A0A096MTP2_PAPAN Loading...

Kelch-like protein 24

AlphaFold DB (Q6TFL4), UniProt , Accession A0A096MTP2, Species PAPAN (Papio anubis, Olive baboon), Gene KLHL24, Length 600 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	39.7	Very low	239 Å²	239	142 Å²	142	100%	1.177	67%	0.673	S	S	*	*				0	95.2	0	-117.5	179.2	-175.3	0	0	107.1
2	V	40.5	Very low	39	Very low	71 Å²	71	145.4 Å²	145.4	43%	0.43	69%	0.688	S	S	.	*			trans	-84.6	117.2	173.5	-179.8	0	0	0	0	106.3	I4 Q137	V2-I4 VanDerWaalsContact C-N 3.34Å; V2-I4 HydrophobicContact CB-CG1 4.44Å; V2-I4 HydrophobicContact CG1-CG1 4Å; V2-I4 PolarHBondContact O-N 2.94Å; V2-Q137 PolarHBondContact O-NE2 3.16Å
3	L	43.6	Very low	38.7	Very low	145 Å²	145	146.8 Å²	146.8	76%	0.759	70%	0.702	S	S	*	*			trans	-71.1	86.3	176.9	-99.8	146.1	0	0	0	108.8	L5	L3-L5 PolarHBondContact O-N 3.29Å; L3-L5 VanDerWaalsContact O-N 3.12Å
4	I	56.6	Low	38.3	Very low	15 Å²	15	148.6 Å²	148.6	8%	0.077	72%	0.716	C	S	.	*			trans	-75.6	10.2	178.5	-61.7	-178.7	0	0	0	112.2	V2 Q137 I171 F174	V2-I4 VanDerWaalsContact C-N 3.34Å; V2-I4 HydrophobicContact CB-CG1 4.44Å; V2-I4 HydrophobicContact CG1-CG1 4Å; V2-I4 PolarHBondContact O-N 2.94Å; I4-Q137 VanDerWaalsContact CB-NE2 3.26Å; I4-Q137 HydrophobicContact CD1-CG 3.96Å; I4-I171 HydrophobicContact CG2-CG1 3.78Å; I4-F174 HydrophobicContact CD1-CB 3.83Å; I4-F174 HydrophobicContact CD1-CD2 4.02Å; I4-F174 HydrophobicContact CD1-CG 4.04Å
5	L	44.4	Very low	38	Very low	94 Å²	94	143.9 Å²	143.9	49%	0.492	72%	0.722	S	S	.	*			trans	-116.1	81.6	-169.7	-70	167.7	0	0	0	112.2	L3	L3-L5 PolarHBondContact O-N 3.29Å; L3-L5 VanDerWaalsContact O-N 3.12Å
6	G	40.4	Very low	37.6	Very low	35 Å²	35	143 Å²	143	36%	0.361	73%	0.726	S	S	.	*			trans	-68.6	123.7	155.4	0	0	0	0	0	110.2	R8	G6-R8 PolarHBondContact O-N 3.01Å
7	R	40.2	Very low	37.3	Very low	245 Å²	245	149.3 Å²	149.3	93%	0.925	74%	0.739	S	S	*	*			trans	-69.7	115.6	177.8	-82.6	-179.9	170.5	176.8	-2.5	110.5	L9	R7-L9 PolarHBondContact O-N 3.34Å
8	R	40.1	Very low	36.9	Very low	164 Å²	164	148.9 Å²	148.9	62%	0.619	74%	0.74	S	S	*	*			trans	-62.7	119.5	160.7	-90.4	-175.7	174.1	170.5	1.2	110.2	G6 N10 D164	G6-R8 PolarHBondContact O-N 3.01Å; R8-N10 PolarHBondContact O-N 2.68Å; R8-D164 IonicContact NE-OD2 2.68Å; R8-D164 IonicContact NH2-OD2 3.7Å
9	L	34.5	Very low	36.8	Very low	174 Å²	174	147.2 Å²	147.2	91%	0.911	74%	0.744	S	S	*	*			trans	-78.9	94.3	158.8	-82.6	158.8	0	0	0	107.5	R7 R11	R7-L9 PolarHBondContact O-N 3.34Å; L9-R11 PolarHBondContact O-N 3.01Å
10	N	33.7	Very low	36.5	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	75%	0.746	S	S	*	*			trans	-65	118.9	175.5	-85.1	-14.2	0	0	0	110.2	R8	R8-N10 PolarHBondContact O-N 2.68Å
11	R	32.7	Very low	36.4	Very low	245 Å²	245	143.6 Å²	143.6	93%	0.925	75%	0.749	S	S	*	*			trans	-83.7	109.2	161.3	-146.8	177.6	-179.2	-176.6	-0.8	106.4	L9	L9-R11 PolarHBondContact O-N 3.01Å
12	E	31.4	Very low	36.6	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	73%	0.731	S	S	*	*			trans	-65.3	126.4	173	-66.3	-178.7	152.1	0	0	109.5
13	D	34	Very low	36.3	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	75%	0.753	S	S	*	*			trans	-144.2	132.3	150.9	-124.8	-19.7	0	0	0	110.6
14	L	33.4	Very low	35.8	Very low	173 Å²	173	149 Å²	149	91%	0.906	76%	0.759	S	S	*	*			trans	-80.1	143	-165.9	-71.4	128.2	0	0	0	112.3
15	G	33.7	Very low	34.8	Very low	78 Å²	78	158.2 Å²	158.2	80%	0.804	80%	0.798	S	S	*	*			trans	179.4	68.2	171.1	0	0	0	0	0	115.1
16	V	31.3	Very low	34.4	Very low	129 Å²	129	160.1 Å²	160.1	78%	0.782	81%	0.813	S	S	*	*			trans	-66.5	135.1	171	173.7	0	0	0	0	111.1
17	R	33.4	Very low	34.3	Very low	250 Å²	250	167.3 Å²	167.3	94%	0.943	84%	0.835	S	S	*	*			trans	-155.7	113.1	142.6	-107.4	177.1	-170.8	-165.5	2.1	111.4
18	D	30.3	Very low	34.2	Very low	143 Å²	143	164.7 Å²	164.7	77%	0.765	83%	0.833	S	S	*	*			trans	-62.1	147.6	172.4	-77.1	-50.2	0	0	0	113.9
19	S	34.4	Very low	34.1	Very low	116 Å²	116	164.1 Å²	164.1	81%	0.811	84%	0.839	S	S	*	*				-175.7	134	119.5	32.7	0	0	0	0	111.8
20	P	32.2	Very low	34.5	Very low	120 Å²	120	163.8 Å²	163.8	78%	0.779	84%	0.839	S	S	*	*			trans	-95.3	147.2	179.2	36.1	-30.5	0	0	0	111.6
21	A	34	Very low	34.9	Very low	99 Å²	99	162 Å²	162	82%	0.818	83%	0.834	S	S	*	*			trans	-138.6	94.7	167.5	0	0	0	0	0	111.4
22	T	33.2	Very low	35.3	Very low	131 Å²	131	159.1 Å²	159.1	80%	0.804	83%	0.829	S	S	*	*			trans	-62.1	122.2	165.8	-42.5	0	0	0	0	110.2
23	K	34.6	Very low	35.7	Very low	202 Å²	202	156.1 Å²	156.1	88%	0.878	83%	0.828	S	S	*	*			trans	-113.3	96	162.7	-84.3	-172.4	177.1	179.1	0	109.9
24	R	33.9	Very low	36.2	Very low	235 Å²	235	155.8 Å²	155.8	89%	0.887	83%	0.825	S	S	*	*			trans	-69.1	118.9	156.9	-91.4	178.2	168.2	164.3	-3.8	107.8
25	K	35.7	Very low	36.7	Very low	209 Å²	209	154 Å²	154	91%	0.909	82%	0.822	S	S	*	*			trans	-81.6	115.1	164.2	-87.3	-173.2	172.7	-175.5	0	108.5
26	V	36.7	Very low	37.3	Very low	133 Å²	133	153.8 Å²	153.8	81%	0.806	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.4	136.4	165.7	175.2	0	0	0	0	107.5
27	F	37.3	Very low	38.1	Very low	187 Å²	187	156.4 Å²	156.4	82%	0.82	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.2	127.9	175.8	-105.1	-99.5	0	0	0	110.9
28	E	37.7	Very low	39.3	Very low	190 Å²	190	153 Å²	153	89%	0.888	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-92.3	125.4	157.2	-83.7	176.9	154.8	0	0	108.2
29	M	38.2	Very low	40.9	Very low	151 Å²	151	154.5 Å²	154.5	74%	0.744	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.2	117.6	164.9	-98	174.5	60.9	0	0	108.1	P31	M29-P31 WeakPolarHBondContact O-CD 3.38Å
30	D	43.4	Very low	43	Very low	167 Å²	167	156.1 Å²	156.1	89%	0.893	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.3	123.5	164	-109.2	-27.2	0	0	0	109.4
31	P	42.2	Very low	45.2	Very low	97 Å²	97	157.9 Å²	157.9	63%	0.63	81%	0.813	S	S	*	*			trans	-106.9	123.4	169.7	33.8	-20.3	0	0	0	110.2	M29	M29-P31 WeakPolarHBondContact O-CD 3.38Å
32	K	40.6	Very low	47.6	Very low	186 Å²	186	160.6 Å²	160.6	81%	0.809	81%	0.807	S	S	*	*			trans	123.5	102.5	144	-65.5	165.7	-177.9	-179.5	0	115.2	L34	K32-L34 HydrophobicContact CG-CD1 4.37Å
33	S	40.3	Very low	49.8	Very low	119 Å²	119	159.1 Å²	159.1	83%	0.832	80%	0.802	S	S	*	*				-138.2	105.2	123.6	62.8	0	0	0	0	108.8
34	L	43.2	Very low	51.8	Low	157 Å²	157	152.2 Å²	152.2	82%	0.822	78%	0.779	S	S	*	*			trans	-72.2	119.9	173.7	-76.6	101.7	0	0	0	110.1	K32	K32-L34 HydrophobicContact CG-CD1 4.37Å
35	T	45.1	Very low	54.1	Low	135 Å²	135	142.5 Å²	142.5	83%	0.828	75%	0.752	S	S	*	*			trans	-145.7	128.1	146.2	49.5	0	0	0	0	107.3
36	G	44.8	Very low	56.2	Low	74 Å²	74	138 Å²	138	76%	0.763	75%	0.747	S	S	*	*			trans	-56.2	132.2	-153.4	0	0	0	0	0	117.9
37	H	50	Low	58.4	Low	184 Å²	184	134.7 Å²	134.7	85%	0.852	73%	0.73	S	S	*	*			trans	-156.7	136.2	147.8	-91.4	-64.2	0	0	0	108.7	F39	H37-F39 VanDerWaalsContact C-N 3.33Å; H37-F39 PolarHBondContact O-N 3.24Å
38	E	57	Low	60.8	Low	178 Å²	178	130.7 Å²	130.7	83%	0.832	71%	0.713	S	S	*	*	S	Bend	trans	-75.3	38.9	-166.9	-68.1	-179.4	135.1	0	0	116.3
39	F	64.8	Low	63.2	Low	174 Å²	174	124.5 Å²	124.5	76%	0.763	70%	0.695	S	S	*	*			trans	-146	142.4	179.3	-49.9	-79.3	0	0	0	113.3	H37	H37-F39 VanDerWaalsContact C-N 3.33Å; H37-F39 PolarHBondContact O-N 3.24Å
40	F	78.9	Confident	65.6	Low	150 Å²	150	121 Å²	121	66%	0.658	68%	0.677	S	S	*	*			trans	-111.5	109.3	169.7	172.1	-105.9	0	0	0	108.7	F42	F40-F42 HydrophobicContact CD1-CB 4.03Å; F40-F42 HydrophobicContact CE1-CB 3.61Å; F40-F42 AromaticContact CE1-CD2 3.99Å; F40-F42 HydrophobicContact CE1-CD2 3.99Å; F40-F42 HydrophobicContact CE1-CG 4.25Å; F40-F42 HydrophobicContact CZ-CB 4.46Å; F40-F42 HydrophobicContact CZ-CD2 4.37Å; F40-F42 PolarHBondContact O-N 2.88Å
41	D	76.8	Confident	67.7	Low	158 Å²	158	117 Å²	117	85%	0.845	66%	0.655	S	S	*	*			trans	-80.2	100.1	174.4	-70.1	-30.4	0	0	0	109.6
42	F	84.4	Confident	70.1	Confident	155 Å²	155	115.7 Å²	115.7	68%	0.68	64%	0.642	S	S	*	*			trans	-83	130.2	172	178.3	-107.6	0	0	0	110.9	F40	F40-F42 HydrophobicContact CD1-CB 4.03Å; F40-F42 HydrophobicContact CE1-CB 3.61Å; F40-F42 AromaticContact CE1-CD2 3.99Å; F40-F42 HydrophobicContact CE1-CD2 3.99Å; F40-F42 HydrophobicContact CE1-CG 4.25Å; F40-F42 HydrophobicContact CZ-CB 4.46Å; F40-F42 HydrophobicContact CZ-CD2 4.37Å; F40-F42 PolarHBondContact O-N 2.88Å
43	S	80.9	Confident	72.5	Confident	101 Å²	101	110 Å²	110	71%	0.706	62%	0.62	S	S	*	*			trans	-126.1	121.8	166.1	179.1	0	0	0	0	109.1	G45	S43-G45 PolarHBondContact O-N 3.3Å; S43-G45 VanDerWaalsContact O-N 3.12Å
44	S	76.7	Confident	74.9	Confident	56 Å²	56	108 Å²	108	39%	0.392	60%	0.598	S	S	.	*			trans	-71.8	3.7	178.3	49.3	0	0	0	0	113.8	H48	S44-H48 WeakPolarHBondContact OG-CB 3.46Å
45	G	82	Confident	77.2	Confident	31 Å²	31	104.2 Å²	104.2	32%	0.32	58%	0.577	S	S	.	*			trans	78.3	179	-177.7	0	0	0	0	0	113.5	S43 S47 H48	S43-G45 PolarHBondContact O-N 3.3Å; S43-G45 VanDerWaalsContact O-N 3.12Å; G45-S47 PolarHBondContact O-N 3.24Å; G45-H48 PolarHBondContact O-N 3.36Å
46	S	78.9	Confident	79.5	Confident	115 Å²	115	101.2 Å²	101.2	80%	0.804	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-20.8	-175.9	51.5	0	0	0	0	114.3	H48 A49	S46-H48 PolarHBondContact O-N 2.97Å; S46-A49 PolarHBondContact O-N 3.24Å
47	S	83.1	Confident	81.8	Confident	63 Å²	63	99 Å²	99	44%	0.441	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-25.3	-179.7	49.4	0	0	0	0	113.5	G45 E50 N51	G45-S47 PolarHBondContact O-N 3.24Å; S47-E50 PolarHBondContact O-N 3.27Å; S47-N51 VanDerWaalsContact O-CG 3.26Å; S47-N51 PolarHBondContact O-N 2.97Å
48	H	88.4	Confident	83.8	Confident	103 Å²	103	96 Å²	96	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-43.3	179.9	-177.9	59.9	0	0	0	112.1	S44 G45 S46 N51 I52	S44-H48 WeakPolarHBondContact OG-CB 3.46Å; G45-H48 PolarHBondContact O-N 3.36Å; S46-H48 PolarHBondContact O-N 2.97Å; H48-N51 PolarHBondContact O-N 2.83Å; H48-I52 WeakPolarHBondContact NE2-CD1 3.26Å; H48-I52 WeakPolarHBondContact O-CG1 3.46Å; H48-I52 PolarHBondContact O-N 3.44Å; H48-I52 VanDerWaalsContact O-N 3.12Å
49	A	87.7	Confident	85.5	Confident	60 Å²	60	90.4 Å²	90.4	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-40	177	0	0	0	0	0	112.1	S46 I52 L53	S46-A49 PolarHBondContact O-N 3.24Å; A49-I52 PolarHBondContact O-N 2.92Å; A49-L53 PolarHBondContact O-N 3.34Å; A49-L53 VanDerWaalsContact O-N 3.09Å
50	E	87.8	Confident	86.9	Confident	79 Å²	79	84 Å²	84	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-61.6	-43.9	176.2	-171.5	177.8	-179.4	0	0	111.4	S47 I52 L53 Q54 K128	S47-E50 PolarHBondContact O-N 3.27Å; E50-I52 PolarHBondContact O-N 3.17Å; E50-L53 PolarHBondContact O-N 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.18Å; E50-Q54 PolarHBondContact O-N 3.45Å; E50-K128 IonicContact OE1-NZ 3.45Å; E50-K128 PolarHBondContact OE1-NZ 3.44Å
51	N	88.6	Confident	87.4	Confident	82 Å²	82	81.8 Å²	81.8	44%	0.439	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-40.5	177.4	-70.2	-12.7	0	0	0	112.2	S47 H48 Q54 I55	S47-N51 VanDerWaalsContact O-CG 3.26Å; S47-N51 PolarHBondContact O-N 2.97Å; H48-N51 PolarHBondContact O-N 2.83Å; N51-Q54 PolarHBondContact O-N 2.88Å; N51-I55 WeakPolarHBondContact O-CG1 3.36Å; N51-I55 PolarHBondContact O-N 3.07Å
52	I	91.7	Very high	88.2	Confident	70 Å²	70	78.1 Å²	78.1	36%	0.359	44%	0.435	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.8	-71.7	169.6	0	0	0	110.7	H48 A49 E50 Q54 I55 F56	H48-I52 WeakPolarHBondContact NE2-CD1 3.26Å; H48-I52 WeakPolarHBondContact O-CG1 3.46Å; H48-I52 PolarHBondContact O-N 3.44Å; H48-I52 VanDerWaalsContact O-N 3.12Å; A49-I52 PolarHBondContact O-N 2.92Å; E50-I52 PolarHBondContact O-N 3.17Å; I52-Q54 VanDerWaalsContact C-N 3.34Å; I52-Q54 PolarHBondContact O-N 3.33Å; I52-I55 PolarHBondContact O-N 3.5Å; I52-F56 HydrophobicContact CG2-CD2 3.6Å; I52-F56 HydrophobicContact CG2-CE2 3.45Å; I52-F56 VanDerWaalsContact CG2-CE2 3.45Å; I52-F56 VanDerWaalsContact O-CD2 3.27Å; I52-F56 WeakPolarHBondContact O-CD2 3.04Å; I52-F56 PolarHBondContact O-N 2.97Å
53	L	91.6	Very high	88.5	Confident	65 Å²	65	79 Å²	79	34%	0.34	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-39.4	178.7	-74.7	175.4	0	0	0	112.2	A49 E50 I55 F56 N57 Y125	A49-L53 PolarHBondContact O-N 3.34Å; A49-L53 VanDerWaalsContact O-N 3.09Å; E50-L53 PolarHBondContact O-N 3.31Å; L53-I55 PolarHBondContact O-N 2.98Å; L53-F56 PolarHBondContact O-N 3.23Å; L53-N57 PolarHBondContact O-N 2.94Å; L53-Y125 CarbonylContact C-O 3.59Å; L53-Y125 WeakPolarHBondContact CB-O 3.37Å; L53-Y125 VanDerWaalsContact O-O 3.12Å
54	Q	90.5	Very high	89	Confident	78 Å²	78	78.1 Å²	78.1	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-44.4	173.1	-72.1	174.4	10.9	0	0	111.9	E50 N51 I52 F56 N57 E58	E50-Q54 WeakPolarHBondContact O-CG 3.18Å; E50-Q54 PolarHBondContact O-N 3.45Å; N51-Q54 PolarHBondContact O-N 2.88Å; I52-Q54 VanDerWaalsContact C-N 3.34Å; I52-Q54 PolarHBondContact O-N 3.33Å; Q54-F56 PolarHBondContact O-N 3.03Å; Q54-N57 VanDerWaalsContact O-CB 3.27Å; Q54-N57 WeakPolarHBondContact O-CB 3.27Å; Q54-N57 PolarHBondContact O-N 3.09Å; Q54-N57 VanDerWaalsContact O-N 3.1Å; Q54-E58 PolarHBondContact O-N 3.42Å
55	I	91.7	Very high	89.6	Confident	77 Å²	77	82.6 Å²	82.6	40%	0.395	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-41.2	175.8	-65.7	166.9	0	0	0	111.1	N51 I52 L53 N57 E58 F59	N51-I55 WeakPolarHBondContact O-CG1 3.36Å; N51-I55 PolarHBondContact O-N 3.07Å; I52-I55 PolarHBondContact O-N 3.5Å; L53-I55 PolarHBondContact O-N 2.98Å; I55-N57 PolarHBondContact O-N 3.23Å; I55-E58 WeakPolarHBondContact O-CB 3.38Å; I55-E58 PolarHBondContact O-N 3.39Å; I55-F59 HydrophobicContact CG2-CD1 4.32Å; I55-F59 HydrophobicContact CG2-CD2 4.29Å; I55-F59 HydrophobicContact CG2-CE1 3.78Å; I55-F59 HydrophobicContact CG2-CE2 3.75Å; I55-F59 HydrophobicContact CG2-CZ 3.47Å; I55-F59 VanDerWaalsContact CG2-CZ 3.47Å; I55-F59 WeakPolarHBondContact O-CG 3.49Å; I55-F59 PolarHBondContact O-N 3.29Å
56	F	93.3	Very high	90.1	Very high	73 Å²	73	82.8 Å²	82.8	32%	0.32	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-31.6	173.9	-84	-64.7	0	0	0	112.7	I52 L53 Q54 F59 R60 V83 Y125	I52-F56 HydrophobicContact CG2-CD2 3.6Å; I52-F56 HydrophobicContact CG2-CE2 3.45Å; I52-F56 VanDerWaalsContact CG2-CE2 3.45Å; I52-F56 VanDerWaalsContact O-CD2 3.27Å; I52-F56 WeakPolarHBondContact O-CD2 3.04Å; I52-F56 PolarHBondContact O-N 2.97Å; L53-F56 PolarHBondContact O-N 3.23Å; Q54-F56 PolarHBondContact O-N 3.03Å; F56-F59 HydrophobicContact CD1-CD2 4.13Å; F56-R60 WeakPolarHBondContact O-CB 3.49Å; F56-R60 PolarHBondContact O-N 2.84Å; F56-V83 HydrophobicContact CB-CG2 4.47Å; F56-V83 HydrophobicContact CD1-CG2 4.23Å; F56-V83 HydrophobicContact CG-CG2 4.19Å; F56-Y125 HydrophobicContact CB-CD1 3.98Å; F56-Y125 HydrophobicContact CB-CE1 4.05Å; F56-Y125 WeakPolarHBondContact O-CE1 3.45Å
57	N	93.1	Very high	90.7	Very high	28 Å²	28	80.6 Å²	80.6	15%	0.15	41%	0.408	C	S	.	.	H	α-helix	trans	-66.8	-44.3	173.3	-164.7	69.6	0	0	0	111.1	L53 Q54 I55 F59 R60 D61 Y125	L53-N57 PolarHBondContact O-N 2.94Å; Q54-N57 VanDerWaalsContact O-CB 3.27Å; Q54-N57 WeakPolarHBondContact O-CB 3.27Å; Q54-N57 PolarHBondContact O-N 3.09Å; Q54-N57 VanDerWaalsContact O-N 3.1Å; I55-N57 PolarHBondContact O-N 3.23Å; N57-F59 VanDerWaalsContact C-N 3.32Å; N57-F59 PolarHBondContact O-N 3.43Å; N57-R60 WeakPolarHBondContact O-CB 3.37Å; N57-R60 PolarHBondContact O-N 2.78Å; N57-R60 PolarHBondContact OD1-NH1 2.78Å; N57-R60 PolarHBondContact OD1-NH2 2.91Å; N57-D61 PolarHBondContact ND2-OD2 2.95Å; N57-D61 VanDerWaalsContact O-CG 3.29Å; N57-D61 PolarHBondContact O-N 2.86Å; N57-Y125 HydrophobicContact CB-CD1 4.27Å; N57-Y125 HydrophobicContact CB-CG 4.48Å; N57-Y125 VanDerWaalsContact OD1-CB 3.26Å; N57-Y125 WeakPolarHBondContact OD1-CB 3.47Å
58	E	92.4	Very high	91.2	Very high	119 Å²	119	77.7 Å²	77.7	56%	0.556	39%	0.387	S	S	*	.	H	α-helix	trans	-61	-39.9	174.7	-67	174.9	-174.7	0	0	112.1	Q54 I55 D61 S62	Q54-E58 PolarHBondContact O-N 3.42Å; I55-E58 WeakPolarHBondContact O-CB 3.38Å; I55-E58 PolarHBondContact O-N 3.39Å; E58-D61 PolarHBondContact O-N 2.7Å; E58-S62 WeakPolarHBondContact O-CB 3.42Å; E58-S62 PolarHBondContact O-N 3.05Å; E58-S62 PolarHBondContact O-OG 3.03Å
59	F	93.4	Very high	91.4	Very high	62 Å²	62	74.6 Å²	74.6	27%	0.272	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-43.1	173.7	-69.1	-11.2	0	0	0	111.8	I55 F56 N57 S62 R63 L64 F65	I55-F59 HydrophobicContact CG2-CD1 4.32Å; I55-F59 HydrophobicContact CG2-CD2 4.29Å; I55-F59 HydrophobicContact CG2-CE1 3.78Å; I55-F59 HydrophobicContact CG2-CE2 3.75Å; I55-F59 HydrophobicContact CG2-CZ 3.47Å; I55-F59 VanDerWaalsContact CG2-CZ 3.47Å; I55-F59 WeakPolarHBondContact O-CG 3.49Å; I55-F59 PolarHBondContact O-N 3.29Å; F56-F59 HydrophobicContact CD1-CD2 4.13Å; N57-F59 VanDerWaalsContact C-N 3.32Å; N57-F59 PolarHBondContact O-N 3.43Å; F59-S62 CarbonylContact O-C 3.47Å; F59-S62 PolarHBondContact O-N 3.48Å; F59-R63 PolarHBondContact O-N 3Å; F59-L64 HydrophobicContact CB-CB 4.2Å; F59-L64 HydrophobicContact CD1-CB 4.45Å; F59-L64 HydrophobicContact CD1-CD1 4.23Å; F59-L64 HydrophobicContact CG-CB 4.46Å; F59-L64 PolarHBondContact O-N 3.12Å; F59-F65 AromaticContact CD2-CD2 3.86Å; F59-F65 HydrophobicContact CD2-CD2 3.86Å; F59-F65 HydrophobicContact CD2-CE2 4.28Å; F59-F65 HydrophobicContact CE2-CD2 4.1Å; F59-F65 HydrophobicContact CE2-CE2 4.11Å; F59-F65 HydrophobicContact CG-CD2 4.22Å; F59-F65 HydrophobicContact CZ-CE2 4.28Å
60	R	93	Very high	91.7	Very high	40 Å²	40	71.7 Å²	71.7	15%	0.151	35%	0.35	C	S	.	.	H	α-helix	trans	-59.9	-48.9	176.7	-170.9	-164.8	68.2	-161.6	-0.5	111.1	F56 N57 S62 R63 P78 L121 Y125	F56-R60 WeakPolarHBondContact O-CB 3.49Å; F56-R60 PolarHBondContact O-N 2.84Å; N57-R60 WeakPolarHBondContact O-CB 3.37Å; N57-R60 PolarHBondContact O-N 2.78Å; N57-R60 PolarHBondContact OD1-NH1 2.78Å; N57-R60 PolarHBondContact OD1-NH2 2.91Å; R60-S62 PolarHBondContact O-N 3.24Å; R60-R63 PolarHBondContact O-N 3.48Å; R60-P78 WeakPolarHBondContact CG-O 2.99Å; R60-L121 PolarHBondContact NH1-O 3.16Å; R60-Y125 HydrophobicContact CB-CE1 4.07Å; R60-Y125 HydrophobicContact CG-CE1 4.48Å; R60-Y125 VanDerWaalsContact NH1-CD2 3.29Å
61	D	90.6	Very high	92	Very high	103 Å²	103	68.6 Å²	68.6	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-65.1	-31.5	-178.5	-63.5	-14.7	0	0	0	111.5	N57 E58	N57-D61 PolarHBondContact ND2-OD2 2.95Å; N57-D61 VanDerWaalsContact O-CG 3.29Å; N57-D61 PolarHBondContact O-N 2.86Å; E58-D61 PolarHBondContact O-N 2.7Å
62	S	91.6	Very high	92.1	Very high	80 Å²	80	64.7 Å²	64.7	56%	0.559	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.3	174.1	-53.5	0	0	0	0	114.3	E58 F59 R60 L64	E58-S62 WeakPolarHBondContact O-CB 3.42Å; E58-S62 PolarHBondContact O-N 3.05Å; E58-S62 PolarHBondContact O-OG 3.03Å; F59-S62 CarbonylContact O-C 3.47Å; F59-S62 PolarHBondContact O-N 3.48Å; R60-S62 PolarHBondContact O-N 3.24Å; S62-L64 PolarHBondContact O-N 3.1Å
63	R	92.2	Very high	92.1	Very high	174 Å²	174	67.7 Å²	67.7	66%	0.657	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.9	-172.9	-52.3	-177.5	-177.8	-166.4	-3.4	113.9	F59 R60 P78	F59-R63 PolarHBondContact O-N 3Å; R60-R63 PolarHBondContact O-N 3.48Å; R63-P78 HydrophobicContact CG-CB 4.32Å; R63-P78 HydrophobicContact CG-CG 4.17Å
64	L	89.9	Confident	91.9	Very high	82 Å²	82	67.6 Å²	67.6	43%	0.429	34%	0.343	S	S	.	.			trans	-86.7	130.3	175.7	-67.6	172.4	0	0	0	109.2	F59 S62 T66 H80	F59-L64 HydrophobicContact CB-CB 4.2Å; F59-L64 HydrophobicContact CD1-CB 4.45Å; F59-L64 HydrophobicContact CD1-CD1 4.23Å; F59-L64 HydrophobicContact CG-CB 4.46Å; F59-L64 PolarHBondContact O-N 3.12Å; S62-L64 PolarHBondContact O-N 3.1Å; L64-T66 PolarHBondContact O-N 3.48Å; L64-H80 PolarHBondContact O-NE2 3.37Å; L64-H80 VanDerWaalsContact O-NE2 3.09Å
65	F	91.1	Very high	92	Very high	151 Å²	151	68 Å²	68	66%	0.662	34%	0.344	S	S	*	.	S	Bend	trans	60.3	9.8	177.3	-45.2	-65	0	0	0	116.2	F59 D67 H80	F59-F65 AromaticContact CD2-CD2 3.86Å; F59-F65 HydrophobicContact CD2-CD2 3.86Å; F59-F65 HydrophobicContact CD2-CE2 4.28Å; F59-F65 HydrophobicContact CE2-CD2 4.1Å; F59-F65 HydrophobicContact CE2-CE2 4.11Å; F59-F65 HydrophobicContact CG-CD2 4.22Å; F59-F65 HydrophobicContact CZ-CE2 4.28Å; F65-D67 PolarHBondContact O-N 3.01Å; F65-H80 PolarHBondContact O-CD2 3.3Å
66	T	91.5	Very high	92.1	Very high	35 Å²	35	69.6 Å²	69.6	22%	0.215	35%	0.35	C	S	.	.			trans	-67.3	126	174.2	56	0	0	0	0	110.2	L64 P78 C79	L64-T66 PolarHBondContact O-N 3.48Å; T66-P78 HydrophobicContact CG2-CB 3.93Å; T66-C79 CarbonylContact C-O 3.5Å; T66-C79 VanDerWaalsContact CA-O 3.27Å; T66-C79 WeakPolarHBondContact CA-O 3.39Å; T66-C79 WeakPolarHBondContact CB-O 3.36Å
67	D	92.3	Very high	92.2	Very high	69 Å²	69	67 Å²	67	37%	0.369	34%	0.338	S	S	.	.			trans	-115.7	1.2	-174	60.8	-4.8	0	0	0	112.8	F65 C79 H80 R81	F65-D67 PolarHBondContact O-N 3.01Å; D67-C79 PolarHBondContact N-O 3.24Å; D67-H80 VanDerWaalsContact OD1-CA 3.24Å; D67-H80 WeakPolarHBondContact OD1-CA 3.46Å; D67-R81 PolarHBondContact O-NE 3.3Å; D67-R81 WeakPolarHBondContact OD1-CG 3.45Å; D67-R81 PolarHBondContact OD1-N 3.12Å; D67-R81 WeakPolarHBondContact OD2-CB 3.36Å
