A0A087XV11_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087XV11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	36.8	Very low	241 Å²	241	177.4 Å²	177.4	100%	1.187	88%	0.882	S	S	*	*				0	110.4	0	-75.3	164.2	171.8	0	0	106.9
2	K	36.6	Very low	37.3	Very low	217 Å²	217	182.2 Å²	182.2	94%	0.943	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-96.8	124	-174.7	-77	177.2	173.4	179.2	0	107.9
3	N	33	Very low	37.8	Very low	160 Å²	160	174.9 Å²	174.9	86%	0.856	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-85.9	144.8	177.8	-80.5	-12.7	0	0	0	111.1
4	C	34.1	Very low	37.9	Very low	130 Å²	130	174.2 Å²	174.2	88%	0.878	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-56.3	135.7	170.9	-74.1	0	0	0	0	112.5
5	E	33.8	Very low	37.7	Very low	198 Å²	198	169.9 Å²	169.9	93%	0.925	86%	0.863	S	S	*	*			trans	-136.4	142.5	142.6	-95.6	-171.5	141.8	0	0	109.9
6	Y	31.5	Very low	37.7	Very low	230 Å²	230	167.9 Å²	167.9	90%	0.902	86%	0.861	S	S	*	*			trans	-86.3	128.2	-170.3	-156.9	-100.2	0	0	0	108.7
7	Q	37.5	Very low	37.6	Very low	190 Å²	190	163.9 Å²	163.9	89%	0.888	85%	0.852	S	S	*	*			trans	-126.2	129.6	173.5	-112.2	178.5	-11.4	0	0	110.7
8	Q	41.9	Very low	37.6	Very low	178 Å²	178	161.6 Å²	161.6	83%	0.832	85%	0.849	S	S	*	*			trans	-102	124.3	-170.6	176.6	-172.7	-5.3	0	0	110.1
9	I	39.6	Very low	37.6	Very low	156 Å²	156	162.3 Å²	162.3	80%	0.8	85%	0.852	S	S	*	*			trans	-151.7	106	170.2	-56.2	-176.9	0	0	0	109.8
10	D	38.5	Very low	37.5	Very low	119 Å²	119	159.9 Å²	159.9	64%	0.636	85%	0.85	S	S	*	*				89.6	109.1	106.7	-159.9	-14.3	0	0	0	116	R12	D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.23Å; D10-R12 VanDerWaalsContact O-N 3.1Å
11	P	41.8	Very low	37.6	Very low	132 Å²	132	156.1 Å²	156.1	86%	0.857	84%	0.841	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	40.6	-170.6	32.5	-30.3	0	0	0	115.8
12	R	42.8	Very low	37.7	Very low	235 Å²	235	153.8 Å²	153.8	89%	0.887	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	11.8	177.8	-92	-175.4	176.1	173.4	0.7	116.9	D10	D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.23Å; D10-R12 VanDerWaalsContact O-N 3.1Å
13	A	44	Very low	37.7	Very low	88 Å²	88	150.4 Å²	150.4	73%	0.727	82%	0.819	S	S	*	*			trans	-111.7	96.1	170.6	0	0	0	0	0	110.5
14	L	39.7	Very low	38.2	Very low	165 Å²	165	148.5 Å²	148.5	86%	0.864	82%	0.816	S	S	*	*			trans	165.4	108.2	130.7	-83.9	165.2	0	0	0	108.9	V16	L14-V16 PolarHBondContact O-N 3.35Å
15	S	35.2	Very low	38.8	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	81%	0.81	S	S	*	*			trans	-54.4	126.1	173.9	50	0	0	0	0	111.9	S17	S15-S17 PolarHBondContact O-N 3.28Å
16	V	37.7	Very low	39.3	Very low	137 Å²	137	145.4 Å²	145.4	83%	0.83	80%	0.804	S	S	*	*			trans	-72.8	109.4	167.3	-178.6	0	0	0	0	108.1	L14	L14-V16 PolarHBondContact O-N 3.35Å
17	S	34.9	Very low	40.1	Very low	101 Å²	101	143.8 Å²	143.8	71%	0.706	80%	0.802	S	S	*	*			trans	-65.4	133.6	165	-69	0	0	0	0	109.2	S15 L19	S15-S17 PolarHBondContact O-N 3.28Å; S17-L19 PolarHBondContact O-N 3.28Å
18	P	37.4	Very low	40.8	Very low	122 Å²	122	143.3 Å²	143.3	79%	0.792	80%	0.797	S	S	*	*			trans	-64.4	135.2	178	-4.6	15.5	0	0	0	110	S20	P18-S20 PolarHBondContact O-N 3.31Å
19	L	38.7	Very low	41.7	Very low	174 Å²	174	141.4 Å²	141.4	91%	0.911	80%	0.797	S	S	*	*			trans	-41	109.6	165.4	-85.3	122.5	0	0	0	110.1	S17 A21	S17-L19 PolarHBondContact O-N 3.28Å; L19-A21 PolarHBondContact O-N 3.25Å
20	S	35.6	Very low	43	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	79%	0.793	S	S	*	*			trans	-60.2	124.1	163.9	-177	0	0	0	0	107.7	P18 Q22	P18-S20 PolarHBondContact O-N 3.31Å; S20-Q22 PolarHBondContact O-N 3.44Å
21	A	38.8	Very low	45.1	Very low	80 Å²	80	144.1 Å²	144.1	66%	0.661	80%	0.795	S	S	*	*			trans	-42.7	126.7	-179.6	0	0	0	0	0	112	L19 N23	L19-A21 PolarHBondContact O-N 3.25Å; A21-N23 PolarHBondContact O-N 2.85Å
22	Q	39.7	Very low	47.1	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	78%	0.78	S	S	*	*			trans	-60.1	109.4	157.2	-76.3	177.4	-12.9	0	0	107	S20	S20-Q22 PolarHBondContact O-N 3.44Å
23	N	36.4	Very low	49.3	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	76%	0.756	S	S	*	*			trans	-51.2	130.8	165.2	-79.3	-35.6	0	0	0	107.9	A21 A25	A21-N23 PolarHBondContact O-N 2.85Å; N23-A25 PolarHBondContact O-N 2.83Å
24	P	42.2	Very low	51.5	Low	119 Å²	119	134.3 Å²	134.3	77%	0.773	73%	0.733	S	S	*	*			trans	-57.9	119.5	167.7	-8.6	21.7	0	0	0	105.7	E26	P24-E26 PolarHBondContact O-N 3.13Å
25	A	47.3	Very low	54	Low	91 Å²	91	130 Å²	130	75%	0.752	71%	0.707	S	S	*	*			trans	-48.8	112.9	173.3	0	0	0	0	0	107.5	N23 K27	N23-A25 PolarHBondContact O-N 2.83Å; A25-K27 VanDerWaalsContact C-N 3.3Å; A25-K27 PolarHBondContact O-N 3.35Å
26	E	44.3	Very low	56.8	Low	173 Å²	173	127.9 Å²	127.9	81%	0.808	68%	0.682	S	S	*	*			trans	-52.7	105	165.8	-83.9	-175.2	150.6	0	0	105.6	P24 K28	P24-E26 PolarHBondContact O-N 3.13Å; E26-K28 PolarHBondContact O-N 2.95Å
27	K	48.6	Very low	59.3	Low	196 Å²	196	124 Å²	124	85%	0.852	66%	0.655	S	S	*	*			trans	-61.2	91.6	163.8	-78.8	-176.1	177.4	-179	0	104.7	A25 V29	A25-K27 VanDerWaalsContact C-N 3.3Å; A25-K27 PolarHBondContact O-N 3.35Å; K27-V29 VanDerWaalsContact C-N 3.32Å; K27-V29 PolarHBondContact O-N 3.33Å
28	K	52.8	Low	62	Low	180 Å²	180	121.5 Å²	121.5	78%	0.783	64%	0.64	S	S	*	*			trans	-52.4	107	164.9	-83.9	-175.2	177.3	177.8	0	105	E26 Q30	E26-K28 PolarHBondContact O-N 2.95Å; K28-Q30 VanDerWaalsContact C-N 3.27Å; K28-Q30 PolarHBondContact O-N 3.03Å
29	V	59.3	Low	64.7	Low	137 Å²	137	117.4 Å²	117.4	83%	0.83	61%	0.61	S	S	*	*			trans	-59.1	99.2	175.2	177.9	0	0	0	0	105.3	K27 R31	K27-V29 VanDerWaalsContact C-N 3.32Å; K27-V29 PolarHBondContact O-N 3.33Å; V29-R31 PolarHBondContact O-N 3.31Å; V29-R31 VanDerWaalsContact O-N 3.15Å
30	Q	67.6	Low	67.1	Low	155 Å²	155	112.4 Å²	112.4	72%	0.724	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-62.9	122.1	178.9	-86.2	-179.3	-4.6	0	0	106.8	K28	K28-Q30 VanDerWaalsContact C-N 3.27Å; K28-Q30 PolarHBondContact O-N 3.03Å
31	R	82	Confident	69.8	Low	178 Å²	178	107.9 Å²	107.9	67%	0.672	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.9	175.7	-174.7	-177.6	85.6	-175.1	5.5	108.1	V29 R33 E37	V29-R31 PolarHBondContact O-N 3.31Å; V29-R31 VanDerWaalsContact O-N 3.15Å; R31-R33 PolarHBondContact O-N 2.94Å; R31-E37 IonicContact NH2-OE1 2.9Å; R31-E37 PolarHBondContact NH2-OE1 3.27Å
32	P	84.1	Confident	72.6	Confident	84 Å²	84	108.6 Å²	108.6	55%	0.545	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-52.1	118.1	172.2	-26.1	34	0	0	0	109.8	F324	P32-F324 HydrophobicContact CB-CD1 3.55Å; P32-F324 HydrophobicContact CB-CE1 3.8Å; P32-F324 HydrophobicContact CB-CG 4.35Å
33	R	88.9	Confident	75.2	Confident	103 Å²	103	100 Å²	100	39%	0.389	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-84.2	141.8	179.9	-71.2	-176.2	66.9	-168.9	-0.8	110.1	R31 E37 F324 L325	R31-R33 PolarHBondContact O-N 2.94Å; R33-E37 VanDerWaalsContact CA-OE2 3.32Å; R33-E37 WeakPolarHBondContact CA-OE2 3.29Å; R33-E37 WeakPolarHBondContact CB-OE2 3.43Å; R33-E37 IonicContact NE-OE2 3.93Å; R33-E37 PolarHBondContact NH2-O 3.49Å; R33-F324 WeakPolarHBondContact O-CA 3.47Å; R33-L325 HydrophobicContact CB-CD1 4Å; R33-L325 PolarHBondContact O-N 2.91Å
34	R	91.6	Very high	78	Confident	62 Å²	62	99.2 Å²	99.2	23%	0.234	49%	0.494	C	S	.	.	B	Isolated β-bridge	trans	-81.7	146.8	175.2	-67.5	-77.6	-163	-158	-13.2	109.5	W36 E37 D48 R322 G323	R34-W36 VanDerWaalsContact CB-CD1 3.42Å; R34-W36 HydrophobicContact CB-CG 4.21Å; R34-W36 PolarHBondContact O-N 3.42Å; R34-E37 HydrophobicContact CB-CG 4.18Å; R34-E37 PolarHBondContact N-OE2 2.86Å; R34-E37 WeakPolarHBondContact O-CB 3.37Å; R34-E37 PolarHBondContact O-N 3.23Å; R34-D48 IonicContact NE-OD1 3.59Å; R34-D48 PolarHBondContact NE-OD1 3.34Å; R34-R322 WeakPolarHBondContact CD-O 3.32Å; R34-R322 PolarHBondContact NH1-O 3.28Å; R34-G323 WeakPolarHBondContact CA-O 3.47Å
35	K	92.2	Very high	80.5	Confident	74 Å²	74	94.7 Å²	94.7	32%	0.322	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.9	178	-75.7	176.2	178.4	175.3	0	113.2	E37 A38 F39 D320 G323 F324 L325	K35-E37 PolarHBondContact O-N 2.96Å; K35-A38 CarbonylContact O-C 3.52Å; K35-A38 PolarHBondContact O-N 3.41Å; K35-F39 PolarHBondContact O-N 2.59Å; K35-F39 VanDerWaalsContact O-N 3.12Å; K35-D320 WeakPolarHBondContact CB-O 3.34Å; K35-D320 HydrophobicContact CD-CB 4.18Å; K35-D320 WeakPolarHBondContact CD-O 3.33Å; K35-D320 IonicContact NZ-OD2 3.54Å; K35-D320 PolarHBondContact NZ-OD2 3.33Å; K35-G323 PolarHBondContact N-O 3.46Å; K35-F324 WeakPolarHBondContact CE-O 3.34Å; K35-L325 HydrophobicContact CG-CD2 3.81Å; K35-L325 HydrophobicContact CG-CG 4.1Å
36	W	92.2	Very high	82.7	Confident	65 Å²	65	94.6 Å²	94.6	25%	0.246	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-64	-26.2	175.6	71.5	-100.9	0	0	0	113.7	R34 A38 F45 D48 R321	R34-W36 VanDerWaalsContact CB-CD1 3.42Å; R34-W36 HydrophobicContact CB-CG 4.21Å; R34-W36 PolarHBondContact O-N 3.42Å; W36-A38 VanDerWaalsContact C-N 3.28Å; W36-A38 PolarHBondContact O-N 2.72Å; W36-F45 HydrophobicContact CB-CB 4.27Å; W36-F45 HydrophobicContact CB-CD1 4.12Å; W36-F45 HydrophobicContact CB-CD2 4.08Å; W36-F45 HydrophobicContact CB-CE2 4.49Å; W36-F45 HydrophobicContact CB-CG 3.87Å; W36-F45 HydrophobicContact CD2-CB 4.08Å; W36-F45 HydrophobicContact CE3-CB 3.59Å; W36-F45 HydrophobicContact CE3-CD2 4.3Å; W36-F45 HydrophobicContact CE3-CG 4.2Å; W36-F45 HydrophobicContact CG-CB 4.39Å; W36-F45 HydrophobicContact CZ3-CB 4.26Å; W36-D48 PolarHBondContact NE1-OD1 2.97Å; W36-R321 HydrophobicContact CB-CB 4.28Å; W36-R321 WeakPolarHBondContact CB-O 3.39Å; W36-R321 VanDerWaalsContact CD1-O 3.25Å; W36-R321 PolarHBondContact N-O 2.8Å
37	E	91.7	Very high	85.1	Confident	55 Å²	55	90.4 Å²	90.4	26%	0.257	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-74.7	-18.5	178.6	-63.2	174.7	151	0	0	112.7	R31 R33 R34 K35	R31-E37 IonicContact NH2-OE1 2.9Å; R31-E37 PolarHBondContact NH2-OE1 3.27Å; R33-E37 VanDerWaalsContact CA-OE2 3.32Å; R33-E37 WeakPolarHBondContact CA-OE2 3.29Å; R33-E37 WeakPolarHBondContact CB-OE2 3.43Å; R33-E37 IonicContact NE-OE2 3.93Å; R33-E37 PolarHBondContact NH2-O 3.49Å; R34-E37 HydrophobicContact CB-CG 4.18Å; R34-E37 PolarHBondContact N-OE2 2.86Å; R34-E37 WeakPolarHBondContact O-CB 3.37Å; R34-E37 PolarHBondContact O-N 3.23Å; K35-E37 PolarHBondContact O-N 2.96Å
38	A	90.7	Very high	87.1	Confident	49 Å²	49	83.8 Å²	83.8	41%	0.405	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-120.6	20.9	176.6	0	0	0	0	0	111.7	K35 W36 L325	K35-A38 CarbonylContact O-C 3.52Å; K35-A38 PolarHBondContact O-N 3.41Å; W36-A38 VanDerWaalsContact C-N 3.28Å; W36-A38 PolarHBondContact O-N 2.72Å; A38-L325 HydrophobicContact CB-CD1 3.63Å
39	F	93.6	Very high	88.9	Confident	37 Å²	37	75.2 Å²	75.2	16%	0.162	37%	0.37	C	S	.	.			trans	-62.3	126.5	-176.2	-175.3	-106.6	0	0	0	110.5	K35 G41 N43 F45 I115 N179 I319	K35-F39 PolarHBondContact O-N 2.59Å; K35-F39 VanDerWaalsContact O-N 3.12Å; F39-G41 PolarHBondContact O-N 3.29Å; F39-N43 HydrophobicContact CE1-CB 4.36Å; F39-F45 HydrophobicContact CB-CE2 3.59Å; F39-F45 HydrophobicContact CB-CZ 4.01Å; F39-F45 AromaticContact CD1-CE2 3.53Å; F39-F45 HydrophobicContact CD1-CE2 3.53Å; F39-F45 AromaticContact CD1-CZ 3.5Å; F39-F45 HydrophobicContact CD1-CZ 3.5Å; F39-F45 HydrophobicContact CD2-CZ 4.13Å; F39-F45 HydrophobicContact CE1-CE2 4.32Å; F39-F45 AromaticContact CE1-CZ 3.89Å; F39-F45 HydrophobicContact CE1-CZ 3.89Å; F39-F45 AromaticContact CG-CE2 3.65Å; F39-F45 HydrophobicContact CG-CE2 3.65Å; F39-F45 AromaticContact CG-CZ 3.61Å; F39-F45 HydrophobicContact CG-CZ 3.61Å; F39-F45 HydrophobicContact CZ-CZ 4.37Å; F39-I115 HydrophobicContact CE1-CD1 4.35Å; F39-I115 HydrophobicContact CZ-CD1 4.07Å; F39-I115 HydrophobicContact CZ-CG2 3.97Å; F39-N179 WeakPolarHBondContact CE1-ND2 3.48Å; F39-I319 HydrophobicContact CE2-CB 4.3Å; F39-I319 HydrophobicContact CE2-CD1 3.9Å; F39-I319 HydrophobicContact CE2-CG2 4.01Å; F39-I319 HydrophobicContact CZ-CD1 4.02Å
40	P	89.1	Confident	90.4	Very high	69 Å²	69	75.6 Å²	75.6	45%	0.448	36%	0.357	S	S	.	.	S	Bend	trans	-76.3	23.6	-168	30.4	-36.7	0	0	0	114.6	R118	P40-R118 HydrophobicContact CG-CG 4.2Å; P40-R118 PolarHBondContact O-NE 2.77Å; P40-R118 PolarHBondContact O-NH1 3.09Å; P40-R118 PolarHBondContact O-NH2 2.94Å
41	G	93.7	Very high	91.7	Very high	20 Å²	20	70.6 Å²	70.6	21%	0.206	34%	0.335	C	S	.	.	S	Bend	trans	-125.6	-177.2	179.9	0	0	0	0	0	113.5	F39	F39-G41 PolarHBondContact O-N 3.29Å
42	K	95.9	Very high	92.3	Very high	94 Å²	94	62.1 Å²	62.1	41%	0.409	30%	0.303	S	S	.	.	S	Bend	trans	-90.7	3.1	-179.7	-66.7	174.6	-173.5	167.4	0	113.5	R55 S175 L176 C177 D178	K42-R55 HydrophobicContact CB-CB 4.39Å; K42-R55 WeakPolarHBondContact O-CB 3.28Å; K42-S175 PolarHBondContact NZ-O 3.34Å; K42-L176 WeakPolarHBondContact CD-O 3.4Å; K42-C177 PolarHBondContact N-O 3.33Å; K42-D178 HydrophobicContact CB-CB 4.31Å; K42-D178 HydrophobicContact CD-CB 3.91Å; K42-D178 HydrophobicContact CG-CB 3.77Å
43	N	95.9	Very high	92.8	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.07	28%	0.28	C	S	.	.			trans	-65.1	145.8	178.2	-74.2	93.1	0	0	0	111.9	F39 F45 I52 L53 N179	F39-N43 HydrophobicContact CE1-CB 4.36Å; N43-F45 HydrophobicContact CB-CE2 4.23Å; N43-F45 HydrophobicContact CB-CZ 4.17Å; N43-I52 HydrophobicContact CB-CD1 3.98Å; N43-I52 HydrophobicContact CB-CG1 3.85Å; N43-L53 CarbonylContact C-O 3.51Å; N43-L53 VanDerWaalsContact CA-O 3.23Å; N43-L53 WeakPolarHBondContact CA-O 3.09Å; N43-L53 WeakPolarHBondContact CB-O 3.49Å; N43-L53 PolarHBondContact ND2-O 3.21Å; N43-N179 PolarHBondContact OD1-ND2 2.83Å
44	R	94.8	Very high	93.1	Very high	130 Å²	130	53.8 Å²	53.8	49%	0.491	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140	171.8	-66	-171.1	177.9	-168.7	1.2	109.7	F46 I52 L53	R44-F46 HydrophobicContact CB-CE2 3.74Å; R44-F46 HydrophobicContact CB-CZ 4.04Å; R44-I52 WeakPolarHBondContact O-CA 3.27Å; R44-L53 PolarHBondContact N-O 3.43Å; R44-L53 PolarHBondContact O-N 2.87Å
45	F	95	Very high	93.2	Very high	23 Å²	23	58.3 Å²	58.3	10%	0.101	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.9	-179.4	-63.5	-82	0	0	0	110.7	W36 F39 N43 L51 I52 R321	W36-F45 HydrophobicContact CB-CB 4.27Å; W36-F45 HydrophobicContact CB-CD1 4.12Å; W36-F45 HydrophobicContact CB-CD2 4.08Å; W36-F45 HydrophobicContact CB-CE2 4.49Å; W36-F45 HydrophobicContact CB-CG 3.87Å; W36-F45 HydrophobicContact CD2-CB 4.08Å; W36-F45 HydrophobicContact CE3-CB 3.59Å; W36-F45 HydrophobicContact CE3-CD2 4.3Å; W36-F45 HydrophobicContact CE3-CG 4.2Å; W36-F45 HydrophobicContact CG-CB 4.39Å; W36-F45 HydrophobicContact CZ3-CB 4.26Å; F39-F45 HydrophobicContact CB-CE2 3.59Å; F39-F45 HydrophobicContact CB-CZ 4.01Å; F39-F45 AromaticContact CD1-CE2 3.53Å; F39-F45 HydrophobicContact CD1-CE2 3.53Å; F39-F45 AromaticContact CD1-CZ 3.5Å; F39-F45 HydrophobicContact CD1-CZ 3.5Å; F39-F45 HydrophobicContact CD2-CZ 4.13Å; F39-F45 HydrophobicContact CE1-CE2 4.32Å; F39-F45 AromaticContact CE1-CZ 3.89Å; F39-F45 HydrophobicContact CE1-CZ 3.89Å; F39-F45 AromaticContact CG-CE2 3.65Å; F39-F45 HydrophobicContact CG-CE2 3.65Å; F39-F45 AromaticContact CG-CZ 3.61Å; F39-F45 HydrophobicContact CG-CZ 3.61Å; F39-F45 HydrophobicContact CZ-CZ 4.37Å; N43-F45 HydrophobicContact CB-CE2 4.23Å; N43-F45 HydrophobicContact CB-CZ 4.17Å; F45-L51 WeakPolarHBondContact CA-O 3.2Å; F45-I52 HydrophobicContact CD1-CB 4.13Å; F45-I52 HydrophobicContact CD1-CG1 4.15Å; F45-I52 HydrophobicContact CE1-CB 3.98Å; F45-I52 HydrophobicContact CE1-CD1 3.64Å; F45-I52 HydrophobicContact CE1-CG1 3.65Å; F45-I52 HydrophobicContact CZ-CD1 3.97Å; F45-I52 HydrophobicContact CZ-CG1 4.18Å; F45-R321 VanDerWaalsContact CE1-CD 3.41Å; F45-R321 HydrophobicContact CE1-CG 4.02Å
46	F	93.9	Very high	93	Very high	89 Å²	89	59.9 Å²	59.9	39%	0.39	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	162.5	178	-52.5	-96.5	0	0	0	110.4	R44 D48 G49 R50 L51 L53	R44-F46 HydrophobicContact CB-CE2 3.74Å; R44-F46 HydrophobicContact CB-CZ 4.04Å; F46-D48 PolarHBondContact O-N 3.31Å; F46-G49 PolarHBondContact O-N 3.45Å; F46-R50 PolarHBondContact O-N 3.35Å; F46-R50 VanDerWaalsContact O-N 3.11Å; F46-L51 HydrophobicContact CB-CB 4.11Å; F46-L51 HydrophobicContact CB-CD1 4.24Å; F46-L51 PolarHBondContact N-O 3.04Å; F46-L51 VanDerWaalsContact N-O 3.07Å; F46-L51 PolarHBondContact O-N 3.26Å; F46-L51 VanDerWaalsContact O-N 3.09Å; F46-L53 HydrophobicContact CD2-CD1 3.84Å; F46-L53 HydrophobicContact CE2-CB 4.35Å; F46-L53 HydrophobicContact CE2-CD1 3.48Å; F46-L53 VanDerWaalsContact CE2-CD1 3.48Å; F46-L53 HydrophobicContact CZ-CD1 4.39Å
47	C	93.6	Very high	92.9	Very high	85 Å²	85	58.3 Å²	58.3	57%	0.574	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	54.5	178.5	-54	0	0	0	0	112.7	G49 R50 L51	C47-G49 VanDerWaalsContact C-N 3.34Å; C47-G49 PolarHBondContact O-N 2.82Å; C47-R50 HydrophobicContact CB-CB 4.23Å; C47-R50 WeakPolarHBondContact O-CB 3.37Å; C47-R50 WeakPolarHBondContact O-CD 3.34Å; C47-R50 VanDerWaalsContact O-CG 3.22Å; C47-R50 WeakPolarHBondContact O-CG 3.36Å; C47-R50 PolarHBondContact O-N 2.74Å; C47-L51 HydrophobicContact CB-CG 4.34Å
48	D	91.2	Very high	92.8	Very high	57 Å²	57	58.6 Å²	58.6	31%	0.305	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	47.1	-177.9	-176.4	46.3	0	0	0	112.5	R34 W36 F46 R50 R322	R34-D48 IonicContact NE-OD1 3.59Å; R34-D48 PolarHBondContact NE-OD1 3.34Å; W36-D48 PolarHBondContact NE1-OD1 2.97Å; F46-D48 PolarHBondContact O-N 3.31Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 2.92Å; D48-R322 WeakPolarHBondContact O-CG 3.41Å; D48-R322 PolarHBondContact O-NE 2.71Å; D48-R322 IonicContact OD2-CZ 3.63Å; D48-R322 IonicContact OD2-NE 3.68Å; D48-R322 PolarHBondContact OD2-NE 2.73Å; D48-R322 IonicContact OD2-NH2 2.76Å; D48-R322 PolarHBondContact OD2-NH2 3.03Å
49	G	89.6	Confident	93	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	9.2	177.1	0	0	0	0	0	115.4	F46 C47 R321	F46-G49 PolarHBondContact O-N 3.45Å; C47-G49 VanDerWaalsContact C-N 3.34Å; C47-G49 PolarHBondContact O-N 2.82Å; G49-R321 PolarHBondContact O-NE 3.26Å; G49-R321 PolarHBondContact O-NH1 3.44Å
50	R	91.1	Very high	93.2	Very high	145 Å²	145	57.6 Å²	57.6	55%	0.547	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-45.4	178.4	-69.6	175.9	-174.8	-94.6	5.5	112.1	F46 C47 D48 R321	F46-R50 PolarHBondContact O-N 3.35Å; F46-R50 VanDerWaalsContact O-N 3.11Å; C47-R50 HydrophobicContact CB-CB 4.23Å; C47-R50 WeakPolarHBondContact O-CB 3.37Å; C47-R50 WeakPolarHBondContact O-CD 3.34Å; C47-R50 VanDerWaalsContact O-CG 3.22Å; C47-R50 WeakPolarHBondContact O-CG 3.36Å; C47-R50 PolarHBondContact O-N 2.74Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 2.92Å; R50-R321 PolarHBondContact O-NH1 3.38Å; R50-R321 PolarHBondContact O-NH2 2.73Å
51	L	94.7	Very high	93.6	Very high	51 Å²	51	58.4 Å²	58.4	27%	0.267	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.3	178.1	-46.5	-180	0	0	0	109.4	F45 F46 C47 F110	F45-L51 WeakPolarHBondContact CA-O 3.2Å; F46-L51 HydrophobicContact CB-CB 4.11Å; F46-L51 HydrophobicContact CB-CD1 4.24Å; F46-L51 PolarHBondContact N-O 3.04Å; F46-L51 VanDerWaalsContact N-O 3.07Å; F46-L51 PolarHBondContact O-N 3.26Å; F46-L51 VanDerWaalsContact O-N 3.09Å; C47-L51 HydrophobicContact CB-CG 4.34Å; L51-F110 HydrophobicContact CB-CB 4.24Å; L51-F110 HydrophobicContact CB-CG 4.4Å; L51-F110 HydrophobicContact CD1-CD2 4.36Å; L51-F110 HydrophobicContact CD2-CB 3.83Å; L51-F110 HydrophobicContact CD2-CD2 4.02Å; L51-F110 HydrophobicContact CD2-CG 4.08Å
52	I	94.9	Very high	93.7	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.4	175.1	-176.2	178.7	0	0	0	109	N43 R44 F45 F110 D112 I115 I319	N43-I52 HydrophobicContact CB-CD1 3.98Å; N43-I52 HydrophobicContact CB-CG1 3.85Å; R44-I52 WeakPolarHBondContact O-CA 3.27Å; F45-I52 HydrophobicContact CD1-CB 4.13Å; F45-I52 HydrophobicContact CD1-CG1 4.15Å; F45-I52 HydrophobicContact CE1-CB 3.98Å; F45-I52 HydrophobicContact CE1-CD1 3.64Å; F45-I52 HydrophobicContact CE1-CG1 3.65Å; F45-I52 HydrophobicContact CZ-CD1 3.97Å; F45-I52 HydrophobicContact CZ-CG1 4.18Å; I52-F110 WeakPolarHBondContact CG2-O 3.47Å; I52-F110 PolarHBondContact N-O 3.46Å; I52-F110 WeakPolarHBondContact O-CA 3.45Å; I52-D112 HydrophobicContact CG2-CB 4.21Å; I52-D112 VanDerWaalsContact CG2-N 3.32Å; I52-I115 HydrophobicContact CD1-CD1 3.54Å; I52-I319 HydrophobicContact CD1-CD1 4.45Å
53	L	95.6	Very high	93.8	Very high	11 Å²	11	58.2 Å²	58.2	6%	0.058	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	160.3	176.4	-77.6	147	0	0	0	109.4	N43 R44 F46 N57 L60 F110	N43-L53 CarbonylContact C-O 3.51Å; N43-L53 VanDerWaalsContact CA-O 3.23Å; N43-L53 WeakPolarHBondContact CA-O 3.09Å; N43-L53 WeakPolarHBondContact CB-O 3.49Å; N43-L53 PolarHBondContact ND2-O 3.21Å; R44-L53 PolarHBondContact N-O 3.43Å; R44-L53 PolarHBondContact O-N 2.87Å; F46-L53 HydrophobicContact CD2-CD1 3.84Å; F46-L53 HydrophobicContact CE2-CB 4.35Å; F46-L53 HydrophobicContact CE2-CD1 3.48Å; F46-L53 VanDerWaalsContact CE2-CD1 3.48Å; F46-L53 HydrophobicContact CZ-CD1 4.39Å; L53-N57 HydrophobicContact CB-CB 4.42Å; L53-N57 HydrophobicContact CD2-CB 4.15Å; L53-L60 HydrophobicContact CD2-CD2 3.66Å; L53-F110 HydrophobicContact CD1-CD1 3.88Å; L53-F110 HydrophobicContact CD1-CE1 3.73Å; L53-F110 HydrophobicContact CD2-CD1 3.86Å; L53-F110 HydrophobicContact CD2-CE1 3.88Å; L53-F110 HydrophobicContact CG-CD1 3.83Å; L53-F110 HydrophobicContact CG-CE1 4.05Å
54	A	94.6	Very high	93.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.308	C	S	.	.			trans	-70.6	162.6	165.8	0	0	0	0	0	111.1	Q56 N57 G192	A54-Q56 VanDerWaalsContact C-N 3.28Å; A54-Q56 PolarHBondContact O-N 3.35Å; A54-N57 PolarHBondContact O-ND2 3.31Å; A54-G192 WeakPolarHBondContact CB-O 3.43Å; A54-G192 PolarHBondContact N-O 2.98Å
55	R	92.7	Very high	94	Very high	158 Å²	158	55.6 Å²	55.6	60%	0.596	30%	0.3	S	S	*	.	S	Bend	trans	-60.8	-38.3	170.8	-177.4	170.5	166	151.1	-4.6	112.2	K42 N57	K42-R55 HydrophobicContact CB-CB 4.39Å; K42-R55 WeakPolarHBondContact O-CB 3.28Å; R55-N57 PolarHBondContact O-N 3.41Å
56	Q	88.6	Confident	94.1	Very high	106 Å²	106	57.9 Å²	57.9	50%	0.495	31%	0.312	S	S	.	.			trans	-91.7	66.4	179.5	-69.1	-174.9	-27.5	0	0	110.8	A54	A54-Q56 VanDerWaalsContact C-N 3.28Å; A54-Q56 PolarHBondContact O-N 3.35Å
57	N	89.6	Confident	94.3	Very high	32 Å²	32	54.2 Å²	54.2	17%	0.171	30%	0.297	C	S	.	.			trans	-102.3	10.4	178.5	63.5	13.1	0	0	0	113.6	L53 A54 R55 V59 L60 P61	L53-N57 HydrophobicContact CB-CB 4.42Å; L53-N57 HydrophobicContact CD2-CB 4.15Å; A54-N57 PolarHBondContact O-ND2 3.31Å; R55-N57 PolarHBondContact O-N 3.41Å; N57-V59 PolarHBondContact O-N 3.49Å; N57-L60 WeakPolarHBondContact O-CB 3.17Å; N57-L60 PolarHBondContact O-N 3.04Å; N57-L60 VanDerWaalsContact O-N 3.14Å; N57-P61 WeakPolarHBondContact O-CD 3.42Å
58	G	90	Very high	94.6	Very high	62 Å²	62	53.5 Å²	53.5	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	-175	0	0	0	0	0	115.2
59	V	95.9	Very high	94.9	Very high	49 Å²	49	54.7 Å²	54.7	30%	0.297	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-21.8	177.5	-173.9	0	0	0	0	112	N57 L62 T63 P189 W190	N57-V59 PolarHBondContact O-N 3.49Å; V59-L62 WeakPolarHBondContact O-CA 3.32Å; V59-L62 VanDerWaalsContact O-CB 3.32Å; V59-L62 WeakPolarHBondContact O-CB 3.35Å; V59-L62 PolarHBondContact O-N 3.01Å; V59-T63 PolarHBondContact O-N 2.72Å; V59-T63 VanDerWaalsContact O-N 3.1Å; V59-P189 HydrophobicContact CB-CB 4.22Å; V59-P189 HydrophobicContact CG2-CB 4.06Å; V59-W190 HydrophobicContact CG1-CD2 3.76Å; V59-W190 HydrophobicContact CG1-CE3 3.33Å; V59-W190 HydrophobicContact CG1-CG 4.35Å; V59-W190 HydrophobicContact CG1-CH2 4.47Å; V59-W190 HydrophobicContact CG1-CZ3 3.75Å
60	L	96.3	Very high	95.3	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-44.6	178.4	170.2	65.6	0	0	0	113.3	L53 N57 L62 T63 L64 L105 S109 F110 W190	L53-L60 HydrophobicContact CD2-CD2 3.66Å; N57-L60 WeakPolarHBondContact O-CB 3.17Å; N57-L60 PolarHBondContact O-N 3.04Å; N57-L60 VanDerWaalsContact O-N 3.14Å; L60-L62 PolarHBondContact O-N 3.06Å; L60-T63 PolarHBondContact O-N 3.21Å; L60-L64 PolarHBondContact O-N 3.4Å; L60-L105 HydrophobicContact CD1-CD1 3.9Å; L60-L105 HydrophobicContact CD1-CD2 4.27Å; L60-L105 HydrophobicContact CD1-CG 4.16Å; L60-S109 WeakPolarHBondContact CD1-OG 3.48Å; L60-F110 HydrophobicContact CD2-CE1 4.2Å; L60-W190 WeakPolarHBondContact CA-O 3.29Å
61	P	97.4	Very high	95.7	Very high	86 Å²	86	48.4 Å²	48.4	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-57.8	-34	172.8	-26.7	34.8	0	0	0	113.7	N57 G65	N57-P61 WeakPolarHBondContact O-CD 3.42Å; P61-G65 PolarHBondContact O-N 3.36Å
62	L	96.6	Very high	95.8	Very high	97 Å²	97	47.8 Å²	47.8	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-66.8	-46.1	175.5	176.8	64.1	0	0	0	110.9	V59 L60 L64 G65 L66 W190	V59-L62 WeakPolarHBondContact O-CA 3.32Å; V59-L62 VanDerWaalsContact O-CB 3.32Å; V59-L62 WeakPolarHBondContact O-CB 3.35Å; V59-L62 PolarHBondContact O-N 3.01Å; L60-L62 PolarHBondContact O-N 3.06Å; L62-L64 PolarHBondContact O-N 3.04Å; L62-G65 PolarHBondContact O-N 2.99Å; L62-L66 HydrophobicContact CD1-CD1 4.28Å; L62-L66 HydrophobicContact CD1-CG 4.23Å; L62-L66 HydrophobicContact CG-CD1 4.2Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.39Å; L62-W190 HydrophobicContact CD2-CZ3 4.21Å
