrophobicContact CE1-CB 3.73Å; Y94-P188 PolarHBondContact OH-O 2.94Å
95	T	95.9	Very high	95.1	Very high	23 Å²	23	37.1 Å²	37.1	14%	0.141	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136	177.5	-50.9	0	0	0	0	110	G85 P86 T168 I169 H170	G85-T95 WeakPolarHBondContact CA-O 3.1Å; G85-T95 PolarHBondContact N-O 2.88Å; P86-T95 PolarHBondContact O-N 3.07Å; P86-T95 VanDerWaalsContact O-N 3.15Å; T95-T168 HydrophobicContact CG2-CG2 3.6Å; T95-I169 WeakPolarHBondContact CA-O 3.09Å; T95-H170 PolarHBondContact OG1-CE1 3.04Å; T95-H170 PolarHBondContact OG1-ND1 2.85Å; T95-H170 VanDerWaalsContact OG1-ND1 3.13Å
96	I	96.3	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.2	176.8	-166.8	175.5	0	0	0	110.9	V81 F84 Y94 V98 T168 I169 F251	V81-I96 HydrophobicContact CB-CD1 4.47Å; V81-I96 HydrophobicContact CG1-CD1 3.8Å; V81-I96 HydrophobicContact CG1-CG1 3.7Å; V81-I96 HydrophobicContact CG2-CD1 3.83Å; F84-I96 HydrophobicContact CD2-CD1 4.05Å; F84-I96 HydrophobicContact CD2-CG1 4.22Å; F84-I96 HydrophobicContact CE2-CD1 4.1Å; Y94-I96 HydrophobicContact CD2-CB 4.35Å; Y94-I96 HydrophobicContact CE2-CB 4.09Å; Y94-I96 HydrophobicContact CE2-CG2 4.11Å; I96-V98 HydrophobicContact CD1-CG1 3.92Å; I96-V98 HydrophobicContact CG1-CG1 3.78Å; I96-V98 HydrophobicContact CG2-CG1 4.38Å; I96-T168 WeakPolarHBondContact O-CA 3.34Å; I96-I169 HydrophobicContact CG2-CB 3.91Å; I96-I169 PolarHBondContact N-O 2.85Å; I96-I169 PolarHBondContact O-N 2.88Å; I96-F251 HydrophobicContact CD1-CD2 4.49Å; I96-F251 HydrophobicContact CD1-CE1 4.28Å; I96-F251 HydrophobicContact CD1-CE2 3.74Å; I96-F251 HydrophobicContact CD1-CZ 3.61Å
97	D	95.9	Very high	95.2	Very high	17 Å²	17	38 Å²	38	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.5	174.1	-61.9	-41.3	0	0	0	109.5	T82 S83 L167 T168	T82-D97 PolarHBondContact N-O 2.8Å; T82-D97 VanDerWaalsContact OG1-CB 3.26Å; T82-D97 WeakPolarHBondContact OG1-CB 3.35Å; T82-D97 PolarHBondContact OG1-O 3.22Å; T82-D97 VanDerWaalsContact OG1-O 3.13Å; S83-D97 PolarHBondContact N-O 3.49Å; S83-D97 PolarHBondContact O-N 3.46Å; S83-D97 WeakPolarHBondContact OG-CB 3.4Å; S83-D97 PolarHBondContact OG-OD2 3.29Å; D97-L167 WeakPolarHBondContact CA-O 3.29Å; D97-T168 VanDerWaalsContact OD1-CB 3.3Å; D97-T168 WeakPolarHBondContact OD1-CB 3.33Å; D97-T168 VanDerWaalsContact OD1-CG2 3.3Å; D97-T168 WeakPolarHBondContact OD1-CG2 3.4Å; D97-T168 PolarHBondContact OD1-OG1 3.13Å
98	V	96.4	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.6	-174.1	-56.2	0	0	0	0	112.2	I79 Y80 V81 I96 F100 R166 L167 I169	I79-V98 HydrophobicContact CG2-CB 3.91Å; I79-V98 HydrophobicContact CG2-CG1 3.83Å; Y80-V98 CarbonylContact O-C 3.48Å; Y80-V98 WeakPolarHBondContact O-CA 3.24Å; V81-V98 HydrophobicContact CG2-CG1 4.11Å; I96-V98 HydrophobicContact CD1-CG1 3.92Å; I96-V98 HydrophobicContact CG1-CG1 3.78Å; I96-V98 HydrophobicContact CG2-CG1 4.38Å; V98-F100 HydrophobicContact CG2-CB 4.38Å; V98-R166 WeakPolarHBondContact O-CA 3.49Å; V98-L167 HydrophobicContact CG2-CB 4.06Å; V98-L167 PolarHBondContact N-O 3.03Å; V98-L167 PolarHBondContact O-N 3.29Å; V98-I169 HydrophobicContact CG2-CD1 3.79Å
99	F	96.3	Very high	95.2	Very high	71 Å²	71	40.5 Å²	40.5	31%	0.311	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.4	151.3	-68.6	-65.2	0	0	0	108.2	Y80 T82 T164 M165 R166	Y80-F99 AromaticContact CD1-CD2 3.88Å; Y80-F99 HydrophobicContact CD1-CD2 3.88Å; Y80-F99 PolarHBondContact N-O 3.07Å; Y80-F99 PolarHBondContact O-N 3.12Å; T82-F99 HydrophobicContact CG2-CD2 3.31Å; T82-F99 HydrophobicContact CG2-CE2 3.24Å; T82-F99 HydrophobicContact CG2-CG 4.28Å; T82-F99 HydrophobicContact CG2-CZ 4.17Å; F99-T164 HydrophobicContact CB-CG2 4.28Å; F99-T164 HydrophobicContact CD1-CG2 4.35Å; F99-M165 CarbonylContact C-O 3.53Å; F99-M165 WeakPolarHBondContact CA-O 3.43Å; F99-R166 HydrophobicContact CD1-CB 3.86Å; F99-R166 HydrophobicContact CD1-CG 4.13Å; F99-R166 HydrophobicContact CE1-CB 3.73Å; F99-R166 HydrophobicContact CE1-CG 3.84Å; F99-R166 HydrophobicContact CZ-CG 4.49Å
100	F	96.9	Very high	95.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.8	175.7	-168.8	-107.9	0	0	0	108.8	T77 I79 V98 Q102 T133 F135 T164 M165 L167 F191	T77-F100 HydrophobicContact CG2-CZ 4.18Å; I79-F100 HydrophobicContact CD1-CD2 4.13Å; I79-F100 HydrophobicContact CD1-CE2 4.05Å; I79-F100 HydrophobicContact CG1-CD2 3.87Å; I79-F100 HydrophobicContact CG1-CE2 4.04Å; V98-F100 HydrophobicContact CG2-CB 4.38Å; F100-Q102 HydrophobicContact CD1-CG 3.83Å; F100-Q102 VanDerWaalsContact CE1-CD 3.4Å; F100-Q102 HydrophobicContact CE1-CG 3.49Å; F100-Q102 VanDerWaalsContact CE1-CG 3.49Å; F100-Q102 HydrophobicContact CZ-CG 4.3Å; F100-T133 HydrophobicContact CE1-CG2 3.88Å; F100-T133 HydrophobicContact CZ-CG2 3.79Å; F100-F135 HydrophobicContact CD2-CZ 4.16Å; F100-F135 HydrophobicContact CE2-CZ 4.29Å; F100-T164 WeakPolarHBondContact O-CA 3.39Å; F100-M165 HydrophobicContact CB-CG 3.91Å; F100-M165 HydrophobicContact CD1-CG 4.39Å; F100-M165 HydrophobicContact CD1-SD 4.42Å; F100-M165 PolarHBondContact N-O 3.15Å; F100-M165 PolarHBondContact O-N 3.36Å; F100-L167 HydrophobicContact CB-CD1 4.11Å; F100-F191 HydrophobicContact CE2-CD1 4.35Å; F100-F191 HydrophobicContact CE2-CD2 4.07Å; F100-F191 HydrophobicContact CE2-CE1 4.25Å; F100-F191 AromaticContact CE2-CE2 3.95Å; F100-F191 HydrophobicContact CE2-CE2 3.95Å; F100-F191 HydrophobicContact CE2-CG 4.27Å; F100-F191 HydrophobicContact CE2-CZ 4.03Å; F100-F191 AromaticContact CZ-CD2 3.78Å; F100-F191 HydrophobicContact CZ-CD2 3.78Å; F100-F191 AromaticContact CZ-CE2 3.79Å; F100-F191 HydrophobicContact CZ-CE2 3.79Å; F100-F191 HydrophobicContact CZ-CG 4.31Å; F100-F191 HydrophobicContact CZ-CZ 4.33Å
101	R	96.3	Very high	95.4	Very high	84 Å²	84	40.9 Å²	40.9	32%	0.317	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.9	-176.4	-48.9	-169.4	-177.9	135.3	-6.5	109.9	T77 N78 L162 Y163 T164	T77-R101 WeakPolarHBondContact CA-O 3.43Å; N78-R101 HydrophobicContact CB-CB 4.2Å; N78-R101 PolarHBondContact N-O 2.76Å; N78-R101 WeakPolarHBondContact O-CB 3.31Å; N78-R101 PolarHBondContact O-N 2.74Å; N78-R101 WeakPolarHBondContact OD1-CD 3.47Å; N78-R101 PolarHBondContact OD1-NH1 2.83Å; R101-L162 HydrophobicContact CB-CD1 4.38Å; R101-Y163 WeakPolarHBondContact CA-O 3.42Å; R101-T164 HydrophobicContact CG-CG2 3.86Å; R101-T164 WeakPolarHBondContact CG-OG1 3.3Å
102	Q	96.9	Very high	95.4	Very high	2 Å²	2	44 Å²	44	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.3	179.5	-53.1	-171.8	-86.9	0	0	109.1	V75 R76 T77 F100 W104 T133 L162 Y163	V75-Q102 HydrophobicContact CG1-CB 4.15Å; R76-Q102 CarbonylContact O-C 3.58Å; R76-Q102 WeakPolarHBondContact O-CA 3.48Å; T77-Q102 HydrophobicContact CG2-CG 4.25Å; F100-Q102 HydrophobicContact CD1-CG 3.83Å; F100-Q102 VanDerWaalsContact CE1-CD 3.4Å; F100-Q102 HydrophobicContact CE1-CG 3.49Å; F100-Q102 VanDerWaalsContact CE1-CG 3.49Å; F100-Q102 HydrophobicContact CZ-CG 4.3Å; Q102-W104 HydrophobicContact CB-CE3 4.31Å; Q102-W104 HydrophobicContact CB-CZ3 4.05Å; Q102-T133 PolarHBondContact NE2-OG1 2.93Å; Q102-L162 WeakPolarHBondContact O-CA 3.41Å; Q102-Y163 PolarHBondContact N-O 2.76Å; Q102-Y163 PolarHBondContact O-N 2.99Å
103	S	96.8	Very high	95.1	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.6	175.8	-173.9	0	0	0	0	110.6	R76 T160 L161	R76-S103 PolarHBondContact N-O 3.3Å; R76-S103 PolarHBondContact O-N 3.34Å; S103-T160 WeakPolarHBondContact OG-CG2 3.31Å; S103-L161 WeakPolarHBondContact CA-O 3.48Å; S103-L161 VanDerWaalsContact CB-O 3.31Å; S103-L161 WeakPolarHBondContact CB-O 3.17Å; S103-L161 PolarHBondContact OG-O 2.99Å
104	W	96.9	Very high	94.6	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165	176.9	66.9	96	0	0	0	108.8	E74 V75 Q102 W129 T130 P131 L161 Y163	E74-W104 WeakPolarHBondContact O-CB 3.45Å; V75-W104 HydrophobicContact CG2-CB 4.28Å; Q102-W104 HydrophobicContact CB-CE3 4.31Å; Q102-W104 HydrophobicContact CB-CZ3 4.05Å; W104-W129 AromaticContact CD1-CZ3 3.98Å; W104-W129 HydrophobicContact CD2-CZ3 4.43Å; W104-W129 HydrophobicContact CG-CZ3 4.33Å; W104-W129 WeakPolarHBondContact CZ2-O 3.43Å; W104-W129 AromaticContact NE1-CE3 3.8Å; W104-W129 AromaticContact NE1-CZ3 3.86Å; W104-T130 HydrophobicContact CH2-CG2 4.11Å; W104-T130 HydrophobicContact CZ2-CG2 4.31Å; W104-P131 HydrophobicContact CE3-CG 4.22Å; W104-P131 HydrophobicContact CZ3-CG 4.09Å; W104-L161 HydrophobicContact CD2-CB 4.35Å; W104-L161 HydrophobicContact CH2-CB 4.47Å; W104-L161 HydrophobicContact CZ2-CB 4.12Å; W104-L161 HydrophobicContact CZ2-CD1 4.02Å; W104-L161 PolarHBondContact N-O 2.84Å; W104-L161 PolarHBondContact O-N 2.74Å; W104-Y163 HydrophobicContact CH2-CD1 4.28Å; W104-Y163 HydrophobicContact CH2-CG 4.2Å; W104-Y163 HydrophobicContact CZ3-CD1 4.37Å; W104-Y163 HydrophobicContact CZ3-CG 4.4Å
105	R	96.1	Very high	94.2	Very high	131 Å²	131	50.3 Å²	50.3	49%	0.494	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.6	176.8	-167.6	177.3	-171.2	-179.3	-0.5	110	N158	R105-N158 PolarHBondContact NE-O 3.13Å
106	D	96.1	Very high	93.9	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.272	C	S	.	.			trans	-120.1	111.2	168.8	-167.9	-21	0	0	0	108.6	Y60 P66 R108 L109 G159 L161	Y60-D106 WeakPolarHBondContact CE2-OD2 3.42Å; Y60-D106 PolarHBondContact OH-OD2 2.77Å; P66-D106 HydrophobicContact CB-CB 4.08Å; P66-D106 HydrophobicContact CG-CB 4.38Å; D106-R108 PolarHBondContact O-N 3.07Å; D106-R108 WeakPolarHBondContact OD1-CB 2.78Å; D106-R108 IonicContact OD1-CZ 2.65Å; D106-R108 PolarHBondContact OD1-N 2.7Å; D106-R108 VanDerWaalsContact OD1-N 3.12Å; D106-R108 IonicContact OD1-NE 3.35Å; D106-R108 PolarHBondContact OD1-NE 3.42Å; D106-R108 IonicContact OD1-NH2 3.53Å; D106-R108 IonicContact OD2-CZ 3.69Å; D106-R108 IonicContact OD2-NE 3.14Å; D106-R108 PolarHBondContact OD2-NE 2.85Å; D106-R108 IonicContact OD2-NH2 3.67Å; D106-R108 PolarHBondContact OD2-NH2 3.44Å; D106-L109 HydrophobicContact CB-CB 4.47Å; D106-L109 HydrophobicContact CB-CD1 4.15Å; D106-L109 HydrophobicContact CB-CG 4.41Å; D106-L109 PolarHBondContact O-N 3.05Å; D106-G159 PolarHBondContact N-O 2.98Å; D106-G159 WeakPolarHBondContact O-CA 3.33Å; D106-L161 HydrophobicContact CB-CD1 3.75Å
107	E	93.8	Very high	93.8	Very high	112 Å²	112	59.2 Å²	59.2	52%	0.523	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66.9	-24.9	-176.1	-54.5	-143.7	122.8	0	0	113.2	L109 K110	E107-L109 PolarHBondContact O-N 3.14Å; E107-K110 HydrophobicContact CB-CD 4.49Å; E107-K110 WeakPolarHBondContact O-CG 3.35Å; E107-K110 PolarHBondContact O-N 3Å; E107-K110 IonicContact OE1-NZ 2.77Å; E107-K110 PolarHBondContact OE1-NZ 2.86Å; E107-K110 IonicContact OE2-NZ 3.62Å
108	R	94.4	Very high	93.6	Very high	93 Å²	93	58.9 Å²	58.9	35%	0.351	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.8	178.4	-57.6	171.4	-68.2	-179.3	0.2	112.3	Y60 D61 L64 D106	Y60-R108 HydrophobicContact CD2-CB 4.05Å; Y60-R108 HydrophobicContact CE2-CB 4.01Å; Y60-R108 PolarHBondContact OH-NH2 3.25Å; Y60-R108 VanDerWaalsContact OH-NH2 3.14Å; D61-R108 PolarHBondContact O-NH1 3.45Å; L64-R108 PolarHBondContact O-NH1 3.09Å; L64-R108 PolarHBondContact O-NH2 3.28Å; D106-R108 PolarHBondContact O-N 3.07Å; D106-R108 WeakPolarHBondContact OD1-CB 2.78Å; D106-R108 IonicContact OD1-CZ 2.65Å; D106-R108 PolarHBondContact OD1-N 2.7Å; D106-R108 VanDerWaalsContact OD1-N 3.12Å; D106-R108 IonicContact OD1-NE 3.35Å; D106-R108 PolarHBondContact OD1-NE 3.42Å; D106-R108 IonicContact OD1-NH2 3.53Å; D106-R108 IonicContact OD2-CZ 3.69Å; D106-R108 IonicContact OD2-NE 3.14Å; D106-R108 PolarHBondContact OD2-NE 2.85Å; D106-R108 IonicContact OD2-NH2 3.67Å; D106-R108 PolarHBondContact OD2-NH2 3.44Å
109	L	94.3	Very high	93.3	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-101.3	15.7	-178.1	-63.8	173.1	0	0	0	113	L56 Y60 D106 E107 I128 L155 L161	L56-L109 HydrophobicContact CB-CD2 4.42Å; L56-L109 HydrophobicContact CD2-CD2 4.49Å; Y60-L109 HydrophobicContact CD2-CD2 3.93Å; Y60-L109 HydrophobicContact CD2-CG 4.28Å; Y60-L109 HydrophobicContact CE2-CD1 3.98Å; Y60-L109 HydrophobicContact CE2-CD2 3.88Å; Y60-L109 HydrophobicContact CE2-CG 3.77Å; D106-L109 HydrophobicContact CB-CB 4.47Å; D106-L109 HydrophobicContact CB-CD1 4.15Å; D106-L109 HydrophobicContact CB-CG 4.41Å; D106-L109 PolarHBondContact O-N 3.05Å; E107-L109 PolarHBondContact O-N 3.14Å; L109-I128 HydrophobicContact CD1-CB 4.3Å; L109-I128 HydrophobicContact CD1-CG2 3.89Å; L109-I128 HydrophobicContact CD2-CG2 4.38Å; L109-L155 HydrophobicContact CB-CD1 3.94Å; L109-L155 HydrophobicContact CB-CD2 4.39Å; L109-L161 HydrophobicContact CD1-CD1 3.85Å; L109-L161 HydrophobicContact CD1-CD2 4.16Å
110	K	94.4	Very high	92.9	Very high	84 Å²	84	61.1 Å²	61.1	37%	0.365	31%	0.309	S	S	.	.			trans	-67	135.4	170.3	-73.9	170.8	-175.6	165.6	0	109.7	L56 E107 D157 N158	L56-K110 WeakPolarHBondContact CD2-O 3.26Å; E107-K110 HydrophobicContact CB-CD 4.49Å; E107-K110 WeakPolarHBondContact O-CG 3.35Å; E107-K110 PolarHBondContact O-N 3Å; E107-K110 IonicContact OE1-NZ 2.77Å; E107-K110 PolarHBondContact OE1-NZ 2.86Å; E107-K110 IonicContact OE2-NZ 3.62Å; K110-D157 WeakPolarHBondContact CA-O 3.34Å; K110-N158 WeakPolarHBondContact CE-O 3.39Å; K110-N158 WeakPolarHBondContact CG-O 3.32Å
111	F	92.6	Very high	92.4	Very high	21 Å²	21	65.9 Å²	65.9	9%	0.092	34%	0.335	C	S	.	.			trans	-139	153.6	175.8	69.8	-81.1	0	0	0	110.5	I52 L56 M115 L118 L155 D157	I52-F111 HydrophobicContact CG2-CB 3.89Å; I52-F111 HydrophobicContact CG2-CD2 4Å; I52-F111 HydrophobicContact CG2-CG 4.13Å; L56-F111 HydrophobicContact CD1-CB 4.06Å; L56-F111 HydrophobicContact CD1-CD1 4.26Å; L56-F111 HydrophobicContact CD1-CG 4.31Å; L56-F111 HydrophobicContact CD2-CB 4Å; L56-F111 HydrophobicContact CG-CB 4.25Å; F111-M115 VanDerWaalsContact CE2-O 3.32Å; F111-M115 WeakPolarHBondContact CE2-O 3.38Å; F111-L118 HydrophobicContact CD1-CD1 4.21Å; F111-L118 HydrophobicContact CD2-CD1 4.08Å; F111-L118 HydrophobicContact CE1-CD1 3.77Å; F111-L118 HydrophobicContact CE1-CG 4.14Å; F111-L118 HydrophobicContact CE2-CD1 3.62Å; F111-L118 HydrophobicContact CE2-CG 3.89Å; F111-L118 HydrophobicContact CG-CD1 4.37Å; F111-L118 HydrophobicContact CZ-CB 4.49Å; F111-L118 HydrophobicContact CZ-CD1 3.47Å; F111-L118 VanDerWaalsContact CZ-CD1 3.47Å; F111-L118 HydrophobicContact CZ-CG 3.52Å; F111-L155 HydrophobicContact CD1-CD2 3.82Å; F111-L155 HydrophobicContact CD1-CG 4.16Å; F111-L155 HydrophobicContact CE1-CD2 3.91Å; F111-L155 HydrophobicContact CE1-CG 3.84Å; F111-D157 HydrophobicContact CE1-CB 4.39Å; F111-D157 HydrophobicContact CZ-CB 4.21Å; F111-D157 PolarHBondContact N-O 3.03Å
112	D	91.4	Very high	91.7	Very high	156 Å²	156	62.8 Å²	62.8	83%	0.834	33%	0.325	S	S	*	.			trans	-111.3	127.4	170	-174.6	22	0	0	0	108.4
113	G	86.9	Confident	91.1	Very high	29 Å²	29	68.4 Å²	68.4	30%	0.299	35%	0.354	S	S	.	.	S	Bend	trans	-170.8	169.6	-172.2	0	0	0	0	0	112.8	M115	G113-M115 PolarHBondContact O-N 2.93Å
114	P	86.9	Confident	90.4	Very high	99 Å²	99	68.5 Å²	68.5	64%	0.643	35%	0.353	S	S	*	.	S	Bend	trans	-70.6	-13.8	-174.7	28.5	-35.5	0	0	0	113.9	F49	F49-P114 HydrophobicContact CE1-CG 4.13Å; F49-P114 HydrophobicContact CZ-CG 3.79Å
115	M	87.3	Confident	89.9	Confident	99 Å²	99	68.7 Å²	68.7	49%	0.488	36%	0.355	S	S	.	.			trans	-114.9	132.3	176.1	-74	-176	175.1	0	0	110.7	F49 F111 G113 L118	F49-M115 HydrophobicContact CE1-CB 4.2Å; F49-M115 HydrophobicContact CE1-CG 4.13Å; F49-M115 HydrophobicContact CE1-SD 4.06Å; F49-M115 HydrophobicContact CZ-CB 4.41Å; F49-M115 HydrophobicContact CZ-CE 4.21Å; F49-M115 HydrophobicContact CZ-CG 3.86Å; F49-M115 HydrophobicContact CZ-SD 3.74Å; F111-M115 VanDerWaalsContact CE2-O 3.32Å; F111-M115 WeakPolarHBondContact CE2-O 3.38Å; G113-M115 PolarHBondContact O-N 2.93Å; M115-L118 HydrophobicContact CB-CD2 4.29Å
116	Q	89.7	Confident	89.5	Confident	145 Å²	145	66.6 Å²	66.6	68%	0.678	36%	0.36	S	S	*	.	S	Bend	trans	-71.8	-29.1	176.1	-68.6	177.6	-8.7	0	0	113.2	V156 D157	Q116-V156 CarbonylContact O-C 3.58Å; Q116-V156 WeakPolarHBondContact O-CA 3.33Å; Q116-D157 PolarHBondContact O-N 3.02Å
117	V	92.9	Very high	89.3	Confident	64 Å²	64	72.4 Å²	72.4	39%	0.388	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.4	-177.5	-175.1	0	0	0	0	109.9	P119 R154 L155 V156	V117-P119 WeakPolarHBondContact O-CD 3.41Å; V117-R154 HydrophobicContact CG1-CB 4.08Å; V117-L155 CarbonylContact C-O 3.51Å; V117-L155 WeakPolarHBondContact CA-O 3.35Å; V117-V156 HydrophobicContact CG2-CG2 4.3Å
118	L	91.4	Very high	89.3	Confident	10 Å²	10	67.5 Å²	67.5	5%	0.052	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111	174.6	-64.6	175.1	0	0	0	109.7	F49 F111 M115 L120 R154 L155	F49-L118 HydrophobicContact CD1-CD2 3.77Å; F49-L118 HydrophobicContact CE1-CD2 3.74Å; F111-L118 HydrophobicContact CD1-CD1 4.21Å; F111-L118 HydrophobicContact CD2-CD1 4.08Å; F111-L118 HydrophobicContact CE1-CD1 3.77Å; F111-L118 HydrophobicContact CE1-CG 4.14Å; F111-L118 HydrophobicContact CE2-CD1 3.62Å; F111-L118 HydrophobicContact CE2-CG 3.89Å; F111-L118 HydrophobicContact CG-CD1 4.37Å; F111-L118 HydrophobicContact CZ-CB 4.49Å; F111-L118 HydrophobicContact CZ-CD1 3.47Å; F111-L118 VanDerWaalsContact CZ-CD1 3.47Å; F111-L118 HydrophobicContact CZ-CG 3.52Å; M115-L118 HydrophobicContact CB-CD2 4.29Å; L118-L120 HydrophobicContact CB-CD1 4.28Å; L118-L120 HydrophobicContact CB-CD2 4.09Å; L118-L120 HydrophobicContact CB-CG 4.12Å; L118-L120 PolarHBondContact O-N 2.8Å; L118-R154 WeakPolarHBondContact O-CA 3.24Å; L118-L155 PolarHBondContact N-O 3.3Å; L118-L155 PolarHBondContact O-N 3.31Å
119	P	91.1	Very high	89.4	Confident	93 Å²	93	63.5 Å²	63.5	60%	0.604	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	114	168.1	30.8	-30.8	0	0	0	109.3	V117	V117-P119 WeakPolarHBondContact O-CD 3.41Å
120	L	87.5	Confident	89.4	Confident	25 Å²	25	65.7 Å²	65.7	13%	0.131	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.8	-171	-59.8	165.4	0	0	0	110.6	L53 L118 L124 L153 L155	L53-L120 HydrophobicContact CD1-CD2 4.29Å; L53-L120 HydrophobicContact CD2-CD1 4.38Å; L53-L120 HydrophobicContact CD2-CD2 3.65Å; L118-L120 HydrophobicContact CB-CD1 4.28Å; L118-L120 HydrophobicContact CB-CD2 4.09Å; L118-L120 HydrophobicContact CB-CG 4.12Å; L118-L120 PolarHBondContact O-N 2.8Å; L120-L124 HydrophobicContact CB-CD2 3.84Å; L120-L124 HydrophobicContact CD1-CD2 3.35Å; L120-L124 HydrophobicContact CD2-CD2 3.96Å; L120-L124 HydrophobicContact CG-CD2 3.86Å; L120-L153 HydrophobicContact CB-CB 4.37Å; L120-L153 HydrophobicContact CB-CD2 4.29Å; L120-L153 HydrophobicContact CD1-CD2 4.39Å; L120-L153 PolarHBondContact N-O 3.38Å; L120-L155 HydrophobicContact CD1-CB 3.82Å; L120-L155 HydrophobicContact CD1-CD2 4.35Å
121	N	86	Confident	89.5	Confident	102 Å²	102	62.1 Å²	62.1	55%	0.545	35%	0.347	S	S	.	.			trans	-71.5	158.1	178.4	-164.9	5.2	0	0	0	111.3	L123 L124	N121-L123 PolarHBondContact O-N 2.82Å; N121-L123 VanDerWaalsContact O-N 3.15Å; N121-L124 PolarHBondContact O-N 3.46Å; N121-L124 VanDerWaalsContact O-N 3.11Å
122	N	82.9	Confident	89.6	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.102	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-26.5	179.6	60.1	20.9	0	0	0	114.2	L124 A125 P149 K151	N122-L124 PolarHBondContact O-N 3.19Å; N122-A125 WeakPolarHBondContact O-CB 3.36Å; N122-A125 PolarHBondContact O-N 2.78Å; N122-A125 VanDerWaalsContact O-N 3.12Å; N122-P149 HydrophobicContact CB-CB 4.44Å; N122-P149 WeakPolarHBondContact ND2-CB 3.49Å; N122-P149 VanDerWaalsContact ND2-CD 3.32Å; N122-P149 WeakPolarHBondContact ND2-CD 3.34Å; N122-P149 PolarHBondContact ND2-O 2.93Å; N122-K151 HydrophobicContact CB-CB 3.96Å
123	L	83.1	Confident	89.9	Confident	120 Å²	120	57.3 Å²	57.3	63%	0.628	32%	0.323	S	S	*	.	H	α-helix	trans	-62.9	-30.1	177.3	-65.3	176.7	0	0	0	112.7	N121 S126	N121-L123 PolarHBondContact O-N 2.82Å; N121-L123 VanDerWaalsContact O-N 3.15Å; L123-S126 PolarHBondContact O-OG 3.36Å
124	L	83.6	Confident	90.4	Very high	28 Å²	28	59 Å²	59	15%	0.147	32%	0.322	C	S	.	.	H	α-helix	trans	-76.6	-28.9	177	-169.5	67.4	0	0	0	111.5	L53 L57 L120 N121 N122 S126 K127 I128 L153	L53-L124 HydrophobicContact CD2-CD2 4.12Å; L57-L124 HydrophobicContact CD1-CD1 3.63Å; L57-L124 HydrophobicContact CD2-CD1 4.01Å; L57-L124 HydrophobicContact CG-CD1 4.23Å; L120-L124 HydrophobicContact CB-CD2 3.84Å; L120-L124 HydrophobicContact CD1-CD2 3.35Å; L120-L124 HydrophobicContact CD2-CD2 3.96Å; L120-L124 HydrophobicContact CG-CD2 3.86Å; N121-L124 PolarHBondContact O-N 3.46Å; N121-L124 VanDerWaalsContact O-N 3.11Å; N122-L124 PolarHBondContact O-N 3.19Å; L124-S126 PolarHBondContact O-N 2.97Å; L124-K127 HydrophobicContact CD1-CB 4.46Å; L124-K127 HydrophobicContact CD1-CD 4.4Å; L124-K127 PolarHBondContact O-N 3.44Å; L124-I128 PolarHBondContact O-N 2.79Å; L124-L153 HydrophobicContact CD2-CD2 4.46Å
125	A	85.3	Confident	90.9	Very high	7 Å²	7	55.5 Å²	55.5	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-25.2	179.1	0	0	0	0	0	113	N122 L153 Y163	N122-A125 WeakPolarHBondContact O-CB 3.36Å; N122-A125 PolarHBondContact O-N 2.78Å; N122-A125 VanDerWaalsContact O-N 3.12Å; A125-L153 HydrophobicContact CB-CD2 4.33Å; A125-Y163 HydrophobicContact CB-CE2 4.06Å
126	S	87.3	Confident	91.2	Very high	87 Å²	87	54.2 Å²	54.2	61%	0.608	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.6	173.4	51.6	0	0	0	0	114.4	L123 L124	L123-S126 PolarHBondContact O-OG 3.36Å; L124-S126 PolarHBondContact O-N 2.97Å
127	K	91.6	Very high	91.6	Very high	124 Å²	124	48.4 Å²	48.4	54%	0.539	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.1	179.5	-65.4	-170.1	178.4	-175.6	0	113.2	L57 N62 L124	L57-K127 HydrophobicContact CD1-CD 3.93Å; L57-K127 HydrophobicContact CD2-CB 4.37Å; N62-K127 WeakPolarHBondContact CB-O 3.48Å; L124-K127 HydrophobicContact CD1-CB 4.46Å; L124-K127 HydrophobicContact CD1-CD 4.4Å; L124-K127 PolarHBondContact O-N 3.44Å
128	I	94.3	Very high	91.6	Very high	9 Å²	9	46.6 Å²	46.6	5%	0.046	26%	0.258	C	S	.	.	S	Bend	trans	-106.4	160.9	177.8	61.7	165.9	0	0	0	110.9	L57 Y60 L109 L124 T130 L153 L161	L57-I128 HydrophobicContact CD2-CG2 4.3Å; Y60-I128 HydrophobicContact CE1-CB 4.16Å; Y60-I128 HydrophobicContact CE1-CG2 4.34Å; L109-I128 HydrophobicContact CD1-CB 4.3Å; L109-I128 HydrophobicContact CD1-CG2 3.89Å; L109-I128 HydrophobicContact CD2-CG2 4.38Å; L124-I128 PolarHBondContact O-N 2.79Å; I128-T130 HydrophobicContact CG1-CG2 4.4Å; I128-L153 HydrophobicContact CD1-CD1 3.95Å; I128-L153 HydrophobicContact CD1-CD2 3.64Å; I128-L153 HydrophobicContact CD1-CG 4.45Å; I128-L161 HydrophobicContact CD1-CD2 3.71Å
129	W	96	Very high	91.7	Very high	9 Å²	9	51.7 Å²	51.7	3%	0.034	28%	0.28	C	S	.	.			trans	-66.5	136.7	170.8	179.2	92	0	0	0	109.8	Y60 R65 P66 T73 W104 P131 Y196 V201	Y60-W129 PolarHBondContact OH-N 3.45Å; Y60-W129 VanDerWaalsContact OH-N 3.09Å; R65-W129 HydrophobicContact CB-CD2 4.27Å; R65-W129 HydrophobicContact CB-CH2 4.41Å; R65-W129 HydrophobicContact CB-CZ2 3.66Å; P66-W129 VanDerWaalsContact CD-CE3 3.46Å; P66-W129 HydrophobicContact CG-CE3 4.16Å; P66-W129 HydrophobicContact CG-CZ3 4.19Å; T73-W129 HydrophobicContact CG2-CH2 4.06Å; T73-W129 HydrophobicContact CG2-CZ3 4.16Å; W104-W129 AromaticContact CD1-CZ3 3.98Å; W104-W129 HydrophobicContact CD2-CZ3 4.43Å; W104-W129 HydrophobicContact CG-CZ3 4.33Å; W104-W129 WeakPolarHBondContact CZ2-O 3.43Å; W104-W129 AromaticContact NE1-CE3 3.8Å; W104-W129 AromaticContact NE1-CZ3 3.86Å; W129-P131 HydrophobicContact CH2-CB 3.96Å; W129-P131 HydrophobicContact CZ3-CB 4.36Å; W129-Y196 AromaticContact CZ2-CE2 3.94Å; W129-Y196 HydrophobicContact CZ2-CE2 3.94Å; W129-Y196 AromaticContact NE1-CZ 3.86Å; W129-Y196 PolarHBondContact NE1-OH 3.35Å; W129-Y196 VanDerWaalsContact NE1-OH 3.13Å; W129-V201 HydrophobicContact CH2-CG2 4.49Å; W129-V201 HydrophobicContact CZ2-CG2 4.46Å
130	T	95.4	Very high	91.7	Very high	49 Å²	49	53.9 Å²	53.9	30%	0.301	28%	0.28	S	S	.	.			trans	-131.6	144.3	173.2	54.6	0	0	0	0	109.2	W104 I128 Y163	W104-T130 HydrophobicContact CH2-CG2 4.11Å; W104-T130 HydrophobicContact CZ2-CG2 4.31Å; I128-T130 HydrophobicContact CG1-CG2 4.4Å; T130-Y163 HydrophobicContact CG2-CE1 4.42Å
131	P	96.5	Very high	92	Very high	10 Å²	10	55.5 Å²	55.5	7%	0.065	29%	0.293	C	S	.	.			trans	-64.1	143	179.5	26.9	-34.7	0	0	0	111.3	V75 W104 W129 T133	V75-P131 HydrophobicContact CG1-CG 4.18Å; V75-P131 HydrophobicContact CG2-CB 4.16Å; V75-P131 HydrophobicContact CG2-CG 4.43Å; W104-P131 HydrophobicContact CE3-CG 4.22Å; W104-P131 HydrophobicContact CZ3-CG 4.09Å; W129-P131 HydrophobicContact CH2-CB 3.96Å; W129-P131 HydrophobicContact CZ3-CB 4.36Å; P131-T133 PolarHBondContact O-N 3.01Å
132	D	95.6	Very high	92.4	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	29%	0.285	C	S	.	.			trans	-84.9	48.4	-176.8	66.1	-21.4	0	0	0	112.3	F134 S193 Y194 A195 Y196	D132-F134 PolarHBondContact O-N 2.88Å; D132-S193 WeakPolarHBondContact OD1-CB 3.19Å; D132-S193 PolarHBondContact OD1-OG 2.96Å; D132-S193 PolarHBondContact OD2-OG 3.05Å; D132-Y194 PolarHBondContact O-N 3.29Å; D132-Y194 PolarHBondContact OD2-N 3.47Å; D132-A195 WeakPolarHBondContact OD2-CB 3.37Å; D132-A195 PolarHBondContact OD2-N 2.83Å; D132-Y196 WeakPolarHBondContact OD1-CD2 3.04Å
133	T	96.8	Very high	92.9	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129	-174.9	-45.8	0	0	0	0	111.7	F100 Q102 P131 F191 G192 Y203	F100-T133 HydrophobicContact CE1-CG2 3.88Å; F100-T133 HydrophobicContact CZ-CG2 3.79Å; Q102-T133 PolarHBondContact NE2-OG1 2.93Å; P131-T133 PolarHBondContact O-N 3.01Å; T133-F191 HydrophobicContact CG2-CB 4.26Å; T133-F191 HydrophobicContact CG2-CD2 3.82Å; T133-F191 HydrophobicContact CG2-CG 4.46Å; T133-G192 WeakPolarHBondContact CA-O 3.39Å; T133-Y203 HydrophobicContact CG2-CE1 3.89Å; T133-Y203 WeakPolarHBondContact OG1-CE1 3.2Å; T133-Y203 PolarHBondContact OG1-OH 2.95Å
134	F	96.4	Very high	93.3	Very high	65 Å²	65	52.4 Å²	52.4	29%	0.285	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160.9	175.1	83.7	-70	0	0	0	111.2	D132 H136 F191 G192 S193 Y194	D132-F134 PolarHBondContact O-N 2.88Å; F134-H136 AromaticContact CE1-CE1 3.74Å; F134-H136 AromaticContact CE1-NE2 3.8Å; F134-H136 AromaticContact CE2-ND1 3.9Å; F134-H136 AromaticContact CZ-CE1 3.31Å; F134-H136 WeakPolarHBondContact CZ-CE1 3.41Å; F134-H136 AromaticContact CZ-CG 3.9Å; F134-H136 AromaticContact CZ-ND1 3.42Å; F134-H136 WeakPolarHBondContact CZ-ND1 3.47Å; F134-H136 AromaticContact CZ-NE2 3.73Å; F134-F191 WeakPolarHBondContact O-CA 3.49Å; F134-F191 WeakPolarHBondContact O-CB 3.37Å; F134-G192 WeakPolarHBondContact CD1-O 3.35Å; F134-G192 PolarHBondContact N-O 2.92Å; F134-G192 PolarHBondContact O-N 2.98Å; F134-G192 VanDerWaalsContact O-N 3.12Å; F134-S193 WeakPolarHBondContact CE1-O 3.24Å; F134-Y194 AromaticContact CD1-CD2 3.96Å; F134-Y194 HydrophobicContact CD1-CD2 3.96Å; F134-Y194 HydrophobicContact CD1-CG 4.32Å; F134-Y194 HydrophobicContact CD2-CD2 4.33Å; F134-Y194 AromaticContact CE1-CD2 3.88Å; F134-Y194 HydrophobicContact CE1-CD2 3.88Å; F134-Y194 HydrophobicContact CE1-CG 4.41Å; F134-Y194 HydrophobicContact CE2-CD2 4.24Å; F134-Y194 HydrophobicContact CG-CD2 4.18Å; F134-Y194 AromaticContact CZ-CD2 4Å; F134-Y194 HydrophobicContact CZ-CD2 4Å