68	V	92.8	Very high	92.3	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	148.7	173.1	66.9	0	0	0	0	110.7	I70 C79 R81 L84 F95 M105 V107	V68-I70 HydrophobicContact CG2-CD1 3.96Å; V68-C79 HydrophobicContact CG1-CB 3.92Å; V68-C79 PolarHBondContact N-O 3.25Å; V68-C79 PolarHBondContact O-N 2.93Å; V68-C79 VanDerWaalsContact O-O 3.13Å; V68-R81 HydrophobicContact CB-CG 3.72Å; V68-R81 HydrophobicContact CG1-CG 3.62Å; V68-L84 HydrophobicContact CG1-CD1 4.14Å; V68-F95 HydrophobicContact CG1-CZ 4.28Å; V68-F95 HydrophobicContact CG2-CE1 4.14Å; V68-F95 HydrophobicContact CG2-CZ 4.12Å; V68-M105 CarbonylContact C-O 3.55Å; V68-M105 WeakPolarHBondContact CA-O 3.27Å; V68-V107 HydrophobicContact CG2-CB 4.48Å; V68-V107 HydrophobicContact CG2-CG2 3.89Å
69	I	93.5	Very high	92.4	Very high	38 Å²	38	61 Å²	61	20%	0.195	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115	173.2	-58.5	174.8	0	0	0	106.4	E76 M105 L106 V107	I69-E76 HydrophobicContact CG2-CB 3.68Å; I69-E76 HydrophobicContact CG2-CG 3.98Å; I69-M105 HydrophobicContact CD1-CG 4.48Å; I69-M105 PolarHBondContact N-O 3.23Å; I69-L106 HydrophobicContact CB-CD1 4.18Å; I69-L106 HydrophobicContact CG2-CD1 3.86Å; I69-L106 CarbonylContact O-C 3.5Å; I69-L106 WeakPolarHBondContact O-CA 3.34Å; I69-V107 PolarHBondContact O-N 2.91Å
70	I	93.1	Very high	92.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.4	173.4	-53.4	-58.2	0	0	0	108.2	V68 V72 F77 L84 F91 F95 V107 I109 M117	V68-I70 HydrophobicContact CG2-CD1 3.96Å; I70-V72 HydrophobicContact CG2-CG2 4.02Å; I70-F77 HydrophobicContact CB-CB 4.44Å; I70-F77 PolarHBondContact N-O 3.34Å; I70-F77 WeakPolarHBondContact O-CD2 3.42Å; I70-F77 PolarHBondContact O-N 3.01Å; I70-L84 HydrophobicContact CD1-CD1 4.37Å; I70-L84 HydrophobicContact CG1-CD1 4.25Å; I70-F91 HydrophobicContact CD1-CE1 4.1Å; I70-F95 HydrophobicContact CD1-CZ 4.39Å; I70-V107 CarbonylContact C-O 3.53Å; I70-V107 WeakPolarHBondContact CA-O 3.38Å; I70-V107 HydrophobicContact CD1-CB 3.98Å; I70-V107 HydrophobicContact CD1-CG1 4.43Å; I70-I109 HydrophobicContact CG2-CD1 3.52Å; I70-I109 HydrophobicContact CG2-CG1 3.9Å; I70-M117 HydrophobicContact CB-CE 3.97Å; I70-M117 HydrophobicContact CG1-CE 4.04Å; I70-M117 HydrophobicContact CG2-CE 3.65Å; I70-M117 HydrophobicContact CG2-SD 4.45Å
71	C	93.5	Very high	92.4	Very high	13 Å²	13	58.8 Å²	58.8	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.3	175.8	-171.1	0	0	0	0	109.7	K75 L106 V107 E108 I109	C71-K75 WeakPolarHBondContact CA-O 3.46Å; C71-L106 HydrophobicContact CB-CD1 4.21Å; C71-L106 HydrophobicContact CB-CG 4.41Å; C71-V107 PolarHBondContact N-O 3.34Å; C71-E108 WeakPolarHBondContact O-CA 3.27Å; C71-I109 PolarHBondContact O-N 3.17Å
72	V	92.3	Very high	92.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123	176.6	-177.5	0	0	0	0	108.1	I70 G74 K75 F77 I109 I112 M117	I70-V72 HydrophobicContact CG2-CG2 4.02Å; V72-G74 PolarHBondContact O-N 2.95Å; V72-G74 VanDerWaalsContact O-N 3.12Å; V72-K75 PolarHBondContact N-O 3.17Å; V72-K75 WeakPolarHBondContact O-CB 3.49Å; V72-K75 PolarHBondContact O-N 3.19Å; V72-F77 HydrophobicContact CB-CE2 4.24Å; V72-I109 HydrophobicContact CG2-CB 4.24Å; V72-I112 HydrophobicContact CG1-CB 4.18Å; V72-I112 WeakPolarHBondContact CG1-O 3.48Å; V72-M117 HydrophobicContact CB-CB 4.46Å; V72-M117 HydrophobicContact CG2-CB 4.09Å; V72-M117 HydrophobicContact CG2-CG 3.86Å; V72-M117 HydrophobicContact CG2-SD 4.34Å
73	E	90.2	Very high	92.6	Very high	133 Å²	133	54.2 Å²	54.2	62%	0.621	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	35.2	-176.3	-60.2	-174.2	117.8	0	0	113.6	K75 L113 A114	E73-K75 PolarHBondContact O-N 2.63Å; E73-L113 WeakPolarHBondContact OE2-CA 3.44Å; E73-A114 HydrophobicContact CB-CB 4.46Å; E73-A114 PolarHBondContact OE2-N 3.35Å
74	G	88.5	Confident	92.6	Very high	63 Å²	63	45.9 Å²	45.9	65%	0.649	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	-3	-177.3	0	0	0	0	0	115.2	V72	V72-G74 PolarHBondContact O-N 2.95Å; V72-G74 VanDerWaalsContact O-N 3.12Å
75	K	92.9	Very high	92.8	Very high	88 Å²	88	43.1 Å²	43.1	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.8	172.4	-171.7	172.1	170.9	-172.1	0	109.8	C71 V72 E73 F77 A114 E118	C71-K75 WeakPolarHBondContact CA-O 3.46Å; V72-K75 PolarHBondContact N-O 3.17Å; V72-K75 WeakPolarHBondContact O-CB 3.49Å; V72-K75 PolarHBondContact O-N 3.19Å; E73-K75 PolarHBondContact O-N 2.63Å; K75-F77 HydrophobicContact CB-CE2 3.94Å; K75-F77 HydrophobicContact CB-CZ 4.23Å; K75-F77 HydrophobicContact CD-CE1 4.1Å; K75-F77 HydrophobicContact CD-CE2 4.12Å; K75-F77 HydrophobicContact CD-CZ 3.52Å; K75-F77 HydrophobicContact CG-CE1 4.3Å; K75-F77 HydrophobicContact CG-CE2 3.81Å; K75-F77 HydrophobicContact CG-CZ 3.7Å; K75-F77 WeakPolarHBondContact O-CD2 3.35Å; K75-F77 WeakPolarHBondContact O-CE2 3.47Å; K75-A114 HydrophobicContact CB-CB 4.27Å; K75-A114 HydrophobicContact CD-CB 4.16Å; K75-E118 IonicContact NZ-OE2 3.19Å; K75-E118 PolarHBondContact NZ-OE2 3.37Å
76	E	93.9	Very high	92.8	Very high	110 Å²	110	40.2 Å²	40.2	51%	0.514	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.8	-178.9	-69.4	-177.9	-179.7	0	0	111.9	I69 L106	I69-E76 HydrophobicContact CG2-CB 3.68Å; I69-E76 HydrophobicContact CG2-CG 3.98Å; E76-L106 HydrophobicContact CG-CD1 4.4Å
77	F	94.2	Very high	92.9	Very high	18 Å²	18	40.8 Å²	40.8	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	96.1	179.9	-60.4	-87.9	0	0	0	110.7	I70 V72 K75 C79 A114 M117 E118 L121	I70-F77 HydrophobicContact CB-CB 4.44Å; I70-F77 PolarHBondContact N-O 3.34Å; I70-F77 WeakPolarHBondContact O-CD2 3.42Å; I70-F77 PolarHBondContact O-N 3.01Å; V72-F77 HydrophobicContact CB-CE2 4.24Å; K75-F77 HydrophobicContact CB-CE2 3.94Å; K75-F77 HydrophobicContact CB-CZ 4.23Å; K75-F77 HydrophobicContact CD-CE1 4.1Å; K75-F77 HydrophobicContact CD-CE2 4.12Å; K75-F77 HydrophobicContact CD-CZ 3.52Å; K75-F77 HydrophobicContact CG-CE1 4.3Å; K75-F77 HydrophobicContact CG-CE2 3.81Å; K75-F77 HydrophobicContact CG-CZ 3.7Å; K75-F77 WeakPolarHBondContact O-CD2 3.35Å; K75-F77 WeakPolarHBondContact O-CE2 3.47Å; F77-C79 PolarHBondContact O-N 3.25Å; F77-C79 PolarHBondContact O-SG 3.18Å; F77-A114 HydrophobicContact CZ-CB 4.48Å; F77-A114 WeakPolarHBondContact CZ-O 3.4Å; F77-M117 HydrophobicContact CD2-CG 4.05Å; F77-M117 HydrophobicContact CE2-CB 4.17Å; F77-M117 HydrophobicContact CE2-CG 4.05Å; F77-M117 HydrophobicContact CG-CG 4.46Å; F77-M117 HydrophobicContact CZ-CB 4.29Å; F77-M117 HydrophobicContact CZ-CG 4.45Å; F77-E118 HydrophobicContact CE1-CB 4.09Å; F77-L121 HydrophobicContact CB-CD1 3.59Å; F77-L121 HydrophobicContact CD1-CD1 3.73Å; F77-L121 HydrophobicContact CG-CD1 3.81Å
78	P	94.6	Very high	92.9	Very high	20 Å²	20	37.6 Å²	37.6	13%	0.13	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.2	172.6	-21.5	33.7	0	0	0	111	R60 R63 T66	R60-P78 WeakPolarHBondContact CG-O 2.99Å; R63-P78 HydrophobicContact CG-CB 4.32Å; R63-P78 HydrophobicContact CG-CG 4.17Å; T66-P78 HydrophobicContact CG2-CB 3.93Å
79	C	94.8	Very high	92.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.8	-172.1	-67.8	0	0	0	0	111.8	T66 D67 V68 F77 L84 L121	T66-C79 CarbonylContact C-O 3.5Å; T66-C79 VanDerWaalsContact CA-O 3.27Å; T66-C79 WeakPolarHBondContact CA-O 3.39Å; T66-C79 WeakPolarHBondContact CB-O 3.36Å; D67-C79 PolarHBondContact N-O 3.24Å; V68-C79 HydrophobicContact CG1-CB 3.92Å; V68-C79 PolarHBondContact N-O 3.25Å; V68-C79 PolarHBondContact O-N 2.93Å; V68-C79 VanDerWaalsContact O-O 3.13Å; F77-C79 PolarHBondContact O-N 3.25Å; F77-C79 PolarHBondContact O-SG 3.18Å; C79-L84 HydrophobicContact CB-CD1 3.83Å; C79-L84 HydrophobicContact CB-CG 4.39Å; C79-L121 VanDerWaalsContact SG-CD2 3.52Å
80	H	94.5	Very high	92.7	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.042	25%	0.251	C	S	.	.			trans	-106.5	120.9	171.7	-50.5	87.8	0	0	0	109.8	L64 F65 D67 A82 V83 L84 Y125	L64-H80 PolarHBondContact O-NE2 3.37Å; L64-H80 VanDerWaalsContact O-NE2 3.09Å; F65-H80 PolarHBondContact O-CD2 3.3Å; D67-H80 VanDerWaalsContact OD1-CA 3.24Å; D67-H80 WeakPolarHBondContact OD1-CA 3.46Å; H80-A82 PolarHBondContact O-N 3.2Å; H80-V83 HydrophobicContact CB-CB 4.2Å; H80-V83 HydrophobicContact CB-CG2 3.81Å; H80-V83 PolarHBondContact O-N 2.98Å; H80-V83 VanDerWaalsContact O-N 3.15Å; H80-L84 PolarHBondContact O-N 2.91Å; H80-L84 VanDerWaalsContact O-N 3.1Å; H80-Y125 PolarHBondContact N-OH 3.44Å; H80-Y125 AromaticContact ND1-CE1 3.5Å; H80-Y125 WeakPolarHBondContact ND1-CE1 3.45Å; H80-Y125 AromaticContact ND1-CZ 3.64Å; H80-Y125 PolarHBondContact ND1-OH 3.44Å
81	R	92.4	Very high	92.6	Very high	47 Å²	47	41.7 Å²	41.7	18%	0.177	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-38	177.5	-70	169.9	168.2	-141.9	-4.5	111.8	D67 V68 S85 F95 E101 S102 E104	D67-R81 PolarHBondContact O-NE 3.3Å; D67-R81 WeakPolarHBondContact OD1-CG 3.45Å; D67-R81 PolarHBondContact OD1-N 3.12Å; D67-R81 WeakPolarHBondContact OD2-CB 3.36Å; V68-R81 HydrophobicContact CB-CG 3.72Å; V68-R81 HydrophobicContact CG1-CG 3.62Å; R81-S85 VanDerWaalsContact O-CB 3.23Å; R81-S85 WeakPolarHBondContact O-CB 3.47Å; R81-S85 PolarHBondContact O-N 3.42Å; R81-S85 PolarHBondContact O-OG 2.75Å; R81-F95 HydrophobicContact CB-CD2 3.95Å; R81-F95 HydrophobicContact CB-CE2 4.21Å; R81-F95 HydrophobicContact CB-CG 4.31Å; R81-F95 HydrophobicContact CG-CD1 4.21Å; R81-F95 HydrophobicContact CG-CD2 4.04Å; R81-F95 HydrophobicContact CG-CE1 4.22Å; R81-F95 HydrophobicContact CG-CE2 4.04Å; R81-F95 HydrophobicContact CG-CG 4.13Å; R81-F95 HydrophobicContact CG-CZ 4.14Å; R81-E101 PolarHBondContact NH2-O 3.27Å; R81-E101 VanDerWaalsContact NH2-O 3.12Å; R81-S102 PolarHBondContact NH1-O 3.12Å; R81-S102 PolarHBondContact NH2-O 2.97Å; R81-S102 VanDerWaalsContact NH2-O 3.15Å; R81-E104 PolarHBondContact NH2-O 2.94Å
82	A	92.2	Very high	92.4	Very high	73 Å²	73	48.8 Å²	48.8	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-62.2	-44.4	178.7	0	0	0	0	0	112.2	H80 A86	H80-A82 PolarHBondContact O-N 3.2Å; A82-A86 VanDerWaalsContact O-CB 3.27Å; A82-A86 WeakPolarHBondContact O-CB 3.03Å; A82-A86 PolarHBondContact O-N 2.79Å
83	V	93.9	Very high	92.2	Very high	14 Å²	14	51 Å²	51	9%	0.085	29%	0.294	C	S	.	.	H	α-helix	trans	-69.7	-44.2	-179.8	-175.6	0	0	0	0	110.3	F56 H80 A86 C87 V124 Y125	F56-V83 HydrophobicContact CB-CG2 4.47Å; F56-V83 HydrophobicContact CD1-CG2 4.23Å; F56-V83 HydrophobicContact CG-CG2 4.19Å; H80-V83 HydrophobicContact CB-CB 4.2Å; H80-V83 HydrophobicContact CB-CG2 3.81Å; H80-V83 PolarHBondContact O-N 2.98Å; H80-V83 VanDerWaalsContact O-N 3.15Å; V83-A86 PolarHBondContact O-N 3.49Å; V83-C87 PolarHBondContact O-N 3.12Å; V83-V124 HydrophobicContact CG1-CG1 3.66Å; V83-Y125 HydrophobicContact CB-CE1 4.2Å; V83-Y125 HydrophobicContact CG1-CD1 4.16Å; V83-Y125 HydrophobicContact CG1-CD2 4.31Å; V83-Y125 HydrophobicContact CG1-CE1 3.93Å; V83-Y125 HydrophobicContact CG1-CE2 4.09Å; V83-Y125 HydrophobicContact CG1-CG 4.37Å; V83-Y125 HydrophobicContact CG2-CE1 4.12Å
84	L	93.7	Very high	92.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-47.1	175.7	-69.6	175.7	0	0	0	111.9	V68 I70 C79 H80 A86 C87 S88 F91 F95 F120 L121 V124	V68-L84 HydrophobicContact CG1-CD1 4.14Å; I70-L84 HydrophobicContact CD1-CD1 4.37Å; I70-L84 HydrophobicContact CG1-CD1 4.25Å; C79-L84 HydrophobicContact CB-CD1 3.83Å; C79-L84 HydrophobicContact CB-CG 4.39Å; H80-L84 PolarHBondContact O-N 2.91Å; H80-L84 VanDerWaalsContact O-N 3.1Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.39Å; L84-C87 PolarHBondContact O-N 3.05Å; L84-S88 PolarHBondContact O-N 3.34Å; L84-F91 HydrophobicContact CB-CB 3.89Å; L84-F91 HydrophobicContact CB-CD1 4.41Å; L84-F91 HydrophobicContact CB-CD2 4.23Å; L84-F91 HydrophobicContact CB-CG 3.92Å; L84-F91 HydrophobicContact CD1-CD1 4.26Å; L84-F91 HydrophobicContact CD1-CE1 4.37Å; L84-F91 HydrophobicContact CD2-CD2 4.33Å; L84-F91 HydrophobicContact CD2-CE2 4.34Å; L84-F95 HydrophobicContact CB-CE2 4.1Å; L84-F95 HydrophobicContact CD1-CE2 3.99Å; L84-F95 HydrophobicContact CD1-CZ 4.29Å; L84-F120 HydrophobicContact CD2-CE1 4.05Å; L84-L121 HydrophobicContact CD2-CD2 3.76Å; L84-V124 HydrophobicContact CD2-CG1 4.38Å
85	S	92.7	Very high	92.1	Very high	23 Å²	23	43.8 Å²	43.8	16%	0.161	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-30.3	179.1	-57.1	0	0	0	0	113.1	R81 F95	R81-S85 VanDerWaalsContact O-CB 3.23Å; R81-S85 WeakPolarHBondContact O-CB 3.47Å; R81-S85 PolarHBondContact O-N 3.42Å; R81-S85 PolarHBondContact O-OG 2.75Å; S85-F95 WeakPolarHBondContact OG-CD2 3.34Å
86	A	92.4	Very high	91.6	Very high	90 Å²	90	43.9 Å²	43.9	74%	0.744	26%	0.255	S	S	*	.	H	α-helix	trans	-70.3	-36.7	176.8	0	0	0	0	0	111.7	A82 V83 L84	A82-A86 VanDerWaalsContact O-CB 3.27Å; A82-A86 WeakPolarHBondContact O-CB 3.03Å; A82-A86 PolarHBondContact O-N 2.79Å; V83-A86 PolarHBondContact O-N 3.49Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.39Å
87	C	91.9	Very high	90.6	Very high	48 Å²	48	42.4 Å²	42.4	32%	0.324	25%	0.25	S	S	.	.	H	α-helix	trans	-88.9	-27.6	-177.4	-167.3	0	0	0	0	113.8	V83 L84 V124	V83-C87 PolarHBondContact O-N 3.12Å; L84-C87 PolarHBondContact O-N 3.05Å; C87-V124 HydrophobicContact CB-CG1 4Å; C87-V124 HydrophobicContact CB-CG2 4.12Å
88	S	92.9	Very high	89.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	28%	0.283	C	S	.	.			trans	-133.3	124.4	-171.5	170.8	0	0	0	0	112	L84 Y90 F91 R92 F146	L84-S88 PolarHBondContact O-N 3.34Å; S88-Y90 PolarHBondContact O-N 3.46Å; S88-Y90 WeakPolarHBondContact OG-CB 3.27Å; S88-Y90 PolarHBondContact OG-N 2.86Å; S88-F91 PolarHBondContact O-N 3.05Å; S88-F91 PolarHBondContact OG-N 2.86Å; S88-R92 WeakPolarHBondContact O-CB 3.37Å; S88-R92 PolarHBondContact O-N 3.44Å; S88-F146 WeakPolarHBondContact CB-O 3.37Å; S88-F146 PolarHBondContact OG-O 3.27Å
89	S	90.9	Very high	88.1	Confident	57 Å²	57	52.6 Å²	52.6	40%	0.399	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-30	172.6	43.4	0	0	0	0	112.7	R92 A93 Q147	S89-R92 PolarHBondContact O-N 2.94Å; S89-A93 WeakPolarHBondContact O-CB 3.5Å; S89-A93 PolarHBondContact O-N 3.39Å; S89-Q147 VanDerWaalsContact OG-CB 3.29Å; S89-Q147 WeakPolarHBondContact OG-CB 3.43Å; S89-Q147 PolarHBondContact OG-OE1 2.94Å
90	Y	90.8	Very high	86.8	Confident	69 Å²	69	61.3 Å²	61.3	27%	0.271	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-52.9	174.5	174.3	-93.3	0	0	0	111	S88 R92 A93 M94 F146	S88-Y90 PolarHBondContact O-N 3.46Å; S88-Y90 WeakPolarHBondContact OG-CB 3.27Å; S88-Y90 PolarHBondContact OG-N 2.86Å; Y90-R92 VanDerWaalsContact C-N 3.34Å; Y90-R92 PolarHBondContact O-N 3.21Å; Y90-A93 PolarHBondContact O-N 3.12Å; Y90-M94 HydrophobicContact CD1-CE 4.32Å; Y90-M94 HydrophobicContact CE1-CE 3.33Å; Y90-M94 VanDerWaalsContact CZ-CE 3.5Å; Y90-M94 WeakPolarHBondContact O-CB 3.24Å; Y90-M94 PolarHBondContact O-N 2.93Å; Y90-M94 VanDerWaalsContact OH-CE 3.25Å; Y90-M94 WeakPolarHBondContact OH-CE 3.32Å; Y90-F146 AromaticContact CD1-CD1 3.53Å; Y90-F146 HydrophobicContact CD1-CD1 3.53Å; Y90-F146 AromaticContact CD1-CE1 3.93Å; Y90-F146 HydrophobicContact CD1-CE1 3.93Å; Y90-F146 AromaticContact CE1-CD1 3.83Å; Y90-F146 HydrophobicContact CE1-CD1 3.83Å; Y90-F146 AromaticContact CE1-CE1 3.75Å; Y90-F146 HydrophobicContact CE1-CE1 3.75Å; Y90-F146 HydrophobicContact CG-CD1 4.1Å
91	F	91.3	Very high	85.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.5	-35	177.6	-75.3	-68.4	0	0	0	112.4	I70 L84 S88 A93 M94 F95 I109 M117 F120 F146	I70-F91 HydrophobicContact CD1-CE1 4.1Å; L84-F91 HydrophobicContact CB-CB 3.89Å; L84-F91 HydrophobicContact CB-CD1 4.41Å; L84-F91 HydrophobicContact CB-CD2 4.23Å; L84-F91 HydrophobicContact CB-CG 3.92Å; L84-F91 HydrophobicContact CD1-CD1 4.26Å; L84-F91 HydrophobicContact CD1-CE1 4.37Å; L84-F91 HydrophobicContact CD2-CD2 4.33Å; L84-F91 HydrophobicContact CD2-CE2 4.34Å; S88-F91 PolarHBondContact O-N 3.05Å; S88-F91 PolarHBondContact OG-N 2.86Å; F91-A93 VanDerWaalsContact C-N 3.34Å; F91-A93 PolarHBondContact O-N 3.48Å; F91-M94 HydrophobicContact CD1-SD 4.05Å; F91-M94 HydrophobicContact CE1-SD 4.25Å; F91-M94 PolarHBondContact O-N 3.4Å; F91-F95 HydrophobicContact CB-CD2 4.12Å; F91-F95 HydrophobicContact CB-CE2 3.88Å; F91-F95 AromaticContact CD1-CE2 3.62Å; F91-F95 HydrophobicContact CD1-CE2 3.62Å; F91-F95 AromaticContact CD1-CZ 3.79Å; F91-F95 HydrophobicContact CD1-CZ 3.79Å; F91-F95 HydrophobicContact CE1-CZ 4.44Å; F91-F95 HydrophobicContact CG-CE2 4.14Å; F91-F95 WeakPolarHBondContact O-CB 3.11Å; F91-F95 WeakPolarHBondContact O-CD2 3.25Å; F91-F95 WeakPolarHBondContact O-CG 3.39Å; F91-F95 PolarHBondContact O-N 2.94Å; F91-I109 HydrophobicContact CE1-CD1 3.81Å; F91-I109 HydrophobicContact CZ-CD1 3.72Å; F91-M117 HydrophobicContact CZ-CE 4.34Å; F91-F120 HydrophobicContact CD2-CE1 4.42Å; F91-F120 HydrophobicContact CD2-CZ 4.16Å; F91-F120 AromaticContact CE2-CE1 3.68Å; F91-F120 HydrophobicContact CE2-CE1 3.68Å; F91-F120 AromaticContact CE2-CZ 3.69Å; F91-F120 HydrophobicContact CE2-CZ 3.69Å; F91-F120 HydrophobicContact CZ-CE1 4.47Å; F91-F146 AromaticContact CE2-CD1 3.74Å; F91-F146 HydrophobicContact CE2-CD1 3.74Å; F91-F146 HydrophobicContact CE2-CD2 4.11Å; F91-F146 AromaticContact CE2-CE1 3.79Å; F91-F146 HydrophobicContact CE2-CE1 3.79Å; F91-F146 HydrophobicContact CE2-CE2 4.12Å; F91-F146 AromaticContact CE2-CG 3.89Å; F91-F146 HydrophobicContact CE2-CG 3.89Å; F91-F146 AromaticContact CE2-CZ 3.95Å; F91-F146 HydrophobicContact CE2-CZ 3.95Å; F91-F146 HydrophobicContact CZ-CD1 4.1Å; F91-F146 AromaticContact CZ-CE1 3.68Å; F91-F146 HydrophobicContact CZ-CE1 3.68Å; F91-F146 HydrophobicContact CZ-CE2 4.29Å; F91-F146 AromaticContact CZ-CZ 3.75Å; F91-F146 HydrophobicContact CZ-CZ 3.75Å
92	R	89.7	Confident	84.5	Confident	162 Å²	162	63 Å²	63	61%	0.611	35%	0.346	S	S	*	.	H	α-helix	trans	-59.2	-45.1	172.3	-171.2	176	178	178.7	-0.4	111.6	S88 S89 Y90 C96	S88-R92 WeakPolarHBondContact O-CB 3.37Å; S88-R92 PolarHBondContact O-N 3.44Å; S89-R92 PolarHBondContact O-N 2.94Å; Y90-R92 VanDerWaalsContact C-N 3.34Å; Y90-R92 PolarHBondContact O-N 3.21Å; R92-C96 WeakPolarHBondContact O-CB 3.32Å; R92-C96 PolarHBondContact O-N 3.11Å; R92-C96 PolarHBondContact O-SG 2.71Å
93	A	88	Confident	83.7	Confident	46 Å²	46	69 Å²	69	38%	0.38	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-41	176.6	0	0	0	0	0	111.8	S89 Y90 F91 F95 N97	S89-A93 WeakPolarHBondContact O-CB 3.5Å; S89-A93 PolarHBondContact O-N 3.39Å; Y90-A93 PolarHBondContact O-N 3.12Å; F91-A93 VanDerWaalsContact C-N 3.34Å; F91-A93 PolarHBondContact O-N 3.48Å; A93-F95 PolarHBondContact O-N 2.7Å; A93-N97 VanDerWaalsContact O-CB 3.24Å; A93-N97 WeakPolarHBondContact O-CB 3.3Å; A93-N97 PolarHBondContact O-N 3.27Å; A93-N97 PolarHBondContact O-ND2 3.25Å
94	M	88.1	Confident	83.1	Confident	23 Å²	23	71.4 Å²	71.4	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-43.2	178.1	-178.5	-176.7	-77.8	0	0	112.5	Y90 F91 E101 V107	Y90-M94 HydrophobicContact CD1-CE 4.32Å; Y90-M94 HydrophobicContact CE1-CE 3.33Å; Y90-M94 VanDerWaalsContact CZ-CE 3.5Å; Y90-M94 WeakPolarHBondContact O-CB 3.24Å; Y90-M94 PolarHBondContact O-N 2.93Å; Y90-M94 VanDerWaalsContact OH-CE 3.25Å; Y90-M94 WeakPolarHBondContact OH-CE 3.32Å; F91-M94 HydrophobicContact CD1-SD 4.05Å; F91-M94 HydrophobicContact CE1-SD 4.25Å; F91-M94 PolarHBondContact O-N 3.4Å; M94-E101 HydrophobicContact CG-CB 3.76Å; M94-E101 HydrophobicContact CG-CG 4.31Å; M94-E101 HydrophobicContact SD-CB 4.37Å; M94-V107 HydrophobicContact CE-CG1 4.35Å; M94-V107 HydrophobicContact SD-CG1 3.81Å
95	F	88	Confident	82.7	Confident	21 Å²	21	77.4 Å²	77.4	9%	0.092	39%	0.393	C	S	.	.	H	α-helix	trans	-93.2	-26.7	-174.2	-59.3	-44.1	0	0	0	114.5	V68 I70 R81 L84 S85 F91 A93 V107	V68-F95 HydrophobicContact CG1-CZ 4.28Å; V68-F95 HydrophobicContact CG2-CE1 4.14Å; V68-F95 HydrophobicContact CG2-CZ 4.12Å; I70-F95 HydrophobicContact CD1-CZ 4.39Å; R81-F95 HydrophobicContact CB-CD2 3.95Å; R81-F95 HydrophobicContact CB-CE2 4.21Å; R81-F95 HydrophobicContact CB-CG 4.31Å; R81-F95 HydrophobicContact CG-CD1 4.21Å; R81-F95 HydrophobicContact CG-CD2 4.04Å; R81-F95 HydrophobicContact CG-CE1 4.22Å; R81-F95 HydrophobicContact CG-CE2 4.04Å; R81-F95 HydrophobicContact CG-CG 4.13Å; R81-F95 HydrophobicContact CG-CZ 4.14Å; L84-F95 HydrophobicContact CB-CE2 4.1Å; L84-F95 HydrophobicContact CD1-CE2 3.99Å; L84-F95 HydrophobicContact CD1-CZ 4.29Å; S85-F95 WeakPolarHBondContact OG-CD2 3.34Å; F91-F95 HydrophobicContact CB-CD2 4.12Å; F91-F95 HydrophobicContact CB-CE2 3.88Å; F91-F95 AromaticContact CD1-CE2 3.62Å; F91-F95 HydrophobicContact CD1-CE2 3.62Å; F91-F95 AromaticContact CD1-CZ 3.79Å; F91-F95 HydrophobicContact CD1-CZ 3.79Å; F91-F95 HydrophobicContact CE1-CZ 4.44Å; F91-F95 HydrophobicContact CG-CE2 4.14Å; F91-F95 WeakPolarHBondContact O-CB 3.11Å; F91-F95 WeakPolarHBondContact O-CD2 3.25Å; F91-F95 WeakPolarHBondContact O-CG 3.39Å; F91-F95 PolarHBondContact O-N 2.94Å; A93-F95 PolarHBondContact O-N 2.7Å; F95-V107 HydrophobicContact CE1-CG2 4.36Å