63	T	97.1	Very high	96	Very high	14 Å²	14	49.6 Å²	49.6	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-48.7	175	-58.6	0	0	0	0	111.7	V59 L60 G65 L66 I67 L105 W190 F206	V59-T63 PolarHBondContact O-N 2.72Å; V59-T63 VanDerWaalsContact O-N 3.1Å; L60-T63 PolarHBondContact O-N 3.21Å; T63-G65 VanDerWaalsContact C-N 3.34Å; T63-G65 PolarHBondContact O-N 3.41Å; T63-L66 PolarHBondContact O-N 2.86Å; T63-I67 HydrophobicContact CG2-CD1 3.96Å; T63-I67 WeakPolarHBondContact O-CD1 3.41Å; T63-I67 WeakPolarHBondContact O-CG1 3.41Å; T63-I67 PolarHBondContact O-N 2.87Å; T63-I67 VanDerWaalsContact O-N 3.13Å; T63-L105 HydrophobicContact CG2-CD1 4.43Å; T63-L105 HydrophobicContact CG2-CD2 4.01Å; T63-W190 PolarHBondContact OG1-O 3.16Å; T63-F206 HydrophobicContact CG2-CZ 4.1Å
64	L	98.1	Very high	96.1	Very high	57 Å²	57	49.1 Å²	49.1	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-42.7	178.9	-176.2	63.2	0	0	0	111.3	L60 L62 I67 V68 V102 L105	L60-L64 PolarHBondContact O-N 3.4Å; L62-L64 PolarHBondContact O-N 3.04Å; L64-I67 PolarHBondContact O-N 3.39Å; L64-V68 HydrophobicContact CD1-CG2 4.15Å; L64-V68 HydrophobicContact CG-CG2 4.36Å; L64-V68 WeakPolarHBondContact O-CB 3.44Å; L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.48Å; L64-V68 PolarHBondContact O-N 2.86Å; L64-V102 HydrophobicContact CD1-CG1 4.38Å; L64-L105 HydrophobicContact CB-CD2 4.49Å; L64-L105 HydrophobicContact CD1-CD2 4.34Å
65	G	98	Very high	96.3	Very high	31 Å²	31	52.2 Å²	52.2	32%	0.32	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-46.8	177	0	0	0	0	0	112.5	P61 L62 T63 I67 V68 V69	P61-G65 PolarHBondContact O-N 3.36Å; L62-G65 PolarHBondContact O-N 2.99Å; T63-G65 VanDerWaalsContact C-N 3.34Å; T63-G65 PolarHBondContact O-N 3.41Å; G65-I67 PolarHBondContact O-N 2.94Å; G65-V68 PolarHBondContact O-N 3.2Å; G65-V69 VanDerWaalsContact O-CB 3.27Å; G65-V69 WeakPolarHBondContact O-CB 3.37Å; G65-V69 VanDerWaalsContact O-CG2 3.24Å; G65-V69 WeakPolarHBondContact O-CG2 3.38Å; G65-V69 PolarHBondContact O-N 2.72Å
66	L	97.2	Very high	96.6	Very high	70 Å²	70	47.5 Å²	47.5	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-59.4	-47	176.3	-73.5	170.4	0	0	0	111.6	L62 T63 V68 T70	L62-L66 HydrophobicContact CD1-CD1 4.28Å; L62-L66 HydrophobicContact CD1-CG 4.23Å; L62-L66 HydrophobicContact CG-CD1 4.2Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.39Å; T63-L66 PolarHBondContact O-N 2.86Å; L66-V68 PolarHBondContact O-N 2.81Å; L66-T70 VanDerWaalsContact O-CB 3.26Å; L66-T70 WeakPolarHBondContact O-CB 3.4Å; L66-T70 PolarHBondContact O-N 3.27Å; L66-T70 PolarHBondContact O-OG1 3.27Å
67	I	98.3	Very high	97	Very high	13 Å²	13	48 Å²	48	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-46.7	179.8	-66	164	0	0	0	111	T63 L64 G65 S71 F98 V101 V102 L105 F206 L210	T63-I67 HydrophobicContact CG2-CD1 3.96Å; T63-I67 WeakPolarHBondContact O-CD1 3.41Å; T63-I67 WeakPolarHBondContact O-CG1 3.41Å; T63-I67 PolarHBondContact O-N 2.87Å; T63-I67 VanDerWaalsContact O-N 3.13Å; L64-I67 PolarHBondContact O-N 3.39Å; G65-I67 PolarHBondContact O-N 2.94Å; I67-S71 VanDerWaalsContact O-CB 3.23Å; I67-S71 WeakPolarHBondContact O-CB 3.32Å; I67-S71 PolarHBondContact O-N 3.22Å; I67-S71 PolarHBondContact O-OG 2.86Å; I67-F98 HydrophobicContact CG2-CD2 4.06Å; I67-F98 HydrophobicContact CG2-CE2 3.99Å; I67-V101 HydrophobicContact CD1-CG1 3.96Å; I67-V101 HydrophobicContact CG2-CG1 4.13Å; I67-V102 HydrophobicContact CG2-CG2 4.22Å; I67-L105 HydrophobicContact CD1-CD2 4.01Å; I67-F206 HydrophobicContact CD1-CE2 3.98Å; I67-F206 HydrophobicContact CD1-CZ 4.42Å; I67-L210 HydrophobicContact CD1-CD1 4.16Å; I67-L210 HydrophobicContact CG1-CD1 4.03Å
68	V	98.5	Very high	97.4	Very high	69 Å²	69	46.5 Å²	46.5	42%	0.418	29%	0.29	S	S	.	.	H	α-helix	trans	-68.6	-44.9	-177.9	171.5	0	0	0	0	111.6	L64 G65 L66 G72 F98	L64-V68 HydrophobicContact CD1-CG2 4.15Å; L64-V68 HydrophobicContact CG-CG2 4.36Å; L64-V68 WeakPolarHBondContact O-CB 3.44Å; L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.48Å; L64-V68 PolarHBondContact O-N 2.86Å; G65-V68 PolarHBondContact O-N 3.2Å; L66-V68 PolarHBondContact O-N 2.81Å; V68-G72 WeakPolarHBondContact O-CA 3.42Å; V68-G72 PolarHBondContact O-N 3.49Å; V68-F98 HydrophobicContact CG2-CE2 4.22Å; V68-F98 HydrophobicContact CG2-CZ 4.21Å
69	V	98	Very high	97.7	Very high	82 Å²	82	43.9 Å²	43.9	50%	0.497	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-50.3	-179.3	171.2	0	0	0	0	110.4	G65 S71 G72 L73	G65-V69 VanDerWaalsContact O-CB 3.27Å; G65-V69 WeakPolarHBondContact O-CB 3.37Å; G65-V69 VanDerWaalsContact O-CG2 3.24Å; G65-V69 WeakPolarHBondContact O-CG2 3.38Å; G65-V69 PolarHBondContact O-N 2.72Å; V69-S71 VanDerWaalsContact C-N 3.35Å; V69-S71 PolarHBondContact O-N 3.32Å; V69-G72 PolarHBondContact O-N 2.99Å; V69-L73 HydrophobicContact CG1-CD1 4.13Å; V69-L73 HydrophobicContact CG1-CG 4.38Å; V69-L73 WeakPolarHBondContact O-CG 3.29Å; V69-L73 PolarHBondContact O-N 3Å
70	T	98.2	Very high	97.8	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-44.4	179.1	-59.8	0	0	0	0	111.4	L66 G72 F74 I217 E248	L66-T70 VanDerWaalsContact O-CB 3.26Å; L66-T70 WeakPolarHBondContact O-CB 3.4Å; L66-T70 PolarHBondContact O-N 3.27Å; L66-T70 PolarHBondContact O-OG1 3.27Å; T70-G72 PolarHBondContact O-N 3.16Å; T70-F74 WeakPolarHBondContact O-CB 3.48Å; T70-F74 PolarHBondContact O-N 3.09Å; T70-F74 VanDerWaalsContact O-N 3.07Å; T70-I217 HydrophobicContact CG2-CD1 4.42Å; T70-I217 HydrophobicContact CG2-CG2 4.35Å; T70-E248 HydrophobicContact CG2-CG 4.32Å
71	S	98.5	Very high	97.8	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-36.4	177.2	-51.5	0	0	0	0	112	I67 V69 F74 F75 F98	I67-S71 VanDerWaalsContact O-CB 3.23Å; I67-S71 WeakPolarHBondContact O-CB 3.32Å; I67-S71 PolarHBondContact O-N 3.22Å; I67-S71 PolarHBondContact O-OG 2.86Å; V69-S71 VanDerWaalsContact C-N 3.35Å; V69-S71 PolarHBondContact O-N 3.32Å; S71-F74 WeakPolarHBondContact O-CB 3.38Å; S71-F74 PolarHBondContact O-N 3.5Å; S71-F75 WeakPolarHBondContact O-CD2 3.14Å; S71-F75 WeakPolarHBondContact O-CG 3.12Å; S71-F75 PolarHBondContact O-N 3.36Å; S71-F98 WeakPolarHBondContact OG-CD2 2.99Å
72	G	98.6	Very high	97.8	Very high	37 Å²	37	40.6 Å²	40.6	38%	0.381	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-43	178.1	0	0	0	0	0	112.6	V68 V69 T70 A76	V68-G72 WeakPolarHBondContact O-CA 3.42Å; V68-G72 PolarHBondContact O-N 3.49Å; V69-G72 PolarHBondContact O-N 2.99Å; T70-G72 PolarHBondContact O-N 3.16Å; G72-A76 VanDerWaalsContact O-CB 3.23Å; G72-A76 WeakPolarHBondContact O-CB 3.4Å; G72-A76 PolarHBondContact O-N 3.04Å
73	L	98.3	Very high	97.9	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.199	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-47.2	172.2	-67.4	177	0	0	0	110.4	V69 F75 A76 F77 A244 V247 E248	V69-L73 HydrophobicContact CG1-CD1 4.13Å; V69-L73 HydrophobicContact CG1-CG 4.38Å; V69-L73 WeakPolarHBondContact O-CG 3.29Å; V69-L73 PolarHBondContact O-N 3Å; L73-F75 PolarHBondContact O-N 3.38Å; L73-A76 PolarHBondContact O-N 3.5Å; L73-A76 VanDerWaalsContact O-N 3.1Å; L73-F77 HydrophobicContact CB-CD2 4.41Å; L73-F77 HydrophobicContact CD2-CD2 3.95Å; L73-F77 HydrophobicContact CD2-CE2 3.68Å; L73-F77 WeakPolarHBondContact O-CD2 3.5Å; L73-F77 PolarHBondContact O-N 2.86Å; L73-A244 HydrophobicContact CD2-CB 4.31Å; L73-V247 HydrophobicContact CD1-CG1 4.23Å; L73-E248 VanDerWaalsContact CB-CD 3.44Å; L73-E248 HydrophobicContact CB-CG 3.77Å; L73-E248 HydrophobicContact CD1-CG 3.99Å
74	F	98.6	Very high	97.8	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	26%	0.263	C	S	.	.	I	π-helix	trans	-57.2	-46.7	179.8	174.9	-113.8	0	0	0	112.7	T70 S71 D78 C79 L82 I90 F216 I217 C220 E248	T70-F74 WeakPolarHBondContact O-CB 3.48Å; T70-F74 PolarHBondContact O-N 3.09Å; T70-F74 VanDerWaalsContact O-N 3.07Å; S71-F74 WeakPolarHBondContact O-CB 3.38Å; S71-F74 PolarHBondContact O-N 3.5Å; F74-D78 HydrophobicContact CD2-CB 3.77Å; F74-D78 HydrophobicContact CE2-CB 4.02Å; F74-D78 PolarHBondContact O-N 3.5Å; F74-C79 WeakPolarHBondContact CE1-SG 3.3Å; F74-C79 VanDerWaalsContact CZ-SG 3.59Å; F74-C79 PolarHBondContact O-N 2.94Å; F74-C79 PolarHBondContact O-SG 3.32Å; F74-C79 VanDerWaalsContact O-SG 3.39Å; F74-L82 HydrophobicContact CE2-CD1 4.19Å; F74-I90 HydrophobicContact CZ-CG2 3.82Å; F74-F216 HydrophobicContact CE1-CE1 4.01Å; F74-F216 AromaticContact CZ-CE1 3.94Å; F74-F216 HydrophobicContact CZ-CE1 3.94Å; F74-I217 HydrophobicContact CB-CD1 4.39Å; F74-I217 HydrophobicContact CB-CG1 4.48Å; F74-I217 HydrophobicContact CB-CG2 4.31Å; F74-I217 HydrophobicContact CD1-CD1 4.39Å; F74-I217 HydrophobicContact CD1-CG1 4.02Å; F74-I217 HydrophobicContact CD2-CG1 4.37Å; F74-I217 HydrophobicContact CD2-CG2 4.1Å; F74-I217 HydrophobicContact CE1-CG1 4.35Å; F74-I217 HydrophobicContact CG-CD1 4.4Å; F74-I217 HydrophobicContact CG-CG1 4.01Å; F74-I217 HydrophobicContact CG-CG2 4.24Å; F74-C220 HydrophobicContact CE2-CB 3.47Å; F74-C220 VanDerWaalsContact CE2-CB 3.47Å; F74-C220 HydrophobicContact CZ-CB 3.91Å; F74-E248 WeakPolarHBondContact CA-OE1 3.48Å; F74-E248 WeakPolarHBondContact CB-OE1 3.43Å; F74-E248 PolarHBondContact N-OE1 3Å
75	F	98.5	Very high	97.7	Very high	66 Å²	66	47.7 Å²	47.7	29%	0.289	27%	0.272	S	S	.	.	I	π-helix	trans	-70.3	-32.8	178.3	-69.7	-58.9	0	0	0	112.9	S71 L73 P91 F98	S71-F75 WeakPolarHBondContact O-CD2 3.14Å; S71-F75 WeakPolarHBondContact O-CG 3.12Å; S71-F75 PolarHBondContact O-N 3.36Å; L73-F75 PolarHBondContact O-N 3.38Å; F75-P91 HydrophobicContact CD1-CB 4.41Å; F75-P91 HydrophobicContact CE1-CB 4.42Å; F75-F98 HydrophobicContact CE2-CB 4.47Å
76	A	98.1	Very high	97.6	Very high	58 Å²	58	50.7 Å²	50.7	48%	0.479	28%	0.28	S	S	.	.	I	π-helix	trans	-80.4	-38.3	-176.4	0	0	0	0	0	113.1	G72 L73	G72-A76 VanDerWaalsContact O-CB 3.23Å; G72-A76 WeakPolarHBondContact O-CB 3.4Å; G72-A76 PolarHBondContact O-N 3.04Å; L73-A76 PolarHBondContact O-N 3.5Å; L73-A76 VanDerWaalsContact O-N 3.1Å
77	F	97	Very high	97.6	Very high	118 Å²	118	50.1 Å²	50.1	52%	0.518	28%	0.28	S	S	.	.	I	π-helix	trans	-112.9	-41.2	-168.1	-62.9	-73.6	0	0	0	113.6	L73 A244	L73-F77 HydrophobicContact CB-CD2 4.41Å; L73-F77 HydrophobicContact CD2-CD2 3.95Å; L73-F77 HydrophobicContact CD2-CE2 3.68Å; L73-F77 WeakPolarHBondContact O-CD2 3.5Å; L73-F77 PolarHBondContact O-N 2.86Å; F77-A244 HydrophobicContact CB-CB 3.93Å; F77-A244 HydrophobicContact CD1-CB 4.35Å; F77-A244 HydrophobicContact CD2-CB 3.42Å; F77-A244 VanDerWaalsContact CD2-CB 3.42Å; F77-A244 HydrophobicContact CE2-CB 4Å; F77-A244 HydrophobicContact CG-CB 3.63Å
78	D	97.4	Very high	97.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-88.5	-43.9	-176.7	-64.2	-98.9	0	0	0	112.4	F74 F81 L82 H224 S245 E248	F74-D78 HydrophobicContact CD2-CB 3.77Å; F74-D78 HydrophobicContact CE2-CB 4.02Å; F74-D78 PolarHBondContact O-N 3.5Å; D78-F81 PolarHBondContact O-N 3.4Å; D78-L82 HydrophobicContact CB-CD1 4.12Å; D78-L82 WeakPolarHBondContact O-CB 3.48Å; D78-L82 VanDerWaalsContact O-CG 3.27Å; D78-L82 WeakPolarHBondContact O-CG 3.41Å; D78-L82 PolarHBondContact O-N 3.44Å; D78-H224 IonicContact OD1-CE1 3.98Å; D78-H224 IonicContact OD1-CG 3.87Å; D78-H224 IonicContact OD1-ND1 3.87Å; D78-H224 PolarHBondContact OD1-ND1 3.36Å; D78-S245 VanDerWaalsContact CG-OG 3.3Å; D78-S245 WeakPolarHBondContact OD1-CB 3.29Å; D78-S245 PolarHBondContact OD1-OG 3.16Å; D78-S245 PolarHBondContact OD2-OG 3Å; D78-S245 VanDerWaalsContact OD2-OG 3.12Å; D78-E248 VanDerWaalsContact OD2-OE2 3.06Å
79	C	97.9	Very high	97.5	Very high	6 Å²	6	54 Å²	54	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-45.4	-176.6	-75.7	0	0	0	0	114	F74 F81 L82 V83 P91	F74-C79 WeakPolarHBondContact CE1-SG 3.3Å; F74-C79 VanDerWaalsContact CZ-SG 3.59Å; F74-C79 PolarHBondContact O-N 2.94Å; F74-C79 PolarHBondContact O-SG 3.32Å; F74-C79 VanDerWaalsContact O-SG 3.39Å; C79-F81 VanDerWaalsContact C-N 3.31Å; C79-F81 PolarHBondContact O-N 3.3Å; C79-L82 PolarHBondContact O-N 3.33Å; C79-V83 WeakPolarHBondContact O-CB 3.41Å; C79-V83 WeakPolarHBondContact O-CG2 3.24Å; C79-V83 PolarHBondContact O-N 3.06Å; C79-P91 HydrophobicContact CB-CB 4.44Å
80	P	97.8	Very high	97.5	Very high	65 Å²	65	50.8 Å²	50.8	42%	0.422	29%	0.286	S	S	.	.	H	α-helix	trans	-56.6	-46	179.4	-25.8	35.5	0	0	0	112.3	V83 E84	P80-V83 PolarHBondContact O-N 3.42Å; P80-E84 WeakPolarHBondContact O-CG 3.3Å; P80-E84 PolarHBondContact O-N 3.25Å
81	F	96.3	Very high	97.5	Very high	17 Å²	17	52 Å²	52	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-46.6	177.6	179.4	-87.6	0	0	0	111.9	D78 C79 V83 E84 H85 H224 L227 R228	D78-F81 PolarHBondContact O-N 3.4Å; C79-F81 VanDerWaalsContact C-N 3.31Å; C79-F81 PolarHBondContact O-N 3.3Å; F81-V83 VanDerWaalsContact C-N 3.31Å; F81-V83 PolarHBondContact O-N 3.24Å; F81-E84 PolarHBondContact O-N 3.48Å; F81-H85 AromaticContact CD2-CE1 3.67Å; F81-H85 AromaticContact CD2-ND1 3.77Å; F81-H85 HydrophobicContact CE1-CB 4.4Å; F81-H85 AromaticContact CE1-ND1 3.97Å; F81-H85 AromaticContact CE2-CE1 3.37Å; F81-H85 WeakPolarHBondContact CE2-CE1 3.23Å; F81-H85 AromaticContact CE2-ND1 3.67Å; F81-H85 AromaticContact CE2-NE2 3.77Å; F81-H85 AromaticContact CG-ND1 3.98Å; F81-H85 AromaticContact CZ-CE1 3.81Å; F81-H85 AromaticContact CZ-CG 3.94Å; F81-H85 AromaticContact CZ-ND1 3.78Å; F81-H85 AromaticContact CZ-NE2 3.95Å; F81-H85 PolarHBondContact O-N 3.41Å; F81-H85 VanDerWaalsContact O-N 3.13Å; F81-H85 PolarHBondContact O-ND1 3.03Å; F81-H224 HydrophobicContact CD1-CB 4.47Å; F81-H224 AromaticContact CD1-CD2 3.09Å; F81-H224 WeakPolarHBondContact CD1-CD2 3.32Å; F81-H224 AromaticContact CD1-CG 3.93Å; F81-H224 AromaticContact CD1-NE2 3.71Å; F81-H224 AromaticContact CD2-NE2 3.96Å; F81-H224 AromaticContact CE1-CD2 3.52Å; F81-H224 AromaticContact CG-CD2 3.43Å; F81-H224 VanDerWaalsContact CG-CD2 3.43Å; F81-H224 WeakPolarHBondContact CG-CD2 3.43Å; F81-H224 AromaticContact CG-NE2 3.49Å; F81-H224 WeakPolarHBondContact CG-NE2 3.43Å; F81-L227 HydrophobicContact CE1-CB 3.81Å; F81-L227 HydrophobicContact CE1-CD1 4.05Å; F81-L227 HydrophobicContact CZ-CB 3.98Å; F81-R228 HydrophobicContact CE1-CG 4.48Å; F81-R228 HydrophobicContact CE2-CG 4.09Å; F81-R228 HydrophobicContact CZ-CG 3.99Å
82	L	97.1	Very high	97.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-29.5	-177.7	-67.8	170.5	0	0	0	112.8	F74 D78 C79 L86 T87 I90 C220 T223 H224	F74-L82 HydrophobicContact CE2-CD1 4.19Å; D78-L82 HydrophobicContact CB-CD1 4.12Å; D78-L82 WeakPolarHBondContact O-CB 3.48Å; D78-L82 VanDerWaalsContact O-CG 3.27Å; D78-L82 WeakPolarHBondContact O-CG 3.41Å; D78-L82 PolarHBondContact O-N 3.44Å; C79-L82 PolarHBondContact O-N 3.33Å; L82-L86 HydrophobicContact CD2-CD1 3.73Å; L82-L86 WeakPolarHBondContact O-CA 3.45Å; L82-L86 VanDerWaalsContact O-CB 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.28Å; L82-L86 PolarHBondContact O-N 3.17Å; L82-T87 PolarHBondContact O-N 2.92Å; L82-I90 HydrophobicContact CB-CD1 3.82Å; L82-I90 HydrophobicContact CD1-CG2 4.35Å; L82-C220 HydrophobicContact CD1-CB 3.73Å; L82-T223 HydrophobicContact CD2-CG2 4.34Å; L82-H224 HydrophobicContact CD2-CB 4.07Å; L82-H224 HydrophobicContact CG-CB 4.34Å
83	V	97.8	Very high	97.5	Very high	52 Å²	52	58.4 Å²	58.4	32%	0.315	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-44	174.3	169.4	0	0	0	0	110.8	C79 P80 F81 H85 V88 P91	C79-V83 WeakPolarHBondContact O-CB 3.41Å; C79-V83 WeakPolarHBondContact O-CG2 3.24Å; C79-V83 PolarHBondContact O-N 3.06Å; P80-V83 PolarHBondContact O-N 3.42Å; F81-V83 VanDerWaalsContact C-N 3.31Å; F81-V83 PolarHBondContact O-N 3.24Å; V83-H85 VanDerWaalsContact C-N 3.31Å; V83-H85 PolarHBondContact O-N 2.89Å; V83-V88 HydrophobicContact CG1-CB 4.41Å; V83-V88 HydrophobicContact CG1-CG2 4.48Å; V83-P91 HydrophobicContact CG2-CG 3.78Å
84	E	96.5	Very high	97.5	Very high	158 Å²	158	56.6 Å²	56.6	74%	0.738	31%	0.312	S	S	*	.	H	α-helix	trans	-65	-34	178.4	-71.8	177.4	176.2	0	0	112.6	P80 F81	P80-E84 WeakPolarHBondContact O-CG 3.3Å; P80-E84 PolarHBondContact O-N 3.25Å; F81-E84 PolarHBondContact O-N 3.48Å
85	H	95.6	Very high	97.5	Very high	106 Å²	106	57.5 Å²	57.5	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-103.8	-19.2	-171.4	-64.8	77.1	0	0	0	114.7	F81 V83 L227	F81-H85 AromaticContact CD2-CE1 3.67Å; F81-H85 AromaticContact CD2-ND1 3.77Å; F81-H85 HydrophobicContact CE1-CB 4.4Å; F81-H85 AromaticContact CE1-ND1 3.97Å; F81-H85 AromaticContact CE2-CE1 3.37Å; F81-H85 WeakPolarHBondContact CE2-CE1 3.23Å; F81-H85 AromaticContact CE2-ND1 3.67Å; F81-H85 AromaticContact CE2-NE2 3.77Å; F81-H85 AromaticContact CG-ND1 3.98Å; F81-H85 AromaticContact CZ-CE1 3.81Å; F81-H85 AromaticContact CZ-CG 3.94Å; F81-H85 AromaticContact CZ-ND1 3.78Å; F81-H85 AromaticContact CZ-NE2 3.95Å; F81-H85 PolarHBondContact O-N 3.41Å; F81-H85 VanDerWaalsContact O-N 3.13Å; F81-H85 PolarHBondContact O-ND1 3.03Å; V83-H85 VanDerWaalsContact C-N 3.31Å; V83-H85 PolarHBondContact O-N 2.89Å; H85-L227 HydrophobicContact CB-CD1 4.4Å
86	L	95.7	Very high	97.5	Very high	95 Å²	95	59 Å²	59	50%	0.497	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-73.3	-175.6	-60	174.2	0	0	0	112.7	L82 I90 T223 L227	L82-L86 HydrophobicContact CD2-CD1 3.73Å; L82-L86 WeakPolarHBondContact O-CA 3.45Å; L82-L86 VanDerWaalsContact O-CB 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.28Å; L82-L86 PolarHBondContact O-N 3.17Å; L86-I90 HydrophobicContact CB-CD1 4.09Å; L86-I90 HydrophobicContact CD1-CD1 4.1Å; L86-T223 HydrophobicContact CD1-CG2 3.76Å; L86-L227 HydrophobicContact CD1-CD1 4.37Å; L86-L227 HydrophobicContact CD2-CD1 4.33Å; L86-L227 HydrophobicContact CG-CD1 4.32Å
87	T	96.8	Very high	97.5	Very high	57 Å²	57	58 Å²	58	35%	0.35	32%	0.322	S	S	.	.			trans	-167.1	145.4	-173.7	-176.4	0	0	0	0	113.6	L82 C89 I90	L82-T87 PolarHBondContact O-N 2.92Å; T87-C89 HydrophobicContact CG2-CB 4.1Å; T87-C89 PolarHBondContact O-N 3.29Å; T87-C89 PolarHBondContact OG1-N 2.89Å; T87-I90 HydrophobicContact CG2-CD1 3.92Å; T87-I90 HydrophobicContact CG2-CG1 3.74Å
88	V	97.1	Very high	97.6	Very high	98 Å²	98	54.5 Å²	54.5	59%	0.594	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-15.2	172	72.8	0	0	0	0	113.5	V83 I90 P91	V83-V88 HydrophobicContact CG1-CB 4.41Å; V83-V88 HydrophobicContact CG1-CG2 4.48Å; V88-I90 VanDerWaalsContact C-N 3.27Å; V88-I90 PolarHBondContact O-N 2.88Å; V88-P91 VanDerWaalsContact O-CD 3.29Å; V88-P91 WeakPolarHBondContact O-CD 3.4Å; V88-P91 WeakPolarHBondContact O-CG 3.46Å
89	C	97.4	Very high	97.6	Very high	66 Å²	66	60 Å²	60	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-68.9	-23	179.7	-64.9	0	0	0	0	113.4	T87 V92 I93	T87-C89 HydrophobicContact CG2-CB 4.1Å; T87-C89 PolarHBondContact O-N 3.29Å; T87-C89 PolarHBondContact OG1-N 2.89Å; C89-V92 PolarHBondContact O-N 3.38Å; C89-I93 HydrophobicContact CB-CD1 4.34Å; C89-I93 WeakPolarHBondContact O-CG1 3.28Å; C89-I93 PolarHBondContact O-N 2.71Å
90	I	98.1	Very high	97.7	Very high	15 Å²	15	64.5 Å²	64.5	8%	0.077	36%	0.355	C	S	.	.	H	α-helix	trans	-57.9	-56.5	-176.8	-72.2	166.6	0	0	0	112.5	F74 L82 L86 T87 V88 V92 I93 G94 F216	F74-I90 HydrophobicContact CZ-CG2 3.82Å; L82-I90 HydrophobicContact CB-CD1 3.82Å; L82-I90 HydrophobicContact CD1-CG2 4.35Å; L86-I90 HydrophobicContact CB-CD1 4.09Å; L86-I90 HydrophobicContact CD1-CD1 4.1Å; T87-I90 HydrophobicContact CG2-CD1 3.92Å; T87-I90 HydrophobicContact CG2-CG1 3.74Å; V88-I90 VanDerWaalsContact C-N 3.27Å; V88-I90 PolarHBondContact O-N 2.88Å; I90-V92 VanDerWaalsContact C-N 3.25Å; I90-V92 PolarHBondContact O-N 3.29Å; I90-I93 PolarHBondContact O-N 2.96Å; I90-G94 PolarHBondContact O-N 2.91Å; I90-F216 HydrophobicContact CG2-CE1 4.47Å; I90-F216 HydrophobicContact CG2-CZ 4.07Å
91	P	97.9	Very high	97.7	Very high	35 Å²	35	61.4 Å²	61.4	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-29.9	178.6	23.7	-35.5	0	0	0	112.9	F75 C79 V83 V88 G95	F75-P91 HydrophobicContact CD1-CB 4.41Å; F75-P91 HydrophobicContact CE1-CB 4.42Å; C79-P91 HydrophobicContact CB-CB 4.44Å; V83-P91 HydrophobicContact CG2-CG 3.78Å; V88-P91 VanDerWaalsContact O-CD 3.29Å; V88-P91 WeakPolarHBondContact O-CD 3.4Å; V88-P91 WeakPolarHBondContact O-CG 3.46Å; P91-G95 PolarHBondContact O-N 3.19Å
92	V	98.3	Very high	97.9	Very high	94 Å²	94	61.8 Å²	61.8	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-66.4	-50.5	176.8	179.8	0	0	0	0	110.7	C89 I90 G95 V96	C89-V92 PolarHBondContact O-N 3.38Å; I90-V92 VanDerWaalsContact C-N 3.25Å; I90-V92 PolarHBondContact O-N 3.29Å; V92-G95 PolarHBondContact O-N 3.5Å; V92-V96 WeakPolarHBondContact O-CG2 3.43Å; V92-V96 PolarHBondContact O-N 2.97Å
93	I	98.4	Very high	97.9	Very high	82 Å²	82	64.1 Å²	64.1	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-48	178.1	-66.6	166.6	0	0	0	110.2	C89 I90 G95 V96 L97 F216	C89-I93 HydrophobicContact CB-CD1 4.34Å; C89-I93 WeakPolarHBondContact O-CG1 3.28Å; C89-I93 PolarHBondContact O-N 2.71Å; I90-I93 PolarHBondContact O-N 2.96Å; I93-G95 VanDerWaalsContact C-N 3.31Å; I93-G95 PolarHBondContact O-N 3.35Å; I93-V96 PolarHBondContact O-N 3.07Å; I93-L97 HydrophobicContact CG2-CD1 3.98Å; I93-L97 WeakPolarHBondContact O-CG 3.33Å; I93-L97 PolarHBondContact O-N 3.04Å; I93-F216 HydrophobicContact CB-CE2 4.41Å; I93-F216 HydrophobicContact CB-CZ 4.11Å; I93-F216 HydrophobicContact CG2-CD2 4.33Å; I93-F216 HydrophobicContact CG2-CE1 4.46Å; I93-F216 HydrophobicContact CG2-CE2 3.91Å; I93-F216 HydrophobicContact CG2-CZ 3.97Å
94	G	98.4	Very high	98	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-44.3	177.1	0	0	0	0	0	112.1	I90 L97 F98	I90-G94 PolarHBondContact O-N 2.91Å; G94-L97 PolarHBondContact O-N 2.84Å; G94-F98 VanDerWaalsContact O-CB 3.32Å; G94-F98 WeakPolarHBondContact O-CB 3.23Å; G94-F98 PolarHBondContact O-N 3.49Å
95	G	98.6	Very high	98.1	Very high	19 Å²	19	54.2 Å²	54.2	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-43.7	-179.3	0	0	0	0	0	112.6	P91 V92 I93 F98 L99	P91-G95 PolarHBondContact O-N 3.19Å; V92-G95 PolarHBondContact O-N 3.5Å; I93-G95 VanDerWaalsContact C-N 3.31Å; I93-G95 PolarHBondContact O-N 3.35Å; G95-F98 PolarHBondContact O-N 2.8Å; G95-L99 VanDerWaalsContact O-CG 3.3Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.33Å
96	V	98.7	Very high	98.2	Very high	97 Å²	97	51.8 Å²	51.8	59%	0.588	30%	0.299	S	S	*	.	H	α-helix	trans	-62.4	-46.2	176	171.4	0	0	0	0	111.1	V92 I93 F100	V92-V96 WeakPolarHBondContact O-CG2 3.43Å; V92-V96 PolarHBondContact O-N 2.97Å; I93-V96 PolarHBondContact O-N 3.07Å; V96-F100 WeakPolarHBondContact O-CB 2.93Å; V96-F100 PolarHBondContact O-N 3.1Å
97	L	98.7	Very high	98.3	Very high	39 Å²	39	52.3 Å²	52.3	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-46.4	177.1	-73	173.3	0	0	0	111.5	I93 G94 L99 F100 V101 F212 L213 F216	I93-L97 HydrophobicContact CG2-CD1 3.98Å; I93-L97 WeakPolarHBondContact O-CG 3.33Å; I93-L97 PolarHBondContact O-N 3.04Å; G94-L97 PolarHBondContact O-N 2.84Å; L97-L99 PolarHBondContact O-N 2.76Å; L97-F100 PolarHBondContact O-N 2.86Å; L97-V101 WeakPolarHBondContact O-CB 3.36Å; L97-V101 VanDerWaalsContact O-CG2 3.28Å; L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 3.18Å; L97-F212 HydrophobicContact CD2-CB 4.28Å; L97-L213 HydrophobicContact CB-CB 4.28Å; L97-L213 HydrophobicContact CB-CD1 3.82Å; L97-F216 HydrophobicContact CD1-CB 4.28Å; L97-F216 HydrophobicContact CD1-CD1 4.46Å; L97-F216 HydrophobicContact CD1-CG 4.31Å
98	F	98.8	Very high	98.4	Very high	44 Å²	44	49.6 Å²	49.6	19%	0.193	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-51.2	177.7	169.6	-104.4	0	0	0	112.2	I67 V68 S71 F75 G94 G95 F100 V101 V102 L213	I67-F98 HydrophobicContact CG2-CD2 4.06Å; I67-F98 HydrophobicContact CG2-CE2 3.99Å; V68-F98 HydrophobicContact CG2-CE2 4.22Å; V68-F98 HydrophobicContact CG2-CZ 4.21Å; S71-F98 WeakPolarHBondContact OG-CD2 2.99Å; F75-F98 HydrophobicContact CE2-CB 4.47Å; G94-F98 VanDerWaalsContact O-CB 3.32Å; G94-F98 WeakPolarHBondContact O-CB 3.23Å; G94-F98 PolarHBondContact O-N 3.49Å; G95-F98 PolarHBondContact O-N 2.8Å; F98-F100 VanDerWaalsContact C-N 3.3Å; F98-F100 PolarHBondContact O-N 3.05Å; F98-V101 PolarHBondContact O-N 2.96Å; F98-V102 HydrophobicContact CD2-CG2 4.1Å; F98-V102 HydrophobicContact CE1-CG2 4.4Å; F98-V102 HydrophobicContact CE2-CG2 3.69Å; F98-V102 HydrophobicContact CZ-CG2 3.86Å; F98-V102 WeakPolarHBondContact O-CG2 3.14Å; F98-V102 PolarHBondContact O-N 2.89Å; F98-L213 HydrophobicContact CB-CD2 4.47Å
99	L	98.8	Very high	98.4	Very high	116 Å²	116	45 Å²	45	61%	0.607	25%	0.249	S	C	*	.	H	α-helix	trans	-61.3	-41.1	179.5	-69.7	174.7	0	0	0	111.6	G95 L97 A103	G95-L99 VanDerWaalsContact O-CG 3.3Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.33Å; L97-L99 PolarHBondContact O-N 2.76Å; L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.26Å; L99-A103 PolarHBondContact O-N 3.14Å