135	F	97.3	Very high	93.6	Very high	24 Å²	24	56.8 Å²	56.8	11%	0.105	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.4	177	-63.9	-85	0	0	0	109.6	F100 N137 G138 L167 I169 L189 K190 F191	F100-F135 HydrophobicContact CD2-CZ 4.16Å; F100-F135 HydrophobicContact CE2-CZ 4.29Å; F135-N137 PolarHBondContact O-N 3.12Å; F135-G138 PolarHBondContact O-N 2.9Å; F135-L167 HydrophobicContact CE2-CD1 3.68Å; F135-L167 HydrophobicContact CZ-CD1 4.09Å; F135-I169 HydrophobicContact CD1-CD1 4.08Å; F135-I169 HydrophobicContact CD2-CD1 4.01Å; F135-I169 HydrophobicContact CD2-CG1 4.34Å; F135-I169 HydrophobicContact CE1-CD1 3.6Å; F135-I169 HydrophobicContact CE2-CD1 3.52Å; F135-I169 HydrophobicContact CE2-CG1 4.14Å; F135-I169 HydrophobicContact CG-CD1 4.29Å; F135-I169 HydrophobicContact CG-CG2 4.42Å; F135-I169 HydrophobicContact CZ-CD1 3.3Å; F135-I169 HydrophobicContact CZ-CG1 4.38Å; F135-L189 HydrophobicContact CD1-CD1 3.66Å; F135-L189 HydrophobicContact CD1-CG 4.11Å; F135-L189 HydrophobicContact CE1-CD1 4.06Å; F135-L189 HydrophobicContact CE1-CD2 4.27Å; F135-L189 HydrophobicContact CE1-CG 4.19Å; F135-K190 CarbonylContact C-O 3.51Å; F135-K190 VanDerWaalsContact CA-O 3.24Å; F135-K190 WeakPolarHBondContact CA-O 3.35Å; F135-F191 HydrophobicContact CD1-CB 3.72Å; F135-F191 HydrophobicContact CE1-CB 3.84Å; F135-F191 HydrophobicContact CE1-CD1 4.27Å; F135-F191 HydrophobicContact CE1-CG 4.29Å; F135-F191 HydrophobicContact CG-CB 4.41Å
136	H	95.4	Very high	93.4	Very high	73 Å²	73	63.7 Å²	63.7	34%	0.338	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-40.8	-175.7	-71.5	-96.2	0	0	0	112.6	F134 K190 V246	F134-H136 AromaticContact CE1-CE1 3.74Å; F134-H136 AromaticContact CE1-NE2 3.8Å; F134-H136 AromaticContact CE2-ND1 3.9Å; F134-H136 AromaticContact CZ-CE1 3.31Å; F134-H136 WeakPolarHBondContact CZ-CE1 3.41Å; F134-H136 AromaticContact CZ-CG 3.9Å; F134-H136 AromaticContact CZ-ND1 3.42Å; F134-H136 WeakPolarHBondContact CZ-ND1 3.47Å; F134-H136 AromaticContact CZ-NE2 3.73Å; H136-K190 HydrophobicContact CB-CB 4.06Å; H136-K190 PolarHBondContact N-O 3.33Å; H136-V246 WeakPolarHBondContact NE2-CG2 3.29Å
137	N	96.1	Very high	93.2	Very high	22 Å²	22	65.6 Å²	65.6	12%	0.118	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	15.4	178.6	69.7	-47.8	0	0	0	112.8	F135 A171 E172 P188 K190	F135-N137 PolarHBondContact O-N 3.12Å; N137-A171 CarbonylContact O-C 3.58Å; N137-A171 VanDerWaalsContact O-CA 3.31Å; N137-A171 WeakPolarHBondContact O-CA 3.41Å; N137-E172 HydrophobicContact CB-CB 4.47Å; N137-E172 PolarHBondContact ND2-O 2.94Å; N137-E172 PolarHBondContact O-N 3.39Å; N137-P188 PolarHBondContact ND2-O 3.5Å; N137-K190 PolarHBondContact OD1-N 2.9Å
138	G	94.5	Very high	92.7	Very high	27 Å²	27	63.5 Å²	63.5	28%	0.278	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.5	175.2	0	0	0	0	0	111.1	F135 H170	F135-G138 PolarHBondContact O-N 2.9Å; G138-H170 CarbonylContact C-O 3.58Å; G138-H170 WeakPolarHBondContact CA-O 3.37Å
139	K	92.5	Very high	92.3	Very high	117 Å²	117	66 Å²	66	51%	0.509	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-42.5	175.1	-68.1	172.6	74	-168.5	0	111.3	E93 H170 E172	E93-K139 IonicContact OE2-NZ 3.36Å; E93-K139 PolarHBondContact OE2-NZ 3.34Å; K139-H170 PolarHBondContact N-O 3.19Å; K139-E172 HydrophobicContact CD-CB 4.28Å
140	K	92.6	Very high	91.8	Very high	139 Å²	139	68.1 Å²	68.1	60%	0.604	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	133.3	177.9	-176.5	174.2	-179.5	179.8	0	108.9	H170	K140-H170 HydrophobicContact CB-CB 4.31Å; K140-H170 WeakPolarHBondContact O-CA 3.33Å; K140-H170 VanDerWaalsContact O-CB 3.27Å; K140-H170 WeakPolarHBondContact O-CB 3.41Å; K140-H170 PolarHBondContact O-CD2 3.48Å; K140-H170 PolarHBondContact O-N 2.88Å
141	S	93	Very high	91.5	Very high	59 Å²	59	70.1 Å²	70.1	41%	0.413	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.1	176.8	-60.8	0	0	0	0	110.1	T168	S141-T168 CarbonylContact C-O 3.27Å; S141-T168 WeakPolarHBondContact CA-O 3.36Å
142	V	94.3	Very high	91.1	Very high	62 Å²	62	72.9 Å²	72.9	38%	0.376	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.6	179.9	-178.3	0	0	0	0	108.8	L167 T168	V142-L167 WeakPolarHBondContact O-CA 3.42Å; V142-T168 PolarHBondContact N-O 3.36Å; V142-T168 PolarHBondContact O-N 3.42Å
143	A	93.5	Very high	91	Very high	59 Å²	59	70.8 Å²	70.8	49%	0.488	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.2	166.6	0	0	0	0	0	109.1	L167	A143-L167 HydrophobicContact CB-CD2 3.75Å
144	H	90.6	Very high	90.9	Very high	55 Å²	55	75 Å²	75	26%	0.255	40%	0.396	S	S	.	.			trans	-70.8	134	-175.7	-69.4	-82.4	0	0	0	111.8	N150 R166 T168	H144-N150 HydrophobicContact CB-CB 4.45Å; H144-N150 WeakPolarHBondContact CB-ND2 3.46Å; H144-N150 WeakPolarHBondContact O-CB 3.41Å; H144-N150 PolarHBondContact O-N 3.34Å; H144-R166 PolarHBondContact N-O 2.86Å; H144-T168 PolarHBondContact CE1-OG1 2.89Å; H144-T168 PolarHBondContact NE2-OG1 2.85Å
145	N	89.8	Confident	90.8	Very high	119 Å²	119	72 Å²	72	64%	0.636	38%	0.383	S	S	*	.			trans	-124.4	14.1	-174.1	67.3	-12.7	0	0	0	115.6	T147 T148	N145-T147 CarbonylContact O-C 3.23Å; N145-T148 CarbonylContact C-O 3.49Å; N145-T148 VanDerWaalsContact C-O 3.23Å; N145-T148 CarbonylContact O-C 3.58Å; N145-T148 VanDerWaalsContact O-C 3.27Å
146	M	81.4	Confident	90.8	Very high	152 Å²	152	72.9 Å²	72.9	75%	0.749	39%	0.39	S	S	*	.	S	Bend	trans	-107	131	-175.9	-170.3	65.6	149.3	0	0	111.7
147	T	83.2	Confident	90.7	Very high	128 Å²	128	72.3 Å²	72.3	79%	0.785	39%	0.39	S	S	*	.	S	Bend	cis	-79.4	-15.4	-10.2	50.5	0	0	0	0	113.5	N145	N145-T147 CarbonylContact O-C 3.23Å
148	T	82.5	Confident	90.6	Very high	79 Å²	79	74.5 Å²	74.5	49%	0.485	40%	0.402	S	S	.	.	S	Bend	trans	-128.2	161.6	169.5	54.3	0	0	0	0	108.7	N145 N150	N145-T148 CarbonylContact C-O 3.49Å; N145-T148 VanDerWaalsContact C-O 3.23Å; N145-T148 CarbonylContact O-C 3.58Å; N145-T148 VanDerWaalsContact O-C 3.27Å; T148-N150 PolarHBondContact O-N 3.11Å; T148-N150 PolarHBondContact O-OD1 3.15Å
149	P	85.3	Confident	90.6	Very high	62 Å²	62	73.2 Å²	73.2	40%	0.403	39%	0.388	S	S	.	.			trans	-48.9	118.8	172.1	-27.7	32.4	0	0	0	111.3	N122 K151	N122-P149 HydrophobicContact CB-CB 4.44Å; N122-P149 WeakPolarHBondContact ND2-CB 3.49Å; N122-P149 VanDerWaalsContact ND2-CD 3.32Å; N122-P149 WeakPolarHBondContact ND2-CD 3.34Å; N122-P149 PolarHBondContact ND2-O 2.93Å; P149-K151 PolarHBondContact O-N 3.05Å
150	N	84.6	Confident	90.7	Very high	53 Å²	53	69.3 Å²	69.3	28%	0.283	37%	0.374	S	S	.	.			trans	-75.9	63.4	-177.2	-71.4	-38	0	0	0	110.7	H144 T148 M165 R166	H144-N150 HydrophobicContact CB-CB 4.45Å; H144-N150 WeakPolarHBondContact CB-ND2 3.46Å; H144-N150 WeakPolarHBondContact O-CB 3.41Å; H144-N150 PolarHBondContact O-N 3.34Å; T148-N150 PolarHBondContact O-N 3.11Å; T148-N150 PolarHBondContact O-OD1 3.15Å; N150-M165 WeakPolarHBondContact O-CA 3.41Å; N150-R166 HydrophobicContact CB-CB 4.03Å; N150-R166 PolarHBondContact O-N 2.9Å
151	K	88.6	Confident	90.9	Very high	91 Å²	91	62.8 Å²	62.8	40%	0.396	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.5	179.6	-68.6	179.4	175.9	-170	0	107.6	N122 P149 Y163 T164	N122-K151 HydrophobicContact CB-CB 3.96Å; P149-K151 PolarHBondContact O-N 3.05Å; K151-Y163 HydrophobicContact CB-CE2 4.1Å; K151-Y163 HydrophobicContact CD-CE2 4.24Å; K151-Y163 WeakPolarHBondContact CD-OH 3.46Å; K151-Y163 VanDerWaalsContact CE-OH 3.29Å; K151-Y163 WeakPolarHBondContact CE-OH 3.4Å; K151-Y163 HydrophobicContact CG-CE2 4.24Å; K151-Y163 PolarHBondContact NZ-OH 3.41Å; K151-T164 CarbonylContact C-O 3.59Å; K151-T164 WeakPolarHBondContact CA-O 3.47Å
152	L	89	Confident	91	Very high	69 Å²	69	62.6 Å²	62.6	36%	0.361	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.5	174.6	175.2	71.1	0	0	0	108.1	R154 Y163 T164	L152-R154 HydrophobicContact CD1-CG 4.45Å; L152-R154 HydrophobicContact CG-CG 4.35Å; L152-Y163 WeakPolarHBondContact O-CA 3.43Å; L152-T164 PolarHBondContact N-O 2.72Å; L152-T164 PolarHBondContact O-N 2.93Å
153	L	93.5	Very high	91.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.1	171.2	-174.1	67.2	0	0	0	109.1	L120 L124 A125 I128 L161 L162 Y163	L120-L153 HydrophobicContact CB-CB 4.37Å; L120-L153 HydrophobicContact CB-CD2 4.29Å; L120-L153 HydrophobicContact CD1-CD2 4.39Å; L120-L153 PolarHBondContact N-O 3.38Å; L124-L153 HydrophobicContact CD2-CD2 4.46Å; A125-L153 HydrophobicContact CB-CD2 4.33Å; I128-L153 HydrophobicContact CD1-CD1 3.95Å; I128-L153 HydrophobicContact CD1-CD2 3.64Å; I128-L153 HydrophobicContact CD1-CG 4.45Å; L153-L161 HydrophobicContact CD1-CD2 3.82Å; L153-L161 HydrophobicContact CG-CD2 4.39Å; L153-L162 CarbonylContact C-O 3.57Å; L153-L162 WeakPolarHBondContact CA-O 3.11Å; L153-Y163 HydrophobicContact CD1-CD2 4.35Å
154	R	94.6	Very high	91.1	Very high	118 Å²	118	58.1 Å²	58.1	45%	0.445	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.7	169.1	-61.4	-174.9	177.5	-172.7	-1.6	108.9	V117 L118 L152 L161 L162	V117-R154 HydrophobicContact CG1-CB 4.08Å; L118-R154 WeakPolarHBondContact O-CA 3.24Å; L152-R154 HydrophobicContact CD1-CG 4.45Å; L152-R154 HydrophobicContact CG-CG 4.35Å; R154-L161 CarbonylContact O-C 3.55Å; R154-L161 WeakPolarHBondContact O-CA 3.32Å; R154-L162 HydrophobicContact CB-CB 4.29Å; R154-L162 PolarHBondContact N-O 3.45Å; R154-L162 PolarHBondContact O-N 2.72Å
155	L	95	Very high	91.3	Very high	4 Å²	4	57 Å²	57	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126	176.3	178.4	64.5	0	0	0	108.9	L56 L109 F111 V117 L118 L120 L161	L56-L155 HydrophobicContact CD1-CD2 3.84Å; L109-L155 HydrophobicContact CB-CD1 3.94Å; L109-L155 HydrophobicContact CB-CD2 4.39Å; F111-L155 HydrophobicContact CD1-CD2 3.82Å; F111-L155 HydrophobicContact CD1-CG 4.16Å; F111-L155 HydrophobicContact CE1-CD2 3.91Å; F111-L155 HydrophobicContact CE1-CG 3.84Å; V117-L155 CarbonylContact C-O 3.51Å; V117-L155 WeakPolarHBondContact CA-O 3.35Å; L118-L155 PolarHBondContact N-O 3.3Å; L118-L155 PolarHBondContact O-N 3.31Å; L120-L155 HydrophobicContact CD1-CB 3.82Å; L120-L155 HydrophobicContact CD1-CD2 4.35Å; L155-L161 HydrophobicContact CB-CD2 4.41Å; L155-L161 HydrophobicContact CD1-CD2 3.73Å; L155-L161 HydrophobicContact CD1-CG 3.81Å
156	V	96	Very high	91.5	Very high	41 Å²	41	55.8 Å²	55.8	25%	0.248	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.6	172.9	-174.6	0	0	0	0	108.8	Q116 V117 N158 G159 T160	Q116-V156 CarbonylContact O-C 3.58Å; Q116-V156 WeakPolarHBondContact O-CA 3.33Å; V117-V156 HydrophobicContact CG2-CG2 4.3Å; V156-N158 PolarHBondContact O-N 2.91Å; V156-N158 VanDerWaalsContact O-N 3.08Å; V156-G159 PolarHBondContact O-N 2.84Å; V156-T160 WeakPolarHBondContact CB-O 3.46Å; V156-T160 PolarHBondContact N-O 2.76Å
157	D	93.7	Very high	92.2	Very high	62 Å²	62	49.1 Å²	49.1	33%	0.332	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-37.7	179.1	57.2	8.8	0	0	0	114.4	K110 F111 Q116 G159	K110-D157 WeakPolarHBondContact CA-O 3.34Å; F111-D157 HydrophobicContact CE1-CB 4.39Å; F111-D157 HydrophobicContact CZ-CB 4.21Å; F111-D157 PolarHBondContact N-O 3.03Å; Q116-D157 PolarHBondContact O-N 3.02Å; D157-G159 PolarHBondContact O-N 2.88Å; D157-G159 VanDerWaalsContact O-N 3.15Å
158	N	94.1	Very high	92.8	Very high	68 Å²	68	43.9 Å²	43.9	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	2.2	179.8	73.6	6.8	0	0	0	115.4	R105 K110 V156 T160	R105-N158 PolarHBondContact NE-O 3.13Å; K110-N158 WeakPolarHBondContact CE-O 3.39Å; K110-N158 WeakPolarHBondContact CG-O 3.32Å; V156-N158 PolarHBondContact O-N 2.91Å; V156-N158 VanDerWaalsContact O-N 3.08Å; N158-T160 WeakPolarHBondContact OD1-CB 3.49Å; N158-T160 PolarHBondContact OD1-N 2.9Å; N158-T160 PolarHBondContact OD1-OG1 2.67Å
159	G	93.9	Very high	93.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	88.3	7.4	-178.6	0	0	0	0	0	114.5	D106 V156 D157	D106-G159 PolarHBondContact N-O 2.98Å; D106-G159 WeakPolarHBondContact O-CA 3.33Å; V156-G159 PolarHBondContact O-N 2.84Å; D157-G159 PolarHBondContact O-N 2.88Å; D157-G159 VanDerWaalsContact O-N 3.15Å
160	T	96.1	Very high	94.1	Very high	34 Å²	34	39.3 Å²	39.3	21%	0.209	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.1	176.8	-53.6	0	0	0	0	110.2	S103 V156 N158	S103-T160 WeakPolarHBondContact OG-CG2 3.31Å; V156-T160 WeakPolarHBondContact CB-O 3.46Å; V156-T160 PolarHBondContact N-O 2.76Å; N158-T160 WeakPolarHBondContact OD1-CB 3.49Å; N158-T160 PolarHBondContact OD1-N 2.9Å; N158-T160 PolarHBondContact OD1-OG1 2.67Å
161	L	95.7	Very high	94.7	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.9	177	-66.7	133.8	0	0	0	109.6	S103 W104 D106 L109 I128 L153 R154 L155	S103-L161 WeakPolarHBondContact CA-O 3.48Å; S103-L161 VanDerWaalsContact CB-O 3.31Å; S103-L161 WeakPolarHBondContact CB-O 3.17Å; S103-L161 PolarHBondContact OG-O 2.99Å; W104-L161 HydrophobicContact CD2-CB 4.35Å; W104-L161 HydrophobicContact CH2-CB 4.47Å; W104-L161 HydrophobicContact CZ2-CB 4.12Å; W104-L161 HydrophobicContact CZ2-CD1 4.02Å; W104-L161 PolarHBondContact N-O 2.84Å; W104-L161 PolarHBondContact O-N 2.74Å; D106-L161 HydrophobicContact CB-CD1 3.75Å; L109-L161 HydrophobicContact CD1-CD1 3.85Å; L109-L161 HydrophobicContact CD1-CD2 4.16Å; I128-L161 HydrophobicContact CD1-CD2 3.71Å; L153-L161 HydrophobicContact CD1-CD2 3.82Å; L153-L161 HydrophobicContact CG-CD2 4.39Å; R154-L161 CarbonylContact O-C 3.55Å; R154-L161 WeakPolarHBondContact O-CA 3.32Å; L155-L161 HydrophobicContact CB-CD2 4.41Å; L155-L161 HydrophobicContact CD1-CD2 3.73Å; L155-L161 HydrophobicContact CD1-CG 3.81Å
162	L	95.6	Very high	95.1	Very high	56 Å²	56	37 Å²	37	29%	0.293	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.2	163.7	174.9	67.7	0	0	0	107.8	R101 Q102 L153 R154	R101-L162 HydrophobicContact CB-CD1 4.38Å; Q102-L162 WeakPolarHBondContact O-CA 3.41Å; L153-L162 CarbonylContact C-O 3.57Å; L153-L162 WeakPolarHBondContact CA-O 3.11Å; R154-L162 HydrophobicContact CB-CB 4.29Å; R154-L162 PolarHBondContact N-O 3.45Å; R154-L162 PolarHBondContact O-N 2.72Å
163	Y	95.4	Very high	95.4	Very high	11 Å²	11	33.8 Å²	33.8	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.7	176.4	-178.6	-129.8	0	0	0	109	R101 Q102 W104 A125 T130 K151 L152 L153 M165	R101-Y163 WeakPolarHBondContact CA-O 3.42Å; Q102-Y163 PolarHBondContact N-O 2.76Å; Q102-Y163 PolarHBondContact O-N 2.99Å; W104-Y163 HydrophobicContact CH2-CD1 4.28Å; W104-Y163 HydrophobicContact CH2-CG 4.2Å; W104-Y163 HydrophobicContact CZ3-CD1 4.37Å; W104-Y163 HydrophobicContact CZ3-CG 4.4Å; A125-Y163 HydrophobicContact CB-CE2 4.06Å; T130-Y163 HydrophobicContact CG2-CE1 4.42Å; K151-Y163 HydrophobicContact CB-CE2 4.1Å; K151-Y163 HydrophobicContact CD-CE2 4.24Å; K151-Y163 WeakPolarHBondContact CD-OH 3.46Å; K151-Y163 VanDerWaalsContact CE-OH 3.29Å; K151-Y163 WeakPolarHBondContact CE-OH 3.4Å; K151-Y163 HydrophobicContact CG-CE2 4.24Å; K151-Y163 PolarHBondContact NZ-OH 3.41Å; L152-Y163 WeakPolarHBondContact O-CA 3.43Å; L153-Y163 HydrophobicContact CD1-CD2 4.35Å; Y163-M165 HydrophobicContact CD1-CE 3.89Å; Y163-M165 HydrophobicContact CE1-CE 3.15Å
164	T	94.8	Very high	95.4	Very high	15 Å²	15	37.5 Å²	37.5	9%	0.092	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136	179.4	-62.4	0	0	0	0	109.9	F99 F100 R101 K151 L152	F99-T164 HydrophobicContact CB-CG2 4.28Å; F99-T164 HydrophobicContact CD1-CG2 4.35Å; F100-T164 WeakPolarHBondContact O-CA 3.39Å; R101-T164 HydrophobicContact CG-CG2 3.86Å; R101-T164 WeakPolarHBondContact CG-OG1 3.3Å; K151-T164 CarbonylContact C-O 3.59Å; K151-T164 WeakPolarHBondContact CA-O 3.47Å; L152-T164 PolarHBondContact N-O 2.72Å; L152-T164 PolarHBondContact O-N 2.93Å
165	M	93.9	Very high	95.3	Very high	33 Å²	33	32.2 Å²	32.2	16%	0.163	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.7	175.2	59.8	179.6	80.5	0	0	111.1	F99 F100 N150 Y163 L167	F99-M165 CarbonylContact C-O 3.53Å; F99-M165 WeakPolarHBondContact CA-O 3.43Å; F100-M165 HydrophobicContact CB-CG 3.91Å; F100-M165 HydrophobicContact CD1-CG 4.39Å; F100-M165 HydrophobicContact CD1-SD 4.42Å; F100-M165 PolarHBondContact N-O 3.15Å; F100-M165 PolarHBondContact O-N 3.36Å; N150-M165 WeakPolarHBondContact O-CA 3.41Å; Y163-M165 HydrophobicContact CD1-CE 3.89Å; Y163-M165 HydrophobicContact CE1-CE 3.15Å; M165-L167 HydrophobicContact CG-CD1 4.08Å; M165-L167 HydrophobicContact CG-CD2 4.12Å; M165-L167 HydrophobicContact CG-CG 3.89Å; M165-L167 HydrophobicContact SD-CD1 3.71Å; M165-L167 HydrophobicContact SD-CD2 3.77Å; M165-L167 HydrophobicContact SD-CG 3.92Å
166	R	94.9	Very high	95.2	Very high	92 Å²	92	38.2 Å²	38.2	35%	0.347	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.8	170.2	-171.1	-176.9	169.1	-174.5	-3.3	110.1	V98 F99 H144 N150	V98-R166 WeakPolarHBondContact O-CA 3.49Å; F99-R166 HydrophobicContact CD1-CB 3.86Å; F99-R166 HydrophobicContact CD1-CG 4.13Å; F99-R166 HydrophobicContact CE1-CB 3.73Å; F99-R166 HydrophobicContact CE1-CG 3.84Å; F99-R166 HydrophobicContact CZ-CG 4.49Å; H144-R166 PolarHBondContact N-O 2.86Å; N150-R166 HydrophobicContact CB-CB 4.03Å; N150-R166 PolarHBondContact O-N 2.9Å
167	L	95.8	Very high	95	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.7	-177.7	-57.9	178.8	0	0	0	111	D97 V98 F100 F135 V142 A143 M165 I169	D97-L167 WeakPolarHBondContact CA-O 3.29Å; V98-L167 HydrophobicContact CG2-CB 4.06Å; V98-L167 PolarHBondContact N-O 3.03Å; V98-L167 PolarHBondContact O-N 3.29Å; F100-L167 HydrophobicContact CB-CD1 4.11Å; F135-L167 HydrophobicContact CE2-CD1 3.68Å; F135-L167 HydrophobicContact CZ-CD1 4.09Å; V142-L167 WeakPolarHBondContact O-CA 3.42Å; A143-L167 HydrophobicContact CB-CD2 3.75Å; M165-L167 HydrophobicContact CG-CD1 4.08Å; M165-L167 HydrophobicContact CG-CD2 4.12Å; M165-L167 HydrophobicContact CG-CG 3.89Å; M165-L167 HydrophobicContact SD-CD1 3.71Å; M165-L167 HydrophobicContact SD-CD2 3.77Å; M165-L167 HydrophobicContact SD-CG 3.92Å; L167-I169 HydrophobicContact CB-CD1 4.27Å; L167-I169 HydrophobicContact CB-CG1 4.05Å; L167-I169 HydrophobicContact CD1-CD1 4.38Å
168	T	96.4	Very high	94.9	Very high	18 Å²	18	38.1 Å²	38.1	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.9	158.2	-64.1	0	0	0	0	107.7	T95 I96 D97 S141 V142 H144	T95-T168 HydrophobicContact CG2-CG2 3.6Å; I96-T168 WeakPolarHBondContact O-CA 3.34Å; D97-T168 VanDerWaalsContact OD1-CB 3.3Å; D97-T168 WeakPolarHBondContact OD1-CB 3.33Å; D97-T168 VanDerWaalsContact OD1-CG2 3.3Å; D97-T168 WeakPolarHBondContact OD1-CG2 3.4Å; D97-T168 PolarHBondContact OD1-OG1 3.13Å; S141-T168 CarbonylContact C-O 3.27Å; S141-T168 WeakPolarHBondContact CA-O 3.36Å; V142-T168 PolarHBondContact N-O 3.36Å; V142-T168 PolarHBondContact O-N 3.42Å; H144-T168 PolarHBondContact CE1-OG1 2.89Å; H144-T168 PolarHBondContact NE2-OG1 2.85Å
169	I	97.1	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.6	-174.3	-57.4	160.5	0	0	0	108.1	T95 I96 V98 F135 L167 A171 L189	T95-I169 WeakPolarHBondContact CA-O 3.09Å; I96-I169 HydrophobicContact CG2-CB 3.91Å; I96-I169 PolarHBondContact N-O 2.85Å; I96-I169 PolarHBondContact O-N 2.88Å; V98-I169 HydrophobicContact CG2-CD1 3.79Å; F135-I169 HydrophobicContact CD1-CD1 4.08Å; F135-I169 HydrophobicContact CD2-CD1 4.01Å; F135-I169 HydrophobicContact CD2-CG1 4.34Å; F135-I169 HydrophobicContact CE1-CD1 3.6Å; F135-I169 HydrophobicContact CE2-CD1 3.52Å; F135-I169 HydrophobicContact CE2-CG1 4.14Å; F135-I169 HydrophobicContact CG-CD1 4.29Å; F135-I169 HydrophobicContact CG-CG2 4.42Å; F135-I169 HydrophobicContact CZ-CD1 3.3Å; F135-I169 HydrophobicContact CZ-CG1 4.38Å; L167-I169 HydrophobicContact CB-CD1 4.27Å; L167-I169 HydrophobicContact CB-CG1 4.05Å; L167-I169 HydrophobicContact CD1-CD1 4.38Å; I169-A171 HydrophobicContact CG2-CB 4.21Å; I169-L189 HydrophobicContact CG2-CD1 4.21Å
170	H	96.9	Very high	94.9	Very high	44 Å²	44	36.6 Å²	36.6	20%	0.204	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	106.8	165.6	-59.5	-89	0	0	0	107.7	Y94 T95 G138 K139 K140	Y94-H170 WeakPolarHBondContact O-CA 3.47Å; T95-H170 PolarHBondContact OG1-CE1 3.04Å; T95-H170 PolarHBondContact OG1-ND1 2.85Å; T95-H170 VanDerWaalsContact OG1-ND1 3.13Å; G138-H170 CarbonylContact C-O 3.58Å; G138-H170 WeakPolarHBondContact CA-O 3.37Å; K139-H170 PolarHBondContact N-O 3.19Å; K140-H170 HydrophobicContact CB-CB 4.31Å; K140-H170 WeakPolarHBondContact O-CA 3.33Å; K140-H170 VanDerWaalsContact O-CB 3.27Å; K140-H170 WeakPolarHBondContact O-CB 3.41Å; K140-H170 PolarHBondContact O-CD2 3.48Å; K140-H170 PolarHBondContact O-N 2.88Å
171	A	97	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141.2	-175.6	0	0	0	0	0	110.9	E93 Y94 N137 I169 L189	E93-A171 CarbonylContact C-O 3.42Å; E93-A171 VanDerWaalsContact CA-O 3.27Å; E93-A171 WeakPolarHBondContact CA-O 3.26Å; E93-A171 WeakPolarHBondContact CB-O 3.37Å; Y94-A171 HydrophobicContact CD1-CB 4.26Å; Y94-A171 WeakPolarHBondContact CD1-O 3.31Å; Y94-A171 HydrophobicContact CE1-CB 3.6Å; Y94-A171 HydrophobicContact CE2-CB 4.42Å; Y94-A171 PolarHBondContact N-O 2.91Å; Y94-A171 PolarHBondContact O-N 3.43Å; N137-A171 CarbonylContact O-C 3.58Å; N137-A171 VanDerWaalsContact O-CA 3.31Å; N137-A171 WeakPolarHBondContact O-CA 3.41Å; I169-A171 HydrophobicContact CG2-CB 4.21Å; A171-L189 HydrophobicContact CB-CD1 4.2Å
172	E	96.9	Very high	94.6	Very high	96 Å²	96	36.6 Å²	36.6	45%	0.449	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.2	174.5	-172.8	178	172.7	0	0	110.5	N137 K139	N137-E172 HydrophobicContact CB-CB 4.47Å; N137-E172 PolarHBondContact ND2-O 2.94Å; N137-E172 PolarHBondContact O-N 3.39Å; K139-E172 HydrophobicContact CD-CB 4.28Å
173	C	96.2	Very high	94.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	17%	0.167	C	C	.	.			trans	-129.8	101.3	173.5	178.6	0	0	0	0	109.1	M92 Y94 M175 C187	M92-C173 PolarHBondContact O-N 3.24Å; Y94-C173 HydrophobicContact CD1-CB 3.73Å; Y94-C173 HydrophobicContact CE1-CB 4.07Å; C173-M175 HydrophobicContact CB-CE 4.32Å; C173-M175 PolarHBondContact O-N 3.32Å; C173-M175 VanDerWaalsContact O-N 3.08Å; C173-C187 HydrophobicContact CB-CB 3.71Å; C173-C187 WeakPolarHBondContact CB-SG 3.46Å; C173-C187 WeakPolarHBondContact SG-CA 3.49Å; C173-C187 WeakPolarHBondContact SG-CB 3.35Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 2.72Å
174	P	93.2	Very high	94.3	Very high	79 Å²	79	34.7 Å²	34.7	51%	0.513	17%	0.174	S	C	.	.			trans	-68.1	110.3	177.3	27.4	-32.9	0	0	0	109.6
175	M	92.5	Very high	94.3	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.034	17%	0.172	C	C	.	.			trans	-97.1	135	-177.9	-65.8	174	-163.3	0	0	111.3	V87 C173 L177	V87-M175 HydrophobicContact CG1-CE 3.32Å; C173-M175 HydrophobicContact CB-CE 4.32Å; C173-M175 PolarHBondContact O-N 3.32Å; C173-M175 VanDerWaalsContact O-N 3.08Å; M175-L177 HydrophobicContact CB-CD2 4.08Å; M175-L177 HydrophobicContact CB-CG 4.39Å
176	H	92.2	Very high	94.3	Very high	130 Å²	130	34.5 Å²	34.5	60%	0.602	18%	0.177	S	C	*	.			trans	-96.7	115.9	166.8	-61.4	-75.5	0	0	0	108.5	H185	H176-H185 PolarHBondContact O-NE2 2.93Å
177	L	93.1	Very high	94.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.16	C	C	.	.			trans	-103.8	16.8	-171.4	-60.5	178.4	0	0	0	113	M175 D179 F180 D183 P312 V314 Y316 T318	M175-L177 HydrophobicContact CB-CD2 4.08Å; M175-L177 HydrophobicContact CB-CG 4.39Å; L177-D179 VanDerWaalsContact C-N 3.25Å; L177-D179 PolarHBondContact O-N 3.24Å; L177-F180 HydrophobicContact CB-CB 4.18Å; L177-F180 HydrophobicContact CD2-CD2 4.36Å; L177-F180 WeakPolarHBondContact O-CB 3.47Å; L177-F180 PolarHBondContact O-N 3.24Å; L177-F180 VanDerWaalsContact O-N 3.09Å; L177-D183 WeakPolarHBondContact CD2-OD2 3.37Å; L177-P312 HydrophobicContact CD1-CG 3.41Å; L177-P312 VanDerWaalsContact CD1-CG 3.41Å; L177-V314 HydrophobicContact CD1-CG1 4.07Å; L177-Y316 HydrophobicContact CB-CE2 4.1Å; L177-Y316 PolarHBondContact N-OH 2.75Å; L177-T318 WeakPolarHBondContact O-CG2 3.35Å
178	E	92.3	Very high	94.4	Very high	100 Å²	100	30.2 Å²	30.2	47%	0.467	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-41.7	-179.4	-64.7	167.6	-171.7	0	0	111.6	F180 Y316 T318 A319	E178-F180 VanDerWaalsContact C-N 3.35Å; E178-Y316 HydrophobicContact CG-CD2 3.91Å; E178-Y316 HydrophobicContact CG-CE2 3.88Å; E178-Y316 HydrophobicContact CG-CG 4.49Å; E178-T318 CarbonylContact O-C 3.6Å; E178-A319 PolarHBondContact O-N 3.45Å
179	D	92.8	Very high	94.4	Very high	36 Å²	36	29.4 Å²	29.4	19%	0.193	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	10.9	179.9	-72.9	-38.3	0	0	0	113.5	L177 M182 D183 Y466 R469	L177-D179 VanDerWaalsContact C-N 3.25Å; L177-D179 PolarHBondContact O-N 3.24Å; D179-M182 CarbonylContact O-C 3.59Å; D179-M182 WeakPolarHBondContact O-CA 3.45Å; D179-M182 PolarHBondContact O-N 2.75Å; D179-D183 HydrophobicContact CB-CB 4.46Å; D179-D183 PolarHBondContact O-N 3.06Å; D179-Y466 WeakPolarHBondContact OD1-CE1 3.32Å; D179-R469 WeakPolarHBondContact OD1-CD 3.44Å; D179-R469 IonicContact OD1-CZ 2.85Å; D179-R469 IonicContact OD1-NE 2.93Å; D179-R469 IonicContact OD1-NH1 3.45Å; D179-R469 PolarHBondContact OD1-NH1 2.91Å; D179-R469 WeakPolarHBondContact OD2-CD 3.45Å; D179-R469 IonicContact OD2-CZ 2.93Å; D179-R469 IonicContact OD2-NE 3.75Å; D179-R469 PolarHBondContact OD2-NE 3.4Å; D179-R469 IonicContact OD2-NH1 3.55Å
180	F	93.4	Very high	94.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	130.5	-179.4	177.2	-86.6	0	0	0	111.7	L177 E178 F260 L311 T318 A319 M320	L177-F180 HydrophobicContact CB-CB 4.18Å; L177-F180 HydrophobicContact CD2-CD2 4.36Å; L177-F180 WeakPolarHBondContact O-CB 3.47Å; L177-F180 PolarHBondContact O-N 3.24Å; L177-F180 VanDerWaalsContact O-N 3.09Å; E178-F180 VanDerWaalsContact C-N 3.35Å; F180-F260 HydrophobicContact CE1-CD1 4.26Å; F180-F260 HydrophobicContact CE1-CE1 4.05Å; F180-F260 HydrophobicContact CE1-CZ 4.46Å; F180-F260 HydrophobicContact CE2-CE1 4.28Å; F180-F260 HydrophobicContact CE2-CE2 4.43Å; F180-F260 AromaticContact CE2-CZ 3.92Å; F180-F260 HydrophobicContact CE2-CZ 3.92Å; F180-F260 AromaticContact CZ-CD1 3.97Å; F180-F260 HydrophobicContact CZ-CD1 3.97Å; F180-F260 AromaticContact CZ-CE1 3.35Å; F180-F260 HydrophobicContact CZ-CE1 3.35Å; F180-F260 HydrophobicContact CZ-CE2 4.16Å; F180-F260 AromaticContact CZ-CZ 3.44Å; F180-F260 HydrophobicContact CZ-CZ 3.44Å; F180-F260 VanDerWaalsContact CZ-CZ 3.44Å; F180-L311 HydrophobicContact CD1-CD1 3.95Å; F180-L311 HydrophobicContact CD1-CD2 3.93Å; F180-L311 HydrophobicContact CD2-CD2 3.73Å; F180-L311 HydrophobicContact CE1-CD1 3.61Å; F180-L311 HydrophobicContact CE1-CD2 3.52Å; F180-L311 HydrophobicContact CE1-CG 4.01Å; F180-L311 HydrophobicContact CE2-CD2 3.26Å; F180-L311 HydrophobicContact CE2-CG 4.49Å; F180-L311 HydrophobicContact CG-CD2 4.02Å; F180-L311 HydrophobicContact CZ-CD1 4.09Å; F180-L311 HydrophobicContact CZ-CD2 3.14Å; F180-L311 HydrophobicContact CZ-CG 3.95Å; F180-T318 HydrophobicContact CB-CG2 4.21Å; F180-A319 WeakPolarHBondContact O-CB 3.3Å; F180-M320 HydrophobicContact CD1-CB 4.13Å; F180-M320 HydrophobicContact CD1-CE 4.31Å; F180-M320 HydrophobicContact CD1-SD 4.36Å; F180-M320 HydrophobicContact CE1-CB 4.48Å; F180-M320 HydrophobicContact CE1-CE 3.89Å; F180-M320 HydrophobicContact CE1-SD 3.8Å; F180-M320 PolarHBondContact O-N 3.28Å; F180-M320 VanDerWaalsContact O-N 3.11Å