96	C	82.4	Confident	82.6	Confident	91 Å²	91	80 Å²	80	62%	0.615	40%	0.404	S	S	*	.	H	α-helix	trans	-86.9	-17.6	179.4	-65.1	0	0	0	0	113.9	R92	R92-C96 WeakPolarHBondContact O-CB 3.32Å; R92-C96 PolarHBondContact O-N 3.11Å; R92-C96 PolarHBondContact O-SG 2.71Å
97	N	74.2	Confident	82.5	Confident	78 Å²	78	75.9 Å²	75.9	42%	0.417	37%	0.37	S	S	.	.	S	Bend	trans	-88.9	151.5	176	-65.9	-13.9	0	0	0	110.2	A93 H99 S102	A93-N97 VanDerWaalsContact O-CB 3.24Å; A93-N97 WeakPolarHBondContact O-CB 3.3Å; A93-N97 PolarHBondContact O-N 3.27Å; A93-N97 PolarHBondContact O-ND2 3.25Å; N97-H99 WeakPolarHBondContact CB-CD2 3.3Å; N97-H99 PolarHBondContact O-N 3.06Å; N97-S102 VanDerWaalsContact O-CB 3.27Å; N97-S102 WeakPolarHBondContact O-CB 3.47Å
98	D	67.2	Low	82.4	Confident	145 Å²	145	79.8 Å²	79.8	78%	0.775	38%	0.383	S	S	*	.	S	Bend	trans	-67.1	28.9	177.9	-89.1	-43.6	0	0	0	114.1	R103	D98-R103 IonicContact OD1-NH2 3.32Å
99	H	67.4	Low	82.2	Confident	107 Å²	107	80.2 Å²	80.2	50%	0.495	39%	0.385	S	S	.	.	S	Bend	trans	-75.9	163.9	175.6	-65.1	-55.4	0	0	0	111.7	N97 E101 S102	N97-H99 WeakPolarHBondContact CB-CD2 3.3Å; N97-H99 PolarHBondContact O-N 3.06Å; H99-E101 WeakPolarHBondContact CB-OE2 3.35Å; H99-E101 PolarHBondContact O-N 3.21Å; H99-S102 VanDerWaalsContact O-CB 3.26Å; H99-S102 WeakPolarHBondContact O-CB 3.36Å; H99-S102 PolarHBondContact O-N 3.15Å; H99-S102 PolarHBondContact O-OG 3.47Å
100	R	67.3	Low	82	Confident	184 Å²	184	83.4 Å²	83.4	69%	0.694	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-60.4	-37.7	-172.7	-174.9	175.1	173.1	-171.9	-10.1	112	S102 R103 E104	R100-S102 PolarHBondContact O-N 3.1Å; R100-R103 PolarHBondContact O-N 2.98Å; R100-E104 HydrophobicContact CG-CG 4.31Å; R100-E104 IonicContact CZ-OE1 3.46Å; R100-E104 VanDerWaalsContact CZ-OE1 3.23Å; R100-E104 IonicContact NE-OE1 3.04Å; R100-E104 PolarHBondContact NE-OE1 3.25Å; R100-E104 IonicContact NH2-OE1 3.72Å; R100-E104 PolarHBondContact NH2-OE1 2.97Å; R100-E104 PolarHBondContact O-N 2.83Å
101	E	69.1	Low	81.7	Confident	72 Å²	72	84 Å²	84	34%	0.336	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-61.9	-25.1	177.8	-59.4	81.4	176.7	0	0	112.1	R81 M94 H99 R103 V107	R81-E101 PolarHBondContact NH2-O 3.27Å; R81-E101 VanDerWaalsContact NH2-O 3.12Å; M94-E101 HydrophobicContact CG-CB 3.76Å; M94-E101 HydrophobicContact CG-CG 4.31Å; M94-E101 HydrophobicContact SD-CB 4.37Å; H99-E101 WeakPolarHBondContact CB-OE2 3.35Å; H99-E101 PolarHBondContact O-N 3.21Å; E101-R103 PolarHBondContact O-N 2.83Å; E101-V107 HydrophobicContact CB-CG2 4.26Å; E101-V107 HydrophobicContact CG-CG1 4.27Å
102	S	70.9	Confident	81.7	Confident	20 Å²	20	84.5 Å²	84.5	14%	0.14	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-66.7	-17.4	173.4	75.7	0	0	0	0	112.7	R81 N97 H99 R100	R81-S102 PolarHBondContact NH1-O 3.12Å; R81-S102 PolarHBondContact NH2-O 2.97Å; R81-S102 VanDerWaalsContact NH2-O 3.15Å; N97-S102 VanDerWaalsContact O-CB 3.27Å; N97-S102 WeakPolarHBondContact O-CB 3.47Å; H99-S102 VanDerWaalsContact O-CB 3.26Å; H99-S102 WeakPolarHBondContact O-CB 3.36Å; H99-S102 PolarHBondContact O-N 3.15Å; H99-S102 PolarHBondContact O-OG 3.47Å; R100-S102 PolarHBondContact O-N 3.1Å
103	R	74.5	Confident	81.7	Confident	197 Å²	197	80.3 Å²	80.3	74%	0.743	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-16.4	-179.1	-60.3	-178.4	-172.1	172.6	3.7	113.5	D98 R100 E101	D98-R103 IonicContact OD1-NH2 3.32Å; R100-R103 PolarHBondContact O-N 2.98Å; E101-R103 PolarHBondContact O-N 2.83Å
104	E	81.7	Confident	81.9	Confident	66 Å²	66	78.6 Å²	78.6	31%	0.308	40%	0.403	S	S	.	.			trans	-82.9	136.3	-179.9	-69.1	-174.4	163.9	0	0	111.3	R81 R100	R81-E104 PolarHBondContact NH2-O 2.94Å; R100-E104 HydrophobicContact CG-CG 4.31Å; R100-E104 IonicContact CZ-OE1 3.46Å; R100-E104 VanDerWaalsContact CZ-OE1 3.23Å; R100-E104 IonicContact NE-OE1 3.04Å; R100-E104 PolarHBondContact NE-OE1 3.25Å; R100-E104 IonicContact NH2-OE1 3.72Å; R100-E104 PolarHBondContact NH2-OE1 2.97Å; R100-E104 PolarHBondContact O-N 2.83Å
105	M	85.5	Confident	82.1	Confident	125 Å²	125	82.6 Å²	82.6	62%	0.616	42%	0.421	S	S	*	.	S	Bend	trans	-76.9	-30	172.9	-177	175.3	-87.3	0	0	110.9	V68 I69	V68-M105 CarbonylContact C-O 3.55Å; V68-M105 WeakPolarHBondContact CA-O 3.27Å; I69-M105 HydrophobicContact CD1-CG 4.48Å; I69-M105 PolarHBondContact N-O 3.23Å
106	L	90.3	Very high	82.3	Confident	78 Å²	78	81.6 Å²	81.6	41%	0.408	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.3	176.6	-172.5	95.1	0	0	0	109.1	I69 C71 E76	I69-L106 HydrophobicContact CB-CD1 4.18Å; I69-L106 HydrophobicContact CG2-CD1 3.86Å; I69-L106 CarbonylContact O-C 3.5Å; I69-L106 WeakPolarHBondContact O-CA 3.34Å; C71-L106 HydrophobicContact CB-CD1 4.21Å; C71-L106 HydrophobicContact CB-CG 4.41Å; E76-L106 HydrophobicContact CG-CD1 4.4Å
107	V	90.1	Very high	82.8	Confident	3 Å²	3	77.2 Å²	77.2	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.5	176.5	178.4	0	0	0	0	108.9	V68 I69 I70 C71 M94 F95 E101 I109	V68-V107 HydrophobicContact CG2-CB 4.48Å; V68-V107 HydrophobicContact CG2-CG2 3.89Å; I69-V107 PolarHBondContact O-N 2.91Å; I70-V107 CarbonylContact C-O 3.53Å; I70-V107 WeakPolarHBondContact CA-O 3.38Å; I70-V107 HydrophobicContact CD1-CB 3.98Å; I70-V107 HydrophobicContact CD1-CG1 4.43Å; C71-V107 PolarHBondContact N-O 3.34Å; M94-V107 HydrophobicContact CE-CG1 4.35Å; M94-V107 HydrophobicContact SD-CG1 3.81Å; F95-V107 HydrophobicContact CE1-CG2 4.36Å; E101-V107 HydrophobicContact CB-CG2 4.26Å; E101-V107 HydrophobicContact CG-CG1 4.27Å; V107-I109 HydrophobicContact CG1-CG1 4.43Å
108	E	90.1	Very high	83.7	Confident	131 Å²	131	78.3 Å²	78.3	61%	0.612	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.1	179	-170.2	173.2	-163.9	0	0	110.5	C71	C71-E108 WeakPolarHBondContact O-CA 3.27Å
109	I	88.5	Confident	84.9	Confident	9 Å²	9	72.4 Å²	72.4	5%	0.046	36%	0.36	C	S	.	.			trans	-112.3	115.4	177.4	-56.1	-179.7	0	0	0	108.8	I70 C71 V72 F91 V107 I112 F146	I70-I109 HydrophobicContact CG2-CD1 3.52Å; I70-I109 HydrophobicContact CG2-CG1 3.9Å; C71-I109 PolarHBondContact O-N 3.17Å; V72-I109 HydrophobicContact CG2-CB 4.24Å; F91-I109 HydrophobicContact CE1-CD1 3.81Å; F91-I109 HydrophobicContact CZ-CD1 3.72Å; V107-I109 HydrophobicContact CG1-CG1 4.43Å; I109-I112 HydrophobicContact CG2-CD1 3.54Å; I109-I112 HydrophobicContact CG2-CG1 4.16Å; I109-F146 HydrophobicContact CD1-CE1 4.03Å; I109-F146 HydrophobicContact CD1-CZ 3.92Å; I109-F146 HydrophobicContact CG2-CE1 4.44Å; I109-F146 HydrophobicContact CG2-CZ 4.42Å
110	N	87.7	Confident	86.1	Confident	125 Å²	125	67.3 Å²	67.3	67%	0.668	34%	0.336	S	S	*	.			trans	-90.4	146.8	179.1	-67.2	-59.6	0	0	0	111.3
111	G	84.6	Confident	87.4	Confident	81 Å²	81	58.8 Å²	58.8	84%	0.835	31%	0.305	S	S	*	.	S	Bend	trans	88.8	14.8	172.6	0	0	0	0	0	115.8
112	I	89.6	Confident	88.5	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.056	31%	0.31	C	S	.	.	S	Bend	trans	-124.6	143.4	175.7	-53.7	177.5	0	0	0	108.4	V72 I109 A116 T142 L145 F146	V72-I112 HydrophobicContact CG1-CB 4.18Å; V72-I112 WeakPolarHBondContact CG1-O 3.48Å; I109-I112 HydrophobicContact CG2-CD1 3.54Å; I109-I112 HydrophobicContact CG2-CG1 4.16Å; I112-A116 HydrophobicContact CG2-CB 3.87Å; I112-T142 HydrophobicContact CG2-CG2 4.22Å; I112-T142 WeakPolarHBondContact CG2-OG1 3.29Å; I112-L145 HydrophobicContact CD1-CD2 3.55Å; I112-L145 HydrophobicContact CG1-CD2 3.73Å; I112-F146 HydrophobicContact CD1-CE1 3.73Å; I112-F146 HydrophobicContact CD1-CE2 3.72Å; I112-F146 HydrophobicContact CD1-CZ 3.15Å
113	L	91	Very high	89.6	Confident	73 Å²	73	60.9 Å²	60.9	38%	0.382	31%	0.31	S	S	.	.			trans	-74.7	142	171.5	-66	174.2	0	0	0	111.1	E73 E115 A116 M117 Y138	E73-L113 WeakPolarHBondContact OE2-CA 3.44Å; L113-E115 PolarHBondContact O-N 3.28Å; L113-A116 HydrophobicContact CB-CB 4.19Å; L113-A116 VanDerWaalsContact O-CB 3.3Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 3.35Å; L113-M117 PolarHBondContact O-N 2.71Å; L113-M117 VanDerWaalsContact O-N 3.11Å; L113-Y138 HydrophobicContact CD1-CD1 3.88Å; L113-Y138 HydrophobicContact CD1-CG 4.06Å
114	A	92.7	Very high	90.5	Very high	10 Å²	10	51.9 Å²	51.9	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-36.2	178.9	0	0	0	0	0	112.9	E73 K75 F77 A116 M117 E118	E73-A114 HydrophobicContact CB-CB 4.46Å; E73-A114 PolarHBondContact OE2-N 3.35Å; K75-A114 HydrophobicContact CB-CB 4.27Å; K75-A114 HydrophobicContact CD-CB 4.16Å; F77-A114 HydrophobicContact CZ-CB 4.48Å; F77-A114 WeakPolarHBondContact CZ-O 3.4Å; A114-A116 VanDerWaalsContact C-N 3.33Å; A114-A116 PolarHBondContact O-N 2.93Å; A114-M117 PolarHBondContact O-N 3.32Å; A114-E118 PolarHBondContact O-N 3.29Å
115	E	91.9	Very high	91.1	Very high	107 Å²	107	48.7 Å²	48.7	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-66.2	-34.2	175	-63	81.1	-175.6	0	0	112.6	L113 E118 C119	L113-E115 PolarHBondContact O-N 3.28Å; E115-E118 PolarHBondContact O-N 3.29Å; E115-C119 PolarHBondContact O-N 3.12Å; E115-C119 PolarHBondContact O-SG 3.09Å
116	A	91.9	Very high	91.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-41.5	177.2	0	0	0	0	0	110.9	I112 L113 A114 E118 C119 F120 Y138 T142	I112-A116 HydrophobicContact CG2-CB 3.87Å; L113-A116 HydrophobicContact CB-CB 4.19Å; L113-A116 VanDerWaalsContact O-CB 3.3Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 3.35Å; A114-A116 VanDerWaalsContact C-N 3.33Å; A114-A116 PolarHBondContact O-N 2.93Å; A116-E118 VanDerWaalsContact C-N 3.34Å; A116-C119 PolarHBondContact O-N 3.27Å; A116-F120 WeakPolarHBondContact O-CB 3.36Å; A116-F120 PolarHBondContact O-N 3.46Å; A116-Y138 HydrophobicContact CB-CD2 3.36Å; A116-Y138 HydrophobicContact CB-CE2 4.05Å; A116-Y138 HydrophobicContact CB-CG 4.12Å; A116-T142 VanDerWaalsContact CB-OG1 3.32Å; A116-T142 WeakPolarHBondContact CB-OG1 3.27Å
117	M	93.7	Very high	91.4	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-40.2	174.7	-170	64.9	-170.2	0	0	111.5	I70 V72 F77 F91 L113 A114 F120 L121 F146	I70-M117 HydrophobicContact CB-CE 3.97Å; I70-M117 HydrophobicContact CG1-CE 4.04Å; I70-M117 HydrophobicContact CG2-CE 3.65Å; I70-M117 HydrophobicContact CG2-SD 4.45Å; V72-M117 HydrophobicContact CB-CB 4.46Å; V72-M117 HydrophobicContact CG2-CB 4.09Å; V72-M117 HydrophobicContact CG2-CG 3.86Å; V72-M117 HydrophobicContact CG2-SD 4.34Å; F77-M117 HydrophobicContact CD2-CG 4.05Å; F77-M117 HydrophobicContact CE2-CB 4.17Å; F77-M117 HydrophobicContact CE2-CG 4.05Å; F77-M117 HydrophobicContact CG-CG 4.46Å; F77-M117 HydrophobicContact CZ-CB 4.29Å; F77-M117 HydrophobicContact CZ-CG 4.45Å; F91-M117 HydrophobicContact CZ-CE 4.34Å; L113-M117 PolarHBondContact O-N 2.71Å; L113-M117 VanDerWaalsContact O-N 3.11Å; A114-M117 PolarHBondContact O-N 3.32Å; M117-F120 HydrophobicContact CE-CD1 4.11Å; M117-F120 HydrophobicContact CE-CE1 4.35Å; M117-F120 PolarHBondContact O-N 3.33Å; M117-F120 HydrophobicContact SD-CD1 4.07Å; M117-L121 HydrophobicContact CE-CD1 4Å; M117-L121 HydrophobicContact CE-CD2 3.91Å; M117-L121 HydrophobicContact CE-CG 3.88Å; M117-L121 HydrophobicContact CG-CD1 4.22Å; M117-L121 HydrophobicContact CG-CG 4.48Å; M117-L121 WeakPolarHBondContact O-CB 3.44Å; M117-L121 VanDerWaalsContact O-CG 3.3Å; M117-L121 WeakPolarHBondContact O-CG 3.37Å; M117-L121 PolarHBondContact O-N 3.14Å; M117-F146 HydrophobicContact SD-CE2 3.77Å; M117-F146 HydrophobicContact SD-CZ 3.96Å
118	E	92.9	Very high	91.5	Very high	100 Å²	100	48.3 Å²	48.3	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-46	176.3	-173	164.2	-179.9	0	0	112	K75 F77 A114 E115 A116 F120 L121 Q122	K75-E118 IonicContact NZ-OE2 3.19Å; K75-E118 PolarHBondContact NZ-OE2 3.37Å; F77-E118 HydrophobicContact CE1-CB 4.09Å; A114-E118 PolarHBondContact O-N 3.29Å; E115-E118 PolarHBondContact O-N 3.29Å; A116-E118 VanDerWaalsContact C-N 3.34Å; E118-F120 VanDerWaalsContact C-N 3.33Å; E118-F120 PolarHBondContact O-N 2.77Å; E118-L121 PolarHBondContact O-N 3.01Å; E118-Q122 WeakPolarHBondContact O-CB 3.11Å; E118-Q122 PolarHBondContact O-N 3.42Å
119	C	92.5	Very high	91.6	Very high	22 Å²	22	43.8 Å²	43.8	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-40.6	175	-66.9	0	0	0	0	112	E115 A116 Q122 Y123 V129 L139	E115-C119 PolarHBondContact O-N 3.12Å; E115-C119 PolarHBondContact O-SG 3.09Å; A116-C119 PolarHBondContact O-N 3.27Å; C119-Q122 PolarHBondContact O-N 3.32Å; C119-Y123 PolarHBondContact O-N 2.92Å; C119-V129 HydrophobicContact CB-CG2 4.08Å; C119-L139 HydrophobicContact CB-CD1 3.91Å
120	F	92.5	Very high	91.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-47.3	175.7	169.4	-96.4	0	0	0	111.6	L84 F91 A116 M117 E118 Q122 Y123 V124 T142 F146 I148	L84-F120 HydrophobicContact CD2-CE1 4.05Å; F91-F120 HydrophobicContact CD2-CE1 4.42Å; F91-F120 HydrophobicContact CD2-CZ 4.16Å; F91-F120 AromaticContact CE2-CE1 3.68Å; F91-F120 HydrophobicContact CE2-CE1 3.68Å; F91-F120 AromaticContact CE2-CZ 3.69Å; F91-F120 HydrophobicContact CE2-CZ 3.69Å; F91-F120 HydrophobicContact CZ-CE1 4.47Å; A116-F120 WeakPolarHBondContact O-CB 3.36Å; A116-F120 PolarHBondContact O-N 3.46Å; M117-F120 HydrophobicContact CE-CD1 4.11Å; M117-F120 HydrophobicContact CE-CE1 4.35Å; M117-F120 PolarHBondContact O-N 3.33Å; M117-F120 HydrophobicContact SD-CD1 4.07Å; E118-F120 VanDerWaalsContact C-N 3.33Å; E118-F120 PolarHBondContact O-N 2.77Å; F120-Q122 VanDerWaalsContact C-N 3.32Å; F120-Q122 PolarHBondContact O-N 3.29Å; F120-Y123 WeakPolarHBondContact O-CB 3.27Å; F120-Y123 PolarHBondContact O-N 3.35Å; F120-Y123 VanDerWaalsContact O-N 3.12Å; F120-V124 HydrophobicContact CD1-CG2 4.08Å; F120-V124 HydrophobicContact CD2-CG2 4.32Å; F120-V124 HydrophobicContact CE1-CG2 3.64Å; F120-V124 HydrophobicContact CE2-CG2 3.97Å; F120-V124 HydrophobicContact CG-CG2 4.4Å; F120-V124 HydrophobicContact CZ-CG2 3.58Å; F120-V124 WeakPolarHBondContact O-CG2 3.47Å; F120-V124 PolarHBondContact O-N 2.77Å; F120-T142 HydrophobicContact CB-CG2 3.97Å; F120-T142 HydrophobicContact CD2-CG2 4.28Å; F120-T142 HydrophobicContact CG-CG2 4.25Å; F120-F146 AromaticContact CD1-CD2 3.98Å; F120-F146 HydrophobicContact CD1-CD2 3.98Å; F120-F146 AromaticContact CD1-CE2 3.93Å; F120-F146 HydrophobicContact CD1-CE2 3.93Å; F120-F146 AromaticContact CD2-CD2 3.57Å; F120-F146 HydrophobicContact CD2-CD2 3.57Å; F120-F146 HydrophobicContact CD2-CE2 4.24Å; F120-F146 AromaticContact CE1-CD2 3.82Å; F120-F146 HydrophobicContact CE1-CD2 3.82Å; F120-F146 AromaticContact CE1-CE2 3.98Å; F120-F146 HydrophobicContact CE1-CE2 3.98Å; F120-F146 HydrophobicContact CE2-CB 3.69Å; F120-F146 AromaticContact CE2-CD2 3.31Å; F120-F146 HydrophobicContact CE2-CD2 3.31Å; F120-F146 HydrophobicContact CE2-CE2 4.22Å; F120-F146 AromaticContact CE2-CG 3.9Å; F120-F146 HydrophobicContact CE2-CG 3.9Å; F120-F146 AromaticContact CG-CD2 3.87Å; F120-F146 HydrophobicContact CG-CD2 3.87Å; F120-F146 HydrophobicContact CG-CE2 4.07Å; F120-F146 HydrophobicContact CZ-CB 4Å; F120-F146 AromaticContact CZ-CD2 3.49Å; F120-F146 HydrophobicContact CZ-CD2 3.49Å; F120-F146 VanDerWaalsContact CZ-CD2 3.49Å; F120-F146 HydrophobicContact CZ-CE2 4.13Å; F120-F146 AromaticContact CZ-CG 3.98Å; F120-F146 HydrophobicContact CZ-CG 3.98Å; F120-I148 HydrophobicContact CD2-CD1 3.96Å; F120-I148 HydrophobicContact CE2-CD1 3.19Å; F120-I148 HydrophobicContact CE2-CG1 4Å; F120-I148 HydrophobicContact CZ-CD1 3.97Å
121	L	93.3	Very high	92.1	Very high	5 Å²	5	47 Å²	47	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-36.4	177.9	-72	175.8	0	0	0	111.7	R60 F77 C79 L84 M117 E118 Y123 V124 Y125	R60-L121 PolarHBondContact NH1-O 3.16Å; F77-L121 HydrophobicContact CB-CD1 3.59Å; F77-L121 HydrophobicContact CD1-CD1 3.73Å; F77-L121 HydrophobicContact CG-CD1 3.81Å; C79-L121 VanDerWaalsContact SG-CD2 3.52Å; L84-L121 HydrophobicContact CD2-CD2 3.76Å; M117-L121 HydrophobicContact CE-CD1 4Å; M117-L121 HydrophobicContact CE-CD2 3.91Å; M117-L121 HydrophobicContact CE-CG 3.88Å; M117-L121 HydrophobicContact CG-CD1 4.22Å; M117-L121 HydrophobicContact CG-CG 4.48Å; M117-L121 WeakPolarHBondContact O-CB 3.44Å; M117-L121 VanDerWaalsContact O-CG 3.3Å; M117-L121 WeakPolarHBondContact O-CG 3.37Å; M117-L121 PolarHBondContact O-N 3.14Å; E118-L121 PolarHBondContact O-N 3.01Å; L121-Y123 VanDerWaalsContact C-N 3.31Å; L121-Y123 PolarHBondContact O-N 3.25Å; L121-V124 PolarHBondContact O-N 2.91Å; L121-Y125 HydrophobicContact CD2-CE2 4.32Å; L121-Y125 VanDerWaalsContact O-CD2 3.27Å; L121-Y125 WeakPolarHBondContact O-CD2 3.44Å; L121-Y125 PolarHBondContact O-N 3.19Å
122	Q	92.7	Very high	92.5	Very high	95 Å²	95	44.9 Å²	44.9	44%	0.444	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-45.6	170.5	-173	179.1	13.5	0	0	110.9	E118 C119 F120 T126	E118-Q122 WeakPolarHBondContact O-CB 3.11Å; E118-Q122 PolarHBondContact O-N 3.42Å; C119-Q122 PolarHBondContact O-N 3.32Å; F120-Q122 VanDerWaalsContact C-N 3.32Å; F120-Q122 PolarHBondContact O-N 3.29Å; Q122-T126 WeakPolarHBondContact O-CB 3.48Å; Q122-T126 WeakPolarHBondContact O-CG2 3.47Å; Q122-T126 PolarHBondContact O-N 3.1Å; Q122-T126 PolarHBondContact O-OG1 3.15Å
123	Y	94.1	Very high	92.4	Very high	40 Å²	40	47.6 Å²	47.6	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-48.5	176.6	176.2	-98.9	0	0	0	112.5	C119 F120 L121 Y125 T126 G127 K128 V129 I148 L151	C119-Y123 PolarHBondContact O-N 2.92Å; F120-Y123 WeakPolarHBondContact O-CB 3.27Å; F120-Y123 PolarHBondContact O-N 3.35Å; F120-Y123 VanDerWaalsContact O-N 3.12Å; L121-Y123 VanDerWaalsContact C-N 3.31Å; L121-Y123 PolarHBondContact O-N 3.25Å; Y123-Y125 VanDerWaalsContact C-N 3.25Å; Y123-Y125 PolarHBondContact O-N 3.26Å; Y123-T126 PolarHBondContact O-N 3.18Å; Y123-G127 VanDerWaalsContact O-CA 3.27Å; Y123-G127 WeakPolarHBondContact O-CA 3.29Å; Y123-G127 PolarHBondContact O-N 3.16Å; Y123-K128 WeakPolarHBondContact CA-O 3.46Å; Y123-V129 HydrophobicContact CD2-CB 4.42Å; Y123-V129 HydrophobicContact CD2-CG1 4Å; Y123-I148 HydrophobicContact CD1-CD1 4.22Å; Y123-I148 HydrophobicContact CE1-CD1 4.12Å; Y123-I148 HydrophobicContact CE1-CG2 3.72Å; Y123-L151 HydrophobicContact CD1-CD2 4.21Å; Y123-L151 HydrophobicContact CE1-CB 4.39Å; Y123-L151 HydrophobicContact CG-CD2 4.25Å
124	V	93.7	Very high	92.3	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.048	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-38.7	-177.8	167.4	0	0	0	0	112	V83 L84 C87 F120 L121 I148	V83-V124 HydrophobicContact CG1-CG1 3.66Å; L84-V124 HydrophobicContact CD2-CG1 4.38Å; C87-V124 HydrophobicContact CB-CG1 4Å; C87-V124 HydrophobicContact CB-CG2 4.12Å; F120-V124 HydrophobicContact CD1-CG2 4.08Å; F120-V124 HydrophobicContact CD2-CG2 4.32Å; F120-V124 HydrophobicContact CE1-CG2 3.64Å; F120-V124 HydrophobicContact CE2-CG2 3.97Å; F120-V124 HydrophobicContact CG-CG2 4.4Å; F120-V124 HydrophobicContact CZ-CG2 3.58Å; F120-V124 WeakPolarHBondContact O-CG2 3.47Å; F120-V124 PolarHBondContact O-N 2.77Å; L121-V124 PolarHBondContact O-N 2.91Å; V124-I148 HydrophobicContact CG2-CD1 4.46Å
125	Y	93.7	Very high	92.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-95.1	-13.2	-175.5	-77.3	-98.8	0	0	0	114.5	L53 F56 N57 R60 H80 V83 L121 Y123	L53-Y125 CarbonylContact C-O 3.59Å; L53-Y125 WeakPolarHBondContact CB-O 3.37Å; L53-Y125 VanDerWaalsContact O-O 3.12Å; F56-Y125 HydrophobicContact CB-CD1 3.98Å; F56-Y125 HydrophobicContact CB-CE1 4.05Å; F56-Y125 WeakPolarHBondContact O-CE1 3.45Å; N57-Y125 HydrophobicContact CB-CD1 4.27Å; N57-Y125 HydrophobicContact CB-CG 4.48Å; N57-Y125 VanDerWaalsContact OD1-CB 3.26Å; N57-Y125 WeakPolarHBondContact OD1-CB 3.47Å; R60-Y125 HydrophobicContact CB-CE1 4.07Å; R60-Y125 HydrophobicContact CG-CE1 4.48Å; R60-Y125 VanDerWaalsContact NH1-CD2 3.29Å; H80-Y125 PolarHBondContact N-OH 3.44Å; H80-Y125 AromaticContact ND1-CE1 3.5Å; H80-Y125 WeakPolarHBondContact ND1-CE1 3.45Å; H80-Y125 AromaticContact ND1-CZ 3.64Å; H80-Y125 PolarHBondContact ND1-OH 3.44Å; V83-Y125 HydrophobicContact CB-CE1 4.2Å; V83-Y125 HydrophobicContact CG1-CD1 4.16Å; V83-Y125 HydrophobicContact CG1-CD2 4.31Å; V83-Y125 HydrophobicContact CG1-CE1 3.93Å; V83-Y125 HydrophobicContact CG1-CE2 4.09Å; V83-Y125 HydrophobicContact CG1-CG 4.37Å; V83-Y125 HydrophobicContact CG2-CE1 4.12Å; L121-Y125 HydrophobicContact CD2-CE2 4.32Å; L121-Y125 VanDerWaalsContact O-CD2 3.27Å; L121-Y125 WeakPolarHBondContact O-CD2 3.44Å; L121-Y125 PolarHBondContact O-N 3.19Å; Y123-Y125 VanDerWaalsContact C-N 3.25Å; Y123-Y125 PolarHBondContact O-N 3.26Å
126	T	91.5	Very high	92.3	Very high	34 Å²	34	46.5 Å²	46.5	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-126.5	-12.4	-176.5	71.6	0	0	0	0	114.3	Q122 Y123 K128	Q122-T126 WeakPolarHBondContact O-CB 3.48Å; Q122-T126 WeakPolarHBondContact O-CG2 3.47Å; Q122-T126 PolarHBondContact O-N 3.1Å; Q122-T126 PolarHBondContact O-OG1 3.15Å; Y123-T126 PolarHBondContact O-N 3.18Å; T126-K128 PolarHBondContact O-N 3.31Å; T126-K128 PolarHBondContact OG1-N 2.96Å; T126-K128 VanDerWaalsContact OG1-N 3.17Å; T126-K128 PolarHBondContact OG1-O 3.4Å