100	F	98.8	Very high	98.4	Very high	99 Å²	99	44.5 Å²	44.5	43%	0.434	24%	0.239	S	C	.	.	H	α-helix	trans	-66.9	-40.6	178.6	-174.1	-92.5	0	0	0	112.7	V96 L97 F98 S104 S209	V96-F100 WeakPolarHBondContact O-CB 2.93Å; V96-F100 PolarHBondContact O-N 3.1Å; L97-F100 PolarHBondContact O-N 2.86Å; F98-F100 VanDerWaalsContact C-N 3.3Å; F98-F100 PolarHBondContact O-N 3.05Å; F100-S104 VanDerWaalsContact O-CB 3.28Å; F100-S104 WeakPolarHBondContact O-CB 3.42Å; F100-S104 PolarHBondContact O-N 2.63Å; F100-S104 PolarHBondContact O-OG 3.39Å; F100-S209 WeakPolarHBondContact CD1-OG 3.32Å
101	V	98.8	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-51.2	175.2	166.6	0	0	0	0	110.5	I67 L97 F98 A103 S104 L105 F206 S209 L210 L213	I67-V101 HydrophobicContact CD1-CG1 3.96Å; I67-V101 HydrophobicContact CG2-CG1 4.13Å; L97-V101 WeakPolarHBondContact O-CB 3.36Å; L97-V101 VanDerWaalsContact O-CG2 3.28Å; L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 3.18Å; F98-V101 PolarHBondContact O-N 2.96Å; V101-A103 PolarHBondContact O-N 3.45Å; V101-S104 PolarHBondContact O-N 2.87Å; V101-L105 WeakPolarHBondContact O-CB 3.39Å; V101-L105 PolarHBondContact O-N 3.12Å; V101-F206 HydrophobicContact CG1-CD2 4.12Å; V101-F206 HydrophobicContact CG1-CE2 4Å; V101-S209 VanDerWaalsContact CG2-C 3.46Å; V101-S209 WeakPolarHBondContact CG2-OG 3.41Å; V101-L210 HydrophobicContact CG1-CB 4.4Å; V101-L210 HydrophobicContact CG1-CD1 3.98Å; V101-L210 HydrophobicContact CG2-CB 4.43Å; V101-L213 HydrophobicContact CB-CD2 4.21Å; V101-L213 HydrophobicContact CG1-CD2 4.38Å; V101-L213 HydrophobicContact CG2-CB 4.13Å; V101-L213 HydrophobicContact CG2-CD2 3.93Å
102	V	98.8	Very high	98.3	Very high	25 Å²	25	43.5 Å²	43.5	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-46.7	179.9	173.1	0	0	0	0	110.4	L64 I67 F98 S104 L105 L106	L64-V102 HydrophobicContact CD1-CG1 4.38Å; I67-V102 HydrophobicContact CG2-CG2 4.22Å; F98-V102 HydrophobicContact CD2-CG2 4.1Å; F98-V102 HydrophobicContact CE1-CG2 4.4Å; F98-V102 HydrophobicContact CE2-CG2 3.69Å; F98-V102 HydrophobicContact CZ-CG2 3.86Å; F98-V102 WeakPolarHBondContact O-CG2 3.14Å; F98-V102 PolarHBondContact O-N 2.89Å; V102-S104 VanDerWaalsContact C-N 3.33Å; V102-S104 PolarHBondContact O-N 3.29Å; V102-L105 PolarHBondContact O-N 3.24Å; V102-L106 HydrophobicContact CG1-CD1 3.91Å; V102-L106 HydrophobicContact CG1-CG 4.26Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 2.83Å
103	A	98.6	Very high	98.3	Very high	50 Å²	50	39.1 Å²	39.1	41%	0.413	21%	0.207	S	C	.	.	H	α-helix	trans	-59.8	-43.1	177.2	0	0	0	0	0	112.1	L99 V101 R107	L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.26Å; L99-A103 PolarHBondContact O-N 3.14Å; V101-A103 PolarHBondContact O-N 3.45Å; A103-R107 WeakPolarHBondContact O-CB 3.21Å; A103-R107 VanDerWaalsContact O-CG 3.32Å; A103-R107 WeakPolarHBondContact O-CG 3.43Å; A103-R107 PolarHBondContact O-N 3.47Å
104	S	98.6	Very high	98.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-40.1	178.9	-63	0	0	0	0	112.4	F100 V101 V102 T108	F100-S104 VanDerWaalsContact O-CB 3.28Å; F100-S104 WeakPolarHBondContact O-CB 3.42Å; F100-S104 PolarHBondContact O-N 2.63Å; F100-S104 PolarHBondContact O-OG 3.39Å; V101-S104 PolarHBondContact O-N 2.87Å; V102-S104 VanDerWaalsContact C-N 3.33Å; V102-S104 PolarHBondContact O-N 3.29Å; S104-T108 WeakPolarHBondContact O-CB 3.45Å; S104-T108 PolarHBondContact O-N 2.91Å; S104-T108 PolarHBondContact O-OG1 3.31Å
105	L	98.6	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-55.2	173	176.1	58.4	0	0	0	110.7	L60 T63 L64 I67 V101 V102 R107 T108 S109 V191 F206	L60-L105 HydrophobicContact CD1-CD1 3.9Å; L60-L105 HydrophobicContact CD1-CD2 4.27Å; L60-L105 HydrophobicContact CD1-CG 4.16Å; T63-L105 HydrophobicContact CG2-CD1 4.43Å; T63-L105 HydrophobicContact CG2-CD2 4.01Å; L64-L105 HydrophobicContact CB-CD2 4.49Å; L64-L105 HydrophobicContact CD1-CD2 4.34Å; I67-L105 HydrophobicContact CD1-CD2 4.01Å; V101-L105 WeakPolarHBondContact O-CB 3.39Å; V101-L105 PolarHBondContact O-N 3.12Å; V102-L105 PolarHBondContact O-N 3.24Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.18Å; L105-T108 WeakPolarHBondContact O-CA 3.33Å; L105-T108 WeakPolarHBondContact O-CB 3.28Å; L105-T108 PolarHBondContact O-N 3.38Å; L105-S109 WeakPolarHBondContact O-CB 3.4Å; L105-S109 PolarHBondContact O-N 2.82Å; L105-S109 PolarHBondContact O-OG 3.26Å; L105-S109 VanDerWaalsContact O-OG 3.08Å; L105-V191 HydrophobicContact CD1-CB 4.36Å; L105-V191 HydrophobicContact CD1-CG1 4.09Å; L105-F206 HydrophobicContact CB-CD2 3.74Å; L105-F206 HydrophobicContact CB-CE2 3.81Å; L105-F206 HydrophobicContact CB-CG 4.36Å; L105-F206 HydrophobicContact CB-CZ 4.47Å; L105-F206 HydrophobicContact CD1-CD1 4.46Å; L105-F206 HydrophobicContact CD1-CD2 4.46Å; L105-F206 HydrophobicContact CD1-CE1 4.07Å; L105-F206 HydrophobicContact CD1-CE2 4.07Å; L105-F206 HydrophobicContact CD1-CZ 3.86Å; L105-F206 HydrophobicContact CD2-CE2 4.32Å; L105-F206 HydrophobicContact CG-CE2 4.28Å
106	L	98.2	Very high	98.1	Very high	56 Å²	56	35.1 Å²	35.1	29%	0.293	18%	0.183	S	C	.	.	H	α-helix	trans	-61.6	-39.7	-177.4	-63.3	179	0	0	0	111.9	V102 T108 S109 F110	V102-L106 HydrophobicContact CG1-CD1 3.91Å; V102-L106 HydrophobicContact CG1-CG 4.26Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 2.83Å; L106-T108 VanDerWaalsContact C-N 3.35Å; L106-S109 PolarHBondContact O-N 3.29Å; L106-F110 HydrophobicContact CB-CD2 4.19Å; L106-F110 HydrophobicContact CB-CE2 4.09Å; L106-F110 HydrophobicContact CD2-CE2 3.65Å; L106-F110 HydrophobicContact CD2-CZ 3.85Å; L106-F110 HydrophobicContact CG-CE2 4.33Å; L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 WeakPolarHBondContact O-CD2 3.39Å; L106-F110 WeakPolarHBondContact O-CG 3.47Å; L106-F110 PolarHBondContact O-N 3.28Å
107	R	97.9	Very high	98	Very high	106 Å²	106	33.9 Å²	33.9	40%	0.4	18%	0.177	S	C	.	.	H	α-helix	trans	-63.6	-40.2	173.1	-73.9	-162.1	-47.4	-167.7	-0.2	112	A103 L105 T111 Y202	A103-R107 WeakPolarHBondContact O-CB 3.21Å; A103-R107 VanDerWaalsContact O-CG 3.32Å; A103-R107 WeakPolarHBondContact O-CG 3.43Å; A103-R107 PolarHBondContact O-N 3.47Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.18Å; R107-T111 WeakPolarHBondContact O-CB 3.37Å; R107-T111 PolarHBondContact O-N 2.86Å; R107-T111 PolarHBondContact O-OG1 2.83Å; R107-Y202 HydrophobicContact CB-CD1 4.39Å; R107-Y202 HydrophobicContact CB-CD2 3.72Å; R107-Y202 HydrophobicContact CB-CE2 4.12Å; R107-Y202 HydrophobicContact CB-CG 3.83Å; R107-Y202 VanDerWaalsContact NE-CD1 3.27Å; R107-Y202 VanDerWaalsContact NE-CE1 3.31Å; R107-Y202 VanDerWaalsContact NH2-CE1 3.28Å
108	T	98.3	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-47.9	176.2	-57	0	0	0	0	111.1	S104 L105 L106 V191 N199 Y202 F203	S104-T108 WeakPolarHBondContact O-CB 3.45Å; S104-T108 PolarHBondContact O-N 2.91Å; S104-T108 PolarHBondContact O-OG1 3.31Å; L105-T108 WeakPolarHBondContact O-CA 3.33Å; L105-T108 WeakPolarHBondContact O-CB 3.28Å; L105-T108 PolarHBondContact O-N 3.38Å; L106-T108 VanDerWaalsContact C-N 3.35Å; T108-V191 HydrophobicContact CG2-CB 4.09Å; T108-V191 HydrophobicContact CG2-CG1 4.07Å; T108-V191 HydrophobicContact CG2-CG2 4.1Å; T108-N199 PolarHBondContact O-ND2 3.11Å; T108-Y202 VanDerWaalsContact OG1-CB 3.26Å; T108-Y202 WeakPolarHBondContact OG1-CB 3.48Å; T108-Y202 PolarHBondContact OG1-O 2.6Å; T108-F203 HydrophobicContact CG2-CB 3.65Å; T108-F203 HydrophobicContact CG2-CD2 4.17Å; T108-F203 HydrophobicContact CG2-CG 4.4Å; T108-F203 WeakPolarHBondContact OG1-CA 3.45Å; T108-F203 PolarHBondContact OG1-N 2.91Å
109	S	98.2	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-47	-176.4	-64.5	0	0	0	0	113	L60 L105 L106 V191 N193	L60-S109 WeakPolarHBondContact CD1-OG 3.48Å; L105-S109 WeakPolarHBondContact O-CB 3.4Å; L105-S109 PolarHBondContact O-N 2.82Å; L105-S109 PolarHBondContact O-OG 3.26Å; L105-S109 VanDerWaalsContact O-OG 3.08Å; L106-S109 PolarHBondContact O-N 3.29Å; S109-V191 WeakPolarHBondContact CA-O 3.33Å; S109-V191 WeakPolarHBondContact CB-O 3.28Å; S109-V191 PolarHBondContact OG-O 2.96Å; S109-N193 PolarHBondContact O-ND2 3.35Å
110	F	97.6	Very high	97.3	Very high	56 Å²	56	32.3 Å²	32.3	25%	0.246	17%	0.172	C	C	.	.	H	α-helix	trans	-97.4	-3.1	-168.8	-55	-30.6	0	0	0	115	L51 I52 L53 L60 L106	L51-F110 HydrophobicContact CB-CB 4.24Å; L51-F110 HydrophobicContact CB-CG 4.4Å; L51-F110 HydrophobicContact CD1-CD2 4.36Å; L51-F110 HydrophobicContact CD2-CB 3.83Å; L51-F110 HydrophobicContact CD2-CD2 4.02Å; L51-F110 HydrophobicContact CD2-CG 4.08Å; I52-F110 WeakPolarHBondContact CG2-O 3.47Å; I52-F110 PolarHBondContact N-O 3.46Å; I52-F110 WeakPolarHBondContact O-CA 3.45Å; L53-F110 HydrophobicContact CD1-CD1 3.88Å; L53-F110 HydrophobicContact CD1-CE1 3.73Å; L53-F110 HydrophobicContact CD2-CD1 3.86Å; L53-F110 HydrophobicContact CD2-CE1 3.88Å; L53-F110 HydrophobicContact CG-CD1 3.83Å; L53-F110 HydrophobicContact CG-CE1 4.05Å; L60-F110 HydrophobicContact CD2-CE1 4.2Å; L106-F110 HydrophobicContact CB-CD2 4.19Å; L106-F110 HydrophobicContact CB-CE2 4.09Å; L106-F110 HydrophobicContact CD2-CE2 3.65Å; L106-F110 HydrophobicContact CD2-CZ 3.85Å; L106-F110 HydrophobicContact CG-CE2 4.33Å; L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 WeakPolarHBondContact O-CD2 3.39Å; L106-F110 WeakPolarHBondContact O-CG 3.47Å; L106-F110 PolarHBondContact O-N 3.28Å
111	T	96	Very high	96.9	Very high	28 Å²	28	31.6 Å²	31.6	17%	0.172	18%	0.184	C	C	.	.	S	Bend	trans	-83.8	139.6	177.1	-63.6	0	0	0	0	110.5	R107 P113 N193 R198 N199 Y202	R107-T111 WeakPolarHBondContact O-CB 3.37Å; R107-T111 PolarHBondContact O-N 2.86Å; R107-T111 PolarHBondContact O-OG1 2.83Å; T111-P113 WeakPolarHBondContact O-CD 3.27Å; T111-N193 PolarHBondContact O-ND2 3.29Å; T111-N193 VanDerWaalsContact O-ND2 3.12Å; T111-R198 HydrophobicContact CG2-CB 4.47Å; T111-N199 HydrophobicContact CG2-CB 4.09Å; T111-Y202 HydrophobicContact CG2-CE2 4.41Å
112	D	97.3	Very high	96.6	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	22%	0.215	C	C	.	.			trans	-55.2	119.9	166.4	161.3	27.6	0	0	0	109	I52 G114 I115 R198 S317	I52-D112 HydrophobicContact CG2-CB 4.21Å; I52-D112 VanDerWaalsContact CG2-N 3.32Å; D112-G114 PolarHBondContact O-N 3.11Å; D112-G114 PolarHBondContact OD1-N 3.29Å; D112-I115 PolarHBondContact OD1-N 3.43Å; D112-R198 WeakPolarHBondContact O-CB 3.49Å; D112-R198 VanDerWaalsContact O-CD 3.29Å; D112-R198 WeakPolarHBondContact O-CD 3.24Å; D112-R198 PolarHBondContact O-NE 3.27Å; D112-R198 VanDerWaalsContact O-NE 3.14Å; D112-R198 VanDerWaalsContact OD2-CD 3.3Å; D112-R198 WeakPolarHBondContact OD2-CD 3.36Å; D112-R198 IonicContact OD2-NE 2.75Å; D112-R198 PolarHBondContact OD2-NE 3.19Å; D112-S317 WeakPolarHBondContact OD2-CB 3.26Å; D112-S317 PolarHBondContact OD2-OG 3Å
113	P	97.6	Very high	96.3	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.231	C	C	.	.			trans	-70.3	-10.2	-175	30.5	-37.2	0	0	0	113.8	T111 I115 V181 C194 G196 K197 R198	T111-P113 WeakPolarHBondContact O-CD 3.27Å; P113-I115 HydrophobicContact CG-CD1 4.46Å; P113-I115 HydrophobicContact CG-CG1 4Å; P113-V181 HydrophobicContact CB-CG1 4Å; P113-V181 HydrophobicContact CG-CG1 4.24Å; P113-V181 HydrophobicContact CG-CG2 4.31Å; P113-C194 HydrophobicContact CB-CB 4.04Å; P113-C194 WeakPolarHBondContact CB-O 3.38Å; P113-C194 HydrophobicContact CG-CB 4Å; P113-G196 CarbonylContact O-C 3.56Å; P113-G196 WeakPolarHBondContact O-CA 3.21Å; P113-K197 PolarHBondContact O-N 3.44Å; P113-K197 VanDerWaalsContact O-N 3.11Å; P113-R198 PolarHBondContact O-N 3.47Å; P113-R198 VanDerWaalsContact O-N 3.09Å
114	G	97.3	Very high	96	Very high	5 Å²	5	39.2 Å²	39.2	5%	0.052	22%	0.216	C	C	.	.			trans	115.7	43.3	-172.8	0	0	0	0	0	111.1	D112 L116 V181 E182	D112-G114 PolarHBondContact O-N 3.11Å; D112-G114 PolarHBondContact OD1-N 3.29Å; G114-L116 PolarHBondContact O-N 3.42Å; G114-V181 WeakPolarHBondContact O-CA 3.17Å; G114-E182 PolarHBondContact O-N 3.32Å
115	I	98.1	Very high	95.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-67.1	131.2	179.1	-61.6	168.9	0	0	0	109.4	F39 I52 D112 P113 N179 C180 V181 I319	F39-I115 HydrophobicContact CE1-CD1 4.35Å; F39-I115 HydrophobicContact CZ-CD1 4.07Å; F39-I115 HydrophobicContact CZ-CG2 3.97Å; I52-I115 HydrophobicContact CD1-CD1 3.54Å; D112-I115 PolarHBondContact OD1-N 3.43Å; P113-I115 HydrophobicContact CG-CD1 4.46Å; P113-I115 HydrophobicContact CG-CG1 4Å; I115-N179 HydrophobicContact CD1-CB 4.49Å; I115-N179 HydrophobicContact CG1-CB 4.26Å; I115-N179 HydrophobicContact CG2-CB 3.84Å; I115-C180 WeakPolarHBondContact CA-O 3.43Å; I115-V181 HydrophobicContact CG1-CG2 4.44Å; I115-I319 HydrophobicContact CB-CD1 4.27Å; I115-I319 HydrophobicContact CB-CG2 4.38Å; I115-I319 HydrophobicContact CD1-CD1 4.25Å; I115-I319 HydrophobicContact CG2-CG2 4.19Å
116	L	97.4	Very high	95.2	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-85.7	137.4	171.7	-60.4	-178.9	0	0	0	110	G114 M165 P168 T171 C180 E182 L318	G114-L116 PolarHBondContact O-N 3.42Å; L116-M165 HydrophobicContact CB-CE 4.22Å; L116-M165 HydrophobicContact CB-SD 4.23Å; L116-M165 HydrophobicContact CD1-CE 3.76Å; L116-M165 HydrophobicContact CD1-SD 4.44Å; L116-P168 HydrophobicContact CD1-CG 3.72Å; L116-T171 HydrophobicContact CD1-CG2 3.65Å; L116-C180 HydrophobicContact CB-CB 4.37Å; L116-C180 HydrophobicContact CD1-CB 4.43Å; L116-C180 PolarHBondContact N-O 3.49Å; L116-E182 HydrophobicContact CD2-CB 4.24Å; L116-L318 HydrophobicContact CD2-CD1 3.56Å
117	P	95.6	Very high	94.8	Very high	71 Å²	71	42.9 Å²	42.9	46%	0.461	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-60.3	146.1	170.9	27.3	-33.6	0	0	0	110
118	R	94.6	Very high	94.3	Very high	68 Å²	68	41.4 Å²	41.4	26%	0.257	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-69	149.8	172	-60.4	-171.2	175.8	-160.3	-9.3	108.8	P40 T120 C163 D178	P40-R118 HydrophobicContact CG-CG 4.2Å; P40-R118 PolarHBondContact O-NE 2.77Å; P40-R118 PolarHBondContact O-NH1 3.09Å; P40-R118 PolarHBondContact O-NH2 2.94Å; R118-T120 PolarHBondContact O-N 3.09Å; R118-C163 HydrophobicContact CG-CB 4.18Å; R118-D178 IonicContact CZ-OD2 3.36Å; R118-D178 VanDerWaalsContact NH2-CG 3.33Å; R118-D178 PolarHBondContact NH2-O 2.98Å; R118-D178 IonicContact NH2-OD1 3.27Å; R118-D178 IonicContact NH2-OD2 3.41Å; R118-D178 PolarHBondContact NH2-OD2 3.5Å
119	A	93.7	Very high	93.7	Very high	22 Å²	22	48.4 Å²	48.4	18%	0.182	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-58.4	138.2	172.6	0	0	0	0	0	109.7	E123 A124 C163 K164 M165	A119-E123 HydrophobicContact CB-CB 4.02Å; A119-A124 HydrophobicContact CB-CB 4.27Å; A119-C163 PolarHBondContact N-O 2.97Å; A119-K164 HydrophobicContact CB-CB 4.13Å; A119-K164 WeakPolarHBondContact CB-O 3.34Å; A119-M165 HydrophobicContact CB-CB 4.41Å
120	T	92.8	Very high	93.1	Very high	76 Å²	76	53.8 Å²	53.8	47%	0.466	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-60.7	163.8	168.3	58.9	0	0	0	0	110.3	R118 D122 E123 A124	R118-T120 PolarHBondContact O-N 3.09Å; T120-D122 PolarHBondContact O-N 2.86Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.43Å; T120-E123 PolarHBondContact N-OE2 2.92Å; T120-E123 PolarHBondContact O-N 3.03Å; T120-E123 WeakPolarHBondContact OG1-CB 3.45Å; T120-E123 VanDerWaalsContact OG1-CD 3.26Å; T120-E123 WeakPolarHBondContact OG1-CG 3.33Å; T120-E123 PolarHBondContact OG1-N 2.9Å; T120-E123 PolarHBondContact OG1-OE2 3.05Å; T120-A124 VanDerWaalsContact O-CB 3.27Å; T120-A124 WeakPolarHBondContact O-CB 3.49Å; T120-A124 PolarHBondContact O-N 3.27Å
121	A	91.6	Very high	92.4	Very high	83 Å²	83	51.6 Å²	51.6	69%	0.686	28%	0.279	S	S	*	.	H	α-helix	trans	-57.4	-40.6	178.8	0	0	0	0	0	111.8	A124 A125	A121-A124 PolarHBondContact O-N 2.93Å; A121-A125 WeakPolarHBondContact O-CB 3.32Å; A121-A125 PolarHBondContact O-N 3.24Å
122	D	92.5	Very high	91.7	Very high	122 Å²	122	55.4 Å²	55.4	65%	0.652	30%	0.298	S	S	*	.	H	α-helix	trans	-68.6	-47.1	179	-61.2	-28.8	0	0	0	111.6	T120 A124 A125 D126	T120-D122 PolarHBondContact O-N 2.86Å; D122-A124 VanDerWaalsContact C-N 3.31Å; D122-A124 PolarHBondContact O-N 2.93Å; D122-A125 PolarHBondContact O-N 3.21Å; D122-D126 PolarHBondContact O-N 2.92Å
123	E	92.3	Very high	90.7	Very high	102 Å²	102	61 Å²	61	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-41.1	175.2	-73.3	168.7	143.3	0	0	111.9	A119 T120 D126 I127	A119-E123 HydrophobicContact CB-CB 4.02Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.43Å; T120-E123 PolarHBondContact N-OE2 2.92Å; T120-E123 PolarHBondContact O-N 3.03Å; T120-E123 WeakPolarHBondContact OG1-CB 3.45Å; T120-E123 VanDerWaalsContact OG1-CD 3.26Å; T120-E123 WeakPolarHBondContact OG1-CG 3.33Å; T120-E123 PolarHBondContact OG1-N 2.9Å; T120-E123 PolarHBondContact OG1-OE2 3.05Å; E123-D126 PolarHBondContact O-N 2.97Å; E123-I127 WeakPolarHBondContact O-CB 3.45Å; E123-I127 WeakPolarHBondContact O-CD1 3.27Å; E123-I127 WeakPolarHBondContact O-CG1 3.27Å; E123-I127 PolarHBondContact O-N 3.43Å
124	A	91.4	Very high	89.2	Confident	11 Å²	11	65.6 Å²	65.6	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-44.4	177.5	0	0	0	0	0	111.2	A119 T120 A121 D122 D126 I127 E128 K164	A119-A124 HydrophobicContact CB-CB 4.27Å; T120-A124 VanDerWaalsContact O-CB 3.27Å; T120-A124 WeakPolarHBondContact O-CB 3.49Å; T120-A124 PolarHBondContact O-N 3.27Å; A121-A124 PolarHBondContact O-N 2.93Å; D122-A124 VanDerWaalsContact C-N 3.31Å; D122-A124 PolarHBondContact O-N 2.93Å; A124-D126 VanDerWaalsContact C-N 3.35Å; A124-I127 PolarHBondContact O-N 2.94Å; A124-E128 WeakPolarHBondContact O-CB 3.42Å; A124-E128 WeakPolarHBondContact O-CG 3.03Å; A124-E128 PolarHBondContact O-N 3.32Å; A124-K164 HydrophobicContact CB-CB 3.73Å; A124-K164 HydrophobicContact CB-CG 4.32Å
125	A	90.9	Very high	87.5	Confident	28 Å²	28	66.6 Å²	66.6	23%	0.231	38%	0.376	C	S	.	.	H	α-helix	trans	-63	-41.2	176.9	0	0	0	0	0	111.6	A121 D122 E128 R129	A121-A125 WeakPolarHBondContact O-CB 3.32Å; A121-A125 PolarHBondContact O-N 3.24Å; D122-A125 PolarHBondContact O-N 3.21Å; A125-E128 PolarHBondContact O-N 2.81Å; A125-R129 VanDerWaalsContact O-CG 3.26Å; A125-R129 WeakPolarHBondContact O-CG 3.19Å; A125-R129 PolarHBondContact O-N 2.77Å
126	D	90.7	Very high	85.5	Confident	77 Å²	77	70.8 Å²	70.8	41%	0.412	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-40.3	177	-74.4	-15	0	0	0	112.4	D122 E123 A124 R129 Q130	D122-D126 PolarHBondContact O-N 2.92Å; E123-D126 PolarHBondContact O-N 2.97Å; A124-D126 VanDerWaalsContact C-N 3.35Å; D126-R129 PolarHBondContact O-N 3Å; D126-R129 IonicContact OD1-CZ 2.81Å; D126-R129 IonicContact OD1-NH1 2.82Å; D126-R129 PolarHBondContact OD1-NH1 2.87Å; D126-Q130 VanDerWaalsContact O-CG 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.27Å; D126-Q130 PolarHBondContact O-N 2.73Å
127	I	88.8	Confident	83.6	Confident	30 Å²	30	76.6 Å²	76.6	15%	0.154	45%	0.446	C	S	.	.	H	α-helix	trans	-63.5	-43.3	174.6	-70.3	164.5	0	0	0	110.6	E123 A124 Q130 I131 Y159 F166	E123-I127 WeakPolarHBondContact O-CB 3.45Å; E123-I127 WeakPolarHBondContact O-CD1 3.27Å; E123-I127 WeakPolarHBondContact O-CG1 3.27Å; E123-I127 PolarHBondContact O-N 3.43Å; A124-I127 PolarHBondContact O-N 2.94Å; I127-Q130 PolarHBondContact O-N 2.95Å; I127-I131 HydrophobicContact CG2-CD1 3.78Å; I127-I131 HydrophobicContact CG2-CG1 4.47Å; I127-I131 WeakPolarHBondContact O-CD1 3.43Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 2.96Å; I127-Y159 HydrophobicContact CG2-CD2 4.14Å; I127-Y159 HydrophobicContact CG2-CE2 3.56Å; I127-F166 HydrophobicContact CG2-CD2 3.89Å; I127-F166 HydrophobicContact CG2-CE2 3.62Å
128	E	87.6	Confident	81.9	Confident	75 Å²	75	77.7 Å²	77.7	35%	0.35	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-44	177.6	-73.1	177.4	178	0	0	111.2	A124 A125 Q130 I131 D132 K164	A124-E128 WeakPolarHBondContact O-CB 3.42Å; A124-E128 WeakPolarHBondContact O-CG 3.03Å; A124-E128 PolarHBondContact O-N 3.32Å; A125-E128 PolarHBondContact O-N 2.81Å; E128-Q130 PolarHBondContact O-N 2.73Å; E128-I131 WeakPolarHBondContact O-CB 3.43Å; E128-I131 PolarHBondContact O-N 3.49Å; E128-D132 PolarHBondContact O-N 2.94Å; E128-K164 IonicContact OE1-NZ 2.77Å; E128-K164 PolarHBondContact OE1-NZ 3.19Å
129	R	86.8	Confident	80.1	Confident	147 Å²	147	86.1 Å²	86.1	56%	0.555	49%	0.485	S	S	*	.	H	α-helix	trans	-58.4	-42.8	173	-72.3	171.8	-170.5	127.1	3	113	A125 D126 I131 D132 T133	A125-R129 VanDerWaalsContact O-CG 3.26Å; A125-R129 WeakPolarHBondContact O-CG 3.19Å; A125-R129 PolarHBondContact O-N 2.77Å; D126-R129 PolarHBondContact O-N 3Å; D126-R129 IonicContact OD1-CZ 2.81Å; D126-R129 IonicContact OD1-NH1 2.82Å; D126-R129 PolarHBondContact OD1-NH1 2.87Å; R129-I131 VanDerWaalsContact C-N 3.34Å; R129-D132 PolarHBondContact O-N 3.32Å; R129-T133 WeakPolarHBondContact O-CB 3.42Å; R129-T133 PolarHBondContact O-N 2.94Å; R129-T133 PolarHBondContact O-OG1 3.39Å
130	Q	85.3	Confident	78.4	Confident	112 Å²	112	95.1 Å²	95.1	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177.5	-75.1	175.2	24.6	0	0	111.9	D126 I127 E128 S134	D126-Q130 VanDerWaalsContact O-CG 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.27Å; D126-Q130 PolarHBondContact O-N 2.73Å; I127-Q130 PolarHBondContact O-N 2.95Å; E128-Q130 PolarHBondContact O-N 2.73Å; Q130-S134 WeakPolarHBondContact O-CB 3.26Å; Q130-S134 PolarHBondContact O-N 3.39Å; Q130-S134 VanDerWaalsContact O-N 3.12Å; Q130-S134 PolarHBondContact O-OG 3.26Å
131	I	83	Confident	76.9	Confident	10 Å²	10	96.7 Å²	96.7	5%	0.051	53%	0.526	C	S	.	.	H	α-helix	trans	-63.4	-46	176.5	-71.9	164.7	0	0	0	110.1	I127 E128 R129 S134 P142 R144 Y159 F166	I127-I131 HydrophobicContact CG2-CD1 3.78Å; I127-I131 HydrophobicContact CG2-CG1 4.47Å; I127-I131 WeakPolarHBondContact O-CD1 3.43Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 2.96Å; E128-I131 WeakPolarHBondContact O-CB 3.43Å; E128-I131 PolarHBondContact O-N 3.49Å; R129-I131 VanDerWaalsContact C-N 3.34Å; I131-S134 PolarHBondContact O-N 3.49Å; I131-P142 HydrophobicContact CG2-CB 4.09Å; I131-P142 HydrophobicContact CG2-CG 3.61Å; I131-P142 VanDerWaalsContact O-CB 3.25Å; I131-P142 WeakPolarHBondContact O-CB 3.44Å; I131-P142 WeakPolarHBondContact O-CG 3.34Å; I131-R144 HydrophobicContact CG2-CG 4.14Å; I131-Y159 HydrophobicContact CD1-CD2 4.29Å; I131-Y159 HydrophobicContact CD1-CE2 4.38Å; I131-F166 HydrophobicContact CD1-CE2 4.1Å; I131-F166 HydrophobicContact CD1-CZ 3.8Å; I131-F166 HydrophobicContact CG1-CE2 4.13Å; I131-F166 HydrophobicContact CG1-CZ 3.77Å
132	D	80.7	Confident	75.6	Confident	108 Å²	108	94.1 Å²	94.1	58%	0.578	50%	0.502	S	S	*	.	H	α-helix	trans	-67.2	-39.5	-178.7	-67.4	-18.4	0	0	0	112	E128 R129 S134 G135	E128-D132 PolarHBondContact O-N 2.94Å; R129-D132 PolarHBondContact O-N 3.32Å; D132-S134 VanDerWaalsContact C-N 3.29Å; D132-S134 PolarHBondContact O-N 3.03Å; D132-G135 PolarHBondContact O-N 3.42Å
133	T	76.1	Confident	74.4	Confident	121 Å²	121	92.8 Å²	92.8	74%	0.742	50%	0.5	S	S	*	.	H	α-helix	trans	-68.2	-28.4	177.6	-52.5	0	0	0	0	112.6	R129 G135	R129-T133 WeakPolarHBondContact O-CB 3.42Å; R129-T133 PolarHBondContact O-N 2.94Å; R129-T133 PolarHBondContact O-OG1 3.39Å; T133-G135 VanDerWaalsContact C-N 3.25Å; T133-G135 PolarHBondContact O-N 2.97Å
134	S	66.3	Low	73.9	Confident	96 Å²	96	93.9 Å²	93.9	67%	0.671	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.7	178.2	-55.5	0	0	0	0	113.1	Q130 I131 D132	Q130-S134 WeakPolarHBondContact O-CB 3.26Å; Q130-S134 PolarHBondContact O-N 3.39Å; Q130-S134 VanDerWaalsContact O-N 3.12Å; Q130-S134 PolarHBondContact O-OG 3.26Å; I131-S134 PolarHBondContact O-N 3.49Å; D132-S134 VanDerWaalsContact C-N 3.29Å; D132-S134 PolarHBondContact O-N 3.03Å
135	G	60.9	Low	73.6	Confident	27 Å²	27	95.4 Å²	95.4	28%	0.278	51%	0.508	S	S	.	.	S	Bend	trans	-78.9	122	175.2	0	0	0	0	0	111.8	D132 T133	D132-G135 PolarHBondContact O-N 3.42Å; T133-G135 VanDerWaalsContact C-N 3.25Å; T133-G135 PolarHBondContact O-N 2.97Å
136	S	57.2	Low	73.5	Confident	89 Å²	89	99 Å²	99	62%	0.622	52%	0.519	S	S	*	.			trans	-56.3	147	161.4	168.7	0	0	0	0	109.6	T138	S136-T138 PolarHBondContact O-N 2.84Å
137	S	57.8	Low	73.4	Confident	133 Å²	133	101.3 Å²	101.3	93%	0.93	53%	0.527	S	S	*	.	S	Bend	trans	-62.1	28.9	177.2	-179.3	0	0	0	0	115
138	T	59.5	Low	73.4	Confident	94 Å²	94	102.2 Å²	102.2	58%	0.577	53%	0.532	S	S	*	.	S	Bend	trans	-102.2	147.4	173.8	48.3	0	0	0	0	108.9	S136 R140	S136-T138 PolarHBondContact O-N 2.84Å; T138-R140 PolarHBondContact O-N 3.24Å
139	Y	55.9	Low	73.6	Confident	246 Å²	246	104.8 Å²	104.8	97%	0.965	55%	0.547	S	S	*	.	S	Bend	trans	-61.3	12.5	-173.3	-153.7	-98.1	0	0	0	115.4
140	R	59.6	Low	73.6	Confident	211 Å²	211	99 Å²	99	80%	0.796	53%	0.527	S	S	*	.	S	Bend	trans	-95.7	130	176.6	-73.2	-171.6	-175.7	-165.8	2.3	109.8	T138	T138-R140 PolarHBondContact O-N 3.24Å
141	P	61.3	Low	73.5	Confident	109 Å²	109	99.5 Å²	99.5	71%	0.708	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-57.9	138.8	174.7	22.8	-31.3	0	0	0	110.2