181	P	93.6	Very high	94.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	cis	-102.8	19.9	10	17.4	3.3	0	0	0	114.2	D183 R255 I257 F260 Y265	P181-D183 VanDerWaalsContact C-N 3.3Å; P181-D183 VanDerWaalsContact C-OD1 3.29Å; P181-R255 WeakPolarHBondContact O-CD 3.44Å; P181-I257 HydrophobicContact CB-CD1 3.8Å; P181-I257 HydrophobicContact CG-CD1 3.54Å; P181-F260 HydrophobicContact CB-CB 4.24Å; P181-F260 HydrophobicContact CB-CD1 4.39Å; P181-F260 HydrophobicContact CB-CD2 3.47Å; P181-F260 VanDerWaalsContact CB-CD2 3.47Å; P181-F260 HydrophobicContact CB-CE2 3.91Å; P181-F260 HydrophobicContact CB-CG 3.75Å; P181-F260 HydrophobicContact CG-CB 3.78Å; P181-F260 HydrophobicContact CG-CD1 4.35Å; P181-F260 HydrophobicContact CG-CD2 4Å; P181-F260 HydrophobicContact CG-CG 3.76Å; P181-Y265 VanDerWaalsContact CD-OH 3.31Å; P181-Y265 WeakPolarHBondContact CD-OH 3.43Å; P181-Y265 HydrophobicContact CG-CE2 4.04Å
182	M	92.8	Very high	94.4	Very high	36 Å²	36	29.5 Å²	29.5	18%	0.177	16%	0.157	C	C	.	.	S	Bend	trans	-100.2	26.4	177.9	-69.7	167.6	-81.5	0	0	111.6	D179 I257 Y462 W463 Y466 V467	D179-M182 CarbonylContact O-C 3.59Å; D179-M182 WeakPolarHBondContact O-CA 3.45Å; D179-M182 PolarHBondContact O-N 2.75Å; M182-I257 HydrophobicContact CG-CD1 4.01Å; M182-I257 HydrophobicContact CG-CG1 4.29Å; M182-Y462 HydrophobicContact CE-CE1 4.11Å; M182-W463 HydrophobicContact CE-CZ3 4.42Å; M182-W463 HydrophobicContact SD-CE3 4.36Å; M182-W463 HydrophobicContact SD-CZ3 4.14Å; M182-Y466 HydrophobicContact CE-CG 3.94Å; M182-Y466 VanDerWaalsContact SD-CB 3.57Å; M182-V467 HydrophobicContact SD-CG2 3.89Å
183	D	92.7	Very high	94.4	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.027	14%	0.137	C	C	.	.			trans	-80.3	154.7	-177.5	50.6	-21.1	0	0	0	112.8	L177 D179 P181 H185 R255	L177-D183 WeakPolarHBondContact CD2-OD2 3.37Å; D179-D183 HydrophobicContact CB-CB 4.46Å; D179-D183 PolarHBondContact O-N 3.06Å; P181-D183 VanDerWaalsContact C-N 3.3Å; P181-D183 VanDerWaalsContact C-OD1 3.29Å; D183-H185 VanDerWaalsContact CG-CE1 3.5Å; D183-H185 IonicContact OD2-CE1 2.69Å; D183-H185 PolarHBondContact OD2-CE1 3.05Å; D183-H185 IonicContact OD2-NE2 4Å; D183-H185 PolarHBondContact OD2-NE2 3.49Å; D183-R255 PolarHBondContact O-N 3.23Å; D183-R255 WeakPolarHBondContact OD1-CB 3.34Å; D183-R255 WeakPolarHBondContact OD1-CD 3.16Å; D183-R255 IonicContact OD1-CZ 3.59Å; D183-R255 IonicContact OD1-NE 2.78Å; D183-R255 PolarHBondContact OD1-NE 3.07Å; D183-R255 IonicContact OD1-NH2 2.72Å; D183-R255 IonicContact OD2-CZ 2.77Å; D183-R255 IonicContact OD2-NE 3.45Å; D183-R255 PolarHBondContact OD2-NE 3.48Å; D183-R255 IonicContact OD2-NH2 3.67Å; D183-R255 PolarHBondContact OD2-NH2 3.07Å; D183-R255 VanDerWaalsContact OD2-NH2 3.14Å
184	A	92.7	Very high	94.3	Very high	23 Å²	23	33.1 Å²	33.1	19%	0.19	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.2	167.6	0	0	0	0	0	109.1	L253 K254 P471 I473	A184-L253 CarbonylContact C-O 3.57Å; A184-L253 VanDerWaalsContact CA-O 3.25Å; A184-L253 WeakPolarHBondContact CA-O 3.14Å; A184-K254 HydrophobicContact CB-CB 4.42Å; A184-P471 HydrophobicContact CB-CB 3.61Å; A184-P471 HydrophobicContact CB-CG 4.05Å; A184-I473 HydrophobicContact CB-CD1 4.48Å; A184-I473 VanDerWaalsContact O-CD1 3.29Å; A184-I473 WeakPolarHBondContact O-CD1 3.13Å
185	H	93.5	Very high	94.4	Very high	11 Å²	11	32.1 Å²	32.1	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.1	-174.2	-48.6	108.4	0	0	0	110.9	H176 D183 Y225 H252 L253	H176-H185 PolarHBondContact O-NE2 2.93Å; D183-H185 VanDerWaalsContact CG-CE1 3.5Å; D183-H185 IonicContact OD2-CE1 2.69Å; D183-H185 PolarHBondContact OD2-CE1 3.05Å; D183-H185 IonicContact OD2-NE2 4Å; D183-H185 PolarHBondContact OD2-NE2 3.49Å; H185-Y225 AromaticContact ND1-CE1 3.88Å; H185-H252 WeakPolarHBondContact O-CA 3.43Å; H185-L253 PolarHBondContact N-O 2.87Å; H185-L253 PolarHBondContact O-N 2.82Å
186	A	94.6	Very high	94.6	Very high	32 Å²	32	34.1 Å²	34.1	26%	0.264	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	96.6	170.5	0	0	0	0	0	107.6	P188 Y250 F251 I473	A186-P188 WeakPolarHBondContact O-CD 3.42Å; A186-Y250 HydrophobicContact CB-CD1 4.07Å; A186-F251 CarbonylContact C-O 3.56Å; A186-F251 WeakPolarHBondContact CA-O 3.41Å; A186-I473 HydrophobicContact CB-CD1 3.99Å; A186-I473 HydrophobicContact CB-CG1 4.39Å; A186-I473 HydrophobicContact CB-CG2 4.22Å
187	C	96.1	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.7	-178	-70.4	0	0	0	0	110.5	Y94 C173 Y250 F251 L253	Y94-C187 HydrophobicContact CD1-CB 3.99Å; Y94-C187 HydrophobicContact CE1-CB 3.73Å; C173-C187 HydrophobicContact CB-CB 3.71Å; C173-C187 WeakPolarHBondContact CB-SG 3.46Å; C173-C187 WeakPolarHBondContact SG-CA 3.49Å; C173-C187 WeakPolarHBondContact SG-CB 3.35Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 2.72Å; C187-Y250 WeakPolarHBondContact O-CA 3.44Å; C187-F251 PolarHBondContact N-O 2.83Å; C187-F251 PolarHBondContact O-N 3.48Å; C187-L253 HydrophobicContact CB-CD1 4.43Å
188	P	96.3	Very high	94.8	Very high	16 Å²	16	30.7 Å²	30.7	10%	0.104	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	146.8	-177.9	32.5	-33.7	0	0	0	111.4	Y94 N137 A186 K190 T249 Y250	Y94-P188 PolarHBondContact OH-O 2.94Å; N137-P188 PolarHBondContact ND2-O 3.5Å; A186-P188 WeakPolarHBondContact O-CD 3.42Å; P188-K190 HydrophobicContact CB-CG 4.29Å; P188-T249 CarbonylContact C-O 3.55Å; P188-T249 WeakPolarHBondContact CA-O 3.36Å; P188-Y250 HydrophobicContact CB-CD1 4.01Å; P188-Y250 HydrophobicContact CB-CE1 3.78Å
189	L	96.9	Very high	94.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.4	161.2	-176.3	65.1	0	0	0	107.2	I79 F135 I169 A171 T248 T249 F251	I79-L189 HydrophobicContact CD1-CD2 4.37Å; F135-L189 HydrophobicContact CD1-CD1 3.66Å; F135-L189 HydrophobicContact CD1-CG 4.11Å; F135-L189 HydrophobicContact CE1-CD1 4.06Å; F135-L189 HydrophobicContact CE1-CD2 4.27Å; F135-L189 HydrophobicContact CE1-CG 4.19Å; I169-L189 HydrophobicContact CG2-CD1 4.21Å; A171-L189 HydrophobicContact CB-CD1 4.2Å; L189-T248 WeakPolarHBondContact O-CA 3.48Å; L189-T249 PolarHBondContact N-O 3.35Å; L189-T249 PolarHBondContact O-N 2.65Å; L189-F251 HydrophobicContact CB-CE2 4.05Å; L189-F251 HydrophobicContact CD2-CE2 4.28Å
190	K	96.4	Very high	95	Very high	47 Å²	47	33.6 Å²	33.6	20%	0.204	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	-175.4	-61.5	-165.2	177.7	-155.2	0	110.4	F135 H136 N137 P188 E235 V246 M247 T248	F135-K190 CarbonylContact C-O 3.51Å; F135-K190 VanDerWaalsContact CA-O 3.24Å; F135-K190 WeakPolarHBondContact CA-O 3.35Å; H136-K190 HydrophobicContact CB-CB 4.06Å; H136-K190 PolarHBondContact N-O 3.33Å; N137-K190 PolarHBondContact OD1-N 2.9Å; P188-K190 HydrophobicContact CB-CG 4.29Å; K190-E235 IonicContact NZ-OE1 3.23Å; K190-E235 PolarHBondContact NZ-OE1 3.46Å; K190-E235 IonicContact NZ-OE2 3.78Å; K190-E235 PolarHBondContact NZ-OE2 3.25Å; K190-V246 HydrophobicContact CB-CG1 3.9Å; K190-V246 HydrophobicContact CD-CG1 4.48Å; K190-V246 HydrophobicContact CG-CG1 4.5Å; K190-M247 WeakPolarHBondContact CA-O 3.39Å; K190-T248 HydrophobicContact CG-CG2 3.98Å
191	F	97.1	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.3	175.6	67	-88.1	0	0	0	112.4	T77 I79 F100 T133 F134 F135 Y203 W205 M247	T77-F191 HydrophobicContact CG2-CE2 3.97Å; I79-F191 HydrophobicContact CD1-CD1 4.32Å; I79-F191 HydrophobicContact CD1-CE1 3.66Å; I79-F191 HydrophobicContact CD1-CZ 4.27Å; F100-F191 HydrophobicContact CE2-CD1 4.35Å; F100-F191 HydrophobicContact CE2-CD2 4.07Å; F100-F191 HydrophobicContact CE2-CE1 4.25Å; F100-F191 AromaticContact CE2-CE2 3.95Å; F100-F191 HydrophobicContact CE2-CE2 3.95Å; F100-F191 HydrophobicContact CE2-CG 4.27Å; F100-F191 HydrophobicContact CE2-CZ 4.03Å; F100-F191 AromaticContact CZ-CD2 3.78Å; F100-F191 HydrophobicContact CZ-CD2 3.78Å; F100-F191 AromaticContact CZ-CE2 3.79Å; F100-F191 HydrophobicContact CZ-CE2 3.79Å; F100-F191 HydrophobicContact CZ-CG 4.31Å; F100-F191 HydrophobicContact CZ-CZ 4.33Å; T133-F191 HydrophobicContact CG2-CB 4.26Å; T133-F191 HydrophobicContact CG2-CD2 3.82Å; T133-F191 HydrophobicContact CG2-CG 4.46Å; F134-F191 WeakPolarHBondContact O-CA 3.49Å; F134-F191 WeakPolarHBondContact O-CB 3.37Å; F135-F191 HydrophobicContact CD1-CB 3.72Å; F135-F191 HydrophobicContact CE1-CB 3.84Å; F135-F191 HydrophobicContact CE1-CD1 4.27Å; F135-F191 HydrophobicContact CE1-CG 4.29Å; F135-F191 HydrophobicContact CG-CB 4.41Å; F191-Y203 HydrophobicContact CD2-CD1 4.48Å; F191-Y203 HydrophobicContact CE2-CD1 4.16Å; F191-W205 AromaticContact CE1-CH2 3.71Å; F191-W205 HydrophobicContact CE1-CH2 3.71Å; F191-W205 HydrophobicContact CE1-CZ2 4.37Å; F191-W205 HydrophobicContact CE1-CZ3 4.33Å; F191-W205 AromaticContact CZ-CH2 3.75Å; F191-W205 HydrophobicContact CZ-CH2 3.75Å; F191-W205 HydrophobicContact CZ-CZ2 4.39Å; F191-W205 HydrophobicContact CZ-CZ3 4Å; F191-M247 HydrophobicContact CD1-CB 4.06Å; F191-M247 HydrophobicContact CD2-CB 4Å; F191-M247 HydrophobicContact CD2-CG 4.27Å; F191-M247 HydrophobicContact CE1-CB 3.55Å; F191-M247 HydrophobicContact CE2-CB 3.5Å; F191-M247 VanDerWaalsContact CE2-CB 3.5Å; F191-M247 HydrophobicContact CE2-CG 3.63Å; F191-M247 HydrophobicContact CG-CB 4.26Å; F191-M247 HydrophobicContact CZ-CB 3.27Å; F191-M247 HydrophobicContact CZ-CG 3.8Å; F191-M247 PolarHBondContact N-O 3.39Å; F191-M247 PolarHBondContact O-N 3.13Å
192	G	96.5	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-178.2	-178.1	0	0	0	0	0	111.8	T133 F134	T133-G192 WeakPolarHBondContact CA-O 3.39Å; F134-G192 WeakPolarHBondContact CD1-O 3.35Å; F134-G192 PolarHBondContact N-O 2.92Å; F134-G192 PolarHBondContact O-N 2.98Å; F134-G192 VanDerWaalsContact O-N 3.12Å
193	S	96.9	Very high	95.4	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	143.8	168.3	176.6	0	0	0	0	109.9	D132 F134 Y196 Y203	D132-S193 WeakPolarHBondContact OD1-CB 3.19Å; D132-S193 PolarHBondContact OD1-OG 2.96Å; D132-S193 PolarHBondContact OD2-OG 3.05Å; F134-S193 WeakPolarHBondContact CE1-O 3.24Å; S193-Y196 WeakPolarHBondContact CB-O 3.43Å; S193-Y196 WeakPolarHBondContact OG-CB 3.42Å; S193-Y196 PolarHBondContact OG-N 3.39Å; S193-Y196 PolarHBondContact OG-O 3.41Å; S193-Y203 VanDerWaalsContact N-CE2 3.31Å
194	Y	95.1	Very high	95.4	Very high	168 Å²	168	35.9 Å²	35.9	66%	0.659	19%	0.19	S	C	*	.	S	Bend	trans	-81.7	-49.8	177	-175.4	-99.7	0	0	0	112.5	D132 F134	D132-Y194 PolarHBondContact O-N 3.29Å; D132-Y194 PolarHBondContact OD2-N 3.47Å; F134-Y194 AromaticContact CD1-CD2 3.96Å; F134-Y194 HydrophobicContact CD1-CD2 3.96Å; F134-Y194 HydrophobicContact CD1-CG 4.32Å; F134-Y194 HydrophobicContact CD2-CD2 4.33Å; F134-Y194 AromaticContact CE1-CD2 3.88Å; F134-Y194 HydrophobicContact CE1-CD2 3.88Å; F134-Y194 HydrophobicContact CE1-CG 4.41Å; F134-Y194 HydrophobicContact CE2-CD2 4.24Å; F134-Y194 HydrophobicContact CG-CD2 4.18Å; F134-Y194 AromaticContact CZ-CD2 4Å; F134-Y194 HydrophobicContact CZ-CD2 4Å
195	A	95.2	Very high	95.5	Very high	57 Å²	57	35.8 Å²	35.8	47%	0.471	19%	0.185	S	C	.	.	S	Bend	trans	-102.6	-37.2	-173.5	0	0	0	0	0	113.1	D132 Y244	D132-A195 WeakPolarHBondContact OD2-CB 3.37Å; D132-A195 PolarHBondContact OD2-N 2.83Å; A195-Y244 PolarHBondContact O-OH 2.81Å
196	Y	95.6	Very high	95.3	Very high	49 Å²	49	38 Å²	38	19%	0.192	20%	0.199	C	C	.	.			trans	-82.8	127.3	-171.9	-58.5	-74.8	0	0	0	112.2	R65 W129 D132 S193 E200 V201 Y244	R65-Y196 HydrophobicContact CB-CE1 4.36Å; R65-Y196 HydrophobicContact CG-CE1 4.45Å; W129-Y196 AromaticContact CZ2-CE2 3.94Å; W129-Y196 HydrophobicContact CZ2-CE2 3.94Å; W129-Y196 AromaticContact NE1-CZ 3.86Å; W129-Y196 PolarHBondContact NE1-OH 3.35Å; W129-Y196 VanDerWaalsContact NE1-OH 3.13Å; D132-Y196 WeakPolarHBondContact OD1-CD2 3.04Å; S193-Y196 WeakPolarHBondContact CB-O 3.43Å; S193-Y196 WeakPolarHBondContact OG-CB 3.42Å; S193-Y196 PolarHBondContact OG-N 3.39Å; S193-Y196 PolarHBondContact OG-O 3.41Å; Y196-E200 WeakPolarHBondContact CA-OE2 2.74Å; Y196-E200 HydrophobicContact CD1-CB 4.12Å; Y196-V201 VanDerWaalsContact CB-CG2 3.46Å; Y196-V201 HydrophobicContact CD1-CG2 4.18Å; Y196-V201 HydrophobicContact CD2-CG2 3.8Å; Y196-V201 HydrophobicContact CG-CB 4.35Å; Y196-V201 HydrophobicContact CG-CG2 3.55Å; Y196-Y244 WeakPolarHBondContact O-CD1 3.05Å; Y196-Y244 VanDerWaalsContact O-CE1 3.22Å; Y196-Y244 WeakPolarHBondContact O-CE1 3.32Å
197	T	95.9	Very high	94.7	Very high	28 Å²	28	42.2 Å²	42.2	17%	0.172	21%	0.213	C	C	.	.			trans	-77.4	172.6	178.3	62.5	0	0	0	0	112	N199 E200 V201 Y244	T197-N199 PolarHBondContact O-N 3.32Å; T197-E200 PolarHBondContact N-OE2 3Å; T197-E200 PolarHBondContact O-N 3.33Å; T197-E200 PolarHBondContact OG1-OE2 3.13Å; T197-V201 PolarHBondContact O-N 2.85Å; T197-Y244 HydrophobicContact CG2-CE1 4.24Å; T197-Y244 HydrophobicContact CG2-CE2 4.44Å
198	N	94.8	Very high	93.7	Very high	32 Å²	32	44 Å²	44	17%	0.171	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.8	176.1	-74.4	-14.3	0	0	0	114.5	E200 I202 T236 E243 Y244 V245	N198-E200 VanDerWaalsContact C-N 3.27Å; N198-I202 VanDerWaalsContact O-CG2 3.31Å; N198-I202 WeakPolarHBondContact O-CG2 3.24Å; N198-T236 WeakPolarHBondContact ND2-CG2 3.33Å; N198-E243 VanDerWaalsContact CG-O 3.3Å; N198-E243 PolarHBondContact N-O 2.85Å; N198-E243 PolarHBondContact OD1-O 2.59Å; N198-Y244 WeakPolarHBondContact OD1-CA 3.07Å; N198-V245 WeakPolarHBondContact OD1-CB 3.48Å; N198-V245 PolarHBondContact OD1-N 3.34Å
199	N	93.8	Very high	92.5	Very high	134 Å²	134	48.4 Å²	48.4	72%	0.717	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.5	178	-64.5	-21.6	0	0	0	112.9	T197	T197-N199 PolarHBondContact O-N 3.32Å
200	E	94.8	Very high	91.2	Very high	62 Å²	62	56.2 Å²	56.2	29%	0.29	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-49	-173.9	-65.1	175.1	124.6	0	0	111.8	R65 T73 Y196 T197 N198	R65-E200 PolarHBondContact NH1-O 3.23Å; T73-E200 PolarHBondContact N-O 3.5Å; Y196-E200 WeakPolarHBondContact CA-OE2 2.74Å; Y196-E200 HydrophobicContact CD1-CB 4.12Å; T197-E200 PolarHBondContact N-OE2 3Å; T197-E200 PolarHBondContact O-N 3.33Å; T197-E200 PolarHBondContact OG1-OE2 3.13Å; N198-E200 VanDerWaalsContact C-N 3.27Å
201	V	96.1	Very high	90.6	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.1	-180	178.1	0	0	0	0	109.7	T73 V75 W129 Y196 T197 Y203	T73-V201 WeakPolarHBondContact O-CA 3.42Å; V75-V201 HydrophobicContact CG2-CG1 3.84Å; W129-V201 HydrophobicContact CH2-CG2 4.49Å; W129-V201 HydrophobicContact CZ2-CG2 4.46Å; Y196-V201 VanDerWaalsContact CB-CG2 3.46Å; Y196-V201 HydrophobicContact CD1-CG2 4.18Å; Y196-V201 HydrophobicContact CD2-CG2 3.8Å; Y196-V201 HydrophobicContact CG-CB 4.35Å; Y196-V201 HydrophobicContact CG-CG2 3.55Å; T197-V201 PolarHBondContact O-N 2.85Å; V201-Y203 HydrophobicContact CG1-CD2 4.43Å; V201-Y203 HydrophobicContact CG1-CE2 3.93Å
202	I	95.6	Very high	90.3	Very high	37 Å²	37	62.8 Å²	62.8	19%	0.19	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.4	172.5	60.7	172.2	0	0	0	111.6	V72 T73 E74 V75 N198 V245	V72-I202 HydrophobicContact CG1-CB 4.28Å; V72-I202 HydrophobicContact CG1-CD1 4.39Å; V72-I202 HydrophobicContact CG1-CG1 3.87Å; V72-I202 HydrophobicContact CG1-CG2 3.83Å; T73-I202 PolarHBondContact O-N 2.73Å; E74-I202 HydrophobicContact CB-CG1 4.43Å; E74-I202 HydrophobicContact CG-CD1 3.99Å; E74-I202 HydrophobicContact CG-CG1 3.95Å; V75-I202 PolarHBondContact N-O 2.92Å; N198-I202 VanDerWaalsContact O-CG2 3.31Å; N198-I202 WeakPolarHBondContact O-CG2 3.24Å; I202-V245 HydrophobicContact CB-CG1 4.46Å
203	Y	95.9	Very high	90.1	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.6	175.1	-69.7	-100.6	0	0	0	110.9	V75 T77 T133 F191 S193 V201 V245 M247	V75-Y203 HydrophobicContact CB-CD1 4.17Å; V75-Y203 HydrophobicContact CB-CE1 4.19Å; V75-Y203 HydrophobicContact CG1-CD1 4.13Å; V75-Y203 HydrophobicContact CG1-CE1 3.94Å; V75-Y203 WeakPolarHBondContact O-CA 3.38Å; T77-Y203 HydrophobicContact CG2-CD1 3.64Å; T77-Y203 HydrophobicContact CG2-CE1 4.14Å; T133-Y203 HydrophobicContact CG2-CE1 3.89Å; T133-Y203 WeakPolarHBondContact OG1-CE1 3.2Å; T133-Y203 PolarHBondContact OG1-OH 2.95Å; F191-Y203 HydrophobicContact CD2-CD1 4.48Å; F191-Y203 HydrophobicContact CE2-CD1 4.16Å; S193-Y203 VanDerWaalsContact N-CE2 3.31Å; V201-Y203 HydrophobicContact CG1-CD2 4.43Å; V201-Y203 HydrophobicContact CG1-CE2 3.93Å; Y203-V245 HydrophobicContact CD2-CG1 4.02Å; Y203-M247 VanDerWaalsContact CB-CG 3.46Å; Y203-M247 HydrophobicContact CG-CG 4.26Å
204	L	94.4	Very high	89.9	Confident	52 Å²	52	64.7 Å²	64.7	27%	0.272	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.2	-180	-62.5	173.3	0	0	0	110	E74 V75 R76 T77	E74-L204 HydrophobicContact CB-CD1 4.41Å; E74-L204 HydrophobicContact CG-CD1 4.46Å; V75-L204 PolarHBondContact O-N 2.84Å; R76-L204 CarbonylContact C-O 3.56Å; R76-L204 VanDerWaalsContact CA-O 3.26Å; R76-L204 WeakPolarHBondContact CA-O 3.19Å; T77-L204 PolarHBondContact N-O 2.97Å; T77-L204 PolarHBondContact OG1-O 3.04Å
205	W	94.1	Very high	89.7	Confident	21 Å²	21	58.7 Å²	58.7	8%	0.08	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.5	174.4	-72.1	123	0	0	0	111.3	I79 F191 Q207 D209 S212 V213 I232 M247	I79-W205 HydrophobicContact CD1-CH2 4.24Å; I79-W205 HydrophobicContact CD1-CZ3 4.35Å; I79-W205 HydrophobicContact CG1-CZ3 4.28Å; F191-W205 AromaticContact CE1-CH2 3.71Å; F191-W205 HydrophobicContact CE1-CH2 3.71Å; F191-W205 HydrophobicContact CE1-CZ2 4.37Å; F191-W205 HydrophobicContact CE1-CZ3 4.33Å; F191-W205 AromaticContact CZ-CH2 3.75Å; F191-W205 HydrophobicContact CZ-CH2 3.75Å; F191-W205 HydrophobicContact CZ-CZ2 4.39Å; F191-W205 HydrophobicContact CZ-CZ3 4Å; W205-Q207 PolarHBondContact O-N 3.12Å; W205-D209 VanDerWaalsContact CD1-OD1 3.29Å; W205-S212 WeakPolarHBondContact CB-OG 3.41Å; W205-S212 VanDerWaalsContact CE3-CB 3.47Å; W205-V213 HydrophobicContact CH2-CG2 3.79Å; W205-V213 HydrophobicContact CZ3-CG2 3.82Å; W205-I232 HydrophobicContact CD2-CD1 3.83Å; W205-I232 HydrophobicContact CE3-CD1 4.46Å; W205-I232 HydrophobicContact CG-CD1 3.91Å; W205-I232 HydrophobicContact CH2-CG2 4.32Å; W205-I232 HydrophobicContact CZ2-CB 3.89Å; W205-I232 HydrophobicContact CZ2-CD1 4.3Å; W205-I232 HydrophobicContact CZ2-CG2 3.99Å; W205-M247 HydrophobicContact CD2-CE 3.64Å; W205-M247 VanDerWaalsContact CE2-CE 3.45Å; W205-M247 HydrophobicContact CE3-CE 4.48Å; W205-M247 HydrophobicContact CG-CE 3.61Å; W205-M247 HydrophobicContact CZ2-CB 4.15Å; W205-M247 HydrophobicContact CZ2-CE 4.15Å
206	T	89.6	Confident	89.6	Confident	57 Å²	57	56.8 Å²	56.8	35%	0.35	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-40	-172.7	-53.6	0	0	0	0	114.4	T77 S212	T77-T206 PolarHBondContact N-OG1 3.04Å; T77-T206 PolarHBondContact O-N 3.4Å; T77-T206 VanDerWaalsContact O-N 3.09Å; T77-T206 PolarHBondContact O-OG1 2.94Å; T206-S212 PolarHBondContact N-OG 2.92Å
207	Q	80.9	Confident	89.1	Confident	120 Å²	120	63.6 Å²	63.6	56%	0.561	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	29.6	-175.2	-60.6	-175.1	31.8	0	0	112	W205 R211 S212	W205-Q207 PolarHBondContact O-N 3.12Å; Q207-R211 HydrophobicContact CB-CB 4.17Å; Q207-S212 WeakPolarHBondContact CA-OG 3.3Å; Q207-S212 PolarHBondContact N-OG 2.8Å
208	G	76.7	Confident	88.6	Confident	37 Å²	37	70 Å²	70	38%	0.381	36%	0.359	S	S	.	.	H	α-helix	trans	74.5	-176.4	-174.1	0	0	0	0	0	113.9	E210 S212	G208-E210 VanDerWaalsContact C-N 3.28Å; G208-E210 PolarHBondContact O-N 2.8Å; G208-S212 PolarHBondContact N-OG 3.48Å; G208-S212 WeakPolarHBondContact O-CB 3.44Å; G208-S212 PolarHBondContact O-OG 2.9Å
209	D	70.2	Confident	88	Confident	109 Å²	109	68.7 Å²	68.7	58%	0.583	35%	0.353	S	S	*	.	H	α-helix	trans	-81.8	11.9	-167.6	-63.2	-12.6	0	0	0	114.7	W205 I232	W205-D209 VanDerWaalsContact CD1-OD1 3.29Å; D209-I232 VanDerWaalsContact C-CG1 3.4Å; D209-I232 VanDerWaalsContact CA-CD1 3.44Å; D209-I232 HydrophobicContact CB-CD1 4.41Å; D209-I232 HydrophobicContact CB-CG1 4.36Å; D209-I232 WeakPolarHBondContact O-CD1 3.46Å; D209-I232 WeakPolarHBondContact O-CG1 3.44Å
210	E	70.6	Confident	87.6	Confident	164 Å²	164	65.3 Å²	65.3	77%	0.766	34%	0.34	S	S	*	.	H	α-helix	trans	-127.3	-30.3	175.6	-67.8	-172.9	165.1	0	0	114.2	G208	G208-E210 VanDerWaalsContact C-N 3.28Å; G208-E210 PolarHBondContact O-N 2.8Å
211	R	83.6	Confident	87.2	Confident	185 Å²	185	70.3 Å²	70.3	70%	0.698	36%	0.357	S	S	*	.	H	α-helix	trans	-108.3	-1.5	-172.5	-56	-174.8	-152.9	171.1	7.2	114.2	Q207 V213	Q207-R211 HydrophobicContact CB-CB 4.17Å; R211-V213 VanDerWaalsContact C-N 3.26Å; R211-V213 PolarHBondContact O-N 2.86Å
212	S	89.8	Confident	86.9	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	-77.7	-13.7	-175.9	-63.9	0	0	0	0	113.7	N78 I79 W205 T206 Q207 G208	N78-S212 WeakPolarHBondContact CA-O 3.3Å; N78-S212 PolarHBondContact ND2-O 2.87Å; I79-S212 PolarHBondContact N-O 2.88Å; W205-S212 WeakPolarHBondContact CB-OG 3.41Å; W205-S212 VanDerWaalsContact CE3-CB 3.47Å; T206-S212 PolarHBondContact N-OG 2.92Å; Q207-S212 WeakPolarHBondContact CA-OG 3.3Å; Q207-S212 PolarHBondContact N-OG 2.8Å; G208-S212 PolarHBondContact N-OG 3.48Å; G208-S212 WeakPolarHBondContact O-CB 3.44Å; G208-S212 PolarHBondContact O-OG 2.9Å
213	V	92.4	Very high	86.6	Confident	4 Å²	4	76 Å²	76	2%	0.024	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.8	167.9	179.8	0	0	0	0	108	I79 V81 W205 R211 H230 I232 T249 F251	I79-V213 HydrophobicContact CB-CG2 4.17Å; I79-V213 WeakPolarHBondContact O-CA 3.41Å; V81-V213 HydrophobicContact CG2-CG1 4.45Å; W205-V213 HydrophobicContact CH2-CG2 3.79Å; W205-V213 HydrophobicContact CZ3-CG2 3.82Å; R211-V213 VanDerWaalsContact C-N 3.26Å; R211-V213 PolarHBondContact O-N 2.86Å; V213-H230 PolarHBondContact O-NE2 2.86Å; V213-H230 VanDerWaalsContact O-NE2 3.13Å; V213-I232 HydrophobicContact CB-CG2 4.1Å; V213-I232 HydrophobicContact CG2-CG2 3.51Å; V213-T249 HydrophobicContact CG1-CG2 4.24Å; V213-T249 HydrophobicContact CG2-CG2 4.25Å; V213-F251 HydrophobicContact CG1-CE1 4.44Å; V213-F251 HydrophobicContact CG1-CZ 4.45Å
214	S	92.1	Very high	86.4	Confident	41 Å²	41	80.3 Å²	80.3	29%	0.287	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.3	178.2	45.9	0	0	0	0	108.9	I79 Y80 V81	I79-S214 PolarHBondContact O-N 3.08Å; Y80-S214 CarbonylContact C-O 3.47Å; Y80-S214 WeakPolarHBondContact CA-O 3.37Å; Y80-S214 VanDerWaalsContact CD2-OG 3.24Å; Y80-S214 WeakPolarHBondContact CD2-OG 3.3Å; V81-S214 PolarHBondContact N-O 2.72Å
215	V	92.5	Very high	86.4	Confident	42 Å²	42	78 Å²	78	26%	0.255	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.8	179.9	-174.4	0	0	0	0	107.9	V81 E217 L227 F251	V81-V215 HydrophobicContact CB-CB 4.36Å; V81-V215 HydrophobicContact CB-CG1 4.22Å; V81-V215 HydrophobicContact CB-CG2 4.1Å; V81-V215 HydrophobicContact CG1-CG1 4.28Å; V81-V215 HydrophobicContact CG2-CG2 4.13Å; V215-E217 PolarHBondContact O-N 2.54Å; V215-L227 HydrophobicContact CG1-CD2 3.87Å; V215-L227 HydrophobicContact CG2-CD2 4.35Å; V215-F251 HydrophobicContact CG2-CE1 4.39Å
216	A	92.2	Very high	86.3	Confident	18 Å²	18	80.3 Å²	80.3	15%	0.149	41%	0.409	C	S	.	.			trans	-60	133.2	174.5	0	0	0	0	0	110.3	Y80 V81 D218 G219	Y80-A216 HydrophobicContact CE1-CB 4.33Å; V81-A216 PolarHBondContact O-N 3.42Å; A216-D218 VanDerWaalsContact C-N 3.3Å; A216-D218 PolarHBondContact O-N 2.84Å; A216-G219 WeakPolarHBondContact O-CA 3.22Å; A216-G219 PolarHBondContact O-N 3.28Å
217	E	85.9	Confident	86.4	Confident	191 Å²	191	79.8 Å²	79.8	89%	0.893	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-43.5	-177.7	-63.9	-178.3	173.6	0	0	111.7	V215 G219	V215-E217 PolarHBondContact O-N 2.54Å; E217-G219 VanDerWaalsContact C-N 3.31Å; E217-G219 PolarHBondContact O-N 2.9Å
218	D	85.6	Confident	86.9	Confident	162 Å²	162	78.3 Å²	78.3	87%	0.866	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	9.2	176.6	-59.9	-32.3	0	0	0	113.4	A216 S220	A216-D218 VanDerWaalsContact C-N 3.3Å; A216-D218 PolarHBondContact O-N 2.84Å; D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact O-N 3.37Å
219	G	80.8	Confident	87.5	Confident	5 Å²	5	77.8 Å²	77.8	5%	0.052	39%	0.394	C	S	.	.			trans	-79.2	-6.5	-172.6	0	0	0	0	0	114.9	T82 S83 F84 A216 E217 R221	T82-G219 WeakPolarHBondContact O-CA 3.31Å; S83-G219 CarbonylContact C-O 3.59Å; S83-G219 WeakPolarHBondContact CA-O 3.42Å; S83-G219 WeakPolarHBondContact CB-O 3.37Å; F84-G219 PolarHBondContact N-O 2.73Å; A216-G219 WeakPolarHBondContact O-CA 3.22Å; A216-G219 PolarHBondContact O-N 3.28Å; E217-G219 VanDerWaalsContact C-N 3.31Å; E217-G219 PolarHBondContact O-N 2.9Å; G219-R221 PolarHBondContact O-N 2.9Å
220	S	85.9	Confident	88.5	Confident	64 Å²	64	75.3 Å²	75.3	45%	0.448	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-79.4	113.7	-176.8	-171.8	0	0	0	0	111.5	D218	D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact O-N 3.37Å
221	R	87.3	Confident	89.5	Confident	167 Å²	167	70.1 Å²	70.1	63%	0.63	36%	0.358	S	S	*	.			trans	-104.2	23.1	170.8	-60	179.3	175.1	177.1	-2.5	111.7	F84 G219	F84-R221 WeakPolarHBondContact O-CB 3.35Å; F84-R221 PolarHBondContact O-N 2.96Å; F84-R221 VanDerWaalsContact O-N 3.08Å; G219-R221 PolarHBondContact O-N 2.9Å
222	L	89.9	Confident	89.9	Confident	11 Å²	11	62.1 Å²	62.1	6%	0.058	33%	0.329	C	S	.	.			trans	-84.1	114.7	-175.6	-70	168	0	0	0	111.4	F84 G85 V87 Y225 L227 L253	F84-L222 HydrophobicContact CB-CD1 4.46Å; F84-L222 HydrophobicContact CD1-CD1 3.72Å; F84-L222 HydrophobicContact CD1-CD2 3.69Å; F84-L222 HydrophobicContact CD1-CG 3.84Å; F84-L222 HydrophobicContact CE1-CD1 4.27Å; F84-L222 HydrophobicContact CE1-CD2 4.05Å; F84-L222 HydrophobicContact CG-CD1 4.24Å; G85-L222 WeakPolarHBondContact O-CD2 3.1Å; V87-L222 HydrophobicContact CG2-CD2 3.68Å; L222-Y225 VanDerWaalsContact CB-O 3.24Å; L222-Y225 WeakPolarHBondContact CB-O 3.3Å; L222-L227 HydrophobicContact CD1-CB 4.03Å; L222-L253 HydrophobicContact CD1-CD2 3.93Å
223	N	88.4	Confident	89.8	Confident	147 Å²	147	63.3 Å²	63.3	79%	0.786	34%	0.341	S	S	*	.	S	Bend	trans	-86.8	-40.6	177.3	-64.8	-28.9	0	0	0	112.5
224	Q	91	Very high	89.8	Confident	90 Å²	90	68.4 Å²	68.4	42%	0.421	36%	0.363	S	S	.	.	S	Bend	trans	-95.7	-16.5	-173.2	-69	179.2	-19.2	0	0	113.8	K256	Q224-K256 PolarHBondContact O-N 3.17Å
225	Y	94.1	Very high	89.7	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.008	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.2	-175.3	-69.4	-93.8	0	0	0	111.1	V87 D89 H185 L222 L253 K254 R255	V87-Y225 HydrophobicContact CB-CD2 3.97Å; V87-Y225 HydrophobicContact CB-CE2 3.84Å; V87-Y225 HydrophobicContact CG1-CD2 4.31Å; V87-Y225 HydrophobicContact CG1-CE2 3.75Å; V87-Y225 HydrophobicContact CG2-CD2 4.17Å; V87-Y225 HydrophobicContact CG2-CE2 4.43Å; D89-Y225 PolarHBondContact OD1-OH 3.4Å; H185-Y225 AromaticContact ND1-CE1 3.88Å; L222-Y225 VanDerWaalsContact CB-O 3.24Å; L222-Y225 WeakPolarHBondContact CB-O 3.3Å; Y225-L253 HydrophobicContact CD1-CB 3.93Å; Y225-L253 HydrophobicContact CG-CB 4.48Å; Y225-K254 CarbonylContact C-O 3.45Å; Y225-K254 VanDerWaalsContact CA-O 3.29Å; Y225-K254 WeakPolarHBondContact CA-O 3.48Å; Y225-R255 HydrophobicContact CD1-CB 4.1Å; Y225-R255 HydrophobicContact CE1-CB 3.95Å; Y225-R255 HydrophobicContact CE1-CG 4.4Å; Y225-R255 PolarHBondContact OH-NH1 3.34Å; Y225-R255 PolarHBondContact OH-NH2 3.31Å