127	G	90.2	Very high	92.1	Very high	49 Å²	49	49.1 Å²	49.1	51%	0.505	25%	0.253	S	S	.	.	S	Bend	trans	66.4	9.7	-169.3	0	0	0	0	0	113.9	Y123	Y123-G127 VanDerWaalsContact O-CA 3.27Å; Y123-G127 WeakPolarHBondContact O-CA 3.29Å; Y123-G127 PolarHBondContact O-N 3.16Å
128	K	92.3	Very high	92	Very high	114 Å²	114	51.6 Å²	51.6	50%	0.496	26%	0.263	S	S	.	.			trans	-128.5	138.6	-172	-64.3	167.2	-170.1	161.9	0	110.3	E50 Y123 T126	E50-K128 IonicContact OE1-NZ 3.45Å; E50-K128 PolarHBondContact OE1-NZ 3.44Å; Y123-K128 WeakPolarHBondContact CA-O 3.46Å; T126-K128 PolarHBondContact O-N 3.31Å; T126-K128 PolarHBondContact OG1-N 2.96Å; T126-K128 VanDerWaalsContact OG1-N 3.17Å; T126-K128 PolarHBondContact OG1-O 3.4Å
129	V	93.5	Very high	92	Very high	36 Å²	36	46.9 Å²	46.9	22%	0.218	24%	0.241	C	C	.	.			trans	-151.4	144.2	172.5	63.6	0	0	0	0	109.4	C119 Y123 I131 L139 L151	C119-V129 HydrophobicContact CB-CG2 4.08Å; Y123-V129 HydrophobicContact CD2-CB 4.42Å; Y123-V129 HydrophobicContact CD2-CG1 4Å; V129-I131 HydrophobicContact CG1-CG1 4.34Å; V129-L139 HydrophobicContact CG1-CD2 4.47Å; V129-L139 HydrophobicContact CG2-CD1 4.42Å; V129-L139 HydrophobicContact CG2-CD2 3.98Å; V129-L151 HydrophobicContact CG1-CD1 3.55Å
130	K	93.7	Very high	92	Very high	165 Å²	165	45.9 Å²	45.9	72%	0.717	23%	0.234	S	C	*	.			trans	-92.9	109.6	176.5	-173.6	-178	179.7	-175.3	0	108.9	T132 N135	K130-T132 HydrophobicContact CD-CG2 4.36Å; K130-T132 HydrophobicContact CG-CG2 4.09Å; K130-N135 PolarHBondContact O-ND2 2.91Å
131	I	93.2	Very high	91.9	Very high	37 Å²	37	50.3 Å²	50.3	19%	0.19	26%	0.255	C	S	.	.			trans	-86.2	131.8	175.4	-50.2	178.2	0	0	0	108.7	V129 N135 V136 L139 A154 F158	V129-I131 HydrophobicContact CG1-CG1 4.34Å; I131-N135 WeakPolarHBondContact CA-OD1 3.41Å; I131-V136 HydrophobicContact CG2-CB 3.98Å; I131-V136 HydrophobicContact CG2-CG2 3.95Å; I131-L139 HydrophobicContact CG1-CD2 3.95Å; I131-A154 HydrophobicContact CD1-CB 3.88Å; I131-F158 HydrophobicContact CB-CD2 4.49Å; I131-F158 HydrophobicContact CB-CG 4.39Å; I131-F158 HydrophobicContact CG2-CB 3.93Å; I131-F158 HydrophobicContact CG2-CD1 3.75Å; I131-F158 HydrophobicContact CG2-CD2 4.21Å; I131-F158 HydrophobicContact CG2-CE1 4.31Å; I131-F158 HydrophobicContact CG2-CG 3.68Å
132	T	92.4	Very high	91.9	Very high	37 Å²	37	50.2 Å²	50.2	23%	0.227	26%	0.255	C	S	.	.			trans	-137.8	164.2	-177.8	65.8	0	0	0	0	109.8	K130 E134 N135 V136	K130-T132 HydrophobicContact CD-CG2 4.36Å; K130-T132 HydrophobicContact CG-CG2 4.09Å; T132-E134 PolarHBondContact O-N 3.01Å; T132-N135 PolarHBondContact N-OD1 3.2Å; T132-N135 PolarHBondContact O-N 3.27Å; T132-N135 PolarHBondContact O-OD1 3.28Å; T132-N135 VanDerWaalsContact O-OD1 3.12Å; T132-N135 PolarHBondContact OG1-N 3Å; T132-N135 PolarHBondContact OG1-ND2 3.01Å; T132-N135 PolarHBondContact OG1-OD1 2.88Å; T132-V136 WeakPolarHBondContact O-CB 3.43Å; T132-V136 PolarHBondContact O-N 3.1Å
133	T	87.5	Confident	91.8	Very high	68 Å²	68	45.8 Å²	45.8	42%	0.417	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.3	177.5	52.5	0	0	0	0	113.1	F158	T133-F158 HydrophobicContact CG2-CE1 4.1Å; T133-F158 HydrophobicContact CG2-CZ 4.08Å
134	E	88.7	Confident	91.7	Very high	151 Å²	151	46.4 Å²	46.4	71%	0.706	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-32.9	178	-64.1	176.5	-178.5	0	0	111.9	T132 Y138	T132-E134 PolarHBondContact O-N 3.01Å; E134-Y138 WeakPolarHBondContact O-CE1 3.36Å
135	N	92	Very high	91.6	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.07	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-16	-172.4	77.6	13	0	0	0	116.5	K130 I131 T132 Q137 Y138 L139	K130-N135 PolarHBondContact O-ND2 2.91Å; I131-N135 WeakPolarHBondContact CA-OD1 3.41Å; T132-N135 PolarHBondContact N-OD1 3.2Å; T132-N135 PolarHBondContact O-N 3.27Å; T132-N135 PolarHBondContact O-OD1 3.28Å; T132-N135 VanDerWaalsContact O-OD1 3.12Å; T132-N135 PolarHBondContact OG1-N 3Å; T132-N135 PolarHBondContact OG1-ND2 3.01Å; T132-N135 PolarHBondContact OG1-OD1 2.88Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.36Å; N135-Y138 VanDerWaalsContact CA-CE1 3.43Å; N135-Y138 WeakPolarHBondContact CA-OH 3.45Å; N135-Y138 HydrophobicContact CB-CD2 4.41Å; N135-Y138 HydrophobicContact CB-CE1 3.95Å; N135-Y138 HydrophobicContact CB-CE2 3.5Å; N135-Y138 WeakPolarHBondContact CB-OH 3.23Å; N135-Y138 WeakPolarHBondContact O-CD2 3.47Å; N135-Y138 PolarHBondContact O-N 3.2Å; N135-L139 WeakPolarHBondContact O-CB 3.46Å; N135-L139 PolarHBondContact O-N 2.98Å
136	V	92.3	Very high	91.5	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-37.4	-170	63	0	0	0	0	113.1	I131 T132 F140 C155 F158 L159	I131-V136 HydrophobicContact CG2-CB 3.98Å; I131-V136 HydrophobicContact CG2-CG2 3.95Å; T132-V136 WeakPolarHBondContact O-CB 3.43Å; T132-V136 PolarHBondContact O-N 3.1Å; V136-F140 WeakPolarHBondContact O-CB 3.46Å; V136-F140 PolarHBondContact O-N 2.71Å; V136-C155 HydrophobicContact CG2-CB 3.95Å; V136-F158 HydrophobicContact CB-CD1 4.09Å; V136-F158 HydrophobicContact CB-CE1 4.36Å; V136-F158 HydrophobicContact CG1-CD1 4.43Å; V136-F158 HydrophobicContact CG1-CE1 4.43Å; V136-F158 HydrophobicContact CG2-CD1 3.96Å; V136-L159 HydrophobicContact CB-CD2 4.5Å; V136-L159 HydrophobicContact CG1-CD2 3.74Å; V136-L159 HydrophobicContact CG2-CD1 4.31Å; V136-L159 HydrophobicContact CG2-CD2 3.96Å; V136-L159 HydrophobicContact CG2-CG 3.83Å
137	Q	88.6	Confident	91.5	Very high	55 Å²	55	53.8 Å²	53.8	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-59.9	-179.4	-69.6	-176.6	-2.3	0	0	111.3	V2 I4 N135 L139 F140 E141 F174	V2-Q137 PolarHBondContact O-NE2 3.16Å; I4-Q137 VanDerWaalsContact CB-NE2 3.26Å; I4-Q137 HydrophobicContact CD1-CG 3.96Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.36Å; Q137-L139 VanDerWaalsContact C-N 3.31Å; Q137-L139 PolarHBondContact O-N 2.87Å; Q137-F140 WeakPolarHBondContact O-CB 3.15Å; Q137-F140 PolarHBondContact O-N 2.72Å; Q137-E141 WeakPolarHBondContact O-CG 3.27Å; Q137-E141 PolarHBondContact O-N 2.89Å; Q137-F174 HydrophobicContact CB-CE2 4.43Å; Q137-F174 HydrophobicContact CG-CE2 4.37Å
138	Y	90.5	Very high	91.6	Very high	52 Å²	52	51.9 Å²	51.9	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-69.6	-30.2	-177.4	57.3	-110.4	0	0	0	112.3	L113 A116 E134 N135 T142	L113-Y138 HydrophobicContact CD1-CD1 3.88Å; L113-Y138 HydrophobicContact CD1-CG 4.06Å; A116-Y138 HydrophobicContact CB-CD2 3.36Å; A116-Y138 HydrophobicContact CB-CE2 4.05Å; A116-Y138 HydrophobicContact CB-CG 4.12Å; E134-Y138 WeakPolarHBondContact O-CE1 3.36Å; N135-Y138 VanDerWaalsContact CA-CE1 3.43Å; N135-Y138 WeakPolarHBondContact CA-OH 3.45Å; N135-Y138 HydrophobicContact CB-CD2 4.41Å; N135-Y138 HydrophobicContact CB-CE1 3.95Å; N135-Y138 HydrophobicContact CB-CE2 3.5Å; N135-Y138 WeakPolarHBondContact CB-OH 3.23Å; N135-Y138 WeakPolarHBondContact O-CD2 3.47Å; N135-Y138 PolarHBondContact O-N 3.2Å; Y138-T142 VanDerWaalsContact O-CB 3.25Å; Y138-T142 WeakPolarHBondContact O-CB 3.44Å; Y138-T142 PolarHBondContact O-N 3.33Å; Y138-T142 PolarHBondContact O-OG1 2.89Å
139	L	93.1	Very high	91.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-39.8	174	-173.6	62.6	0	0	0	111	C119 V129 I131 N135 Q137 S143 L151	C119-L139 HydrophobicContact CB-CD1 3.91Å; V129-L139 HydrophobicContact CG1-CD2 4.47Å; V129-L139 HydrophobicContact CG2-CD1 4.42Å; V129-L139 HydrophobicContact CG2-CD2 3.98Å; I131-L139 HydrophobicContact CG1-CD2 3.95Å; N135-L139 WeakPolarHBondContact O-CB 3.46Å; N135-L139 PolarHBondContact O-N 2.98Å; Q137-L139 VanDerWaalsContact C-N 3.31Å; Q137-L139 PolarHBondContact O-N 2.87Å; L139-S143 VanDerWaalsContact O-CB 3.29Å; L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 2.93Å; L139-S143 PolarHBondContact O-OG 3.25Å; L139-L151 HydrophobicContact CD1-CD2 3.99Å; L139-L151 HydrophobicContact CD2-CD1 4.22Å; L139-L151 HydrophobicContact CG-CD1 4.36Å; L139-L151 HydrophobicContact CG-CD2 4.37Å
140	F	92.6	Very high	91.5	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-50.9	173.9	-179.1	-79.8	0	0	0	111	V136 Q137 T142 S143 S144 R152 C155 A156 F174 H178 L180	V136-F140 WeakPolarHBondContact O-CB 3.46Å; V136-F140 PolarHBondContact O-N 2.71Å; Q137-F140 WeakPolarHBondContact O-CB 3.15Å; Q137-F140 PolarHBondContact O-N 2.72Å; F140-T142 VanDerWaalsContact C-N 3.31Å; F140-T142 PolarHBondContact O-N 3.12Å; F140-S143 WeakPolarHBondContact CA-OG 3.49Å; F140-S143 PolarHBondContact O-N 3.36Å; F140-S143 VanDerWaalsContact O-N 3.16Å; F140-S143 PolarHBondContact O-OG 3.16Å; F140-S144 WeakPolarHBondContact O-CB 3.41Å; F140-S144 PolarHBondContact O-N 3.46Å; F140-R152 HydrophobicContact CD2-CG 3.92Å; F140-R152 HydrophobicContact CE1-CG 4.41Å; F140-R152 HydrophobicContact CE2-CB 4.44Å; F140-R152 HydrophobicContact CE2-CG 3.27Å; F140-R152 HydrophobicContact CZ-CG 3.55Å; F140-C155 HydrophobicContact CB-CB 3.99Å; F140-C155 HydrophobicContact CD2-CB 3.76Å; F140-C155 HydrophobicContact CG-CB 4.38Å; F140-A156 HydrophobicContact CE2-CB 4.48Å; F140-F174 HydrophobicContact CB-CE1 4.49Å; F140-F174 HydrophobicContact CB-CZ 3.93Å; F140-F174 AromaticContact CD1-CE1 3.9Å; F140-F174 HydrophobicContact CD1-CE1 3.9Å; F140-F174 AromaticContact CD1-CZ 3.48Å; F140-F174 HydrophobicContact CD1-CZ 3.48Å; F140-F174 VanDerWaalsContact CD1-CZ 3.48Å; F140-F174 HydrophobicContact CD2-CE1 4.33Å; F140-F174 HydrophobicContact CE1-CE1 4.27Å; F140-F174 HydrophobicContact CE1-CZ 4.18Å; F140-F174 AromaticContact CG-CE1 3.97Å; F140-F174 HydrophobicContact CG-CE1 3.97Å; F140-F174 AromaticContact CG-CZ 3.71Å; F140-F174 HydrophobicContact CG-CZ 3.71Å; F140-H178 HydrophobicContact CE1-CB 3.61Å; F140-H178 AromaticContact CE1-CG 3.58Å; F140-H178 AromaticContact CE1-ND1 3.99Å; F140-H178 HydrophobicContact CZ-CB 4.07Å; F140-L180 HydrophobicContact CE1-CD1 4.44Å; F140-L180 HydrophobicContact CE2-CD1 3.56Å; F140-L180 HydrophobicContact CE2-CD2 4Å; F140-L180 HydrophobicContact CE2-CG 4.21Å; F140-L180 HydrophobicContact CZ-CD1 3.53Å; F140-L180 HydrophobicContact CZ-CD2 3.75Å; F140-L180 HydrophobicContact CZ-CG 3.81Å
141	E	91	Very high	91.5	Very high	93 Å²	93	44.6 Å²	44.6	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-55.7	-46.5	177.8	-71.9	173.6	176.8	0	0	111.4	Q137 S144 L145	Q137-E141 WeakPolarHBondContact O-CG 3.27Å; Q137-E141 PolarHBondContact O-N 2.89Å; E141-S144 PolarHBondContact O-N 3.14Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 PolarHBondContact O-N 2.79Å
142	T	92.1	Very high	91.4	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-45.5	176.7	-58.2	0	0	0	0	111.7	I112 A116 F120 Y138 F140 S144 L145 F146	I112-T142 HydrophobicContact CG2-CG2 4.22Å; I112-T142 WeakPolarHBondContact CG2-OG1 3.29Å; A116-T142 VanDerWaalsContact CB-OG1 3.32Å; A116-T142 WeakPolarHBondContact CB-OG1 3.27Å; F120-T142 HydrophobicContact CB-CG2 3.97Å; F120-T142 HydrophobicContact CD2-CG2 4.28Å; F120-T142 HydrophobicContact CG-CG2 4.25Å; Y138-T142 VanDerWaalsContact O-CB 3.25Å; Y138-T142 WeakPolarHBondContact O-CB 3.44Å; Y138-T142 PolarHBondContact O-N 3.33Å; Y138-T142 PolarHBondContact O-OG1 2.89Å; F140-T142 VanDerWaalsContact C-N 3.31Å; F140-T142 PolarHBondContact O-N 3.12Å; T142-S144 VanDerWaalsContact C-N 3.29Å; T142-S144 PolarHBondContact O-N 3.43Å; T142-L145 PolarHBondContact O-N 3.5Å; T142-F146 HydrophobicContact CG2-CD2 3.49Å; T142-F146 VanDerWaalsContact CG2-CD2 3.49Å; T142-F146 HydrophobicContact CG2-CE2 3.46Å; T142-F146 VanDerWaalsContact CG2-CE2 3.46Å; T142-F146 WeakPolarHBondContact O-CB 3.4Å; T142-F146 WeakPolarHBondContact O-CD2 3.39Å; T142-F146 WeakPolarHBondContact O-CG 2.99Å; T142-F146 PolarHBondContact O-N 2.98Å
143	S	92.4	Very high	91.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-34.7	178.1	73.7	0	0	0	0	112.6	L139 F140 Q147 I148 R152	L139-S143 VanDerWaalsContact O-CB 3.29Å; L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 2.93Å; L139-S143 PolarHBondContact O-OG 3.25Å; F140-S143 WeakPolarHBondContact CA-OG 3.49Å; F140-S143 PolarHBondContact O-N 3.36Å; F140-S143 VanDerWaalsContact O-N 3.16Å; F140-S143 PolarHBondContact O-OG 3.16Å; S143-Q147 PolarHBondContact O-N 2.96Å; S143-Q147 VanDerWaalsContact O-N 3.07Å; S143-I148 PolarHBondContact O-N 2.69Å; S143-R152 VanDerWaalsContact OG-CA 3.3Å; S143-R152 WeakPolarHBondContact OG-CA 3.26Å; S143-R152 WeakPolarHBondContact OG-CB 3.27Å; S143-R152 PolarHBondContact OG-N 2.99Å
144	S	90.9	Very high	91.7	Very high	54 Å²	54	48 Å²	48	38%	0.378	25%	0.251	S	S	.	.	H	α-helix	trans	-71.5	-46.3	177	-171.6	0	0	0	0	111	F140 E141 T142 F146 Q147	F140-S144 WeakPolarHBondContact O-CB 3.41Å; F140-S144 PolarHBondContact O-N 3.46Å; E141-S144 PolarHBondContact O-N 3.14Å; T142-S144 VanDerWaalsContact C-N 3.29Å; T142-S144 PolarHBondContact O-N 3.43Å; S144-F146 PolarHBondContact O-N 2.91Å; S144-Q147 PolarHBondContact O-N 2.94Å; S144-Q147 VanDerWaalsContact O-N 3.14Å
145	L	91.4	Very high	91.9	Very high	76 Å²	76	40.9 Å²	40.9	40%	0.398	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-45.2	177.5	-179.6	60.3	0	0	0	111.6	I112 E141 T142 Q147	I112-L145 HydrophobicContact CD1-CD2 3.55Å; I112-L145 HydrophobicContact CG1-CD2 3.73Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 PolarHBondContact O-N 2.79Å; T142-L145 PolarHBondContact O-N 3.5Å; L145-Q147 VanDerWaalsContact C-N 3.25Å; L145-Q147 PolarHBondContact O-N 3.39Å
146	F	92.1	Very high	91.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	7.5	178	-60.5	-32.6	0	0	0	114.3	S88 Y90 F91 I109 I112 M117 F120 T142 S144 I148	S88-F146 WeakPolarHBondContact CB-O 3.37Å; S88-F146 PolarHBondContact OG-O 3.27Å; Y90-F146 AromaticContact CD1-CD1 3.53Å; Y90-F146 HydrophobicContact CD1-CD1 3.53Å; Y90-F146 AromaticContact CD1-CE1 3.93Å; Y90-F146 HydrophobicContact CD1-CE1 3.93Å; Y90-F146 AromaticContact CE1-CD1 3.83Å; Y90-F146 HydrophobicContact CE1-CD1 3.83Å; Y90-F146 AromaticContact CE1-CE1 3.75Å; Y90-F146 HydrophobicContact CE1-CE1 3.75Å; Y90-F146 HydrophobicContact CG-CD1 4.1Å; F91-F146 AromaticContact CE2-CD1 3.74Å; F91-F146 HydrophobicContact CE2-CD1 3.74Å; F91-F146 HydrophobicContact CE2-CD2 4.11Å; F91-F146 AromaticContact CE2-CE1 3.79Å; F91-F146 HydrophobicContact CE2-CE1 3.79Å; F91-F146 HydrophobicContact CE2-CE2 4.12Å; F91-F146 AromaticContact CE2-CG 3.89Å; F91-F146 HydrophobicContact CE2-CG 3.89Å; F91-F146 AromaticContact CE2-CZ 3.95Å; F91-F146 HydrophobicContact CE2-CZ 3.95Å; F91-F146 HydrophobicContact CZ-CD1 4.1Å; F91-F146 AromaticContact CZ-CE1 3.68Å; F91-F146 HydrophobicContact CZ-CE1 3.68Å; F91-F146 HydrophobicContact CZ-CE2 4.29Å; F91-F146 AromaticContact CZ-CZ 3.75Å; F91-F146 HydrophobicContact CZ-CZ 3.75Å; I109-F146 HydrophobicContact CD1-CE1 4.03Å; I109-F146 HydrophobicContact CD1-CZ 3.92Å; I109-F146 HydrophobicContact CG2-CE1 4.44Å; I109-F146 HydrophobicContact CG2-CZ 4.42Å; I112-F146 HydrophobicContact CD1-CE1 3.73Å; I112-F146 HydrophobicContact CD1-CE2 3.72Å; I112-F146 HydrophobicContact CD1-CZ 3.15Å; M117-F146 HydrophobicContact SD-CE2 3.77Å; M117-F146 HydrophobicContact SD-CZ 3.96Å; F120-F146 AromaticContact CD1-CD2 3.98Å; F120-F146 HydrophobicContact CD1-CD2 3.98Å; F120-F146 AromaticContact CD1-CE2 3.93Å; F120-F146 HydrophobicContact CD1-CE2 3.93Å; F120-F146 AromaticContact CD2-CD2 3.57Å; F120-F146 HydrophobicContact CD2-CD2 3.57Å; F120-F146 HydrophobicContact CD2-CE2 4.24Å; F120-F146 AromaticContact CE1-CD2 3.82Å; F120-F146 HydrophobicContact CE1-CD2 3.82Å; F120-F146 AromaticContact CE1-CE2 3.98Å; F120-F146 HydrophobicContact CE1-CE2 3.98Å; F120-F146 HydrophobicContact CE2-CB 3.69Å; F120-F146 AromaticContact CE2-CD2 3.31Å; F120-F146 HydrophobicContact CE2-CD2 3.31Å; F120-F146 HydrophobicContact CE2-CE2 4.22Å; F120-F146 AromaticContact CE2-CG 3.9Å; F120-F146 HydrophobicContact CE2-CG 3.9Å; F120-F146 AromaticContact CG-CD2 3.87Å; F120-F146 HydrophobicContact CG-CD2 3.87Å; F120-F146 HydrophobicContact CG-CE2 4.07Å; F120-F146 HydrophobicContact CZ-CB 4Å; F120-F146 AromaticContact CZ-CD2 3.49Å; F120-F146 HydrophobicContact CZ-CD2 3.49Å; F120-F146 VanDerWaalsContact CZ-CD2 3.49Å; F120-F146 HydrophobicContact CZ-CE2 4.13Å; F120-F146 AromaticContact CZ-CG 3.98Å; F120-F146 HydrophobicContact CZ-CG 3.98Å; T142-F146 HydrophobicContact CG2-CD2 3.49Å; T142-F146 VanDerWaalsContact CG2-CD2 3.49Å; T142-F146 HydrophobicContact CG2-CE2 3.46Å; T142-F146 VanDerWaalsContact CG2-CE2 3.46Å; T142-F146 WeakPolarHBondContact O-CB 3.4Å; T142-F146 WeakPolarHBondContact O-CD2 3.39Å; T142-F146 WeakPolarHBondContact O-CG 2.99Å; T142-F146 PolarHBondContact O-N 2.98Å; S144-F146 PolarHBondContact O-N 2.91Å; F146-I148 VanDerWaalsContact C-N 3.31Å; F146-I148 PolarHBondContact O-N 2.84Å
147	Q	91.7	Very high	92	Very high	121 Å²	121	46.9 Å²	46.9	57%	0.565	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	37.8	174.9	-58.2	-177.9	0.7	0	0	114.5	S89 S143 S144 L145 S149	S89-Q147 VanDerWaalsContact OG-CB 3.29Å; S89-Q147 WeakPolarHBondContact OG-CB 3.43Å; S89-Q147 PolarHBondContact OG-OE1 2.94Å; S143-Q147 PolarHBondContact O-N 2.96Å; S143-Q147 VanDerWaalsContact O-N 3.07Å; S144-Q147 PolarHBondContact O-N 2.94Å; S144-Q147 VanDerWaalsContact O-N 3.14Å; L145-Q147 VanDerWaalsContact C-N 3.25Å; L145-Q147 PolarHBondContact O-N 3.39Å; Q147-S149 PolarHBondContact O-N 3.4Å
148	I	91.7	Very high	92.2	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.046	24%	0.242	C	C	.	.			trans	-94.2	89.4	173	-55.2	-163.3	0	0	0	109.6	F120 Y123 V124 S143 F146 V150 L151 R152	F120-I148 HydrophobicContact CD2-CD1 3.96Å; F120-I148 HydrophobicContact CE2-CD1 3.19Å; F120-I148 HydrophobicContact CE2-CG1 4Å; F120-I148 HydrophobicContact CZ-CD1 3.97Å; Y123-I148 HydrophobicContact CD1-CD1 4.22Å; Y123-I148 HydrophobicContact CE1-CD1 4.12Å; Y123-I148 HydrophobicContact CE1-CG2 3.72Å; V124-I148 HydrophobicContact CG2-CD1 4.46Å; S143-I148 PolarHBondContact O-N 2.69Å; F146-I148 VanDerWaalsContact C-N 3.31Å; F146-I148 PolarHBondContact O-N 2.84Å; I148-V150 VanDerWaalsContact C-N 3.34Å; I148-V150 PolarHBondContact O-N 3.35Å; I148-L151 HydrophobicContact CB-CB 4.29Å; I148-L151 HydrophobicContact CG2-CB 3.66Å; I148-L151 PolarHBondContact O-N 3.48Å; I148-R152 WeakPolarHBondContact O-CB 3.33Å; I148-R152 PolarHBondContact O-N 3.24Å; I148-R152 VanDerWaalsContact O-N 3.07Å
149	S	91.2	Very high	92.3	Very high	63 Å²	63	43.9 Å²	43.9	44%	0.441	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-41.9	-178.2	53.7	0	0	0	0	113.3	Q147 L151 R152 D153	Q147-S149 PolarHBondContact O-N 3.4Å; S149-L151 PolarHBondContact O-N 3.38Å; S149-R152 WeakPolarHBondContact O-CB 3.25Å; S149-R152 PolarHBondContact O-N 3.41Å; S149-D153 WeakPolarHBondContact O-CB 3.07Å; S149-D153 PolarHBondContact O-N 3.32Å
150	V	93.4	Very high	92.3	Very high	97 Å²	97	47.3 Å²	47.3	59%	0.588	25%	0.249	S	C	*	.	H	α-helix	trans	-61.9	-43.4	-177.3	-178.1	0	0	0	0	111.9	I148 A154	I148-V150 VanDerWaalsContact C-N 3.34Å; I148-V150 PolarHBondContact O-N 3.35Å; V150-A154 WeakPolarHBondContact O-CB 3.45Å; V150-A154 PolarHBondContact O-N 3.25Å
151	L	92.6	Very high	92.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-70.7	-41.3	178.3	179.2	56	0	0	0	111.1	Y123 V129 L139 I148 S149 D153 A154 C155	Y123-L151 HydrophobicContact CD1-CD2 4.21Å; Y123-L151 HydrophobicContact CE1-CB 4.39Å; Y123-L151 HydrophobicContact CG-CD2 4.25Å; V129-L151 HydrophobicContact CG1-CD1 3.55Å; L139-L151 HydrophobicContact CD1-CD2 3.99Å; L139-L151 HydrophobicContact CD2-CD1 4.22Å; L139-L151 HydrophobicContact CG-CD1 4.36Å; L139-L151 HydrophobicContact CG-CD2 4.37Å; I148-L151 HydrophobicContact CB-CB 4.29Å; I148-L151 HydrophobicContact CG2-CB 3.66Å; I148-L151 PolarHBondContact O-N 3.48Å; S149-L151 PolarHBondContact O-N 3.38Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 3.37Å; L151-A154 PolarHBondContact O-N 2.92Å; L151-C155 PolarHBondContact O-N 3.48Å; L151-C155 PolarHBondContact O-SG 3.02Å
152	R	91.6	Very high	92.3	Very high	89 Å²	89	51.8 Å²	51.8	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-57	-46.8	174.6	-173.9	-164.6	67.7	-179.9	-1.4	111.7	F140 S143 I148 S149 A154 C155 A156	F140-R152 HydrophobicContact CD2-CG 3.92Å; F140-R152 HydrophobicContact CE1-CG 4.41Å; F140-R152 HydrophobicContact CE2-CB 4.44Å; F140-R152 HydrophobicContact CE2-CG 3.27Å; F140-R152 HydrophobicContact CZ-CG 3.55Å; S143-R152 VanDerWaalsContact OG-CA 3.3Å; S143-R152 WeakPolarHBondContact OG-CA 3.26Å; S143-R152 WeakPolarHBondContact OG-CB 3.27Å; S143-R152 PolarHBondContact OG-N 2.99Å; I148-R152 WeakPolarHBondContact O-CB 3.33Å; I148-R152 PolarHBondContact O-N 3.24Å; I148-R152 VanDerWaalsContact O-N 3.07Å; S149-R152 WeakPolarHBondContact O-CB 3.25Å; S149-R152 PolarHBondContact O-N 3.41Å; R152-A154 VanDerWaalsContact C-N 3.34Å; R152-C155 PolarHBondContact O-N 3.24Å; R152-A156 PolarHBondContact O-N 3.24Å
153	D	92.2	Very high	92.4	Very high	84 Å²	84	53 Å²	53	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-69.2	-33.6	-179	-62.6	-10.1	0	0	0	111.1	S149 L151 A156 K157	S149-D153 WeakPolarHBondContact O-CB 3.07Å; S149-D153 PolarHBondContact O-N 3.32Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 3.37Å; D153-A156 PolarHBondContact O-N 3.28Å; D153-K157 WeakPolarHBondContact O-CB 3.33Å; D153-K157 PolarHBondContact O-N 2.59Å