142	P	63	Low	73.6	Confident	28 Å²	28	108 Å²	108	18%	0.182	57%	0.573	C	S	.	*	P	Polyproline II helix	trans	-57.1	143.8	-177.3	20.3	-32	0	0	0	111.4	I131 R144	I131-P142 HydrophobicContact CG2-CB 4.09Å; I131-P142 HydrophobicContact CG2-CG 3.61Å; I131-P142 VanDerWaalsContact O-CB 3.25Å; I131-P142 WeakPolarHBondContact O-CB 3.44Å; I131-P142 WeakPolarHBondContact O-CG 3.34Å; P142-R144 PolarHBondContact O-N 2.85Å
143	P	67.1	Low	73.8	Confident	94 Å²	94	105 Å²	105	61%	0.61	56%	0.555	S	S	*	*			trans	-63	114.7	179.4	25.9	-32.3	0	0	0	109.2	T145	P143-T145 PolarHBondContact O-N 3.16Å
144	R	83.3	Confident	74.3	Confident	125 Å²	125	103.7 Å²	103.7	47%	0.472	55%	0.547	S	S	.	.			trans	-77.4	50	177.9	-68.6	-179	173.6	150.8	-1.8	112.2	I131 P142 Y159 F161	I131-R144 HydrophobicContact CG2-CG 4.14Å; P142-R144 PolarHBondContact O-N 2.85Å; R144-Y159 WeakPolarHBondContact O-CB 3.44Å; R144-Y159 PolarHBondContact O-N 3.33Å; R144-F161 VanDerWaalsContact CD-CE1 3.45Å; R144-F161 VanDerWaalsContact CD-CZ 3.41Å; R144-F161 VanDerWaalsContact NH1-CZ 3.33Å
145	T	85.3	Confident	75.3	Confident	44 Å²	44	99.9 Å²	99.9	27%	0.27	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136	-177.1	56.4	0	0	0	0	109.8	P143 K156 L157	P143-T145 PolarHBondContact O-N 3.16Å; T145-K156 HydrophobicContact CG2-CD 4.41Å; T145-K156 VanDerWaalsContact CG2-CE 3.44Å; T145-K156 HydrophobicContact CG2-CG 4.24Å; T145-K156 WeakPolarHBondContact OG1-CE 3.24Å; T145-L157 CarbonylContact C-O 3.17Å; T145-L157 WeakPolarHBondContact CA-O 3.39Å; T145-L157 WeakPolarHBondContact CB-O 3.48Å
146	K	86.9	Confident	76.6	Confident	104 Å²	104	104.1 Å²	104.1	45%	0.452	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.5	-180	179.3	174.1	-178.4	171.6	0	108.7	L157 F166	K146-L157 HydrophobicContact CB-CB 4.32Å; K146-L157 PolarHBondContact N-O 3.46Å; K146-L157 VanDerWaalsContact N-O 3.07Å; K146-L157 WeakPolarHBondContact O-CA 3.12Å; K146-L157 VanDerWaalsContact O-CB 3.3Å; K146-L157 WeakPolarHBondContact O-CB 3.26Å; K146-L157 WeakPolarHBondContact O-CG 3.45Å; K146-L157 PolarHBondContact O-N 3.43Å; K146-F166 HydrophobicContact CB-CD1 3.91Å; K146-F166 HydrophobicContact CB-CE1 3.91Å; K146-F166 HydrophobicContact CB-CG 4.3Å; K146-F166 HydrophobicContact CB-CZ 4.29Å
147	E	89.3	Confident	78.3	Confident	124 Å²	124	100.8 Å²	100.8	58%	0.579	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	138	177.3	-70.3	178	-177.9	0	0	110	V154 K156	E147-V154 HydrophobicContact CB-CG1 3.93Å; E147-V154 HydrophobicContact CG-CG1 4.01Å; E147-K156 HydrophobicContact CG-CG 4.48Å
148	I	89.8	Confident	79.9	Confident	49 Å²	49	101 Å²	101	25%	0.251	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.6	173.9	67.6	164	0	0	0	109.5	I150 V155 L157 P169	I148-I150 HydrophobicContact CD1-CD1 4.05Å; I148-I150 HydrophobicContact CD1-CG1 4.03Å; I148-I150 HydrophobicContact CG1-CD1 4.49Å; I148-I150 HydrophobicContact CG1-CG1 4.27Å; I148-V155 HydrophobicContact CG1-CB 4.38Å; I148-V155 PolarHBondContact N-O 3.26Å; I148-V155 PolarHBondContact O-N 3.39Å; I148-L157 HydrophobicContact CD1-CD1 4.23Å; I148-L157 HydrophobicContact CD1-CD2 3.97Å; I148-L157 HydrophobicContact CD1-CG 4.35Å; I148-L157 HydrophobicContact CG1-CD1 4.41Å; I148-L157 HydrophobicContact CG1-CD2 4.11Å; I148-L157 HydrophobicContact CG1-CG 4.2Å; I148-L157 HydrophobicContact CG2-CD1 3.85Å; I148-L157 HydrophobicContact CG2-CG 4.27Å; I148-P169 HydrophobicContact CD1-CG 3.55Å
149	L	89.9	Confident	81.6	Confident	129 Å²	129	97 Å²	97	68%	0.675	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.7	174.8	-67.5	170	0	0	0	110.4	Q153 V154	L149-Q153 WeakPolarHBondContact CA-O 3.43Å; L149-V154 HydrophobicContact CD2-CB 4.48Å; L149-V154 HydrophobicContact CD2-CG2 3.61Å
150	I	87	Confident	83.5	Confident	27 Å²	27	85.3 Å²	85.3	14%	0.138	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.1	172.6	-57.5	-180	0	0	0	107.1	I148 Q152 Q153 V155 P169 P296 Y297	I148-I150 HydrophobicContact CD1-CD1 4.05Å; I148-I150 HydrophobicContact CD1-CG1 4.03Å; I148-I150 HydrophobicContact CG1-CD1 4.49Å; I148-I150 HydrophobicContact CG1-CG1 4.27Å; I150-Q152 PolarHBondContact O-N 3.05Å; I150-Q153 PolarHBondContact N-O 2.97Å; I150-Q153 WeakPolarHBondContact O-CB 3.5Å; I150-Q153 PolarHBondContact O-N 2.96Å; I150-V155 HydrophobicContact CB-CG2 4.21Å; I150-V155 HydrophobicContact CD1-CB 3.98Å; I150-V155 HydrophobicContact CD1-CG1 4.23Å; I150-V155 HydrophobicContact CD1-CG2 3.85Å; I150-V155 HydrophobicContact CG1-CB 4.36Å; I150-V155 HydrophobicContact CG1-CG2 4.15Å; I150-P169 HydrophobicContact CD1-CB 3.68Å; I150-P169 HydrophobicContact CD1-CG 3.57Å; I150-P296 HydrophobicContact CG2-CB 4.38Å; I150-Y297 HydrophobicContact CD1-CE1 4.09Å; I150-Y297 WeakPolarHBondContact CD1-OH 3.4Å; I150-Y297 HydrophobicContact CG2-CE1 3.96Å
151	N	84.8	Confident	85.1	Confident	122 Å²	122	80.5 Å²	80.5	65%	0.652	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	45.8	-176	-64.6	-19.6	0	0	0	112.3	Q153 P296	N151-Q153 PolarHBondContact O-N 3.22Å; N151-Q153 VanDerWaalsContact O-N 3.13Å; N151-P296 PolarHBondContact ND2-O 2.97Å
152	Q	84.3	Confident	86.7	Confident	189 Å²	189	78 Å²	78	88%	0.883	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	6.9	-178.9	-52.5	170	27	0	0	115.3	I150	I150-Q152 PolarHBondContact O-N 3.05Å
153	Q	84.6	Confident	88.3	Confident	44 Å²	44	76.7 Å²	76.7	21%	0.206	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.5	172.6	-62.6	-175.4	-10	0	0	111.2	L149 I150 N151 V155 S293 G294	L149-Q153 WeakPolarHBondContact CA-O 3.43Å; I150-Q153 PolarHBondContact N-O 2.97Å; I150-Q153 WeakPolarHBondContact O-CB 3.5Å; I150-Q153 PolarHBondContact O-N 2.96Å; N151-Q153 PolarHBondContact O-N 3.22Å; N151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-V155 PolarHBondContact O-N 3.23Å; Q153-S293 VanDerWaalsContact NE2-CA 3.33Å; Q153-S293 VanDerWaalsContact NE2-CB 3.31Å; Q153-G294 PolarHBondContact NE2-O 2.8Å; Q153-G294 VanDerWaalsContact NE2-O 3.08Å; Q153-G294 PolarHBondContact OE1-O 3Å
154	V	86.2	Confident	89.6	Confident	93 Å²	93	75.9 Å²	75.9	56%	0.564	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.2	176.9	-179.5	0	0	0	0	109.8	E147 L149	E147-V154 HydrophobicContact CB-CG1 3.93Å; E147-V154 HydrophobicContact CG-CG1 4.01Å; L149-V154 HydrophobicContact CD2-CB 4.48Å; L149-V154 HydrophobicContact CD2-CG2 3.61Å
155	V	87.1	Confident	90.1	Very high	16 Å²	16	71.4 Å²	71.4	10%	0.097	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.3	176.2	178	0	0	0	0	110	I148 I150 Q153 W284	I148-V155 HydrophobicContact CG1-CB 4.38Å; I148-V155 PolarHBondContact N-O 3.26Å; I148-V155 PolarHBondContact O-N 3.39Å; I150-V155 HydrophobicContact CB-CG2 4.21Å; I150-V155 HydrophobicContact CD1-CB 3.98Å; I150-V155 HydrophobicContact CD1-CG1 4.23Å; I150-V155 HydrophobicContact CD1-CG2 3.85Å; I150-V155 HydrophobicContact CG1-CB 4.36Å; I150-V155 HydrophobicContact CG1-CG2 4.15Å; Q153-V155 PolarHBondContact O-N 3.23Å; V155-W284 HydrophobicContact CG2-CH2 4.14Å; V155-W284 HydrophobicContact CG2-CZ3 4.47Å
156	K	88.8	Confident	90.6	Very high	117 Å²	117	71 Å²	71	51%	0.509	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	109.7	-178.4	-170.2	165.6	-176.1	155.9	0	111.6	T145 E147	T145-K156 HydrophobicContact CG2-CD 4.41Å; T145-K156 VanDerWaalsContact CG2-CE 3.44Å; T145-K156 HydrophobicContact CG2-CG 4.24Å; T145-K156 WeakPolarHBondContact OG1-CE 3.24Å; E147-K156 HydrophobicContact CG-CG 4.48Å
157	L	92.1	Very high	91.1	Very high	18 Å²	18	68.9 Å²	68.9	9%	0.094	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	141.1	172.5	-50.7	-173.3	0	0	0	110.3	T145 K146 I148 P169	T145-L157 CarbonylContact C-O 3.17Å; T145-L157 WeakPolarHBondContact CA-O 3.39Å; T145-L157 WeakPolarHBondContact CB-O 3.48Å; K146-L157 HydrophobicContact CB-CB 4.32Å; K146-L157 PolarHBondContact N-O 3.46Å; K146-L157 VanDerWaalsContact N-O 3.07Å; K146-L157 WeakPolarHBondContact O-CA 3.12Å; K146-L157 VanDerWaalsContact O-CB 3.3Å; K146-L157 WeakPolarHBondContact O-CB 3.26Å; K146-L157 WeakPolarHBondContact O-CG 3.45Å; K146-L157 PolarHBondContact O-N 3.43Å; I148-L157 HydrophobicContact CD1-CD1 4.23Å; I148-L157 HydrophobicContact CD1-CD2 3.97Å; I148-L157 HydrophobicContact CD1-CG 4.35Å; I148-L157 HydrophobicContact CG1-CD1 4.41Å; I148-L157 HydrophobicContact CG1-CD2 4.11Å; I148-L157 HydrophobicContact CG1-CG 4.2Å; I148-L157 HydrophobicContact CG2-CD1 3.85Å; I148-L157 HydrophobicContact CG2-CG 4.27Å; L157-P169 HydrophobicContact CD2-CG 3.99Å
158	K	92.5	Very high	91.4	Very high	138 Å²	138	65 Å²	65	60%	0.6	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.9	177.4	-62.9	-175.5	-179.7	-174.7	0	110.1	R167	K158-R167 WeakPolarHBondContact O-CB 3.31Å; K158-R167 VanDerWaalsContact O-CG 3.27Å; K158-R167 WeakPolarHBondContact O-CG 3.32Å; K158-R167 PolarHBondContact O-N 3.35Å
159	Y	94.4	Very high	91.6	Very high	10 Å²	10	64.5 Å²	64.5	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.6	172.7	-170.9	-113.8	0	0	0	111.9	I127 I131 R144 F161 K164 M165 F166	I127-Y159 HydrophobicContact CG2-CD2 4.14Å; I127-Y159 HydrophobicContact CG2-CE2 3.56Å; I131-Y159 HydrophobicContact CD1-CD2 4.29Å; I131-Y159 HydrophobicContact CD1-CE2 4.38Å; R144-Y159 WeakPolarHBondContact O-CB 3.44Å; R144-Y159 PolarHBondContact O-N 3.33Å; Y159-F161 AromaticContact CD1-CD1 3.74Å; Y159-F161 HydrophobicContact CD1-CD1 3.74Å; Y159-F161 AromaticContact CD1-CE1 3.57Å; Y159-F161 HydrophobicContact CD1-CE1 3.57Å; Y159-F161 HydrophobicContact CD1-CG 4.35Å; Y159-F161 HydrophobicContact CD1-CZ 4.1Å; Y159-F161 AromaticContact CE1-CD1 3.72Å; Y159-F161 HydrophobicContact CE1-CD1 3.72Å; Y159-F161 AromaticContact CE1-CE1 3.87Å; Y159-F161 HydrophobicContact CE1-CE1 3.87Å; Y159-K164 WeakPolarHBondContact OH-CA 3.23Å; Y159-K164 WeakPolarHBondContact OH-CD 3.28Å; Y159-M165 WeakPolarHBondContact CD2-O 3.17Å; Y159-F166 HydrophobicContact CD2-CD1 4.28Å; Y159-F166 HydrophobicContact CD2-CD2 4.38Å; Y159-F166 HydrophobicContact CD2-CE1 4.35Å; Y159-F166 HydrophobicContact CD2-CE2 4.47Å; Y159-F166 HydrophobicContact CD2-CG 4.3Å; Y159-F166 HydrophobicContact CD2-CZ 4.45Å
160	C	95.8	Very high	91.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.7	170.3	-174.2	0	0	0	0	110.1	C163 K164 M165 R167 H173 C180	C160-C163 HydrophobicContact CB-CB 4.19Å; C160-C163 PolarHBondContact SG-N 3.01Å; C160-C163 VanDerWaalsContact SG-N 3.4Å; C160-K164 VanDerWaalsContact O-CA 3.27Å; C160-K164 WeakPolarHBondContact O-CA 3.26Å; C160-K164 PolarHBondContact O-N 2.97Å; C160-M165 PolarHBondContact N-O 3.14Å; C160-M165 PolarHBondContact O-N 3.18Å; C160-R167 HydrophobicContact CB-CG 3.97Å; C160-H173 PolarHBondContact SG-ND1 2.7Å; C160-H173 VanDerWaalsContact SG-ND1 3.43Å; C160-C180 VanDerWaalsContact SG-SG 3.66Å
161	F	93.6	Very high	92.4	Very high	110 Å²	110	59.4 Å²	59.4	48%	0.482	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-34.5	178.1	-63.3	-70.2	0	0	0	113.7	R144 Y159 K164	R144-F161 VanDerWaalsContact CD-CE1 3.45Å; R144-F161 VanDerWaalsContact CD-CZ 3.41Å; R144-F161 VanDerWaalsContact NH1-CZ 3.33Å; Y159-F161 AromaticContact CD1-CD1 3.74Å; Y159-F161 HydrophobicContact CD1-CD1 3.74Å; Y159-F161 AromaticContact CD1-CE1 3.57Å; Y159-F161 HydrophobicContact CD1-CE1 3.57Å; Y159-F161 HydrophobicContact CD1-CG 4.35Å; Y159-F161 HydrophobicContact CD1-CZ 4.1Å; Y159-F161 AromaticContact CE1-CD1 3.72Å; Y159-F161 HydrophobicContact CE1-CD1 3.72Å; Y159-F161 AromaticContact CE1-CE1 3.87Å; Y159-F161 HydrophobicContact CE1-CE1 3.87Å; F161-K164 WeakPolarHBondContact O-CD 3.26Å; F161-K164 WeakPolarHBondContact O-CE 3.34Å
162	T	95.3	Very high	92.9	Very high	57 Å²	57	54.2 Å²	54.2	35%	0.35	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-45.4	179.7	-41.8	0	0	0	0	112.1	D178	T162-D178 VanDerWaalsContact CG2-OD1 3.26Å; T162-D178 WeakPolarHBondContact CG2-OD1 3.27Å
163	C	95.8	Very high	93.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.5	-176.7	-56.7	0	0	0	0	113.2	R118 A119 C160 M165	R118-C163 HydrophobicContact CG-CB 4.18Å; A119-C163 PolarHBondContact N-O 2.97Å; C160-C163 HydrophobicContact CB-CB 4.19Å; C160-C163 PolarHBondContact SG-N 3.01Å; C160-C163 VanDerWaalsContact SG-N 3.4Å; C163-M165 VanDerWaalsContact C-N 3.27Å; C163-M165 HydrophobicContact CB-CG 3.97Å; C163-M165 HydrophobicContact CB-SD 4.11Å; C163-M165 PolarHBondContact O-N 3.47Å
164	K	95.1	Very high	94.2	Very high	78 Å²	78	45.1 Å²	45.1	34%	0.339	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	38.4	178	-63.2	-67.3	-167.6	158.5	0	114.8	A119 A124 E128 Y159 C160 F161	A119-K164 HydrophobicContact CB-CB 4.13Å; A119-K164 WeakPolarHBondContact CB-O 3.34Å; A124-K164 HydrophobicContact CB-CB 3.73Å; A124-K164 HydrophobicContact CB-CG 4.32Å; E128-K164 IonicContact OE1-NZ 2.77Å; E128-K164 PolarHBondContact OE1-NZ 3.19Å; Y159-K164 WeakPolarHBondContact OH-CA 3.23Å; Y159-K164 WeakPolarHBondContact OH-CD 3.28Å; C160-K164 VanDerWaalsContact O-CA 3.27Å; C160-K164 WeakPolarHBondContact O-CA 3.26Å; C160-K164 PolarHBondContact O-N 2.97Å; F161-K164 WeakPolarHBondContact O-CD 3.26Å; F161-K164 WeakPolarHBondContact O-CE 3.34Å
165	M	94.6	Very high	94.7	Very high	30 Å²	30	44.5 Å²	44.5	15%	0.148	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.6	-176.9	65.8	-175.4	-63.1	0	0	112	L116 A119 Y159 C160 C163 R167 P168	L116-M165 HydrophobicContact CB-CE 4.22Å; L116-M165 HydrophobicContact CB-SD 4.23Å; L116-M165 HydrophobicContact CD1-CE 3.76Å; L116-M165 HydrophobicContact CD1-SD 4.44Å; A119-M165 HydrophobicContact CB-CB 4.41Å; Y159-M165 WeakPolarHBondContact CD2-O 3.17Å; C160-M165 PolarHBondContact N-O 3.14Å; C160-M165 PolarHBondContact O-N 3.18Å; C163-M165 VanDerWaalsContact C-N 3.27Å; C163-M165 HydrophobicContact CB-CG 3.97Å; C163-M165 HydrophobicContact CB-SD 4.11Å; C163-M165 PolarHBondContact O-N 3.47Å; M165-R167 PolarHBondContact O-N 2.93Å; M165-P168 HydrophobicContact CE-CG 4.31Å
166	F	95.4	Very high	95.2	Very high	37 Å²	37	47 Å²	47	16%	0.162	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.3	161.7	-75.7	-74.9	0	0	0	109.1	I127 I131 K146 Y159 P168	I127-F166 HydrophobicContact CG2-CD2 3.89Å; I127-F166 HydrophobicContact CG2-CE2 3.62Å; I131-F166 HydrophobicContact CD1-CE2 4.1Å; I131-F166 HydrophobicContact CD1-CZ 3.8Å; I131-F166 HydrophobicContact CG1-CE2 4.13Å; I131-F166 HydrophobicContact CG1-CZ 3.77Å; K146-F166 HydrophobicContact CB-CD1 3.91Å; K146-F166 HydrophobicContact CB-CE1 3.91Å; K146-F166 HydrophobicContact CB-CG 4.3Å; K146-F166 HydrophobicContact CB-CZ 4.29Å; Y159-F166 HydrophobicContact CD2-CD1 4.28Å; Y159-F166 HydrophobicContact CD2-CD2 4.38Å; Y159-F166 HydrophobicContact CD2-CE1 4.35Å; Y159-F166 HydrophobicContact CD2-CE2 4.47Å; Y159-F166 HydrophobicContact CD2-CG 4.3Å; Y159-F166 HydrophobicContact CD2-CZ 4.45Å; F166-P168 VanDerWaalsContact O-CD 3.32Å; F166-P168 WeakPolarHBondContact O-CD 3.25Å
167	R	95.9	Very high	95.6	Very high	58 Å²	58	41.5 Å²	41.5	22%	0.219	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-65.2	123.4	-178.2	-62.1	172	-163.5	-171	0.6	108.7	K158 C160 M165 T171	K158-R167 WeakPolarHBondContact O-CB 3.31Å; K158-R167 VanDerWaalsContact O-CG 3.27Å; K158-R167 WeakPolarHBondContact O-CG 3.32Å; K158-R167 PolarHBondContact O-N 3.35Å; C160-R167 HydrophobicContact CB-CG 3.97Å; M165-R167 PolarHBondContact O-N 2.93Å; R167-T171 HydrophobicContact CB-CG2 4.19Å
168	P	95.7	Very high	95.8	Very high	42 Å²	42	42.3 Å²	42.3	27%	0.273	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-56.3	163.8	172.2	-26.2	35.1	0	0	0	111.4	L116 M165 F166 R170 T171	L116-P168 HydrophobicContact CD1-CG 3.72Å; M165-P168 HydrophobicContact CE-CG 4.31Å; F166-P168 VanDerWaalsContact O-CD 3.32Å; F166-P168 WeakPolarHBondContact O-CD 3.25Å; P168-R170 PolarHBondContact O-N 3.02Å; P168-T171 WeakPolarHBondContact O-CB 3.39Å; P168-T171 PolarHBondContact O-N 2.82Å; P168-T171 VanDerWaalsContact O-N 3.07Å; P168-T171 PolarHBondContact O-OG1 3.5Å
169	P	94.8	Very high	96	Very high	40 Å²	40	35.8 Å²	35.8	26%	0.26	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	142.8	177.7	-26.7	36	0	0	0	112.4	I148 I150 L157 T171 Y297	I148-P169 HydrophobicContact CD1-CG 3.55Å; I150-P169 HydrophobicContact CD1-CB 3.68Å; I150-P169 HydrophobicContact CD1-CG 3.57Å; L157-P169 HydrophobicContact CD2-CG 3.99Å; P169-T171 PolarHBondContact O-N 3.14Å; P169-Y297 VanDerWaalsContact CB-OH 3.31Å; P169-Y297 WeakPolarHBondContact CB-OH 3.49Å
170	R	95.4	Very high	96.2	Very high	38 Å²	38	35.3 Å²	35.3	14%	0.143	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	11	-179.1	-42	-176.7	68.7	173.6	6.8	114.8	P168 R183 F184 N273 E278 Y297	P168-R170 PolarHBondContact O-N 3.02Å; R170-R183 CarbonylContact O-C 3.6Å; R170-R183 WeakPolarHBondContact O-CA 3.36Å; R170-R183 PolarHBondContact O-N 2.98Å; R170-F184 PolarHBondContact O-N 3.3Å; R170-N273 PolarHBondContact NH1-OD1 3.04Å; R170-N273 PolarHBondContact NH2-O 3.32Å; R170-E278 WeakPolarHBondContact CB-OE1 3.3Å; R170-E278 WeakPolarHBondContact CD-OE1 3.27Å; R170-E278 WeakPolarHBondContact CG-OE1 3.35Å; R170-E278 IonicContact CZ-OE1 3.38Å; R170-E278 IonicContact CZ-OE2 2.66Å; R170-E278 IonicContact NE-OE1 2.82Å; R170-E278 PolarHBondContact NE-OE1 3.09Å; R170-E278 IonicContact NE-OE2 3.51Å; R170-E278 PolarHBondContact NE-OE2 3.39Å; R170-E278 IonicContact NH2-OE1 3.46Å; R170-E278 IonicContact NH2-OE2 2.75Å; R170-E278 PolarHBondContact NH2-OE2 3.43Å; R170-Y297 HydrophobicContact CG-CD2 4.36Å; R170-Y297 HydrophobicContact CG-CE1 4.08Å; R170-Y297 HydrophobicContact CG-CE2 3.79Å
171	T	97.3	Very high	96.4	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	18%	0.184	C	C	.	.			trans	-90.6	137	176.1	-61.2	0	0	0	0	110.6	L116 R167 P168 P169 C180 V181	L116-T171 HydrophobicContact CD1-CG2 3.65Å; R167-T171 HydrophobicContact CB-CG2 4.19Å; P168-T171 WeakPolarHBondContact O-CB 3.39Å; P168-T171 PolarHBondContact O-N 2.82Å; P168-T171 VanDerWaalsContact O-N 3.07Å; P168-T171 PolarHBondContact O-OG1 3.5Å; P169-T171 PolarHBondContact O-N 3.14Å; T171-C180 HydrophobicContact CG2-CB 3.9Å; T171-V181 WeakPolarHBondContact CA-O 3.18Å; T171-V181 WeakPolarHBondContact CG2-O 3.41Å
172	S	97.4	Very high	96.6	Very high	13 Å²	13	32.3 Å²	32.3	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149	170.7	-67.7	0	0	0	0	111	V181 N277	S172-V181 PolarHBondContact N-O 2.75Å; S172-V181 PolarHBondContact O-N 2.89Å; S172-N277 PolarHBondContact OG-ND2 3.43Å
173	H	98.1	Very high	96.6	Very high	34 Å²	34	31.8 Å²	31.8	16%	0.157	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.6	172.8	-176.5	90.3	0	0	0	109.1	C160 D178	C160-H173 PolarHBondContact SG-ND1 2.7Å; C160-H173 VanDerWaalsContact SG-ND1 3.43Å; H173-D178 IonicContact CE1-OD1 3.37Å; H173-D178 IonicContact NE2-OD1 2.73Å
174	C	98	Very high	96.8	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.054	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.8	172.4	177.4	0	0	0	0	109	L176 C177 D178 N179 F184	C174-L176 VanDerWaalsContact C-N 3.26Å; C174-L176 PolarHBondContact O-N 3.09Å; C174-C177 HydrophobicContact CB-CB 4.39Å; C174-C177 PolarHBondContact O-N 3.2Å; C174-D178 VanDerWaalsContact O-CA 3.28Å; C174-D178 WeakPolarHBondContact O-CA 3.24Å; C174-D178 PolarHBondContact O-N 3.44Å; C174-N179 PolarHBondContact N-O 3.01Å; C174-N179 PolarHBondContact O-N 3.33Å; C174-F184 HydrophobicContact CB-CE2 3.97Å; C174-F184 HydrophobicContact CB-CZ 4.35Å
175	S	96.3	Very high	96.9	Very high	81 Å²	81	29.1 Å²	29.1	57%	0.566	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-24.7	-179.3	52.7	0	0	0	0	114.1	K42	K42-S175 PolarHBondContact NZ-O 3.34Å
176	L	96.3	Very high	97.1	Very high	68 Å²	68	29.5 Å²	29.5	36%	0.356	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-43	177.8	-60.2	176.4	0	0	0	111.6	K42 C174 H187	K42-L176 WeakPolarHBondContact CD-O 3.4Å; C174-L176 VanDerWaalsContact C-N 3.26Å; C174-L176 PolarHBondContact O-N 3.09Å; L176-H187 HydrophobicContact CD1-CB 4.22Å; L176-H187 WeakPolarHBondContact CD1-CD2 3.41Å
177	C	96.9	Very high	97.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-16.4	174.4	-65.4	0	0	0	0	112.9	K42 C174 N179 H187 C194	K42-C177 PolarHBondContact N-O 3.33Å; C174-C177 HydrophobicContact CB-CB 4.39Å; C174-C177 PolarHBondContact O-N 3.2Å; C177-N179 VanDerWaalsContact C-N 3.34Å; C177-N179 PolarHBondContact O-ND2 3.31Å; C177-H187 VanDerWaalsContact SG-CE1 3.53Å; C177-H187 PolarHBondContact SG-ND1 2.99Å; C177-C194 PolarHBondContact SG-SG 3.41Å
178	D	97.6	Very high	97.3	Very high	34 Å²	34	26.9 Å²	26.9	18%	0.182	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	42	-174.5	-161.8	45.2	0	0	0	113.7	K42 R118 T162 H173 C174	K42-D178 HydrophobicContact CB-CB 4.31Å; K42-D178 HydrophobicContact CD-CB 3.91Å; K42-D178 HydrophobicContact CG-CB 3.77Å; R118-D178 IonicContact CZ-OD2 3.36Å; R118-D178 VanDerWaalsContact NH2-CG 3.33Å; R118-D178 PolarHBondContact NH2-O 2.98Å; R118-D178 IonicContact NH2-OD1 3.27Å; R118-D178 IonicContact NH2-OD2 3.41Å; R118-D178 PolarHBondContact NH2-OD2 3.5Å; T162-D178 VanDerWaalsContact CG2-OD1 3.26Å; T162-D178 WeakPolarHBondContact CG2-OD1 3.27Å; H173-D178 IonicContact CE1-OD1 3.37Å; H173-D178 IonicContact NE2-OD1 2.73Å; C174-D178 VanDerWaalsContact O-CA 3.28Å; C174-D178 WeakPolarHBondContact O-CA 3.24Å; C174-D178 PolarHBondContact O-N 3.44Å
179	N	97.3	Very high	97.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.6	-175	-75.6	-53.3	0	0	0	111.8	F39 N43 I115 C174 C177	F39-N179 WeakPolarHBondContact CE1-ND2 3.48Å; N43-N179 PolarHBondContact OD1-ND2 2.83Å; I115-N179 HydrophobicContact CD1-CB 4.49Å; I115-N179 HydrophobicContact CG1-CB 4.26Å; I115-N179 HydrophobicContact CG2-CB 3.84Å; C174-N179 PolarHBondContact N-O 3.01Å; C174-N179 PolarHBondContact O-N 3.33Å; C177-N179 VanDerWaalsContact C-N 3.34Å; C177-N179 PolarHBondContact O-ND2 3.31Å
180	C	98.4	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127	162.4	-81.7	0	0	0	0	109.6	I115 L116 C160 T171	I115-C180 WeakPolarHBondContact CA-O 3.43Å; L116-C180 HydrophobicContact CB-CB 4.37Å; L116-C180 HydrophobicContact CD1-CB 4.43Å; L116-C180 PolarHBondContact N-O 3.49Å; C160-C180 VanDerWaalsContact SG-SG 3.66Å; T171-C180 HydrophobicContact CG2-CB 3.9Å
181	V	98.4	Very high	97.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.7	-179.9	179.4	0	0	0	0	109.1	P113 G114 I115 T171 S172 F184 C194	P113-V181 HydrophobicContact CB-CG1 4Å; P113-V181 HydrophobicContact CG-CG1 4.24Å; P113-V181 HydrophobicContact CG-CG2 4.31Å; G114-V181 WeakPolarHBondContact O-CA 3.17Å; I115-V181 HydrophobicContact CG1-CG2 4.44Å; T171-V181 WeakPolarHBondContact CA-O 3.18Å; T171-V181 WeakPolarHBondContact CG2-O 3.41Å; S172-V181 PolarHBondContact N-O 2.75Å; S172-V181 PolarHBondContact O-N 2.89Å; V181-F184 HydrophobicContact CB-CB 4.3Å; V181-F184 HydrophobicContact CB-CD2 3.92Å; V181-F184 HydrophobicContact CG1-CD2 4.25Å; V181-F184 HydrophobicContact CG2-CD2 4.44Å; V181-F184 WeakPolarHBondContact O-CB 3.43Å; V181-C194 HydrophobicContact CG2-CB 4.29Å
182	E	97.8	Very high	97.6	Very high	46 Å²	46	29.9 Å²	29.9	22%	0.215	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	140.1	178.1	-160.9	-174.7	-177.3	0	0	111	G114 L116 F184 K197	G114-E182 PolarHBondContact O-N 3.32Å; L116-E182 HydrophobicContact CD2-CB 4.24Å; E182-F184 PolarHBondContact O-N 3.16Å; E182-K197 HydrophobicContact CB-CB 4.33Å; E182-K197 HydrophobicContact CB-CD 4.31Å; E182-K197 HydrophobicContact CG-CD 3.89Å; E182-K197 WeakPolarHBondContact O-CB 3.47Å; E182-K197 PolarHBondContact O-N 3.44Å; E182-K197 IonicContact OE1-NZ 2.72Å; E182-K197 PolarHBondContact OE1-NZ 2.98Å; E182-K197 WeakPolarHBondContact OE2-CD 3.46Å; E182-K197 WeakPolarHBondContact OE2-CE 3.33Å; E182-K197 IonicContact OE2-NZ 3.79Å; E182-K197 PolarHBondContact OE2-NZ 3.36Å
183	R	97	Very high	97.6	Very high	46 Å²	46	29.3 Å²	29.3	17%	0.174	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	51.3	-172.9	-163.5	-179.2	176.4	-174.9	-2.3	110.7	R170 D185 G196 K197 N273 T275 T309	R170-R183 CarbonylContact O-C 3.6Å; R170-R183 WeakPolarHBondContact O-CA 3.36Å; R170-R183 PolarHBondContact O-N 2.98Å; R183-D185 PolarHBondContact O-N 3.22Å; R183-G196 WeakPolarHBondContact O-CA 3.35Å; R183-K197 HydrophobicContact CB-CB 3.81Å; R183-K197 HydrophobicContact CB-CG 4.26Å; R183-N273 PolarHBondContact NH2-OD1 2.95Å; R183-T275 HydrophobicContact CG-CG2 3.68Å; R183-T309 PolarHBondContact NH2-OG1 2.76Å
184	F	98.4	Very high	97.6	Very high	19 Å²	19	27.7 Å²	27.7	8%	0.083	14%	0.14	C	C	.	.			trans	-62	126.5	-176.2	176.3	-101.8	0	0	0	110	R170 C174 V181 E182 C194 T275 N277	R170-F184 PolarHBondContact O-N 3.3Å; C174-F184 HydrophobicContact CB-CE2 3.97Å; C174-F184 HydrophobicContact CB-CZ 4.35Å; V181-F184 HydrophobicContact CB-CB 4.3Å; V181-F184 HydrophobicContact CB-CD2 3.92Å; V181-F184 HydrophobicContact CG1-CD2 4.25Å; V181-F184 HydrophobicContact CG2-CD2 4.44Å; V181-F184 WeakPolarHBondContact O-CB 3.43Å; E182-F184 PolarHBondContact O-N 3.16Å; F184-C194 HydrophobicContact CE2-CB 4.39Å; F184-T275 PolarHBondContact O-OG1 3.45Å; F184-T275 VanDerWaalsContact O-OG1 3.1Å; F184-N277 HydrophobicContact CD1-CB 4.03Å; F184-N277 HydrophobicContact CE1-CB 4.41Å