226	D	92.4	Very high	89.8	Confident	70 Å²	70	71.1 Å²	71.1	37%	0.374	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.1	163.7	-70.6	-47.7	0	0	0	109.4	L228 L253 K254 K256	D226-L228 PolarHBondContact O-N 3.31Å; D226-L253 WeakPolarHBondContact O-CA 3.43Å; D226-K254 PolarHBondContact N-O 2.78Å; D226-K254 PolarHBondContact O-N 2.69Å; D226-K256 WeakPolarHBondContact OD1-CE 3.29Å; D226-K256 IonicContact OD1-NZ 2.93Å; D226-K256 PolarHBondContact OD1-NZ 2.82Å; D226-K256 WeakPolarHBondContact OD2-CE 3.25Å
227	L	92.6	Very high	89.8	Confident	46 Å²	46	73.4 Å²	73.4	24%	0.241	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	108.5	170.2	179.2	65.6	0	0	0	108.2	F84 V215 L222 F251 L253	F84-L227 HydrophobicContact CD2-CD2 4.47Å; V215-L227 HydrophobicContact CG1-CD2 3.87Å; V215-L227 HydrophobicContact CG2-CD2 4.35Å; L222-L227 HydrophobicContact CD1-CB 4.03Å; L227-F251 HydrophobicContact CD1-CB 4.12Å; L227-F251 HydrophobicContact CD1-CD1 4.22Å; L227-L253 HydrophobicContact CB-CD2 4.33Å; L227-L253 HydrophobicContact CD1-CD2 3.78Å
228	L	90.6	Very high	90.2	Very high	89 Å²	89	68.7 Å²	68.7	47%	0.466	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-31.1	-178.7	-60.9	-177.3	0	0	0	112.4	D226 H252 K254 M474	D226-L228 PolarHBondContact O-N 3.31Å; L228-H252 HydrophobicContact CB-CB 4.12Å; L228-H252 PolarHBondContact N-O 3.01Å; L228-K254 HydrophobicContact CD1-CB 3.83Å; L228-K254 HydrophobicContact CD1-CD 4.39Å; L228-K254 HydrophobicContact CD2-CB 4.23Å; L228-K254 HydrophobicContact CG-CB 4.03Å; L228-M474 HydrophobicContact CD1-CE 4.13Å
229	G	90.3	Very high	90.5	Very high	26 Å²	26	63.8 Å²	63.8	27%	0.268	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-169.9	-175.3	0	0	0	0	0	111.6	H252	G229-H252 PolarHBondContact O-N 2.87Å
230	H	91.3	Very high	91.2	Very high	57 Å²	57	69.5 Å²	69.5	26%	0.264	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.9	177.6	65.4	-77.7	0	0	0	111	V213 T249 Y250 F251	V213-H230 PolarHBondContact O-NE2 2.86Å; V213-H230 VanDerWaalsContact O-NE2 3.13Å; H230-T249 HydrophobicContact CB-CG2 4.36Å; H230-Y250 CarbonylContact C-O 3.54Å; H230-Y250 WeakPolarHBondContact CA-O 3.5Å; H230-Y250 WeakPolarHBondContact CB-O 3.33Å; H230-F251 HydrophobicContact CB-CD1 3.85Å; H230-F251 HydrophobicContact CB-CE1 4.09Å
231	V	91.4	Very high	91.5	Very high	56 Å²	56	71 Å²	71	34%	0.339	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136	173.7	173.7	0	0	0	0	107.4	T249 Y250 H252	V231-T249 CarbonylContact O-C 3.59Å; V231-T249 WeakPolarHBondContact O-CA 3.43Å; V231-Y250 PolarHBondContact N-O 2.94Å; V231-Y250 PolarHBondContact O-N 2.86Å; V231-H252 VanDerWaalsContact CG2-NE2 3.32Å; V231-H252 WeakPolarHBondContact CG2-NE2 3.46Å
232	I	91.5	Very high	91.8	Very high	17 Å²	17	64.2 Å²	64.2	9%	0.087	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	152.9	174.3	60.3	175.7	0	0	0	111.4	W205 D209 V213 T248 T249	W205-I232 HydrophobicContact CD2-CD1 3.83Å; W205-I232 HydrophobicContact CE3-CD1 4.46Å; W205-I232 HydrophobicContact CG-CD1 3.91Å; W205-I232 HydrophobicContact CH2-CG2 4.32Å; W205-I232 HydrophobicContact CZ2-CB 3.89Å; W205-I232 HydrophobicContact CZ2-CD1 4.3Å; W205-I232 HydrophobicContact CZ2-CG2 3.99Å; D209-I232 VanDerWaalsContact C-CG1 3.4Å; D209-I232 VanDerWaalsContact CA-CD1 3.44Å; D209-I232 HydrophobicContact CB-CD1 4.41Å; D209-I232 HydrophobicContact CB-CG1 4.36Å; D209-I232 WeakPolarHBondContact O-CD1 3.46Å; D209-I232 WeakPolarHBondContact O-CG1 3.44Å; V213-I232 HydrophobicContact CB-CG2 4.1Å; V213-I232 HydrophobicContact CG2-CG2 3.51Å; I232-T248 WeakPolarHBondContact CA-O 3.47Å; I232-T249 HydrophobicContact CG2-CG2 3.85Å; I232-T249 WeakPolarHBondContact CG2-OG1 3.27Å
233	G	88.3	Confident	92.1	Very high	24 Å²	24	69.1 Å²	69.1	25%	0.247	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	175.2	-179.7	0	0	0	0	0	111.1	T248	G233-T248 PolarHBondContact N-O 3.28Å; G233-T248 PolarHBondContact O-N 2.7Å; G233-T248 VanDerWaalsContact O-O 3.14Å
234	K	90.8	Very high	92.5	Very high	112 Å²	112	63.2 Å²	63.2	49%	0.487	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.7	176.5	171.9	173.9	163.3	166.4	0	108	V245 M247	K234-V245 HydrophobicContact CD-CG2 3.93Å; K234-V245 VanDerWaalsContact CE-CG2 3.43Å; K234-V245 HydrophobicContact CG-CG2 3.88Å; K234-M247 HydrophobicContact CB-SD 4.46Å; K234-M247 HydrophobicContact CD-SD 4.41Å; K234-M247 HydrophobicContact CG-SD 4.28Å
235	E	91.7	Very high	92.7	Very high	59 Å²	59	59.2 Å²	59.2	28%	0.276	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152	177.7	-64.7	175.2	-173.9	0	0	108.6	K190 V246 Y250	K190-E235 IonicContact NZ-OE1 3.23Å; K190-E235 PolarHBondContact NZ-OE1 3.46Å; K190-E235 IonicContact NZ-OE2 3.78Å; K190-E235 PolarHBondContact NZ-OE2 3.25Å; E235-V246 PolarHBondContact N-O 2.93Å; E235-V246 PolarHBondContact O-N 2.93Å; E235-Y250 PolarHBondContact OE1-OH 3.3Å
236	T	93.9	Very high	92.8	Very high	81 Å²	81	59.1 Å²	59.1	50%	0.497	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125	168.6	-57.5	0	0	0	0	107.7	N198 E243 Y244	N198-T236 WeakPolarHBondContact ND2-CG2 3.33Å; T236-E243 HydrophobicContact CG2-CB 4.29Å; T236-Y244 WeakPolarHBondContact CA-O 3.4Å
237	I	93.2	Very high	92.9	Very high	66 Å²	66	55.9 Å²	55.9	34%	0.338	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.5	-179.8	-55.8	-173	0	0	0	108.3	Y244 V246	I237-Y244 PolarHBondContact N-O 3.28Å; I237-Y244 PolarHBondContact O-N 3.15Å; I237-V246 HydrophobicContact CB-CG2 4.26Å; I237-V246 HydrophobicContact CD1-CB 4.15Å; I237-V246 HydrophobicContact CD1-CG1 4.4Å; I237-V246 HydrophobicContact CD1-CG2 3.6Å; I237-V246 HydrophobicContact CG1-CB 4.3Å; I237-V246 HydrophobicContact CG1-CG2 3.74Å
238	S	93.7	Very high	93	Very high	92 Å²	92	53.7 Å²	53.7	64%	0.643	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.6	170.5	-171.6	0	0	0	0	109.4
239	S	92.3	Very high	93.2	Very high	59 Å²	59	49.5 Å²	49.5	41%	0.413	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	172.6	172.3	-172.4	0	0	0	0	110	T241 G242	S239-T241 PolarHBondContact O-N 2.04Å; S239-G242 PolarHBondContact N-O 3.47Å; S239-G242 PolarHBondContact O-N 2.97Å
240	S	94.1	Very high	93.4	Very high	125 Å²	125	51.6 Å²	51.6	87%	0.874	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.6	173.8	53.8	0	0	0	0	113.2
241	T	93.2	Very high	93.5	Very high	95 Å²	95	48.9 Å²	48.9	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.2	-180	52.8	0	0	0	0	113.8	S239 Y244	S239-T241 PolarHBondContact O-N 2.04Å; T241-Y244 VanDerWaalsContact OG1-CE2 3.3Å; T241-Y244 WeakPolarHBondContact OG1-CE2 3.31Å; T241-Y244 PolarHBondContact OG1-OH 2.82Å
242	G	94.1	Very high	93.7	Very high	25 Å²	25	47.5 Å²	47.5	26%	0.258	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.7	-171.8	-177	0	0	0	0	0	113	S239 Y244	S239-G242 PolarHBondContact N-O 3.47Å; S239-G242 PolarHBondContact O-N 2.97Å; G242-Y244 WeakPolarHBondContact O-CD2 3.24Å; G242-Y244 WeakPolarHBondContact O-CE2 3.2Å
243	E	96	Very high	93.8	Very high	113 Å²	113	46.7 Å²	46.7	53%	0.528	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.8	176	-64.8	-172.7	165.3	0	0	111.6	N198 T236	N198-E243 VanDerWaalsContact CG-O 3.3Å; N198-E243 PolarHBondContact N-O 2.85Å; N198-E243 PolarHBondContact OD1-O 2.59Å; T236-E243 HydrophobicContact CG2-CB 4.29Å
244	Y	96.1	Very high	94	Very high	24 Å²	24	50.1 Å²	50.1	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.5	-177.3	-62.4	-95.9	0	0	0	110.9	A195 Y196 T197 N198 T236 I237 T241 G242	A195-Y244 PolarHBondContact O-OH 2.81Å; Y196-Y244 WeakPolarHBondContact O-CD1 3.05Å; Y196-Y244 VanDerWaalsContact O-CE1 3.22Å; Y196-Y244 WeakPolarHBondContact O-CE1 3.32Å; T197-Y244 HydrophobicContact CG2-CE1 4.24Å; T197-Y244 HydrophobicContact CG2-CE2 4.44Å; N198-Y244 WeakPolarHBondContact OD1-CA 3.07Å; T236-Y244 WeakPolarHBondContact CA-O 3.4Å; I237-Y244 PolarHBondContact N-O 3.28Å; I237-Y244 PolarHBondContact O-N 3.15Å; T241-Y244 VanDerWaalsContact OG1-CE2 3.3Å; T241-Y244 WeakPolarHBondContact OG1-CE2 3.31Å; T241-Y244 PolarHBondContact OG1-OH 2.82Å; G242-Y244 WeakPolarHBondContact O-CD2 3.24Å; G242-Y244 WeakPolarHBondContact O-CE2 3.2Å
245	V	94.9	Very high	94.2	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.5	173.5	59.8	0	0	0	0	109.1	N198 I202 Y203 K234 M247	N198-V245 WeakPolarHBondContact OD1-CB 3.48Å; N198-V245 PolarHBondContact OD1-N 3.34Å; I202-V245 HydrophobicContact CB-CG1 4.46Å; Y203-V245 HydrophobicContact CD2-CG1 4.02Å; K234-V245 HydrophobicContact CD-CG2 3.93Å; K234-V245 VanDerWaalsContact CE-CG2 3.43Å; K234-V245 HydrophobicContact CG-CG2 3.88Å; V245-M247 HydrophobicContact CG2-SD 4.18Å
246	V	96.2	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.4	179.4	-178.5	0	0	0	0	108.8	H136 K190 E235 I237	H136-V246 WeakPolarHBondContact NE2-CG2 3.29Å; K190-V246 HydrophobicContact CB-CG1 3.9Å; K190-V246 HydrophobicContact CD-CG1 4.48Å; K190-V246 HydrophobicContact CG-CG1 4.5Å; E235-V246 PolarHBondContact N-O 2.93Å; E235-V246 PolarHBondContact O-N 2.93Å; I237-V246 HydrophobicContact CB-CG2 4.26Å; I237-V246 HydrophobicContact CD1-CB 4.15Å; I237-V246 HydrophobicContact CD1-CG1 4.4Å; I237-V246 HydrophobicContact CD1-CG2 3.6Å; I237-V246 HydrophobicContact CG1-CB 4.3Å; I237-V246 HydrophobicContact CG1-CG2 3.74Å
247	M	95.1	Very high	94.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.7	175	-54.7	-56.6	-76.4	0	0	108.1	K190 F191 Y203 W205 K234 V245	K190-M247 WeakPolarHBondContact CA-O 3.39Å; F191-M247 HydrophobicContact CD1-CB 4.06Å; F191-M247 HydrophobicContact CD2-CB 4Å; F191-M247 HydrophobicContact CD2-CG 4.27Å; F191-M247 HydrophobicContact CE1-CB 3.55Å; F191-M247 HydrophobicContact CE2-CB 3.5Å; F191-M247 VanDerWaalsContact CE2-CB 3.5Å; F191-M247 HydrophobicContact CE2-CG 3.63Å; F191-M247 HydrophobicContact CG-CB 4.26Å; F191-M247 HydrophobicContact CZ-CB 3.27Å; F191-M247 HydrophobicContact CZ-CG 3.8Å; F191-M247 PolarHBondContact N-O 3.39Å; F191-M247 PolarHBondContact O-N 3.13Å; Y203-M247 VanDerWaalsContact CB-CG 3.46Å; Y203-M247 HydrophobicContact CG-CG 4.26Å; W205-M247 HydrophobicContact CD2-CE 3.64Å; W205-M247 VanDerWaalsContact CE2-CE 3.45Å; W205-M247 HydrophobicContact CE3-CE 4.48Å; W205-M247 HydrophobicContact CG-CE 3.61Å; W205-M247 HydrophobicContact CZ2-CB 4.15Å; W205-M247 HydrophobicContact CZ2-CE 4.15Å; K234-M247 HydrophobicContact CB-SD 4.46Å; K234-M247 HydrophobicContact CD-SD 4.41Å; K234-M247 HydrophobicContact CG-SD 4.28Å; V245-M247 HydrophobicContact CG2-SD 4.18Å
248	T	94.3	Very high	94.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.8	-174.7	-59.1	0	0	0	0	110.2	L189 K190 I232 G233 Y250	L189-T248 WeakPolarHBondContact O-CA 3.48Å; K190-T248 HydrophobicContact CG-CG2 3.98Å; I232-T248 WeakPolarHBondContact CA-O 3.47Å; G233-T248 PolarHBondContact N-O 3.28Å; G233-T248 PolarHBondContact O-N 2.7Å; G233-T248 VanDerWaalsContact O-O 3.14Å; T248-Y250 HydrophobicContact CG2-CD2 3.88Å; T248-Y250 HydrophobicContact CG2-CE1 4.37Å; T248-Y250 HydrophobicContact CG2-CE2 3.36Å
249	T	94.9	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.2	170.1	-59.1	0	0	0	0	109.1	P188 L189 V213 H230 V231 I232 F251	P188-T249 CarbonylContact C-O 3.55Å; P188-T249 WeakPolarHBondContact CA-O 3.36Å; L189-T249 PolarHBondContact N-O 3.35Å; L189-T249 PolarHBondContact O-N 2.65Å; V213-T249 HydrophobicContact CG1-CG2 4.24Å; V213-T249 HydrophobicContact CG2-CG2 4.25Å; H230-T249 HydrophobicContact CB-CG2 4.36Å; V231-T249 CarbonylContact O-C 3.59Å; V231-T249 WeakPolarHBondContact O-CA 3.43Å; I232-T249 HydrophobicContact CG2-CG2 3.85Å; I232-T249 WeakPolarHBondContact CG2-OG1 3.27Å; T249-F251 HydrophobicContact CG2-CD2 4.23Å; T249-F251 HydrophobicContact CG2-CE1 4.05Å; T249-F251 HydrophobicContact CG2-CE2 3.67Å; T249-F251 HydrophobicContact CG2-CZ 3.57Å
250	Y	94.5	Very high	94.1	Very high	71 Å²	71	43.2 Å²	43.2	28%	0.278	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.3	174.3	-69.2	-81.4	0	0	0	109.8	A186 C187 P188 H230 V231 E235 T248	A186-Y250 HydrophobicContact CB-CD1 4.07Å; C187-Y250 WeakPolarHBondContact O-CA 3.44Å; P188-Y250 HydrophobicContact CB-CD1 4.01Å; P188-Y250 HydrophobicContact CB-CE1 3.78Å; H230-Y250 CarbonylContact C-O 3.54Å; H230-Y250 WeakPolarHBondContact CA-O 3.5Å; H230-Y250 WeakPolarHBondContact CB-O 3.33Å; V231-Y250 PolarHBondContact N-O 2.94Å; V231-Y250 PolarHBondContact O-N 2.86Å; E235-Y250 PolarHBondContact OE1-OH 3.3Å; T248-Y250 HydrophobicContact CG2-CD2 3.88Å; T248-Y250 HydrophobicContact CG2-CE1 4.37Å; T248-Y250 HydrophobicContact CG2-CE2 3.36Å
251	F	94.5	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.1	171.7	-64.1	-80.2	0	0	0	109.7	V81 F84 I96 A186 C187 L189 V213 V215 L227 H230 T249 L253	V81-F251 HydrophobicContact CG2-CE1 4.14Å; V81-F251 HydrophobicContact CG2-CZ 4.05Å; F84-F251 HydrophobicContact CD2-CD1 4.45Å; F84-F251 HydrophobicContact CE2-CB 3.9Å; F84-F251 AromaticContact CE2-CD1 3.99Å; F84-F251 HydrophobicContact CE2-CD1 3.99Å; F84-F251 HydrophobicContact CE2-CD2 4.1Å; F84-F251 AromaticContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CZ-CB 4.31Å; I96-F251 HydrophobicContact CD1-CD2 4.49Å; I96-F251 HydrophobicContact CD1-CE1 4.28Å; I96-F251 HydrophobicContact CD1-CE2 3.74Å; I96-F251 HydrophobicContact CD1-CZ 3.61Å; A186-F251 CarbonylContact C-O 3.56Å; A186-F251 WeakPolarHBondContact CA-O 3.41Å; C187-F251 PolarHBondContact N-O 2.83Å; C187-F251 PolarHBondContact O-N 3.48Å; L189-F251 HydrophobicContact CB-CE2 4.05Å; L189-F251 HydrophobicContact CD2-CE2 4.28Å; V213-F251 HydrophobicContact CG1-CE1 4.44Å; V213-F251 HydrophobicContact CG1-CZ 4.45Å; V215-F251 HydrophobicContact CG2-CE1 4.39Å; L227-F251 HydrophobicContact CD1-CB 4.12Å; L227-F251 HydrophobicContact CD1-CD1 4.22Å; H230-F251 HydrophobicContact CB-CD1 3.85Å; H230-F251 HydrophobicContact CB-CE1 4.09Å; T249-F251 HydrophobicContact CG2-CD2 4.23Å; T249-F251 HydrophobicContact CG2-CE1 4.05Å; T249-F251 HydrophobicContact CG2-CE2 3.67Å; T249-F251 HydrophobicContact CG2-CZ 3.57Å; F251-L253 PolarHBondContact O-N 2.99Å
252	H	93.8	Very high	94.2	Very high	26 Å²	26	41 Å²	41	12%	0.12	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.5	-178.9	-64.2	-78.8	0	0	0	110.2	H185 L228 G229 V231 I473	H185-H252 WeakPolarHBondContact O-CA 3.43Å; L228-H252 HydrophobicContact CB-CB 4.12Å; L228-H252 PolarHBondContact N-O 3.01Å; G229-H252 PolarHBondContact O-N 2.87Å; V231-H252 VanDerWaalsContact CG2-NE2 3.32Å; V231-H252 WeakPolarHBondContact CG2-NE2 3.46Å; H252-I473 WeakPolarHBondContact CE1-CG2 3.32Å; H252-I473 WeakPolarHBondContact ND1-CG2 3.36Å
253	L	93.9	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.1	-179.8	-58.7	178.6	0	0	0	109.7	F84 V87 A184 H185 C187 L222 Y225 D226 L227 F251	F84-L253 HydrophobicContact CE1-CD1 4.16Å; F84-L253 HydrophobicContact CE1-CD2 4.14Å; F84-L253 HydrophobicContact CZ-CD1 4.11Å; F84-L253 HydrophobicContact CZ-CD2 4.11Å; V87-L253 HydrophobicContact CG2-CD1 3.82Å; A184-L253 CarbonylContact C-O 3.57Å; A184-L253 VanDerWaalsContact CA-O 3.25Å; A184-L253 WeakPolarHBondContact CA-O 3.14Å; H185-L253 PolarHBondContact N-O 2.87Å; H185-L253 PolarHBondContact O-N 2.82Å; C187-L253 HydrophobicContact CB-CD1 4.43Å; L222-L253 HydrophobicContact CD1-CD2 3.93Å; Y225-L253 HydrophobicContact CD1-CB 3.93Å; Y225-L253 HydrophobicContact CG-CB 4.48Å; D226-L253 WeakPolarHBondContact O-CA 3.43Å; L227-L253 HydrophobicContact CB-CD2 4.33Å; L227-L253 HydrophobicContact CD1-CD2 3.78Å; F251-L253 PolarHBondContact O-N 2.99Å
254	K	93.1	Very high	93.9	Very high	96 Å²	96	38.9 Å²	38.9	42%	0.417	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.1	172.7	-178.6	171.6	-177.2	174.4	0	110.3	A184 Y225 D226 L228	A184-K254 HydrophobicContact CB-CB 4.42Å; Y225-K254 CarbonylContact C-O 3.45Å; Y225-K254 VanDerWaalsContact CA-O 3.29Å; Y225-K254 WeakPolarHBondContact CA-O 3.48Å; D226-K254 PolarHBondContact N-O 2.78Å; D226-K254 PolarHBondContact O-N 2.69Å; L228-K254 HydrophobicContact CD1-CB 3.83Å; L228-K254 HydrophobicContact CD1-CD 4.39Å; L228-K254 HydrophobicContact CD2-CB 4.23Å; L228-K254 HydrophobicContact CG-CB 4.03Å
255	R	94	Very high	93.9	Very high	10 Å²	10	37.8 Å²	37.8	4%	0.038	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	141.2	-178.2	-168.7	-178.8	-58.9	-86.3	8.7	111.9	D89 P181 D183 Y225 F260	D89-R255 IonicContact OD1-CZ 2.9Å; D89-R255 IonicContact OD1-NH1 3.42Å; D89-R255 IonicContact OD1-NH2 3.36Å; D89-R255 IonicContact OD2-CZ 3.47Å; D89-R255 IonicContact OD2-NH1 2.73Å; D89-R255 PolarHBondContact OD2-NH1 3.03Å; D89-R255 IonicContact OD2-NH2 3.44Å; D89-R255 PolarHBondContact OD2-NH2 3.48Å; P181-R255 WeakPolarHBondContact O-CD 3.44Å; D183-R255 PolarHBondContact O-N 3.23Å; D183-R255 WeakPolarHBondContact OD1-CB 3.34Å; D183-R255 WeakPolarHBondContact OD1-CD 3.16Å; D183-R255 IonicContact OD1-CZ 3.59Å; D183-R255 IonicContact OD1-NE 2.78Å; D183-R255 PolarHBondContact OD1-NE 3.07Å; D183-R255 IonicContact OD1-NH2 2.72Å; D183-R255 IonicContact OD2-CZ 2.77Å; D183-R255 IonicContact OD2-NE 3.45Å; D183-R255 PolarHBondContact OD2-NE 3.48Å; D183-R255 IonicContact OD2-NH2 3.67Å; D183-R255 PolarHBondContact OD2-NH2 3.07Å; D183-R255 VanDerWaalsContact OD2-NH2 3.14Å; Y225-R255 HydrophobicContact CD1-CB 4.1Å; Y225-R255 HydrophobicContact CE1-CB 3.95Å; Y225-R255 HydrophobicContact CE1-CG 4.4Å; Y225-R255 PolarHBondContact OH-NH1 3.34Å; Y225-R255 PolarHBondContact OH-NH2 3.31Å; R255-F260 HydrophobicContact CG-CE2 4.34Å
256	K	93.3	Very high	93.9	Very high	84 Å²	84	41.7 Å²	41.7	37%	0.365	21%	0.205	S	C	.	.			trans	-80.9	118.7	169.5	-68.3	177.6	-179.6	166.2	0	110.1	Q224 D226 G258	Q224-K256 PolarHBondContact O-N 3.17Å; D226-K256 WeakPolarHBondContact OD1-CE 3.29Å; D226-K256 IonicContact OD1-NZ 2.93Å; D226-K256 PolarHBondContact OD1-NZ 2.82Å; D226-K256 WeakPolarHBondContact OD2-CE 3.25Å; K256-G258 PolarHBondContact O-N 3.08Å
257	I	92.6	Very high	93.9	Very high	56 Å²	56	43.3 Å²	43.3	29%	0.287	22%	0.216	S	C	.	.			trans	-76.6	-19.8	-175.8	-169.3	52.5	0	0	0	114.1	P181 M182 Y259 F260 V261 Y265	P181-I257 HydrophobicContact CB-CD1 3.8Å; P181-I257 HydrophobicContact CG-CD1 3.54Å; M182-I257 HydrophobicContact CG-CD1 4.01Å; M182-I257 HydrophobicContact CG-CG1 4.29Å; I257-Y259 PolarHBondContact O-N 3.42Å; I257-F260 HydrophobicContact CD1-CB 4.3Å; I257-F260 PolarHBondContact O-N 2.94Å; I257-F260 VanDerWaalsContact O-N 3.16Å; I257-V261 HydrophobicContact CG1-CG2 3.91Å; I257-V261 WeakPolarHBondContact O-CG2 3.43Å; I257-V261 PolarHBondContact O-N 3.42Å; I257-V261 VanDerWaalsContact O-N 3.13Å; I257-Y265 HydrophobicContact CD1-CE2 4.37Å
258	G	91.8	Very high	94	Very high	40 Å²	40	43.2 Å²	43.2	41%	0.412	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-39.3	-168	0	0	0	0	0	115.3	K256 V261 I262	K256-G258 PolarHBondContact O-N 3.08Å; G258-V261 PolarHBondContact O-N 2.79Å; G258-I262 PolarHBondContact O-N 3.38Å
259	Y	92.6	Very high	94.1	Very high	124 Å²	124	45.4 Å²	45.4	49%	0.486	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-47.5	178	173.9	-101	0	0	0	112.1	I257 V261 I262 Q263	I257-Y259 PolarHBondContact O-N 3.42Å; Y259-V261 VanDerWaalsContact C-N 3.31Å; Y259-V261 PolarHBondContact O-N 3.14Å; Y259-I262 PolarHBondContact O-N 3.42Å; Y259-Q263 VanDerWaalsContact CZ-CD 3.49Å; Y259-Q263 WeakPolarHBondContact O-CB 3.41Å; Y259-Q263 PolarHBondContact O-N 2.95Å; Y259-Q263 PolarHBondContact OH-NE2 3.23Å; Y259-Q263 PolarHBondContact OH-OE1 2.93Å
260	F	93.3	Very high	94.1	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-31.1	-179.3	-60	-75.7	0	0	0	112.3	F180 P181 R255 I257 T264 Y265	F180-F260 HydrophobicContact CE1-CD1 4.26Å; F180-F260 HydrophobicContact CE1-CE1 4.05Å; F180-F260 HydrophobicContact CE1-CZ 4.46Å; F180-F260 HydrophobicContact CE2-CE1 4.28Å; F180-F260 HydrophobicContact CE2-CE2 4.43Å; F180-F260 AromaticContact CE2-CZ 3.92Å; F180-F260 HydrophobicContact CE2-CZ 3.92Å; F180-F260 AromaticContact CZ-CD1 3.97Å; F180-F260 HydrophobicContact CZ-CD1 3.97Å; F180-F260 AromaticContact CZ-CE1 3.35Å; F180-F260 HydrophobicContact CZ-CE1 3.35Å; F180-F260 HydrophobicContact CZ-CE2 4.16Å; F180-F260 AromaticContact CZ-CZ 3.44Å; F180-F260 HydrophobicContact CZ-CZ 3.44Å; F180-F260 VanDerWaalsContact CZ-CZ 3.44Å; P181-F260 HydrophobicContact CB-CB 4.24Å; P181-F260 HydrophobicContact CB-CD1 4.39Å; P181-F260 HydrophobicContact CB-CD2 3.47Å; P181-F260 VanDerWaalsContact CB-CD2 3.47Å; P181-F260 HydrophobicContact CB-CE2 3.91Å; P181-F260 HydrophobicContact CB-CG 3.75Å; P181-F260 HydrophobicContact CG-CB 3.78Å; P181-F260 HydrophobicContact CG-CD1 4.35Å; P181-F260 HydrophobicContact CG-CD2 4Å; P181-F260 HydrophobicContact CG-CG 3.76Å; R255-F260 HydrophobicContact CG-CE2 4.34Å; I257-F260 HydrophobicContact CD1-CB 4.3Å; I257-F260 PolarHBondContact O-N 2.94Å; I257-F260 VanDerWaalsContact O-N 3.16Å; F260-T264 WeakPolarHBondContact O-CA 3.36Å; F260-T264 WeakPolarHBondContact O-CB 3.49Å; F260-T264 PolarHBondContact O-N 2.77Å; F260-Y265 HydrophobicContact CB-CD2 4.43Å; F260-Y265 HydrophobicContact CB-CE2 4.25Å; F260-Y265 WeakPolarHBondContact O-CD2 3.41Å; F260-Y265 PolarHBondContact O-N 2.86Å
261	V	94.4	Very high	94.2	Very high	51 Å²	51	47.5 Å²	47.5	31%	0.309	24%	0.241	S	C	.	.	I	π-helix	trans	-60.1	-49.3	173.7	172.3	0	0	0	0	110.7	I257 G258 Y259 Y265 L266 W463	I257-V261 HydrophobicContact CG1-CG2 3.91Å; I257-V261 WeakPolarHBondContact O-CG2 3.43Å; I257-V261 PolarHBondContact O-N 3.42Å; I257-V261 VanDerWaalsContact O-N 3.13Å; G258-V261 PolarHBondContact O-N 2.79Å; Y259-V261 VanDerWaalsContact C-N 3.31Å; Y259-V261 PolarHBondContact O-N 3.14Å; V261-Y265 HydrophobicContact CG2-CD2 4.49Å; V261-L266 VanDerWaalsContact O-CB 3.25Å; V261-L266 WeakPolarHBondContact O-CB 3.31Å; V261-L266 PolarHBondContact O-N 2.75Å; V261-W463 HydrophobicContact CG2-CH2 4.22Å
262	I	93.9	Very high	94.3	Very high	123 Å²	123	47.5 Å²	47.5	63%	0.631	24%	0.241	S	C	*	.	I	π-helix	trans	-73.6	-41.4	-176.7	-63	169.6	0	0	0	111.2	G258 Y259 P267	G258-I262 PolarHBondContact O-N 3.38Å; Y259-I262 PolarHBondContact O-N 3.42Å; I262-P267 VanDerWaalsContact O-CD 3.24Å; I262-P267 WeakPolarHBondContact O-CD 3.37Å
263	Q	91.4	Very high	94.3	Very high	83 Å²	83	50.4 Å²	50.4	39%	0.388	26%	0.256	S	S	.	.	I	π-helix	trans	-86	-30	-172.5	-163.7	-176	39.3	0	0	114	Y259 P267	Y259-Q263 VanDerWaalsContact CZ-CD 3.49Å; Y259-Q263 WeakPolarHBondContact O-CB 3.41Å; Y259-Q263 PolarHBondContact O-N 2.95Å; Y259-Q263 PolarHBondContact OH-NE2 3.23Å; Y259-Q263 PolarHBondContact OH-OE1 2.93Å; Q263-P267 WeakPolarHBondContact O-CG 3.33Å
264	T	93.5	Very high	94.3	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.055	28%	0.278	C	S	.	.	I	π-helix	trans	-119.1	-60.4	-172.7	-48.9	0	0	0	0	111.9	F260 L266 P267 C268 A307 M320 M324	F260-T264 WeakPolarHBondContact O-CA 3.36Å; F260-T264 WeakPolarHBondContact O-CB 3.49Å; F260-T264 PolarHBondContact O-N 2.77Å; T264-L266 PolarHBondContact O-N 2.85Å; T264-P267 WeakPolarHBondContact O-CD 3.31Å; T264-C268 WeakPolarHBondContact O-CB 3.46Å; T264-C268 PolarHBondContact O-N 3.15Å; T264-C268 VanDerWaalsContact O-N 3.13Å; T264-C268 PolarHBondContact O-SG 3.37Å; T264-A307 HydrophobicContact CG2-CB 4.22Å; T264-M320 HydrophobicContact CG2-CG 4.33Å; T264-M320 HydrophobicContact CG2-SD 3.96Å; T264-M324 HydrophobicContact CG2-SD 3.95Å
265	Y	95.3	Very high	94.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.008	26%	0.259	C	S	.	.	I	π-helix	trans	-64.5	-47.3	-172.3	-70	-84.3	0	0	0	112.6	P181 I257 F260 V261 C268 I269 F323 Y462 W463	P181-Y265 VanDerWaalsContact CD-OH 3.31Å; P181-Y265 WeakPolarHBondContact CD-OH 3.43Å; P181-Y265 HydrophobicContact CG-CE2 4.04Å; I257-Y265 HydrophobicContact CD1-CE2 4.37Å; F260-Y265 HydrophobicContact CB-CD2 4.43Å; F260-Y265 HydrophobicContact CB-CE2 4.25Å; F260-Y265 WeakPolarHBondContact O-CD2 3.41Å; F260-Y265 PolarHBondContact O-N 2.86Å; V261-Y265 HydrophobicContact CG2-CD2 4.49Å; Y265-C268 PolarHBondContact O-N 2.85Å; Y265-I269 VanDerWaalsContact O-CG1 3.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.35Å; Y265-I269 PolarHBondContact O-N 2.94Å; Y265-F323 AromaticContact CD1-CD1 3.53Å; Y265-F323 HydrophobicContact CD1-CD1 3.53Å; Y265-F323 HydrophobicContact CD1-CD2 4.09Å; Y265-F323 AromaticContact CD1-CE1 3.51Å; Y265-F323 HydrophobicContact CD1-CE1 3.51Å; Y265-F323 HydrophobicContact CD1-CE2 4.07Å; Y265-F323 AromaticContact CD1-CG 3.84Å; Y265-F323 HydrophobicContact CD1-CG 3.84Å; Y265-F323 AromaticContact CD1-CZ 3.79Å; Y265-F323 HydrophobicContact CD1-CZ 3.79Å; Y265-F323 HydrophobicContact CE1-CB 3.97Å; Y265-F323 AromaticContact CE1-CD1 3.67Å; Y265-F323 HydrophobicContact CE1-CD1 3.67Å; Y265-F323 AromaticContact CE1-CD2 3.95Å; Y265-F323 HydrophobicContact CE1-CD2 3.95Å; Y265-F323 HydrophobicContact CE1-CE1 4.13Å; Y265-F323 HydrophobicContact CE1-CE2 4.38Å; Y265-F323 AromaticContact CE1-CG 3.58Å; Y265-F323 HydrophobicContact CE1-CG 3.58Å; Y265-F323 HydrophobicContact CE1-CZ 4.47Å; Y265-F323 HydrophobicContact CG-CE1 4.46Å; Y265-Y462 AromaticContact CE1-CE1 3.7Å; Y265-Y462 HydrophobicContact CE1-CE1 3.7Å; Y265-Y462 AromaticContact CE1-CZ 3.97Å; Y265-Y462 PolarHBondContact OH-OH 2.87Å; Y265-W463 AromaticContact CD1-CH2 3.97Å; Y265-W463 HydrophobicContact CD1-CH2 3.97Å; Y265-W463 AromaticContact CD1-CZ2 3.67Å; Y265-W463 HydrophobicContact CD1-CZ2 3.67Å; Y265-W463 HydrophobicContact CD2-CH2 4.06Å; Y265-W463 HydrophobicContact CD2-CZ2 4.43Å; Y265-W463 HydrophobicContact CE1-CH2 4.13Å; Y265-W463 HydrophobicContact CE1-CZ2 4.12Å; Y265-W463 HydrophobicContact CE2-CH2 4.22Å; Y265-W463 AromaticContact CG-CH2 3.95Å; Y265-W463 HydrophobicContact CG-CH2 3.95Å; Y265-W463 AromaticContact CG-CZ2 3.86Å; Y265-W463 HydrophobicContact CG-CZ2 3.86Å
266	L	95.7	Very high	94.3	Very high	87 Å²	87	50.5 Å²	50.5	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-48.8	-178.3	-177.4	157.8	0	0	0	111.9	V261 T264 C268 I269 M270	V261-L266 VanDerWaalsContact O-CB 3.25Å; V261-L266 WeakPolarHBondContact O-CB 3.31Å; V261-L266 PolarHBondContact O-N 2.75Å; T264-L266 PolarHBondContact O-N 2.85Å; L266-C268 VanDerWaalsContact C-N 3.27Å; L266-C268 PolarHBondContact O-N 3.21Å; L266-I269 PolarHBondContact O-N 2.69Å; L266-M270 HydrophobicContact CD2-CG 4.14Å; L266-M270 HydrophobicContact CD2-SD 3.4Å; L266-M270 WeakPolarHBondContact CD2-SD 3.36Å; L266-M270 HydrophobicContact CG-SD 4.45Å; L266-M270 WeakPolarHBondContact O-CB 3.27Å; L266-M270 VanDerWaalsContact O-CG 3.32Å; L266-M270 WeakPolarHBondContact O-CG 3.49Å; L266-M270 PolarHBondContact O-N 2.56Å
267	P	96.3	Very high	94.2	Very high	34 Å²	34	49.5 Å²	49.5	22%	0.221	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-35	173.5	-30.4	38.6	0	0	0	114.1	I262 Q263 T264 T271 L303	I262-P267 VanDerWaalsContact O-CD 3.24Å; I262-P267 WeakPolarHBondContact O-CD 3.37Å; Q263-P267 WeakPolarHBondContact O-CG 3.33Å; T264-P267 WeakPolarHBondContact O-CD 3.31Å; P267-T271 WeakPolarHBondContact O-CB 3.25Å; P267-T271 PolarHBondContact O-N 3.29Å; P267-T271 PolarHBondContact O-OG1 2.8Å; P267-L303 HydrophobicContact CB-CD1 3.94Å; P267-L303 HydrophobicContact CB-CD2 4.1Å