154	A	93.8	Very high	92.4	Very high	41 Å²	41	54.8 Å²	54.8	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-42.2	172.2	0	0	0	0	0	112.5	I131 V150 L151 R152 K157 F158	I131-A154 HydrophobicContact CD1-CB 3.88Å; V150-A154 WeakPolarHBondContact O-CB 3.45Å; V150-A154 PolarHBondContact O-N 3.25Å; L151-A154 PolarHBondContact O-N 2.92Å; R152-A154 VanDerWaalsContact C-N 3.34Å; A154-K157 PolarHBondContact O-N 2.77Å; A154-F158 PolarHBondContact O-N 3.18Å
155	C	93.3	Very high	92.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-44	173.2	-71.7	0	0	0	0	111.6	V136 F140 L151 R152 K157 F158 L159	V136-C155 HydrophobicContact CG2-CB 3.95Å; F140-C155 HydrophobicContact CB-CB 3.99Å; F140-C155 HydrophobicContact CD2-CB 3.76Å; F140-C155 HydrophobicContact CG-CB 4.38Å; L151-C155 PolarHBondContact O-N 3.48Å; L151-C155 PolarHBondContact O-SG 3.02Å; R152-C155 PolarHBondContact O-N 3.24Å; C155-K157 VanDerWaalsContact C-N 3.33Å; C155-K157 PolarHBondContact O-N 2.84Å; C155-F158 PolarHBondContact O-N 3.44Å; C155-L159 WeakPolarHBondContact O-CG 3.17Å; C155-L159 PolarHBondContact O-N 2.82Å
156	A	92.4	Very high	92.5	Very high	15 Å²	15	50.5 Å²	50.5	12%	0.124	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-40.3	176.5	0	0	0	0	0	112.2	F140 R152 D153 L159 E160 L180	F140-A156 HydrophobicContact CE2-CB 4.48Å; R152-A156 PolarHBondContact O-N 3.24Å; D153-A156 PolarHBondContact O-N 3.28Å; A156-L159 PolarHBondContact O-N 2.96Å; A156-E160 PolarHBondContact O-N 3.35Å; A156-L180 HydrophobicContact CB-CD1 4.25Å
157	K	93.2	Very high	92.5	Very high	128 Å²	128	51.5 Å²	51.5	56%	0.557	27%	0.267	S	S	*	.	H	α-helix	trans	-64.6	-40.8	174.9	-172.9	-178.7	177.7	-168.1	0	112.2	D153 A154 C155 L159 E160 E161	D153-K157 WeakPolarHBondContact O-CB 3.33Å; D153-K157 PolarHBondContact O-N 2.59Å; A154-K157 PolarHBondContact O-N 2.77Å; C155-K157 VanDerWaalsContact C-N 3.33Å; C155-K157 PolarHBondContact O-N 2.84Å; K157-L159 VanDerWaalsContact C-N 3.35Å; K157-E160 WeakPolarHBondContact O-CB 3.45Å; K157-E160 PolarHBondContact O-N 2.82Å; K157-E161 WeakPolarHBondContact CE-OE1 3.35Å; K157-E161 IonicContact NZ-OE1 2.94Å; K157-E161 PolarHBondContact O-N 3.38Å
158	F	94	Very high	92.6	Very high	39 Å²	39	45.7 Å²	45.7	17%	0.171	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-42.9	175.4	179.1	-95	0	0	0	111.7	I131 T133 V136 A154 C155 E160 E161 Q162	I131-F158 HydrophobicContact CB-CD2 4.49Å; I131-F158 HydrophobicContact CB-CG 4.39Å; I131-F158 HydrophobicContact CG2-CB 3.93Å; I131-F158 HydrophobicContact CG2-CD1 3.75Å; I131-F158 HydrophobicContact CG2-CD2 4.21Å; I131-F158 HydrophobicContact CG2-CE1 4.31Å; I131-F158 HydrophobicContact CG2-CG 3.68Å; T133-F158 HydrophobicContact CG2-CE1 4.1Å; T133-F158 HydrophobicContact CG2-CZ 4.08Å; V136-F158 HydrophobicContact CB-CD1 4.09Å; V136-F158 HydrophobicContact CB-CE1 4.36Å; V136-F158 HydrophobicContact CG1-CD1 4.43Å; V136-F158 HydrophobicContact CG1-CE1 4.43Å; V136-F158 HydrophobicContact CG2-CD1 3.96Å; A154-F158 PolarHBondContact O-N 3.18Å; C155-F158 PolarHBondContact O-N 3.44Å; F158-E160 VanDerWaalsContact C-N 3.31Å; F158-E160 PolarHBondContact O-N 2.92Å; F158-E161 PolarHBondContact O-N 2.71Å; F158-Q162 HydrophobicContact CD1-CG 4.31Å; F158-Q162 HydrophobicContact CE1-CG 3.9Å; F158-Q162 HydrophobicContact CE2-CG 4.25Å; F158-Q162 HydrophobicContact CZ-CG 3.86Å; F158-Q162 WeakPolarHBondContact O-CG 3.49Å; F158-Q162 PolarHBondContact O-N 3.03Å
159	L	92.9	Very high	92.7	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-39.9	174.9	-70.2	172.5	0	0	0	112	V136 C155 A156 K157 Q162 L163 I171 F174 L183	V136-L159 HydrophobicContact CB-CD2 4.5Å; V136-L159 HydrophobicContact CG1-CD2 3.74Å; V136-L159 HydrophobicContact CG2-CD1 4.31Å; V136-L159 HydrophobicContact CG2-CD2 3.96Å; V136-L159 HydrophobicContact CG2-CG 3.83Å; C155-L159 WeakPolarHBondContact O-CG 3.17Å; C155-L159 PolarHBondContact O-N 2.82Å; A156-L159 PolarHBondContact O-N 2.96Å; K157-L159 VanDerWaalsContact C-N 3.35Å; L159-Q162 PolarHBondContact O-N 2.88Å; L159-L163 PolarHBondContact O-N 3.41Å; L159-I171 HydrophobicContact CB-CG2 4.13Å; L159-I171 HydrophobicContact CD2-CG1 4.45Å; L159-F174 HydrophobicContact CD1-CD1 3.75Å; L159-F174 HydrophobicContact CD1-CE1 3.59Å; L159-L183 HydrophobicContact CB-CD2 4.03Å; L159-L183 HydrophobicContact CD1-CD2 4.03Å
160	E	92.3	Very high	92.7	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-41.7	175.8	-168.9	-174	146.9	0	0	112.4	A156 K157 F158 Q162 L163 L183 K186	A156-E160 PolarHBondContact O-N 3.35Å; K157-E160 WeakPolarHBondContact O-CB 3.45Å; K157-E160 PolarHBondContact O-N 2.82Å; F158-E160 VanDerWaalsContact C-N 3.31Å; F158-E160 PolarHBondContact O-N 2.92Å; E160-Q162 PolarHBondContact O-N 3.28Å; E160-L163 HydrophobicContact CG-CD1 4.43Å; E160-L163 WeakPolarHBondContact O-CG 3.47Å; E160-L163 PolarHBondContact O-N 3.15Å; E160-L183 HydrophobicContact CB-CD1 3.96Å; E160-L183 HydrophobicContact CG-CD1 4.48Å; E160-K186 HydrophobicContact CG-CD 3.91Å; E160-K186 VanDerWaalsContact OE1-CD 3.27Å; E160-K186 WeakPolarHBondContact OE1-CD 3.48Å; E160-K186 WeakPolarHBondContact OE1-CE 3.18Å; E160-K186 IonicContact OE1-NZ 2.93Å; E160-K186 PolarHBondContact OE1-NZ 2.83Å; E160-K186 WeakPolarHBondContact OE2-CD 3.46Å; E160-K186 IonicContact OE2-NZ 3.23Å; E160-K186 PolarHBondContact OE2-NZ 3.3Å
161	E	92.5	Very high	92.7	Very high	128 Å²	128	38.1 Å²	38.1	60%	0.598	19%	0.191	S	C	*	.	H	α-helix	trans	-72.1	-14.7	178.7	-70.5	176.5	-175.9	0	0	113.4	K157 F158	K157-E161 WeakPolarHBondContact CE-OE1 3.35Å; K157-E161 IonicContact NZ-OE1 2.94Å; K157-E161 PolarHBondContact O-N 3.38Å; F158-E161 PolarHBondContact O-N 2.71Å
162	Q	91.6	Very high	92.7	Very high	61 Å²	61	38.6 Å²	38.6	29%	0.285	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	10.9	178.8	-63.7	-56.2	-57.7	0	0	113.7	F158 L159 E160 D164 N167	F158-Q162 HydrophobicContact CD1-CG 4.31Å; F158-Q162 HydrophobicContact CE1-CG 3.9Å; F158-Q162 HydrophobicContact CE2-CG 4.25Å; F158-Q162 HydrophobicContact CZ-CG 3.86Å; F158-Q162 WeakPolarHBondContact O-CG 3.49Å; F158-Q162 PolarHBondContact O-N 3.03Å; L159-Q162 PolarHBondContact O-N 2.88Å; E160-Q162 PolarHBondContact O-N 3.28Å; Q162-D164 PolarHBondContact O-N 3.21Å; Q162-N167 PolarHBondContact O-ND2 2.92Å
163	L	92.2	Very high	92.7	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.157	19%	0.187	C	C	.	.			trans	-57.1	125	175.8	-78.5	176.3	0	0	0	111.4	L159 E160 C168 I171 C187 F190	L159-L163 PolarHBondContact O-N 3.41Å; E160-L163 HydrophobicContact CG-CD1 4.43Å; E160-L163 WeakPolarHBondContact O-CG 3.47Å; E160-L163 PolarHBondContact O-N 3.15Å; L163-C168 HydrophobicContact CD2-CB 4.21Å; L163-I171 HydrophobicContact CD2-CB 4.46Å; L163-I171 HydrophobicContact CD2-CD1 4.04Å; L163-I171 HydrophobicContact CD2-CG2 4.37Å; L163-C187 HydrophobicContact CD2-CB 4.39Å; L163-F190 HydrophobicContact CD1-CB 4.44Å
164	D	93.1	Very high	92.7	Very high	37 Å²	37	33.5 Å²	33.5	20%	0.198	17%	0.168	C	C	.	.			trans	-144.1	148.8	-179.2	-168.6	-81.1	0	0	0	109	R8 Q162 C166 N167 C168	R8-D164 IonicContact NE-OD2 2.68Å; R8-D164 IonicContact NH2-OD2 3.7Å; Q162-D164 PolarHBondContact O-N 3.21Å; D164-C166 PolarHBondContact O-N 3.24Å; D164-C166 PolarHBondContact OD1-N 3.3Å; D164-C166 VanDerWaalsContact OD1-N 3.14Å; D164-C166 PolarHBondContact OD1-SG 3.42Å; D164-N167 PolarHBondContact N-OD1 3.34Å; D164-N167 PolarHBondContact O-N 3.44Å; D164-N167 PolarHBondContact O-OD1 3.45Å; D164-C168 WeakPolarHBondContact O-CB 3.1Å; D164-C168 PolarHBondContact O-N 3.05Å
165	P	91.7	Very high	92.6	Very high	22 Å²	22	31.5 Å²	31.5	14%	0.143	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.9	179.4	-28.4	37.3	0	0	0	114.1	F190 D197 V198 H201	P165-F190 HydrophobicContact CG-CE1 4.17Å; P165-F190 HydrophobicContact CG-CZ 4.27Å; P165-D197 HydrophobicContact CB-CB 3.69Å; P165-D197 HydrophobicContact CG-CB 3.97Å; P165-V198 HydrophobicContact CB-CG2 3.95Å; P165-H201 PolarHBondContact O-CD2 2.91Å
166	C	92.7	Very high	92.6	Very high	18 Å²	18	36.4 Å²	36.4	12%	0.122	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.6	179.2	76.9	0	0	0	0	115.3	D164	D164-C166 PolarHBondContact O-N 3.24Å; D164-C166 PolarHBondContact OD1-N 3.3Å; D164-C166 VanDerWaalsContact OD1-N 3.14Å; D164-C166 PolarHBondContact OD1-SG 3.42Å
167	N	92.1	Very high	92.5	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.112	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-8.3	-172.7	71	19.1	0	0	0	114.1	Q162 D164 L169 G170 I171	Q162-N167 PolarHBondContact O-ND2 2.92Å; D164-N167 PolarHBondContact N-OD1 3.34Å; D164-N167 PolarHBondContact O-N 3.44Å; D164-N167 PolarHBondContact O-OD1 3.45Å; N167-L169 VanDerWaalsContact C-N 3.27Å; N167-L169 PolarHBondContact O-N 3.41Å; N167-G170 PolarHBondContact O-N 3.05Å; N167-I171 HydrophobicContact CB-CD1 4.41Å; N167-I171 WeakPolarHBondContact O-CG1 3.37Å; N167-I171 PolarHBondContact O-N 3.25Å; N167-I171 WeakPolarHBondContact OD1-CD1 3.43Å
168	C	93.6	Very high	92.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-32.9	-170.6	64.2	0	0	0	0	112.6	L163 D164 Q172 F190 V198	L163-C168 HydrophobicContact CD2-CB 4.21Å; D164-C168 WeakPolarHBondContact O-CB 3.1Å; D164-C168 PolarHBondContact O-N 3.05Å; C168-Q172 VanDerWaalsContact O-CB 3.26Å; C168-Q172 WeakPolarHBondContact O-CB 3.48Å; C168-Q172 PolarHBondContact O-N 3.37Å; C168-F190 HydrophobicContact CB-CD1 3.83Å; C168-F190 HydrophobicContact CB-CE1 4.24Å; C168-V198 VanDerWaalsContact SG-CG2 3.56Å
169	L	93.7	Very high	92.1	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-72.1	-40.9	177.5	-61.1	177.6	0	0	0	111	N167 Q172 R173 A191 V198 E203 F204 L207 Y215	N167-L169 VanDerWaalsContact C-N 3.27Å; N167-L169 PolarHBondContact O-N 3.41Å; L169-Q172 WeakPolarHBondContact O-CB 3.47Å; L169-Q172 PolarHBondContact O-N 3.45Å; L169-R173 WeakPolarHBondContact O-CG 3.22Å; L169-R173 PolarHBondContact O-N 2.95Å; L169-A191 HydrophobicContact CD2-CB 4.37Å; L169-V198 HydrophobicContact CD1-CG1 3.69Å; L169-V198 HydrophobicContact CD2-CG1 4.24Å; L169-V198 HydrophobicContact CG-CG1 3.88Å; L169-E203 HydrophobicContact CB-CB 4.13Å; L169-E203 HydrophobicContact CD1-CB 4.19Å; L169-F204 HydrophobicContact CD1-CB 3.94Å; L169-F204 HydrophobicContact CD1-CD2 4.31Å; L169-L207 HydrophobicContact CD1-CD1 4.08Å; L169-L207 HydrophobicContact CD1-CD2 4.16Å; L169-L207 HydrophobicContact CD1-CG 4.2Å; L169-L207 HydrophobicContact CD2-CD2 4.37Å; L169-Y215 HydrophobicContact CD2-CE2 4.03Å; L169-Y215 WeakPolarHBondContact CD2-OH 3.21Å
170	G	91.9	Very high	91.9	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-46	171.9	0	0	0	0	0	112.5	N167 Q172 R173 F174 E203	N167-G170 PolarHBondContact O-N 3.05Å; G170-Q172 VanDerWaalsContact C-N 3.33Å; G170-Q172 PolarHBondContact O-N 3.01Å; G170-R173 PolarHBondContact O-N 3.25Å; G170-F174 WeakPolarHBondContact O-CB 3.43Å; G170-F174 PolarHBondContact O-N 2.96Å; G170-E203 PolarHBondContact N-OE2 2.92Å
171	I	92.7	Very high	91.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-37.1	175.8	-62.4	172.6	0	0	0	110.8	I4 L159 L163 N167 F174 A175 L183 C187	I4-I171 HydrophobicContact CG2-CG1 3.78Å; L159-I171 HydrophobicContact CB-CG2 4.13Å; L159-I171 HydrophobicContact CD2-CG1 4.45Å; L163-I171 HydrophobicContact CD2-CB 4.46Å; L163-I171 HydrophobicContact CD2-CD1 4.04Å; L163-I171 HydrophobicContact CD2-CG2 4.37Å; N167-I171 HydrophobicContact CB-CD1 4.41Å; N167-I171 WeakPolarHBondContact O-CG1 3.37Å; N167-I171 PolarHBondContact O-N 3.25Å; N167-I171 WeakPolarHBondContact OD1-CD1 3.43Å; I171-F174 WeakPolarHBondContact O-CB 3.44Å; I171-F174 PolarHBondContact O-N 2.97Å; I171-A175 WeakPolarHBondContact O-CB 3.47Å; I171-A175 PolarHBondContact O-N 2.85Å; I171-L183 HydrophobicContact CG2-CD1 4.28Å; I171-L183 HydrophobicContact CG2-CD2 4.01Å; I171-L183 HydrophobicContact CG2-CG 4.22Å; I171-C187 VanDerWaalsContact CG2-SG 3.59Å
172	Q	93.4	Very high	91.9	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-47	175.9	-177.4	170.1	-34.7	0	0	112.2	C168 L169 G170 F174 A175 D176 F184 C187 Y215	C168-Q172 VanDerWaalsContact O-CB 3.26Å; C168-Q172 WeakPolarHBondContact O-CB 3.48Å; C168-Q172 PolarHBondContact O-N 3.37Å; L169-Q172 WeakPolarHBondContact O-CB 3.47Å; L169-Q172 PolarHBondContact O-N 3.45Å; G170-Q172 VanDerWaalsContact C-N 3.33Å; G170-Q172 PolarHBondContact O-N 3.01Å; Q172-F174 VanDerWaalsContact C-N 3.29Å; Q172-F174 PolarHBondContact O-N 3.32Å; Q172-A175 WeakPolarHBondContact O-CB 3.46Å; Q172-A175 PolarHBondContact O-N 3.27Å; Q172-A175 VanDerWaalsContact O-N 3.15Å; Q172-D176 PolarHBondContact O-N 3.36Å; Q172-F184 HydrophobicContact CG-CD2 3.52Å; Q172-F184 HydrophobicContact CG-CE2 3.48Å; Q172-F184 VanDerWaalsContact CG-CE2 3.48Å; Q172-F184 HydrophobicContact CG-CG 4.34Å; Q172-F184 HydrophobicContact CG-CZ 4.26Å; Q172-C187 HydrophobicContact CB-CB 3.72Å; Q172-C187 HydrophobicContact CG-CB 4.24Å; Q172-Y215 PolarHBondContact NE2-OH 2.68Å; Q172-Y215 PolarHBondContact OE1-OH 2.95Å
173	R	92.1	Very high	92	Very high	52 Å²	52	41.9 Å²	41.9	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-39.6	175.4	-76	172.5	169.1	-179.1	-9.1	111.9	L169 G170 D176 T177 E206 L207 E211	L169-R173 WeakPolarHBondContact O-CG 3.22Å; L169-R173 PolarHBondContact O-N 2.95Å; G170-R173 PolarHBondContact O-N 3.25Å; R173-D176 PolarHBondContact O-N 3.37Å; R173-T177 WeakPolarHBondContact O-CB 3.39Å; R173-T177 PolarHBondContact O-N 3.41Å; R173-T177 PolarHBondContact O-OG1 3.3Å; R173-E206 IonicContact NH1-OE2 3.97Å; R173-E206 VanDerWaalsContact NH2-C 3.35Å; R173-E206 PolarHBondContact NH2-O 3.44Å; R173-L207 VanDerWaalsContact NH2-CA 3.28Å; R173-E211 IonicContact CZ-OE2 3.26Å; R173-E211 IonicContact NE-OE1 2.76Å; R173-E211 PolarHBondContact NE-OE1 2.8Å; R173-E211 IonicContact NE-OE2 3.88Å; R173-E211 IonicContact NH2-OE1 3.98Å; R173-E211 IonicContact NH2-OE2 4Å; R173-E211 PolarHBondContact NH2-OE2 3.3Å
174	F	91.1	Very high	92.1	Very high	13 Å²	13	43 Å²	43	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-46.9	172.6	-180	-92.4	0	0	0	111.4	I4 Q137 F140 L159 G170 I171 Q172 D176 T177 H178 L180	I4-F174 HydrophobicContact CD1-CB 3.83Å; I4-F174 HydrophobicContact CD1-CD2 4.02Å; I4-F174 HydrophobicContact CD1-CG 4.04Å; Q137-F174 HydrophobicContact CB-CE2 4.43Å; Q137-F174 HydrophobicContact CG-CE2 4.37Å; F140-F174 HydrophobicContact CB-CE1 4.49Å; F140-F174 HydrophobicContact CB-CZ 3.93Å; F140-F174 AromaticContact CD1-CE1 3.9Å; F140-F174 HydrophobicContact CD1-CE1 3.9Å; F140-F174 AromaticContact CD1-CZ 3.48Å; F140-F174 HydrophobicContact CD1-CZ 3.48Å; F140-F174 VanDerWaalsContact CD1-CZ 3.48Å; F140-F174 HydrophobicContact CD2-CE1 4.33Å; F140-F174 HydrophobicContact CE1-CE1 4.27Å; F140-F174 HydrophobicContact CE1-CZ 4.18Å; F140-F174 AromaticContact CG-CE1 3.97Å; F140-F174 HydrophobicContact CG-CE1 3.97Å; F140-F174 AromaticContact CG-CZ 3.71Å; F140-F174 HydrophobicContact CG-CZ 3.71Å; L159-F174 HydrophobicContact CD1-CD1 3.75Å; L159-F174 HydrophobicContact CD1-CE1 3.59Å; G170-F174 WeakPolarHBondContact O-CB 3.43Å; G170-F174 PolarHBondContact O-N 2.96Å; I171-F174 WeakPolarHBondContact O-CB 3.44Å; I171-F174 PolarHBondContact O-N 2.97Å; Q172-F174 VanDerWaalsContact C-N 3.29Å; Q172-F174 PolarHBondContact O-N 3.32Å; F174-D176 VanDerWaalsContact C-N 3.33Å; F174-D176 PolarHBondContact O-N 2.94Å; F174-T177 PolarHBondContact O-N 3.25Å; F174-H178 AromaticContact CD2-CD2 3.63Å; F174-H178 AromaticContact CD2-NE2 3.74Å; F174-H178 AromaticContact CE1-CD2 3.78Å; F174-H178 AromaticContact CE2-CD2 3.36Å; F174-H178 WeakPolarHBondContact CE2-CD2 3.26Å; F174-H178 AromaticContact CE2-NE2 3.27Å; F174-H178 VanDerWaalsContact CE2-NE2 3.27Å; F174-H178 WeakPolarHBondContact CE2-NE2 3.26Å; F174-H178 AromaticContact CG-CD2 3.96Å; F174-H178 AromaticContact CZ-CD2 3.44Å; F174-H178 VanDerWaalsContact CZ-CD2 3.44Å; F174-H178 WeakPolarHBondContact CZ-CD2 3.21Å; F174-H178 AromaticContact CZ-NE2 3.7Å; F174-H178 PolarHBondContact O-CD2 3.44Å; F174-H178 PolarHBondContact O-N 3.06Å; F174-H178 VanDerWaalsContact O-N 3.09Å; F174-L180 HydrophobicContact CE1-CD1 4.45Å
175	A	92.7	Very high	92.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-40.5	177.9	0	0	0	0	0	112.2	I171 Q172 H178 S179 L180 L183 F184	I171-A175 WeakPolarHBondContact O-CB 3.47Å; I171-A175 PolarHBondContact O-N 2.85Å; Q172-A175 WeakPolarHBondContact O-CB 3.46Å; Q172-A175 PolarHBondContact O-N 3.27Å; Q172-A175 VanDerWaalsContact O-N 3.15Å; A175-H178 CarbonylContact O-C 3.54Å; A175-S179 PolarHBondContact O-N 3.48Å; A175-L180 HydrophobicContact CB-CB 4.01Å; A175-L180 PolarHBondContact O-N 3.07Å; A175-L183 HydrophobicContact CB-CB 4.1Å; A175-L183 HydrophobicContact CB-CD2 4.05Å; A175-L183 HydrophobicContact CB-CG 4Å; A175-F184 HydrophobicContact CB-CB 4.01Å
176	D	92.3	Very high	92.2	Very high	103 Å²	103	47.9 Å²	47.9	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-66	-49	177.1	-166.7	36.2	0	0	0	111.7	Q172 R173 F174 H178 S179 F184	Q172-D176 PolarHBondContact O-N 3.36Å; R173-D176 PolarHBondContact O-N 3.37Å; F174-D176 VanDerWaalsContact C-N 3.33Å; F174-D176 PolarHBondContact O-N 2.94Å; D176-H178 PolarHBondContact O-N 3.43Å; D176-H178 VanDerWaalsContact O-N 3.14Å; D176-S179 PolarHBondContact O-N 3.44Å; D176-F184 HydrophobicContact CB-CD2 3.83Å; D176-F184 HydrophobicContact CB-CE2 3.9Å
177	T	90.9	Very high	92.3	Very high	109 Å²	109	47 Å²	47	67%	0.669	25%	0.249	S	C	*	.	H	α-helix	trans	-54.9	-36.6	177.8	-56.7	0	0	0	0	112.1	R173 F174	R173-T177 WeakPolarHBondContact O-CB 3.39Å; R173-T177 PolarHBondContact O-N 3.41Å; R173-T177 PolarHBondContact O-OG1 3.3Å; F174-T177 PolarHBondContact O-N 3.25Å
178	H	88.5	Confident	92.4	Very high	56 Å²	56	48 Å²	48	26%	0.259	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	12.1	179.3	-63.4	-65.9	0	0	0	114.6	F140 F174 A175 D176 L180	F140-H178 HydrophobicContact CE1-CB 3.61Å; F140-H178 AromaticContact CE1-CG 3.58Å; F140-H178 AromaticContact CE1-ND1 3.99Å; F140-H178 HydrophobicContact CZ-CB 4.07Å; F174-H178 AromaticContact CD2-CD2 3.63Å; F174-H178 AromaticContact CD2-NE2 3.74Å; F174-H178 AromaticContact CE1-CD2 3.78Å; F174-H178 AromaticContact CE2-CD2 3.36Å; F174-H178 WeakPolarHBondContact CE2-CD2 3.26Å; F174-H178 AromaticContact CE2-NE2 3.27Å; F174-H178 VanDerWaalsContact CE2-NE2 3.27Å; F174-H178 WeakPolarHBondContact CE2-NE2 3.26Å; F174-H178 AromaticContact CG-CD2 3.96Å; F174-H178 AromaticContact CZ-CD2 3.44Å; F174-H178 VanDerWaalsContact CZ-CD2 3.44Å; F174-H178 WeakPolarHBondContact CZ-CD2 3.21Å; F174-H178 AromaticContact CZ-NE2 3.7Å; F174-H178 PolarHBondContact O-CD2 3.44Å; F174-H178 PolarHBondContact O-N 3.06Å; F174-H178 VanDerWaalsContact O-N 3.09Å; A175-H178 CarbonylContact O-C 3.54Å; D176-H178 PolarHBondContact O-N 3.43Å; D176-H178 VanDerWaalsContact O-N 3.14Å; H178-L180 HydrophobicContact CB-CG 4.33Å; H178-L180 PolarHBondContact O-N 2.8Å
179	S	89.5	Confident	92.4	Very high	97 Å²	97	52 Å²	52	68%	0.678	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	30.7	178.2	-61.1	0	0	0	0	115	A175 D176 K181	A175-S179 PolarHBondContact O-N 3.48Å; D176-S179 PolarHBondContact O-N 3.44Å; S179-K181 PolarHBondContact O-N 3.03Å; S179-K181 VanDerWaalsContact O-N 3.1Å
180	L	89.4	Confident	92.5	Very high	18 Å²	18	54 Å²	54	9%	0.094	28%	0.282	C	S	.	.			trans	-82.1	74.4	175.2	-64.9	179	0	0	0	111.6	F140 A156 F174 A175 H178 T182 L183 F184	F140-L180 HydrophobicContact CE1-CD1 4.44Å; F140-L180 HydrophobicContact CE2-CD1 3.56Å; F140-L180 HydrophobicContact CE2-CD2 4Å; F140-L180 HydrophobicContact CE2-CG 4.21Å; F140-L180 HydrophobicContact CZ-CD1 3.53Å; F140-L180 HydrophobicContact CZ-CD2 3.75Å; F140-L180 HydrophobicContact CZ-CG 3.81Å; A156-L180 HydrophobicContact CB-CD1 4.25Å; F174-L180 HydrophobicContact CE1-CD1 4.45Å; A175-L180 HydrophobicContact CB-CB 4.01Å; A175-L180 PolarHBondContact O-N 3.07Å; H178-L180 HydrophobicContact CB-CG 4.33Å; H178-L180 PolarHBondContact O-N 2.8Å; L180-T182 VanDerWaalsContact C-N 3.31Å; L180-T182 PolarHBondContact O-N 3.14Å; L180-L183 HydrophobicContact CB-CB 4.11Å; L180-L183 HydrophobicContact CD1-CD2 3.87Å; L180-L183 PolarHBondContact O-N 3.33Å; L180-F184 WeakPolarHBondContact O-CB 3.42Å; L180-F184 PolarHBondContact O-N 3.4Å
181	K	92.3	Very high	92.6	Very high	170 Å²	170	54 Å²	54	74%	0.739	28%	0.281	S	S	*	.	H	α-helix	trans	-54.6	-40.8	-174.3	-64.1	-176.1	178.5	-177.3	0	114.5	S179 T185	S179-K181 PolarHBondContact O-N 3.03Å; S179-K181 VanDerWaalsContact O-N 3.1Å; K181-T185 PolarHBondContact O-N 2.98Å; K181-T185 PolarHBondContact O-OG1 3.06Å; K181-T185 VanDerWaalsContact O-OG1 3.08Å
182	T	92.8	Very high	92.6	Very high	108 Å²	108	54.4 Å²	54.4	66%	0.663	28%	0.284	S	S	*	.	H	α-helix	trans	-67.5	-45.2	-178.5	48.8	0	0	0	0	112.2	L180 K186	L180-T182 VanDerWaalsContact C-N 3.31Å; L180-T182 PolarHBondContact O-N 3.14Å; T182-K186 WeakPolarHBondContact O-CG 3.3Å; T182-K186 PolarHBondContact O-N 2.77Å; T182-K186 VanDerWaalsContact O-N 3.16Å