185	D	98.5	Very high	97.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.011	14%	0.138	C	C	.	.			trans	-98.5	-65.5	176.3	-162.1	79.4	0	0	0	110.3	R183 V195 Y200 H266 T275 T276 N277	R183-D185 PolarHBondContact O-N 3.22Å; D185-V195 HydrophobicContact CB-CB 4.33Å; D185-V195 HydrophobicContact CB-CG1 4.23Å; D185-V195 WeakPolarHBondContact CB-O 3.07Å; D185-V195 PolarHBondContact N-O 3.03Å; D185-Y200 HydrophobicContact CB-CD2 4.11Å; D185-Y200 HydrophobicContact CB-CE2 4.25Å; D185-H266 IonicContact OD2-CE1 3.66Å; D185-H266 PolarHBondContact OD2-CE1 2.9Å; D185-T275 WeakPolarHBondContact OD1-CA 3.35Å; D185-T275 VanDerWaalsContact OD1-CB 3.24Å; D185-T275 WeakPolarHBondContact OD1-CB 3.47Å; D185-T276 PolarHBondContact OD1-N 3.45Å; D185-T276 PolarHBondContact OD1-OG1 2.95Å; D185-T276 VanDerWaalsContact OD2-CB 3.31Å; D185-T276 WeakPolarHBondContact OD2-CB 3.4Å; D185-T276 PolarHBondContact OD2-OG1 3.25Å; D185-N277 VanDerWaalsContact O-CB 3.25Å; D185-N277 WeakPolarHBondContact O-CB 3.42Å; D185-N277 PolarHBondContact O-N 2.84Å
186	H	98.2	Very high	97.8	Very high	39 Å²	39	23.5 Å²	23.5	18%	0.181	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	170.5	175.6	62.4	-79	0	0	0	111.3	C188 V195 F203	H186-C188 WeakPolarHBondContact NE2-CB 3.41Å; H186-V195 PolarHBondContact N-O 2.89Å; H186-V195 PolarHBondContact O-N 3.44Å; H186-F203 AromaticContact CE1-CE1 3.91Å; H186-F203 AromaticContact CE1-CZ 3.69Å; H186-F203 AromaticContact NE2-CZ 3.95Å
187	H	98.2	Very high	97.8	Very high	29 Å²	29	23.7 Å²	23.7	13%	0.134	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.7	164.2	-175.2	92.4	0	0	0	108.8	L176 C177 C194	L176-H187 HydrophobicContact CD1-CB 4.22Å; L176-H187 WeakPolarHBondContact CD1-CD2 3.41Å; C177-H187 VanDerWaalsContact SG-CE1 3.53Å; C177-H187 PolarHBondContact SG-ND1 2.99Å; H187-C194 PolarHBondContact ND1-SG 3.49Å
188	C	97.7	Very high	97.8	Very high	11 Å²	11	25.1 Å²	25.1	7%	0.074	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.4	-175.5	-174.9	0	0	0	0	110.9	H186 W190 V191 G192 N193 V195	H186-C188 WeakPolarHBondContact NE2-CB 3.41Å; C188-W190 VanDerWaalsContact C-N 3.29Å; C188-W190 PolarHBondContact O-N 3.37Å; C188-V191 HydrophobicContact CB-CG2 3.67Å; C188-V191 PolarHBondContact O-N 3.39Å; C188-G192 PolarHBondContact O-N 2.89Å; C188-G192 VanDerWaalsContact O-N 3.08Å; C188-N193 PolarHBondContact N-O 2.95Å; C188-N193 PolarHBondContact O-N 3.22Å; C188-V195 HydrophobicContact CB-CG2 4.08Å
189	P	96.6	Very high	97.9	Very high	53 Å²	53	23.5 Å²	23.5	34%	0.344	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-37.4	176.2	-24.9	35.1	0	0	0	112.8	V59 V191 G192	V59-P189 HydrophobicContact CB-CB 4.22Å; V59-P189 HydrophobicContact CG2-CB 4.06Å; P189-V191 VanDerWaalsContact C-N 3.32Å; P189-V191 PolarHBondContact O-N 3.48Å; P189-G192 WeakPolarHBondContact O-CA 3Å; P189-G192 PolarHBondContact O-N 3.37Å
190	W	97.3	Very high	97.9	Very high	139 Å²	139	23.9 Å²	23.9	53%	0.527	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.8	-177.7	-58.2	102.4	0	0	0	113.6	V59 L60 L62 T63 C188	V59-W190 HydrophobicContact CG1-CD2 3.76Å; V59-W190 HydrophobicContact CG1-CE3 3.33Å; V59-W190 HydrophobicContact CG1-CG 4.35Å; V59-W190 HydrophobicContact CG1-CH2 4.47Å; V59-W190 HydrophobicContact CG1-CZ3 3.75Å; L60-W190 WeakPolarHBondContact CA-O 3.29Å; L62-W190 HydrophobicContact CD2-CZ3 4.21Å; T63-W190 PolarHBondContact OG1-O 3.16Å; C188-W190 VanDerWaalsContact C-N 3.29Å; C188-W190 PolarHBondContact O-N 3.37Å
191	V	97.7	Very high	97.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.2	172.1	-48.3	0	0	0	0	112.1	L105 T108 S109 C188 P189 N193 V195 F203 F206	L105-V191 HydrophobicContact CD1-CB 4.36Å; L105-V191 HydrophobicContact CD1-CG1 4.09Å; T108-V191 HydrophobicContact CG2-CB 4.09Å; T108-V191 HydrophobicContact CG2-CG1 4.07Å; T108-V191 HydrophobicContact CG2-CG2 4.1Å; S109-V191 WeakPolarHBondContact CA-O 3.33Å; S109-V191 WeakPolarHBondContact CB-O 3.28Å; S109-V191 PolarHBondContact OG-O 2.96Å; C188-V191 HydrophobicContact CB-CG2 3.67Å; C188-V191 PolarHBondContact O-N 3.39Å; P189-V191 VanDerWaalsContact C-N 3.32Å; P189-V191 PolarHBondContact O-N 3.48Å; V191-N193 VanDerWaalsContact C-N 3.29Å; V191-N193 HydrophobicContact CG2-CB 4.38Å; V191-N193 PolarHBondContact O-N 3.35Å; V191-V195 HydrophobicContact CG2-CG2 4.38Å; V191-F203 HydrophobicContact CG1-CD2 4.21Å; V191-F203 HydrophobicContact CG1-CE2 4.46Å; V191-F206 HydrophobicContact CG1-CD1 4.47Å; V191-F206 HydrophobicContact CG1-CE1 4.27Å
192	G	97.3	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	25.4	-180	0	0	0	0	0	114.6	A54 C188 P189	A54-G192 WeakPolarHBondContact CB-O 3.43Å; A54-G192 PolarHBondContact N-O 2.98Å; C188-G192 PolarHBondContact O-N 2.89Å; C188-G192 VanDerWaalsContact O-N 3.08Å; P189-G192 WeakPolarHBondContact O-CA 3Å; P189-G192 PolarHBondContact O-N 3.37Å
193	N	98.2	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	168.5	-177.8	-156.3	-4	0	0	0	112.1	S109 T111 C188 V191	S109-N193 PolarHBondContact O-ND2 3.35Å; T111-N193 PolarHBondContact O-ND2 3.29Å; T111-N193 VanDerWaalsContact O-ND2 3.12Å; C188-N193 PolarHBondContact N-O 2.95Å; C188-N193 PolarHBondContact O-N 3.22Å; V191-N193 VanDerWaalsContact C-N 3.29Å; V191-N193 HydrophobicContact CG2-CB 4.38Å; V191-N193 PolarHBondContact O-N 3.35Å
194	C	98.4	Very high	98	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	149	163.7	-71.7	0	0	0	0	110.6	P113 C177 V181 F184 H187 N199	P113-C194 HydrophobicContact CB-CB 4.04Å; P113-C194 WeakPolarHBondContact CB-O 3.38Å; P113-C194 HydrophobicContact CG-CB 4Å; C177-C194 PolarHBondContact SG-SG 3.41Å; V181-C194 HydrophobicContact CG2-CB 4.29Å; F184-C194 HydrophobicContact CE2-CB 4.39Å; H187-C194 PolarHBondContact ND1-SG 3.49Å; C194-N199 PolarHBondContact O-ND2 3.42Å
195	V	98.7	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.4	166.2	-174.4	0	0	0	0	107.7	D185 H186 C188 V191 N199 Y200 F203	D185-V195 HydrophobicContact CB-CB 4.33Å; D185-V195 HydrophobicContact CB-CG1 4.23Å; D185-V195 WeakPolarHBondContact CB-O 3.07Å; D185-V195 PolarHBondContact N-O 3.03Å; H186-V195 PolarHBondContact N-O 2.89Å; H186-V195 PolarHBondContact O-N 3.44Å; C188-V195 HydrophobicContact CB-CG2 4.08Å; V191-V195 HydrophobicContact CG2-CG2 4.38Å; V195-N199 WeakPolarHBondContact CA-OD1 3.27Å; V195-Y200 HydrophobicContact CG1-CD2 3.73Å; V195-Y200 HydrophobicContact CG1-CG 4.42Å; V195-F203 HydrophobicContact CG1-CB 3.84Å; V195-F203 HydrophobicContact CG1-CD1 3.97Å; V195-F203 HydrophobicContact CG1-CG 3.86Å; V195-F203 HydrophobicContact CG2-CB 4.38Å; V195-F203 HydrophobicContact CG2-CD2 3.88Å; V195-F203 HydrophobicContact CG2-CE2 4.33Å; V195-F203 HydrophobicContact CG2-CG 4.01Å
196	G	98.1	Very high	98	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	12%	0.12	C	C	.	.			trans	-154.1	-166.6	-176.5	0	0	0	0	0	112.2	P113 R183 R198 N199 Y200	P113-G196 CarbonylContact O-C 3.56Å; P113-G196 WeakPolarHBondContact O-CA 3.21Å; R183-G196 WeakPolarHBondContact O-CA 3.35Å; G196-R198 PolarHBondContact O-N 2.84Å; G196-N199 PolarHBondContact N-OD1 3.22Å; G196-N199 PolarHBondContact O-N 3.42Å; G196-N199 PolarHBondContact O-OD1 3.1Å; G196-Y200 VanDerWaalsContact O-CB 3.23Å; G196-Y200 WeakPolarHBondContact O-CB 3.47Å; G196-Y200 PolarHBondContact O-N 3.19Å
197	K	97.6	Very high	98	Very high	72 Å²	72	24.8 Å²	24.8	31%	0.313	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-41.8	-170.7	-167.6	-179.9	-179.2	-178.6	0	114.8	P113 E182 R183 P315	P113-K197 PolarHBondContact O-N 3.44Å; P113-K197 VanDerWaalsContact O-N 3.11Å; E182-K197 HydrophobicContact CB-CB 4.33Å; E182-K197 HydrophobicContact CB-CD 4.31Å; E182-K197 HydrophobicContact CG-CD 3.89Å; E182-K197 WeakPolarHBondContact O-CB 3.47Å; E182-K197 PolarHBondContact O-N 3.44Å; E182-K197 IonicContact OE1-NZ 2.72Å; E182-K197 PolarHBondContact OE1-NZ 2.98Å; E182-K197 WeakPolarHBondContact OE2-CD 3.46Å; E182-K197 WeakPolarHBondContact OE2-CE 3.33Å; E182-K197 IonicContact OE2-NZ 3.79Å; E182-K197 PolarHBondContact OE2-NZ 3.36Å; R183-K197 HydrophobicContact CB-CB 3.81Å; R183-K197 HydrophobicContact CB-CG 4.26Å; K197-P315 HydrophobicContact CD-CG 4.16Å; K197-P315 HydrophobicContact CG-CG 4.25Å
198	R	97.5	Very high	98	Very high	31 Å²	31	25.4 Å²	25.4	12%	0.117	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-26	-170	-72.3	179.7	58.5	73.2	11.3	114.2	T111 D112 P113 G196 M314 P315 P316	T111-R198 HydrophobicContact CG2-CB 4.47Å; D112-R198 WeakPolarHBondContact O-CB 3.49Å; D112-R198 VanDerWaalsContact O-CD 3.29Å; D112-R198 WeakPolarHBondContact O-CD 3.24Å; D112-R198 PolarHBondContact O-NE 3.27Å; D112-R198 VanDerWaalsContact O-NE 3.14Å; D112-R198 VanDerWaalsContact OD2-CD 3.3Å; D112-R198 WeakPolarHBondContact OD2-CD 3.36Å; D112-R198 IonicContact OD2-NE 2.75Å; D112-R198 PolarHBondContact OD2-NE 3.19Å; P113-R198 PolarHBondContact O-N 3.47Å; P113-R198 VanDerWaalsContact O-N 3.09Å; G196-R198 PolarHBondContact O-N 2.84Å; R198-M314 WeakPolarHBondContact O-CE 3.44Å; R198-P315 HydrophobicContact CG-CG 4.12Å; R198-P315 PolarHBondContact NH1-O 2.97Å; R198-P316 PolarHBondContact NH1-O 3.18Å
199	N	97.8	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-6.1	-176.3	69.2	-15.6	0	0	0	114	T108 T111 C194 V195 G196 R201 Y202 F203	T108-N199 PolarHBondContact O-ND2 3.11Å; T111-N199 HydrophobicContact CG2-CB 4.09Å; C194-N199 PolarHBondContact O-ND2 3.42Å; V195-N199 WeakPolarHBondContact CA-OD1 3.27Å; G196-N199 PolarHBondContact N-OD1 3.22Å; G196-N199 PolarHBondContact O-N 3.42Å; G196-N199 PolarHBondContact O-OD1 3.1Å; N199-R201 VanDerWaalsContact C-N 3.3Å; N199-R201 PolarHBondContact O-N 3.17Å; N199-Y202 HydrophobicContact CB-CD2 4.42Å; N199-Y202 WeakPolarHBondContact O-CB 3.35Å; N199-Y202 PolarHBondContact O-N 2.93Å; N199-F203 PolarHBondContact O-N 3.41Å
200	Y	98.3	Very high	98.2	Very high	11 Å²	11	23.6 Å²	23.6	4%	0.043	10%	0.104	C	C	.	.	H	α-helix	trans	-54	-41.8	-180	-173.3	-86.4	0	0	0	113.5	D185 V195 G196 Y202 F203 Y204 H266 V270 T309	D185-Y200 HydrophobicContact CB-CD2 4.11Å; D185-Y200 HydrophobicContact CB-CE2 4.25Å; V195-Y200 HydrophobicContact CG1-CD2 3.73Å; V195-Y200 HydrophobicContact CG1-CG 4.42Å; G196-Y200 VanDerWaalsContact O-CB 3.23Å; G196-Y200 WeakPolarHBondContact O-CB 3.47Å; G196-Y200 PolarHBondContact O-N 3.19Å; Y200-Y202 PolarHBondContact O-N 2.91Å; Y200-F203 WeakPolarHBondContact O-CB 2.94Å; Y200-F203 PolarHBondContact O-N 2.99Å; Y200-F203 VanDerWaalsContact O-N 3.16Å; Y200-Y204 WeakPolarHBondContact O-CB 3.41Å; Y200-Y204 PolarHBondContact O-N 2.95Å; Y200-H266 AromaticContact CE2-ND1 3.88Å; Y200-H266 AromaticContact CZ-ND1 3.83Å; Y200-H266 PolarHBondContact OH-ND1 3Å; Y200-V270 HydrophobicContact CE1-CG2 3.53Å; Y200-V270 WeakPolarHBondContact OH-CG2 3.23Å; Y200-T309 HydrophobicContact CD1-CG2 3.78Å; Y200-T309 HydrophobicContact CE1-CG2 3.85Å
201	R	97.6	Very high	98.2	Very high	47 Å²	47	17.5 Å²	17.5	18%	0.177	8%	0.082	C	C	.	.	H	α-helix	trans	-60.2	-35.6	178.6	76.1	-179.3	69.2	-169	-4.1	112.4	N199 S205 L310 G312 P313	N199-R201 VanDerWaalsContact C-N 3.3Å; N199-R201 PolarHBondContact O-N 3.17Å; R201-S205 PolarHBondContact O-N 3.01Å; R201-S205 PolarHBondContact O-OG 3.08Å; R201-S205 VanDerWaalsContact O-OG 3.05Å; R201-L310 HydrophobicContact CB-CD2 4.45Å; R201-G312 PolarHBondContact NH1-O 2.99Å; R201-G312 PolarHBondContact NH2-O 3.34Å; R201-P313 PolarHBondContact NH2-O 3.4Å
202	Y	98.3	Very high	98.3	Very high	35 Å²	35	23.7 Å²	23.7	14%	0.137	11%	0.109	C	C	.	.	H	α-helix	trans	-74.8	-38.9	178.7	-54.5	-37.7	0	0	0	110.9	R107 T108 T111 N199 Y200 Y204 S205 F206 M314	R107-Y202 HydrophobicContact CB-CD1 4.39Å; R107-Y202 HydrophobicContact CB-CD2 3.72Å; R107-Y202 HydrophobicContact CB-CE2 4.12Å; R107-Y202 HydrophobicContact CB-CG 3.83Å; R107-Y202 VanDerWaalsContact NE-CD1 3.27Å; R107-Y202 VanDerWaalsContact NE-CE1 3.31Å; R107-Y202 VanDerWaalsContact NH2-CE1 3.28Å; T108-Y202 VanDerWaalsContact OG1-CB 3.26Å; T108-Y202 WeakPolarHBondContact OG1-CB 3.48Å; T108-Y202 PolarHBondContact OG1-O 2.6Å; T111-Y202 HydrophobicContact CG2-CE2 4.41Å; N199-Y202 HydrophobicContact CB-CD2 4.42Å; N199-Y202 WeakPolarHBondContact O-CB 3.35Å; N199-Y202 PolarHBondContact O-N 2.93Å; Y200-Y202 PolarHBondContact O-N 2.91Å; Y202-Y204 VanDerWaalsContact C-N 3.33Å; Y202-S205 PolarHBondContact O-N 3.01Å; Y202-F206 VanDerWaalsContact O-CB 3.24Å; Y202-F206 WeakPolarHBondContact O-CB 3.41Å; Y202-F206 PolarHBondContact O-N 3.27Å; Y202-M314 HydrophobicContact CE1-CE 4.32Å; Y202-M314 HydrophobicContact CE2-CE 3.49Å; Y202-M314 VanDerWaalsContact CE2-CE 3.49Å; Y202-M314 WeakPolarHBondContact OH-CE 3.37Å
203	F	98.6	Very high	98.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-60.2	-46.4	173.6	172.9	-100.6	0	0	0	110.6	T108 H186 V191 V195 N199 Y200 F206 I207 L262 H266	T108-F203 HydrophobicContact CG2-CB 3.65Å; T108-F203 HydrophobicContact CG2-CD2 4.17Å; T108-F203 HydrophobicContact CG2-CG 4.4Å; T108-F203 WeakPolarHBondContact OG1-CA 3.45Å; T108-F203 PolarHBondContact OG1-N 2.91Å; H186-F203 AromaticContact CE1-CE1 3.91Å; H186-F203 AromaticContact CE1-CZ 3.69Å; H186-F203 AromaticContact NE2-CZ 3.95Å; V191-F203 HydrophobicContact CG1-CD2 4.21Å; V191-F203 HydrophobicContact CG1-CE2 4.46Å; V195-F203 HydrophobicContact CG1-CB 3.84Å; V195-F203 HydrophobicContact CG1-CD1 3.97Å; V195-F203 HydrophobicContact CG1-CG 3.86Å; V195-F203 HydrophobicContact CG2-CB 4.38Å; V195-F203 HydrophobicContact CG2-CD2 3.88Å; V195-F203 HydrophobicContact CG2-CE2 4.33Å; V195-F203 HydrophobicContact CG2-CG 4.01Å; N199-F203 PolarHBondContact O-N 3.41Å; Y200-F203 WeakPolarHBondContact O-CB 2.94Å; Y200-F203 PolarHBondContact O-N 2.99Å; Y200-F203 VanDerWaalsContact O-N 3.16Å; F203-F206 WeakPolarHBondContact O-CB 3.35Å; F203-F206 PolarHBondContact O-N 2.85Å; F203-I207 HydrophobicContact CD1-CD1 4.45Å; F203-I207 HydrophobicContact CD2-CG2 4.39Å; F203-I207 HydrophobicContact CE1-CD1 3.9Å; F203-I207 HydrophobicContact CE1-CG2 4.29Å; F203-I207 HydrophobicContact CE2-CG2 3.89Å; F203-I207 HydrophobicContact CZ-CD1 4.33Å; F203-I207 HydrophobicContact CZ-CG2 3.83Å; F203-I207 PolarHBondContact O-N 2.56Å; F203-L262 HydrophobicContact CZ-CD2 4.43Å; F203-H266 AromaticContact CE1-CD2 3.74Å; F203-H266 AromaticContact CE1-CE1 3.52Å; F203-H266 AromaticContact CE1-CG 3.94Å; F203-H266 AromaticContact CE1-ND1 3.8Å; F203-H266 AromaticContact CE1-NE2 3.45Å; F203-H266 WeakPolarHBondContact CE1-NE2 3.18Å; F203-H266 AromaticContact CZ-NE2 3.81Å
204	Y	98.6	Very high	98.4	Very high	35 Å²	35	24.6 Å²	24.6	14%	0.137	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-48.8	176.3	-175.5	-99.1	0	0	0	111.8	Y200 Y202 F206 I207 I208 H266 T267 V270 L310	Y200-Y204 WeakPolarHBondContact O-CB 3.41Å; Y200-Y204 PolarHBondContact O-N 2.95Å; Y202-Y204 VanDerWaalsContact C-N 3.33Å; Y204-F206 VanDerWaalsContact C-N 3.26Å; Y204-F206 PolarHBondContact O-N 3.36Å; Y204-I207 HydrophobicContact CD2-CD1 4.4Å; Y204-I207 VanDerWaalsContact O-CG1 3.28Å; Y204-I207 WeakPolarHBondContact O-CG1 3.21Å; Y204-I207 PolarHBondContact O-N 3.14Å; Y204-I208 HydrophobicContact CD1-CG1 4.19Å; Y204-I208 HydrophobicContact CD2-CG1 4.35Å; Y204-I208 HydrophobicContact CE1-CG1 3.79Å; Y204-I208 HydrophobicContact CE2-CD1 4.1Å; Y204-I208 HydrophobicContact CE2-CG1 3.95Å; Y204-I208 HydrophobicContact CG-CG1 4.46Å; Y204-I208 WeakPolarHBondContact O-CB 3.24Å; Y204-I208 VanDerWaalsContact O-CG1 3.28Å; Y204-I208 WeakPolarHBondContact O-CG1 3.46Å; Y204-I208 PolarHBondContact O-N 2.85Å; Y204-I208 VanDerWaalsContact O-N 3.09Å; Y204-H266 HydrophobicContact CD2-CB 4.19Å; Y204-H266 HydrophobicContact CE2-CB 4.43Å; Y204-T267 PolarHBondContact OH-OG1 3.19Å; Y204-V270 HydrophobicContact CD2-CG2 4.08Å; Y204-V270 HydrophobicContact CE2-CG2 4.2Å; Y204-L310 HydrophobicContact CD1-CD1 3.65Å; Y204-L310 HydrophobicContact CD1-CD2 3.53Å; Y204-L310 HydrophobicContact CD1-CG 4.26Å; Y204-L310 HydrophobicContact CE1-CD1 3.49Å; Y204-L310 VanDerWaalsContact CE1-CD1 3.49Å; Y204-L310 HydrophobicContact CE1-CD2 4.24Å; Y204-L310 HydrophobicContact CG-CD2 3.83Å
205	S	98.5	Very high	98.4	Very high	37 Å²	37	26.4 Å²	26.4	26%	0.259	13%	0.127	S	C	.	.	H	α-helix	trans	-58.9	-38.6	174.5	-63.4	0	0	0	0	112.3	R201 Y202 S209	R201-S205 PolarHBondContact O-N 3.01Å; R201-S205 PolarHBondContact O-OG 3.08Å; R201-S205 VanDerWaalsContact O-OG 3.05Å; Y202-S205 PolarHBondContact O-N 3.01Å; S205-S209 VanDerWaalsContact O-CB 3.26Å; S205-S209 WeakPolarHBondContact O-CB 3.27Å; S205-S209 PolarHBondContact O-N 3.34Å; S205-S209 PolarHBondContact O-OG 3.48Å
206	F	98.8	Very high	98.3	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.044	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-53.8	177.4	163.7	-116.3	0	0	0	111.6	T63 I67 V101 L105 V191 Y202 F203 Y204 I208 S209 L210	T63-F206 HydrophobicContact CG2-CZ 4.1Å; I67-F206 HydrophobicContact CD1-CE2 3.98Å; I67-F206 HydrophobicContact CD1-CZ 4.42Å; V101-F206 HydrophobicContact CG1-CD2 4.12Å; V101-F206 HydrophobicContact CG1-CE2 4Å; L105-F206 HydrophobicContact CB-CD2 3.74Å; L105-F206 HydrophobicContact CB-CE2 3.81Å; L105-F206 HydrophobicContact CB-CG 4.36Å; L105-F206 HydrophobicContact CB-CZ 4.47Å; L105-F206 HydrophobicContact CD1-CD1 4.46Å; L105-F206 HydrophobicContact CD1-CD2 4.46Å; L105-F206 HydrophobicContact CD1-CE1 4.07Å; L105-F206 HydrophobicContact CD1-CE2 4.07Å; L105-F206 HydrophobicContact CD1-CZ 3.86Å; L105-F206 HydrophobicContact CD2-CE2 4.32Å; L105-F206 HydrophobicContact CG-CE2 4.28Å; V191-F206 HydrophobicContact CG1-CD1 4.47Å; V191-F206 HydrophobicContact CG1-CE1 4.27Å; Y202-F206 VanDerWaalsContact O-CB 3.24Å; Y202-F206 WeakPolarHBondContact O-CB 3.41Å; Y202-F206 PolarHBondContact O-N 3.27Å; F203-F206 WeakPolarHBondContact O-CB 3.35Å; F203-F206 PolarHBondContact O-N 2.85Å; Y204-F206 VanDerWaalsContact C-N 3.26Å; Y204-F206 PolarHBondContact O-N 3.36Å; F206-I208 PolarHBondContact O-N 3.13Å; F206-S209 PolarHBondContact O-N 3.47Å; F206-S209 PolarHBondContact O-OG 2.97Å; F206-L210 HydrophobicContact CE1-CD2 4.47Å; F206-L210 HydrophobicContact CE2-CB 4.3Å; F206-L210 HydrophobicContact CE2-CD2 3.95Å; F206-L210 HydrophobicContact CZ-CD2 3.74Å; F206-L210 WeakPolarHBondContact O-CB 3.49Å; F206-L210 PolarHBondContact O-N 2.82Å
207	I	98.6	Very high	98.4	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-39.8	-177.5	63.4	-178.7	0	0	0	112	F203 Y204 L210 S211 L262 S263 H266	F203-I207 HydrophobicContact CD1-CD1 4.45Å; F203-I207 HydrophobicContact CD2-CG2 4.39Å; F203-I207 HydrophobicContact CE1-CD1 3.9Å; F203-I207 HydrophobicContact CE1-CG2 4.29Å; F203-I207 HydrophobicContact CE2-CG2 3.89Å; F203-I207 HydrophobicContact CZ-CD1 4.33Å; F203-I207 HydrophobicContact CZ-CG2 3.83Å; F203-I207 PolarHBondContact O-N 2.56Å; Y204-I207 HydrophobicContact CD2-CD1 4.4Å; Y204-I207 VanDerWaalsContact O-CG1 3.28Å; Y204-I207 WeakPolarHBondContact O-CG1 3.21Å; Y204-I207 PolarHBondContact O-N 3.14Å; I207-L210 PolarHBondContact O-N 2.66Å; I207-S211 PolarHBondContact O-N 3.16Å; I207-S211 PolarHBondContact O-OG 3.06Å; I207-S211 VanDerWaalsContact O-OG 3.09Å; I207-L262 HydrophobicContact CD1-CG 4.49Å; I207-L262 HydrophobicContact CG2-CD2 3.93Å; I207-S263 VanDerWaalsContact C-OG 3.26Å; I207-S263 PolarHBondContact O-OG 3.44Å; I207-H266 HydrophobicContact CD1-CB 3.57Å
208	I	98.6	Very high	98.4	Very high	41 Å²	41	27.7 Å²	27.7	21%	0.21	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-48.3	178.9	-64.6	-62.6	0	0	0	110.9	Y204 F206 L210 S211 F212	Y204-I208 HydrophobicContact CD1-CG1 4.19Å; Y204-I208 HydrophobicContact CD2-CG1 4.35Å; Y204-I208 HydrophobicContact CE1-CG1 3.79Å; Y204-I208 HydrophobicContact CE2-CD1 4.1Å; Y204-I208 HydrophobicContact CE2-CG1 3.95Å; Y204-I208 HydrophobicContact CG-CG1 4.46Å; Y204-I208 WeakPolarHBondContact O-CB 3.24Å; Y204-I208 VanDerWaalsContact O-CG1 3.28Å; Y204-I208 WeakPolarHBondContact O-CG1 3.46Å; Y204-I208 PolarHBondContact O-N 2.85Å; Y204-I208 VanDerWaalsContact O-N 3.09Å; F206-I208 PolarHBondContact O-N 3.13Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.09Å; I208-S211 WeakPolarHBondContact O-CB 3.39Å; I208-S211 PolarHBondContact O-N 2.88Å; I208-F212 HydrophobicContact CG2-CD2 3.91Å; I208-F212 HydrophobicContact CG2-CE2 3.53Å; I208-F212 WeakPolarHBondContact O-CD2 3.3Å; I208-F212 PolarHBondContact O-N 3.5Å; I208-F212 VanDerWaalsContact O-N 3.11Å
209	S	98.7	Very high	98.4	Very high	7 Å²	7	28.7 Å²	28.7	5%	0.049	15%	0.148	C	C	.	.	H	α-helix	trans	-68.1	-33	178.1	57.7	0	0	0	0	112.9	F100 V101 S205 F206 F212 L213	F100-S209 WeakPolarHBondContact CD1-OG 3.32Å; V101-S209 VanDerWaalsContact CG2-C 3.46Å; V101-S209 WeakPolarHBondContact CG2-OG 3.41Å; S205-S209 VanDerWaalsContact O-CB 3.26Å; S205-S209 WeakPolarHBondContact O-CB 3.27Å; S205-S209 PolarHBondContact O-N 3.34Å; S205-S209 PolarHBondContact O-OG 3.48Å; F206-S209 PolarHBondContact O-N 3.47Å; F206-S209 PolarHBondContact O-OG 2.97Å; S209-F212 PolarHBondContact O-N 3.31Å; S209-L213 WeakPolarHBondContact O-CB 3.45Å; S209-L213 PolarHBondContact O-N 2.82Å
210	L	98.7	Very high	98.4	Very high	20 Å²	20	29.2 Å²	29.2	11%	0.105	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-41.7	173.5	-178.2	65.5	0	0	0	110.6	I67 V101 F206 I207 I208 F212 L213 T214 I259	I67-L210 HydrophobicContact CD1-CD1 4.16Å; I67-L210 HydrophobicContact CG1-CD1 4.03Å; V101-L210 HydrophobicContact CG1-CB 4.4Å; V101-L210 HydrophobicContact CG1-CD1 3.98Å; V101-L210 HydrophobicContact CG2-CB 4.43Å; F206-L210 HydrophobicContact CE1-CD2 4.47Å; F206-L210 HydrophobicContact CE2-CB 4.3Å; F206-L210 HydrophobicContact CE2-CD2 3.95Å; F206-L210 HydrophobicContact CZ-CD2 3.74Å; F206-L210 WeakPolarHBondContact O-CB 3.49Å; F206-L210 PolarHBondContact O-N 2.82Å; I207-L210 PolarHBondContact O-N 2.66Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.09Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.38Å; L210-L213 PolarHBondContact O-N 3.33Å; L210-T214 WeakPolarHBondContact O-CB 3.44Å; L210-T214 PolarHBondContact O-N 3.04Å; L210-T214 PolarHBondContact O-OG1 2.92Å; L210-T214 VanDerWaalsContact O-OG1 3.05Å; L210-I259 HydrophobicContact CB-CG2 4.35Å; L210-I259 HydrophobicContact CD2-CD1 3.84Å; L210-I259 HydrophobicContact CD2-CG1 4.23Å; L210-I259 HydrophobicContact CD2-CG2 4.11Å; L210-I259 HydrophobicContact CG-CD1 4.04Å; L210-I259 HydrophobicContact CG-CG2 4.04Å
211	S	98.6	Very high	98.4	Very high	10 Å²	10	28.7 Å²	28.7	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-53.7	-50	170.9	-66.8	0	0	0	0	111.3	I207 I208 T214 S215 I259 S263	I207-S211 PolarHBondContact O-N 3.16Å; I207-S211 PolarHBondContact O-OG 3.06Å; I207-S211 VanDerWaalsContact O-OG 3.09Å; I208-S211 WeakPolarHBondContact O-CB 3.39Å; I208-S211 PolarHBondContact O-N 2.88Å; S211-T214 PolarHBondContact O-N 2.85Å; S211-S215 WeakPolarHBondContact O-CB 3.22Å; S211-S215 PolarHBondContact O-N 3.27Å; S211-S215 PolarHBondContact O-OG 3.01Å; S211-S215 VanDerWaalsContact O-OG 3.09Å; S211-I259 WeakPolarHBondContact OG-CG2 3.37Å; S211-I259 PolarHBondContact OG-O 2.79Å; S211-S263 WeakPolarHBondContact OG-CB 3.34Å; S211-S263 PolarHBondContact OG-OG 2.98Å
212	F	98.6	Very high	98.3	Very high	131 Å²	131	29.9 Å²	29.9	58%	0.575	16%	0.158	S	C	*	.	H	α-helix	trans	-62.9	-45.7	179	-74.2	-63.2	0	0	0	112.7	L97 I208 S209 L210 S215 F216	L97-F212 HydrophobicContact CD2-CB 4.28Å; I208-F212 HydrophobicContact CG2-CD2 3.91Å; I208-F212 HydrophobicContact CG2-CE2 3.53Å; I208-F212 WeakPolarHBondContact O-CD2 3.3Å; I208-F212 PolarHBondContact O-N 3.5Å; I208-F212 VanDerWaalsContact O-N 3.11Å; S209-F212 PolarHBondContact O-N 3.31Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.38Å; F212-S215 PolarHBondContact O-N 2.75Å; F212-F216 WeakPolarHBondContact O-CB 3.4Å; F212-F216 PolarHBondContact O-N 2.94Å
213	L	98.7	Very high	98.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-47.8	178.4	179.3	63	0	0	0	111.5	L97 F98 V101 S209 L210 F216 I217	L97-L213 HydrophobicContact CB-CB 4.28Å; L97-L213 HydrophobicContact CB-CD1 3.82Å; F98-L213 HydrophobicContact CB-CD2 4.47Å; V101-L213 HydrophobicContact CB-CD2 4.21Å; V101-L213 HydrophobicContact CG1-CD2 4.38Å; V101-L213 HydrophobicContact CG2-CB 4.13Å; V101-L213 HydrophobicContact CG2-CD2 3.93Å; S209-L213 WeakPolarHBondContact O-CB 3.45Å; S209-L213 PolarHBondContact O-N 2.82Å; L210-L213 PolarHBondContact O-N 3.33Å; L213-F216 PolarHBondContact O-N 2.9Å; L213-I217 HydrophobicContact CD1-CD1 3.85Å; L213-I217 HydrophobicContact CD1-CG1 4.19Å; L213-I217 HydrophobicContact CG-CD1 4.04Å; L213-I217 WeakPolarHBondContact O-CG1 3.41Å; L213-I217 PolarHBondContact O-N 3.2Å
214	T	98.3	Very high	98.1	Very high	15 Å²	15	30.6 Å²	30.6	9%	0.092	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-44.8	179.7	-59.7	0	0	0	0	111.4	L210 S211 F216 F218 C252 I256	L210-T214 WeakPolarHBondContact O-CB 3.44Å; L210-T214 PolarHBondContact O-N 3.04Å; L210-T214 PolarHBondContact O-OG1 2.92Å; L210-T214 VanDerWaalsContact O-OG1 3.05Å; S211-T214 PolarHBondContact O-N 2.85Å; T214-F216 VanDerWaalsContact C-N 3.33Å; T214-F216 PolarHBondContact O-N 3.38Å; T214-F218 WeakPolarHBondContact O-CB 3.29Å; T214-F218 PolarHBondContact O-N 2.76Å; T214-C252 HydrophobicContact CG2-CB 4.26Å; T214-I256 HydrophobicContact CG2-CB 4.21Å; T214-I256 HydrophobicContact CG2-CG1 4.46Å