268	C	96.4	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71	-44.4	177.9	-66.9	0	0	0	0	112.2	T264 Y265 L266 M270 T271 V272 M300 F323 M324	T264-C268 WeakPolarHBondContact O-CB 3.46Å; T264-C268 PolarHBondContact O-N 3.15Å; T264-C268 VanDerWaalsContact O-N 3.13Å; T264-C268 PolarHBondContact O-SG 3.37Å; Y265-C268 PolarHBondContact O-N 2.85Å; L266-C268 VanDerWaalsContact C-N 3.27Å; L266-C268 PolarHBondContact O-N 3.21Å; C268-M270 VanDerWaalsContact C-N 3.31Å; C268-M270 PolarHBondContact O-N 3.29Å; C268-T271 PolarHBondContact O-N 2.89Å; C268-V272 WeakPolarHBondContact O-CG2 3.28Å; C268-V272 PolarHBondContact O-N 3.13Å; C268-M300 HydrophobicContact CB-CE 4.43Å; C268-M300 HydrophobicContact CB-SD 4.45Å; C268-F323 HydrophobicContact CB-CE1 4.09Å; C268-M324 HydrophobicContact CB-SD 4.19Å; C268-M324 WeakPolarHBondContact SG-CE 3.28Å; C268-M324 PolarHBondContact SG-SD 3.16Å
269	I	96.6	Very high	94	Very high	47 Å²	47	45.1 Å²	45.1	24%	0.241	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-46.4	173	-69.6	165.3	0	0	0	110	Y265 L266 T271 V272 I273 F323 F455	Y265-I269 VanDerWaalsContact O-CG1 3.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.35Å; Y265-I269 PolarHBondContact O-N 2.94Å; L266-I269 PolarHBondContact O-N 2.69Å; I269-T271 VanDerWaalsContact C-N 3.34Å; I269-T271 PolarHBondContact O-N 3.41Å; I269-V272 PolarHBondContact O-N 3.42Å; I269-I273 HydrophobicContact CG2-CD1 3.83Å; I269-I273 VanDerWaalsContact O-CG1 3.3Å; I269-I273 WeakPolarHBondContact O-CG1 3.5Å; I269-I273 PolarHBondContact O-N 3.16Å; I269-F323 HydrophobicContact CD1-CZ 4.31Å; I269-F323 HydrophobicContact CG1-CZ 3.96Å; I269-F455 HydrophobicContact CG1-CE1 4.33Å; I269-F455 HydrophobicContact CG1-CZ 4.11Å; I269-F455 HydrophobicContact CG2-CE1 4.24Å
270	M	95.4	Very high	93.8	Very high	106 Å²	106	47.3 Å²	47.3	52%	0.522	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-41.4	176.4	-71.5	-177.6	75.3	0	0	112.2	L266 C268 I273 L274	L266-M270 HydrophobicContact CD2-CG 4.14Å; L266-M270 HydrophobicContact CD2-SD 3.4Å; L266-M270 WeakPolarHBondContact CD2-SD 3.36Å; L266-M270 HydrophobicContact CG-SD 4.45Å; L266-M270 WeakPolarHBondContact O-CB 3.27Å; L266-M270 VanDerWaalsContact O-CG 3.32Å; L266-M270 WeakPolarHBondContact O-CG 3.49Å; L266-M270 PolarHBondContact O-N 2.56Å; C268-M270 VanDerWaalsContact C-N 3.31Å; C268-M270 PolarHBondContact O-N 3.29Å; M270-I273 PolarHBondContact O-N 3.22Å; M270-L274 WeakPolarHBondContact O-CB 3.16Å; M270-L274 VanDerWaalsContact O-CG 3.28Å; M270-L274 WeakPolarHBondContact O-CG 3.18Å; M270-L274 PolarHBondContact O-N 3.36Å
271	T	95.8	Very high	93.6	Very high	9 Å²	9	49 Å²	49	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-41.2	178.2	-58.5	0	0	0	0	111.7	P267 C268 I269 L274 S275 T296 T299 M300 V331	P267-T271 WeakPolarHBondContact O-CB 3.25Å; P267-T271 PolarHBondContact O-N 3.29Å; P267-T271 PolarHBondContact O-OG1 2.8Å; C268-T271 PolarHBondContact O-N 2.89Å; I269-T271 VanDerWaalsContact C-N 3.34Å; I269-T271 PolarHBondContact O-N 3.41Å; T271-L274 PolarHBondContact O-N 2.83Å; T271-S275 PolarHBondContact O-N 2.9Å; T271-T296 HydrophobicContact CG2-CG2 4.4Å; T271-T299 HydrophobicContact CG2-CG2 4.26Å; T271-M300 HydrophobicContact CG2-CB 4.45Å; T271-V331 HydrophobicContact CG2-CG2 4.39Å
272	V	96.7	Very high	93.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-46.7	174.5	173.9	0	0	0	0	110.6	C268 I269 L274 S275 Q276 C327 F330 V331 F455	C268-V272 WeakPolarHBondContact O-CG2 3.28Å; C268-V272 PolarHBondContact O-N 3.13Å; I269-V272 PolarHBondContact O-N 3.42Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.33Å; V272-S275 PolarHBondContact O-N 3.09Å; V272-S275 VanDerWaalsContact O-N 3.16Å; V272-S275 PolarHBondContact O-OG 2.97Å; V272-Q276 WeakPolarHBondContact O-CG 3.23Å; V272-Q276 PolarHBondContact O-N 3.42Å; V272-C327 HydrophobicContact CG2-CB 3.74Å; V272-F330 HydrophobicContact CG1-CB 4.14Å; V272-V331 HydrophobicContact CG2-CG2 4.05Å; V272-F455 HydrophobicContact CB-CE1 4.11Å; V272-F455 HydrophobicContact CB-CE2 4.27Å; V272-F455 HydrophobicContact CB-CZ 3.93Å; V272-F455 HydrophobicContact CG1-CD1 3.9Å; V272-F455 HydrophobicContact CG1-CD2 3.92Å; V272-F455 HydrophobicContact CG1-CE1 3.89Å; V272-F455 HydrophobicContact CG1-CE2 3.93Å; V272-F455 HydrophobicContact CG1-CG 3.91Å; V272-F455 HydrophobicContact CG1-CZ 3.91Å; V272-F455 HydrophobicContact CG2-CE2 4.05Å; V272-F455 HydrophobicContact CG2-CZ 4Å
273	I	94.9	Very high	92.6	Very high	87 Å²	87	46.8 Å²	46.8	45%	0.446	23%	0.231	S	C	.	.	H	α-helix	trans	-58.9	-44.5	175.9	-67	167.2	0	0	0	110.8	I269 M270 S275 Q276 V277	I269-I273 HydrophobicContact CG2-CD1 3.83Å; I269-I273 VanDerWaalsContact O-CG1 3.3Å; I269-I273 WeakPolarHBondContact O-CG1 3.5Å; I269-I273 PolarHBondContact O-N 3.16Å; M270-I273 PolarHBondContact O-N 3.22Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 2.93Å; I273-Q276 WeakPolarHBondContact O-CB 3.47Å; I273-Q276 PolarHBondContact O-N 3.23Å; I273-V277 PolarHBondContact O-N 3.47Å; I273-V277 VanDerWaalsContact O-N 3.16Å
274	L	93.1	Very high	92.1	Very high	88 Å²	88	49 Å²	49	46%	0.461	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-38.3	176.9	-76.3	173.8	0	0	0	112.5	M270 T271 V272 Q276 V277 T296	M270-L274 WeakPolarHBondContact O-CB 3.16Å; M270-L274 VanDerWaalsContact O-CG 3.28Å; M270-L274 WeakPolarHBondContact O-CG 3.18Å; M270-L274 PolarHBondContact O-N 3.36Å; T271-L274 PolarHBondContact O-N 2.83Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.33Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 3.42Å; L274-V277 WeakPolarHBondContact O-CB 3.36Å; L274-V277 PolarHBondContact O-N 2.95Å; L274-T296 HydrophobicContact CB-CG2 4.22Å
275	S	94.6	Very high	91.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-33.2	175	74.9	0	0	0	0	112.5	T271 V272 I273 S278	T271-S275 PolarHBondContact O-N 2.9Å; V272-S275 PolarHBondContact O-N 3.09Å; V272-S275 VanDerWaalsContact O-N 3.16Å; V272-S275 PolarHBondContact O-OG 2.97Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 2.93Å; S275-S278 VanDerWaalsContact O-CB 3.31Å; S275-S278 WeakPolarHBondContact O-CB 3.43Å; S275-S278 PolarHBondContact O-N 3.43Å; S275-S278 PolarHBondContact O-OG 2.92Å
276	Q	92.7	Very high	91.6	Very high	18 Å²	18	52.9 Å²	52.9	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-75.6	-22.7	178.7	-63.6	171	7.5	0	0	112.9	V272 I273 L274 S278 F279 F451	V272-Q276 WeakPolarHBondContact O-CG 3.23Å; V272-Q276 PolarHBondContact O-N 3.42Å; I273-Q276 WeakPolarHBondContact O-CB 3.47Å; I273-Q276 PolarHBondContact O-N 3.23Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 3.42Å; Q276-S278 PolarHBondContact O-N 3.3Å; Q276-F279 HydrophobicContact CB-CD2 4.19Å; Q276-F279 HydrophobicContact CB-CE2 4.1Å; Q276-F279 HydrophobicContact CG-CE2 4.09Å; Q276-F279 VanDerWaalsContact O-CD2 3.24Å; Q276-F279 WeakPolarHBondContact O-CD2 3.44Å; Q276-F279 PolarHBondContact O-N 2.89Å; Q276-F451 HydrophobicContact CG-CB 4.24Å
277	V	91.6	Very high	91.4	Very high	62 Å²	62	53.4 Å²	53.4	38%	0.376	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-28.3	172.6	175.9	0	0	0	0	111	I273 L274 F279 W280	I273-V277 PolarHBondContact O-N 3.47Å; I273-V277 VanDerWaalsContact O-N 3.16Å; L274-V277 WeakPolarHBondContact O-CB 3.36Å; L274-V277 PolarHBondContact O-N 2.95Å; V277-F279 PolarHBondContact O-N 2.91Å; V277-F279 VanDerWaalsContact O-N 3.13Å; V277-W280 WeakPolarHBondContact O-CB 3.21Å; V277-W280 PolarHBondContact O-N 2.84Å
278	S	89.5	Confident	91.1	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.028	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-58.1	-26.2	177.6	74.9	0	0	0	0	114.1	S275 Q276 W280 L281 R289	S275-S278 VanDerWaalsContact O-CB 3.31Å; S275-S278 WeakPolarHBondContact O-CB 3.43Å; S275-S278 PolarHBondContact O-N 3.43Å; S275-S278 PolarHBondContact O-OG 2.92Å; Q276-S278 PolarHBondContact O-N 3.3Å; S278-W280 PolarHBondContact O-N 3.22Å; S278-L281 PolarHBondContact O-N 2.93Å; S278-R289 PolarHBondContact O-NE 2.82Å
279	F	90.1	Very high	90.9	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-72	-18.5	177.3	-52.9	-40.8	0	0	0	113.4	Q276 V277 A334 E337 R448 F451	Q276-F279 HydrophobicContact CB-CD2 4.19Å; Q276-F279 HydrophobicContact CB-CE2 4.1Å; Q276-F279 HydrophobicContact CG-CE2 4.09Å; Q276-F279 VanDerWaalsContact O-CD2 3.24Å; Q276-F279 WeakPolarHBondContact O-CD2 3.44Å; Q276-F279 PolarHBondContact O-N 2.89Å; V277-F279 PolarHBondContact O-N 2.91Å; V277-F279 VanDerWaalsContact O-N 3.13Å; F279-A334 HydrophobicContact CE1-CB 4.1Å; F279-A334 HydrophobicContact CZ-CB 3.75Å; F279-E337 WeakPolarHBondContact CD1-OE2 3.24Å; F279-E337 HydrophobicContact CE1-CB 4.1Å; F279-E337 HydrophobicContact CE1-CG 3.93Å; F279-E337 WeakPolarHBondContact CE1-OE2 3.4Å; F279-R448 HydrophobicContact CB-CG 3.77Å; F279-R448 VanDerWaalsContact O-CZ 3.27Å; F279-R448 PolarHBondContact O-NE 2.83Å; F279-R448 PolarHBondContact O-NH2 2.99Å; F279-F451 HydrophobicContact CE2-CB 3.85Å; F279-F451 HydrophobicContact CE2-CD1 4.03Å; F279-F451 AromaticContact CE2-CD2 3.95Å; F279-F451 HydrophobicContact CE2-CD2 3.95Å; F279-F451 HydrophobicContact CE2-CE2 4.49Å; F279-F451 AromaticContact CE2-CG 3.69Å; F279-F451 HydrophobicContact CE2-CG 3.69Å; F279-F451 AromaticContact CZ-CD1 3.9Å; F279-F451 HydrophobicContact CZ-CD1 3.9Å; F279-F451 AromaticContact CZ-CD2 3.98Å; F279-F451 HydrophobicContact CZ-CD2 3.98Å; F279-F451 AromaticContact CZ-CE1 3.99Å; F279-F451 HydrophobicContact CZ-CE1 3.99Å; F279-F451 HydrophobicContact CZ-CE2 4.06Å; F279-F451 AromaticContact CZ-CG 3.9Å; F279-F451 HydrophobicContact CZ-CG 3.9Å; F279-F451 HydrophobicContact CZ-CZ 4.06Å
280	W	89.4	Confident	90.7	Very high	169 Å²	169	53.9 Å²	53.9	64%	0.64	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-90.3	-18.5	179.1	-64.9	89	0	0	0	112.7	V277 S278 R448	V277-W280 WeakPolarHBondContact O-CB 3.21Å; V277-W280 PolarHBondContact O-N 2.84Å; S278-W280 PolarHBondContact O-N 3.22Å; W280-R448 HydrophobicContact CD2-CG 4.4Å; W280-R448 HydrophobicContact CZ2-CB 4.35Å; W280-R448 HydrophobicContact CZ2-CG 4.21Å
281	L	88.8	Confident	90.6	Very high	46 Å²	46	53.1 Å²	53.1	24%	0.241	29%	0.285	C	S	.	.	S	Bend	trans	-67.9	146.9	175.5	-86.1	125.8	0	0	0	111.5	S278 R283 A288 R289 F292	S278-L281 PolarHBondContact O-N 2.93Å; L281-R283 PolarHBondContact O-N 3.11Å; L281-A288 HydrophobicContact CD2-CB 3.89Å; L281-R289 HydrophobicContact CB-CG 3.92Å; L281-F292 HydrophobicContact CD1-CD2 3.91Å; L281-F292 HydrophobicContact CD1-CE2 3.98Å
282	N	85.9	Confident	90.3	Very high	81 Å²	81	56.5 Å²	56.5	43%	0.433	30%	0.299	S	S	.	.			trans	-60.9	134.8	175.2	-170.7	8.3	0	0	0	109.7	E284 S285	N282-E284 PolarHBondContact ND2-OE2 3.09Å; N282-E284 PolarHBondContact O-N 2.78Å; N282-S285 WeakPolarHBondContact O-CB 3.38Å; N282-S285 PolarHBondContact O-N 3.32Å
283	R	80.3	Confident	90	Very high	47 Å²	47	56.9 Å²	56.9	18%	0.177	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.4	179.1	60.3	-178.9	144.6	-177.3	-10.8	113.6	L281 S285 Y437	L281-R283 PolarHBondContact O-N 3.11Å; R283-S285 VanDerWaalsContact C-N 3.27Å; R283-Y437 VanDerWaalsContact NH2-CE2 3.33Å; R283-Y437 PolarHBondContact NH2-OH 3.42Å
284	E	81.4	Confident	90	Very high	129 Å²	129	56.6 Å²	56.6	60%	0.603	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.6	176.8	-65	169.5	172.1	0	0	112	N282 V286	N282-E284 PolarHBondContact ND2-OE2 3.09Å; N282-E284 PolarHBondContact O-N 2.78Å; E284-V286 PolarHBondContact O-N 2.85Å
285	S	88.4	Confident	90.1	Very high	48 Å²	48	55.9 Å²	55.9	34%	0.336	30%	0.304	S	S	.	.			trans	-84.4	55.4	178.5	-52.3	0	0	0	0	111.9	N282 R283 P287 A288 R289	N282-S285 WeakPolarHBondContact O-CB 3.38Å; N282-S285 PolarHBondContact O-N 3.32Å; R283-S285 VanDerWaalsContact C-N 3.27Å; S285-P287 VanDerWaalsContact C-CD 3.42Å; S285-P287 VanDerWaalsContact C-N 3.34Å; S285-A288 PolarHBondContact O-N 3.09Å; S285-A288 VanDerWaalsContact O-N 3.12Å; S285-R289 PolarHBondContact O-N 3.31Å
286	V	89.1	Confident	90.1	Very high	46 Å²	46	56.1 Å²	56.1	28%	0.279	31%	0.306	S	S	.	.	H	α-helix	trans	-51.6	-43.2	179.8	-178.5	0	0	0	0	113.1	E284 A288 R289 T290 F338 N342	E284-V286 PolarHBondContact O-N 2.85Å; V286-A288 VanDerWaalsContact C-N 3.34Å; V286-A288 PolarHBondContact O-N 2.91Å; V286-R289 PolarHBondContact O-N 2.91Å; V286-T290 WeakPolarHBondContact O-CB 3.46Å; V286-T290 PolarHBondContact O-N 3.25Å; V286-T290 PolarHBondContact O-OG1 3.13Å; V286-F338 HydrophobicContact CG1-CE2 4.33Å; V286-F338 HydrophobicContact CG1-CZ 3.86Å; V286-N342 WeakPolarHBondContact CG1-ND2 3.38Å
287	P	92.3	Very high	90.3	Very high	97 Å²	97	56.4 Å²	56.4	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-61.1	-42.2	178.6	-23.7	35.2	0	0	0	112.5	S285 T290 V291	S285-P287 VanDerWaalsContact C-CD 3.42Å; S285-P287 VanDerWaalsContact C-N 3.34Å; P287-T290 PolarHBondContact O-N 3.06Å; P287-V291 WeakPolarHBondContact O-CG2 3.27Å; P287-V291 PolarHBondContact O-N 3.3Å
288	A	90.4	Very high	90.4	Very high	35 Å²	35	58.7 Å²	58.7	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-49.8	179.8	0	0	0	0	0	111.3	L281 S285 V286 T290 V291 F292	L281-A288 HydrophobicContact CD2-CB 3.89Å; S285-A288 PolarHBondContact O-N 3.09Å; S285-A288 VanDerWaalsContact O-N 3.12Å; V286-A288 VanDerWaalsContact C-N 3.34Å; V286-A288 PolarHBondContact O-N 2.91Å; A288-T290 VanDerWaalsContact C-N 3.3Å; A288-T290 PolarHBondContact O-N 3.07Å; A288-V291 PolarHBondContact O-N 3.49Å; A288-F292 VanDerWaalsContact O-CD2 3.24Å; A288-F292 WeakPolarHBondContact O-CD2 3.29Å; A288-F292 PolarHBondContact O-N 2.89Å
289	R	91.2	Very high	90.7	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.011	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-37.9	178.9	-70.3	-177	74.3	164.7	-1	112.4	S278 L281 S285 V286 G293 E337 F338 D444	S278-R289 PolarHBondContact O-NE 2.82Å; L281-R289 HydrophobicContact CB-CG 3.92Å; S285-R289 PolarHBondContact O-N 3.31Å; V286-R289 PolarHBondContact O-N 2.91Å; R289-G293 PolarHBondContact O-N 2.76Å; R289-E337 IonicContact NH2-OE2 2.99Å; R289-E337 PolarHBondContact NH2-OE2 3.44Å; R289-F338 HydrophobicContact CB-CD2 3.55Å; R289-F338 HydrophobicContact CB-CE2 3.45Å; R289-F338 VanDerWaalsContact CB-CE2 3.45Å; R289-F338 HydrophobicContact CB-CG 4.19Å; R289-F338 HydrophobicContact CB-CZ 4.01Å; R289-F338 HydrophobicContact CG-CD2 4.3Å; R289-F338 HydrophobicContact CG-CE2 4.35Å; R289-D444 IonicContact CZ-OD1 3.42Å; R289-D444 IonicContact NH1-OD1 3.01Å; R289-D444 PolarHBondContact NH1-OD1 3.43Å; R289-D444 IonicContact NH1-OD2 3.78Å; R289-D444 IonicContact NH2-OD1 2.87Å; R289-D444 PolarHBondContact NH2-OD1 2.9Å
290	T	91.8	Very high	90.9	Very high	54 Å²	54	61.1 Å²	61.1	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-46.6	176.8	-51.5	0	0	0	0	111.3	V286 P287 A288 G293 V294 F338	V286-T290 WeakPolarHBondContact O-CB 3.46Å; V286-T290 PolarHBondContact O-N 3.25Å; V286-T290 PolarHBondContact O-OG1 3.13Å; P287-T290 PolarHBondContact O-N 3.06Å; A288-T290 VanDerWaalsContact C-N 3.3Å; A288-T290 PolarHBondContact O-N 3.07Å; T290-G293 PolarHBondContact O-N 3.02Å; T290-V294 HydrophobicContact CG2-CG2 4.38Å; T290-V294 WeakPolarHBondContact O-CG2 3.24Å; T290-V294 PolarHBondContact O-N 3.13Å; T290-F338 VanDerWaalsContact OG1-CE1 3.32Å; T290-F338 WeakPolarHBondContact OG1-CE1 3.46Å; T290-F338 WeakPolarHBondContact OG1-CZ 3.45Å
291	V	93.3	Very high	91.2	Very high	90 Å²	90	55.5 Å²	55.5	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-47.8	178.6	172.7	0	0	0	0	110.6	P287 A288 G293 V294 T295	P287-V291 WeakPolarHBondContact O-CG2 3.27Å; P287-V291 PolarHBondContact O-N 3.3Å; A288-V291 PolarHBondContact O-N 3.49Å; V291-G293 VanDerWaalsContact C-N 3.34Å; V291-G293 PolarHBondContact O-N 3.03Å; V291-V294 PolarHBondContact O-N 2.99Å; V291-T295 VanDerWaalsContact O-CB 3.25Å; V291-T295 WeakPolarHBondContact O-CB 3.45Å; V291-T295 PolarHBondContact O-N 3.41Å; V291-T295 PolarHBondContact O-OG1 3.22Å
292	F	89.8	Confident	91.5	Very high	80 Å²	80	57.2 Å²	57.2	35%	0.351	33%	0.329	S	S	.	.	H	α-helix	trans	-57.8	-44.1	176.4	-84.7	-74.3	0	0	0	112.7	L281 A288 T296	L281-F292 HydrophobicContact CD1-CD2 3.91Å; L281-F292 HydrophobicContact CD1-CE2 3.98Å; A288-F292 VanDerWaalsContact O-CD2 3.24Å; A288-F292 WeakPolarHBondContact O-CD2 3.29Å; A288-F292 PolarHBondContact O-N 2.89Å; F292-T296 WeakPolarHBondContact O-CB 3.49Å; F292-T296 VanDerWaalsContact O-CG2 3.25Å; F292-T296 WeakPolarHBondContact O-CG2 3.32Å; F292-T296 PolarHBondContact O-N 3.48Å; F292-T296 PolarHBondContact O-OG1 2.95Å
293	G	91.5	Very high	91.9	Very high	7 Å²	7	55.1 Å²	55.1	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-46.8	178.9	0	0	0	0	0	113.1	R289 T290 V291 T296 V297	R289-G293 PolarHBondContact O-N 2.76Å; T290-G293 PolarHBondContact O-N 3.02Å; V291-G293 VanDerWaalsContact C-N 3.34Å; V291-G293 PolarHBondContact O-N 3.03Å; G293-T296 PolarHBondContact O-OG1 3.39Å; G293-V297 WeakPolarHBondContact O-CG2 3.37Å; G293-V297 PolarHBondContact O-N 3.29Å
294	V	94.2	Very high	92.4	Very high	82 Å²	82	54 Å²	54	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-68.3	-44.1	179.6	173.9	0	0	0	0	111.4	T290 V291 T296 V297 L298	T290-V294 HydrophobicContact CG2-CG2 4.38Å; T290-V294 WeakPolarHBondContact O-CG2 3.24Å; T290-V294 PolarHBondContact O-N 3.13Å; V291-V294 PolarHBondContact O-N 2.99Å; V294-T296 PolarHBondContact O-N 2.9Å; V294-V297 PolarHBondContact O-N 3.01Å; V294-L298 WeakPolarHBondContact O-CB 3.37Å; V294-L298 PolarHBondContact O-N 3.41Å
295	T	95.1	Very high	92.9	Very high	72 Å²	72	51.8 Å²	51.8	44%	0.442	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-42.9	179.5	-61	0	0	0	0	111.3	V291 L298 T299	V291-T295 VanDerWaalsContact O-CB 3.25Å; V291-T295 WeakPolarHBondContact O-CB 3.45Å; V291-T295 PolarHBondContact O-N 3.41Å; V291-T295 PolarHBondContact O-OG1 3.22Å; T295-L298 PolarHBondContact O-N 3.25Å; T295-T299 WeakPolarHBondContact O-CB 3.42Å; T295-T299 PolarHBondContact O-N 2.94Å; T295-T299 PolarHBondContact O-OG1 3.38Å
296	T	95.3	Very high	93	Very high	8 Å²	8	52.9 Å²	52.9	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-39.1	179.4	49.4	0	0	0	0	112.9	T271 L274 F292 G293 V294 M300 V331	T271-T296 HydrophobicContact CG2-CG2 4.4Å; L274-T296 HydrophobicContact CB-CG2 4.22Å; F292-T296 WeakPolarHBondContact O-CB 3.49Å; F292-T296 VanDerWaalsContact O-CG2 3.25Å; F292-T296 WeakPolarHBondContact O-CG2 3.32Å; F292-T296 PolarHBondContact O-N 3.48Å; F292-T296 PolarHBondContact O-OG1 2.95Å; G293-T296 PolarHBondContact O-OG1 3.39Å; V294-T296 PolarHBondContact O-N 2.9Å; T296-M300 WeakPolarHBondContact O-CB 3.45Å; T296-M300 PolarHBondContact O-N 3.06Å; T296-V331 WeakPolarHBondContact OG1-CG1 3.4Å
297	V	95.8	Very high	93.1	Very high	23 Å²	23	51 Å²	51	14%	0.139	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-43.5	173.4	174.2	0	0	0	0	111.3	G293 V294 M300 T301 Y328 V331 L335	G293-V297 WeakPolarHBondContact O-CG2 3.37Å; G293-V297 PolarHBondContact O-N 3.29Å; V294-V297 PolarHBondContact O-N 3.01Å; V297-M300 PolarHBondContact O-N 3.41Å; V297-T301 PolarHBondContact O-N 2.99Å; V297-T301 PolarHBondContact O-OG1 3.37Å; V297-Y328 HydrophobicContact CG1-CE2 4.3Å; V297-V331 HydrophobicContact CB-CG1 4.44Å; V297-V331 HydrophobicContact CG2-CG1 3.7Å; V297-L335 HydrophobicContact CG2-CD2 4.32Å
298	L	95.6	Very high	92.8	Very high	110 Å²	110	52.9 Å²	52.9	58%	0.576	30%	0.301	S	S	*	.	H	α-helix	trans	-62.7	-48.5	177.5	179.6	62.2	0	0	0	111	V294 T295 M300 T301 T302	V294-L298 WeakPolarHBondContact O-CB 3.37Å; V294-L298 PolarHBondContact O-N 3.41Å; T295-L298 PolarHBondContact O-N 3.25Å; L298-M300 VanDerWaalsContact C-N 3.31Å; L298-M300 PolarHBondContact O-N 2.81Å; L298-T301 WeakPolarHBondContact O-CB 3.4Å; L298-T301 PolarHBondContact O-N 2.7Å; L298-T301 VanDerWaalsContact O-N 3.16Å; L298-T302 PolarHBondContact O-N 3.09Å; L298-T302 PolarHBondContact O-OG1 3.31Å; L298-T302 VanDerWaalsContact O-OG1 3.07Å
299	T	95.7	Very high	92.7	Very high	55 Å²	55	57.4 Å²	57.4	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-57.2	-44.7	176.2	-61.1	0	0	0	0	111.2	T271 T295 T301 T302 L303	T271-T299 HydrophobicContact CG2-CG2 4.26Å; T295-T299 WeakPolarHBondContact O-CB 3.42Å; T295-T299 PolarHBondContact O-N 2.94Å; T295-T299 PolarHBondContact O-OG1 3.38Å; T299-T301 VanDerWaalsContact C-N 3.33Å; T299-T301 PolarHBondContact O-N 3.49Å; T299-T302 PolarHBondContact O-N 3.17Å; T299-L303 HydrophobicContact CG2-CD1 4.14Å; T299-L303 HydrophobicContact CG2-CG 4.46Å; T299-L303 WeakPolarHBondContact O-CG 3.4Å; T299-L303 PolarHBondContact O-N 3.13Å
300	M	94.4	Very high	92.2	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-38.5	178.1	-166.7	64.3	-167.3	0	0	112.4	C268 T271 T296 V297 L298 L303 S304 M324 C327 Y328	C268-M300 HydrophobicContact CB-CE 4.43Å; C268-M300 HydrophobicContact CB-SD 4.45Å; T271-M300 HydrophobicContact CG2-CB 4.45Å; T296-M300 WeakPolarHBondContact O-CB 3.45Å; T296-M300 PolarHBondContact O-N 3.06Å; V297-M300 PolarHBondContact O-N 3.41Å; L298-M300 VanDerWaalsContact C-N 3.31Å; L298-M300 PolarHBondContact O-N 2.81Å; M300-L303 PolarHBondContact O-N 3.15Å; M300-S304 WeakPolarHBondContact O-CB 3.45Å; M300-S304 PolarHBondContact O-N 3.3Å; M300-M324 HydrophobicContact CE-CB 4.15Å; M300-M324 HydrophobicContact CE-CE 3.5Å; M300-M324 WeakPolarHBondContact CE-O 3.39Å; M300-M324 HydrophobicContact CE-SD 3.7Å; M300-M324 HydrophobicContact SD-CE 4.28Å; M300-C327 HydrophobicContact CE-CB 3.31Å; M300-C327 HydrophobicContact SD-CB 4.16Å; M300-Y328 HydrophobicContact CB-CD2 4.18Å; M300-Y328 HydrophobicContact CG-CD2 3.73Å; M300-Y328 HydrophobicContact CG-CG 4.41Å
301	T	94.9	Very high	91.9	Very high	50 Å²	50	58.1 Å²	58.1	31%	0.307	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-45.6	175.1	-53.4	0	0	0	0	110.9	V297 L298 T299 S304 I305	V297-T301 PolarHBondContact O-N 2.99Å; V297-T301 PolarHBondContact O-OG1 3.37Å; L298-T301 WeakPolarHBondContact O-CB 3.4Å; L298-T301 PolarHBondContact O-N 2.7Å; L298-T301 VanDerWaalsContact O-N 3.16Å; T299-T301 VanDerWaalsContact C-N 3.33Å; T299-T301 PolarHBondContact O-N 3.49Å; T301-S304 PolarHBondContact O-N 3.24Å; T301-I305 HydrophobicContact CG2-CD1 4.11Å; T301-I305 WeakPolarHBondContact O-CG1 3.27Å; T301-I305 PolarHBondContact O-N 3.25Å
302	T	94.9	Very high	91.8	Very high	82 Å²	82	54.6 Å²	54.6	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-44.8	177.3	-56.7	0	0	0	0	111.9	L298 T299 S304 I305 S306	L298-T302 PolarHBondContact O-N 3.09Å; L298-T302 PolarHBondContact O-OG1 3.31Å; L298-T302 VanDerWaalsContact O-OG1 3.07Å; T299-T302 PolarHBondContact O-N 3.17Å; T302-S304 PolarHBondContact O-N 3.26Å; T302-I305 PolarHBondContact O-N 3.42Å; T302-S306 WeakPolarHBondContact O-CB 3.37Å; T302-S306 PolarHBondContact O-N 2.7Å
303	L	93.4	Very high	91.7	Very high	37 Å²	37	61.1 Å²	61.1	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-41.7	176.5	-72.1	173.5	0	0	0	111.8	P267 T299 M300 S306 A307 M324	P267-L303 HydrophobicContact CB-CD1 3.94Å; P267-L303 HydrophobicContact CB-CD2 4.1Å; T299-L303 HydrophobicContact CG2-CD1 4.14Å; T299-L303 HydrophobicContact CG2-CG 4.46Å; T299-L303 WeakPolarHBondContact O-CG 3.4Å; T299-L303 PolarHBondContact O-N 3.13Å; M300-L303 PolarHBondContact O-N 3.15Å; L303-S306 PolarHBondContact O-N 3.28Å; L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 2.85Å; L303-M324 HydrophobicContact CB-CE 3.97Å
304	S	91.8	Very high	91.7	Very high	24 Å²	24	63 Å²	63	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-40.3	176.8	174.5	0	0	0	0	113	M300 T301 T302 R308	M300-S304 WeakPolarHBondContact O-CB 3.45Å; M300-S304 PolarHBondContact O-N 3.3Å; T301-S304 PolarHBondContact O-N 3.24Å; T302-S304 PolarHBondContact O-N 3.26Å; S304-R308 WeakPolarHBondContact O-CG 3.49Å; S304-R308 PolarHBondContact O-N 3.31Å; S304-R308 PolarHBondContact O-NE 3.2Å; S304-R308 PolarHBondContact OG-NH2 2.89Å; S304-R308 VanDerWaalsContact OG-NH2 3.13Å
305	I	92.1	Very high	91.6	Very high	83 Å²	83	64.5 Å²	64.5	43%	0.426	36%	0.364	S	S	.	.	H	α-helix	trans	-67.9	-46	176.3	-66.5	166.1	0	0	0	110.1	T301 T302 A307 R308 N309	T301-I305 HydrophobicContact CG2-CD1 4.11Å; T301-I305 WeakPolarHBondContact O-CG1 3.27Å; T301-I305 PolarHBondContact O-N 3.25Å; T302-I305 PolarHBondContact O-N 3.42Å; I305-A307 VanDerWaalsContact C-N 3.33Å; I305-A307 PolarHBondContact O-N 3.4Å; I305-R308 PolarHBondContact O-N 2.94Å; I305-N309 PolarHBondContact O-N 3.45Å; I305-N309 VanDerWaalsContact O-N 3.11Å
306	S	91.3	Very high	91.5	Very high	71 Å²	71	64.8 Å²	64.8	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-43.2	179.1	-172	0	0	0	0	112.1	T302 L303 N309	T302-S306 WeakPolarHBondContact O-CB 3.37Å; T302-S306 PolarHBondContact O-N 2.7Å; L303-S306 PolarHBondContact O-N 3.28Å; S306-N309 PolarHBondContact O-N 2.73Å
307	A	89.6	Confident	91.4	Very high	7 Å²	7	66.9 Å²	66.9	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-63.9	-42.1	178.9	0	0	0	0	0	111.7	T264 L303 I305 N309 S310 M320	T264-A307 HydrophobicContact CG2-CB 4.22Å; L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 2.85Å; I305-A307 VanDerWaalsContact C-N 3.33Å; I305-A307 PolarHBondContact O-N 3.4Å; A307-N309 VanDerWaalsContact C-N 3.34Å; A307-N309 PolarHBondContact O-N 3.38Å; A307-S310 PolarHBondContact O-N 3.33Å; A307-S310 PolarHBondContact O-OG 2.95Å; A307-M320 HydrophobicContact CB-CE 3.81Å; A307-M320 HydrophobicContact CB-SD 4.29Å
308	R	86.6	Confident	91.3	Very high	135 Å²	135	65.9 Å²	65.9	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-69.1	-27.5	179.7	-75.6	-175.3	-73.3	-172.4	-3.7	114.2	S304 I305 S310 L311	S304-R308 WeakPolarHBondContact O-CG 3.49Å; S304-R308 PolarHBondContact O-N 3.31Å; S304-R308 PolarHBondContact O-NE 3.2Å; S304-R308 PolarHBondContact OG-NH2 2.89Å; S304-R308 VanDerWaalsContact OG-NH2 3.13Å; I305-R308 PolarHBondContact O-N 2.94Å; R308-S310 PolarHBondContact O-N 3.44Å; R308-L311 PolarHBondContact O-N 2.95Å
309	N	87.6	Confident	91.2	Very high	130 Å²	130	60.7 Å²	60.7	70%	0.695	34%	0.343	S	S	*	.	H	α-helix	trans	-68	-19.8	176	-71.5	-18	0	0	0	113.2	I305 S306 A307 L311	I305-N309 PolarHBondContact O-N 3.45Å; I305-N309 VanDerWaalsContact O-N 3.11Å; S306-N309 PolarHBondContact O-N 2.73Å; A307-N309 VanDerWaalsContact C-N 3.34Å; A307-N309 PolarHBondContact O-N 3.38Å; N309-L311 VanDerWaalsContact C-N 3.35Å
310	S	81.5	Confident	91.1	Very high	53 Å²	53	58.1 Å²	58.1	37%	0.371	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.1	178.2	69.4	0	0	0	0	114	A307 R308	A307-S310 PolarHBondContact O-N 3.33Å; A307-S310 PolarHBondContact O-OG 2.95Å; R308-S310 PolarHBondContact O-N 3.44Å
311	L	85.8	Confident	91.1	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.099	34%	0.336	C	S	.	.	S	Bend	trans	-117.6	148.7	-174.1	-73	165.2	0	0	0	111.2	F180 R308 N309 M320	F180-L311 HydrophobicContact CD1-CD1 3.95Å; F180-L311 HydrophobicContact CD1-CD2 3.93Å; F180-L311 HydrophobicContact CD2-CD2 3.73Å; F180-L311 HydrophobicContact CE1-CD1 3.61Å; F180-L311 HydrophobicContact CE1-CD2 3.52Å; F180-L311 HydrophobicContact CE1-CG 4.01Å; F180-L311 HydrophobicContact CE2-CD2 3.26Å; F180-L311 HydrophobicContact CE2-CG 4.49Å; F180-L311 HydrophobicContact CG-CD2 4.02Å; F180-L311 HydrophobicContact CZ-CD1 4.09Å; F180-L311 HydrophobicContact CZ-CD2 3.14Å; F180-L311 HydrophobicContact CZ-CG 3.95Å; R308-L311 PolarHBondContact O-N 2.95Å; N309-L311 VanDerWaalsContact C-N 3.35Å; L311-M320 HydrophobicContact CD1-CE 3.41Å; L311-M320 VanDerWaalsContact CD1-CE 3.41Å