183	L	92.7	Very high	92.6	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-44.6	176.2	-177.9	60.4	0	0	0	110.2	L159 E160 I171 A175 L180 T185 K186 C187	L159-L183 HydrophobicContact CB-CD2 4.03Å; L159-L183 HydrophobicContact CD1-CD2 4.03Å; E160-L183 HydrophobicContact CB-CD1 3.96Å; E160-L183 HydrophobicContact CG-CD1 4.48Å; I171-L183 HydrophobicContact CG2-CD1 4.28Å; I171-L183 HydrophobicContact CG2-CD2 4.01Å; I171-L183 HydrophobicContact CG2-CG 4.22Å; A175-L183 HydrophobicContact CB-CB 4.1Å; A175-L183 HydrophobicContact CB-CD2 4.05Å; A175-L183 HydrophobicContact CB-CG 4Å; L180-L183 HydrophobicContact CB-CB 4.11Å; L180-L183 HydrophobicContact CD1-CD2 3.87Å; L180-L183 PolarHBondContact O-N 3.33Å; L183-T185 PolarHBondContact O-N 2.9Å; L183-K186 PolarHBondContact O-N 3.09Å; L183-K186 VanDerWaalsContact O-N 3.15Å; L183-C187 PolarHBondContact O-N 3.07Å; L183-C187 PolarHBondContact O-SG 2.64Å
184	F	94.3	Very high	92.6	Very high	54 Å²	54	58.1 Å²	58.1	24%	0.237	31%	0.305	C	S	.	.	H	α-helix	trans	-54.2	-50.6	176.5	-179.8	-87.9	0	0	0	112.1	Q172 A175 D176 L180 K186 C187 K188	Q172-F184 HydrophobicContact CG-CD2 3.52Å; Q172-F184 HydrophobicContact CG-CE2 3.48Å; Q172-F184 VanDerWaalsContact CG-CE2 3.48Å; Q172-F184 HydrophobicContact CG-CG 4.34Å; Q172-F184 HydrophobicContact CG-CZ 4.26Å; A175-F184 HydrophobicContact CB-CB 4.01Å; D176-F184 HydrophobicContact CB-CD2 3.83Å; D176-F184 HydrophobicContact CB-CE2 3.9Å; L180-F184 WeakPolarHBondContact O-CB 3.42Å; L180-F184 PolarHBondContact O-N 3.4Å; F184-K186 VanDerWaalsContact C-N 3.32Å; F184-K186 PolarHBondContact O-N 2.88Å; F184-C187 PolarHBondContact O-N 3.43Å; F184-K188 HydrophobicContact CE1-CD 4.35Å; F184-K188 WeakPolarHBondContact O-CB 3.45Å; F184-K188 PolarHBondContact O-N 3.43Å
185	T	94.3	Very high	92.7	Very high	73 Å²	73	57.6 Å²	57.6	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-39.4	178.5	-58	0	0	0	0	112.2	K181 L183 N189	K181-T185 PolarHBondContact O-N 2.98Å; K181-T185 PolarHBondContact O-OG1 3.06Å; K181-T185 VanDerWaalsContact O-OG1 3.08Å; L183-T185 PolarHBondContact O-N 2.9Å; T185-N189 WeakPolarHBondContact O-CB 3.48Å; T185-N189 PolarHBondContact O-N 3.36Å; T185-N189 PolarHBondContact O-ND2 2.95Å
186	K	93.6	Very high	92.7	Very high	88 Å²	88	61.7 Å²	61.7	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-66.9	-43.1	177.1	-71.7	-177.9	-177.1	-178.1	0	112.2	E160 T182 L183 F184 N189 F190	E160-K186 HydrophobicContact CG-CD 3.91Å; E160-K186 VanDerWaalsContact OE1-CD 3.27Å; E160-K186 WeakPolarHBondContact OE1-CD 3.48Å; E160-K186 WeakPolarHBondContact OE1-CE 3.18Å; E160-K186 IonicContact OE1-NZ 2.93Å; E160-K186 PolarHBondContact OE1-NZ 2.83Å; E160-K186 WeakPolarHBondContact OE2-CD 3.46Å; E160-K186 IonicContact OE2-NZ 3.23Å; E160-K186 PolarHBondContact OE2-NZ 3.3Å; T182-K186 WeakPolarHBondContact O-CG 3.3Å; T182-K186 PolarHBondContact O-N 2.77Å; T182-K186 VanDerWaalsContact O-N 3.16Å; L183-K186 PolarHBondContact O-N 3.09Å; L183-K186 VanDerWaalsContact O-N 3.15Å; F184-K186 VanDerWaalsContact C-N 3.32Å; F184-K186 PolarHBondContact O-N 2.88Å; K186-N189 PolarHBondContact O-N 3.38Å; K186-F190 WeakPolarHBondContact O-CB 3.43Å; K186-F190 PolarHBondContact O-N 3.2Å
187	C	94.6	Very high	92.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-46.7	175.3	-59.2	0	0	0	0	110.9	L163 I171 Q172 L183 F184 N189 F190 A191	L163-C187 HydrophobicContact CD2-CB 4.39Å; I171-C187 VanDerWaalsContact CG2-SG 3.59Å; Q172-C187 HydrophobicContact CB-CB 3.72Å; Q172-C187 HydrophobicContact CG-CB 4.24Å; L183-C187 PolarHBondContact O-N 3.07Å; L183-C187 PolarHBondContact O-SG 2.64Å; F184-C187 PolarHBondContact O-N 3.43Å; C187-N189 PolarHBondContact O-N 3.15Å; C187-F190 PolarHBondContact O-N 3.27Å; C187-A191 WeakPolarHBondContact O-CB 3.34Å; C187-A191 PolarHBondContact O-N 3.2Å
188	K	94.1	Very high	92.9	Very high	43 Å²	43	56 Å²	56	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-45.5	178.5	-176.6	171.3	178.7	172.3	0	111.9	F184 F190 A191 L192 D214 Y215	F184-K188 HydrophobicContact CE1-CD 4.35Å; F184-K188 WeakPolarHBondContact O-CB 3.45Å; F184-K188 PolarHBondContact O-N 3.43Å; K188-F190 PolarHBondContact O-N 3.38Å; K188-A191 PolarHBondContact O-N 2.86Å; K188-L192 HydrophobicContact CG-CD1 4.35Å; K188-L192 WeakPolarHBondContact O-CG 3.49Å; K188-L192 PolarHBondContact O-N 2.93Å; K188-D214 WeakPolarHBondContact CE-OD2 3.49Å; K188-D214 IonicContact NZ-OD1 3.64Å; K188-D214 PolarHBondContact NZ-OD1 3.28Å; K188-D214 IonicContact NZ-OD2 2.79Å; K188-D214 PolarHBondContact NZ-OD2 2.97Å; K188-Y215 HydrophobicContact CG-CE1 4.27Å
189	N	93.7	Very high	93.1	Very high	82 Å²	82	53.5 Å²	53.5	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-41.5	176.9	-71.4	-14.7	0	0	0	111.9	T185 K186 C187 L192 Q193	T185-N189 WeakPolarHBondContact O-CB 3.48Å; T185-N189 PolarHBondContact O-N 3.36Å; T185-N189 PolarHBondContact O-ND2 2.95Å; K186-N189 PolarHBondContact O-N 3.38Å; C187-N189 PolarHBondContact O-N 3.15Å; N189-L192 PolarHBondContact O-N 3.29Å; N189-Q193 WeakPolarHBondContact O-CB 3.29Å; N189-Q193 VanDerWaalsContact O-CG 3.31Å; N189-Q193 WeakPolarHBondContact O-CG 3.46Å; N189-Q193 PolarHBondContact O-N 3.42Å
190	F	94.5	Very high	93.3	Very high	49 Å²	49	53.6 Å²	53.6	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-44.3	175.7	-177.9	-89.9	0	0	0	111.7	L163 P165 C168 K186 C187 K188 L192 Q193 T194	L163-F190 HydrophobicContact CD1-CB 4.44Å; P165-F190 HydrophobicContact CG-CE1 4.17Å; P165-F190 HydrophobicContact CG-CZ 4.27Å; C168-F190 HydrophobicContact CB-CD1 3.83Å; C168-F190 HydrophobicContact CB-CE1 4.24Å; K186-F190 WeakPolarHBondContact O-CB 3.43Å; K186-F190 PolarHBondContact O-N 3.2Å; C187-F190 PolarHBondContact O-N 3.27Å; K188-F190 PolarHBondContact O-N 3.38Å; F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 PolarHBondContact O-N 3.15Å; F190-Q193 PolarHBondContact O-N 3.39Å; F190-Q193 VanDerWaalsContact O-N 3.17Å; F190-T194 HydrophobicContact CE1-CG2 4.38Å; F190-T194 WeakPolarHBondContact CE1-OG1 3.2Å; F190-T194 HydrophobicContact CE2-CG2 4.36Å; F190-T194 HydrophobicContact CZ-CG2 4.14Å; F190-T194 PolarHBondContact O-N 3.09Å; F190-T194 PolarHBondContact O-OG1 3.21Å
191	A	94.7	Very high	93.6	Very high	1 Å²	1	56 Å²	56	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-36.1	176.8	0	0	0	0	0	112.4	L169 C187 K188 F195 Y215	L169-A191 HydrophobicContact CD2-CB 4.37Å; C187-A191 WeakPolarHBondContact O-CB 3.34Å; C187-A191 PolarHBondContact O-N 3.2Å; K188-A191 PolarHBondContact O-N 2.86Å; A191-F195 WeakPolarHBondContact O-CA 3.34Å; A191-F195 WeakPolarHBondContact O-CB 3.49Å; A191-F195 PolarHBondContact O-N 3.43Å; A191-Y215 HydrophobicContact CB-CE1 3.8Å
192	L	93.5	Very high	93.5	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-37.4	172.4	-72.4	171	0	0	0	112.3	K188 N189 F190 Y215 L221 V222	K188-L192 HydrophobicContact CG-CD1 4.35Å; K188-L192 WeakPolarHBondContact O-CG 3.49Å; K188-L192 PolarHBondContact O-N 2.93Å; N189-L192 PolarHBondContact O-N 3.29Å; F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 PolarHBondContact O-N 3.15Å; L192-Y215 HydrophobicContact CD2-CD1 3.82Å; L192-Y215 HydrophobicContact CG-CD1 4.26Å; L192-L221 HydrophobicContact CD2-CB 4.24Å; L192-L221 HydrophobicContact CD2-CD1 3.58Å; L192-V222 WeakPolarHBondContact O-CB 3.42Å; L192-V222 PolarHBondContact O-N 2.83Å
193	Q	92	Very high	93.4	Very high	111 Å²	111	48.3 Å²	48.3	52%	0.519	24%	0.236	S	C	.	.	H	α-helix	trans	-73.3	-31.9	179.5	-75.8	176.5	-13.7	0	0	113.6	N189 F190 V222	N189-Q193 WeakPolarHBondContact O-CB 3.29Å; N189-Q193 VanDerWaalsContact O-CG 3.31Å; N189-Q193 WeakPolarHBondContact O-CG 3.46Å; N189-Q193 PolarHBondContact O-N 3.42Å; F190-Q193 PolarHBondContact O-N 3.39Å; F190-Q193 VanDerWaalsContact O-N 3.17Å; Q193-V222 HydrophobicContact CG-CG2 4.24Å
194	T	92.1	Very high	93.5	Very high	32 Å²	32	48.2 Å²	48.2	20%	0.196	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	26.9	-176.2	57.5	0	0	0	0	112.3	F190 E196 D197 V198	F190-T194 HydrophobicContact CE1-CG2 4.38Å; F190-T194 WeakPolarHBondContact CE1-OG1 3.2Å; F190-T194 HydrophobicContact CE2-CG2 4.36Å; F190-T194 HydrophobicContact CZ-CG2 4.14Å; F190-T194 PolarHBondContact O-N 3.09Å; F190-T194 PolarHBondContact O-OG1 3.21Å; T194-E196 PolarHBondContact O-N 3.38Å; T194-E196 VanDerWaalsContact O-N 3.14Å; T194-D197 PolarHBondContact O-N 2.92Å; T194-V198 WeakPolarHBondContact O-CG2 3.44Å; T194-V198 PolarHBondContact O-N 3.46Å
195	F	94.1	Very high	93.5	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-36.5	-171.4	-177	-100.4	0	0	0	113.5	A191 D197 V198 S199 F204 I216 L221 I223 V229 A232	A191-F195 WeakPolarHBondContact O-CA 3.34Å; A191-F195 WeakPolarHBondContact O-CB 3.49Å; A191-F195 PolarHBondContact O-N 3.43Å; F195-D197 VanDerWaalsContact C-N 3.33Å; F195-D197 PolarHBondContact O-N 3.28Å; F195-V198 PolarHBondContact O-N 3.38Å; F195-S199 VanDerWaalsContact O-CB 3.26Å; F195-S199 WeakPolarHBondContact O-CB 3.44Å; F195-S199 PolarHBondContact O-N 2.88Å; F195-S199 PolarHBondContact O-OG 3.14Å; F195-F204 AromaticContact CE2-CE2 3.72Å; F195-F204 HydrophobicContact CE2-CE2 3.72Å; F195-F204 HydrophobicContact CE2-CZ 4.3Å; F195-F204 AromaticContact CZ-CE2 3.96Å; F195-F204 HydrophobicContact CZ-CE2 3.96Å; F195-F204 HydrophobicContact CZ-CZ 4.07Å; F195-I216 HydrophobicContact CZ-CG2 4.3Å; F195-L221 HydrophobicContact CB-CD1 3.65Å; F195-L221 HydrophobicContact CB-CG 4.35Å; F195-L221 HydrophobicContact CD1-CD1 4.01Å; F195-L221 HydrophobicContact CD1-CD2 4.15Å; F195-L221 HydrophobicContact CD1-CG 4.33Å; F195-L221 HydrophobicContact CD2-CD1 3.51Å; F195-L221 HydrophobicContact CE1-CD2 4.24Å; F195-L221 HydrophobicContact CE2-CD1 4.08Å; F195-L221 HydrophobicContact CG-CD1 3.45Å; F195-L221 VanDerWaalsContact CG-CD1 3.45Å; F195-L221 HydrophobicContact CG-CD2 4.43Å; F195-L221 HydrophobicContact CG-CG 4.2Å; F195-I223 HydrophobicContact CD1-CG2 4.01Å; F195-V229 HydrophobicContact CE1-CG2 4.36Å; F195-A232 HydrophobicContact CE1-CB 3.97Å; F195-A232 HydrophobicContact CZ-CB 4.06Å
196	E	92.1	Very high	93.4	Very high	86 Å²	86	48.2 Å²	48.2	40%	0.402	23%	0.231	S	C	.	.	H	α-helix	trans	-55.6	-48.5	176.5	-172.1	171.5	166.2	0	0	111.2	T194 S199 M228	T194-E196 PolarHBondContact O-N 3.38Å; T194-E196 VanDerWaalsContact O-N 3.14Å; E196-S199 PolarHBondContact O-OG 3.47Å; E196-M228 WeakPolarHBondContact OE1-CE 3.49Å
197	D	93.7	Very high	93.4	Very high	91 Å²	91	44.1 Å²	44.1	49%	0.487	21%	0.214	S	C	.	.	H	α-helix	trans	-71.6	-45.7	178.2	-63.1	-43.4	0	0	0	111.7	P165 T194 F195 S199 Q200 H201	P165-D197 HydrophobicContact CB-CB 3.69Å; P165-D197 HydrophobicContact CG-CB 3.97Å; T194-D197 PolarHBondContact O-N 2.92Å; F195-D197 VanDerWaalsContact C-N 3.33Å; F195-D197 PolarHBondContact O-N 3.28Å; D197-S199 VanDerWaalsContact C-N 3.27Å; D197-S199 PolarHBondContact O-N 3.24Å; D197-Q200 WeakPolarHBondContact O-CB 3.44Å; D197-Q200 PolarHBondContact O-N 2.9Å; D197-Q200 VanDerWaalsContact O-N 3.1Å; D197-H201 PolarHBondContact O-CD2 2.9Å
198	V	94.1	Very high	93.3	Very high	2 Å²	2	48 Å²	48	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-41.3	-179.8	174.8	0	0	0	0	111.4	P165 C168 L169 T194 F195 Q200 H201 F204	P165-V198 HydrophobicContact CB-CG2 3.95Å; C168-V198 VanDerWaalsContact SG-CG2 3.56Å; L169-V198 HydrophobicContact CD1-CG1 3.69Å; L169-V198 HydrophobicContact CD2-CG1 4.24Å; L169-V198 HydrophobicContact CG-CG1 3.88Å; T194-V198 WeakPolarHBondContact O-CG2 3.44Å; T194-V198 PolarHBondContact O-N 3.46Å; F195-V198 PolarHBondContact O-N 3.38Å; V198-Q200 PolarHBondContact O-N 3.47Å; V198-Q200 VanDerWaalsContact O-N 3.12Å; V198-H201 PolarHBondContact O-N 3.46Å; V198-H201 VanDerWaalsContact O-N 3.14Å; V198-F204 WeakPolarHBondContact O-CB 3.35Å
199	S	93.9	Very high	93.3	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19	-178.5	73.5	0	0	0	0	114.5	F195 E196 D197	F195-S199 VanDerWaalsContact O-CB 3.26Å; F195-S199 WeakPolarHBondContact O-CB 3.44Å; F195-S199 PolarHBondContact O-N 2.88Å; F195-S199 PolarHBondContact O-OG 3.14Å; E196-S199 PolarHBondContact O-OG 3.47Å; D197-S199 VanDerWaalsContact C-N 3.27Å; D197-S199 PolarHBondContact O-N 3.24Å
200	Q	93.8	Very high	93.4	Very high	98 Å²	98	49.7 Å²	49.7	46%	0.458	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.1	179.8	-58.6	-56.7	-39.4	0	0	113.1	D197 V198 R235	D197-Q200 WeakPolarHBondContact O-CB 3.44Å; D197-Q200 PolarHBondContact O-N 2.9Å; D197-Q200 VanDerWaalsContact O-N 3.1Å; V198-Q200 PolarHBondContact O-N 3.47Å; V198-Q200 VanDerWaalsContact O-N 3.12Å; Q200-R235 PolarHBondContact O-NH2 2.98Å; Q200-R235 VanDerWaalsContact O-NH2 3.1Å
201	H	94.1	Very high	93.4	Very high	70 Å²	70	49.7 Å²	49.7	32%	0.324	24%	0.244	S	C	.	.	S	Bend	trans	-86.8	157.7	-175.1	-66.8	-67.3	0	0	0	113.1	P165 D197 V198 E203 F204	P165-H201 PolarHBondContact O-CD2 2.91Å; D197-H201 PolarHBondContact O-CD2 2.9Å; V198-H201 PolarHBondContact O-N 3.46Å; V198-H201 VanDerWaalsContact O-N 3.14Å; H201-E203 PolarHBondContact O-N 3.31Å; H201-F204 WeakPolarHBondContact O-CB 3.39Å; H201-F204 PolarHBondContact O-N 3.39Å
202	E	91.2	Very high	93.4	Very high	92 Å²	92	49.7 Å²	49.7	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-66.2	-33.8	-177.1	-72.3	-72.1	127	0	0	112.7	F204 L205 E206 R239	E202-F204 PolarHBondContact O-N 3.49Å; E202-F204 VanDerWaalsContact O-N 3.16Å; E202-L205 WeakPolarHBondContact O-CB 3.22Å; E202-L205 PolarHBondContact O-N 2.87Å; E202-E206 PolarHBondContact O-N 2.91Å; E202-R239 IonicContact OE1-NH1 2.83Å; E202-R239 IonicContact OE2-CZ 2.66Å; E202-R239 VanDerWaalsContact OE2-CZ 3.26Å; E202-R239 IonicContact OE2-NH1 3.96Å; E202-R239 PolarHBondContact OE2-NH1 2.89Å; E202-R239 IonicContact OE2-NH2 2.9Å; E202-R239 PolarHBondContact OE2-NH2 3.49Å
203	E	90.7	Very high	93.6	Very high	24 Å²	24	50.2 Å²	50.2	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-57.3	-32.7	178.6	-65.8	-168.3	164.1	0	0	112	L169 G170 H201 L205 E206	L169-E203 HydrophobicContact CB-CB 4.13Å; L169-E203 HydrophobicContact CD1-CB 4.19Å; G170-E203 PolarHBondContact N-OE2 2.92Å; H201-E203 PolarHBondContact O-N 3.31Å; E203-L205 VanDerWaalsContact C-N 3.33Å; E203-L205 PolarHBondContact O-N 3.43Å; E203-E206 PolarHBondContact O-N 3.47Å
204	F	94.4	Very high	93.7	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-36.9	175.7	-179.8	-95.9	0	0	0	112.1	L169 F195 V198 H201 E202 E206 L207 L212 A232 W236	L169-F204 HydrophobicContact CD1-CB 3.94Å; L169-F204 HydrophobicContact CD1-CD2 4.31Å; F195-F204 AromaticContact CE2-CE2 3.72Å; F195-F204 HydrophobicContact CE2-CE2 3.72Å; F195-F204 HydrophobicContact CE2-CZ 4.3Å; F195-F204 AromaticContact CZ-CE2 3.96Å; F195-F204 HydrophobicContact CZ-CE2 3.96Å; F195-F204 HydrophobicContact CZ-CZ 4.07Å; V198-F204 WeakPolarHBondContact O-CB 3.35Å; H201-F204 WeakPolarHBondContact O-CB 3.39Å; H201-F204 PolarHBondContact O-N 3.39Å; E202-F204 PolarHBondContact O-N 3.49Å; E202-F204 VanDerWaalsContact O-N 3.16Å; F204-E206 PolarHBondContact O-N 3.4Å; F204-L207 HydrophobicContact CD2-CD1 3.63Å; F204-L207 HydrophobicContact CE2-CD1 3.92Å; F204-L207 HydrophobicContact CG-CD1 4.36Å; F204-L207 WeakPolarHBondContact O-CB 3.1Å; F204-L207 WeakPolarHBondContact O-CG 3.25Å; F204-L207 PolarHBondContact O-N 3.41Å; F204-L212 HydrophobicContact CE1-CD1 4.32Å; F204-L212 HydrophobicContact CE2-CD1 3.75Å; F204-L212 HydrophobicContact CZ-CD1 3.41Å; F204-L212 VanDerWaalsContact CZ-CD1 3.41Å; F204-A232 HydrophobicContact CE1-CB 3.99Å; F204-A232 HydrophobicContact CZ-CB 3.89Å; F204-W236 HydrophobicContact CE1-CB 4.28Å
205	L	93.6	Very high	93.8	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-18.6	178.7	-55.6	-179.6	0	0	0	112.8	E202 E203 R235 R239 R244	E202-L205 WeakPolarHBondContact O-CB 3.22Å; E202-L205 PolarHBondContact O-N 2.87Å; E203-L205 VanDerWaalsContact C-N 3.33Å; E203-L205 PolarHBondContact O-N 3.43Å; L205-R235 HydrophobicContact CD2-CB 4.39Å; L205-R235 HydrophobicContact CD2-CG 3.76Å; L205-R239 HydrophobicContact CB-CG 4.25Å; L205-R244 PolarHBondContact O-NH1 3.02Å; L205-R244 PolarHBondContact O-NH2 3.42Å
206	E	92.9	Very high	93.8	Very high	117 Å²	117	46.4 Å²	46.4	55%	0.547	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.6	176.4	-62.9	-176	174.6	0	0	113.4	R173 E202 E203 F204	R173-E206 IonicContact NH1-OE2 3.97Å; R173-E206 VanDerWaalsContact NH2-C 3.35Å; R173-E206 PolarHBondContact NH2-O 3.44Å; E202-E206 PolarHBondContact O-N 2.91Å; E203-E206 PolarHBondContact O-N 3.47Å; F204-E206 PolarHBondContact O-N 3.4Å
207	L	93.6	Very high	93.9	Very high	3 Å²	3	45 Å²	45	2%	0.016	23%	0.227	C	C	.	.			trans	-56.2	140.6	174	-67.3	179.3	0	0	0	111.1	L169 R173 F204 E211 Y215 W236	L169-L207 HydrophobicContact CD1-CD1 4.08Å; L169-L207 HydrophobicContact CD1-CD2 4.16Å; L169-L207 HydrophobicContact CD1-CG 4.2Å; L169-L207 HydrophobicContact CD2-CD2 4.37Å; R173-L207 VanDerWaalsContact NH2-CA 3.28Å; F204-L207 HydrophobicContact CD2-CD1 3.63Å; F204-L207 HydrophobicContact CE2-CD1 3.92Å; F204-L207 HydrophobicContact CG-CD1 4.36Å; F204-L207 WeakPolarHBondContact O-CB 3.1Å; F204-L207 WeakPolarHBondContact O-CG 3.25Å; F204-L207 PolarHBondContact O-N 3.41Å; L207-E211 WeakPolarHBondContact CA-OE2 3.47Å; L207-E211 HydrophobicContact CB-CB 4.33Å; L207-E211 HydrophobicContact CD2-CB 4.11Å; L207-E211 WeakPolarHBondContact CD2-OE2 3.32Å; L207-Y215 HydrophobicContact CD1-CD2 4.19Å; L207-Y215 HydrophobicContact CD1-CE2 4.17Å; L207-W236 WeakPolarHBondContact O-CZ2 2.94Å; L207-W236 PolarHBondContact O-NE1 3.4Å
208	D	93.3	Very high	93.8	Very high	82 Å²	82	41.9 Å²	41.9	44%	0.439	21%	0.212	S	C	.	.			trans	-73.8	174.9	167.2	75	41.5	0	0	0	111	D210 E211 L212	D208-D210 PolarHBondContact OD1-N 2.96Å; D208-E211 PolarHBondContact N-OE2 2.77Å; D208-E211 WeakPolarHBondContact OD1-CB 3.3Å; D208-E211 WeakPolarHBondContact OD1-CG 3.3Å; D208-E211 PolarHBondContact OD1-N 2.79Å; D208-L212 WeakPolarHBondContact O-CB 3.44Å; D208-L212 PolarHBondContact O-N 2.96Å; D208-L212 VanDerWaalsContact O-N 3.11Å
209	K	94.3	Very high	93.5	Very high	53 Å²	53	45.9 Å²	45.9	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-44.5	-176.9	-170.6	-161.1	75.8	161.8	0	111.7	L212 I213 L247 E250	K209-L212 PolarHBondContact O-N 3.14Å; K209-I213 HydrophobicContact CD-CD1 4.27Å; K209-I213 HydrophobicContact CG-CD1 4.01Å; K209-I213 VanDerWaalsContact O-CG1 3.29Å; K209-I213 WeakPolarHBondContact O-CG1 3.45Å; K209-I213 PolarHBondContact O-N 3.18Å; K209-L247 HydrophobicContact CB-CD1 4.33Å; K209-L247 HydrophobicContact CD-CD1 4.08Å; K209-L247 HydrophobicContact CD-CD2 3.87Å; K209-L247 HydrophobicContact CD-CG 4.37Å; K209-L247 HydrophobicContact CG-CD1 4.11Å; K209-E250 WeakPolarHBondContact CD-OE2 3.46Å; K209-E250 IonicContact NZ-OE1 2.71Å; K209-E250 PolarHBondContact NZ-OE1 3.34Å; K209-E250 IonicContact NZ-OE2 2.67Å; K209-E250 PolarHBondContact NZ-OE2 3.41Å
210	D	94.9	Very high	93.1	Very high	107 Å²	107	50.5 Å²	50.5	57%	0.572	26%	0.255	S	S	*	.	H	α-helix	trans	-77.2	-37.7	-170.8	-62.2	-37	0	0	0	110.4	D208 I213 D214	D208-D210 PolarHBondContact OD1-N 2.96Å; D210-I213 PolarHBondContact O-N 2.75Å; D210-D214 WeakPolarHBondContact O-CB 3.39Å; D210-D214 PolarHBondContact O-N 3.43Å
211	E	94	Very high	93	Very high	49 Å²	49	45.9 Å²	45.9	23%	0.229	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-47.6	168.6	-72	179.9	134.3	0	0	111	R173 L207 D208 D214 Y215	R173-E211 IonicContact CZ-OE2 3.26Å; R173-E211 IonicContact NE-OE1 2.76Å; R173-E211 PolarHBondContact NE-OE1 2.8Å; R173-E211 IonicContact NE-OE2 3.88Å; R173-E211 IonicContact NH2-OE1 3.98Å; R173-E211 IonicContact NH2-OE2 4Å; R173-E211 PolarHBondContact NH2-OE2 3.3Å; L207-E211 WeakPolarHBondContact CA-OE2 3.47Å; L207-E211 HydrophobicContact CB-CB 4.33Å; L207-E211 HydrophobicContact CD2-CB 4.11Å; L207-E211 WeakPolarHBondContact CD2-OE2 3.32Å; D208-E211 PolarHBondContact N-OE2 2.77Å; D208-E211 WeakPolarHBondContact OD1-CB 3.3Å; D208-E211 WeakPolarHBondContact OD1-CG 3.3Å; D208-E211 PolarHBondContact OD1-N 2.79Å; E211-D214 PolarHBondContact O-N 2.95Å; E211-Y215 WeakPolarHBondContact O-CD2 3.36Å; E211-Y215 PolarHBondContact O-N 3.41Å
212	L	95.7	Very high	92.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-44.7	178.9	178.6	61.3	0	0	0	111.8	F204 D208 K209 D214 Y215 I216 W236 L251	F204-L212 HydrophobicContact CE1-CD1 4.32Å; F204-L212 HydrophobicContact CE2-CD1 3.75Å; F204-L212 HydrophobicContact CZ-CD1 3.41Å; F204-L212 VanDerWaalsContact CZ-CD1 3.41Å; D208-L212 WeakPolarHBondContact O-CB 3.44Å; D208-L212 PolarHBondContact O-N 2.96Å; D208-L212 VanDerWaalsContact O-N 3.11Å; K209-L212 PolarHBondContact O-N 3.14Å; L212-D214 VanDerWaalsContact C-N 3.3Å; L212-D214 PolarHBondContact O-N 3.31Å; L212-Y215 PolarHBondContact O-N 3.46Å; L212-I216 HydrophobicContact CD1-CG2 3.97Å; L212-I216 HydrophobicContact CG-CG2 4.44Å; L212-I216 WeakPolarHBondContact O-CG1 3.34Å; L212-I216 PolarHBondContact O-N 3.33Å; L212-W236 HydrophobicContact CD2-CB 4.08Å; L212-W236 HydrophobicContact CD2-CD2 3.53Å; L212-W236 HydrophobicContact CD2-CE3 3.85Å; L212-W236 HydrophobicContact CD2-CG 3.64Å; L212-W236 HydrophobicContact CD2-CZ3 4.5Å; L212-L251 HydrophobicContact CD2-CD1 4.16Å; L212-L251 HydrophobicContact CD2-CD2 3.84Å; L212-L251 HydrophobicContact CG-CD2 4.2Å