215	S	98.4	Very high	97.9	Very high	40 Å²	40	29.6 Å²	29.6	28%	0.28	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-38.5	175.5	-65.1	0	0	0	0	112.4	S211 F212 A219	S211-S215 WeakPolarHBondContact O-CB 3.22Å; S211-S215 PolarHBondContact O-N 3.27Å; S211-S215 PolarHBondContact O-OG 3.01Å; S211-S215 VanDerWaalsContact O-OG 3.09Å; F212-S215 PolarHBondContact O-N 2.75Å; S215-A219 WeakPolarHBondContact O-CB 3.45Å; S215-A219 PolarHBondContact O-N 2.78Å
216	F	98.5	Very high	97.8	Very high	45 Å²	45	31.3 Å²	31.3	20%	0.197	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-50.6	177.3	177.5	-101.6	0	0	0	111.9	F74 I90 I93 L97 F212 L213 T214 F218 A219 C220	F74-F216 HydrophobicContact CE1-CE1 4.01Å; F74-F216 AromaticContact CZ-CE1 3.94Å; F74-F216 HydrophobicContact CZ-CE1 3.94Å; I90-F216 HydrophobicContact CG2-CE1 4.47Å; I90-F216 HydrophobicContact CG2-CZ 4.07Å; I93-F216 HydrophobicContact CB-CE2 4.41Å; I93-F216 HydrophobicContact CB-CZ 4.11Å; I93-F216 HydrophobicContact CG2-CD2 4.33Å; I93-F216 HydrophobicContact CG2-CE1 4.46Å; I93-F216 HydrophobicContact CG2-CE2 3.91Å; I93-F216 HydrophobicContact CG2-CZ 3.97Å; L97-F216 HydrophobicContact CD1-CB 4.28Å; L97-F216 HydrophobicContact CD1-CD1 4.46Å; L97-F216 HydrophobicContact CD1-CG 4.31Å; F212-F216 WeakPolarHBondContact O-CB 3.4Å; F212-F216 PolarHBondContact O-N 2.94Å; L213-F216 PolarHBondContact O-N 2.9Å; T214-F216 VanDerWaalsContact C-N 3.33Å; T214-F216 PolarHBondContact O-N 3.38Å; F216-F218 PolarHBondContact O-N 3.32Å; F216-A219 PolarHBondContact O-N 2.91Å; F216-C220 WeakPolarHBondContact O-CB 3.19Å; F216-C220 PolarHBondContact O-N 3.08Å; F216-C220 PolarHBondContact O-SG 3.28Å
217	I	98.4	Very high	97.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-46.6	176.6	-68.4	174.8	0	0	0	110	T70 F74 L213 A219 C220 V221	T70-I217 HydrophobicContact CG2-CD1 4.42Å; T70-I217 HydrophobicContact CG2-CG2 4.35Å; F74-I217 HydrophobicContact CB-CD1 4.39Å; F74-I217 HydrophobicContact CB-CG1 4.48Å; F74-I217 HydrophobicContact CB-CG2 4.31Å; F74-I217 HydrophobicContact CD1-CD1 4.39Å; F74-I217 HydrophobicContact CD1-CG1 4.02Å; F74-I217 HydrophobicContact CD2-CG1 4.37Å; F74-I217 HydrophobicContact CD2-CG2 4.1Å; F74-I217 HydrophobicContact CE1-CG1 4.35Å; F74-I217 HydrophobicContact CG-CD1 4.4Å; F74-I217 HydrophobicContact CG-CG1 4.01Å; F74-I217 HydrophobicContact CG-CG2 4.24Å; L213-I217 HydrophobicContact CD1-CD1 3.85Å; L213-I217 HydrophobicContact CD1-CG1 4.19Å; L213-I217 HydrophobicContact CG-CD1 4.04Å; L213-I217 WeakPolarHBondContact O-CG1 3.41Å; L213-I217 PolarHBondContact O-N 3.2Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 3.02Å; I217-C220 PolarHBondContact O-N 3.08Å; I217-C220 VanDerWaalsContact O-N 3.16Å; I217-V221 HydrophobicContact CG2-CG2 4.01Å; I217-V221 WeakPolarHBondContact O-CB 3.41Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.17Å; I217-V221 PolarHBondContact O-N 2.95Å
218	F	98.2	Very high	97.2	Very high	51 Å²	51	36.8 Å²	36.8	22%	0.224	20%	0.197	C	C	.	.	H	α-helix	trans	-56.2	-46.9	178.7	-175.2	-105.3	0	0	0	112.4	T214 F216 V221 I222 L249 C252 F253 I256	T214-F218 WeakPolarHBondContact O-CB 3.29Å; T214-F218 PolarHBondContact O-N 2.76Å; F216-F218 PolarHBondContact O-N 3.32Å; F218-V221 PolarHBondContact O-N 3.2Å; F218-I222 HydrophobicContact CE1-CG1 4.3Å; F218-I222 HydrophobicContact CZ-CD1 4.49Å; F218-I222 HydrophobicContact CZ-CG1 4.34Å; F218-I222 VanDerWaalsContact O-CG1 3.29Å; F218-I222 WeakPolarHBondContact O-CG1 3.34Å; F218-I222 PolarHBondContact O-N 3.13Å; F218-L249 HydrophobicContact CD2-CD1 3.77Å; F218-L249 HydrophobicContact CE2-CD1 3.38Å; F218-L249 HydrophobicContact CE2-CG 4.41Å; F218-L249 HydrophobicContact CZ-CD1 4.16Å; F218-C252 HydrophobicContact CB-CB 4Å; F218-C252 HydrophobicContact CD2-CB 3.63Å; F218-C252 HydrophobicContact CG-CB 4.26Å; F218-F253 HydrophobicContact CE2-CB 4.25Å; F218-I256 HydrophobicContact CD1-CD1 4.32Å; F218-I256 HydrophobicContact CG-CD1 4.47Å
219	A	98.2	Very high	96.9	Very high	51 Å²	51	35.9 Å²	35.9	42%	0.421	19%	0.194	S	C	.	.	H	α-helix	trans	-64.5	-41	177.3	0	0	0	0	0	112.4	S215 F216 I217 T223	S215-A219 WeakPolarHBondContact O-CB 3.45Å; S215-A219 PolarHBondContact O-N 2.78Å; F216-A219 PolarHBondContact O-N 2.91Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 3.02Å; A219-T223 WeakPolarHBondContact O-CB 3.42Å; A219-T223 PolarHBondContact O-N 3.08Å; A219-T223 PolarHBondContact O-OG1 3.26Å
220	C	98.1	Very high	96.5	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.081	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-43.7	178.2	-68.9	0	0	0	0	112.1	F74 L82 F216 I217 T223 H224	F74-C220 HydrophobicContact CE2-CB 3.47Å; F74-C220 VanDerWaalsContact CE2-CB 3.47Å; F74-C220 HydrophobicContact CZ-CB 3.91Å; L82-C220 HydrophobicContact CD1-CB 3.73Å; F216-C220 WeakPolarHBondContact O-CB 3.19Å; F216-C220 PolarHBondContact O-N 3.08Å; F216-C220 PolarHBondContact O-SG 3.28Å; I217-C220 PolarHBondContact O-N 3.08Å; I217-C220 VanDerWaalsContact O-N 3.16Å; C220-T223 CarbonylContact O-C 3.55Å; C220-T223 WeakPolarHBondContact O-CB 3.36Å; C220-T223 PolarHBondContact O-N 3.36Å; C220-T223 VanDerWaalsContact O-N 3.16Å; C220-H224 PolarHBondContact O-N 3.33Å
221	V	97.3	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-45.1	177.6	167.3	0	0	0	0	111.1	I217 F218 T223 H224 I225 S245 E248 L249	I217-V221 HydrophobicContact CG2-CG2 4.01Å; I217-V221 WeakPolarHBondContact O-CB 3.41Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.17Å; I217-V221 PolarHBondContact O-N 2.95Å; F218-V221 PolarHBondContact O-N 3.2Å; V221-T223 VanDerWaalsContact C-N 3.26Å; V221-T223 PolarHBondContact O-N 3.3Å; V221-H224 PolarHBondContact O-N 3.49Å; V221-I225 HydrophobicContact CG1-CD1 4.06Å; V221-I225 WeakPolarHBondContact O-CG1 3.41Å; V221-I225 PolarHBondContact O-N 2.9Å; V221-S245 WeakPolarHBondContact CG1-O 3.46Å; V221-E248 HydrophobicContact CG2-CB 4.14Å; V221-L249 HydrophobicContact CG1-CB 3.91Å; V221-L249 HydrophobicContact CG1-CD1 4.22Å
222	I	96.7	Very high	94.8	Very high	71 Å²	71	48.6 Å²	48.6	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-57.7	-43	173.1	-71.7	-72.7	0	0	0	110.6	F218 T226 L249	F218-I222 HydrophobicContact CE1-CG1 4.3Å; F218-I222 HydrophobicContact CZ-CD1 4.49Å; F218-I222 HydrophobicContact CZ-CG1 4.34Å; F218-I222 VanDerWaalsContact O-CG1 3.29Å; F218-I222 WeakPolarHBondContact O-CG1 3.34Å; F218-I222 PolarHBondContact O-N 3.13Å; I222-T226 VanDerWaalsContact O-CB 3.29Å; I222-T226 WeakPolarHBondContact O-CB 3.39Å; I222-T226 PolarHBondContact O-N 2.86Å; I222-T226 PolarHBondContact O-OG1 3.47Å; I222-L249 HydrophobicContact CD1-CD1 3.54Å; I222-L249 HydrophobicContact CD1-CD2 4.46Å; I222-L249 HydrophobicContact CG1-CD1 3.89Å
223	T	96.8	Very high	93.6	Very high	52 Å²	52	52.3 Å²	52.3	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-45.2	179.5	-56.8	0	0	0	0	111.2	L82 L86 A219 C220 V221 T226 L227	L82-T223 HydrophobicContact CD2-CG2 4.34Å; L86-T223 HydrophobicContact CD1-CG2 3.76Å; A219-T223 WeakPolarHBondContact O-CB 3.42Å; A219-T223 PolarHBondContact O-N 3.08Å; A219-T223 PolarHBondContact O-OG1 3.26Å; C220-T223 CarbonylContact O-C 3.55Å; C220-T223 WeakPolarHBondContact O-CB 3.36Å; C220-T223 PolarHBondContact O-N 3.36Å; C220-T223 VanDerWaalsContact O-N 3.16Å; V221-T223 VanDerWaalsContact C-N 3.26Å; V221-T223 PolarHBondContact O-N 3.3Å; T223-T226 PolarHBondContact O-N 3.3Å; T223-L227 HydrophobicContact CG2-CD1 3.95Å; T223-L227 HydrophobicContact CG2-CG 4.34Å; T223-L227 WeakPolarHBondContact O-CB 3.5Å; T223-L227 VanDerWaalsContact O-CG 3.32Å; T223-L227 WeakPolarHBondContact O-CG 3.46Å; T223-L227 PolarHBondContact O-N 3.4Å
224	H	95.4	Very high	93.1	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-52.1	176.4	177.8	-157.7	0	0	0	111.4	D78 F81 L82 C220 V221 T226 L227 R228 S245	D78-H224 IonicContact OD1-CE1 3.98Å; D78-H224 IonicContact OD1-CG 3.87Å; D78-H224 IonicContact OD1-ND1 3.87Å; D78-H224 PolarHBondContact OD1-ND1 3.36Å; F81-H224 HydrophobicContact CD1-CB 4.47Å; F81-H224 AromaticContact CD1-CD2 3.09Å; F81-H224 WeakPolarHBondContact CD1-CD2 3.32Å; F81-H224 AromaticContact CD1-CG 3.93Å; F81-H224 AromaticContact CD1-NE2 3.71Å; F81-H224 AromaticContact CD2-NE2 3.96Å; F81-H224 AromaticContact CE1-CD2 3.52Å; F81-H224 AromaticContact CG-CD2 3.43Å; F81-H224 VanDerWaalsContact CG-CD2 3.43Å; F81-H224 WeakPolarHBondContact CG-CD2 3.43Å; F81-H224 AromaticContact CG-NE2 3.49Å; F81-H224 WeakPolarHBondContact CG-NE2 3.43Å; L82-H224 HydrophobicContact CD2-CB 4.07Å; L82-H224 HydrophobicContact CG-CB 4.34Å; C220-H224 PolarHBondContact O-N 3.33Å; V221-H224 PolarHBondContact O-N 3.49Å; H224-T226 VanDerWaalsContact C-N 3.31Å; H224-T226 PolarHBondContact O-N 2.92Å; H224-L227 PolarHBondContact O-N 2.6Å; H224-R228 PolarHBondContact NE2-NE 3.12Å; H224-R228 WeakPolarHBondContact O-CB 3.43Å; H224-R228 WeakPolarHBondContact O-CG 3.36Å; H224-R228 PolarHBondContact O-N 3.27Å; H224-S245 PolarHBondContact ND1-OG 3.11Å
225	I	94.9	Very high	92.6	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.072	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-41.1	179.6	-66.4	172.3	0	0	0	110.9	V221 R228 S229 I235 L249	V221-I225 HydrophobicContact CG1-CD1 4.06Å; V221-I225 WeakPolarHBondContact O-CG1 3.41Å; V221-I225 PolarHBondContact O-N 2.9Å; I225-R228 PolarHBondContact O-N 3.34Å; I225-S229 VanDerWaalsContact O-CB 3.32Å; I225-S229 WeakPolarHBondContact O-CB 3.44Å; I225-S229 PolarHBondContact O-N 2.81Å; I225-I235 HydrophobicContact CG2-CG1 4.5Å; I225-L249 HydrophobicContact CD1-CD2 4.26Å
226	T	94.4	Very high	92.1	Very high	72 Å²	72	60.5 Å²	60.5	44%	0.442	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-48.7	179.5	-59.2	0	0	0	0	111.1	I222 T223 H224 R228 S229 Q230	I222-T226 VanDerWaalsContact O-CB 3.29Å; I222-T226 WeakPolarHBondContact O-CB 3.39Å; I222-T226 PolarHBondContact O-N 2.86Å; I222-T226 PolarHBondContact O-OG1 3.47Å; T223-T226 PolarHBondContact O-N 3.3Å; H224-T226 VanDerWaalsContact C-N 3.31Å; H224-T226 PolarHBondContact O-N 2.92Å; T226-R228 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 2.93Å; T226-S229 WeakPolarHBondContact O-CB 3.43Å; T226-S229 PolarHBondContact O-N 2.87Å; T226-Q230 WeakPolarHBondContact O-CG 3.32Å; T226-Q230 PolarHBondContact O-N 3.09Å
227	L	93.8	Very high	91.7	Very high	61 Å²	61	62.5 Å²	62.5	32%	0.319	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-42.1	178.4	-70.7	174.7	0	0	0	111.7	F81 H85 L86 T223 H224 Q230 A231	F81-L227 HydrophobicContact CE1-CB 3.81Å; F81-L227 HydrophobicContact CE1-CD1 4.05Å; F81-L227 HydrophobicContact CZ-CB 3.98Å; H85-L227 HydrophobicContact CB-CD1 4.4Å; L86-L227 HydrophobicContact CD1-CD1 4.37Å; L86-L227 HydrophobicContact CD2-CD1 4.33Å; L86-L227 HydrophobicContact CG-CD1 4.32Å; T223-L227 HydrophobicContact CG2-CD1 3.95Å; T223-L227 HydrophobicContact CG2-CG 4.34Å; T223-L227 WeakPolarHBondContact O-CB 3.5Å; T223-L227 VanDerWaalsContact O-CG 3.32Å; T223-L227 WeakPolarHBondContact O-CG 3.46Å; T223-L227 PolarHBondContact O-N 3.4Å; H224-L227 PolarHBondContact O-N 2.6Å; L227-Q230 PolarHBondContact O-N 3.49Å; L227-A231 PolarHBondContact O-N 3.08Å
228	R	91.9	Very high	91.2	Very high	69 Å²	69	62.3 Å²	62.3	26%	0.26	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-43.9	173.8	-76.5	-75	-164.1	170.5	0.3	112.3	F81 H224 I225 T226 Q230 A231 K232 A238	F81-R228 HydrophobicContact CE1-CG 4.48Å; F81-R228 HydrophobicContact CE2-CG 4.09Å; F81-R228 HydrophobicContact CZ-CG 3.99Å; H224-R228 PolarHBondContact NE2-NE 3.12Å; H224-R228 WeakPolarHBondContact O-CB 3.43Å; H224-R228 WeakPolarHBondContact O-CG 3.36Å; H224-R228 PolarHBondContact O-N 3.27Å; I225-R228 PolarHBondContact O-N 3.34Å; T226-R228 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 2.93Å; R228-Q230 VanDerWaalsContact C-N 3.31Å; R228-Q230 PolarHBondContact O-N 3.18Å; R228-A231 PolarHBondContact O-N 2.95Å; R228-K232 PolarHBondContact O-N 2.91Å; R228-A238 HydrophobicContact CB-CB 3.74Å
229	S	92.1	Very high	90.8	Very high	21 Å²	21	62.6 Å²	62.6	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-39.5	179	179.7	0	0	0	0	111.9	I225 T226 K233 G234 I235	I225-S229 VanDerWaalsContact O-CB 3.32Å; I225-S229 WeakPolarHBondContact O-CB 3.44Å; I225-S229 PolarHBondContact O-N 2.81Å; T226-S229 WeakPolarHBondContact O-CB 3.43Å; T226-S229 PolarHBondContact O-N 2.87Å; S229-K233 PolarHBondContact O-N 3.38Å; S229-G234 PolarHBondContact O-N 3.31Å; S229-I235 WeakPolarHBondContact OG-CA 3.45Å; S229-I235 PolarHBondContact OG-N 2.96Å; S229-I235 VanDerWaalsContact OG-N 3.17Å
230	Q	89.8	Confident	90.4	Very high	148 Å²	148	67 Å²	67	69%	0.692	36%	0.355	S	S	*	.	H	α-helix	trans	-68.5	-41.7	176.4	-64.4	-60.6	-31.5	0	0	111.6	T226 L227 R228 K232	T226-Q230 WeakPolarHBondContact O-CG 3.32Å; T226-Q230 PolarHBondContact O-N 3.09Å; L227-Q230 PolarHBondContact O-N 3.49Å; R228-Q230 VanDerWaalsContact C-N 3.31Å; R228-Q230 PolarHBondContact O-N 3.18Å; Q230-K232 PolarHBondContact O-N 2.67Å
231	A	86.3	Confident	89.9	Confident	81 Å²	81	70.2 Å²	70.2	67%	0.669	37%	0.368	S	S	*	.	H	α-helix	trans	-67	-35.4	179.6	0	0	0	0	0	113.3	L227 R228	L227-A231 PolarHBondContact O-N 3.08Å; R228-A231 PolarHBondContact O-N 2.95Å
232	K	77.1	Confident	89.7	Confident	75 Å²	75	70.6 Å²	70.6	33%	0.326	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	16.3	-172.9	-66.4	-164.8	165.2	-170.8	0	115	R228 Q230 G234 Q237 E241	R228-K232 PolarHBondContact O-N 2.91Å; Q230-K232 PolarHBondContact O-N 2.67Å; K232-G234 VanDerWaalsContact C-N 3.31Å; K232-G234 PolarHBondContact O-N 3.2Å; K232-Q237 PolarHBondContact O-OE1 3.31Å; K232-E241 WeakPolarHBondContact CD-OE1 3.2Å; K232-E241 WeakPolarHBondContact CD-OE2 3.4Å; K232-E241 VanDerWaalsContact CE-OE2 3.29Å; K232-E241 WeakPolarHBondContact CE-OE2 3.31Å; K232-E241 IonicContact NZ-OE1 2.72Å; K232-E241 PolarHBondContact NZ-OE1 3.14Å; K232-E241 IonicContact NZ-OE2 2.59Å; K232-E241 PolarHBondContact NZ-OE2 3.03Å
233	K	73.3	Confident	89.6	Confident	209 Å²	209	71.3 Å²	71.3	91%	0.909	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	37	176.5	-58.1	-176	177.8	-180	0	114.2	S229	S229-K233 PolarHBondContact O-N 3.38Å
234	G	87.8	Confident	89.5	Confident	25 Å²	25	69.5 Å²	69.5	26%	0.258	37%	0.37	S	S	.	.			trans	164.6	143.7	171.9	0	0	0	0	0	116.1	S229 K232 A238	S229-G234 PolarHBondContact O-N 3.31Å; K232-G234 VanDerWaalsContact C-N 3.31Å; K232-G234 PolarHBondContact O-N 3.2Å; G234-A238 PolarHBondContact O-N 2.82Å
235	I	87.6	Confident	89.5	Confident	109 Å²	109	69.4 Å²	69.4	56%	0.559	37%	0.37	S	S	*	.	H	α-helix	trans	-69.2	-33.8	-179	-163.9	166.4	0	0	0	112.6	I225 S229 Q237 A238 V239	I225-I235 HydrophobicContact CG2-CG1 4.5Å; S229-I235 WeakPolarHBondContact OG-CA 3.45Å; S229-I235 PolarHBondContact OG-N 2.96Å; S229-I235 VanDerWaalsContact OG-N 3.17Å; I235-Q237 VanDerWaalsContact C-N 3.34Å; I235-Q237 PolarHBondContact O-N 3.11Å; I235-A238 PolarHBondContact O-N 3.02Å; I235-V239 HydrophobicContact CG1-CG2 4.33Å; I235-V239 WeakPolarHBondContact O-CB 3.31Å; I235-V239 VanDerWaalsContact O-CG2 3.27Å; I235-V239 WeakPolarHBondContact O-CG2 3.08Å; I235-V239 PolarHBondContact O-N 3.43Å
236	V	88.1	Confident	89.5	Confident	97 Å²	97	70.8 Å²	70.8	59%	0.588	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-45.8	-179.5	177.3	0	0	0	0	110.4	V239 Q240	V236-V239 PolarHBondContact O-N 3.36Å; V236-Q240 WeakPolarHBondContact O-CG 3.47Å; V236-Q240 PolarHBondContact O-N 3.39Å
237	Q	88.8	Confident	89.6	Confident	88 Å²	88	71 Å²	71	41%	0.411	38%	0.38	S	S	.	.	H	α-helix	trans	-68.6	-40.2	179.3	-171.8	170.9	-1.8	0	0	111.6	K232 I235 V239 Q240 E241	K232-Q237 PolarHBondContact O-OE1 3.31Å; I235-Q237 VanDerWaalsContact C-N 3.34Å; I235-Q237 PolarHBondContact O-N 3.11Å; Q237-V239 VanDerWaalsContact C-N 3.31Å; Q237-V239 PolarHBondContact O-N 3.23Å; Q237-Q240 PolarHBondContact O-N 2.83Å; Q237-E241 PolarHBondContact NE2-OE1 3Å; Q237-E241 WeakPolarHBondContact O-CG 3.14Å; Q237-E241 PolarHBondContact O-N 3.14Å; Q237-E241 VanDerWaalsContact O-N 3.11Å
238	A	88.4	Confident	89.8	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-41.6	176.2	0	0	0	0	0	112.6	R228 G234 I235 S242	R228-A238 HydrophobicContact CB-CB 3.74Å; G234-A238 PolarHBondContact O-N 2.82Å; I235-A238 PolarHBondContact O-N 3.02Å; A238-S242 WeakPolarHBondContact O-CB 3.37Å; A238-S242 PolarHBondContact O-N 3.05Å; A238-S242 PolarHBondContact O-OG 3.43Å; A238-S242 VanDerWaalsContact O-OG 3.09Å
239	V	89.9	Confident	89.9	Confident	57 Å²	57	66.9 Å²	66.9	35%	0.345	36%	0.364	S	S	.	.	H	α-helix	trans	-66.9	-43.9	177.2	164.5	0	0	0	0	111.6	I235 V236 Q237 E241 S242 V246	I235-V239 HydrophobicContact CG1-CG2 4.33Å; I235-V239 WeakPolarHBondContact O-CB 3.31Å; I235-V239 VanDerWaalsContact O-CG2 3.27Å; I235-V239 WeakPolarHBondContact O-CG2 3.08Å; I235-V239 PolarHBondContact O-N 3.43Å; V236-V239 PolarHBondContact O-N 3.36Å; Q237-V239 VanDerWaalsContact C-N 3.31Å; Q237-V239 PolarHBondContact O-N 3.23Å; V239-E241 VanDerWaalsContact C-N 3.28Å; V239-E241 PolarHBondContact O-N 3.1Å; V239-S242 CarbonylContact O-C 3.52Å; V239-S242 PolarHBondContact O-N 3.3Å; V239-V246 HydrophobicContact CB-CG2 4.3Å; V239-V246 HydrophobicContact CG1-CG2 3.72Å; V239-V246 HydrophobicContact CG2-CG2 4.37Å
240	Q	89.6	Confident	90.2	Very high	144 Å²	144	69.4 Å²	69.4	67%	0.673	38%	0.378	S	S	*	.	H	α-helix	trans	-63.3	-34.3	179.1	-76.6	177.1	-25.5	0	0	112.9	V236 Q237	V236-Q240 WeakPolarHBondContact O-CG 3.47Å; V236-Q240 PolarHBondContact O-N 3.39Å; Q237-Q240 PolarHBondContact O-N 2.83Å
241	E	88.6	Confident	90.5	Very high	78 Å²	78	64.4 Å²	64.4	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-85	-15.5	179.9	-67.1	179.1	179.7	0	0	113.7	K232 Q237 V239 P243	K232-E241 WeakPolarHBondContact CD-OE1 3.2Å; K232-E241 WeakPolarHBondContact CD-OE2 3.4Å; K232-E241 VanDerWaalsContact CE-OE2 3.29Å; K232-E241 WeakPolarHBondContact CE-OE2 3.31Å; K232-E241 IonicContact NZ-OE1 2.72Å; K232-E241 PolarHBondContact NZ-OE1 3.14Å; K232-E241 IonicContact NZ-OE2 2.59Å; K232-E241 PolarHBondContact NZ-OE2 3.03Å; Q237-E241 PolarHBondContact NE2-OE1 3Å; Q237-E241 WeakPolarHBondContact O-CG 3.14Å; Q237-E241 PolarHBondContact O-N 3.14Å; Q237-E241 VanDerWaalsContact O-N 3.11Å; V239-E241 VanDerWaalsContact C-N 3.28Å; V239-E241 PolarHBondContact O-N 3.1Å; E241-P243 WeakPolarHBondContact O-CD 3.25Å
242	S	93.1	Very high	91	Very high	9 Å²	9	60.7 Å²	60.7	6%	0.063	32%	0.324	C	S	.	.			trans	-124.8	56.7	-176.6	-44.2	0	0	0	0	112	A238 V239 A244 S245 V246	A238-S242 WeakPolarHBondContact O-CB 3.37Å; A238-S242 PolarHBondContact O-N 3.05Å; A238-S242 PolarHBondContact O-OG 3.43Å; A238-S242 VanDerWaalsContact O-OG 3.09Å; V239-S242 CarbonylContact O-C 3.52Å; V239-S242 PolarHBondContact O-N 3.3Å; S242-A244 VanDerWaalsContact C-N 3.25Å; S242-A244 PolarHBondContact O-N 2.7Å; S242-S245 PolarHBondContact O-N 3.26Å; S242-V246 WeakPolarHBondContact O-CG2 3.46Å; S242-V246 PolarHBondContact O-N 3.27Å
243	P	94.5	Very high	91.8	Very high	86 Å²	86	61.9 Å²	61.9	56%	0.558	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-29.9	-175.9	25.8	-34.8	0	0	0	113.2	E241 V246 V247	E241-P243 WeakPolarHBondContact O-CD 3.25Å; P243-V246 PolarHBondContact O-N 2.97Å; P243-V247 WeakPolarHBondContact O-CG2 3.32Å; P243-V247 PolarHBondContact O-N 3.1Å; P243-V247 VanDerWaalsContact O-N 3.14Å
244	A	94.8	Very high	92.9	Very high	13 Å²	13	59 Å²	59	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-50.7	175	0	0	0	0	0	111.7	L73 F77 S242 V246 V247 E248	L73-A244 HydrophobicContact CD2-CB 4.31Å; F77-A244 HydrophobicContact CB-CB 3.93Å; F77-A244 HydrophobicContact CD1-CB 4.35Å; F77-A244 HydrophobicContact CD2-CB 3.42Å; F77-A244 VanDerWaalsContact CD2-CB 3.42Å; F77-A244 HydrophobicContact CE2-CB 4Å; F77-A244 HydrophobicContact CG-CB 3.63Å; S242-A244 VanDerWaalsContact C-N 3.25Å; S242-A244 PolarHBondContact O-N 2.7Å; A244-V246 PolarHBondContact O-N 3.41Å; A244-V247 WeakPolarHBondContact O-CA 3.43Å; A244-V247 WeakPolarHBondContact O-CB 3.31Å; A244-V247 PolarHBondContact O-N 2.87Å; A244-E248 VanDerWaalsContact C-OE2 3.25Å; A244-E248 PolarHBondContact O-N 3.41Å
245	S	95.1	Very high	93.2	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-32.7	177.2	-51	0	0	0	0	112.2	D78 V221 H224 S242 E248 L249	D78-S245 VanDerWaalsContact CG-OG 3.3Å; D78-S245 WeakPolarHBondContact OD1-CB 3.29Å; D78-S245 PolarHBondContact OD1-OG 3.16Å; D78-S245 PolarHBondContact OD2-OG 3Å; D78-S245 VanDerWaalsContact OD2-OG 3.12Å; V221-S245 WeakPolarHBondContact CG1-O 3.46Å; H224-S245 PolarHBondContact ND1-OG 3.11Å; S242-S245 PolarHBondContact O-N 3.26Å; S245-E248 WeakPolarHBondContact CA-OE2 3.49Å; S245-E248 PolarHBondContact N-OE2 3.41Å; S245-L249 VanDerWaalsContact O-CB 3.27Å; S245-L249 WeakPolarHBondContact O-CB 3.49Å; S245-L249 PolarHBondContact O-N 2.98Å
246	V	94.9	Very high	93.5	Very high	44 Å²	44	55.2 Å²	55.2	27%	0.267	30%	0.295	S	S	.	.	H	α-helix	trans	-68.3	-44.4	174.4	179.9	0	0	0	0	111.4	V239 S242 P243 A244 E248 L249 V250	V239-V246 HydrophobicContact CB-CG2 4.3Å; V239-V246 HydrophobicContact CG1-CG2 3.72Å; V239-V246 HydrophobicContact CG2-CG2 4.37Å; S242-V246 WeakPolarHBondContact O-CG2 3.46Å; S242-V246 PolarHBondContact O-N 3.27Å; P243-V246 PolarHBondContact O-N 2.97Å; A244-V246 PolarHBondContact O-N 3.41Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.24Å; V246-L249 PolarHBondContact O-N 3.22Å; V246-V250 WeakPolarHBondContact O-CG2 3.18Å; V246-V250 PolarHBondContact O-N 3.49Å
247	V	96.4	Very high	93.8	Very high	75 Å²	75	59.2 Å²	59.2	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-45.1	176.3	171.8	0	0	0	0	110.5	L73 P243 A244 V250 I251	L73-V247 HydrophobicContact CD1-CG1 4.23Å; P243-V247 WeakPolarHBondContact O-CG2 3.32Å; P243-V247 PolarHBondContact O-N 3.1Å; P243-V247 VanDerWaalsContact O-N 3.14Å; A244-V247 WeakPolarHBondContact O-CA 3.43Å; A244-V247 WeakPolarHBondContact O-CB 3.31Å; A244-V247 PolarHBondContact O-N 2.87Å; V247-V250 PolarHBondContact O-N 3.28Å; V247-I251 HydrophobicContact CG1-CD1 3.81Å; V247-I251 VanDerWaalsContact O-CG1 3.31Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.94Å
248	E	96.9	Very high	94.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-41.4	177.5	-67.1	166.5	88.7	0	0	112.3	T70 L73 F74 D78 V221 A244 S245 V246 V250 I251 C252	T70-E248 HydrophobicContact CG2-CG 4.32Å; L73-E248 VanDerWaalsContact CB-CD 3.44Å; L73-E248 HydrophobicContact CB-CG 3.77Å; L73-E248 HydrophobicContact CD1-CG 3.99Å; F74-E248 WeakPolarHBondContact CA-OE1 3.48Å; F74-E248 WeakPolarHBondContact CB-OE1 3.43Å; F74-E248 PolarHBondContact N-OE1 3Å; D78-E248 VanDerWaalsContact OD2-OE2 3.06Å; V221-E248 HydrophobicContact CG2-CB 4.14Å; A244-E248 VanDerWaalsContact C-OE2 3.25Å; A244-E248 PolarHBondContact O-N 3.41Å; S245-E248 WeakPolarHBondContact CA-OE2 3.49Å; S245-E248 PolarHBondContact N-OE2 3.41Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.24Å; E248-V250 VanDerWaalsContact C-N 3.31Å; E248-V250 PolarHBondContact O-N 3.28Å; E248-I251 PolarHBondContact O-N 3.01Å; E248-C252 VanDerWaalsContact O-CB 3.26Å; E248-C252 WeakPolarHBondContact O-CB 3.07Å; E248-C252 PolarHBondContact O-N 3.38Å; E248-C252 PolarHBondContact O-SG 3.18Å
249	L	95.8	Very high	94.4	Very high	45 Å²	45	60.5 Å²	60.5	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-45.1	176.2	-174.5	68.5	0	0	0	111	F218 V221 I222 I225 S245 V246 C252 F253	F218-L249 HydrophobicContact CD2-CD1 3.77Å; F218-L249 HydrophobicContact CE2-CD1 3.38Å; F218-L249 HydrophobicContact CE2-CG 4.41Å; F218-L249 HydrophobicContact CZ-CD1 4.16Å; V221-L249 HydrophobicContact CG1-CB 3.91Å; V221-L249 HydrophobicContact CG1-CD1 4.22Å; I222-L249 HydrophobicContact CD1-CD1 3.54Å; I222-L249 HydrophobicContact CD1-CD2 4.46Å; I222-L249 HydrophobicContact CG1-CD1 3.89Å; I225-L249 HydrophobicContact CD1-CD2 4.26Å; S245-L249 VanDerWaalsContact O-CB 3.27Å; S245-L249 WeakPolarHBondContact O-CB 3.49Å; S245-L249 PolarHBondContact O-N 2.98Å; V246-L249 PolarHBondContact O-N 3.22Å; L249-C252 PolarHBondContact O-N 3.13Å; L249-F253 WeakPolarHBondContact O-CB 3.22Å; L249-F253 PolarHBondContact O-N 2.93Å
250	V	96.5	Very high	94.8	Very high	74 Å²	74	61.4 Å²	61.4	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-49.9	177.2	170.6	0	0	0	0	110.9	V246 V247 E248 C252 F253 F254	V246-V250 WeakPolarHBondContact O-CG2 3.18Å; V246-V250 PolarHBondContact O-N 3.49Å; V247-V250 PolarHBondContact O-N 3.28Å; E248-V250 VanDerWaalsContact C-N 3.31Å; E248-V250 PolarHBondContact O-N 3.28Å; V250-C252 VanDerWaalsContact C-N 3.34Å; V250-C252 PolarHBondContact O-N 3.34Å; V250-F253 PolarHBondContact O-N 2.97Å; V250-F254 HydrophobicContact CG1-CD2 3.94Å; V250-F254 HydrophobicContact CG1-CE2 3.9Å; V250-F254 VanDerWaalsContact O-CD2 3.26Å; V250-F254 WeakPolarHBondContact O-CD2 3.37Å; V250-F254 PolarHBondContact O-N 3.26Å