312	P	90.6	Very high	91.1	Very high	17 Å²	17	64.9 Å²	64.9	11%	0.11	35%	0.35	C	S	.	.			trans	-59.9	152.8	166.2	29.1	-37	0	0	0	110.6	D89 M92 L177 V314	D89-P312 VanDerWaalsContact O-CG 3.23Å; D89-P312 WeakPolarHBondContact O-CG 3.48Å; M92-P312 HydrophobicContact CE-CB 4.42Å; M92-P312 HydrophobicContact CE-CG 4.39Å; L177-P312 HydrophobicContact CD1-CG 3.41Å; L177-P312 VanDerWaalsContact CD1-CG 3.41Å; P312-V314 PolarHBondContact O-N 3.39Å; P312-V314 VanDerWaalsContact O-N 3.13Å
313	K	89	Confident	91.2	Very high	217 Å²	217	61 Å²	61	94%	0.943	33%	0.326	S	S	*	.			trans	-73.8	106.1	175.3	-63.4	178.9	-176.3	175.8	0	109.3
314	V	91.1	Very high	91.3	Very high	45 Å²	45	59.6 Å²	59.6	27%	0.273	32%	0.318	S	S	.	.			trans	-107.2	150.6	173	-66.8	0	0	0	0	110.7	M92 L177 P312 Y316 T318	M92-V314 HydrophobicContact CE-CG1 4.46Å; L177-V314 HydrophobicContact CD1-CG1 4.07Å; P312-V314 PolarHBondContact O-N 3.39Å; P312-V314 VanDerWaalsContact O-N 3.13Å; V314-Y316 HydrophobicContact CB-CD1 4.46Å; V314-Y316 HydrophobicContact CB-CD2 4.42Å; V314-Y316 HydrophobicContact CB-CE1 4.12Å; V314-Y316 HydrophobicContact CB-CE2 4.08Å; V314-Y316 HydrophobicContact CG1-CE1 4.4Å; V314-Y316 HydrophobicContact CG1-CE2 4.39Å; V314-Y316 HydrophobicContact CG2-CD2 4.23Å; V314-Y316 HydrophobicContact CG2-CE2 4.02Å; V314-Y316 WeakPolarHBondContact CG2-O 3.36Å; V314-T318 HydrophobicContact CG2-CG2 4.34Å
315	A	92.1	Very high	91.5	Very high	114 Å²	114	61 Å²	61	94%	0.942	33%	0.331	S	S	*	.	S	Bend	trans	-80.4	-18.5	-178.2	0	0	0	0	0	113.6
316	Y	93.3	Very high	91.7	Very high	79 Å²	79	58.9 Å²	58.9	31%	0.31	32%	0.322	S	S	.	.	S	Bend	trans	-101	158.7	-179.9	51.2	-99.1	0	0	0	111.5	L177 E178 V314	L177-Y316 HydrophobicContact CB-CE2 4.1Å; L177-Y316 PolarHBondContact N-OH 2.75Å; E178-Y316 HydrophobicContact CG-CD2 3.91Å; E178-Y316 HydrophobicContact CG-CE2 3.88Å; E178-Y316 HydrophobicContact CG-CG 4.49Å; V314-Y316 HydrophobicContact CB-CD1 4.46Å; V314-Y316 HydrophobicContact CB-CD2 4.42Å; V314-Y316 HydrophobicContact CB-CE1 4.12Å; V314-Y316 HydrophobicContact CB-CE2 4.08Å; V314-Y316 HydrophobicContact CG1-CE1 4.4Å; V314-Y316 HydrophobicContact CG1-CE2 4.39Å; V314-Y316 HydrophobicContact CG2-CD2 4.23Å; V314-Y316 HydrophobicContact CG2-CE2 4.02Å; V314-Y316 WeakPolarHBondContact CG2-O 3.36Å
317	A	92.1	Very high	92	Very high	52 Å²	52	55.5 Å²	55.5	43%	0.43	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-81.1	135.6	176.8	0	0	0	0	0	111.2	D321	A317-D321 HydrophobicContact CB-CB 4.48Å
318	T	94.2	Very high	92.3	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.012	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-84.7	161.9	175.7	67	0	0	0	0	111.8	L177 E178 F180 V314 M320 D321 W322	L177-T318 WeakPolarHBondContact O-CG2 3.35Å; E178-T318 CarbonylContact O-C 3.6Å; F180-T318 HydrophobicContact CB-CG2 4.21Å; V314-T318 HydrophobicContact CG2-CG2 4.34Å; T318-M320 PolarHBondContact O-N 3.43Å; T318-D321 WeakPolarHBondContact CB-OD2 3.39Å; T318-D321 PolarHBondContact N-OD2 3.4Å; T318-D321 WeakPolarHBondContact O-CB 3.49Å; T318-D321 PolarHBondContact O-N 3.11Å; T318-D321 PolarHBondContact OG1-N 3.05Å; T318-D321 VanDerWaalsContact OG1-N 3.09Å; T318-D321 PolarHBondContact OG1-OD2 3.49Å; T318-W322 VanDerWaalsContact O-CD1 3.3Å; T318-W322 PolarHBondContact O-N 2.87Å; T318-W322 VanDerWaalsContact O-N 3.13Å
319	A	93.8	Very high	92.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-35.3	172.3	0	0	0	0	0	112.6	E178 F180 F323 Y462 Y466	E178-A319 PolarHBondContact O-N 3.45Å; F180-A319 WeakPolarHBondContact O-CB 3.3Å; A319-F323 PolarHBondContact O-N 3.06Å; A319-Y462 WeakPolarHBondContact O-CE2 3.32Å; A319-Y462 PolarHBondContact O-OH 3.29Å; A319-Y466 HydrophobicContact CB-CD1 3.68Å; A319-Y466 HydrophobicContact CB-CD2 4.35Å; A319-Y466 HydrophobicContact CB-CE1 3.26Å; A319-Y466 HydrophobicContact CB-CE2 3.99Å; A319-Y466 HydrophobicContact CB-CG 4.21Å; A319-Y466 VanDerWaalsContact CB-CZ 3.42Å
320	M	93.5	Very high	93.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-42.7	172.4	-172.5	-176.1	68.8	0	0	111.8	F180 T264 A307 L311 T318 W322 F323 M324	F180-M320 HydrophobicContact CD1-CB 4.13Å; F180-M320 HydrophobicContact CD1-CE 4.31Å; F180-M320 HydrophobicContact CD1-SD 4.36Å; F180-M320 HydrophobicContact CE1-CB 4.48Å; F180-M320 HydrophobicContact CE1-CE 3.89Å; F180-M320 HydrophobicContact CE1-SD 3.8Å; F180-M320 PolarHBondContact O-N 3.28Å; F180-M320 VanDerWaalsContact O-N 3.11Å; T264-M320 HydrophobicContact CG2-CG 4.33Å; T264-M320 HydrophobicContact CG2-SD 3.96Å; A307-M320 HydrophobicContact CB-CE 3.81Å; A307-M320 HydrophobicContact CB-SD 4.29Å; L311-M320 HydrophobicContact CD1-CE 3.41Å; L311-M320 VanDerWaalsContact CD1-CE 3.41Å; T318-M320 PolarHBondContact O-N 3.43Å; M320-W322 VanDerWaalsContact C-N 3.32Å; M320-W322 PolarHBondContact O-N 3.16Å; M320-F323 WeakPolarHBondContact O-CB 3.34Å; M320-F323 PolarHBondContact O-N 2.98Å; M320-F323 VanDerWaalsContact O-N 3.17Å; M320-M324 HydrophobicContact CG-CG 4.45Å; M320-M324 VanDerWaalsContact O-CG 3.3Å; M320-M324 WeakPolarHBondContact O-CG 3.3Å; M320-M324 PolarHBondContact O-N 3.49Å
321	D	94.3	Very high	93.9	Very high	39 Å²	39	48.4 Å²	48.4	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-40.4	178.4	-66.8	-48.1	0	0	0	112	A317 T318 F323 M324 A325	A317-D321 HydrophobicContact CB-CB 4.48Å; T318-D321 WeakPolarHBondContact CB-OD2 3.39Å; T318-D321 PolarHBondContact N-OD2 3.4Å; T318-D321 WeakPolarHBondContact O-CB 3.49Å; T318-D321 PolarHBondContact O-N 3.11Å; T318-D321 PolarHBondContact OG1-N 3.05Å; T318-D321 VanDerWaalsContact OG1-N 3.09Å; T318-D321 PolarHBondContact OG1-OD2 3.49Å; D321-F323 PolarHBondContact O-N 3.13Å; D321-M324 PolarHBondContact O-N 3.35Å; D321-A325 VanDerWaalsContact O-CB 3.3Å; D321-A325 WeakPolarHBondContact O-CB 3.43Å; D321-A325 PolarHBondContact O-N 2.96Å
322	W	95.3	Very high	94.3	Very high	156 Å²	156	52 Å²	52	59%	0.591	28%	0.28	S	S	*	.	H	α-helix	trans	-62	-41.9	174.4	-76.9	108.8	0	0	0	112.3	T318 M320 A325 V326	T318-W322 VanDerWaalsContact O-CD1 3.3Å; T318-W322 PolarHBondContact O-N 2.87Å; T318-W322 VanDerWaalsContact O-N 3.13Å; M320-W322 VanDerWaalsContact C-N 3.32Å; M320-W322 PolarHBondContact O-N 3.16Å; W322-A325 PolarHBondContact O-N 3.43Å; W322-V326 WeakPolarHBondContact O-CG2 3.38Å; W322-V326 PolarHBondContact O-N 3.29Å
323	F	96.3	Very high	94.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-46.4	174.9	-174.1	-92.5	0	0	0	111.9	Y265 C268 I269 A319 M320 D321 V326 C327 F458 N459 Y462	Y265-F323 AromaticContact CD1-CD1 3.53Å; Y265-F323 HydrophobicContact CD1-CD1 3.53Å; Y265-F323 HydrophobicContact CD1-CD2 4.09Å; Y265-F323 AromaticContact CD1-CE1 3.51Å; Y265-F323 HydrophobicContact CD1-CE1 3.51Å; Y265-F323 HydrophobicContact CD1-CE2 4.07Å; Y265-F323 AromaticContact CD1-CG 3.84Å; Y265-F323 HydrophobicContact CD1-CG 3.84Å; Y265-F323 AromaticContact CD1-CZ 3.79Å; Y265-F323 HydrophobicContact CD1-CZ 3.79Å; Y265-F323 HydrophobicContact CE1-CB 3.97Å; Y265-F323 AromaticContact CE1-CD1 3.67Å; Y265-F323 HydrophobicContact CE1-CD1 3.67Å; Y265-F323 AromaticContact CE1-CD2 3.95Å; Y265-F323 HydrophobicContact CE1-CD2 3.95Å; Y265-F323 HydrophobicContact CE1-CE1 4.13Å; Y265-F323 HydrophobicContact CE1-CE2 4.38Å; Y265-F323 AromaticContact CE1-CG 3.58Å; Y265-F323 HydrophobicContact CE1-CG 3.58Å; Y265-F323 HydrophobicContact CE1-CZ 4.47Å; Y265-F323 HydrophobicContact CG-CE1 4.46Å; C268-F323 HydrophobicContact CB-CE1 4.09Å; I269-F323 HydrophobicContact CD1-CZ 4.31Å; I269-F323 HydrophobicContact CG1-CZ 3.96Å; A319-F323 PolarHBondContact O-N 3.06Å; M320-F323 WeakPolarHBondContact O-CB 3.34Å; M320-F323 PolarHBondContact O-N 2.98Å; M320-F323 VanDerWaalsContact O-N 3.17Å; D321-F323 PolarHBondContact O-N 3.13Å; F323-V326 PolarHBondContact O-N 2.92Å; F323-C327 WeakPolarHBondContact CE1-SG 3.43Å; F323-C327 WeakPolarHBondContact O-CB 3.39Å; F323-C327 PolarHBondContact O-N 3Å; F323-C327 PolarHBondContact O-SG 3.35Å; F323-F458 AromaticContact CD2-CE1 3.7Å; F323-F458 HydrophobicContact CD2-CE1 3.7Å; F323-F458 AromaticContact CD2-CZ 3.9Å; F323-F458 HydrophobicContact CD2-CZ 3.9Å; F323-F458 AromaticContact CE2-CE1 3.77Å; F323-F458 HydrophobicContact CE2-CE1 3.77Å; F323-F458 HydrophobicContact CE2-CZ 4.42Å; F323-N459 WeakPolarHBondContact CE2-OD1 3.46Å; F323-Y462 HydrophobicContact CB-CD2 4.38Å; F323-Y462 HydrophobicContact CB-CE1 4.39Å; F323-Y462 HydrophobicContact CB-CE2 3.76Å; F323-Y462 AromaticContact CD2-CD1 3.73Å; F323-Y462 HydrophobicContact CD2-CD1 3.73Å; F323-Y462 HydrophobicContact CD2-CD2 4.06Å; F323-Y462 AromaticContact CD2-CE1 3.79Å; F323-Y462 HydrophobicContact CD2-CE1 3.79Å; F323-Y462 HydrophobicContact CD2-CE2 4.11Å; F323-Y462 AromaticContact CD2-CG 3.88Å; F323-Y462 HydrophobicContact CD2-CG 3.88Å; F323-Y462 AromaticContact CD2-CZ 3.99Å; F323-Y462 HydrophobicContact CE2-CD1 4.22Å; F323-Y462 HydrophobicContact CG-CE1 4.36Å; F323-Y462 HydrophobicContact CG-CE2 4.41Å
324	M	94.8	Very high	94.8	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.034	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-42	177.5	-67.7	-61.6	-75.9	0	0	111.9	T264 C268 M300 L303 M320 D321 V326 C327 Y328	T264-M324 HydrophobicContact CG2-SD 3.95Å; C268-M324 HydrophobicContact CB-SD 4.19Å; C268-M324 WeakPolarHBondContact SG-CE 3.28Å; C268-M324 PolarHBondContact SG-SD 3.16Å; M300-M324 HydrophobicContact CE-CB 4.15Å; M300-M324 HydrophobicContact CE-CE 3.5Å; M300-M324 WeakPolarHBondContact CE-O 3.39Å; M300-M324 HydrophobicContact CE-SD 3.7Å; M300-M324 HydrophobicContact SD-CE 4.28Å; L303-M324 HydrophobicContact CB-CE 3.97Å; M320-M324 HydrophobicContact CG-CG 4.45Å; M320-M324 VanDerWaalsContact O-CG 3.3Å; M320-M324 WeakPolarHBondContact O-CG 3.3Å; M320-M324 PolarHBondContact O-N 3.49Å; D321-M324 PolarHBondContact O-N 3.35Å; M324-V326 PolarHBondContact O-N 3.35Å; M324-C327 PolarHBondContact O-N 3.13Å; M324-Y328 WeakPolarHBondContact O-CB 3.3Å; M324-Y328 PolarHBondContact O-N 2.85Å
325	A	95.9	Very high	94.9	Very high	54 Å²	54	43.3 Å²	43.3	45%	0.446	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-42.6	178.7	0	0	0	0	0	111.8	D321 W322 Y328 A329	D321-A325 VanDerWaalsContact O-CB 3.3Å; D321-A325 WeakPolarHBondContact O-CB 3.43Å; D321-A325 PolarHBondContact O-N 2.96Å; W322-A325 PolarHBondContact O-N 3.43Å; A325-Y328 WeakPolarHBondContact O-CB 3.41Å; A325-Y328 PolarHBondContact O-N 3.08Å; A325-A329 PolarHBondContact O-N 3.27Å
326	V	96.9	Very high	94.9	Very high	39 Å²	39	42 Å²	42	24%	0.236	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-44.3	176.5	174.2	0	0	0	0	111.2	W322 F323 M324 Y328 A329 F330 F458	W322-V326 WeakPolarHBondContact O-CG2 3.38Å; W322-V326 PolarHBondContact O-N 3.29Å; F323-V326 PolarHBondContact O-N 2.92Å; M324-V326 PolarHBondContact O-N 3.35Å; V326-Y328 VanDerWaalsContact C-N 3.27Å; V326-Y328 PolarHBondContact O-N 3.07Å; V326-A329 WeakPolarHBondContact O-CB 3.43Å; V326-A329 PolarHBondContact O-N 2.9Å; V326-A329 VanDerWaalsContact O-N 3.13Å; V326-F330 HydrophobicContact CG1-CD2 3.76Å; V326-F330 HydrophobicContact CG1-CE2 3.59Å; V326-F330 VanDerWaalsContact O-CD2 3.29Å; V326-F330 WeakPolarHBondContact O-CD2 3.17Å; V326-F330 PolarHBondContact O-N 3.38Å; V326-F458 HydrophobicContact CB-CD2 4.43Å; V326-F458 HydrophobicContact CB-CE1 3.96Å; V326-F458 HydrophobicContact CB-CE2 3.82Å; V326-F458 HydrophobicContact CB-CZ 3.55Å; V326-F458 HydrophobicContact CG1-CD1 3.77Å; V326-F458 HydrophobicContact CG1-CD2 3.76Å; V326-F458 HydrophobicContact CG1-CE1 3.65Å; V326-F458 HydrophobicContact CG1-CE2 3.65Å; V326-F458 HydrophobicContact CG1-CG 3.82Å; V326-F458 HydrophobicContact CG1-CZ 3.59Å; V326-F458 HydrophobicContact CG2-CD2 4.4Å; V326-F458 HydrophobicContact CG2-CE2 3.69Å; V326-F458 HydrophobicContact CG2-CZ 3.87Å
327	C	97.1	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-41.2	174.3	-70.2	0	0	0	0	111.6	V272 M300 F323 M324 F330 V331	V272-C327 HydrophobicContact CG2-CB 3.74Å; M300-C327 HydrophobicContact CE-CB 3.31Å; M300-C327 HydrophobicContact SD-CB 4.16Å; F323-C327 WeakPolarHBondContact CE1-SG 3.43Å; F323-C327 WeakPolarHBondContact O-CB 3.39Å; F323-C327 PolarHBondContact O-N 3Å; F323-C327 PolarHBondContact O-SG 3.35Å; M324-C327 PolarHBondContact O-N 3.13Å; C327-F330 PolarHBondContact O-N 2.99Å; C327-V331 WeakPolarHBondContact O-CG2 3.44Å; C327-V331 PolarHBondContact O-N 3.35Å; C327-V331 VanDerWaalsContact O-N 3.07Å
328	Y	95.9	Very high	94.9	Very high	95 Å²	95	37.3 Å²	37.3	37%	0.373	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-43.9	174.9	-169	-86.4	0	0	0	111.6	V297 M300 M324 A325 V326 F330 V331 F332	V297-Y328 HydrophobicContact CG1-CE2 4.3Å; M300-Y328 HydrophobicContact CB-CD2 4.18Å; M300-Y328 HydrophobicContact CG-CD2 3.73Å; M300-Y328 HydrophobicContact CG-CG 4.41Å; M324-Y328 WeakPolarHBondContact O-CB 3.3Å; M324-Y328 PolarHBondContact O-N 2.85Å; A325-Y328 WeakPolarHBondContact O-CB 3.41Å; A325-Y328 PolarHBondContact O-N 3.08Å; V326-Y328 VanDerWaalsContact C-N 3.27Å; V326-Y328 PolarHBondContact O-N 3.07Å; Y328-F330 VanDerWaalsContact C-N 3.34Å; Y328-F330 PolarHBondContact O-N 3.18Å; Y328-V331 PolarHBondContact O-N 3.27Å; Y328-F332 VanDerWaalsContact O-CB 3.29Å; Y328-F332 WeakPolarHBondContact O-CB 3.29Å; Y328-F332 PolarHBondContact O-N 3.16Å
329	A	96.8	Very high	94.7	Very high	48 Å²	48	39.8 Å²	39.8	40%	0.397	21%	0.214	S	C	.	.	H	α-helix	trans	-61.1	-39.9	176	0	0	0	0	0	112.4	A325 V326 S333	A325-A329 PolarHBondContact O-N 3.27Å; V326-A329 WeakPolarHBondContact O-CB 3.43Å; V326-A329 PolarHBondContact O-N 2.9Å; V326-A329 VanDerWaalsContact O-N 3.13Å; A329-S333 WeakPolarHBondContact O-CB 3.46Å; A329-S333 PolarHBondContact O-N 3.05Å; A329-S333 PolarHBondContact O-OG 3.16Å
330	F	96.7	Very high	94.5	Very high	30 Å²	30	42.4 Å²	42.4	13%	0.132	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-47	175.6	-86.7	-76.4	0	0	0	112.6	V272 V326 C327 Y328 S333 A334 F451 L454 F455	V272-F330 HydrophobicContact CG1-CB 4.14Å; V326-F330 HydrophobicContact CG1-CD2 3.76Å; V326-F330 HydrophobicContact CG1-CE2 3.59Å; V326-F330 VanDerWaalsContact O-CD2 3.29Å; V326-F330 WeakPolarHBondContact O-CD2 3.17Å; V326-F330 PolarHBondContact O-N 3.38Å; C327-F330 PolarHBondContact O-N 2.99Å; Y328-F330 VanDerWaalsContact C-N 3.34Å; Y328-F330 PolarHBondContact O-N 3.18Å; F330-S333 PolarHBondContact O-N 3.19Å; F330-A334 PolarHBondContact O-N 3.21Å; F330-F451 HydrophobicContact CD1-CD1 4.07Å; F330-L454 HydrophobicContact CE1-CB 3.95Å; F330-L454 HydrophobicContact CZ-CB 3.93Å; F330-F455 AromaticContact CD2-CD2 3.79Å; F330-F455 HydrophobicContact CD2-CD2 3.79Å; F330-F455 HydrophobicContact CD2-CE2 4.45Å; F330-F455 HydrophobicContact CE1-CB 4.19Å; F330-F455 HydrophobicContact CE2-CB 4.43Å; F330-F455 AromaticContact CE2-CD2 3.85Å; F330-F455 HydrophobicContact CE2-CD2 3.85Å; F330-F455 HydrophobicContact CG-CD2 4.3Å; F330-F455 HydrophobicContact CZ-CB 4.13Å; F330-F455 HydrophobicContact CZ-CD2 4.39Å
331	V	96.4	Very high	94.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-44.8	178	174.2	0	0	0	0	110.6	T271 V272 T296 V297 C327 Y328 S333 A334 L335	T271-V331 HydrophobicContact CG2-CG2 4.39Å; V272-V331 HydrophobicContact CG2-CG2 4.05Å; T296-V331 WeakPolarHBondContact OG1-CG1 3.4Å; V297-V331 HydrophobicContact CB-CG1 4.44Å; V297-V331 HydrophobicContact CG2-CG1 3.7Å; C327-V331 WeakPolarHBondContact O-CG2 3.44Å; C327-V331 PolarHBondContact O-N 3.35Å; C327-V331 VanDerWaalsContact O-N 3.07Å; Y328-V331 PolarHBondContact O-N 3.27Å; V331-S333 VanDerWaalsContact C-N 3.35Å; V331-S333 PolarHBondContact O-N 2.67Å; V331-A334 WeakPolarHBondContact O-CB 3.11Å; V331-A334 PolarHBondContact O-N 2.99Å; V331-L335 PolarHBondContact O-N 3.02Å
332	F	95.5	Very high	94	Very high	95 Å²	95	43.3 Å²	43.3	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-38.2	177.7	-165.9	-106	0	0	0	112.1	Y328 A334 L335 I336	Y328-F332 VanDerWaalsContact O-CB 3.29Å; Y328-F332 WeakPolarHBondContact O-CB 3.29Å; Y328-F332 PolarHBondContact O-N 3.16Å; F332-A334 VanDerWaalsContact C-N 3.31Å; F332-A334 PolarHBondContact O-N 3.38Å; F332-L335 WeakPolarHBondContact O-CB 3.44Å; F332-L335 PolarHBondContact O-N 3.47Å; F332-L335 VanDerWaalsContact O-N 3.16Å; F332-I336 HydrophobicContact CD1-CD1 3.68Å; F332-I336 HydrophobicContact CD1-CG1 4.29Å; F332-I336 HydrophobicContact CE1-CD1 3.6Å; F332-I336 HydrophobicContact CE1-CG1 4.17Å; F332-I336 WeakPolarHBondContact O-CG1 3.47Å; F332-I336 PolarHBondContact O-N 3.39Å
333	S	94.9	Very high	93.6	Very high	51 Å²	51	42.3 Å²	42.3	36%	0.357	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-35.2	175.1	-61.6	0	0	0	0	112.2	A329 F330 V331 L335 I336 E337	A329-S333 WeakPolarHBondContact O-CB 3.46Å; A329-S333 PolarHBondContact O-N 3.05Å; A329-S333 PolarHBondContact O-OG 3.16Å; F330-S333 PolarHBondContact O-N 3.19Å; V331-S333 VanDerWaalsContact C-N 3.35Å; V331-S333 PolarHBondContact O-N 2.67Å; S333-L335 VanDerWaalsContact C-N 3.34Å; S333-I336 PolarHBondContact O-N 3.37Å; S333-E337 WeakPolarHBondContact O-CB 3.34Å; S333-E337 PolarHBondContact O-N 2.63Å
334	A	93.3	Very high	93.1	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-36.2	173.4	0	0	0	0	0	112.1	F279 F330 V331 F332 E337 F338 F451	F279-A334 HydrophobicContact CE1-CB 4.1Å; F279-A334 HydrophobicContact CZ-CB 3.75Å; F330-A334 PolarHBondContact O-N 3.21Å; V331-A334 WeakPolarHBondContact O-CB 3.11Å; V331-A334 PolarHBondContact O-N 2.99Å; F332-A334 VanDerWaalsContact C-N 3.31Å; F332-A334 PolarHBondContact O-N 3.38Å; A334-E337 WeakPolarHBondContact O-CB 3.22Å; A334-E337 PolarHBondContact O-N 2.94Å; A334-F338 PolarHBondContact O-N 3.39Å; A334-F451 HydrophobicContact CB-CE1 4.38Å
335	L	93.1	Very high	92.6	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.225	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-42	173.8	-176.6	67.4	0	0	0	112	V297 V331 F332 S333 E337 F338 A339	V297-L335 HydrophobicContact CG2-CD2 4.32Å; V331-L335 PolarHBondContact O-N 3.02Å; F332-L335 WeakPolarHBondContact O-CB 3.44Å; F332-L335 PolarHBondContact O-N 3.47Å; F332-L335 VanDerWaalsContact O-N 3.16Å; S333-L335 VanDerWaalsContact C-N 3.34Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-F338 HydrophobicContact CD1-CD1 4.34Å; L335-F338 PolarHBondContact O-N 2.94Å; L335-A339 PolarHBondContact O-N 2.94Å
336	I	93.6	Very high	91.9	Very high	85 Å²	85	52.7 Å²	52.7	44%	0.436	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-41.3	174.8	-68	171.1	0	0	0	110.8	F332 S333 A339 T340	F332-I336 HydrophobicContact CD1-CD1 3.68Å; F332-I336 HydrophobicContact CD1-CG1 4.29Å; F332-I336 HydrophobicContact CE1-CD1 3.6Å; F332-I336 HydrophobicContact CE1-CG1 4.17Å; F332-I336 WeakPolarHBondContact O-CG1 3.47Å; F332-I336 PolarHBondContact O-N 3.39Å; S333-I336 PolarHBondContact O-N 3.37Å; I336-A339 PolarHBondContact O-N 3.33Å; I336-T340 WeakPolarHBondContact O-CB 3.31Å; I336-T340 PolarHBondContact O-N 3.5Å; I336-T340 PolarHBondContact O-OG1 3.2Å
337	E	93.1	Very high	91	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-49.6	175.9	-170	-83	174.4	0	0	110.7	F279 R289 S333 A334 L335 A339 T340 V341 V443 S447	F279-E337 WeakPolarHBondContact CD1-OE2 3.24Å; F279-E337 HydrophobicContact CE1-CB 4.1Å; F279-E337 HydrophobicContact CE1-CG 3.93Å; F279-E337 WeakPolarHBondContact CE1-OE2 3.4Å; R289-E337 IonicContact NH2-OE2 2.99Å; R289-E337 PolarHBondContact NH2-OE2 3.44Å; S333-E337 WeakPolarHBondContact O-CB 3.34Å; S333-E337 PolarHBondContact O-N 2.63Å; A334-E337 WeakPolarHBondContact O-CB 3.22Å; A334-E337 PolarHBondContact O-N 2.94Å; L335-E337 VanDerWaalsContact C-N 3.33Å; E337-A339 PolarHBondContact O-N 2.91Å; E337-T340 WeakPolarHBondContact O-CB 3.43Å; E337-T340 PolarHBondContact O-N 3.27Å; E337-T340 VanDerWaalsContact O-N 3.14Å; E337-V341 WeakPolarHBondContact O-CG2 3.35Å; E337-V341 PolarHBondContact O-N 2.98Å; E337-V341 WeakPolarHBondContact OE1-CG2 3.47Å; E337-V443 HydrophobicContact CG-CG1 4.4Å; E337-S447 WeakPolarHBondContact CG-OG 3.48Å; E337-S447 PolarHBondContact OE1-OG 3.43Å
338	F	90.9	Very high	89.9	Confident	18 Å²	18	57 Å²	57	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-46.6	175.9	162.2	-113.1	0	0	0	112.2	V286 R289 T290 A334 L335 T340 V341 N342	V286-F338 HydrophobicContact CG1-CE2 4.33Å; V286-F338 HydrophobicContact CG1-CZ 3.86Å; R289-F338 HydrophobicContact CB-CD2 3.55Å; R289-F338 HydrophobicContact CB-CE2 3.45Å; R289-F338 VanDerWaalsContact CB-CE2 3.45Å; R289-F338 HydrophobicContact CB-CG 4.19Å; R289-F338 HydrophobicContact CB-CZ 4.01Å; R289-F338 HydrophobicContact CG-CD2 4.3Å; R289-F338 HydrophobicContact CG-CE2 4.35Å; T290-F338 VanDerWaalsContact OG1-CE1 3.32Å; T290-F338 WeakPolarHBondContact OG1-CE1 3.46Å; T290-F338 WeakPolarHBondContact OG1-CZ 3.45Å; A334-F338 PolarHBondContact O-N 3.39Å; L335-F338 HydrophobicContact CD1-CD1 4.34Å; L335-F338 PolarHBondContact O-N 2.94Å; F338-T340 PolarHBondContact O-N 3.33Å; F338-V341 PolarHBondContact O-N 3.11Å; F338-N342 HydrophobicContact CE2-CB 4.29Å; F338-N342 WeakPolarHBondContact O-CB 3.4Å; F338-N342 PolarHBondContact O-N 3.05Å
339	A	91.1	Very high	88.6	Confident	54 Å²	54	60.2 Å²	60.2	45%	0.446	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-39.9	177.9	0	0	0	0	0	111.4	L335 I336 E337 Y343	L335-A339 PolarHBondContact O-N 2.94Å; I336-A339 PolarHBondContact O-N 3.33Å; E337-A339 PolarHBondContact O-N 2.91Å; A339-Y343 VanDerWaalsContact O-CB 3.29Å; A339-Y343 WeakPolarHBondContact O-CB 3.42Å; A339-Y343 PolarHBondContact O-N 3.04Å
340	T	89.5	Confident	87.3	Confident	55 Å²	55	61 Å²	61	34%	0.337	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-47.2	178.1	-57.7	0	0	0	0	111.4	I336 E337 F338 N342 Y343 F344	I336-T340 WeakPolarHBondContact O-CB 3.31Å; I336-T340 PolarHBondContact O-N 3.5Å; I336-T340 PolarHBondContact O-OG1 3.2Å; E337-T340 WeakPolarHBondContact O-CB 3.43Å; E337-T340 PolarHBondContact O-N 3.27Å; E337-T340 VanDerWaalsContact O-N 3.14Å; F338-T340 PolarHBondContact O-N 3.33Å; T340-N342 PolarHBondContact O-N 3.23Å; T340-Y343 PolarHBondContact O-N 2.9Å; T340-F344 HydrophobicContact CG2-CD2 3.6Å; T340-F344 HydrophobicContact CG2-CE2 3.38Å; T340-F344 WeakPolarHBondContact O-CD2 3.45Å; T340-F344 PolarHBondContact O-N 3.37Å
341	V	88.5	Confident	85.7	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-44.1	176.3	169.2	0	0	0	0	111	E337 F338 T345 V440 V443	E337-V341 WeakPolarHBondContact O-CG2 3.35Å; E337-V341 PolarHBondContact O-N 2.98Å; E337-V341 WeakPolarHBondContact OE1-CG2 3.47Å; F338-V341 PolarHBondContact O-N 3.11Å; V341-T345 VanDerWaalsContact O-CB 3.32Å; V341-T345 WeakPolarHBondContact O-CB 3.25Å; V341-T345 PolarHBondContact O-N 2.84Å; V341-T345 PolarHBondContact O-OG1 3.31Å; V341-V440 HydrophobicContact CG1-CG1 3.89Å; V341-V443 HydrophobicContact CG2-CB 4.32Å; V341-V443 HydrophobicContact CG2-CG1 3.94Å
342	N	88.1	Confident	84.1	Confident	56 Å²	56	68.5 Å²	68.5	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-46.2	177.9	-172.3	1.6	0	0	0	111.4	V286 F338 T340 F344 T345 K346	V286-N342 WeakPolarHBondContact CG1-ND2 3.38Å; F338-N342 HydrophobicContact CE2-CB 4.29Å; F338-N342 WeakPolarHBondContact O-CB 3.4Å; F338-N342 PolarHBondContact O-N 3.05Å; T340-N342 PolarHBondContact O-N 3.23Å; N342-F344 PolarHBondContact O-N 2.66Å; N342-T345 PolarHBondContact O-N 3.48Å; N342-K346 WeakPolarHBondContact O-CB 3.38Å; N342-K346 PolarHBondContact O-N 3.41Å
343	Y	87.6	Confident	82.6	Confident	136 Å²	136	65.9 Å²	65.9	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-48.2	177.3	178	-97.7	0	0	0	112.1	A339 T340 K346 R347	A339-Y343 VanDerWaalsContact O-CB 3.29Å; A339-Y343 WeakPolarHBondContact O-CB 3.42Å; A339-Y343 PolarHBondContact O-N 3.04Å; T340-Y343 PolarHBondContact O-N 2.9Å; Y343-K346 PolarHBondContact O-N 3.26Å; Y343-R347 VanDerWaalsContact O-CB 3.25Å; Y343-R347 WeakPolarHBondContact O-CB 3.39Å; Y343-R347 PolarHBondContact O-N 2.87Å; Y343-R347 PolarHBondContact OH-NH1 3.21Å
344	F	85.6	Confident	80.9	Confident	102 Å²	102	70.6 Å²	70.6	45%	0.447	35%	0.345	S	S	.	.	H	α-helix	trans	-69.1	-34.2	178.7	-74.3	-58.4	0	0	0	113	T340 N342 S348 V440	T340-F344 HydrophobicContact CG2-CD2 3.6Å; T340-F344 HydrophobicContact CG2-CE2 3.38Å; T340-F344 WeakPolarHBondContact O-CD2 3.45Å; T340-F344 PolarHBondContact O-N 3.37Å; N342-F344 PolarHBondContact O-N 2.66Å; F344-S348 WeakPolarHBondContact O-CB 3.11Å; F344-S348 PolarHBondContact O-N 3.05Å; F344-V440 HydrophobicContact CB-CG2 3.75Å
345	T	83.1	Confident	79.2	Confident	21 Å²	21	74.9 Å²	74.9	13%	0.129	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-52.6	173.6	-57.2	0	0	0	0	110.3	V341 N342 R347 S348 W349 V440	V341-T345 VanDerWaalsContact O-CB 3.32Å; V341-T345 WeakPolarHBondContact O-CB 3.25Å; V341-T345 PolarHBondContact O-N 2.84Å; V341-T345 PolarHBondContact O-OG1 3.31Å; N342-T345 PolarHBondContact O-N 3.48Å; T345-R347 VanDerWaalsContact C-N 3.35Å; T345-R347 PolarHBondContact O-N 3.01Å; T345-S348 WeakPolarHBondContact O-CB 3.4Å; T345-S348 PolarHBondContact O-N 3.44Å; T345-W349 PolarHBondContact O-N 2.88Å; T345-V440 WeakPolarHBondContact OG1-CG1 3.2Å
346	K	81.8	Confident	77.6	Confident	156 Å²	156	78.8 Å²	78.8	68%	0.678	38%	0.378	S	S	*	.	H	α-helix	trans	-63.5	-39.5	179.9	-170.7	174.4	-176.9	177.5	0	112.3	N342 Y343 W349 A350	N342-K346 WeakPolarHBondContact O-CB 3.38Å; N342-K346 PolarHBondContact O-N 3.41Å; Y343-K346 PolarHBondContact O-N 3.26Å; K346-W349 PolarHBondContact O-N 2.84Å; K346-A350 WeakPolarHBondContact O-CB 3.39Å; K346-A350 PolarHBondContact O-N 3.37Å
347	R	79.4	Confident	76	Confident	120 Å²	120	76.8 Å²	76.8	45%	0.453	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-47.8	173.9	-177.5	170.4	176.7	153.5	-0.7	110.6	Y343 T345 W349 A350 W351	Y343-R347 VanDerWaalsContact O-CB 3.25Å; Y343-R347 WeakPolarHBondContact O-CB 3.39Å; Y343-R347 PolarHBondContact O-N 2.87Å; Y343-R347 PolarHBondContact OH-NH1 3.21Å; T345-R347 VanDerWaalsContact C-N 3.35Å; T345-R347 PolarHBondContact O-N 3.01Å; R347-W349 VanDerWaalsContact C-N 3.32Å; R347-W349 PolarHBondContact O-N 3.13Å; R347-A350 PolarHBondContact O-N 2.99Å; R347-W351 PolarHBondContact O-N 3.16Å
348	S	71.9	Confident	74.3	Confident	9 Å²	9	81.2 Å²	81.2	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-56.8	-46.9	177.2	-159.7	0	0	0	0	111.1	F344 T345 A350 W351 D352 S436	F344-S348 WeakPolarHBondContact O-CB 3.11Å; F344-S348 PolarHBondContact O-N 3.05Å; T345-S348 WeakPolarHBondContact O-CB 3.4Å; T345-S348 PolarHBondContact O-N 3.44Å; S348-A350 VanDerWaalsContact C-N 3.33Å; S348-A350 PolarHBondContact O-N 3.43Å; S348-W351 PolarHBondContact O-N 3.25Å; S348-D352 VanDerWaalsContact O-CG 3.27Å; S348-D352 PolarHBondContact O-N 3Å; S348-S436 PolarHBondContact OG-OG 3.41Å
349	W	69.7	Low	72.9	Confident	162 Å²	162	86.5 Å²	86.5	61%	0.614	43%	0.425	S	S	*	.	H	α-helix	trans	-62.6	-37.9	178.2	-72.9	36.3	0	0	0	112.7	T345 K346 R347 D352 G353	T345-W349 PolarHBondContact O-N 2.88Å; K346-W349 PolarHBondContact O-N 2.84Å; R347-W349 VanDerWaalsContact C-N 3.32Å; R347-W349 PolarHBondContact O-N 3.13Å; W349-D352 PolarHBondContact O-N 3.03Å; W349-G353 PolarHBondContact O-N 3.33Å
350	A	70	Confident	71.6	Confident	64 Å²	64	89.9 Å²	89.9	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-67.7	-33.5	176.8	0	0	0	0	0	113	K346 R347 S348 K354	K346-A350 WeakPolarHBondContact O-CB 3.39Å; K346-A350 PolarHBondContact O-N 3.37Å; R347-A350 PolarHBondContact O-N 2.99Å; S348-A350 VanDerWaalsContact C-N 3.33Å; S348-A350 PolarHBondContact O-N 3.43Å; A350-K354 WeakPolarHBondContact O-CB 3.41Å; A350-K354 PolarHBondContact O-N 3.3Å