213	I	96.3	Very high	92.7	Very high	22 Å²	22	40.8 Å²	40.8	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-43.9	177.7	-74.2	171	0	0	0	110.8	K209 D210 Y215 I216 C217 E250 L251	K209-I213 HydrophobicContact CD-CD1 4.27Å; K209-I213 HydrophobicContact CG-CD1 4.01Å; K209-I213 VanDerWaalsContact O-CG1 3.29Å; K209-I213 WeakPolarHBondContact O-CG1 3.45Å; K209-I213 PolarHBondContact O-N 3.18Å; D210-I213 PolarHBondContact O-N 2.75Å; I213-Y215 PolarHBondContact O-N 2.93Å; I213-I216 PolarHBondContact O-N 3.08Å; I213-C217 VanDerWaalsContact O-CB 3.25Å; I213-C217 WeakPolarHBondContact O-CB 3.24Å; I213-C217 PolarHBondContact O-N 3.33Å; I213-C217 PolarHBondContact O-SG 3.38Å; I213-E250 HydrophobicContact CD1-CG 4.19Å; I213-L251 HydrophobicContact CD1-CD2 4.31Å; I213-L251 HydrophobicContact CG1-CD2 3.7Å
214	D	94.5	Very high	92.4	Very high	62 Å²	62	41.8 Å²	41.8	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-57.3	-34.2	179.1	-175.6	35.1	0	0	0	112.6	K188 D210 E211 L212	K188-D214 WeakPolarHBondContact CE-OD2 3.49Å; K188-D214 IonicContact NZ-OD1 3.64Å; K188-D214 PolarHBondContact NZ-OD1 3.28Å; K188-D214 IonicContact NZ-OD2 2.79Å; K188-D214 PolarHBondContact NZ-OD2 2.97Å; D210-D214 WeakPolarHBondContact O-CB 3.39Å; D210-D214 PolarHBondContact O-N 3.43Å; E211-D214 PolarHBondContact O-N 2.95Å; L212-D214 VanDerWaalsContact C-N 3.3Å; L212-D214 PolarHBondContact O-N 3.31Å
215	Y	94.4	Very high	92.2	Very high	4 Å²	4	48 Å²	48	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-76.1	-54.4	171.7	-70.2	-71.2	0	0	0	113.2	L169 Q172 K188 A191 L192 L207 E211 L212 I213 C217 S218	L169-Y215 HydrophobicContact CD2-CE2 4.03Å; L169-Y215 WeakPolarHBondContact CD2-OH 3.21Å; Q172-Y215 PolarHBondContact NE2-OH 2.68Å; Q172-Y215 PolarHBondContact OE1-OH 2.95Å; K188-Y215 HydrophobicContact CG-CE1 4.27Å; A191-Y215 HydrophobicContact CB-CE1 3.8Å; L192-Y215 HydrophobicContact CD2-CD1 3.82Å; L192-Y215 HydrophobicContact CG-CD1 4.26Å; L207-Y215 HydrophobicContact CD1-CD2 4.19Å; L207-Y215 HydrophobicContact CD1-CE2 4.17Å; E211-Y215 WeakPolarHBondContact O-CD2 3.36Å; E211-Y215 PolarHBondContact O-N 3.41Å; L212-Y215 PolarHBondContact O-N 3.46Å; I213-Y215 PolarHBondContact O-N 2.93Å; Y215-C217 VanDerWaalsContact C-N 3.29Å; Y215-C217 PolarHBondContact O-N 3.14Å; Y215-S218 WeakPolarHBondContact O-CB 3.37Å; Y215-S218 PolarHBondContact O-N 2.82Å
216	I	94.7	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-25.8	-170.1	64.6	177.2	0	0	0	112.7	F195 L212 I213 S218 V229 V233 L251 H254 R306	F195-I216 HydrophobicContact CZ-CG2 4.3Å; L212-I216 HydrophobicContact CD1-CG2 3.97Å; L212-I216 HydrophobicContact CG-CG2 4.44Å; L212-I216 WeakPolarHBondContact O-CG1 3.34Å; L212-I216 PolarHBondContact O-N 3.33Å; I213-I216 PolarHBondContact O-N 3.08Å; I216-S218 VanDerWaalsContact C-N 3.33Å; I216-V229 HydrophobicContact CB-CG1 4.06Å; I216-V229 HydrophobicContact CG2-CG1 3.92Å; I216-V233 HydrophobicContact CD1-CG2 3.96Å; I216-V233 HydrophobicContact CG2-CG2 3.97Å; I216-L251 HydrophobicContact CD1-CB 4.34Å; I216-L251 HydrophobicContact CD1-CD2 3.93Å; I216-H254 HydrophobicContact CD1-CB 3.88Å; I216-H254 HydrophobicContact CG1-CB 3.78Å; I216-R306 VanDerWaalsContact O-CZ 3.31Å; I216-R306 PolarHBondContact O-NH1 3.26Å; I216-R306 PolarHBondContact O-NH2 2.73Å
217	C	93.6	Very high	92.2	Very high	56 Å²	56	43.4 Å²	43.4	38%	0.378	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.5	176.2	76.8	0	0	0	0	113.2	I213 Y215 D219 H254	I213-C217 VanDerWaalsContact O-CB 3.25Å; I213-C217 WeakPolarHBondContact O-CB 3.24Å; I213-C217 PolarHBondContact O-N 3.33Å; I213-C217 PolarHBondContact O-SG 3.38Å; Y215-C217 VanDerWaalsContact C-N 3.29Å; Y215-C217 PolarHBondContact O-N 3.14Å; C217-D219 PolarHBondContact O-N 3.33Å; C217-H254 HydrophobicContact CB-CB 4.31Å
218	S	91.8	Very high	92.3	Very high	25 Å²	25	45.5 Å²	45.5	18%	0.175	25%	0.245	C	C	.	.			trans	-68.1	127.8	-172.2	-178	0	0	0	0	113.2	Y215 I216 E220 L221 R306	Y215-S218 WeakPolarHBondContact O-CB 3.37Å; Y215-S218 PolarHBondContact O-N 2.82Å; I216-S218 VanDerWaalsContact C-N 3.33Å; S218-E220 PolarHBondContact O-N 3.39Å; S218-E220 PolarHBondContact OG-N 3.33Å; S218-L221 WeakPolarHBondContact O-CB 3.47Å; S218-L221 PolarHBondContact O-N 2.9Å; S218-R306 PolarHBondContact O-NH1 3.31Å
219	D	87.2	Confident	92.4	Very high	87 Å²	87	41.6 Å²	41.6	47%	0.465	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.4	171.7	-78.7	-40	0	0	0	113.3	C217 R256 R307	C217-D219 PolarHBondContact O-N 3.33Å; D219-R256 IonicContact OD1-CZ 3.84Å; D219-R256 VanDerWaalsContact OD1-CZ 3.28Å; D219-R256 IonicContact OD1-NH1 3.3Å; D219-R256 PolarHBondContact OD1-NH1 3.5Å; D219-R256 VanDerWaalsContact OD1-NH1 3.09Å; D219-R256 IonicContact OD1-NH2 3.89Å; D219-R256 PolarHBondContact OD1-NH2 3.3Å; D219-R307 PolarHBondContact O-N 3.22Å
220	E	86.6	Confident	92.5	Very high	100 Å²	100	39.3 Å²	39.3	47%	0.467	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1	-178.7	-58.5	-61.4	146.9	0	0	112.9	S218 V222 R307	S218-E220 PolarHBondContact O-N 3.39Å; S218-E220 PolarHBondContact OG-N 3.33Å; E220-V222 PolarHBondContact O-N 2.97Å; E220-R307 WeakPolarHBondContact OE1-CD 3.41Å; E220-R307 IonicContact OE1-CZ 3.66Å; E220-R307 VanDerWaalsContact OE1-CZ 3.32Å; E220-R307 IonicContact OE1-NE 3.17Å; E220-R307 IonicContact OE1-NH1 3.26Å; E220-R307 PolarHBondContact OE1-NH1 3.19Å
221	L	91.4	Very high	92.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.			trans	-60	123.4	175.8	-172.9	75.5	0	0	0	110.4	L192 F195 S218 I223 V229 S308	L192-L221 HydrophobicContact CD2-CB 4.24Å; L192-L221 HydrophobicContact CD2-CD1 3.58Å; F195-L221 HydrophobicContact CB-CD1 3.65Å; F195-L221 HydrophobicContact CB-CG 4.35Å; F195-L221 HydrophobicContact CD1-CD1 4.01Å; F195-L221 HydrophobicContact CD1-CD2 4.15Å; F195-L221 HydrophobicContact CD1-CG 4.33Å; F195-L221 HydrophobicContact CD2-CD1 3.51Å; F195-L221 HydrophobicContact CE1-CD2 4.24Å; F195-L221 HydrophobicContact CE2-CD1 4.08Å; F195-L221 HydrophobicContact CG-CD1 3.45Å; F195-L221 VanDerWaalsContact CG-CD1 3.45Å; F195-L221 HydrophobicContact CG-CD2 4.43Å; F195-L221 HydrophobicContact CG-CG 4.2Å; S218-L221 WeakPolarHBondContact O-CB 3.47Å; S218-L221 PolarHBondContact O-N 2.9Å; L221-I223 HydrophobicContact CD2-CG2 4.13Å; L221-I223 HydrophobicContact CG-CG2 4.12Å; L221-I223 PolarHBondContact O-N 2.93Å; L221-V229 HydrophobicContact CD2-CG2 3.64Å; L221-S308 WeakPolarHBondContact O-CB 3.3Å; L221-S308 PolarHBondContact O-OG 3.06Å
222	V	88.8	Confident	92.6	Very high	50 Å²	50	36.1 Å²	36.1	30%	0.303	20%	0.197	S	C	.	.			trans	-90.7	106.5	-177.3	-174.3	0	0	0	0	110.7	L192 Q193 E220 S308	L192-V222 WeakPolarHBondContact O-CB 3.42Å; L192-V222 PolarHBondContact O-N 2.83Å; Q193-V222 HydrophobicContact CG-CG2 4.24Å; E220-V222 PolarHBondContact O-N 2.97Å; V222-S308 VanDerWaalsContact CA-CB 3.41Å; V222-S308 WeakPolarHBondContact CA-OG 3.41Å
223	I	88.9	Confident	92.7	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	20%	0.197	C	C	.	.			trans	-141.8	147.5	178.7	59.8	176.1	0	0	0	110.1	F195 L221 K225 E226 V229 R306 S308 T309	F195-I223 HydrophobicContact CD1-CG2 4.01Å; L221-I223 HydrophobicContact CD2-CG2 4.13Å; L221-I223 HydrophobicContact CG-CG2 4.12Å; L221-I223 PolarHBondContact O-N 2.93Å; I223-K225 WeakPolarHBondContact CD1-O 3.47Å; I223-E226 WeakPolarHBondContact CD1-OE2 3.35Å; I223-V229 HydrophobicContact CD1-CG2 3.34Å; I223-V229 HydrophobicContact CG2-CG2 4.23Å; I223-R306 VanDerWaalsContact CD1-CD 3.48Å; I223-S308 PolarHBondContact N-OG 3.41Å; I223-S308 VanDerWaalsContact N-OG 3.16Å; I223-S308 PolarHBondContact O-OG 2.89Å; I223-T309 HydrophobicContact CG1-CG2 4.36Å
224	G	84.6	Confident	92.7	Very high	45 Å²	45	35.5 Å²	35.5	46%	0.464	19%	0.193	S	C	.	.	S	Bend	trans	-73.8	-33.8	172.5	0	0	0	0	0	113
225	K	90.2	Very high	92.7	Very high	133 Å²	133	37 Å²	37	58%	0.578	19%	0.194	S	C	*	.			trans	-151.8	150	-177.9	-37	176.5	178.2	167.9	0	111.6	I223 E227 M228	I223-K225 WeakPolarHBondContact CD1-O 3.47Å; K225-E227 WeakPolarHBondContact CB-OE2 3.34Å; K225-E227 PolarHBondContact O-N 3.12Å; K225-M228 PolarHBondContact O-N 3.47Å
226	E	93.6	Very high	92.8	Very high	7 Å²	7	37 Å²	37	3%	0.033	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.2	-177.4	-166.1	71.8	-171.6	0	0	112.6	I223 M228 V229 F230 V255 R256 L260 R306	I223-E226 WeakPolarHBondContact CD1-OE2 3.35Å; E226-M228 PolarHBondContact O-N 3.16Å; E226-V229 WeakPolarHBondContact O-CB 3.31Å; E226-V229 PolarHBondContact O-N 2.94Å; E226-F230 PolarHBondContact O-N 3.21Å; E226-V255 HydrophobicContact CG-CG1 4.41Å; E226-R256 HydrophobicContact CG-CB 3.8Å; E226-R256 WeakPolarHBondContact OE1-CB 3.13Å; E226-R256 WeakPolarHBondContact OE1-CG 3.43Å; E226-R256 PolarHBondContact OE1-N 2.89Å; E226-L260 VanDerWaalsContact C-CD2 3.47Å; E226-L260 HydrophobicContact CB-CD2 3.89Å; E226-L260 HydrophobicContact CG-CD2 4.14Å; E226-R306 IonicContact OE1-CZ 3.67Å; E226-R306 IonicContact OE1-NE 3.89Å; E226-R306 PolarHBondContact OE1-NE 3.2Å; E226-R306 IonicContact OE1-NH2 3.9Å; E226-R306 PolarHBondContact OE1-NH2 3.41Å; E226-R306 IonicContact OE2-CZ 3.63Å; E226-R306 IonicContact OE2-NE 2.77Å; E226-R306 PolarHBondContact OE2-NE 3.24Å; E226-R306 IonicContact OE2-NH2 3.94Å
227	E	94.8	Very high	92.9	Very high	22 Å²	22	37 Å²	37	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-52.9	-37.8	173.5	-69.2	81	172.3	0	0	111.6	K225 V229 F230 E231 L260 H261 Y264	K225-E227 WeakPolarHBondContact CB-OE2 3.34Å; K225-E227 PolarHBondContact O-N 3.12Å; E227-V229 VanDerWaalsContact C-N 3.31Å; E227-V229 PolarHBondContact O-N 2.7Å; E227-F230 WeakPolarHBondContact O-CB 3.25Å; E227-F230 PolarHBondContact O-N 2.6Å; E227-E231 WeakPolarHBondContact O-CG 3.4Å; E227-E231 PolarHBondContact O-N 3.35Å; E227-L260 HydrophobicContact CB-CD2 4.25Å; E227-L260 HydrophobicContact CG-CD2 3.83Å; E227-L260 VanDerWaalsContact N-CD2 3.28Å; E227-H261 VanDerWaalsContact OE1-CB 3.29Å; E227-H261 WeakPolarHBondContact OE1-CB 3.43Å; E227-H261 PolarHBondContact OE1-N 2.83Å; E227-Y264 HydrophobicContact CB-CD1 4.31Å; E227-Y264 HydrophobicContact CB-CE1 4.02Å; E227-Y264 HydrophobicContact CG-CD1 3.44Å; E227-Y264 VanDerWaalsContact CG-CD1 3.44Å; E227-Y264 HydrophobicContact CG-CD2 4.04Å; E227-Y264 HydrophobicContact CG-CE1 3.66Å; E227-Y264 HydrophobicContact CG-CE2 4.25Å; E227-Y264 HydrophobicContact CG-CG 3.63Å
228	M	93.7	Very high	92.9	Very high	47 Å²	47	39.9 Å²	39.9	23%	0.232	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-36	179	-60.7	-56.4	-173.2	0	0	112.4	E196 K225 E226 A232	E196-M228 WeakPolarHBondContact OE1-CE 3.49Å; K225-M228 PolarHBondContact O-N 3.47Å; E226-M228 PolarHBondContact O-N 3.16Å; M228-A232 VanDerWaalsContact O-CB 3.29Å; M228-A232 WeakPolarHBondContact O-CB 3.37Å; M228-A232 PolarHBondContact O-N 3.49Å
229	V	95.8	Very high	93	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.1	-42.4	176.5	-176.5	0	0	0	0	110.1	F195 I216 L221 I223 E226 E227 A232 V233 V255	F195-V229 HydrophobicContact CE1-CG2 4.36Å; I216-V229 HydrophobicContact CB-CG1 4.06Å; I216-V229 HydrophobicContact CG2-CG1 3.92Å; L221-V229 HydrophobicContact CD2-CG2 3.64Å; I223-V229 HydrophobicContact CD1-CG2 3.34Å; I223-V229 HydrophobicContact CG2-CG2 4.23Å; E226-V229 WeakPolarHBondContact O-CB 3.31Å; E226-V229 PolarHBondContact O-N 2.94Å; E227-V229 VanDerWaalsContact C-N 3.31Å; E227-V229 PolarHBondContact O-N 2.7Å; V229-A232 PolarHBondContact O-N 3.34Å; V229-V233 HydrophobicContact CG1-CG2 4.5Å; V229-V233 WeakPolarHBondContact O-CG2 3.49Å; V229-V233 PolarHBondContact O-N 3.17Å; V229-V255 HydrophobicContact CG1-CG2 4.19Å
230	F	96.5	Very high	93.3	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-48.1	175.3	177.2	-95.8	0	0	0	111.1	E226 E227 A232 V233 M234 L252 V255 L257 Y264 T268 V269 I275	E226-F230 PolarHBondContact O-N 3.21Å; E227-F230 WeakPolarHBondContact O-CB 3.25Å; E227-F230 PolarHBondContact O-N 2.6Å; F230-A232 PolarHBondContact O-N 2.93Å; F230-V233 PolarHBondContact O-N 2.98Å; F230-M234 HydrophobicContact CD1-CG 4.15Å; F230-M234 HydrophobicContact CD2-CG 4.31Å; F230-M234 HydrophobicContact CE1-CG 3.68Å; F230-M234 HydrophobicContact CE2-CG 3.85Å; F230-M234 HydrophobicContact CE2-SD 4.15Å; F230-M234 HydrophobicContact CG-CG 4.45Å; F230-M234 HydrophobicContact CZ-CG 3.5Å; F230-M234 VanDerWaalsContact CZ-CG 3.5Å; F230-M234 HydrophobicContact CZ-SD 4.03Å; F230-M234 WeakPolarHBondContact O-CB 3.36Å; F230-M234 VanDerWaalsContact O-CG 3.3Å; F230-M234 WeakPolarHBondContact O-CG 3.38Å; F230-M234 PolarHBondContact O-N 3.35Å; F230-L252 HydrophobicContact CD2-CD2 4.05Å; F230-L252 HydrophobicContact CE2-CD2 4.04Å; F230-V255 HydrophobicContact CB-CG1 4.13Å; F230-L257 HydrophobicContact CD2-CD2 4.01Å; F230-L257 HydrophobicContact CE2-CD2 4.48Å; F230-Y264 AromaticContact CD1-CE1 3.9Å; F230-Y264 HydrophobicContact CD1-CE1 3.9Å; F230-Y264 HydrophobicContact CE1-CE1 4.44Å; F230-T268 HydrophobicContact CE1-CG2 4.25Å; F230-V269 HydrophobicContact CD1-CG2 4.15Å; F230-V269 HydrophobicContact CD2-CG2 4.16Å; F230-V269 HydrophobicContact CE1-CG2 3.83Å; F230-V269 HydrophobicContact CE2-CB 4.29Å; F230-V269 HydrophobicContact CE2-CG1 3.79Å; F230-V269 HydrophobicContact CE2-CG2 3.84Å; F230-V269 HydrophobicContact CG-CG2 4.3Å; F230-V269 HydrophobicContact CZ-CB 4.08Å; F230-V269 HydrophobicContact CZ-CG1 4.01Å; F230-V269 HydrophobicContact CZ-CG2 3.67Å; F230-I275 HydrophobicContact CE2-CD1 3.74Å; F230-I275 HydrophobicContact CZ-CD1 3.8Å
231	E	96	Very high	93.6	Very high	88 Å²	88	40 Å²	40	41%	0.411	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-43.6	177.9	-71.6	176.4	-166.8	0	0	111.9	E227 M234 R235 Y264	E227-E231 WeakPolarHBondContact O-CG 3.4Å; E227-E231 PolarHBondContact O-N 3.35Å; E231-M234 PolarHBondContact O-N 2.84Å; E231-R235 VanDerWaalsContact O-CB 3.29Å; E231-R235 WeakPolarHBondContact O-CB 3.27Å; E231-R235 PolarHBondContact O-N 3.24Å; E231-Y264 WeakPolarHBondContact CG-OH 3.43Å; E231-Y264 PolarHBondContact OE1-OH 3.46Å
232	A	96.2	Very high	93.6	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-47.6	176.2	0	0	0	0	0	112.1	F195 F204 M228 V229 F230 R235 W236	F195-A232 HydrophobicContact CE1-CB 3.97Å; F195-A232 HydrophobicContact CZ-CB 4.06Å; F204-A232 HydrophobicContact CE1-CB 3.99Å; F204-A232 HydrophobicContact CZ-CB 3.89Å; M228-A232 VanDerWaalsContact O-CB 3.29Å; M228-A232 WeakPolarHBondContact O-CB 3.37Å; M228-A232 PolarHBondContact O-N 3.49Å; V229-A232 PolarHBondContact O-N 3.34Å; F230-A232 PolarHBondContact O-N 2.93Å; A232-R235 PolarHBondContact O-N 2.93Å; A232-W236 PolarHBondContact O-N 3.41Å
233	V	96.7	Very high	93.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-46.4	176.9	169.4	0	0	0	0	110.8	I216 V229 F230 R235 W236 V237 L251 V255	I216-V233 HydrophobicContact CD1-CG2 3.96Å; I216-V233 HydrophobicContact CG2-CG2 3.97Å; V229-V233 HydrophobicContact CG1-CG2 4.5Å; V229-V233 WeakPolarHBondContact O-CG2 3.49Å; V229-V233 PolarHBondContact O-N 3.17Å; F230-V233 PolarHBondContact O-N 2.98Å; V233-R235 PolarHBondContact O-N 3.47Å; V233-W236 WeakPolarHBondContact O-CB 3.39Å; V233-W236 PolarHBondContact O-N 2.92Å; V233-V237 HydrophobicContact CG1-CG2 4.48Å; V233-V237 WeakPolarHBondContact O-CG2 3.41Å; V233-V237 PolarHBondContact O-N 3.15Å; V233-L251 HydrophobicContact CG1-CB 3.88Å; V233-L251 HydrophobicContact CG1-CD1 4.19Å; V233-V255 HydrophobicContact CG2-CG2 3.98Å
234	M	96	Very high	94	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.044	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-40.9	179	-69.4	-56.1	-65.6	0	0	111.7	F230 E231 W236 V237 Y238 L248 D272 L274 I275	F230-M234 HydrophobicContact CD1-CG 4.15Å; F230-M234 HydrophobicContact CD2-CG 4.31Å; F230-M234 HydrophobicContact CE1-CG 3.68Å; F230-M234 HydrophobicContact CE2-CG 3.85Å; F230-M234 HydrophobicContact CE2-SD 4.15Å; F230-M234 HydrophobicContact CG-CG 4.45Å; F230-M234 HydrophobicContact CZ-CG 3.5Å; F230-M234 VanDerWaalsContact CZ-CG 3.5Å; F230-M234 HydrophobicContact CZ-SD 4.03Å; F230-M234 WeakPolarHBondContact O-CB 3.36Å; F230-M234 VanDerWaalsContact O-CG 3.3Å; F230-M234 WeakPolarHBondContact O-CG 3.38Å; F230-M234 PolarHBondContact O-N 3.35Å; E231-M234 PolarHBondContact O-N 2.84Å; M234-W236 VanDerWaalsContact C-N 3.31Å; M234-W236 PolarHBondContact O-N 3.31Å; M234-V237 PolarHBondContact O-N 2.85Å; M234-Y238 HydrophobicContact CB-CD2 4.29Å; M234-Y238 HydrophobicContact CB-CE2 4.22Å; M234-Y238 HydrophobicContact CE-CD2 4.48Å; M234-Y238 HydrophobicContact CE-CE2 3.71Å; M234-Y238 WeakPolarHBondContact O-CB 3.48Å; M234-Y238 WeakPolarHBondContact O-CD2 3.45Å; M234-Y238 PolarHBondContact O-N 3.5Å; M234-L248 HydrophobicContact SD-CD1 3.89Å; M234-D272 WeakPolarHBondContact CE-OD2 3.39Å; M234-L274 HydrophobicContact CE-CD1 4.41Å; M234-I275 HydrophobicContact SD-CD1 4.39Å
235	R	95.5	Very high	94.3	Very high	92 Å²	92	56 Å²	56	35%	0.347	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-42.7	174.5	-168.9	-168.2	167.2	89.5	-0.9	111.4	Q200 L205 E231 A232 V233 R239	Q200-R235 PolarHBondContact O-NH2 2.98Å; Q200-R235 VanDerWaalsContact O-NH2 3.1Å; L205-R235 HydrophobicContact CD2-CB 4.39Å; L205-R235 HydrophobicContact CD2-CG 3.76Å; E231-R235 VanDerWaalsContact O-CB 3.29Å; E231-R235 WeakPolarHBondContact O-CB 3.27Å; E231-R235 PolarHBondContact O-N 3.24Å; A232-R235 PolarHBondContact O-N 2.93Å; V233-R235 PolarHBondContact O-N 3.47Å; R235-R239 PolarHBondContact O-N 2.93Å
236	W	96.6	Very high	94.4	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.019	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-46.4	174.1	-174.5	96.5	0	0	0	111.5	F204 L207 L212 A232 V233 M234 Y238 R239 R244 L247 L251	F204-W236 HydrophobicContact CE1-CB 4.28Å; L207-W236 WeakPolarHBondContact O-CZ2 2.94Å; L207-W236 PolarHBondContact O-NE1 3.4Å; L212-W236 HydrophobicContact CD2-CB 4.08Å; L212-W236 HydrophobicContact CD2-CD2 3.53Å; L212-W236 HydrophobicContact CD2-CE3 3.85Å; L212-W236 HydrophobicContact CD2-CG 3.64Å; L212-W236 HydrophobicContact CD2-CZ3 4.5Å; A232-W236 PolarHBondContact O-N 3.41Å; V233-W236 WeakPolarHBondContact O-CB 3.39Å; V233-W236 PolarHBondContact O-N 2.92Å; M234-W236 VanDerWaalsContact C-N 3.31Å; M234-W236 PolarHBondContact O-N 3.31Å; W236-Y238 PolarHBondContact O-N 3.16Å; W236-R239 PolarHBondContact O-N 3.23Å; W236-R244 HydrophobicContact CE3-CB 4.3Å; W236-R244 VanDerWaalsContact CE3-CD 3.47Å; W236-R244 HydrophobicContact CE3-CG 4.08Å; W236-R244 HydrophobicContact CH2-CB 4.39Å; W236-R244 HydrophobicContact CH2-CG 3.69Å; W236-R244 HydrophobicContact CZ2-CG 4.41Å; W236-R244 VanDerWaalsContact CZ2-NE 3.33Å; W236-R244 HydrophobicContact CZ3-CB 3.75Å; W236-R244 HydrophobicContact CZ3-CG 3.48Å; W236-R244 VanDerWaalsContact CZ3-CG 3.48Å; W236-R244 WeakPolarHBondContact O-CD 3.44Å; W236-R244 PolarHBondContact O-NH1 2.87Å; W236-L247 HydrophobicContact CH2-CD1 4.12Å; W236-L251 HydrophobicContact CE3-CD1 3.77Å; W236-L251 HydrophobicContact CZ3-CD1 3.59Å
237	V	95.4	Very high	94.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-42.5	178.4	173.8	0	0	0	0	111.6	V233 M234 R239 A240 V241 R244 L248 L251 L274	V233-V237 HydrophobicContact CG1-CG2 4.48Å; V233-V237 WeakPolarHBondContact O-CG2 3.41Å; V233-V237 PolarHBondContact O-N 3.15Å; M234-V237 PolarHBondContact O-N 2.85Å; V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 2.64Å; V237-A240 CarbonylContact O-C 3.51Å; V237-A240 PolarHBondContact O-N 3.21Å; V237-V241 WeakPolarHBondContact O-CA 3.32Å; V237-V241 PolarHBondContact O-N 2.8Å; V237-R244 HydrophobicContact CG1-CB 4.29Å; V237-L248 HydrophobicContact CG2-CD1 4.08Å; V237-L251 HydrophobicContact CG2-CD1 4.03Å; V237-L274 HydrophobicContact CG1-CD1 3.97Å
238	Y	94.5	Very high	94.4	Very high	117 Å²	117	55.3 Å²	55.3	46%	0.459	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-23.2	-178.9	-79.7	-57.1	0	0	0	114.6	M234 W236 A240 V241 D272 L274	M234-Y238 HydrophobicContact CB-CD2 4.29Å; M234-Y238 HydrophobicContact CB-CE2 4.22Å; M234-Y238 HydrophobicContact CE-CD2 4.48Å; M234-Y238 HydrophobicContact CE-CE2 3.71Å; M234-Y238 WeakPolarHBondContact O-CB 3.48Å; M234-Y238 WeakPolarHBondContact O-CD2 3.45Å; M234-Y238 PolarHBondContact O-N 3.5Å; W236-Y238 PolarHBondContact O-N 3.16Å; Y238-A240 VanDerWaalsContact C-N 3.26Å; Y238-A240 PolarHBondContact O-N 3.4Å; Y238-V241 HydrophobicContact CD1-CG2 3.98Å; Y238-D272 PolarHBondContact OH-OD2 2.81Å; Y238-L274 HydrophobicContact CD1-CD1 3.88Å; Y238-L274 HydrophobicContact CE1-CD1 3.42Å; Y238-L274 VanDerWaalsContact CE1-CD1 3.42Å; Y238-L274 HydrophobicContact CE1-CG 4.15Å