251	I	96.7	Very high	95.2	Very high	42 Å²	42	56.7 Å²	56.7	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-47.9	178.9	-67.1	166.8	0	0	0	110.4	V247 E248 S255	V247-I251 HydrophobicContact CG1-CD1 3.81Å; V247-I251 VanDerWaalsContact O-CG1 3.31Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.94Å; E248-I251 PolarHBondContact O-N 3.01Å; I251-S255 VanDerWaalsContact O-CB 3.23Å; I251-S255 WeakPolarHBondContact O-CB 3.35Å; I251-S255 PolarHBondContact O-N 3.39Å; I251-S255 VanDerWaalsContact O-N 3.09Å; I251-S255 PolarHBondContact O-OG 3.31Å
252	C	96.6	Very high	95.6	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.02	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-41.9	-179.4	-69.6	0	0	0	0	111.8	T214 F218 E248 L249 V250 F254 S255 I256	T214-C252 HydrophobicContact CG2-CB 4.26Å; F218-C252 HydrophobicContact CB-CB 4Å; F218-C252 HydrophobicContact CD2-CB 3.63Å; F218-C252 HydrophobicContact CG-CB 4.26Å; E248-C252 VanDerWaalsContact O-CB 3.26Å; E248-C252 WeakPolarHBondContact O-CB 3.07Å; E248-C252 PolarHBondContact O-N 3.38Å; E248-C252 PolarHBondContact O-SG 3.18Å; L249-C252 PolarHBondContact O-N 3.13Å; V250-C252 VanDerWaalsContact C-N 3.34Å; V250-C252 PolarHBondContact O-N 3.34Å; C252-F254 PolarHBondContact O-N 3.44Å; C252-S255 PolarHBondContact O-N 3.01Å; C252-I256 VanDerWaalsContact O-CB 3.24Å; C252-I256 WeakPolarHBondContact O-CB 3.4Å; C252-I256 WeakPolarHBondContact O-CG2 3.23Å; C252-I256 PolarHBondContact O-N 3.37Å
253	F	95.3	Very high	95.8	Very high	101 Å²	101	56.2 Å²	56.2	44%	0.443	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-44.2	-179.6	179.2	-98.9	0	0	0	112.5	F218 L249 V250 W257	F218-F253 HydrophobicContact CE2-CB 4.25Å; L249-F253 WeakPolarHBondContact O-CB 3.22Å; L249-F253 PolarHBondContact O-N 2.93Å; V250-F253 PolarHBondContact O-N 2.97Å; F253-W257 PolarHBondContact O-NE1 2.88Å
254	F	95.3	Very high	96	Very high	147 Å²	147	54.2 Å²	54.2	65%	0.645	30%	0.303	S	S	*	.	H	α-helix	trans	-75	-30	177.6	-72.8	-66.2	0	0	0	112.9	V250 C252	V250-F254 HydrophobicContact CG1-CD2 3.94Å; V250-F254 HydrophobicContact CG1-CE2 3.9Å; V250-F254 VanDerWaalsContact O-CD2 3.26Å; V250-F254 WeakPolarHBondContact O-CD2 3.37Å; V250-F254 PolarHBondContact O-N 3.26Å; C252-F254 PolarHBondContact O-N 3.44Å
255	S	94.6	Very high	96.2	Very high	37 Å²	37	57 Å²	57	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-83.1	-34.8	-175.9	-55.6	0	0	0	0	113.2	I251 C252 W257 S258 I259	I251-S255 VanDerWaalsContact O-CB 3.23Å; I251-S255 WeakPolarHBondContact O-CB 3.35Å; I251-S255 PolarHBondContact O-N 3.39Å; I251-S255 VanDerWaalsContact O-N 3.09Å; I251-S255 PolarHBondContact O-OG 3.31Å; C252-S255 PolarHBondContact O-N 3.01Å; S255-W257 PolarHBondContact O-N 2.85Å; S255-S258 PolarHBondContact O-N 2.75Å; S255-I259 VanDerWaalsContact O-CG1 3.27Å; S255-I259 WeakPolarHBondContact O-CG1 3.45Å; S255-I259 PolarHBondContact O-N 3.3Å
256	I	94.3	Very high	96.3	Very high	19 Å²	19	57 Å²	57	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-43.1	-168.4	-165	167.7	0	0	0	112.7	T214 F218 C252 S258 I259 L260	T214-I256 HydrophobicContact CG2-CB 4.21Å; T214-I256 HydrophobicContact CG2-CG1 4.46Å; F218-I256 HydrophobicContact CD1-CD1 4.32Å; F218-I256 HydrophobicContact CG-CD1 4.47Å; C252-I256 VanDerWaalsContact O-CB 3.24Å; C252-I256 WeakPolarHBondContact O-CB 3.4Å; C252-I256 WeakPolarHBondContact O-CG2 3.23Å; C252-I256 PolarHBondContact O-N 3.37Å; I256-S258 PolarHBondContact O-N 2.87Å; I256-I259 PolarHBondContact O-N 3.48Å; I256-L260 HydrophobicContact CD1-CD1 4.31Å; I256-L260 HydrophobicContact CG1-CD1 3.67Å; I256-L260 HydrophobicContact CG1-CG 4.09Å; I256-L260 VanDerWaalsContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.38Å; I256-L260 PolarHBondContact O-N 2.81Å
257	W	94.2	Very high	96.5	Very high	180 Å²	180	57.6 Å²	57.6	68%	0.682	32%	0.316	S	S	*	.	H	α-helix	trans	-63.8	-43.1	-179.5	-57.1	107.3	0	0	0	112	F253 S255 G261	F253-W257 PolarHBondContact O-NE1 2.88Å; S255-W257 PolarHBondContact O-N 2.85Å; W257-G261 PolarHBondContact O-N 2.99Å
258	S	94.2	Very high	96.5	Very high	86 Å²	86	59.2 Å²	59.2	60%	0.601	32%	0.315	S	S	*	.	H	α-helix	trans	-67	-46.6	178.8	-176.2	0	0	0	0	111.4	S255 I256 G261 L262	S255-S258 PolarHBondContact O-N 2.75Å; I256-S258 PolarHBondContact O-N 2.87Å; S258-G261 PolarHBondContact O-N 3.12Å; S258-L262 WeakPolarHBondContact O-CB 3.32Å; S258-L262 PolarHBondContact O-N 3.07Å
259	I	96.1	Very high	96.5	Very high	29 Å²	29	59.2 Å²	59.2	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-69.8	-42	-176.5	-62.6	165	0	0	0	110.9	L210 S211 S255 I256 L262 S263	L210-I259 HydrophobicContact CB-CG2 4.35Å; L210-I259 HydrophobicContact CD2-CD1 3.84Å; L210-I259 HydrophobicContact CD2-CG1 4.23Å; L210-I259 HydrophobicContact CD2-CG2 4.11Å; L210-I259 HydrophobicContact CG-CD1 4.04Å; L210-I259 HydrophobicContact CG-CG2 4.04Å; S211-I259 WeakPolarHBondContact OG-CG2 3.37Å; S211-I259 PolarHBondContact OG-O 2.79Å; S255-I259 VanDerWaalsContact O-CG1 3.27Å; S255-I259 WeakPolarHBondContact O-CG1 3.45Å; S255-I259 PolarHBondContact O-N 3.3Å; I256-I259 PolarHBondContact O-N 3.48Å; I259-L262 PolarHBondContact O-N 3.5Å; I259-S263 WeakPolarHBondContact O-CB 3.43Å; I259-S263 PolarHBondContact O-N 2.92Å; I259-S263 PolarHBondContact O-OG 2.94Å
260	L	96.9	Very high	96.6	Very high	76 Å²	76	57.1 Å²	57.1	40%	0.398	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-42.4	175.3	-71.4	177.1	0	0	0	112	I256 L262 S263 G264	I256-L260 HydrophobicContact CD1-CD1 4.31Å; I256-L260 HydrophobicContact CG1-CD1 3.67Å; I256-L260 HydrophobicContact CG1-CG 4.09Å; I256-L260 VanDerWaalsContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.38Å; I256-L260 PolarHBondContact O-N 2.81Å; L260-L262 PolarHBondContact O-N 3.5Å; L260-S263 PolarHBondContact O-N 3.39Å; L260-G264 PolarHBondContact O-N 3.45Å
261	G	97.6	Very high	96.6	Very high	46 Å²	46	54.5 Å²	54.5	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-45.1	175.5	0	0	0	0	0	112.2	W257 S258 G264 F265	W257-G261 PolarHBondContact O-N 2.99Å; S258-G261 PolarHBondContact O-N 3.12Å; G261-G264 PolarHBondContact O-N 2.9Å; G261-F265 WeakPolarHBondContact O-CB 3.45Å; G261-F265 PolarHBondContact O-N 3.28Å
262	L	97.3	Very high	96.4	Very high	70 Å²	70	54.1 Å²	54.1	37%	0.366	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-44.6	176.7	-175.9	65.2	0	0	0	112	F203 I207 S258 I259 L260 F265 H266	F203-L262 HydrophobicContact CZ-CD2 4.43Å; I207-L262 HydrophobicContact CD1-CG 4.49Å; I207-L262 HydrophobicContact CG2-CD2 3.93Å; S258-L262 WeakPolarHBondContact O-CB 3.32Å; S258-L262 PolarHBondContact O-N 3.07Å; I259-L262 PolarHBondContact O-N 3.5Å; L260-L262 PolarHBondContact O-N 3.5Å; L262-F265 PolarHBondContact O-N 2.84Å; L262-H266 PolarHBondContact O-CD2 2.97Å; L262-H266 PolarHBondContact O-N 3.45Å
263	S	98.3	Very high	96.4	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-43.2	175.7	-78.9	0	0	0	0	112.5	I207 S211 I259 L260 T267	I207-S263 VanDerWaalsContact C-OG 3.26Å; I207-S263 PolarHBondContact O-OG 3.44Å; S211-S263 WeakPolarHBondContact OG-CB 3.34Å; S211-S263 PolarHBondContact OG-OG 2.98Å; I259-S263 WeakPolarHBondContact O-CB 3.43Å; I259-S263 PolarHBondContact O-N 2.92Å; I259-S263 PolarHBondContact O-OG 2.94Å; L260-S263 PolarHBondContact O-N 3.39Å; S263-T267 WeakPolarHBondContact O-CB 3.42Å; S263-T267 PolarHBondContact O-N 3.47Å; S263-T267 PolarHBondContact O-OG1 3.07Å
264	G	98.3	Very high	96.4	Very high	43 Å²	43	50.4 Å²	50.4	44%	0.443	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-48	174.8	0	0	0	0	0	112.1	L260 G261 H266 T267 Y268	L260-G264 PolarHBondContact O-N 3.45Å; G261-G264 PolarHBondContact O-N 2.9Å; G264-H266 PolarHBondContact O-N 3.17Å; G264-T267 WeakPolarHBondContact O-CB 3.4Å; G264-T267 PolarHBondContact O-N 3.36Å; G264-T267 VanDerWaalsContact O-N 3.16Å; G264-Y268 PolarHBondContact O-N 3.46Å
265	F	98.3	Very high	96.4	Very high	71 Å²	71	43.5 Å²	43.5	31%	0.311	25%	0.246	S	C	.	.	H	α-helix	trans	-58.7	-49.1	178.5	176	-114.8	0	0	0	112.4	G261 L262 T267 Y268 L269 T276	G261-F265 WeakPolarHBondContact O-CB 3.45Å; G261-F265 PolarHBondContact O-N 3.28Å; L262-F265 PolarHBondContact O-N 2.84Å; F265-T267 VanDerWaalsContact C-N 3.28Å; F265-T267 PolarHBondContact O-N 3.48Å; F265-Y268 HydrophobicContact CD2-CD1 4.24Å; F265-Y268 HydrophobicContact CE2-CD1 4.31Å; F265-Y268 HydrophobicContact CE2-CE1 4.47Å; F265-Y268 WeakPolarHBondContact O-CB 3.1Å; F265-Y268 PolarHBondContact O-N 2.99Å; F265-L269 HydrophobicContact CD1-CD1 4.05Å; F265-L269 HydrophobicContact CE1-CD1 3.49Å; F265-L269 VanDerWaalsContact CE1-CD1 3.49Å; F265-L269 HydrophobicContact CE1-CG 4.21Å; F265-L269 HydrophobicContact CE2-CD1 4.34Å; F265-L269 HydrophobicContact CE2-CD2 4.22Å; F265-L269 HydrophobicContact CE2-CG 4.22Å; F265-L269 HydrophobicContact CZ-CD1 3.66Å; F265-L269 HydrophobicContact CZ-CD2 4.08Å; F265-L269 HydrophobicContact CZ-CG 4.02Å; F265-L269 WeakPolarHBondContact O-CG 3.48Å; F265-L269 PolarHBondContact O-N 3.38Å; F265-T276 HydrophobicContact CE1-CG2 3.9Å; F265-T276 HydrophobicContact CZ-CG2 4.2Å
266	H	98.3	Very high	96.6	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-27.5	177.7	-83.3	-78.6	0	0	0	113.2	D185 Y200 F203 Y204 I207 L262 G264 L269 V270 T276	D185-H266 IonicContact OD2-CE1 3.66Å; D185-H266 PolarHBondContact OD2-CE1 2.9Å; Y200-H266 AromaticContact CE2-ND1 3.88Å; Y200-H266 AromaticContact CZ-ND1 3.83Å; Y200-H266 PolarHBondContact OH-ND1 3Å; F203-H266 AromaticContact CE1-CD2 3.74Å; F203-H266 AromaticContact CE1-CE1 3.52Å; F203-H266 AromaticContact CE1-CG 3.94Å; F203-H266 AromaticContact CE1-ND1 3.8Å; F203-H266 AromaticContact CE1-NE2 3.45Å; F203-H266 WeakPolarHBondContact CE1-NE2 3.18Å; F203-H266 AromaticContact CZ-NE2 3.81Å; Y204-H266 HydrophobicContact CD2-CB 4.19Å; Y204-H266 HydrophobicContact CE2-CB 4.43Å; I207-H266 HydrophobicContact CD1-CB 3.57Å; L262-H266 PolarHBondContact O-CD2 2.97Å; L262-H266 PolarHBondContact O-N 3.45Å; G264-H266 PolarHBondContact O-N 3.17Å; H266-L269 PolarHBondContact O-N 3.32Å; H266-V270 WeakPolarHBondContact O-CB 3.34Å; H266-V270 VanDerWaalsContact O-CG2 3.25Å; H266-V270 WeakPolarHBondContact O-CG2 3.22Å; H266-V270 PolarHBondContact O-N 3.36Å; H266-T276 PolarHBondContact CE1-OG1 2.99Å; H266-T276 VanDerWaalsContact CE1-OG1 3.32Å
267	T	98.3	Very high	96.7	Very high	55 Å²	55	42.8 Å²	42.8	34%	0.337	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-41.8	171.6	-61.4	0	0	0	0	110.9	Y204 S263 G264 F265 V270 A271	Y204-T267 PolarHBondContact OH-OG1 3.19Å; S263-T267 WeakPolarHBondContact O-CB 3.42Å; S263-T267 PolarHBondContact O-N 3.47Å; S263-T267 PolarHBondContact O-OG1 3.07Å; G264-T267 WeakPolarHBondContact O-CB 3.4Å; G264-T267 PolarHBondContact O-N 3.36Å; G264-T267 VanDerWaalsContact O-N 3.16Å; F265-T267 VanDerWaalsContact C-N 3.28Å; F265-T267 PolarHBondContact O-N 3.48Å; T267-V270 PolarHBondContact O-N 3.04Å; T267-A271 VanDerWaalsContact O-CB 3.3Å; T267-A271 WeakPolarHBondContact O-CB 3.39Å; T267-A271 PolarHBondContact O-N 3.04Å
268	Y	97.2	Very high	96.7	Very high	109 Å²	109	34.5 Å²	34.5	43%	0.427	21%	0.209	S	C	.	.	H	α-helix	trans	-59.5	-46.4	171.1	153.5	-102.9	0	0	0	112.4	G264 F265 V270 A271 S272 D279	G264-Y268 PolarHBondContact O-N 3.46Å; F265-Y268 HydrophobicContact CD2-CD1 4.24Å; F265-Y268 HydrophobicContact CE2-CD1 4.31Å; F265-Y268 HydrophobicContact CE2-CE1 4.47Å; F265-Y268 WeakPolarHBondContact O-CB 3.1Å; F265-Y268 PolarHBondContact O-N 2.99Å; Y268-V270 PolarHBondContact O-N 3.31Å; Y268-A271 PolarHBondContact O-N 2.82Å; Y268-S272 WeakPolarHBondContact CE2-OG 3.32Å; Y268-S272 WeakPolarHBondContact O-CB 3.3Å; Y268-S272 PolarHBondContact O-N 3.21Å; Y268-S272 PolarHBondContact O-OG 3.01Å; Y268-D279 PolarHBondContact OH-OD1 3.07Å; Y268-D279 VanDerWaalsContact OH-OD1 3.08Å
269	L	97.1	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-43.8	179.5	-68.5	178.9	0	0	0	112.1	F265 H266 S272 N273 L274 T276 D279	F265-L269 HydrophobicContact CD1-CD1 4.05Å; F265-L269 HydrophobicContact CE1-CD1 3.49Å; F265-L269 VanDerWaalsContact CE1-CD1 3.49Å; F265-L269 HydrophobicContact CE1-CG 4.21Å; F265-L269 HydrophobicContact CE2-CD1 4.34Å; F265-L269 HydrophobicContact CE2-CD2 4.22Å; F265-L269 HydrophobicContact CE2-CG 4.22Å; F265-L269 HydrophobicContact CZ-CD1 3.66Å; F265-L269 HydrophobicContact CZ-CD2 4.08Å; F265-L269 HydrophobicContact CZ-CG 4.02Å; F265-L269 WeakPolarHBondContact O-CG 3.48Å; F265-L269 PolarHBondContact O-N 3.38Å; H266-L269 PolarHBondContact O-N 3.32Å; L269-S272 CarbonylContact O-C 3.6Å; L269-S272 PolarHBondContact O-N 2.71Å; L269-N273 PolarHBondContact O-N 3.23Å; L269-L274 HydrophobicContact CD2-CB 3.84Å; L269-L274 PolarHBondContact O-N 2.79Å; L269-T276 WeakPolarHBondContact CD1-OG1 3.32Å; L269-D279 HydrophobicContact CD2-CB 3.73Å
270	V	97	Very high	96.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-45.4	176.9	173.7	0	0	0	0	110.8	Y200 Y204 H266 T267 Y268 S272 N273 N305 C306 T309 L310	Y200-V270 HydrophobicContact CE1-CG2 3.53Å; Y200-V270 WeakPolarHBondContact OH-CG2 3.23Å; Y204-V270 HydrophobicContact CD2-CG2 4.08Å; Y204-V270 HydrophobicContact CE2-CG2 4.2Å; H266-V270 WeakPolarHBondContact O-CB 3.34Å; H266-V270 VanDerWaalsContact O-CG2 3.25Å; H266-V270 WeakPolarHBondContact O-CG2 3.22Å; H266-V270 PolarHBondContact O-N 3.36Å; T267-V270 PolarHBondContact O-N 3.04Å; Y268-V270 PolarHBondContact O-N 3.31Å; V270-S272 PolarHBondContact O-N 3.25Å; V270-N273 PolarHBondContact O-N 3.12Å; V270-N273 VanDerWaalsContact O-N 3.16Å; V270-N305 WeakPolarHBondContact O-CB 3.14Å; V270-C306 HydrophobicContact CG1-CB 4.14Å; V270-T309 HydrophobicContact CG1-CG2 4.4Å; V270-T309 HydrophobicContact CG2-CG2 4.27Å; V270-L310 HydrophobicContact CG1-CD1 4.13Å; V270-L310 HydrophobicContact CG1-CG 4.18Å
271	A	96.1	Very high	96.3	Very high	20 Å²	20	39.1 Å²	39.1	17%	0.165	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-29.7	176.9	0	0	0	0	0	112.7	T267 Y268 I302 N305	T267-A271 VanDerWaalsContact O-CB 3.3Å; T267-A271 WeakPolarHBondContact O-CB 3.39Å; T267-A271 PolarHBondContact O-N 3.04Å; Y268-A271 PolarHBondContact O-N 2.82Å; A271-I302 HydrophobicContact CB-CG1 4.45Å; A271-I302 HydrophobicContact CB-CG2 3.76Å; A271-N305 WeakPolarHBondContact O-CB 3.49Å; A271-N305 PolarHBondContact O-ND2 2.91Å
272	S	94	Very high	95.8	Very high	34 Å²	34	37.8 Å²	37.8	24%	0.238	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.7	-178.7	-51.6	0	0	0	0	114	Y268 L269 V270 L274 N295	Y268-S272 WeakPolarHBondContact CE2-OG 3.32Å; Y268-S272 WeakPolarHBondContact O-CB 3.3Å; Y268-S272 PolarHBondContact O-N 3.21Å; Y268-S272 PolarHBondContact O-OG 3.01Å; L269-S272 CarbonylContact O-C 3.6Å; L269-S272 PolarHBondContact O-N 2.71Å; V270-S272 PolarHBondContact O-N 3.25Å; S272-L274 VanDerWaalsContact C-N 3.26Å; S272-L274 PolarHBondContact O-N 2.81Å; S272-N295 PolarHBondContact O-ND2 2.96Å
273	N	95.2	Very high	95.1	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	45	-170.4	-161.1	-14.7	0	0	0	113.6	R170 R183 L269 V270 N295 Y297 N305	R170-N273 PolarHBondContact NH1-OD1 3.04Å; R170-N273 PolarHBondContact NH2-O 3.32Å; R183-N273 PolarHBondContact NH2-OD1 2.95Å; L269-N273 PolarHBondContact O-N 3.23Å; V270-N273 PolarHBondContact O-N 3.12Å; V270-N273 VanDerWaalsContact O-N 3.16Å; N273-N295 PolarHBondContact O-ND2 3.47Å; N273-Y297 PolarHBondContact ND2-O 3Å; N273-N305 HydrophobicContact CB-CB 4.24Å
274	L	95.2	Very high	94.4	Very high	18 Å²	18	39.3 Å²	39.3	9%	0.094	21%	0.213	C	C	.	.			trans	-106.4	154.4	175.8	-67.4	174.3	0	0	0	110.6	L269 S272 E278 W284 N295	L269-L274 HydrophobicContact CD2-CB 3.84Å; L269-L274 PolarHBondContact O-N 2.79Å; S272-L274 VanDerWaalsContact C-N 3.26Å; S272-L274 PolarHBondContact O-N 2.81Å; L274-E278 HydrophobicContact CD2-CB 4.47Å; L274-W284 VanDerWaalsContact CD2-CD1 3.47Å; L274-W284 HydrophobicContact CD2-CG 4.5Å; L274-N295 HydrophobicContact CD2-CB 4.42Å; L274-N295 WeakPolarHBondContact CD2-ND2 3.43Å
275	T	97.1	Very high	93.1	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.212	C	C	.	.			trans	-97.3	155.8	158.8	77.5	0	0	0	0	110	R183 F184 D185 N277 E278 D279	R183-T275 HydrophobicContact CG-CG2 3.68Å; F184-T275 PolarHBondContact O-OG1 3.45Å; F184-T275 VanDerWaalsContact O-OG1 3.1Å; D185-T275 WeakPolarHBondContact OD1-CA 3.35Å; D185-T275 VanDerWaalsContact OD1-CB 3.24Å; D185-T275 WeakPolarHBondContact OD1-CB 3.47Å; T275-N277 PolarHBondContact O-N 2.87Å; T275-E278 PolarHBondContact N-OE2 3.45Å; T275-E278 WeakPolarHBondContact O-CB 3.43Å; T275-E278 PolarHBondContact O-N 2.92Å; T275-E278 WeakPolarHBondContact OG1-CG 3.4Å; T275-E278 PolarHBondContact OG1-N 2.8Å; T275-D279 PolarHBondContact O-N 3.01Å
276	T	97.4	Very high	91.3	Very high	14 Å²	14	39.4 Å²	39.4	9%	0.086	23%	0.225	C	C	.	.	H	α-helix	trans	-52.6	-42.6	174.2	-55.9	0	0	0	0	111.1	D185 F265 H266 L269 E278 D279 I280	D185-T276 PolarHBondContact OD1-N 3.45Å; D185-T276 PolarHBondContact OD1-OG1 2.95Å; D185-T276 VanDerWaalsContact OD2-CB 3.31Å; D185-T276 WeakPolarHBondContact OD2-CB 3.4Å; D185-T276 PolarHBondContact OD2-OG1 3.25Å; F265-T276 HydrophobicContact CE1-CG2 3.9Å; F265-T276 HydrophobicContact CZ-CG2 4.2Å; H266-T276 PolarHBondContact CE1-OG1 2.99Å; H266-T276 VanDerWaalsContact CE1-OG1 3.32Å; L269-T276 WeakPolarHBondContact CD1-OG1 3.32Å; T276-E278 VanDerWaalsContact C-N 3.32Å; T276-E278 PolarHBondContact O-N 3.31Å; T276-D279 PolarHBondContact O-N 3.38Å; T276-I280 HydrophobicContact CG2-CD1 3.6Å; T276-I280 HydrophobicContact CG2-CG1 4.26Å; T276-I280 WeakPolarHBondContact O-CB 3.44Å; T276-I280 VanDerWaalsContact O-CG1 3.31Å; T276-I280 WeakPolarHBondContact O-CG1 3.34Å; T276-I280 PolarHBondContact O-N 2.72Å
277	N	96.6	Very high	89.2	Confident	28 Å²	28	49 Å²	49	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-34.1	177.5	171.3	87.5	0	0	0	113.5	S172 F184 D185 T275 K281	S172-N277 PolarHBondContact OG-ND2 3.43Å; F184-N277 HydrophobicContact CD1-CB 4.03Å; F184-N277 HydrophobicContact CE1-CB 4.41Å; D185-N277 VanDerWaalsContact O-CB 3.25Å; D185-N277 WeakPolarHBondContact O-CB 3.42Å; D185-N277 PolarHBondContact O-N 2.84Å; T275-N277 PolarHBondContact O-N 2.87Å; N277-K281 VanDerWaalsContact O-CB 3.3Å; N277-K281 WeakPolarHBondContact O-CB 3.45Å; N277-K281 WeakPolarHBondContact O-CD 3.28Å; N277-K281 WeakPolarHBondContact O-CG 3.37Å; N277-K281 PolarHBondContact O-N 3.15Å; N277-K281 VanDerWaalsContact OD1-CE 3.32Å; N277-K281 WeakPolarHBondContact OD1-CE 3.27Å; N277-K281 PolarHBondContact OD1-NZ 2.78Å
278	E	94.6	Very high	87.1	Confident	6 Å²	6	55 Å²	55	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-74.1	-42.6	176.6	-71.4	164.7	168	0	0	111.8	R170 L274 T275 T276 K281 G282 S283	R170-E278 WeakPolarHBondContact CB-OE1 3.3Å; R170-E278 WeakPolarHBondContact CD-OE1 3.27Å; R170-E278 WeakPolarHBondContact CG-OE1 3.35Å; R170-E278 IonicContact CZ-OE1 3.38Å; R170-E278 IonicContact CZ-OE2 2.66Å; R170-E278 IonicContact NE-OE1 2.82Å; R170-E278 PolarHBondContact NE-OE1 3.09Å; R170-E278 IonicContact NE-OE2 3.51Å; R170-E278 PolarHBondContact NE-OE2 3.39Å; R170-E278 IonicContact NH2-OE1 3.46Å; R170-E278 IonicContact NH2-OE2 2.75Å; R170-E278 PolarHBondContact NH2-OE2 3.43Å; L274-E278 HydrophobicContact CD2-CB 4.47Å; T275-E278 PolarHBondContact N-OE2 3.45Å; T275-E278 WeakPolarHBondContact O-CB 3.43Å; T275-E278 PolarHBondContact O-N 2.92Å; T275-E278 WeakPolarHBondContact OG1-CG 3.4Å; T275-E278 PolarHBondContact OG1-N 2.8Å; T276-E278 VanDerWaalsContact C-N 3.32Å; T276-E278 PolarHBondContact O-N 3.31Å; E278-K281 PolarHBondContact O-N 2.77Å; E278-G282 PolarHBondContact O-N 3.41Å; E278-S283 WeakPolarHBondContact O-CB 3.38Å; E278-S283 PolarHBondContact O-N 3.35Å
279	D	94.1	Very high	84.7	Confident	52 Å²	52	53.1 Å²	53.1	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-52.4	178.9	-173	77.6	0	0	0	111.2	Y268 L269 T275 T276 K281 G282	Y268-D279 PolarHBondContact OH-OD1 3.07Å; Y268-D279 VanDerWaalsContact OH-OD1 3.08Å; L269-D279 HydrophobicContact CD2-CB 3.73Å; T275-D279 PolarHBondContact O-N 3.01Å; T276-D279 PolarHBondContact O-N 3.38Å; D279-K281 VanDerWaalsContact C-N 3.29Å; D279-K281 PolarHBondContact O-N 2.95Å; D279-G282 PolarHBondContact O-N 2.84Å
280	I	93.5	Very high	82.6	Confident	131 Å²	131	55.6 Å²	55.6	67%	0.672	32%	0.318	S	S	*	.	H	α-helix	trans	-60.1	-37.5	178.8	-68.2	174.5	0	0	0	112	T276 G282	T276-I280 HydrophobicContact CG2-CD1 3.6Å; T276-I280 HydrophobicContact CG2-CG1 4.26Å; T276-I280 WeakPolarHBondContact O-CB 3.44Å; T276-I280 VanDerWaalsContact O-CG1 3.31Å; T276-I280 WeakPolarHBondContact O-CG1 3.34Å; T276-I280 PolarHBondContact O-N 2.72Å; I280-G282 PolarHBondContact O-N 3.1Å
281	K	90.3	Very high	80.4	Confident	105 Å²	105	64.4 Å²	64.4	46%	0.457	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7	178.8	-76.3	175	176.4	161.7	0	113.4	N277 E278 D279 S283 R288	N277-K281 VanDerWaalsContact O-CB 3.3Å; N277-K281 WeakPolarHBondContact O-CB 3.45Å; N277-K281 WeakPolarHBondContact O-CD 3.28Å; N277-K281 WeakPolarHBondContact O-CG 3.37Å; N277-K281 PolarHBondContact O-N 3.15Å; N277-K281 VanDerWaalsContact OD1-CE 3.32Å; N277-K281 WeakPolarHBondContact OD1-CE 3.27Å; N277-K281 PolarHBondContact OD1-NZ 2.78Å; E278-K281 PolarHBondContact O-N 2.77Å; D279-K281 VanDerWaalsContact C-N 3.29Å; D279-K281 PolarHBondContact O-N 2.95Å; K281-S283 PolarHBondContact O-N 3.26Å; K281-R288 PolarHBondContact O-NH2 3.33Å
282	G	87.4	Confident	78.3	Confident	17 Å²	17	72.7 Å²	72.7	18%	0.175	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	40.7	-169	0	0	0	0	0	110.8	E278 D279 I280 W284 S285	E278-G282 PolarHBondContact O-N 3.41Å; D279-G282 PolarHBondContact O-N 2.84Å; I280-G282 PolarHBondContact O-N 3.1Å; G282-W284 PolarHBondContact O-N 3.3Å; G282-W284 VanDerWaalsContact O-N 3.13Å; G282-S285 PolarHBondContact O-N 2.87Å; G282-S285 PolarHBondContact O-OG 2.85Å
283	S	83.7	Confident	76.9	Confident	43 Å²	43	73.4 Å²	73.4	30%	0.301	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.3	-174	-84.5	0	0	0	0	112.8	E278 K281	E278-S283 WeakPolarHBondContact O-CB 3.38Å; E278-S283 PolarHBondContact O-N 3.35Å; K281-S283 PolarHBondContact O-N 3.26Å
284	W	82	Confident	76	Confident	66 Å²	66	75.2 Å²	75.2	25%	0.25	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	18.4	-175.3	-43.3	110	0	0	0	112.5	V155 L274 G282 N295 P296 Y297	V155-W284 HydrophobicContact CG2-CH2 4.14Å; V155-W284 HydrophobicContact CG2-CZ3 4.47Å; L274-W284 VanDerWaalsContact CD2-CD1 3.47Å; L274-W284 HydrophobicContact CD2-CG 4.5Å; G282-W284 PolarHBondContact O-N 3.3Å; G282-W284 VanDerWaalsContact O-N 3.13Å; W284-N295 HydrophobicContact CB-CB 4.28Å; W284-N295 HydrophobicContact CG-CB 4.24Å; W284-P296 VanDerWaalsContact CE3-CD 3.44Å; W284-P296 HydrophobicContact CE3-CG 4.14Å; W284-P296 HydrophobicContact CH2-CG 3.87Å; W284-P296 HydrophobicContact CZ2-CG 4.43Å; W284-P296 HydrophobicContact CZ3-CG 3.7Å; W284-Y297 AromaticContact CH2-CE2 3.95Å; W284-Y297 HydrophobicContact CH2-CE2 3.95Å; W284-Y297 HydrophobicContact CZ2-CD2 4.2Å; W284-Y297 AromaticContact CZ2-CE2 3.55Å; W284-Y297 HydrophobicContact CZ2-CE2 3.55Å
285	S	71.6	Confident	75.7	Confident	59 Å²	59	75.4 Å²	75.4	41%	0.413	42%	0.421	S	S	.	.			trans	-83.4	133.8	176.7	67.2	0	0	0	0	110.4	G282 K287 R288	G282-S285 PolarHBondContact O-N 2.87Å; G282-S285 PolarHBondContact O-OG 2.85Å; S285-K287 PolarHBondContact O-N 2.93Å; S285-R288 PolarHBondContact O-N 3.25Å
286	G	60	Low	75.3	Confident	57 Å²	57	75.7 Å²	75.7	59%	0.588	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-60.6	-5	-176.9	0	0	0	0	0	115.5	R288	G286-R288 PolarHBondContact O-N 3.43Å
287	K	54.3	Low	75	Confident	204 Å²	204	76.8 Å²	76.8	89%	0.887	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-69.3	-6.7	177.4	-71.6	-173.5	176.8	-178.8	0	114.3	S285	S285-K287 PolarHBondContact O-N 2.93Å
288	R	55.6	Low	74.7	Confident	181 Å²	181	77.8 Å²	77.8	68%	0.683	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-96.8	22.6	178.4	-79.3	-170.1	179.1	146.1	12	115.1	K281 S285 G286 A290	K281-R288 PolarHBondContact O-NH2 3.33Å; S285-R288 PolarHBondContact O-N 3.25Å; G286-R288 PolarHBondContact O-N 3.43Å; R288-A290 VanDerWaalsContact C-N 3.25Å; R288-A290 PolarHBondContact O-N 2.91Å
289	G	46.3	Very low	74.5	Confident	70 Å²	70	84.1 Å²	84.1	72%	0.722	46%	0.457	S	S	*	.	S	Bend	trans	73.1	11.5	168.4	0	0	0	0	0	115.5
290	A	53.4	Low	74.1	Confident	52 Å²	52	87.1 Å²	87.1	43%	0.43	48%	0.482	S	S	.	.			trans	-105.3	81.7	165.6	0	0	0	0	0	107.1	R288 E292 S293	R288-A290 VanDerWaalsContact C-N 3.25Å; R288-A290 PolarHBondContact O-N 2.91Å; A290-E292 PolarHBondContact O-N 3.24Å; A290-S293 WeakPolarHBondContact CB-OG 3.49Å
291	E	49.1	Very low	74	Confident	187 Å²	187	84.4 Å²	84.4	87%	0.874	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.8	-172.7	-72.8	-172	147.2	0	0	114.6
292	E	53	Low	74.3	Confident	194 Å²	194	84.7 Å²	84.7	91%	0.907	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-13.7	-177.5	-67.2	-162.8	151.1	0	0	116.1	A290 G294	A290-E292 PolarHBondContact O-N 3.24Å; E292-G294 PolarHBondContact O-N 3.38Å