351	W	62.3	Low	70.2	Confident	142 Å²	142	95 Å²	95	54%	0.538	45%	0.447	S	S	.	.	H	α-helix	trans	-72.5	-39.5	172.8	-73	105.6	0	0	0	111.8	R347 S348 R355	R347-W351 PolarHBondContact O-N 3.16Å; S348-W351 PolarHBondContact O-N 3.25Å; W351-R355 WeakPolarHBondContact O-CG 3.4Å; W351-R355 PolarHBondContact O-N 3.4Å; W351-R355 VanDerWaalsContact O-N 3.16Å
352	D	62.8	Low	69	Low	48 Å²	48	100.7 Å²	100.7	26%	0.257	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-47.8	178.3	-66.1	-27.4	0	0	0	111.1	S348 W349 K354 R355 E356 A433	S348-D352 VanDerWaalsContact O-CG 3.27Å; S348-D352 PolarHBondContact O-N 3Å; W349-D352 PolarHBondContact O-N 3.03Å; D352-K354 VanDerWaalsContact C-N 3.34Å; D352-K354 PolarHBondContact O-N 2.76Å; D352-R355 WeakPolarHBondContact O-CB 3.4Å; D352-R355 PolarHBondContact O-N 3.24Å; D352-R355 VanDerWaalsContact O-N 3.1Å; D352-E356 PolarHBondContact O-N 3.36Å; D352-A433 WeakPolarHBondContact OD1-CB 3.42Å
353	G	63.2	Low	67.8	Low	41 Å²	41	101.7 Å²	101.7	42%	0.423	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-30.7	178.7	0	0	0	0	0	114.5	W349 R355 G357	W349-G353 PolarHBondContact O-N 3.33Å; G353-R355 VanDerWaalsContact C-N 3.34Å; G353-G357 PolarHBondContact O-N 2.83Å; G353-G357 VanDerWaalsContact O-N 3.15Å
354	K	60.5	Low	66.9	Low	149 Å²	149	102.1 Å²	102.1	65%	0.648	49%	0.488	S	S	*	.	H	α-helix	trans	-73.4	-28.4	174.3	-163.1	174.7	-174.7	-178.4	0	112.1	A350 D352 M358	A350-K354 WeakPolarHBondContact O-CB 3.41Å; A350-K354 PolarHBondContact O-N 3.3Å; D352-K354 VanDerWaalsContact C-N 3.34Å; D352-K354 PolarHBondContact O-N 2.76Å; K354-M358 WeakPolarHBondContact O-CB 3.2Å; K354-M358 PolarHBondContact O-N 2.97Å
355	R	57.7	Low	66	Low	94 Å²	94	102.7 Å²	102.7	36%	0.355	49%	0.492	S	S	.	.	H	α-helix	trans	-75.5	-45.5	174.9	-78.8	179.4	163.9	-177.1	-3.8	111.4	W351 D352 G353 G357 M358 E359 E432	W351-R355 WeakPolarHBondContact O-CG 3.4Å; W351-R355 PolarHBondContact O-N 3.4Å; W351-R355 VanDerWaalsContact O-N 3.16Å; D352-R355 WeakPolarHBondContact O-CB 3.4Å; D352-R355 PolarHBondContact O-N 3.24Å; D352-R355 VanDerWaalsContact O-N 3.1Å; G353-R355 VanDerWaalsContact C-N 3.34Å; R355-G357 VanDerWaalsContact C-N 3.32Å; R355-G357 PolarHBondContact O-N 3Å; R355-M358 CarbonylContact O-C 3.44Å; R355-M358 WeakPolarHBondContact O-CA 3.4Å; R355-M358 WeakPolarHBondContact O-CB 3.23Å; R355-M358 PolarHBondContact O-N 3.3Å; R355-E359 PolarHBondContact O-N 3.46Å; R355-E432 IonicContact CZ-OE2 3.62Å; R355-E432 IonicContact NH1-OE2 3.4Å; R355-E432 PolarHBondContact NH1-OE2 2.75Å; R355-E432 IonicContact NH2-OE2 2.86Å; R355-E432 PolarHBondContact NH2-OE2 3.2Å
356	E	59.7	Low	65.3	Low	125 Å²	125	104.4 Å²	104.4	58%	0.584	51%	0.509	S	S	*	.	H	α-helix	trans	-59.2	-42.7	174.1	-71.2	178.7	176	0	0	111.9	D352 M358 E359 I360	D352-E356 PolarHBondContact O-N 3.36Å; E356-M358 PolarHBondContact O-N 2.79Å; E356-E359 PolarHBondContact O-N 3.05Å; E356-I360 VanDerWaalsContact O-CG1 3.28Å; E356-I360 WeakPolarHBondContact O-CG1 3.43Å; E356-I360 PolarHBondContact O-N 2.92Å
357	G	59.7	Low	64.8	Low	42 Å²	42	101.9 Å²	101.9	43%	0.433	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-24.3	174.1	0	0	0	0	0	114.2	G353 R355 R361	G353-G357 PolarHBondContact O-N 2.83Å; G353-G357 VanDerWaalsContact O-N 3.15Å; R355-G357 VanDerWaalsContact C-N 3.32Å; R355-G357 PolarHBondContact O-N 3Å; G357-R361 WeakPolarHBondContact O-CB 3.49Å
358	M	57.9	Low	64.4	Low	108 Å²	108	101.6 Å²	101.6	53%	0.532	51%	0.508	S	S	.	.	H	α-helix	trans	-83.7	-41.6	175.2	-167.4	177.6	-69.6	0	0	111.2	K354 R355 E356 I360 R361 E362	K354-M358 WeakPolarHBondContact O-CB 3.2Å; K354-M358 PolarHBondContact O-N 2.97Å; R355-M358 CarbonylContact O-C 3.44Å; R355-M358 WeakPolarHBondContact O-CA 3.4Å; R355-M358 WeakPolarHBondContact O-CB 3.23Å; R355-M358 PolarHBondContact O-N 3.3Å; E356-M358 PolarHBondContact O-N 2.79Å; M358-I360 VanDerWaalsContact C-N 3.32Å; M358-I360 PolarHBondContact O-N 2.97Å; M358-R361 PolarHBondContact O-N 3.38Å; M358-R361 VanDerWaalsContact O-N 3.12Å; M358-E362 WeakPolarHBondContact O-CG 3.47Å; M358-E362 PolarHBondContact O-N 3.07Å
359	E	61.7	Low	64.4	Low	129 Å²	129	103.6 Å²	103.6	60%	0.603	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-30.4	175.5	-78.9	-175.9	171.4	0	0	113.2	R355 E356 P363	R355-E359 PolarHBondContact O-N 3.46Å; E356-E359 PolarHBondContact O-N 3.05Å; E359-P363 WeakPolarHBondContact O-CD 3.41Å; E359-P363 VanDerWaalsContact O-CG 3.31Å; E359-P363 WeakPolarHBondContact O-CG 3.34Å
360	I	62.1	Low	64.6	Low	125 Å²	125	104.3 Å²	104.3	64%	0.641	53%	0.527	S	S	*	.	H	α-helix	trans	-76.5	-30.4	172.6	-64.8	166.5	0	0	0	111.3	E356 M358	E356-I360 VanDerWaalsContact O-CG1 3.28Å; E356-I360 WeakPolarHBondContact O-CG1 3.43Å; E356-I360 PolarHBondContact O-N 2.92Å; M358-I360 VanDerWaalsContact C-N 3.32Å; M358-I360 PolarHBondContact O-N 2.97Å
361	R	60.5	Low	64.7	Low	164 Å²	164	105.7 Å²	105.7	62%	0.619	53%	0.525	S	S	*	.	H	α-helix	trans	-80.8	-35	-174.4	-157	169.8	82.8	169.1	6.6	113.3	G357 M358 F364 Q365	G357-R361 WeakPolarHBondContact O-CB 3.49Å; M358-R361 PolarHBondContact O-N 3.38Å; M358-R361 VanDerWaalsContact O-N 3.12Å; R361-F364 PolarHBondContact O-N 3.16Å; R361-Q365 WeakPolarHBondContact O-CB 3.29Å; R361-Q365 PolarHBondContact O-N 3.02Å
362	E	63.2	Low	65.2	Low	122 Å²	122	106.5 Å²	106.5	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-57.5	-53.8	176.8	-76.8	-65.4	145.6	0	0	114.1	M358 F364 Q365 A366	M358-E362 WeakPolarHBondContact O-CG 3.47Å; M358-E362 PolarHBondContact O-N 3.07Å; E362-F364 VanDerWaalsContact C-N 3.34Å; E362-F364 PolarHBondContact O-N 3.4Å; E362-Q365 PolarHBondContact O-N 2.86Å; E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 3.2Å
363	P	63	Low	65.6	Low	76 Å²	76	108.9 Å²	108.9	49%	0.494	55%	0.545	S	S	.	.	H	α-helix	trans	-68	-32.6	179.1	25.4	-32.5	0	0	0	112.3	E359 N367	E359-P363 WeakPolarHBondContact O-CD 3.41Å; E359-P363 VanDerWaalsContact O-CG 3.31Å; E359-P363 WeakPolarHBondContact O-CG 3.34Å; P363-N367 WeakPolarHBondContact O-CB 3.38Å; P363-N367 PolarHBondContact O-N 3.09Å
364	F	69.3	Low	65.9	Low	145 Å²	145	112.2 Å²	112.2	64%	0.636	55%	0.551	S	S	*	*	H	α-helix	trans	-65.4	-44.7	175.4	-178.5	-99.8	0	0	0	111.6	R361 E362 N367 M368	R361-F364 PolarHBondContact O-N 3.16Å; E362-F364 VanDerWaalsContact C-N 3.34Å; E362-F364 PolarHBondContact O-N 3.4Å; F364-N367 PolarHBondContact O-N 2.75Å; F364-M368 WeakPolarHBondContact O-CB 3.43Å; F364-M368 PolarHBondContact O-N 2.95Å
365	Q	67.4	Low	66.4	Low	114 Å²	114	114.7 Å²	114.7	53%	0.533	56%	0.556	S	S	.	*	H	α-helix	trans	-70	-37.2	179.1	-167.2	156.2	-0.1	0	0	111.9	R361 E362 M368 A369	R361-Q365 WeakPolarHBondContact O-CB 3.29Å; R361-Q365 PolarHBondContact O-N 3.02Å; E362-Q365 PolarHBondContact O-N 2.86Å; Q365-M368 PolarHBondContact O-N 3.17Å; Q365-A369 PolarHBondContact O-N 3.19Å
366	A	67.7	Low	66.8	Low	58 Å²	58	119.3 Å²	119.3	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-65.7	-40.8	173.1	0	0	0	0	0	112.9	E362 A369 R370	E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 3.2Å; A366-A369 PolarHBondContact O-N 3Å; A366-R370 PolarHBondContact O-N 3.01Å; A366-R370 VanDerWaalsContact O-N 3.07Å
367	N	71.6	Confident	66.9	Low	102 Å²	102	119.4 Å²	119.4	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-65.9	-40.5	175.1	-112	0.3	0	0	0	111.9	P363 F364 A369 R370 I371	P363-N367 WeakPolarHBondContact O-CB 3.38Å; P363-N367 PolarHBondContact O-N 3.09Å; F364-N367 PolarHBondContact O-N 2.75Å; N367-A369 VanDerWaalsContact C-N 3.33Å; N367-A369 PolarHBondContact O-N 3.31Å; N367-R370 PolarHBondContact O-N 3.14Å; N367-I371 WeakPolarHBondContact O-CG1 3.24Å; N367-I371 PolarHBondContact O-N 2.87Å
368	M	70.5	Confident	66.9	Low	115 Å²	115	120.7 Å²	120.7	57%	0.567	58%	0.576	S	S	*	*	H	α-helix	trans	-65.8	-36.2	177.9	-165.6	118.1	-119.8	0	0	112.1	F364 Q365 I371 K372	F364-M368 WeakPolarHBondContact O-CB 3.43Å; F364-M368 PolarHBondContact O-N 2.95Å; Q365-M368 PolarHBondContact O-N 3.17Å; M368-I371 PolarHBondContact O-N 3.29Å; M368-K372 PolarHBondContact O-N 2.88Å; M368-K372 VanDerWaalsContact O-N 3.14Å
369	A	71.9	Confident	66.9	Low	51 Å²	51	118.8 Å²	118.8	42%	0.421	58%	0.577	S	S	.	*	H	α-helix	trans	-63.8	-46.3	172.5	0	0	0	0	0	111.9	Q365 A366 N367 I371 K372 D373	Q365-A369 PolarHBondContact O-N 3.19Å; A366-A369 PolarHBondContact O-N 3Å; N367-A369 VanDerWaalsContact C-N 3.33Å; N367-A369 PolarHBondContact O-N 3.31Å; A369-I371 VanDerWaalsContact C-N 3.35Å; A369-I371 PolarHBondContact O-N 2.85Å; A369-K372 WeakPolarHBondContact O-CB 3.41Å; A369-K372 PolarHBondContact O-N 2.88Å; A369-K372 VanDerWaalsContact O-N 3.12Å; A369-D373 PolarHBondContact O-N 3.34Å
370	R	73.4	Confident	66.7	Low	177 Å²	177	117.1 Å²	117.1	67%	0.668	58%	0.576	S	S	*	*	H	α-helix	trans	-58.7	-40.8	174.7	-88.3	-175.7	167.5	170.6	-2.7	113.5	A366 N367 K372 D373 M374	A366-R370 PolarHBondContact O-N 3.01Å; A366-R370 VanDerWaalsContact O-N 3.07Å; N367-R370 PolarHBondContact O-N 3.14Å; R370-K372 VanDerWaalsContact C-N 3.31Å; R370-K372 PolarHBondContact O-N 3.42Å; R370-D373 PolarHBondContact O-N 2.97Å; R370-M374 PolarHBondContact O-N 3.36Å
371	I	72	Confident	66.3	Low	92 Å²	92	117.2 Å²	117.2	47%	0.472	58%	0.577	S	S	.	*	H	α-helix	trans	-64.3	-37.9	176.6	-69.1	168.9	0	0	0	111.1	N367 M368 A369 M374 R375	N367-I371 WeakPolarHBondContact O-CG1 3.24Å; N367-I371 PolarHBondContact O-N 2.87Å; M368-I371 PolarHBondContact O-N 3.29Å; A369-I371 VanDerWaalsContact C-N 3.35Å; A369-I371 PolarHBondContact O-N 2.85Å; I371-M374 HydrophobicContact CG1-CE 4.41Å; I371-R375 WeakPolarHBondContact O-CB 3.43Å; I371-R375 PolarHBondContact O-N 3.2Å
372	K	73.4	Confident	66	Low	160 Å²	160	115.5 Å²	115.5	70%	0.696	59%	0.585	S	S	*	*	H	α-helix	trans	-67.8	-39.1	178.1	-163.1	176.2	-177.8	179.9	0	111.9	M368 A369 R370 R375 R376	M368-K372 PolarHBondContact O-N 2.88Å; M368-K372 VanDerWaalsContact O-N 3.14Å; A369-K372 WeakPolarHBondContact O-CB 3.41Å; A369-K372 PolarHBondContact O-N 2.88Å; A369-K372 VanDerWaalsContact O-N 3.12Å; R370-K372 VanDerWaalsContact C-N 3.31Å; R370-K372 PolarHBondContact O-N 3.42Å; K372-R375 PolarHBondContact O-N 3.37Å; K372-R376 PolarHBondContact O-N 2.94Å
373	D	70.8	Confident	65.4	Low	98 Å²	98	119 Å²	119	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-67.7	-44.7	175.5	-73.7	-21.4	0	0	0	112	A369 R370 R375 R376 E377	A369-D373 PolarHBondContact O-N 3.34Å; R370-D373 PolarHBondContact O-N 2.97Å; D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.04Å; D373-R376 WeakPolarHBondContact O-CB 3.25Å; D373-R376 PolarHBondContact O-N 3.2Å; D373-E377 WeakPolarHBondContact O-CB 3.13Å; D373-E377 PolarHBondContact O-N 3.04Å
374	M	70.6	Confident	64.6	Low	110 Å²	110	124.6 Å²	124.6	54%	0.542	62%	0.615	S	S	.	*	H	α-helix	trans	-57	-39.9	172.4	-84.5	-173.1	-79.9	0	0	112	R370 I371 R376 E377 S378	R370-M374 PolarHBondContact O-N 3.36Å; I371-M374 HydrophobicContact CG1-CE 4.41Å; M374-R376 VanDerWaalsContact C-N 3.32Å; M374-R376 PolarHBondContact O-N 3.12Å; M374-E377 PolarHBondContact O-N 3.03Å; M374-S378 WeakPolarHBondContact O-CB 3.37Å; M374-S378 PolarHBondContact O-N 2.68Å; M374-S378 PolarHBondContact O-OG 3.05Å
375	R	69.8	Low	63.2	Low	201 Å²	201	122.2 Å²	122.2	76%	0.758	62%	0.622	S	S	*	*	H	α-helix	trans	-68.3	-32.7	177.5	-156.8	176.4	-167.1	173.7	3.9	112.2	I371 K372 D373 A379	I371-R375 WeakPolarHBondContact O-CB 3.43Å; I371-R375 PolarHBondContact O-N 3.2Å; K372-R375 PolarHBondContact O-N 3.37Å; D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.04Å; R375-A379 WeakPolarHBondContact O-CB 3.44Å; R375-A379 PolarHBondContact O-N 3.17Å; R375-A379 VanDerWaalsContact O-N 3.15Å
376	R	67.3	Low	61.8	Low	192 Å²	192	124.2 Å²	124.2	73%	0.725	64%	0.636	S	S	*	*	H	α-helix	trans	-72.9	-39.4	176.7	-159.8	177	-173.8	-176	0.1	111.6	K372 D373 M374 A379 T380	K372-R376 PolarHBondContact O-N 2.94Å; D373-R376 WeakPolarHBondContact O-CB 3.25Å; D373-R376 PolarHBondContact O-N 3.2Å; M374-R376 VanDerWaalsContact C-N 3.32Å; M374-R376 PolarHBondContact O-N 3.12Å; R376-A379 PolarHBondContact O-N 3.36Å; R376-T380 PolarHBondContact O-N 3.41Å; R376-T380 PolarHBondContact O-OG1 3.22Å
377	E	61.3	Low	60.4	Low	126 Å²	126	128.6 Å²	128.6	59%	0.589	65%	0.652	S	S	*	*	H	α-helix	trans	-69	-40.1	175.9	-166	174.2	-169.4	0	0	111.7	D373 M374 A379 T380 L381	D373-E377 WeakPolarHBondContact O-CB 3.13Å; D373-E377 PolarHBondContact O-N 3.04Å; M374-E377 PolarHBondContact O-N 3.03Å; E377-A379 VanDerWaalsContact C-N 3.34Å; E377-A379 PolarHBondContact O-N 3.44Å; E377-T380 WeakPolarHBondContact CA-OG1 3.39Å; E377-T380 PolarHBondContact O-N 3.25Å; E377-T380 VanDerWaalsContact O-N 3.13Å; E377-T380 PolarHBondContact O-OG1 3.42Å; E377-L381 HydrophobicContact CG-CD1 4.4Å; E377-L381 PolarHBondContact O-N 3.04Å; E377-L381 VanDerWaalsContact O-N 3.11Å
378	S	59.5	Low	58.5	Low	70 Å²	70	129.1 Å²	129.1	49%	0.49	66%	0.659	S	S	.	*	H	α-helix	trans	-61.9	-39.9	173.5	-54.1	0	0	0	0	111.9	M374 T380 L381 T382	M374-S378 WeakPolarHBondContact O-CB 3.37Å; M374-S378 PolarHBondContact O-N 2.68Å; M374-S378 PolarHBondContact O-OG 3.05Å; S378-T380 VanDerWaalsContact C-N 3.26Å; S378-T380 PolarHBondContact O-N 2.89Å; S378-L381 PolarHBondContact O-N 3.12Å; S378-T382 PolarHBondContact O-N 3.02Å; S378-T382 PolarHBondContact O-OG1 3.06Å
379	A	59	Low	56.7	Low	67 Å²	67	131.6 Å²	131.6	55%	0.554	67%	0.667	S	S	*	*	H	α-helix	trans	-69	-21.6	176.3	0	0	0	0	0	113.5	R375 R376 E377	R375-A379 WeakPolarHBondContact O-CB 3.44Å; R375-A379 PolarHBondContact O-N 3.17Å; R375-A379 VanDerWaalsContact O-N 3.15Å; R376-A379 PolarHBondContact O-N 3.36Å; E377-A379 VanDerWaalsContact C-N 3.34Å; E377-A379 PolarHBondContact O-N 3.44Å
380	T	57	Low	54.8	Low	94 Å²	94	135 Å²	135	58%	0.577	68%	0.678	S	S	*	*	H	α-helix	trans	-85.5	-26.5	174.2	48.5	0	0	0	0	113.6	R376 E377 S378	R376-T380 PolarHBondContact O-N 3.41Å; R376-T380 PolarHBondContact O-OG1 3.22Å; E377-T380 WeakPolarHBondContact CA-OG1 3.39Å; E377-T380 PolarHBondContact O-N 3.25Å; E377-T380 VanDerWaalsContact O-N 3.13Å; E377-T380 PolarHBondContact O-OG1 3.42Å; S378-T380 VanDerWaalsContact C-N 3.26Å; S378-T380 PolarHBondContact O-N 2.89Å
381	L	54.2	Low	52.8	Low	128 Å²	128	133.2 Å²	133.2	67%	0.67	68%	0.68	S	S	*	*	H	α-helix	trans	-78.5	-30.3	179.2	-80.1	158.5	0	0	0	113.4	E377 S378 K383	E377-L381 HydrophobicContact CG-CD1 4.4Å; E377-L381 PolarHBondContact O-N 3.04Å; E377-L381 VanDerWaalsContact O-N 3.11Å; S378-L381 PolarHBondContact O-N 3.12Å; L381-K383 PolarHBondContact O-N 3.42Å
382	T	52.8	Low	50.8	Low	127 Å²	127	135.5 Å²	135.5	78%	0.779	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-6.4	179	-19.7	0	0	0	0	114.2	S378	S378-T382 PolarHBondContact O-N 3.02Å; S378-T382 PolarHBondContact O-OG1 3.06Å
383	K	50.7	Low	48.7	Very low	196 Å²	196	130.6 Å²	130.6	85%	0.852	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	0.5	180	-107.6	-178.7	178.8	-179.3	0	114.5	L381	L381-K383 PolarHBondContact O-N 3.42Å
384	K	47.2	Very low	46.8	Very low	193 Å²	193	132.9 Å²	132.9	84%	0.839	71%	0.711	S	S	*	*	S	Bend	trans	-146.4	64.2	-167.4	-136.4	-179.1	-170.7	-175.1	0	114.5
385	A	40.1	Very low	44.9	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	72%	0.717	S	S	*	*			trans	-167.8	96.1	153.5	0	0	0	0	0	111.9
386	N	38	Very low	43.1	Very low	156 Å²	156	134 Å²	134	83%	0.834	72%	0.723	S	S	*	*			trans	-109.8	135.4	153.8	-82.8	-6.4	0	0	0	107.6
387	N	37.6	Very low	41.3	Very low	150 Å²	150	128.4 Å²	128.4	80%	0.802	73%	0.725	S	S	*	*			trans	127.3	92.4	154.6	-65.2	-3.1	0	0	0	116.6
388	T	31.6	Very low	40	Very low	113 Å²	113	129.5 Å²	129.5	69%	0.693	73%	0.734	S	S	*	*				28.9	123.5	120.2	1.1	0	0	0	0	121.5
389	F	33.3	Very low	38.5	Very low	168 Å²	168	134.2 Å²	134.2	74%	0.737	75%	0.753	S	S	*	*				171.9	122.1	90.2	-127.6	-101.1	0	0	0	112.6
390	N	30.7	Very low	37.1	Very low	122 Å²	122	137.2 Å²	137.2	65%	0.652	77%	0.765	S	S	*	*			trans	33	147.9	131.2	-65.2	-5.2	0	0	0	121.7
391	I	32.7	Very low	35.8	Very low	139 Å²	139	137.5 Å²	137.5	71%	0.713	78%	0.777	S	S	*	*			cis	-175.4	147.1	46.5	-122.2	145.9	0	0	0	111.2
392	V	29.6	Very low	34.5	Very low	141 Å²	141	140.2 Å²	140.2	86%	0.855	78%	0.783	S	S	*	*			trans	56.7	131.7	145.1	-174	0	0	0	0	119.9
393	G	28.6	Very low	33.3	Very low	57 Å²	57	140.6 Å²	140.6	59%	0.588	78%	0.78	S	S	*	*			cis	172.2	151.3	1.7	0	0	0	0	0	110
394	T	32	Very low	32.2	Very low	146 Å²	146	140.1 Å²	140.1	90%	0.896	78%	0.781	S	S	*	*			trans	169.5	114.9	132.7	41.7	0	0	0	0	109.7
395	T	29.4	Very low	31.3	Very low	109 Å²	109	134.6 Å²	134.6	67%	0.669	78%	0.779	S	S	*	*			trans	-47.9	148.2	161.8	-6.5	0	0	0	0	111.2
396	Y	32.2	Very low	30.6	Very low	224 Å²	224	137.7 Å²	137.7	88%	0.878	78%	0.781	S	S	*	*			cis	-159.8	166.7	43	-64.2	-94.7	0	0	0	107.2
397	G	30.7	Very low	30.1	Very low	76 Å²	76	135.5 Å²	135.5	78%	0.784	77%	0.774	S	S	*	*			cis	-176.9	139.8	1.6	0	0	0	0	0	106.4
398	I	32.3	Very low	29.6	Very low	148 Å²	148	133.6 Å²	133.6	76%	0.759	77%	0.768	S	S	*	*			trans	-71.3	140.7	-175.7	-68.7	161.3	0	0	0	110.3	V400	I398-V400 HydrophobicContact CG2-CG2 4.4Å
399	N	28.6	Very low	29.5	Very low	169 Å²	169	135.1 Å²	135.1	90%	0.904	77%	0.77	S	S	*	*			trans	-148.3	121.3	142.5	-87.2	-41.6	0	0	0	111.8
400	V	29.5	Very low	29.3	Very low	131 Å²	131	132.2 Å²	132.2	79%	0.794	77%	0.771	S	S	*	*			trans	-80.3	128.6	170	167.8	0	0	0	0	108	I398	I398-V400 HydrophobicContact CG2-CG2 4.4Å
401	A	29.3	Very low	29.1	Very low	100 Å²	100	135.2 Å²	135.2	83%	0.826	78%	0.778	S	S	*	*			trans	-146	112	156.7	0	0	0	0	0	110.1
402	K	28	Very low	28.8	Very low	185 Å²	185	134.2 Å²	134.2	80%	0.804	78%	0.783	S	S	*	*			trans	-52.4	130.4	163.8	178.9	-173.2	-179	-178.3	0	110.4
403	D	27.5	Very low	28.8	Very low	134 Å²	134	131.8 Å²	131.8	72%	0.717	78%	0.778	S	S	*	*				-177.2	160.6	123.3	-98.5	-26.3	0	0	0	115.3
404	Q	26.8	Very low	29.2	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	79%	0.791	S	S	*	*			trans	-52.9	151.1	-176.7	-62.2	158.3	-26.7	0	0	114.8
405	G	29.1	Very low	28.8	Very low	78 Å²	78	132 Å²	132	80%	0.804	79%	0.785	S	S	*	*			trans	170.9	94.5	166.7	0	0	0	0	0	115.2
406	L	26.2	Very low	29	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	79%	0.793	S	S	*	*			trans	-35.6	161.4	168.7	-151	75.2	0	0	0	117.7
407	T	26.1	Very low	28.6	Very low	110 Å²	110	127 Å²	127	68%	0.675	78%	0.784	S	S	*	*			trans	80.2	144.3	157.9	74.4	0	0	0	0	116
408	T	27.3	Very low	28.7	Very low	110 Å²	110	130.9 Å²	130.9	68%	0.675	79%	0.785	S	S	*	*			cis	-172.6	143.7	5.8	8.2	0	0	0	0	107.5
409	I	29.9	Very low	28.5	Very low	145 Å²	145	132.7 Å²	132.7	74%	0.744	79%	0.788	S	S	*	*			trans	35.4	117.6	136.4	-53	170	0	0	0	119.3
410	S	28.8	Very low	28.6	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	78%	0.784	S	S	*	*				175.9	113.1	121.4	43.9	0	0	0	0	109.5
411	K	27.6	Very low	28.6	Very low	186 Å²	186	131.8 Å²	131.8	81%	0.809	78%	0.781	S	S	*	*				70.4	112.9	92.2	-83.9	-171.7	177.9	178.2	0	115.3
412	S	26.2	Very low	28.6	Very low	117 Å²	117	136 Å²	136	82%	0.818	78%	0.78	S	S	*	*			trans	63.1	138	139.3	47.6	0	0	0	0	118.9
413	A	28.9	Very low	28.8	Very low	90 Å²	90	135 Å²	135	74%	0.744	78%	0.784	S	S	*	*			cis	-172.2	-157	9.8	0	0	0	0	0	107.7
414	P	36.1	Very low	29.1	Very low	133 Å²	133	136.4 Å²	136.4	86%	0.864	79%	0.785	S	S	*	*				-126.2	164.2	-77.7	36.5	-20.5	0	0	0	115.5
415	G	24.3	Very low	29.4	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	78%	0.779	S	S	*	*			trans	125.9	155.6	147.4	0	0	0	0	0	116.8
416	P	33.9	Very low	29.7	Very low	128 Å²	128	139.8 Å²	139.8	83%	0.831	78%	0.78	S	S	*	*			cis	-118.6	162.9	-22.1	36.2	-20.7	0	0	0	113.3
417	S	24.5	Very low	30.4	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	77%	0.774	S	S	*	*			trans	-63.3	135	175.5	52.3	0	0	0	0	114.4
418	I	31.1	Very low	31.2	Very low	158 Å²	158	138.6 Å²	138.6	81%	0.81	77%	0.77	S	S	*	*			trans	-116.4	107.7	148.6	-62.5	178.9	0	0	0	107
419	K	28.3	Very low	32.3	Very low	187 Å²	187	136.2 Å²	136.2	81%	0.813	76%	0.756	S	S	*	*			trans	-76.6	119.8	172.3	-68.4	177	178.2	177.2	0	108.1
420	H	30.6	Very low	33.1	Very low	177 Å²	177	137.4 Å²	137.4	82%	0.819	75%	0.753	S	S	*	*			trans	-113.8	107.2	149.6	-97.4	-81.2	0	0	0	108.2	F422	H420-F422 PolarHBondContact O-N 2.91Å
421	S	30.1	Very low	33.8	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	74%	0.738	S	S	*	*			trans	-67.6	113.6	167.1	47.9	0	0	0	0	109.8
422	F	30.1	Very low	34.8	Very low	187 Å²	187	132.1 Å²	132.1	82%	0.82	72%	0.724	S	S	*	*			trans	-135.9	95.5	149.5	-117	-89.6	0	0	0	107.5	H420 H424	H420-F422 PolarHBondContact O-N 2.91Å; F422-H424 VanDerWaalsContact C-N 3.32Å; F422-H424 PolarHBondContact O-N 3.34Å
423	L	31.4	Very low	35.9	Very low	166 Å²	166	127.7 Å²	127.7	87%	0.869	70%	0.695	S	S	*	*			trans	-77.9	84.7	175.9	-163.1	138.4	0	0	0	107.5
424	H	33.9	Very low	36.9	Very low	162 Å²	162	128.7 Å²	128.7	75%	0.75	68%	0.682	S	S	*	*			trans	-82.2	108.6	157.4	-104.3	-82.4	0	0	0	107	F422 M426	F422-H424 VanDerWaalsContact C-N 3.32Å; F422-H424 PolarHBondContact O-N 3.34Å; H424-M426 VanDerWaalsContact C-N 3.28Å; H424-M426 PolarHBondContact O-N 2.69Å
425	K	32.1	Very low	37.6	Very low	168 Å²	168	128.7 Å²	128.7	73%	0.73	67%	0.669	S	S	*	*			trans	-63.2	92.6	167	-170.6	178.9	-179.2	-178	0	107.7	D427	K425-D427 PolarHBondContact O-N 2.95Å
426	M	37.2	Very low	38.9	Very low	168 Å²	168	127.2 Å²	127.2	83%	0.828	65%	0.647	S	S	*	*			trans	-74.2	109.8	161.9	-88.3	-175	154.5	0	0	106.7	H424 D428	H424-M426 VanDerWaalsContact C-N 3.28Å; H424-M426 PolarHBondContact O-N 2.69Å; M426-D428 PolarHBondContact O-N 2.91Å
427	D	40.2	Very low	40	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	63%	0.629	S	S	*	*			trans	-67.8	110.7	162.6	-75.6	-35.5	0	0	0	107.3	K425 P429	K425-D427 PolarHBondContact O-N 2.95Å; D427-P429 WeakPolarHBondContact O-CD 3.33Å
428	D	43.2	Very low	41.7	Very low	108 Å²	108	125.5 Å²	125.5	58%	0.578	61%	0.614	S	S	*	*			trans	-58.6	123.5	-175.3	-103	-35.6	0	0	0	112.3	M426 Y430 T431	M426-D428 PolarHBondContact O-N 2.91Å; D428-Y430 PolarHBondContact O-N 3.46Å; D428-T431 WeakPolarHBondContact CB-OG1 3.38Å; D428-T431 WeakPolarHBondContact O-CB 3.45Å; D428-T431 PolarHBondContact O-N 3.38Å; D428-T431 VanDerWaalsContact O-N 3.08Å; D428-T431 PolarHBondContact O-OG1 3.48Å
429	P	50.1	Low	43.1	Very low	60 Å²	60	126.6 Å²	126.6	39%	0.39	61%	0.608	S	S	.	*	H	α-helix	trans	-62.6	-25.5	177.8	-22	31.7	0	0	0	114.4	D427 T431 E432 A433	D427-P429 WeakPolarHBondContact O-CD 3.33Å; P429-T431 PolarHBondContact O-N 2.91Å; P429-E432 PolarHBondContact O-N 2.98Å; P429-E432 VanDerWaalsContact O-N 3.11Å; P429-A433 PolarHBondContact O-N 3.29Å
430	Y	45.6	Very low	44.7	Very low	171 Å²	171	118.1 Å²	118.1	67%	0.671	57%	0.572	S	S	*	*	H	α-helix	trans	-59.1	-31.4	174.1	-175.2	-103.4	0	0	0	111.8	D428 K434	D428-Y430 PolarHBondContact O-N 3.46Å; Y430-K434 HydrophobicContact CE1-CD 4.06Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 2.97Å; Y430-K434 VanDerWaalsContact O-N 3.17Å
431	T	45.3	Very low	46.6	Very low	72 Å²	72	111 Å²	111	44%	0.442	54%	0.543	S	S	.	.	H	α-helix	trans	-71.8	-29.2	178	-14.8	0	0	0	0	112.7	D428 P429 K435	D428-T431 WeakPolarHBondContact CB-OG1 3.38Å; D428-T431 WeakPolarHBondContact O-CB 3.45Å; D428-T431 PolarHBondContact O-N 3.38Å; D428-T431 VanDerWaalsContact O-N 3.08Å; D428-T431 PolarHBondContact O-OG1 3.48Å; P429-T431 PolarHBondContact O-N 2.91Å; T431-K435 VanDerWaalsContact O-CB 3.3Å; T431-K435 WeakPolarHBondContact O-CB 3.39Å; T431-K435 WeakPolarHBondContact O-CG 3.32Å; T431-K435 PolarHBondContact O-N 2.91Å
432	E	46.7	Very low	48.9	Very low	109 Å²	109	112 Å²	112	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-79.2	-44.1	178.4	-74.2	-166.1	145.7	0	0	113	R355 P429 K434 K435 S436	R355-E432 IonicContact CZ-OE2 3.62Å; R355-E432 IonicContact NH1-OE2 3.4Å; R355-E432 PolarHBondContact NH1-OE2 2.75Å; R355-E432 IonicContact NH2-OE2 2.86Å; R355-E432 PolarHBondContact NH2-OE2 3.2Å; P429-E432 PolarHBondContact O-N 2.98Å; P429-E432 VanDerWaalsContact O-N 3.11Å; E432-K434 VanDerWaalsContact C-N 3.34Å; E432-K435 CarbonylContact O-C 3.58Å; E432-K435 WeakPolarHBondContact O-CA 3.48Å; E432-K435 WeakPolarHBondContact O-CB 3.32Å; E432-K435 PolarHBondContact O-N 3.11Å; E432-K435 VanDerWaalsContact O-N 3.12Å; E432-S436 PolarHBondContact O-N 3.08Å
433	A	49.9	Very low	51.5	Low	25 Å²	25	105.8 Å²	105.8	21%	0.207	51%	0.511	C	S	.	.	H	α-helix	trans	-62.8	-42.8	175.3	0	0	0	0	0	110.9	D352 P429 K435 S436 Y437	D352-A433 WeakPolarHBondContact OD1-CB 3.42Å; P429-A433 PolarHBondContact O-N 3.29Å; A433-K435 VanDerWaalsContact C-N 3.32Å; A433-K435 PolarHBondContact O-N 3.26Å; A433-S436 PolarHBondContact O-N 3.26Å; A433-Y437 WeakPolarHBondContact O-CB 3.42Å; A433-Y437 PolarHBondContact O-N 2.86Å
434	K	50.7	Low	54	Low	111 Å²	111	98.4 Å²	98.4	48%	0.483	47%	0.472	S	S	.	.	H	α-helix	trans	-63.1	-35.4	172	-161.5	170.1	-174.3	172.6	0	112.1	Y430 E432 N438	Y430-K434 HydrophobicContact CE1-CD 4.06Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 2.97Å; Y430-K434 VanDerWaalsContact O-N 3.17Å; E432-K434 VanDerWaalsContact C-N 3.34Å; K434-N438 WeakPolarHBondContact O-CB 3.2Å; K434-N438 PolarHBondContact O-N 3.4Å; K434-N438 PolarHBondContact O-ND2 3.34Å
435	K	49.6	Very low	56.5	Low	133 Å²	133	96.7 Å²	96.7	58%	0.578	46%	0.463	S	S	*	.	H	α-helix	trans	-66.1	-40.7	172.7	-88.2	171.2	-179.3	173.3	0	112.4	T431 E432 A433 R439	T431-K435 VanDerWaalsContact O-CB 3.3Å; T431-K435 WeakPolarHBondContact O-CB 3.39Å; T431-K435 WeakPolarHBondContact O-CG 3.32Å; T431-K435 PolarHBondContact O-N 2.91Å; E432-K435 CarbonylContact O-C 3.58Å; E432-K435 WeakPolarHBondContact O-CA 3.48Å; E432-K435 WeakPolarHBondContact O-CB 3.32Å; E432-K435 PolarHBondContact O-N 3.11Å; E432-K435 VanDerWaalsContact O-N 3.12Å; A433-K435 VanDerWaalsContact C-N 3.32Å; A433-K435 PolarHBondContact O-N 3.26Å; K435-R439 WeakPolarHBondContact O-CG 3.36Å; K435-R439 PolarHBondContact O-N 2.94Å
436	S	52.8	Low	59.2	Low	44 Å²	44	93 Å²	93	31%	0.308	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-49.6	178.6	-177	0	0	0	0	112.1	S348 E432 A433 N438 R439 V440	S348-S436 PolarHBondContact OG-OG 3.41Å; E432-S436 PolarHBondContact O-N 3.08Å; A433-S436 PolarHBondContact O-N 3.26Å; S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 3.28Å; S436-R439 WeakPolarHBondContact O-CB 3.3Å; S436-R439 PolarHBondContact O-N 3.18Å; S436-V440 PolarHBondContact O-N 3.2Å
437	Y	56.1	Low	61.9	Low	118 Å²	118	85.5 Å²	85.5	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-59	-39.9	175.3	-178.9	-94.3	0	0	0	112.3	R283 A433 S441	R283-Y437 VanDerWaalsContact NH2-CE2 3.33Å; R283-Y437 PolarHBondContact NH2-OH 3.42Å; A433-Y437 WeakPolarHBondContact O-CB 3.42Å; A433-Y437 PolarHBondContact O-N 2.86Å; Y437-S441 PolarHBondContact O-N 2.88Å
438	N	60.8	Low	64.4	Low	72 Å²	72	82.7 Å²	82.7	39%	0.385	39%	0.393	S	S	.	.	H	α-helix	trans	-68.1	-30.5	174.1	-77.1	-25.5	0	0	0	113	K434 S436 K442	K434-N438 WeakPolarHBondContact O-CB 3.2Å; K434-N438 PolarHBondContact O-N 3.4Å; K434-N438 PolarHBondContact O-ND2 3.34Å; S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 3.28Å; N438-K442 WeakPolarHBondContact O-CB 3.37Å; N438-K442 WeakPolarHBondContact O-CD 3.49Å; N438-K442 WeakPolarHBondContact O-CG 3.17Å; N438-K442 PolarHBondContact O-N 2.97Å; N438-K442 VanDerWaalsContact O-N 3.09Å