293	S	63.8	Low	74.6	Confident	49 Å²	49	89.7 Å²	89.7	34%	0.343	50%	0.496	S	S	.	.			trans	-95.7	87.7	-172.9	59.9	0	0	0	0	112.5	Q153 A290	Q153-S293 VanDerWaalsContact NE2-CA 3.33Å; Q153-S293 VanDerWaalsContact NE2-CB 3.31Å; A290-S293 WeakPolarHBondContact CB-OG 3.49Å
294	G	77.6	Confident	75.2	Confident	45 Å²	45	90.6 Å²	90.6	46%	0.464	50%	0.5	S	S	.	.			trans	-62.7	176.8	164.9	0	0	0	0	0	112.4	Q153 E292 P296	Q153-G294 PolarHBondContact NE2-O 2.8Å; Q153-G294 VanDerWaalsContact NE2-O 3.08Å; Q153-G294 PolarHBondContact OE1-O 3Å; E292-G294 PolarHBondContact O-N 3.38Å; G294-P296 VanDerWaalsContact O-CD 3.27Å; G294-P296 WeakPolarHBondContact O-CD 3.16Å; G294-P296 VanDerWaalsContact O-N 3.08Å
295	N	87.8	Confident	75.8	Confident	22 Å²	22	87.6 Å²	87.6	12%	0.118	49%	0.489	C	S	.	.			trans	-53.4	111.9	179.8	175.8	9	0	0	0	111.9	S272 N273 L274 W284 Y297 T298	S272-N295 PolarHBondContact O-ND2 2.96Å; N273-N295 PolarHBondContact O-ND2 3.47Å; L274-N295 HydrophobicContact CD2-CB 4.42Å; L274-N295 WeakPolarHBondContact CD2-ND2 3.43Å; W284-N295 HydrophobicContact CB-CB 4.28Å; W284-N295 HydrophobicContact CG-CB 4.24Å; N295-Y297 PolarHBondContact O-N 2.85Å; N295-Y297 VanDerWaalsContact O-N 3.08Å; N295-Y297 WeakPolarHBondContact OD1-CD2 3.3Å; N295-Y297 PolarHBondContact OD1-N 3.48Å; N295-T298 WeakPolarHBondContact O-CG2 3.46Å; N295-T298 PolarHBondContact O-N 3.26Å
296	P	89.6	Confident	76.9	Confident	8 Å²	8	86.3 Å²	86.3	5%	0.052	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.3	-176.6	18.5	-25.1	0	0	0	113.9	I150 N151 W284 G294	I150-P296 HydrophobicContact CG2-CB 4.38Å; N151-P296 PolarHBondContact ND2-O 2.97Å; W284-P296 VanDerWaalsContact CE3-CD 3.44Å; W284-P296 HydrophobicContact CE3-CG 4.14Å; W284-P296 HydrophobicContact CH2-CG 3.87Å; W284-P296 HydrophobicContact CZ2-CG 4.43Å; W284-P296 HydrophobicContact CZ3-CG 3.7Å; G294-P296 VanDerWaalsContact O-CD 3.27Å; G294-P296 WeakPolarHBondContact O-CD 3.16Å; G294-P296 VanDerWaalsContact O-N 3.08Å
297	Y	91.2	Very high	78.6	Confident	36 Å²	36	86.5 Å²	86.5	14%	0.141	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.1	-177.6	-52.7	-78.4	0	0	0	113.1	I150 P169 R170 N273 W284 N295	I150-Y297 HydrophobicContact CD1-CE1 4.09Å; I150-Y297 WeakPolarHBondContact CD1-OH 3.4Å; I150-Y297 HydrophobicContact CG2-CE1 3.96Å; P169-Y297 VanDerWaalsContact CB-OH 3.31Å; P169-Y297 WeakPolarHBondContact CB-OH 3.49Å; R170-Y297 HydrophobicContact CG-CD2 4.36Å; R170-Y297 HydrophobicContact CG-CE1 4.08Å; R170-Y297 HydrophobicContact CG-CE2 3.79Å; N273-Y297 PolarHBondContact ND2-O 3Å; W284-Y297 AromaticContact CH2-CE2 3.95Å; W284-Y297 HydrophobicContact CH2-CE2 3.95Å; W284-Y297 HydrophobicContact CZ2-CD2 4.2Å; W284-Y297 AromaticContact CZ2-CE2 3.55Å; W284-Y297 HydrophobicContact CZ2-CE2 3.55Å; N295-Y297 PolarHBondContact O-N 2.85Å; N295-Y297 VanDerWaalsContact O-N 3.08Å; N295-Y297 WeakPolarHBondContact OD1-CD2 3.3Å; N295-Y297 PolarHBondContact OD1-N 3.48Å
298	T	90.7	Very high	80.4	Confident	50 Å²	50	78.8 Å²	78.8	31%	0.307	45%	0.445	S	S	.	.			trans	-72.4	141.2	177.6	-165.9	0	0	0	0	110.9	N295 S300 N305	N295-T298 WeakPolarHBondContact O-CG2 3.46Å; N295-T298 PolarHBondContact O-N 3.26Å; T298-S300 VanDerWaalsContact C-N 3.26Å; T298-S300 PolarHBondContact OG1-N 2.73Å; T298-N305 PolarHBondContact OG1-ND2 2.75Å; T298-N305 VanDerWaalsContact OG1-ND2 3.1Å
299	Y	89.4	Confident	82.2	Confident	139 Å²	139	70.6 Å²	70.6	55%	0.545	42%	0.415	S	S	.	.			trans	-88.7	9.4	170.2	-66	-80.3	0	0	0	112.4	N301 T304 N305 A308	Y299-N301 PolarHBondContact O-N 3.27Å; Y299-T304 HydrophobicContact CD1-CG2 4.14Å; Y299-T304 HydrophobicContact CD2-CG2 4.07Å; Y299-T304 HydrophobicContact CG-CG2 3.68Å; Y299-N305 WeakPolarHBondContact CD2-OD1 3.18Å; Y299-N305 PolarHBondContact N-OD1 2.73Å; Y299-A308 HydrophobicContact CD2-CB 4.15Å; Y299-A308 HydrophobicContact CE2-CB 3.54Å
300	S	84.9	Confident	84.5	Confident	115 Å²	115	69.3 Å²	69.3	80%	0.804	39%	0.392	S	S	*	.	S	Bend	trans	57.2	11.3	-175.8	-56.7	0	0	0	0	115	T298	T298-S300 VanDerWaalsContact C-N 3.26Å; T298-S300 PolarHBondContact OG1-N 2.73Å
301	N	93.3	Very high	86.4	Confident	73 Å²	73	71.6 Å²	71.6	39%	0.39	40%	0.403	S	S	.	.			trans	-138.2	123.4	179.6	179	-72.7	0	0	0	109.5	Y299 I303 T304 N305	Y299-N301 PolarHBondContact O-N 3.27Å; N301-I303 PolarHBondContact O-N 3.37Å; N301-I303 WeakPolarHBondContact OD1-CB 3.01Å; N301-I303 PolarHBondContact OD1-N 3.43Å; N301-T304 PolarHBondContact O-N 2.88Å; N301-T304 PolarHBondContact OD1-N 3.4Å; N301-T304 PolarHBondContact OD1-OG1 3.18Å; N301-T304 VanDerWaalsContact OD1-OG1 3.06Å; N301-N305 PolarHBondContact O-N 2.79Å
302	I	95.1	Very high	88.3	Confident	112 Å²	112	63.5 Å²	63.5	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-58.8	-46.5	-175.8	-66.4	171.4	0	0	0	111.3	A271 T304 N305 C306	A271-I302 HydrophobicContact CB-CG1 4.45Å; A271-I302 HydrophobicContact CB-CG2 3.76Å; I302-T304 VanDerWaalsContact C-N 3.31Å; I302-T304 PolarHBondContact O-N 3.29Å; I302-N305 PolarHBondContact O-N 2.84Å; I302-C306 WeakPolarHBondContact O-CB 3.42Å; I302-C306 PolarHBondContact O-N 3.42Å; I302-C306 PolarHBondContact O-SG 3.33Å
303	I	95.3	Very high	90.1	Very high	122 Å²	122	60.2 Å²	60.2	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-62.5	-43.8	-178.5	-59	174.2	0	0	0	109.7	N301 N305 C306 C307	N301-I303 PolarHBondContact O-N 3.37Å; N301-I303 WeakPolarHBondContact OD1-CB 3.01Å; N301-I303 PolarHBondContact OD1-N 3.43Å; I303-N305 PolarHBondContact O-N 2.96Å; I303-C306 WeakPolarHBondContact O-CB 3.34Å; I303-C306 PolarHBondContact O-N 3.44Å; I303-C307 WeakPolarHBondContact O-CB 3.08Å; I303-C307 PolarHBondContact O-N 3.31Å; I303-C307 PolarHBondContact O-SG 2.91Å
304	T	94.6	Very high	91.3	Very high	62 Å²	62	60.9 Å²	60.9	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-41.3	179.2	-52.2	0	0	0	0	111.3	Y299 N301 I302 C307 A308	Y299-T304 HydrophobicContact CD1-CG2 4.14Å; Y299-T304 HydrophobicContact CD2-CG2 4.07Å; Y299-T304 HydrophobicContact CG-CG2 3.68Å; N301-T304 PolarHBondContact O-N 2.88Å; N301-T304 PolarHBondContact OD1-N 3.4Å; N301-T304 PolarHBondContact OD1-OG1 3.18Å; N301-T304 VanDerWaalsContact OD1-OG1 3.06Å; I302-T304 VanDerWaalsContact C-N 3.31Å; I302-T304 PolarHBondContact O-N 3.29Å; T304-C307 PolarHBondContact O-N 2.73Å; T304-A308 WeakPolarHBondContact O-CB 3.48Å; T304-A308 PolarHBondContact O-N 3.37Å
305	N	94.9	Very high	92	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-44.9	173.9	-74.7	-23.8	0	0	0	112	V270 A271 N273 T298 Y299 N301 I302 I303 T309	V270-N305 WeakPolarHBondContact O-CB 3.14Å; A271-N305 WeakPolarHBondContact O-CB 3.49Å; A271-N305 PolarHBondContact O-ND2 2.91Å; N273-N305 HydrophobicContact CB-CB 4.24Å; T298-N305 PolarHBondContact OG1-ND2 2.75Å; T298-N305 VanDerWaalsContact OG1-ND2 3.1Å; Y299-N305 WeakPolarHBondContact CD2-OD1 3.18Å; Y299-N305 PolarHBondContact N-OD1 2.73Å; N301-N305 PolarHBondContact O-N 2.79Å; I302-N305 PolarHBondContact O-N 2.84Å; I303-N305 PolarHBondContact O-N 2.96Å; N305-T309 WeakPolarHBondContact O-CB 3.3Å; N305-T309 PolarHBondContact O-N 2.77Å; N305-T309 VanDerWaalsContact O-N 3.14Å; N305-T309 PolarHBondContact O-OG1 2.96Å
306	C	95.4	Very high	92.3	Very high	32 Å²	32	64.2 Å²	64.2	22%	0.216	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-51.6	175.4	-68.6	0	0	0	0	111.7	V270 I302 I303 A308 T309 L310	V270-C306 HydrophobicContact CG1-CB 4.14Å; I302-C306 WeakPolarHBondContact O-CB 3.42Å; I302-C306 PolarHBondContact O-N 3.42Å; I302-C306 PolarHBondContact O-SG 3.33Å; I303-C306 WeakPolarHBondContact O-CB 3.34Å; I303-C306 PolarHBondContact O-N 3.44Å; C306-A308 PolarHBondContact O-N 2.93Å; C306-T309 PolarHBondContact O-N 2.98Å; C306-L310 WeakPolarHBondContact O-CB 3.41Å; C306-L310 WeakPolarHBondContact O-CG 3.27Å; C306-L310 PolarHBondContact O-N 3.12Å
307	C	95.1	Very high	92.6	Very high	60 Å²	60	65.8 Å²	65.8	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-43.3	179.9	-70.2	0	0	0	0	112	I303 T304 T309 C311 G312	I303-C307 WeakPolarHBondContact O-CB 3.08Å; I303-C307 PolarHBondContact O-N 3.31Å; I303-C307 PolarHBondContact O-SG 2.91Å; T304-C307 PolarHBondContact O-N 2.73Å; C307-T309 PolarHBondContact O-N 2.95Å; C307-C311 HydrophobicContact CB-CB 4.46Å; C307-C311 CarbonylContact O-C 3.51Å; C307-C311 WeakPolarHBondContact O-CA 3.27Å; C307-C311 VanDerWaalsContact O-CB 3.32Å; C307-C311 WeakPolarHBondContact O-CB 3.43Å; C307-C311 PolarHBondContact O-N 2.73Å; C307-G312 PolarHBondContact O-N 3.39Å; C307-G312 VanDerWaalsContact O-N 3.14Å
308	A	92.3	Very high	92.8	Very high	43 Å²	43	68.4 Å²	68.4	36%	0.355	41%	0.406	S	S	.	.	H	α-helix	trans	-61.5	-33.4	177.6	0	0	0	0	0	112.3	Y299 T304 C306	Y299-A308 HydrophobicContact CD2-CB 4.15Å; Y299-A308 HydrophobicContact CE2-CB 3.54Å; T304-A308 WeakPolarHBondContact O-CB 3.48Å; T304-A308 PolarHBondContact O-N 3.37Å; C306-A308 PolarHBondContact O-N 2.93Å
309	T	92.6	Very high	93	Very high	9 Å²	9	66.9 Å²	66.9	6%	0.055	40%	0.396	C	S	.	.	H	α-helix	trans	-86.4	-40.3	-178.8	-59.7	0	0	0	0	113.1	R183 Y200 V270 N305 C306 C307	R183-T309 PolarHBondContact NH2-OG1 2.76Å; Y200-T309 HydrophobicContact CD1-CG2 3.78Å; Y200-T309 HydrophobicContact CE1-CG2 3.85Å; V270-T309 HydrophobicContact CG1-CG2 4.4Å; V270-T309 HydrophobicContact CG2-CG2 4.27Å; N305-T309 WeakPolarHBondContact O-CB 3.3Å; N305-T309 PolarHBondContact O-N 2.77Å; N305-T309 VanDerWaalsContact O-N 3.14Å; N305-T309 PolarHBondContact O-OG1 2.96Å; C306-T309 PolarHBondContact O-N 2.98Å; C307-T309 PolarHBondContact O-N 2.95Å
310	L	95.3	Very high	93.1	Very high	43 Å²	43	64.5 Å²	64.5	23%	0.225	39%	0.392	C	S	.	.	H	α-helix	trans	-101.8	-33.5	-169.4	-58.3	178.9	0	0	0	113.4	R201 Y204 V270 C306	R201-L310 HydrophobicContact CB-CD2 4.45Å; Y204-L310 HydrophobicContact CD1-CD1 3.65Å; Y204-L310 HydrophobicContact CD1-CD2 3.53Å; Y204-L310 HydrophobicContact CD1-CG 4.26Å; Y204-L310 HydrophobicContact CE1-CD1 3.49Å; Y204-L310 VanDerWaalsContact CE1-CD1 3.49Å; Y204-L310 HydrophobicContact CE1-CD2 4.24Å; Y204-L310 HydrophobicContact CG-CD2 3.83Å; V270-L310 HydrophobicContact CG1-CD1 4.13Å; V270-L310 HydrophobicContact CG1-CG 4.18Å; C306-L310 WeakPolarHBondContact O-CB 3.41Å; C306-L310 WeakPolarHBondContact O-CG 3.27Å; C306-L310 PolarHBondContact O-N 3.12Å
311	C	94.5	Very high	93.4	Very high	99 Å²	99	61.1 Å²	61.1	67%	0.669	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-13.3	-171.9	-54	0	0	0	0	113.5	C307	C307-C311 HydrophobicContact CB-CB 4.46Å; C307-C311 CarbonylContact O-C 3.51Å; C307-C311 WeakPolarHBondContact O-CA 3.27Å; C307-C311 VanDerWaalsContact O-CB 3.32Å; C307-C311 WeakPolarHBondContact O-CB 3.43Å; C307-C311 PolarHBondContact O-N 2.73Å
312	G	88.4	Confident	93.3	Very high	18 Å²	18	62.1 Å²	62.1	19%	0.186	36%	0.36	C	S	.	.	S	Bend	trans	-60.3	160.2	178.8	0	0	0	0	0	113.2	R201 C307	R201-G312 PolarHBondContact NH1-O 2.99Å; R201-G312 PolarHBondContact NH2-O 3.34Å; C307-G312 PolarHBondContact O-N 3.39Å; C307-G312 VanDerWaalsContact O-N 3.14Å
313	P	90.6	Very high	93.1	Very high	124 Å²	124	57.5 Å²	57.5	81%	0.805	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-58.6	146.4	175.6	25.5	-33.7	0	0	0	110.9	R201 P315	R201-P313 PolarHBondContact NH2-O 3.4Å; P313-P315 WeakPolarHBondContact O-CD 3.26Å
314	M	89.3	Confident	92.9	Very high	64 Å²	64	56.9 Å²	56.9	32%	0.315	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-72.6	120.9	172	175.7	161.4	-68.8	0	0	108.2	R198 Y202	R198-M314 WeakPolarHBondContact O-CE 3.44Å; Y202-M314 HydrophobicContact CE1-CE 4.32Å; Y202-M314 HydrophobicContact CE2-CE 3.49Å; Y202-M314 VanDerWaalsContact CE2-CE 3.49Å; Y202-M314 WeakPolarHBondContact OH-CE 3.37Å
315	P	91.8	Very high	92.5	Very high	33 Å²	33	55.9 Å²	55.9	21%	0.214	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-61.1	162.4	175.5	25.7	-33.1	0	0	0	110.2	K197 R198 P313	K197-P315 HydrophobicContact CD-CG 4.16Å; K197-P315 HydrophobicContact CG-CG 4.25Å; R198-P315 HydrophobicContact CG-CG 4.12Å; R198-P315 PolarHBondContact NH1-O 2.97Å; P313-P315 WeakPolarHBondContact O-CD 3.26Å
316	P	94.2	Very high	91.9	Very high	103 Å²	103	58.6 Å²	58.6	67%	0.669	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-73.4	161.4	172.3	31	-35.1	0	0	0	111.7	R198	R198-P316 PolarHBondContact NH1-O 3.18Å
317	S	95.5	Very high	90.6	Very high	41 Å²	41	62.7 Å²	62.7	29%	0.287	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-79.8	135.7	175.4	180	0	0	0	0	107.5	D112 I319	D112-S317 WeakPolarHBondContact OD2-CB 3.26Å; D112-S317 PolarHBondContact OD2-OG 3Å; S317-I319 VanDerWaalsContact C-N 3.28Å; S317-I319 WeakPolarHBondContact OG-CG1 3.46Å; S317-I319 PolarHBondContact OG-N 3.45Å; S317-I319 PolarHBondContact OG-O 3.23Å
318	L	95.7	Very high	89.2	Confident	91 Å²	91	67.4 Å²	67.4	48%	0.476	39%	0.391	S	S	.	.	S	Bend	trans	-89.6	1	-180	-60.7	177.7	0	0	0	112.4	L116	L116-L318 HydrophobicContact CD2-CD1 3.56Å
319	I	94.2	Very high	87.5	Confident	18 Å²	18	71.8 Å²	71.8	9%	0.092	40%	0.404	C	S	.	.	S	Bend	trans	-112.3	120.4	175.7	56.3	167.8	0	0	0	110.1	F39 I52 I115 S317 R321	F39-I319 HydrophobicContact CE2-CB 4.3Å; F39-I319 HydrophobicContact CE2-CD1 3.9Å; F39-I319 HydrophobicContact CE2-CG2 4.01Å; F39-I319 HydrophobicContact CZ-CD1 4.02Å; I52-I319 HydrophobicContact CD1-CD1 4.45Å; I115-I319 HydrophobicContact CB-CD1 4.27Å; I115-I319 HydrophobicContact CB-CG2 4.38Å; I115-I319 HydrophobicContact CD1-CD1 4.25Å; I115-I319 HydrophobicContact CG2-CG2 4.19Å; S317-I319 VanDerWaalsContact C-N 3.28Å; S317-I319 WeakPolarHBondContact OG-CG1 3.46Å; S317-I319 PolarHBondContact OG-N 3.45Å; S317-I319 PolarHBondContact OG-O 3.23Å; I319-R321 HydrophobicContact CB-CG 4.46Å; I319-R321 HydrophobicContact CD1-CG 3.69Å; I319-R321 HydrophobicContact CG1-CG 3.94Å; I319-R321 PolarHBondContact O-N 3.04Å; I319-R321 VanDerWaalsContact O-N 3.12Å
320	D	91.7	Very high	85.4	Confident	89 Å²	89	74.1 Å²	74.1	48%	0.476	42%	0.424	S	S	.	.			trans	-82.4	86.1	171	174.8	22.1	0	0	0	109.8	K35 R322 G323	K35-D320 WeakPolarHBondContact CB-O 3.34Å; K35-D320 HydrophobicContact CD-CB 4.18Å; K35-D320 WeakPolarHBondContact CD-O 3.33Å; K35-D320 IonicContact NZ-OD2 3.54Å; K35-D320 PolarHBondContact NZ-OD2 3.33Å; D320-R322 PolarHBondContact OD1-N 3.4Å; D320-G323 WeakPolarHBondContact OD1-CA 3.41Å; D320-G323 PolarHBondContact OD1-N 2.89Å; D320-G323 WeakPolarHBondContact OD2-CA 3.24Å
321	R	91.3	Very high	83.3	Confident	45 Å²	45	77.5 Å²	77.5	17%	0.17	44%	0.441	C	S	.	.	S	Bend	trans	-70.8	-33.8	-177	-65.2	179.2	-71.5	155.9	1.2	112.9	W36 F45 G49 R50 I319	W36-R321 HydrophobicContact CB-CB 4.28Å; W36-R321 WeakPolarHBondContact CB-O 3.39Å; W36-R321 VanDerWaalsContact CD1-O 3.25Å; W36-R321 PolarHBondContact N-O 2.8Å; F45-R321 VanDerWaalsContact CE1-CD 3.41Å; F45-R321 HydrophobicContact CE1-CG 4.02Å; G49-R321 PolarHBondContact O-NE 3.26Å; G49-R321 PolarHBondContact O-NH1 3.44Å; R50-R321 PolarHBondContact O-NH1 3.38Å; R50-R321 PolarHBondContact O-NH2 2.73Å; I319-R321 HydrophobicContact CB-CG 4.46Å; I319-R321 HydrophobicContact CD1-CG 3.69Å; I319-R321 HydrophobicContact CG1-CG 3.94Å; I319-R321 PolarHBondContact O-N 3.04Å; I319-R321 VanDerWaalsContact O-N 3.12Å
322	R	91.5	Very high	80.7	Confident	93 Å²	93	79.2 Å²	79.2	35%	0.351	45%	0.451	S	S	.	.	S	Bend	trans	-99.9	-10.1	-168.7	-61.6	-173.5	69.4	-137.3	-4.4	113.1	R34 D48 D320	R34-R322 WeakPolarHBondContact CD-O 3.32Å; R34-R322 PolarHBondContact NH1-O 3.28Å; D48-R322 WeakPolarHBondContact O-CG 3.41Å; D48-R322 PolarHBondContact O-NE 2.71Å; D48-R322 IonicContact OD2-CZ 3.63Å; D48-R322 IonicContact OD2-NE 3.68Å; D48-R322 PolarHBondContact OD2-NE 2.73Å; D48-R322 IonicContact OD2-NH2 2.76Å; D48-R322 PolarHBondContact OD2-NH2 3.03Å; D320-R322 PolarHBondContact OD1-N 3.4Å
323	G	90.9	Very high	78.3	Confident	16 Å²	16	81.8 Å²	81.8	17%	0.165	47%	0.471	C	S	.	.	S	Bend	trans	-57.6	159.2	168.7	0	0	0	0	0	112.5	R34 K35 D320	R34-G323 WeakPolarHBondContact CA-O 3.47Å; K35-G323 PolarHBondContact N-O 3.46Å; D320-G323 WeakPolarHBondContact OD1-CA 3.41Å; D320-G323 PolarHBondContact OD1-N 2.89Å; D320-G323 WeakPolarHBondContact OD2-CA 3.24Å
324	F	90.3	Very high	75.6	Confident	108 Å²	108	79.9 Å²	79.9	47%	0.474	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-86.6	148.6	171.8	-67.3	-77.7	0	0	0	109.9	P32 R33 K35	P32-F324 HydrophobicContact CB-CD1 3.55Å; P32-F324 HydrophobicContact CB-CE1 3.8Å; P32-F324 HydrophobicContact CB-CG 4.35Å; R33-F324 WeakPolarHBondContact O-CA 3.47Å; K35-F324 WeakPolarHBondContact CE-O 3.34Å
325	L	86.5	Confident	73	Confident	42 Å²	42	82.2 Å²	82.2	22%	0.22	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-73.7	142.6	168.9	-70.6	164.8	0	0	0	109.6	R33 K35 A38	R33-L325 HydrophobicContact CB-CD1 4Å; R33-L325 PolarHBondContact O-N 2.91Å; K35-L325 HydrophobicContact CG-CD2 3.81Å; K35-L325 HydrophobicContact CG-CG 4.1Å; A38-L325 HydrophobicContact CB-CD1 3.63Å
326	P	82.2	Confident	70.2	Confident	60 Å²	60	84.5 Å²	84.5	39%	0.39	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-55.9	144.4	168.4	-20.8	32.3	0	0	0	110.5	D328 E329	P326-D328 PolarHBondContact O-N 3.03Å; P326-D328 VanDerWaalsContact O-N 3.1Å; P326-E329 HydrophobicContact CB-CB 4.45Å; P326-E329 HydrophobicContact CB-CG 4.33Å; P326-E329 WeakPolarHBondContact CD-OE2 3.25Å; P326-E329 HydrophobicContact CG-CB 4.49Å; P326-E329 HydrophobicContact CG-CG 4.23Å; P326-E329 PolarHBondContact O-N 3.28Å
327	P	69.3	Low	67.2	Low	118 Å²	118	84.4 Å²	84.4	77%	0.766	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.1	179.8	-25.8	34.3	0	0	0	114.4
328	D	64.6	Low	64.2	Low	159 Å²	159	91.2 Å²	91.2	85%	0.85	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.9	-173.8	-63.6	-30.3	0	0	0	114.4	P326 A330	P326-D328 PolarHBondContact O-N 3.03Å; P326-D328 VanDerWaalsContact O-N 3.1Å; D328-A330 VanDerWaalsContact C-N 3.3Å; D328-A330 PolarHBondContact O-N 2.83Å
329	E	57.7	Low	61	Low	134 Å²	134	94.6 Å²	94.6	63%	0.626	56%	0.561	S	S	*	*			trans	-93	23.9	178.1	-76.4	-171	159.7	0	0	113.3	P326 I331	P326-E329 HydrophobicContact CB-CB 4.45Å; P326-E329 HydrophobicContact CB-CG 4.33Å; P326-E329 WeakPolarHBondContact CD-OE2 3.25Å; P326-E329 HydrophobicContact CG-CB 4.49Å; P326-E329 HydrophobicContact CG-CG 4.23Å; P326-E329 PolarHBondContact O-N 3.28Å; E329-I331 PolarHBondContact O-N 2.96Å
330	A	48.8	Very low	57.9	Low	58 Å²	58	102.2 Å²	102.2	48%	0.479	60%	0.596	S	S	.	*			trans	-70.5	100.7	173	0	0	0	0	0	110.6	D328	D328-A330 VanDerWaalsContact C-N 3.3Å; D328-A330 PolarHBondContact O-N 2.83Å
331	I	49.8	Very low	55.2	Low	114 Å²	114	104.2 Å²	104.2	59%	0.585	61%	0.606	S	S	*	*			trans	92.5	124.4	147.9	-59.6	-176.9	0	0	0	115.5	E329 A333	E329-I331 PolarHBondContact O-N 2.96Å; I331-A333 HydrophobicContact CG2-CB 3.68Å
332	P	40.3	Very low	52.5	Low	136 Å²	136	106.9 Å²	106.9	88%	0.883	63%	0.629	S	S	*	*				-106.8	114.4	94.9	-12.5	29.1	0	0	0	112
333	A	37.7	Very low	49.7	Very low	72 Å²	72	108.3 Å²	108.3	60%	0.595	65%	0.651	S	S	*	*			trans	-66.3	148.7	162	0	0	0	0	0	105.2	I331 A335	I331-A333 HydrophobicContact CG2-CB 3.68Å; A333-A335 PolarHBondContact O-N 3.35Å
334	A	34.7	Very low	46.8	Very low	84 Å²	84	116.6 Å²	116.6	69%	0.694	68%	0.682	S	S	*	*			trans	-28.3	125.4	174.4	0	0	0	0	0	112.7	A336	A334-A336 HydrophobicContact CB-CB 3.93Å; A334-A336 PolarHBondContact O-N 2.99Å
335	A	33.7	Very low	44.2	Very low	113 Å²	113	116.9 Å²	116.9	93%	0.934	69%	0.693	S	S	*	*			trans	-59.5	75.7	145.2	0	0	0	0	0	107.6	A333	A333-A335 PolarHBondContact O-N 3.35Å
336	A	34	Very low	41.6	Very low	81 Å²	81	121 Å²	121	67%	0.669	72%	0.722	S	S	*	*			trans	-127.8	55.2	161.8	0	0	0	0	0	104.9	A334 E338	A334-A336 HydrophobicContact CB-CB 3.93Å; A334-A336 PolarHBondContact O-N 2.99Å; A336-E338 PolarHBondContact O-N 3.01Å
337	S	30.8	Very low	39.1	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	74%	0.741	S	S	*	*			trans	-73.5	111.1	143.3	65	0	0	0	0	104.4	M339	S337-M339 PolarHBondContact O-N 3.42Å
338	E	32.1	Very low	37.6	Very low	184 Å²	184	126.3 Å²	126.3	86%	0.86	74%	0.741	S	S	*	*			trans	-46	107.4	145.2	-73.2	174.8	140.8	0	0	105.7	A336 E340	A336-E338 PolarHBondContact O-N 3.01Å; E338-E340 PolarHBondContact O-N 3.45Å
339	M	28.6	Very low	36.1	Very low	163 Å²	163	125.5 Å²	125.5	80%	0.803	74%	0.737	S	S	*	*			trans	-69	93.7	161.8	-171.7	161.8	-177.8	0	0	103.4	S337 L341	S337-M339 PolarHBondContact O-N 3.42Å; M339-L341 PolarHBondContact O-N 3.08Å
340	E	29.1	Very low	35.3	Very low	178 Å²	178	123.6 Å²	123.6	83%	0.832	74%	0.744	S	S	*	*			trans	-52.8	99.6	160.1	-80.3	-174.3	140.8	0	0	106	E338	E338-E340 PolarHBondContact O-N 3.45Å
341	L	35.8	Very low	35	Very low	131 Å²	131	128.2 Å²	128.2	69%	0.686	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.8	129.3	161.8	-81.1	155.8	0	0	0	105.9	M339	M339-L341 PolarHBondContact O-N 3.08Å
342	P	34.4	Very low	34.1	Very low	101 Å²	101	131.5 Å²	131.5	66%	0.656	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-58.9	144.6	176.6	25.3	-31.9	0	0	0	108.9	F344	P342-F344 PolarHBondContact O-N 3.31Å; P342-F344 VanDerWaalsContact O-N 3.08Å
343	P	32.7	Very low	34.1	Very low	123 Å²	123	134.4 Å²	134.4	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60.4	119.6	-178.7	22.5	-29.9	0	0	0	109.2	T345	P343-T345 PolarHBondContact O-N 3.08Å
344	F	30.2	Very low	34.3	Very low	189 Å²	189	139.3 Å²	139.3	83%	0.829	79%	0.788	S	S	*	*			trans	-60.8	106.5	167.5	-87	-92.1	0	0	0	108.3	P342	P342-F344 PolarHBondContact O-N 3.31Å; P342-F344 VanDerWaalsContact O-N 3.08Å
345	T	35.3	Very low	34.3	Very low	114 Å²	114	143.2 Å²	143.2	70%	0.699	80%	0.798	S	S	*	*			trans	-61.8	126.6	160.5	51.2	0	0	0	0	108.5	P343 K347	P343-T345 PolarHBondContact O-N 3.08Å; T345-K347 PolarHBondContact O-N 3.36Å; T345-K347 VanDerWaalsContact O-N 3.08Å
346	P	31.8	Very low	34.3	Very low	129 Å²	129	144.3 Å²	144.3	84%	0.838	80%	0.797	S	S	*	*			trans	-70.9	109.2	174.5	28.3	-29.6	0	0	0	108.2	S348	P346-S348 PolarHBondContact O-N 3.44Å
347	K	30.1	Very low	34.3	Very low	180 Å²	180	149.3 Å²	149.3	78%	0.783	81%	0.806	S	S	*	*			trans	-72.8	118.8	159	-84.3	-175.6	175.5	-179.4	0	107.2	T345 D349	T345-K347 PolarHBondContact O-N 3.36Å; T345-K347 VanDerWaalsContact O-N 3.08Å; K347-D349 PolarHBondContact O-N 3.28Å
348	S	37.8	Very low	34.6	Very low	110 Å²	110	153.4 Å²	153.4	77%	0.769	81%	0.814	S	S	*	*			trans	-66.6	112.3	164.4	52.8	0	0	0	0	108.7	P346	P346-S348 PolarHBondContact O-N 3.44Å
349	D	32.9	Very low	34.7	Very low	141 Å²	141	154.8 Å²	154.8	75%	0.754	82%	0.818	S	S	*	*			trans	-126.4	96.6	164.4	-74.2	-39.7	0	0	0	108.4	K347 N351	K347-D349 PolarHBondContact O-N 3.28Å; D349-N351 PolarHBondContact O-N 3.1Å
350	A	41.4	Very low	35	Very low	95 Å²	95	152.3 Å²	152.3	79%	0.785	82%	0.816	S	S	*	*			trans	-68.4	103.6	155.8	0	0	0	0	0	107.3
351	N	41.2	Very low	35.5	Very low	155 Å²	155	151.4 Å²	151.4	83%	0.829	82%	0.817	S	S	*	*			trans	160.3	90.7	149.6	-90.3	-12.5	0	0	0	109.2	D349	D349-N351 PolarHBondContact O-N 3.1Å
352	M	31.6	Very low	35.6	Very low	183 Å²	183	150.8 Å²	150.8	90%	0.901	82%	0.823	S	S	*	*			trans	-161.3	50.9	153.3	-151.7	113.4	70.9	0	0	110.8
353	E	40.2	Very low	35.7	Very low	197 Å²	197	152.2 Å²	152.2	92%	0.921	83%	0.834	S	S	*	*			trans	-92.1	81.3	158.6	-82.6	-173.5	145.7	0	0	107.9
354	E	41.1	Very low	35.8	Very low	174 Å²	174	153.2 Å²	153.2	81%	0.813	84%	0.838	S	S	*	*	S	Bend	trans	-179.3	90	158.8	-109.2	178.2	171.7	0	0	108.2
355	N	35	Very low	36.1	Very low	167 Å²	167	152.9 Å²	152.9	89%	0.893	87%	0.87	S	S	*	*	S	Bend	trans	160.7	27.4	150.2	-96.3	-4.2	0	0	0	115.2
356	C	33.9	Very low	36.1	Very low	135 Å²	135	154.9 Å²	154.9	91%	0.912	88%	0.879	S	S	*	*			trans	-108.6	48.3	172.6	-148.1	0	0	0	0	112.6
357	Q	35.2	Very low	36.3	Very low	187 Å²	187	156.2 Å²	156.2	87%	0.874	88%	0.881	S	S	*	*	S	Bend	trans	-127.1	-1	173.4	-90.8	-171.1	-24.6	0	0	116.4
358	E	36.9	Very low	36.7	Very low	185 Å²	185	154.9 Å²	154.9	86%	0.864	89%	0.887	S	S	*	*	S	Bend	trans	-109.4	11.9	-172.1	-113.9	-169.3	169.6	0	0	117.7
359	F	32.6	Very low	36.6	Very low	214 Å²	214	157.5 Å²	157.5	94%	0.939	89%	0.893	S	S	*	*	S	Bend	trans	-125.2	19.4	-176.9	-105.5	-86.7	0	0	0	116.5
360	S	36.3	Very low	36.8	Very low	110 Å²	110	158.6 Å²	158.6	77%	0.769	90%	0.902	S	S	*	*	S	Bend	trans	-105.5	14.2	178.1	73.9	0	0	0	0	115.8
361	L	40.1	Very low	36.5	Very low	160 Å²	160	162.8 Å²	162.8	84%	0.838	91%	0.91	S	S	*	*	S	Bend	trans	-129.1	74.6	179.2	-84.7	154	0	0	0	111.8
362	S	37	Very low	36.2	Very low	118 Å²	118	163.4 Å²	163.4	83%	0.825	92%	0.916	S	S	*	*			trans	-177.3	80.5	149.9	-89.9	0	0	0	0	111
363	C	35.8	Very low	36.6	Very low	130 Å²	130	161.8 Å²	161.8	88%	0.878	92%	0.917	S	S	*	*			trans	-164	63.6	155.4	-99.4	0	0	0	0	110.2
364	T	35.9	Very low	36.3	Very low	145 Å²	145	158.9 Å²	158.9	89%	0.89	92%	0.917	S	S	*	*			trans	-157.9	96	155.9	42.1	0	0	0	0	108.9
365	A	35.4	Very low	35.8	Very low	182 Å²	182	157.5 Å²	157.5	100%	1.504	93%	0.926	S	S	*	*			trans	-167.7	0	148.9	0	0	0	0	0	108.2

Retrieved 365 of 365 residues in 252.4 ms (Link to these results)

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