439	R	60.5	Low	66.8	Low	182 Å²	182	83 Å²	83	69%	0.687	39%	0.394	S	S	*	.	H	α-helix	trans	-68	-43.2	175.7	-82.2	-179.8	-173.1	-169.7	2.8	111.6	K435 S436 K442 V443	K435-R439 WeakPolarHBondContact O-CG 3.36Å; K435-R439 PolarHBondContact O-N 2.94Å; S436-R439 WeakPolarHBondContact O-CB 3.3Å; S436-R439 PolarHBondContact O-N 3.18Å; R439-K442 WeakPolarHBondContact O-CB 3.49Å; R439-K442 PolarHBondContact O-N 3.38Å; R439-V443 PolarHBondContact O-N 2.88Å
440	V	62.9	Low	68.9	Low	9 Å²	9	84 Å²	84	6%	0.055	40%	0.395	C	S	.	.	H	α-helix	trans	-65.9	-44.3	178.5	-178.7	0	0	0	0	111.3	V341 F344 T345 S436 K442 V443	V341-V440 HydrophobicContact CG1-CG1 3.89Å; F344-V440 HydrophobicContact CB-CG2 3.75Å; T345-V440 WeakPolarHBondContact OG1-CG1 3.2Å; S436-V440 PolarHBondContact O-N 3.2Å; V440-K442 PolarHBondContact O-N 3.19Å; V440-V443 PolarHBondContact O-N 2.95Å; V440-V443 VanDerWaalsContact O-N 3.11Å
441	S	69	Low	71.2	Confident	28 Å²	28	77.2 Å²	77.2	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-25	175	179.9	0	0	0	0	113.2	Y437 K445	Y437-S441 PolarHBondContact O-N 2.88Å; S441-K445 WeakPolarHBondContact O-CB 3.32Å; S441-K445 VanDerWaalsContact O-CG 3.23Å; S441-K445 WeakPolarHBondContact O-CG 3.46Å; S441-K445 PolarHBondContact O-N 3.05Å
442	K	79.6	Confident	73.6	Confident	125 Å²	125	76.2 Å²	76.2	54%	0.543	36%	0.363	S	S	.	.	H	α-helix	trans	-71.8	-34.4	173.4	-78.8	169.3	-176.3	-169.7	0	112.3	N438 R439 V440 K445 I446	N438-K442 WeakPolarHBondContact O-CB 3.37Å; N438-K442 WeakPolarHBondContact O-CD 3.49Å; N438-K442 WeakPolarHBondContact O-CG 3.17Å; N438-K442 PolarHBondContact O-N 2.97Å; N438-K442 VanDerWaalsContact O-N 3.09Å; R439-K442 WeakPolarHBondContact O-CB 3.49Å; R439-K442 PolarHBondContact O-N 3.38Å; V440-K442 PolarHBondContact O-N 3.19Å; K442-K445 PolarHBondContact O-N 3.42Å; K442-I446 WeakPolarHBondContact O-CB 3.29Å; K442-I446 WeakPolarHBondContact O-CD1 3.22Å; K442-I446 WeakPolarHBondContact O-CG1 3.49Å; K442-I446 PolarHBondContact O-N 2.97Å
443	V	83.4	Confident	76	Confident	56 Å²	56	74.6 Å²	74.6	34%	0.339	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-56.8	178.5	178.6	0	0	0	0	110.3	E337 V341 R439 V440 K445 I446 S447	E337-V443 HydrophobicContact CG-CG1 4.4Å; V341-V443 HydrophobicContact CG2-CB 4.32Å; V341-V443 HydrophobicContact CG2-CG1 3.94Å; R439-V443 PolarHBondContact O-N 2.88Å; V440-V443 PolarHBondContact O-N 2.95Å; V440-V443 VanDerWaalsContact O-N 3.11Å; V443-K445 VanDerWaalsContact C-N 3.25Å; V443-K445 PolarHBondContact O-N 3.47Å; V443-I446 PolarHBondContact O-N 3.1Å; V443-S447 PolarHBondContact O-N 3.16Å; V443-S447 PolarHBondContact O-OG 3.07Å
444	D	83.4	Confident	78.2	Confident	11 Å²	11	77.6 Å²	77.6	6%	0.059	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-38.9	178.7	-69.1	-63.2	0	0	0	111.4	R289 I446 S447 R448	R289-D444 IonicContact CZ-OD1 3.42Å; R289-D444 IonicContact NH1-OD1 3.01Å; R289-D444 PolarHBondContact NH1-OD1 3.43Å; R289-D444 IonicContact NH1-OD2 3.78Å; R289-D444 IonicContact NH2-OD1 2.87Å; R289-D444 PolarHBondContact NH2-OD1 2.9Å; D444-I446 PolarHBondContact O-N 3.34Å; D444-S447 PolarHBondContact O-N 3.31Å; D444-R448 WeakPolarHBondContact O-CG 3.25Å; D444-R448 PolarHBondContact O-N 3.34Å; D444-R448 VanDerWaalsContact O-N 3.08Å
445	K	86.9	Confident	80.4	Confident	125 Å²	125	73 Å²	73	54%	0.543	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-39.2	177.8	-78.3	177.3	-176.8	-178	0	113.1	S441 K442 V443	S441-K445 WeakPolarHBondContact O-CB 3.32Å; S441-K445 VanDerWaalsContact O-CG 3.23Å; S441-K445 WeakPolarHBondContact O-CG 3.46Å; S441-K445 PolarHBondContact O-N 3.05Å; K442-K445 PolarHBondContact O-N 3.42Å; V443-K445 VanDerWaalsContact C-N 3.25Å; V443-K445 PolarHBondContact O-N 3.47Å
446	I	89.9	Confident	82.7	Confident	92 Å²	92	73.3 Å²	73.3	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-73	-44.2	178	-69.8	165.8	0	0	0	109.7	K442 V443 D444 R448 I449 I450	K442-I446 WeakPolarHBondContact O-CB 3.29Å; K442-I446 WeakPolarHBondContact O-CD1 3.22Å; K442-I446 WeakPolarHBondContact O-CG1 3.49Å; K442-I446 PolarHBondContact O-N 2.97Å; V443-I446 PolarHBondContact O-N 3.1Å; D444-I446 PolarHBondContact O-N 3.34Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 2.91Å; I446-I449 PolarHBondContact O-N 3.38Å; I446-I450 HydrophobicContact CG2-CD1 3.27Å; I446-I450 HydrophobicContact CG2-CG1 3.83Å; I446-I450 PolarHBondContact O-N 3.29Å
447	S	92.3	Very high	84.8	Confident	9 Å²	9	76 Å²	76	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-56.4	-39.4	178.1	-57.5	0	0	0	0	112.1	E337 V443 D444 I449 F451	E337-S447 WeakPolarHBondContact CG-OG 3.48Å; E337-S447 PolarHBondContact OE1-OG 3.43Å; V443-S447 PolarHBondContact O-N 3.16Å; V443-S447 PolarHBondContact O-OG 3.07Å; D444-S447 PolarHBondContact O-N 3.31Å; S447-I449 PolarHBondContact O-N 3.29Å; S447-I449 VanDerWaalsContact O-N 3.16Å; S447-F451 WeakPolarHBondContact O-CB 3.32Å; S447-F451 WeakPolarHBondContact O-CD2 3.35Å; S447-F451 PolarHBondContact O-N 2.98Å; S447-F451 VanDerWaalsContact O-N 3.16Å
448	R	92.9	Very high	86.7	Confident	76 Å²	76	72.6 Å²	72.6	29%	0.287	35%	0.352	S	S	.	.	H	α-helix	trans	-58.2	-25.5	176.7	-75.6	170.6	-163.8	-169.4	1.8	114.8	F279 W280 D444 I446 P452	F279-R448 HydrophobicContact CB-CG 3.77Å; F279-R448 VanDerWaalsContact O-CZ 3.27Å; F279-R448 PolarHBondContact O-NE 2.83Å; F279-R448 PolarHBondContact O-NH2 2.99Å; W280-R448 HydrophobicContact CD2-CG 4.4Å; W280-R448 HydrophobicContact CZ2-CB 4.35Å; W280-R448 HydrophobicContact CZ2-CG 4.21Å; D444-R448 WeakPolarHBondContact O-CG 3.25Å; D444-R448 PolarHBondContact O-N 3.34Å; D444-R448 VanDerWaalsContact O-N 3.08Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 2.91Å; R448-P452 WeakPolarHBondContact O-CD 3.49Å; R448-P452 WeakPolarHBondContact O-CG 3.42Å
449	I	93.6	Very high	88.4	Confident	115 Å²	115	70.2 Å²	70.2	59%	0.59	34%	0.339	S	S	*	.	H	α-helix	trans	-102.9	-46.4	-179	-59.2	172.6	0	0	0	110	I446 S447 P452 V453	I446-I449 PolarHBondContact O-N 3.38Å; S447-I449 PolarHBondContact O-N 3.29Å; S447-I449 VanDerWaalsContact O-N 3.16Å; I449-P452 WeakPolarHBondContact O-CD 3.43Å; I449-V453 HydrophobicContact CG2-CG2 4.27Å; I449-V453 WeakPolarHBondContact O-CB 3.36Å; I449-V453 WeakPolarHBondContact O-CG2 3.48Å; I449-V453 PolarHBondContact O-N 3.15Å
450	I	94.9	Very high	90.1	Very high	80 Å²	80	66.6 Å²	66.6	41%	0.41	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-46.5	-174	-69.3	-170.4	0	0	0	111.7	I446 V453 L454	I446-I450 HydrophobicContact CG2-CD1 3.27Å; I446-I450 HydrophobicContact CG2-CG1 3.83Å; I446-I450 PolarHBondContact O-N 3.29Å; I450-V453 PolarHBondContact O-N 3.06Å; I450-L454 HydrophobicContact CG2-CD1 3.44Å; I450-L454 VanDerWaalsContact CG2-CD1 3.44Å; I450-L454 HydrophobicContact CG2-CG 3.98Å; I450-L454 WeakPolarHBondContact O-CB 3.5Å; I450-L454 VanDerWaalsContact O-CG 3.27Å; I450-L454 WeakPolarHBondContact O-CG 2.88Å; I450-L454 PolarHBondContact O-N 3.39Å
451	F	94.9	Very high	91.7	Very high	30 Å²	30	67.7 Å²	67.7	13%	0.132	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-50	-175.3	-82.9	-110.4	0	0	0	112.9	Q276 F279 F330 A334 S447 V453 F455	Q276-F451 HydrophobicContact CG-CB 4.24Å; F279-F451 HydrophobicContact CE2-CB 3.85Å; F279-F451 HydrophobicContact CE2-CD1 4.03Å; F279-F451 AromaticContact CE2-CD2 3.95Å; F279-F451 HydrophobicContact CE2-CD2 3.95Å; F279-F451 HydrophobicContact CE2-CE2 4.49Å; F279-F451 AromaticContact CE2-CG 3.69Å; F279-F451 HydrophobicContact CE2-CG 3.69Å; F279-F451 AromaticContact CZ-CD1 3.9Å; F279-F451 HydrophobicContact CZ-CD1 3.9Å; F279-F451 AromaticContact CZ-CD2 3.98Å; F279-F451 HydrophobicContact CZ-CD2 3.98Å; F279-F451 AromaticContact CZ-CE1 3.99Å; F279-F451 HydrophobicContact CZ-CE1 3.99Å; F279-F451 HydrophobicContact CZ-CE2 4.06Å; F279-F451 AromaticContact CZ-CG 3.9Å; F279-F451 HydrophobicContact CZ-CG 3.9Å; F279-F451 HydrophobicContact CZ-CZ 4.06Å; F330-F451 HydrophobicContact CD1-CD1 4.07Å; A334-F451 HydrophobicContact CB-CE1 4.38Å; S447-F451 WeakPolarHBondContact O-CB 3.32Å; S447-F451 WeakPolarHBondContact O-CD2 3.35Å; S447-F451 PolarHBondContact O-N 2.98Å; S447-F451 VanDerWaalsContact O-N 3.16Å; F451-V453 PolarHBondContact O-N 3.12Å; F451-F455 WeakPolarHBondContact O-CB 3.31Å; F451-F455 PolarHBondContact O-N 3.07Å
452	P	95.6	Very high	93	Very high	50 Å²	50	67 Å²	67	33%	0.325	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-42.1	175.7	-22.8	31.3	0	0	0	113.3	R448 I449 F455 F456	R448-P452 WeakPolarHBondContact O-CD 3.49Å; R448-P452 WeakPolarHBondContact O-CG 3.42Å; I449-P452 WeakPolarHBondContact O-CD 3.43Å; P452-F455 PolarHBondContact O-N 3.43Å; P452-F456 WeakPolarHBondContact O-CB 3.42Å; P452-F456 PolarHBondContact O-N 2.93Å
453	V	96.3	Very high	93.7	Very high	75 Å²	75	64.2 Å²	64.2	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-65.5	-46.4	-178.8	170.6	0	0	0	0	111.1	I449 I450 F451 F455 F456 I457	I449-V453 HydrophobicContact CG2-CG2 4.27Å; I449-V453 WeakPolarHBondContact O-CB 3.36Å; I449-V453 WeakPolarHBondContact O-CG2 3.48Å; I449-V453 PolarHBondContact O-N 3.15Å; I450-V453 PolarHBondContact O-N 3.06Å; F451-V453 PolarHBondContact O-N 3.12Å; V453-F455 VanDerWaalsContact C-N 3.34Å; V453-F455 PolarHBondContact O-N 3.43Å; V453-F456 PolarHBondContact O-N 2.95Å; V453-I457 HydrophobicContact CG1-CD1 3.86Å; V453-I457 VanDerWaalsContact O-CG1 3.31Å; V453-I457 WeakPolarHBondContact O-CG1 3.46Å; V453-I457 PolarHBondContact O-N 3.42Å
454	L	96.7	Very high	94.2	Very high	89 Å²	89	63.7 Å²	63.7	47%	0.466	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-41.7	176.8	-72.6	178.4	0	0	0	111.7	F330 I450 F456 I457 F458	F330-L454 HydrophobicContact CE1-CB 3.95Å; F330-L454 HydrophobicContact CZ-CB 3.93Å; I450-L454 HydrophobicContact CG2-CD1 3.44Å; I450-L454 VanDerWaalsContact CG2-CD1 3.44Å; I450-L454 HydrophobicContact CG2-CG 3.98Å; I450-L454 WeakPolarHBondContact O-CB 3.5Å; I450-L454 VanDerWaalsContact O-CG 3.27Å; I450-L454 WeakPolarHBondContact O-CG 2.88Å; I450-L454 PolarHBondContact O-N 3.39Å; L454-F456 VanDerWaalsContact C-N 3.34Å; L454-I457 PolarHBondContact O-N 3.45Å; L454-F458 WeakPolarHBondContact O-CB 3.37Å; L454-F458 PolarHBondContact O-N 3.39Å
455	F	97.1	Very high	94.6	Very high	13 Å²	13	67.4 Å²	67.4	6%	0.057	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-37.7	177.8	-173	-117.8	0	0	0	112	I269 V272 F330 F451 P452 V453 F458 N459	I269-F455 HydrophobicContact CG1-CE1 4.33Å; I269-F455 HydrophobicContact CG1-CZ 4.11Å; I269-F455 HydrophobicContact CG2-CE1 4.24Å; V272-F455 HydrophobicContact CB-CE1 4.11Å; V272-F455 HydrophobicContact CB-CE2 4.27Å; V272-F455 HydrophobicContact CB-CZ 3.93Å; V272-F455 HydrophobicContact CG1-CD1 3.9Å; V272-F455 HydrophobicContact CG1-CD2 3.92Å; V272-F455 HydrophobicContact CG1-CE1 3.89Å; V272-F455 HydrophobicContact CG1-CE2 3.93Å; V272-F455 HydrophobicContact CG1-CG 3.91Å; V272-F455 HydrophobicContact CG1-CZ 3.91Å; V272-F455 HydrophobicContact CG2-CE2 4.05Å; V272-F455 HydrophobicContact CG2-CZ 4Å; F330-F455 AromaticContact CD2-CD2 3.79Å; F330-F455 HydrophobicContact CD2-CD2 3.79Å; F330-F455 HydrophobicContact CD2-CE2 4.45Å; F330-F455 HydrophobicContact CE1-CB 4.19Å; F330-F455 HydrophobicContact CE2-CB 4.43Å; F330-F455 AromaticContact CE2-CD2 3.85Å; F330-F455 HydrophobicContact CE2-CD2 3.85Å; F330-F455 HydrophobicContact CG-CD2 4.3Å; F330-F455 HydrophobicContact CZ-CB 4.13Å; F330-F455 HydrophobicContact CZ-CD2 4.39Å; F451-F455 WeakPolarHBondContact O-CB 3.31Å; F451-F455 PolarHBondContact O-N 3.07Å; P452-F455 PolarHBondContact O-N 3.43Å; V453-F455 VanDerWaalsContact C-N 3.34Å; V453-F455 PolarHBondContact O-N 3.43Å; F455-F458 HydrophobicContact CD2-CD1 4.15Å; F455-F458 HydrophobicContact CE2-CD1 4.14Å; F455-F458 HydrophobicContact CE2-CE1 4.5Å; F455-F458 PolarHBondContact O-N 3.47Å; F455-N459 VanDerWaalsContact CE1-ND2 3.27Å; F455-N459 WeakPolarHBondContact CE1-ND2 3.28Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.48Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.35Å; F455-N459 PolarHBondContact O-N 2.99Å; F455-N459 PolarHBondContact O-ND2 3.44Å
456	F	96.4	Very high	94.8	Very high	140 Å²	140	63.4 Å²	63.4	61%	0.614	33%	0.332	S	S	*	.	H	α-helix	trans	-64.1	-46.8	174.7	-179.2	-98.3	0	0	0	112.1	P452 V453 L454 F458 N459 L460	P452-F456 WeakPolarHBondContact O-CB 3.42Å; P452-F456 PolarHBondContact O-N 2.93Å; V453-F456 PolarHBondContact O-N 2.95Å; L454-F456 VanDerWaalsContact C-N 3.34Å; F456-F458 VanDerWaalsContact C-N 3.3Å; F456-F458 PolarHBondContact O-N 3.36Å; F456-N459 PolarHBondContact O-N 2.95Å; F456-L460 HydrophobicContact CE1-CD1 4.17Å; F456-L460 HydrophobicContact CZ-CD1 4.41Å; F456-L460 PolarHBondContact O-N 3.03Å
457	I	97	Very high	94.7	Very high	101 Å²	101	63.4 Å²	63.4	52%	0.518	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-43.8	175.9	-68.2	166.7	0	0	0	110.5	V453 L454 L460 G461	V453-I457 HydrophobicContact CG1-CD1 3.86Å; V453-I457 VanDerWaalsContact O-CG1 3.31Å; V453-I457 WeakPolarHBondContact O-CG1 3.46Å; V453-I457 PolarHBondContact O-N 3.42Å; L454-I457 PolarHBondContact O-N 3.45Å; I457-L460 PolarHBondContact O-N 3.01Å; I457-G461 PolarHBondContact O-N 3.04Å
458	F	97.1	Very high	94.4	Very high	47 Å²	47	68.7 Å²	68.7	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-58.6	-49.4	175.4	166.4	-104.7	0	0	0	112	F323 V326 L454 F455 F456 L460 G461 Y462	F323-F458 AromaticContact CD2-CE1 3.7Å; F323-F458 HydrophobicContact CD2-CE1 3.7Å; F323-F458 AromaticContact CD2-CZ 3.9Å; F323-F458 HydrophobicContact CD2-CZ 3.9Å; F323-F458 AromaticContact CE2-CE1 3.77Å; F323-F458 HydrophobicContact CE2-CE1 3.77Å; F323-F458 HydrophobicContact CE2-CZ 4.42Å; V326-F458 HydrophobicContact CB-CD2 4.43Å; V326-F458 HydrophobicContact CB-CE1 3.96Å; V326-F458 HydrophobicContact CB-CE2 3.82Å; V326-F458 HydrophobicContact CB-CZ 3.55Å; V326-F458 HydrophobicContact CG1-CD1 3.77Å; V326-F458 HydrophobicContact CG1-CD2 3.76Å; V326-F458 HydrophobicContact CG1-CE1 3.65Å; V326-F458 HydrophobicContact CG1-CE2 3.65Å; V326-F458 HydrophobicContact CG1-CG 3.82Å; V326-F458 HydrophobicContact CG1-CZ 3.59Å; V326-F458 HydrophobicContact CG2-CD2 4.4Å; V326-F458 HydrophobicContact CG2-CE2 3.69Å; V326-F458 HydrophobicContact CG2-CZ 3.87Å; L454-F458 WeakPolarHBondContact O-CB 3.37Å; L454-F458 PolarHBondContact O-N 3.39Å; F455-F458 HydrophobicContact CD2-CD1 4.15Å; F455-F458 HydrophobicContact CE2-CD1 4.14Å; F455-F458 HydrophobicContact CE2-CE1 4.5Å; F455-F458 PolarHBondContact O-N 3.47Å; F456-F458 VanDerWaalsContact C-N 3.3Å; F456-F458 PolarHBondContact O-N 3.36Å; F458-L460 VanDerWaalsContact C-N 3.33Å; F458-L460 PolarHBondContact O-N 3.12Å; F458-G461 PolarHBondContact O-N 3.47Å; F458-Y462 HydrophobicContact CZ-CD2 4.26Å; F458-Y462 HydrophobicContact CZ-CG 4.47Å; F458-Y462 VanDerWaalsContact O-CB 3.28Å; F458-Y462 WeakPolarHBondContact O-CB 3.46Å; F458-Y462 PolarHBondContact O-N 3.49Å
459	N	96.6	Very high	93.7	Very high	21 Å²	21	71.2 Å²	71.2	11%	0.112	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-44.4	178.4	-85	-88.9	0	0	0	111.3	F323 F455 F456 G461 Y462 W463	F323-N459 WeakPolarHBondContact CE2-OD1 3.46Å; F455-N459 VanDerWaalsContact CE1-ND2 3.27Å; F455-N459 WeakPolarHBondContact CE1-ND2 3.28Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.48Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.35Å; F455-N459 PolarHBondContact O-N 2.99Å; F455-N459 PolarHBondContact O-ND2 3.44Å; F456-N459 PolarHBondContact O-N 2.95Å; N459-G461 PolarHBondContact O-N 3.14Å; N459-Y462 PolarHBondContact O-N 3.45Å; N459-W463 PolarHBondContact O-N 3.31Å
460	L	95.9	Very high	92.4	Very high	107 Å²	107	72.8 Å²	72.8	56%	0.56	38%	0.376	S	S	*	.	H	α-helix	trans	-60.6	-47	178.6	-168.1	150.6	0	0	0	111.1	F456 I457 F458 A464	F456-L460 HydrophobicContact CE1-CD1 4.17Å; F456-L460 HydrophobicContact CZ-CD1 4.41Å; F456-L460 PolarHBondContact O-N 3.03Å; I457-L460 PolarHBondContact O-N 3.01Å; F458-L460 VanDerWaalsContact C-N 3.33Å; F458-L460 PolarHBondContact O-N 3.12Å; L460-A464 WeakPolarHBondContact O-CB 3.38Å; L460-A464 PolarHBondContact O-N 3.39Å
461	G	95.9	Very high	90.9	Very high	32 Å²	32	70.1 Å²	70.1	33%	0.33	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.4	0	0	0	0	0	113	I457 F458 N459 T465	I457-G461 PolarHBondContact O-N 3.04Å; F458-G461 PolarHBondContact O-N 3.47Å; N459-G461 PolarHBondContact O-N 3.14Å; G461-T465 WeakPolarHBondContact O-CB 3.46Å; G461-T465 PolarHBondContact O-N 3.03Å; G461-T465 PolarHBondContact O-OG1 3.11Å
462	Y	95.7	Very high	89.1	Confident	13 Å²	13	72.6 Å²	72.6	5%	0.051	39%	0.39	C	S	.	.	H	α-helix	trans	-60.3	-56.8	178.9	179	-93.5	0	0	0	111.7	M182 Y265 A319 F323 F458 N459 A464 T465 Y466	M182-Y462 HydrophobicContact CE-CE1 4.11Å; Y265-Y462 AromaticContact CE1-CE1 3.7Å; Y265-Y462 HydrophobicContact CE1-CE1 3.7Å; Y265-Y462 AromaticContact CE1-CZ 3.97Å; Y265-Y462 PolarHBondContact OH-OH 2.87Å; A319-Y462 WeakPolarHBondContact O-CE2 3.32Å; A319-Y462 PolarHBondContact O-OH 3.29Å; F323-Y462 HydrophobicContact CB-CD2 4.38Å; F323-Y462 HydrophobicContact CB-CE1 4.39Å; F323-Y462 HydrophobicContact CB-CE2 3.76Å; F323-Y462 AromaticContact CD2-CD1 3.73Å; F323-Y462 HydrophobicContact CD2-CD1 3.73Å; F323-Y462 HydrophobicContact CD2-CD2 4.06Å; F323-Y462 AromaticContact CD2-CE1 3.79Å; F323-Y462 HydrophobicContact CD2-CE1 3.79Å; F323-Y462 HydrophobicContact CD2-CE2 4.11Å; F323-Y462 AromaticContact CD2-CG 3.88Å; F323-Y462 HydrophobicContact CD2-CG 3.88Å; F323-Y462 AromaticContact CD2-CZ 3.99Å; F323-Y462 HydrophobicContact CE2-CD1 4.22Å; F323-Y462 HydrophobicContact CG-CE1 4.36Å; F323-Y462 HydrophobicContact CG-CE2 4.41Å; F458-Y462 HydrophobicContact CZ-CD2 4.26Å; F458-Y462 HydrophobicContact CZ-CG 4.47Å; F458-Y462 VanDerWaalsContact O-CB 3.28Å; F458-Y462 WeakPolarHBondContact O-CB 3.46Å; F458-Y462 PolarHBondContact O-N 3.49Å; N459-Y462 PolarHBondContact O-N 3.45Å; Y462-A464 PolarHBondContact O-N 3.03Å; Y462-T465 PolarHBondContact O-N 3.37Å; Y462-Y466 AromaticContact CD2-CD2 3.72Å; Y462-Y466 HydrophobicContact CD2-CD2 3.72Å; Y462-Y466 AromaticContact CD2-CE2 3.69Å; Y462-Y466 HydrophobicContact CD2-CE2 3.69Å; Y462-Y466 HydrophobicContact CE1-CD2 4.34Å; Y462-Y466 AromaticContact CE2-CD2 3.49Å; Y462-Y466 HydrophobicContact CE2-CD2 3.49Å; Y462-Y466 VanDerWaalsContact CE2-CD2 3.49Å; Y462-Y466 AromaticContact CE2-CE2 3.4Å; Y462-Y466 HydrophobicContact CE2-CE2 3.4Å; Y462-Y466 HydrophobicContact CG-CD2 4.24Å; Y462-Y466 AromaticContact CZ-CD2 3.82Å; Y462-Y466 WeakPolarHBondContact O-CD2 3.36Å; Y462-Y466 PolarHBondContact O-N 3Å; Y462-Y466 VanDerWaalsContact O-N 3.07Å
463	W	94.7	Very high	87.2	Confident	67 Å²	67	72.2 Å²	72.2	25%	0.254	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-40.7	-177.7	-71	112.2	0	0	0	111.6	M182 V261 Y265 N459 T465 V467	M182-W463 HydrophobicContact CE-CZ3 4.42Å; M182-W463 HydrophobicContact SD-CE3 4.36Å; M182-W463 HydrophobicContact SD-CZ3 4.14Å; V261-W463 HydrophobicContact CG2-CH2 4.22Å; Y265-W463 AromaticContact CD1-CH2 3.97Å; Y265-W463 HydrophobicContact CD1-CH2 3.97Å; Y265-W463 AromaticContact CD1-CZ2 3.67Å; Y265-W463 HydrophobicContact CD1-CZ2 3.67Å; Y265-W463 HydrophobicContact CD2-CH2 4.06Å; Y265-W463 HydrophobicContact CD2-CZ2 4.43Å; Y265-W463 HydrophobicContact CE1-CH2 4.13Å; Y265-W463 HydrophobicContact CE1-CZ2 4.12Å; Y265-W463 HydrophobicContact CE2-CH2 4.22Å; Y265-W463 AromaticContact CG-CH2 3.95Å; Y265-W463 HydrophobicContact CG-CH2 3.95Å; Y265-W463 AromaticContact CG-CZ2 3.86Å; Y265-W463 HydrophobicContact CG-CZ2 3.86Å; N459-W463 PolarHBondContact O-N 3.31Å; W463-T465 VanDerWaalsContact C-N 3.26Å; W463-T465 PolarHBondContact O-N 3.03Å; W463-V467 HydrophobicContact CE3-CG2 3.83Å; W463-V467 WeakPolarHBondContact O-CB 3.45Å; W463-V467 VanDerWaalsContact O-CG2 3.24Å; W463-V467 WeakPolarHBondContact O-CG2 3.35Å; W463-V467 PolarHBondContact O-N 3.13Å
464	A	93.6	Very high	85	Confident	45 Å²	45	73 Å²	73	37%	0.372	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-33.7	176.8	0	0	0	0	0	112.6	L460 Y462 N468	L460-A464 WeakPolarHBondContact O-CB 3.38Å; L460-A464 PolarHBondContact O-N 3.39Å; Y462-A464 PolarHBondContact O-N 3.03Å; A464-N468 VanDerWaalsContact O-CB 3.3Å; A464-N468 WeakPolarHBondContact O-CB 3.5Å; A464-N468 PolarHBondContact O-ND2 3.44Å
465	T	92.7	Very high	82.5	Confident	88 Å²	88	75.2 Å²	75.2	54%	0.54	39%	0.39	S	S	.	.	H	α-helix	trans	-74.9	-52.3	-179.8	-56.8	0	0	0	0	111.3	G461 Y462 W463 R469	G461-T465 WeakPolarHBondContact O-CB 3.46Å; G461-T465 PolarHBondContact O-N 3.03Å; G461-T465 PolarHBondContact O-OG1 3.11Å; Y462-T465 PolarHBondContact O-N 3.37Å; W463-T465 VanDerWaalsContact C-N 3.26Å; W463-T465 PolarHBondContact O-N 3.03Å; T465-R469 PolarHBondContact O-N 2.7Å
466	Y	90.4	Very high	80	Confident	42 Å²	42	77.5 Å²	77.5	17%	0.165	41%	0.411	C	S	.	.	H	α-helix	trans	-81.5	-31.5	-171.3	-73.8	-74.5	0	0	0	114.1	D179 M182 A319 Y462	D179-Y466 WeakPolarHBondContact OD1-CE1 3.32Å; M182-Y466 HydrophobicContact CE-CG 3.94Å; M182-Y466 VanDerWaalsContact SD-CB 3.57Å; A319-Y466 HydrophobicContact CB-CD1 3.68Å; A319-Y466 HydrophobicContact CB-CD2 4.35Å; A319-Y466 HydrophobicContact CB-CE1 3.26Å; A319-Y466 HydrophobicContact CB-CE2 3.99Å; A319-Y466 HydrophobicContact CB-CG 4.21Å; A319-Y466 VanDerWaalsContact CB-CZ 3.42Å; Y462-Y466 AromaticContact CD2-CD2 3.72Å; Y462-Y466 HydrophobicContact CD2-CD2 3.72Å; Y462-Y466 AromaticContact CD2-CE2 3.69Å; Y462-Y466 HydrophobicContact CD2-CE2 3.69Å; Y462-Y466 HydrophobicContact CE1-CD2 4.34Å; Y462-Y466 AromaticContact CE2-CD2 3.49Å; Y462-Y466 HydrophobicContact CE2-CD2 3.49Å; Y462-Y466 VanDerWaalsContact CE2-CD2 3.49Å; Y462-Y466 AromaticContact CE2-CE2 3.4Å; Y462-Y466 HydrophobicContact CE2-CE2 3.4Å; Y462-Y466 HydrophobicContact CG-CD2 4.24Å; Y462-Y466 AromaticContact CZ-CD2 3.82Å; Y462-Y466 WeakPolarHBondContact O-CD2 3.36Å; Y462-Y466 PolarHBondContact O-N 3Å; Y462-Y466 VanDerWaalsContact O-N 3.07Å
467	V	87.8	Confident	77.6	Confident	91 Å²	91	75.5 Å²	75.5	55%	0.552	41%	0.407	S	S	*	.	H	α-helix	trans	-72.5	-35.7	177.6	176.7	0	0	0	0	111.6	M182 W463 R469	M182-V467 HydrophobicContact SD-CG2 3.89Å; W463-V467 HydrophobicContact CE3-CG2 3.83Å; W463-V467 WeakPolarHBondContact O-CB 3.45Å; W463-V467 VanDerWaalsContact O-CG2 3.24Å; W463-V467 WeakPolarHBondContact O-CG2 3.35Å; W463-V467 PolarHBondContact O-N 3.13Å; V467-R469 VanDerWaalsContact C-N 3.32Å
468	N	85.7	Confident	74.6	Confident	120 Å²	120	77.1 Å²	77.1	64%	0.642	42%	0.417	S	S	*	.	S	Bend	trans	-85	-6.5	180	-66.1	-42.2	0	0	0	113.3	A464 K470	A464-N468 VanDerWaalsContact O-CB 3.3Å; A464-N468 WeakPolarHBondContact O-CB 3.5Å; A464-N468 PolarHBondContact O-ND2 3.44Å; N468-K470 PolarHBondContact O-N 3.46Å
469	R	79.6	Confident	71.7	Confident	129 Å²	129	81.9 Å²	81.9	49%	0.487	44%	0.444	S	S	.	.			trans	-66.6	104.7	177.7	-161.1	172	-177.9	172.4	-0.4	108.4	D179 T465 V467	D179-R469 WeakPolarHBondContact OD1-CD 3.44Å; D179-R469 IonicContact OD1-CZ 2.85Å; D179-R469 IonicContact OD1-NE 2.93Å; D179-R469 IonicContact OD1-NH1 3.45Å; D179-R469 PolarHBondContact OD1-NH1 2.91Å; D179-R469 WeakPolarHBondContact OD2-CD 3.45Å; D179-R469 IonicContact OD2-CZ 2.93Å; D179-R469 IonicContact OD2-NE 3.75Å; D179-R469 PolarHBondContact OD2-NE 3.4Å; D179-R469 IonicContact OD2-NH1 3.55Å; T465-R469 PolarHBondContact O-N 2.7Å; V467-R469 VanDerWaalsContact C-N 3.32Å
470	K	66.4	Low	68.5	Low	148 Å²	148	91.2 Å²	91.2	64%	0.643	49%	0.494	S	S	*	.			trans	-63.3	127.9	172.2	-69.5	-173	-179.9	-177.1	0	108	N468 A472	N468-K470 PolarHBondContact O-N 3.46Å; K470-A472 PolarHBondContact O-N 3.27Å
471	P	63.8	Low	67.1	Low	25 Å²	25	90.5 Å²	90.5	16%	0.162	49%	0.491	C	S	.	.			trans	-59.4	137.5	177.6	22.9	-30.8	0	0	0	109.1	A184 I473 M474	A184-P471 HydrophobicContact CB-CB 3.61Å; A184-P471 HydrophobicContact CB-CG 4.05Å; P471-I473 PolarHBondContact O-N 3.42Å; P471-M474 HydrophobicContact CG-CB 4.44Å; P471-M474 HydrophobicContact CG-CG 4.04Å; P471-M474 HydrophobicContact CG-SD 3.89Å; P471-M474 PolarHBondContact O-N 3.48Å
472	A	56.4	Low	65.6	Low	82 Å²	82	93.5 Å²	93.5	68%	0.678	50%	0.499	S	S	*	.	H	α-helix	trans	-52.4	-28.6	-176.3	0	0	0	0	0	112.6	K470 M474 K475 A476	K470-A472 PolarHBondContact O-N 3.27Å; A472-M474 VanDerWaalsContact C-N 3.32Å; A472-M474 PolarHBondContact O-N 2.65Å; A472-K475 WeakPolarHBondContact O-CB 3.45Å; A472-K475 PolarHBondContact O-N 3.2Å; A472-A476 PolarHBondContact O-N 3.35Å
473	I	55.7	Low	63.9	Low	41 Å²	41	98 Å²	98	21%	0.21	52%	0.524	C	S	.	.	H	α-helix	trans	-65	-31.7	179.6	-50.4	161.7	0	0	0	112.8	A184 A186 H252 P471 K475	A184-I473 HydrophobicContact CB-CD1 4.48Å; A184-I473 VanDerWaalsContact O-CD1 3.29Å; A184-I473 WeakPolarHBondContact O-CD1 3.13Å; A186-I473 HydrophobicContact CB-CD1 3.99Å; A186-I473 HydrophobicContact CB-CG1 4.39Å; A186-I473 HydrophobicContact CB-CG2 4.22Å; H252-I473 WeakPolarHBondContact CE1-CG2 3.32Å; H252-I473 WeakPolarHBondContact ND1-CG2 3.36Å; P471-I473 PolarHBondContact O-N 3.42Å; I473-K475 VanDerWaalsContact C-N 3.31Å
474	M	49	Very low	62.1	Low	92 Å²	92	99.8 Å²	99.8	45%	0.453	54%	0.54	S	S	.	.	H	α-helix	trans	-77.5	-14.8	174.1	-75.9	179.9	170.3	0	0	113.3	L228 P471 A472 N478	L228-M474 HydrophobicContact CD1-CE 4.13Å; P471-M474 HydrophobicContact CG-CB 4.44Å; P471-M474 HydrophobicContact CG-CG 4.04Å; P471-M474 HydrophobicContact CG-SD 3.89Å; P471-M474 PolarHBondContact O-N 3.48Å; A472-M474 VanDerWaalsContact C-N 3.32Å; A472-M474 PolarHBondContact O-N 2.65Å; M474-N478 PolarHBondContact O-ND2 2.96Å
475	K	44.3	Very low	60.1	Low	135 Å²	135	103.3 Å²	103.3	59%	0.587	55%	0.55	S	S	*	*	H	α-helix	trans	-80	-33.9	175	-71.3	-177.2	177	179.3	0	111.8	A472 I473 N478	A472-K475 WeakPolarHBondContact O-CB 3.45Å; A472-K475 PolarHBondContact O-N 3.2Å; I473-K475 VanDerWaalsContact C-N 3.31Å; K475-N478 PolarHBondContact O-N 3.38Å
476	A	46.3	Very low	58	Low	61 Å²	61	104.3 Å²	104.3	50%	0.504	55%	0.551	S	S	.	*	H	α-helix	trans	-65.7	-37.2	177.8	0	0	0	0	0	112.5	A472 N478 L479	A472-A476 PolarHBondContact O-N 3.35Å; A476-N478 VanDerWaalsContact C-N 3.25Å; A476-N478 PolarHBondContact O-N 3.15Å; A476-L479 PolarHBondContact O-N 3.41Å
477	N	44.4	Very low	55.7	Low	98 Å²	98	108.7 Å²	108.7	52%	0.524	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-6.8	177.8	-69.9	1.7	0	0	0	114.5
478	N	35	Very low	53.2	Low	136 Å²	136	110.1 Å²	110.1	73%	0.727	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	7.4	175.8	-77.9	-61.3	0	0	0	112.8	M474 K475 A476	M474-N478 PolarHBondContact O-ND2 2.96Å; K475-N478 PolarHBondContact O-N 3.38Å; A476-N478 VanDerWaalsContact C-N 3.25Å; A476-N478 PolarHBondContact O-N 3.15Å
479	L	35.2	Very low	50.5	Low	146 Å²	146	109.3 Å²	109.3	76%	0.764	58%	0.576	S	S	*	*			trans	-112	7.9	178.4	-83.8	162.2	0	0	0	113.2	A476	A476-L479 PolarHBondContact O-N 3.41Å
480	N	29.8	Very low	47.8	Very low	218 Å²	218	107.5 Å²	107.5	100%	1.166	58%	0.584	S	S	*	*			trans	-113.5	0	168.7	-78.4	-7.6	0	0	0	110.6

Retrieved 480 of 480 residues in 184.3 ms (Link to these results)

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