239	R	93.7	Very high	94.4	Very high	136 Å²	136	56.2 Å²	56.2	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-32.5	176.4	179.6	58.6	169.3	-132.1	-11.4	112.8	E202 L205 R235 W236 V237	E202-R239 IonicContact OE1-NH1 2.83Å; E202-R239 IonicContact OE2-CZ 2.66Å; E202-R239 VanDerWaalsContact OE2-CZ 3.26Å; E202-R239 IonicContact OE2-NH1 3.96Å; E202-R239 PolarHBondContact OE2-NH1 2.89Å; E202-R239 IonicContact OE2-NH2 2.9Å; E202-R239 PolarHBondContact OE2-NH2 3.49Å; L205-R239 HydrophobicContact CB-CG 4.25Å; R235-R239 PolarHBondContact O-N 2.93Å; W236-R239 PolarHBondContact O-N 3.23Å; V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 2.64Å
240	A	93.1	Very high	94.4	Very high	31 Å²	31	59.7 Å²	59.7	26%	0.256	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146	66	180	0	0	0	0	0	110.7	V237 Y238 D242 L243 R244	V237-A240 CarbonylContact O-C 3.51Å; V237-A240 PolarHBondContact O-N 3.21Å; Y238-A240 VanDerWaalsContact C-N 3.26Å; Y238-A240 PolarHBondContact O-N 3.4Å; A240-D242 VanDerWaalsContact C-N 3.3Å; A240-D242 PolarHBondContact O-N 3.1Å; A240-L243 PolarHBondContact O-N 2.96Å; A240-L243 VanDerWaalsContact O-N 3.15Å; A240-R244 HydrophobicContact CB-CG 4.22Å; A240-R244 WeakPolarHBondContact O-CB 3.46Å; A240-R244 WeakPolarHBondContact O-CG 3.41Å; A240-R244 PolarHBondContact O-N 3.02Å
241	V	93	Very high	94.3	Very high	46 Å²	46	59.5 Å²	59.5	28%	0.279	29%	0.286	S	S	.	.	H	α-helix	trans	-50.2	-47.1	-171.8	178.9	0	0	0	0	112.4	V237 Y238 L243 R244 R245 L274	V237-V241 WeakPolarHBondContact O-CA 3.32Å; V237-V241 PolarHBondContact O-N 2.8Å; Y238-V241 HydrophobicContact CD1-CG2 3.98Å; V241-L243 VanDerWaalsContact C-N 3.32Å; V241-L243 PolarHBondContact O-N 3.26Å; V241-R244 PolarHBondContact O-N 3.18Å; V241-R245 WeakPolarHBondContact O-CB 3.48Å; V241-R245 PolarHBondContact O-N 2.78Å; V241-L274 HydrophobicContact CG1-CD1 4.3Å; V241-L274 HydrophobicContact CG1-CD2 3.71Å
242	D	91.2	Very high	94.3	Very high	157 Å²	157	55.3 Å²	55.3	84%	0.84	27%	0.266	S	S	*	.	H	α-helix	trans	-63.2	-37.6	-174.6	-60.2	-47.2	0	0	0	112.9	A240	A240-D242 VanDerWaalsContact C-N 3.3Å; A240-D242 PolarHBondContact O-N 3.1Å
243	L	93.3	Very high	94.2	Very high	142 Å²	142	57 Å²	57	74%	0.743	28%	0.276	S	S	*	.	H	α-helix	trans	-85.6	-33.5	-179	-69.6	165.8	0	0	0	112.4	A240 V241	A240-L243 PolarHBondContact O-N 2.96Å; A240-L243 VanDerWaalsContact O-N 3.15Å; V241-L243 VanDerWaalsContact C-N 3.32Å; V241-L243 PolarHBondContact O-N 3.26Å
244	R	93.8	Very high	94.1	Very high	33 Å²	33	59.8 Å²	59.8	13%	0.125	29%	0.289	C	S	.	.	H	α-helix	trans	-96.1	-20.1	-170.3	-66.2	177.8	168.5	179.2	-2.7	113.5	L205 W236 V237 A240 V241 L247 L248	L205-R244 PolarHBondContact O-NH1 3.02Å; L205-R244 PolarHBondContact O-NH2 3.42Å; W236-R244 HydrophobicContact CE3-CB 4.3Å; W236-R244 VanDerWaalsContact CE3-CD 3.47Å; W236-R244 HydrophobicContact CE3-CG 4.08Å; W236-R244 HydrophobicContact CH2-CB 4.39Å; W236-R244 HydrophobicContact CH2-CG 3.69Å; W236-R244 HydrophobicContact CZ2-CG 4.41Å; W236-R244 VanDerWaalsContact CZ2-NE 3.33Å; W236-R244 HydrophobicContact CZ3-CB 3.75Å; W236-R244 HydrophobicContact CZ3-CG 3.48Å; W236-R244 VanDerWaalsContact CZ3-CG 3.48Å; W236-R244 WeakPolarHBondContact O-CD 3.44Å; W236-R244 PolarHBondContact O-NH1 2.87Å; V237-R244 HydrophobicContact CG1-CB 4.29Å; A240-R244 HydrophobicContact CB-CG 4.22Å; A240-R244 WeakPolarHBondContact O-CB 3.46Å; A240-R244 WeakPolarHBondContact O-CG 3.41Å; A240-R244 PolarHBondContact O-N 3.02Å; V241-R244 PolarHBondContact O-N 3.18Å; R244-L247 WeakPolarHBondContact O-CA 3.29Å; R244-L247 WeakPolarHBondContact O-CB 3.49Å; R244-L247 PolarHBondContact O-N 2.72Å; R244-L248 PolarHBondContact O-N 3.23Å
245	R	91.5	Very high	94	Very high	104 Å²	104	59.4 Å²	59.4	39%	0.392	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-53.5	-43.9	177.7	176.1	-179.6	174.1	-153.4	-5.2	113.6	V241 L247 L248 N277	V241-R245 WeakPolarHBondContact O-CB 3.48Å; V241-R245 PolarHBondContact O-N 2.78Å; R245-L247 PolarHBondContact O-N 3.03Å; R245-L248 VanDerWaalsContact O-CB 3.25Å; R245-L248 WeakPolarHBondContact O-CB 3.29Å; R245-L248 PolarHBondContact O-N 3.1Å; R245-N277 PolarHBondContact NH2-O 3.38Å
246	P	92.1	Very high	94	Very high	99 Å²	99	55.5 Å²	55.5	64%	0.643	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24	177	-22.7	34.8	0	0	0	113.7
247	L	93.8	Very high	93.9	Very high	49 Å²	49	55.3 Å²	55.3	26%	0.257	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-86.8	-12.1	-178.6	-51	177.7	0	0	0	112.7	K209 W236 R244 R245 H249 E250 L251	K209-L247 HydrophobicContact CB-CD1 4.33Å; K209-L247 HydrophobicContact CD-CD1 4.08Å; K209-L247 HydrophobicContact CD-CD2 3.87Å; K209-L247 HydrophobicContact CD-CG 4.37Å; K209-L247 HydrophobicContact CG-CD1 4.11Å; W236-L247 HydrophobicContact CH2-CD1 4.12Å; R244-L247 WeakPolarHBondContact O-CA 3.29Å; R244-L247 WeakPolarHBondContact O-CB 3.49Å; R244-L247 PolarHBondContact O-N 2.72Å; R245-L247 PolarHBondContact O-N 3.03Å; L247-H249 VanDerWaalsContact C-N 3.32Å; L247-H249 PolarHBondContact O-N 3.06Å; L247-E250 PolarHBondContact O-N 3.44Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 3.42Å; L247-L251 VanDerWaalsContact O-N 3.11Å
248	L	94	Very high	93.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.2	-44	-174.9	177.2	62.8	0	0	0	112.4	M234 V237 R244 R245 E250 L251 L252 L274 I275	M234-L248 HydrophobicContact SD-CD1 3.89Å; V237-L248 HydrophobicContact CG2-CD1 4.08Å; R244-L248 PolarHBondContact O-N 3.23Å; R245-L248 VanDerWaalsContact O-CB 3.25Å; R245-L248 WeakPolarHBondContact O-CB 3.29Å; R245-L248 PolarHBondContact O-N 3.1Å; L248-E250 PolarHBondContact O-N 2.96Å; L248-L251 PolarHBondContact O-N 3.13Å; L248-L252 HydrophobicContact CD1-CD1 3.89Å; L248-L252 HydrophobicContact CD1-CD2 4.47Å; L248-L252 HydrophobicContact CD1-CG 3.92Å; L248-L252 HydrophobicContact CG-CD1 3.93Å; L248-L252 HydrophobicContact CG-CG 4.31Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.78Å; L248-L274 HydrophobicContact CD2-CB 4.02Å; L248-I275 HydrophobicContact CD2-CG1 4.05Å
249	H	93.6	Very high	93.6	Very high	67 Å²	67	51.9 Å²	51.9	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-57.9	-48.9	179	166	69.8	0	0	0	111.6	L247 L251 L252 T253 E280	L247-H249 VanDerWaalsContact C-N 3.32Å; L247-H249 PolarHBondContact O-N 3.06Å; H249-L251 PolarHBondContact O-N 3.27Å; H249-L252 PolarHBondContact O-N 2.62Å; H249-T253 VanDerWaalsContact O-CG2 3.3Å; H249-T253 WeakPolarHBondContact O-CG2 3.49Å; H249-T253 PolarHBondContact O-N 2.93Å; H249-T253 VanDerWaalsContact O-N 3.15Å; H249-E280 HydrophobicContact CB-CB 3.91Å; H249-E280 PolarHBondContact CE1-O 3.24Å; H249-E280 PolarHBondContact ND1-O 3.18Å; H249-E280 VanDerWaalsContact ND1-O 3.08Å
250	E	94.7	Very high	93.6	Very high	73 Å²	73	45.6 Å²	45.6	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-46.6	-179.3	-170.6	179.8	-179	0	0	110.7	K209 I213 L247 L248 L252 T253 H254	K209-E250 WeakPolarHBondContact CD-OE2 3.46Å; K209-E250 IonicContact NZ-OE1 2.71Å; K209-E250 PolarHBondContact NZ-OE1 3.34Å; K209-E250 IonicContact NZ-OE2 2.67Å; K209-E250 PolarHBondContact NZ-OE2 3.41Å; I213-E250 HydrophobicContact CD1-CG 4.19Å; L247-E250 PolarHBondContact O-N 3.44Å; L248-E250 PolarHBondContact O-N 2.96Å; E250-L252 PolarHBondContact O-N 3.04Å; E250-T253 WeakPolarHBondContact O-CB 3.46Å; E250-T253 PolarHBondContact O-N 3.46Å; E250-T253 PolarHBondContact O-OG1 3.25Å; E250-H254 PolarHBondContact O-CD2 3Å; E250-H254 VanDerWaalsContact O-CD2 3.31Å
251	L	95.6	Very high	93.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-45	176.7	-65.4	171.8	0	0	0	112.2	L212 I213 I216 V233 W236 V237 L247 L248 H249 T253 H254 V255	L212-L251 HydrophobicContact CD2-CD1 4.16Å; L212-L251 HydrophobicContact CD2-CD2 3.84Å; L212-L251 HydrophobicContact CG-CD2 4.2Å; I213-L251 HydrophobicContact CD1-CD2 4.31Å; I213-L251 HydrophobicContact CG1-CD2 3.7Å; I216-L251 HydrophobicContact CD1-CB 4.34Å; I216-L251 HydrophobicContact CD1-CD2 3.93Å; V233-L251 HydrophobicContact CG1-CB 3.88Å; V233-L251 HydrophobicContact CG1-CD1 4.19Å; W236-L251 HydrophobicContact CE3-CD1 3.77Å; W236-L251 HydrophobicContact CZ3-CD1 3.59Å; V237-L251 HydrophobicContact CG2-CD1 4.03Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 3.42Å; L247-L251 VanDerWaalsContact O-N 3.11Å; L248-L251 PolarHBondContact O-N 3.13Å; H249-L251 PolarHBondContact O-N 3.27Å; L251-T253 PolarHBondContact O-N 3.11Å; L251-H254 PolarHBondContact O-N 3.4Å; L251-H254 VanDerWaalsContact O-N 3.08Å; L251-V255 PolarHBondContact O-N 3.38Å
252	L	95.1	Very high	93.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-20.8	179.4	-71.7	-179.7	0	0	0	113.2	F230 L248 H249 E250 H254 V255 L257 I275 L284	F230-L252 HydrophobicContact CD2-CD2 4.05Å; F230-L252 HydrophobicContact CE2-CD2 4.04Å; L248-L252 HydrophobicContact CD1-CD1 3.89Å; L248-L252 HydrophobicContact CD1-CD2 4.47Å; L248-L252 HydrophobicContact CD1-CG 3.92Å; L248-L252 HydrophobicContact CG-CD1 3.93Å; L248-L252 HydrophobicContact CG-CG 4.31Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.78Å; H249-L252 PolarHBondContact O-N 2.62Å; E250-L252 PolarHBondContact O-N 3.04Å; L252-H254 PolarHBondContact O-N 3.3Å; L252-V255 HydrophobicContact CD2-CB 4.39Å; L252-V255 HydrophobicContact CD2-CG2 4.15Å; L252-V255 PolarHBondContact O-N 2.78Å; L252-L257 HydrophobicContact CD2-CD2 4.48Å; L252-I275 HydrophobicContact CD1-CD1 4.16Å; L252-I275 HydrophobicContact CD1-CG1 4.22Å; L252-L284 HydrophobicContact CB-CD1 3.77Å
253	T	94.5	Very high	93.7	Very high	38 Å²	38	47 Å²	47	23%	0.233	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23	173.1	71.5	0	0	0	0	113.2	H249 E250 L251 L284 R302	H249-T253 VanDerWaalsContact O-CG2 3.3Å; H249-T253 WeakPolarHBondContact O-CG2 3.49Å; H249-T253 PolarHBondContact O-N 2.93Å; H249-T253 VanDerWaalsContact O-N 3.15Å; E250-T253 WeakPolarHBondContact O-CB 3.46Å; E250-T253 PolarHBondContact O-N 3.46Å; E250-T253 PolarHBondContact O-OG1 3.25Å; L251-T253 PolarHBondContact O-N 3.11Å; T253-L284 HydrophobicContact CG2-CD1 4.14Å; T253-L284 HydrophobicContact CG2-CD2 4.33Å; T253-R302 WeakPolarHBondContact O-CD 3.24Å; T253-R302 WeakPolarHBondContact O-CG 3.46Å; T253-R302 PolarHBondContact O-NH1 3.08Å
254	H	94.6	Very high	93.8	Very high	58 Å²	58	42.3 Å²	42.3	27%	0.269	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-9.7	178.4	-59	-67.3	0	0	0	113.4	I216 C217 E250 L251 L252 R306	I216-H254 HydrophobicContact CD1-CB 3.88Å; I216-H254 HydrophobicContact CG1-CB 3.78Å; C217-H254 HydrophobicContact CB-CB 4.31Å; E250-H254 PolarHBondContact O-CD2 3Å; E250-H254 VanDerWaalsContact O-CD2 3.31Å; L251-H254 PolarHBondContact O-N 3.4Å; L251-H254 VanDerWaalsContact O-N 3.08Å; L252-H254 PolarHBondContact O-N 3.3Å; H254-R306 PolarHBondContact O-NH2 3.14Å
255	V	95.1	Very high	93.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-85.2	130.1	170.1	-175.2	0	0	0	0	109	E226 V229 F230 V233 L251 L252 L257 R302	E226-V255 HydrophobicContact CG-CG1 4.41Å; V229-V255 HydrophobicContact CG1-CG2 4.19Å; F230-V255 HydrophobicContact CB-CG1 4.13Å; V233-V255 HydrophobicContact CG2-CG2 3.98Å; L251-V255 PolarHBondContact O-N 3.38Å; L252-V255 HydrophobicContact CD2-CB 4.39Å; L252-V255 HydrophobicContact CD2-CG2 4.15Å; L252-V255 PolarHBondContact O-N 2.78Å; V255-L257 HydrophobicContact CB-CD2 4.37Å; V255-L257 HydrophobicContact CG1-CD2 3.85Å; V255-L257 HydrophobicContact CG1-CG 4.39Å; V255-L257 PolarHBondContact O-N 3.38Å; V255-R302 WeakPolarHBondContact O-CD 3.44Å
256	R	94	Very high	94	Very high	11 Å²	11	39.4 Å²	39.4	4%	0.042	21%	0.209	C	C	.	.			trans	-82.6	61.2	-177.7	-54.6	172.3	-165.2	-149.8	-0.6	110.5	D219 E226 P258 L259 R302 R304 P305	D219-R256 IonicContact OD1-CZ 3.84Å; D219-R256 VanDerWaalsContact OD1-CZ 3.28Å; D219-R256 IonicContact OD1-NH1 3.3Å; D219-R256 PolarHBondContact OD1-NH1 3.5Å; D219-R256 VanDerWaalsContact OD1-NH1 3.09Å; D219-R256 IonicContact OD1-NH2 3.89Å; D219-R256 PolarHBondContact OD1-NH2 3.3Å; E226-R256 HydrophobicContact CG-CB 3.8Å; E226-R256 WeakPolarHBondContact OE1-CB 3.13Å; E226-R256 WeakPolarHBondContact OE1-CG 3.43Å; E226-R256 PolarHBondContact OE1-N 2.89Å; R256-P258 WeakPolarHBondContact O-CD 3.32Å; R256-P258 VanDerWaalsContact O-N 3.08Å; R256-L259 HydrophobicContact CB-CB 4.3Å; R256-L259 HydrophobicContact CB-CD1 3.88Å; R256-L259 HydrophobicContact CB-CG 4.14Å; R256-L259 HydrophobicContact CG-CD1 4.49Å; R256-L259 WeakPolarHBondContact O-CB 3.31Å; R256-L259 PolarHBondContact O-N 3.46Å; R256-R302 VanDerWaalsContact CB-O 3.31Å; R256-R302 WeakPolarHBondContact CB-O 3.41Å; R256-R304 VanDerWaalsContact CD-O 3.26Å; R256-R304 WeakPolarHBondContact CD-O 3.43Å; R256-R304 PolarHBondContact NH1-O 3.47Å; R256-P305 PolarHBondContact NH1-O 2.85Å
257	L	94.9	Very high	94.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-46.2	-38	-179.9	-61.3	178.6	0	0	0	114.6	F230 L252 V255 L259 L260 F265 V269 L284 L285 A288	F230-L257 HydrophobicContact CD2-CD2 4.01Å; F230-L257 HydrophobicContact CE2-CD2 4.48Å; L252-L257 HydrophobicContact CD2-CD2 4.48Å; V255-L257 HydrophobicContact CB-CD2 4.37Å; V255-L257 HydrophobicContact CG1-CD2 3.85Å; V255-L257 HydrophobicContact CG1-CG 4.39Å; V255-L257 PolarHBondContact O-N 3.38Å; L257-L259 PolarHBondContact O-N 3.11Å; L257-L259 VanDerWaalsContact O-N 3.16Å; L257-L260 HydrophobicContact CB-CD1 4.44Å; L257-L260 HydrophobicContact CD2-CD1 3.64Å; L257-L260 WeakPolarHBondContact O-CB 3.47Å; L257-L260 WeakPolarHBondContact O-CG 3.29Å; L257-L260 PolarHBondContact O-N 3.19Å; L257-F265 HydrophobicContact CB-CE2 4.43Å; L257-V269 HydrophobicContact CD2-CG1 4.26Å; L257-L284 HydrophobicContact CD1-CB 4.07Å; L257-L285 HydrophobicContact CD1-CD2 4.35Å; L257-A288 HydrophobicContact CB-CB 3.88Å
258	P	93	Very high	94.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.013	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-60.1	-18.8	174.5	-25.8	36.6	0	0	0	115.5	R256 A288 Y291 H292 R302 T303	R256-P258 WeakPolarHBondContact O-CD 3.32Å; R256-P258 VanDerWaalsContact O-N 3.08Å; P258-A288 HydrophobicContact CG-CB 4.23Å; P258-Y291 HydrophobicContact CB-CD1 3.58Å; P258-Y291 HydrophobicContact CB-CD2 4.43Å; P258-Y291 HydrophobicContact CB-CE1 4.24Å; P258-Y291 HydrophobicContact CB-CG 3.68Å; P258-Y291 WeakPolarHBondContact O-CD1 2.93Å; P258-Y291 WeakPolarHBondContact O-CE1 3.19Å; P258-H292 PolarHBondContact O-CD2 3.07Å; P258-H292 PolarHBondContact O-NE2 3.23Å; P258-H292 VanDerWaalsContact O-NE2 3.15Å; P258-R302 HydrophobicContact CG-CB 4.17Å; P258-T303 HydrophobicContact CB-CG2 3.82Å; P258-T303 HydrophobicContact CG-CG2 3.92Å
259	L	91.7	Very high	94.1	Very high	43 Å²	43	41.7 Å²	41.7	23%	0.225	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-100.5	2.1	-177.1	-56.6	-177.7	0	0	0	113.2	R256 L257 Y291 R304 P305	R256-L259 HydrophobicContact CB-CB 4.3Å; R256-L259 HydrophobicContact CB-CD1 3.88Å; R256-L259 HydrophobicContact CB-CG 4.14Å; R256-L259 HydrophobicContact CG-CD1 4.49Å; R256-L259 WeakPolarHBondContact O-CB 3.31Å; R256-L259 PolarHBondContact O-N 3.46Å; L257-L259 PolarHBondContact O-N 3.11Å; L257-L259 VanDerWaalsContact O-N 3.16Å; L259-Y291 HydrophobicContact CD2-CE1 3.94Å; L259-R304 WeakPolarHBondContact CD1-O 3.43Å; L259-P305 VanDerWaalsContact CD1-CA 3.46Å; L259-P305 HydrophobicContact CD1-CB 4.21Å; L259-P305 HydrophobicContact CD1-CG 4.12Å; L259-P305 HydrophobicContact CD2-CG 4.49Å
260	L	93.8	Very high	94.1	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-69.7	151.3	170.1	-61.6	175	0	0	0	110	E226 E227 L257 Y264 F265 V269 H292	E226-L260 VanDerWaalsContact C-CD2 3.47Å; E226-L260 HydrophobicContact CB-CD2 3.89Å; E226-L260 HydrophobicContact CG-CD2 4.14Å; E227-L260 HydrophobicContact CB-CD2 4.25Å; E227-L260 HydrophobicContact CG-CD2 3.83Å; E227-L260 VanDerWaalsContact N-CD2 3.28Å; L257-L260 HydrophobicContact CB-CD1 4.44Å; L257-L260 HydrophobicContact CD2-CD1 3.64Å; L257-L260 WeakPolarHBondContact O-CB 3.47Å; L257-L260 WeakPolarHBondContact O-CG 3.29Å; L257-L260 PolarHBondContact O-N 3.19Å; L260-Y264 HydrophobicContact CD1-CD1 4.46Å; L260-Y264 HydrophobicContact CD2-CD1 4.45Å; L260-F265 HydrophobicContact CB-CB 4.34Å; L260-F265 HydrophobicContact CD1-CD2 4.19Å; L260-V269 HydrophobicContact CD1-CG2 3.69Å; L260-H292 PolarHBondContact O-NE2 2.8Å; L260-H292 VanDerWaalsContact O-NE2 3.14Å
261	H	92.2	Very high	94	Very high	102 Å²	102	41 Å²	41	47%	0.472	22%	0.217	S	C	.	.			trans	-60.2	132.4	172	-173.1	-87.4	0	0	0	110	E227 N263 Y264 F265	E227-H261 VanDerWaalsContact OE1-CB 3.29Å; E227-H261 WeakPolarHBondContact OE1-CB 3.43Å; E227-H261 PolarHBondContact OE1-N 2.83Å; H261-N263 VanDerWaalsContact C-N 3.26Å; H261-N263 WeakPolarHBondContact ND1-CB 3.49Å; H261-N263 PolarHBondContact ND1-N 3.02Å; H261-N263 PolarHBondContact O-N 3.28Å; H261-N263 VanDerWaalsContact O-N 3.1Å; H261-Y264 WeakPolarHBondContact O-CA 3.3Å; H261-Y264 WeakPolarHBondContact O-CB 3.32Å; H261-Y264 PolarHBondContact O-N 3.22Å; H261-F265 PolarHBondContact O-N 3.2Å
262	P	92.4	Very high	93.9	Very high	61 Å²	61	41.9 Å²	41.9	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-54.2	-38.7	-174.6	-30	35.3	0	0	0	114.2	V266 H292	P262-V266 WeakPolarHBondContact O-CG2 3.43Å; P262-V266 PolarHBondContact O-N 3.23Å; P262-V266 VanDerWaalsContact O-N 3.13Å; P262-H292 HydrophobicContact CG-CB 4.47Å
263	N	93.7	Very high	93.7	Very high	100 Å²	100	49.1 Å²	49.1	54%	0.535	26%	0.255	S	S	.	.	H	α-helix	trans	-65.6	-40.4	176.1	-65.3	-12.2	0	0	0	112.3	H261 V266 Q267	H261-N263 VanDerWaalsContact C-N 3.26Å; H261-N263 WeakPolarHBondContact ND1-CB 3.49Å; H261-N263 PolarHBondContact ND1-N 3.02Å; H261-N263 PolarHBondContact O-N 3.28Å; H261-N263 VanDerWaalsContact O-N 3.1Å; N263-V266 PolarHBondContact O-N 3.12Å; N263-Q267 WeakPolarHBondContact O-CB 3.02Å; N263-Q267 VanDerWaalsContact O-CG 3.25Å; N263-Q267 WeakPolarHBondContact O-CG 3.4Å; N263-Q267 PolarHBondContact O-N 3.31Å
264	Y	95.8	Very high	93.5	Very high	43 Å²	43	48.2 Å²	48.2	17%	0.169	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-42.5	179.3	-178.2	-91.6	0	0	0	110.8	E227 F230 E231 L260 H261 V266 Q267 T268 V269	E227-Y264 HydrophobicContact CB-CD1 4.31Å; E227-Y264 HydrophobicContact CB-CE1 4.02Å; E227-Y264 HydrophobicContact CG-CD1 3.44Å; E227-Y264 VanDerWaalsContact CG-CD1 3.44Å; E227-Y264 HydrophobicContact CG-CD2 4.04Å; E227-Y264 HydrophobicContact CG-CE1 3.66Å; E227-Y264 HydrophobicContact CG-CE2 4.25Å; E227-Y264 HydrophobicContact CG-CG 3.63Å; F230-Y264 AromaticContact CD1-CE1 3.9Å; F230-Y264 HydrophobicContact CD1-CE1 3.9Å; F230-Y264 HydrophobicContact CE1-CE1 4.44Å; E231-Y264 WeakPolarHBondContact CG-OH 3.43Å; E231-Y264 PolarHBondContact OE1-OH 3.46Å; L260-Y264 HydrophobicContact CD1-CD1 4.46Å; L260-Y264 HydrophobicContact CD2-CD1 4.45Å; H261-Y264 WeakPolarHBondContact O-CA 3.3Å; H261-Y264 WeakPolarHBondContact O-CB 3.32Å; H261-Y264 PolarHBondContact O-N 3.22Å; Y264-V266 PolarHBondContact O-N 3.34Å; Y264-Q267 PolarHBondContact O-N 2.99Å; Y264-T268 HydrophobicContact CE1-CG2 4.37Å; Y264-T268 HydrophobicContact CE2-CG2 4.1Å; Y264-T268 WeakPolarHBondContact CE2-OG1 3.45Å; Y264-T268 VanDerWaalsContact O-CB 3.3Å; Y264-T268 WeakPolarHBondContact O-CB 3.46Å; Y264-T268 PolarHBondContact O-N 3.35Å; Y264-T268 PolarHBondContact O-OG1 2.68Å; Y264-V269 HydrophobicContact CD1-CG2 4.32Å; Y264-V269 HydrophobicContact CE1-CG2 4.17Å
265	F	95.5	Very high	93.4	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.236	C	C	.	.	I	π-helix	trans	-56.7	-48.6	175.9	178.5	-104.2	0	0	0	111.9	L257 L260 H261 V269 E270 L285 A288 R289 H292	L257-F265 HydrophobicContact CB-CE2 4.43Å; L260-F265 HydrophobicContact CB-CB 4.34Å; L260-F265 HydrophobicContact CD1-CD2 4.19Å; H261-F265 PolarHBondContact O-N 3.2Å; F265-V269 HydrophobicContact CD2-CB 3.93Å; F265-V269 HydrophobicContact CD2-CG1 4.11Å; F265-V269 HydrophobicContact CD2-CG2 4.14Å; F265-V269 HydrophobicContact CE2-CB 4.33Å; F265-V269 HydrophobicContact CE2-CG1 4.06Å; F265-V269 WeakPolarHBondContact O-CB 3.43Å; F265-V269 PolarHBondContact O-N 3.09Å; F265-V269 VanDerWaalsContact O-N 3.14Å; F265-E270 HydrophobicContact CD1-CG 4.17Å; F265-E270 HydrophobicContact CE1-CG 3.83Å; F265-E270 WeakPolarHBondContact CE1-OE1 3.42Å; F265-E270 HydrophobicContact CZ-CG 4.04Å; F265-E270 PolarHBondContact O-N 2.63Å; F265-L285 HydrophobicContact CE2-CD2 3.73Å; F265-L285 HydrophobicContact CZ-CB 4.28Å; F265-L285 HydrophobicContact CZ-CD2 3.85Å; F265-A288 HydrophobicContact CD2-CB 4.34Å; F265-A288 HydrophobicContact CE1-CB 4.31Å; F265-A288 HydrophobicContact CE2-CB 3.61Å; F265-A288 HydrophobicContact CZ-CB 3.6Å; F265-R289 HydrophobicContact CE1-CG 3.71Å; F265-R289 HydrophobicContact CZ-CG 4.28Å; F265-H292 AromaticContact CD1-CE1 3.73Å; F265-H292 AromaticContact CD1-ND1 3.77Å; F265-H292 AromaticContact CG-CE1 3.64Å
266	V	94	Very high	93.2	Very high	76 Å²	76	48.8 Å²	48.8	46%	0.461	25%	0.252	S	S	.	.	I	π-helix	trans	-70.8	-41.3	179.4	176.7	0	0	0	0	112.3	P262 N263 Y264	P262-V266 WeakPolarHBondContact O-CG2 3.43Å; P262-V266 PolarHBondContact O-N 3.23Å; P262-V266 VanDerWaalsContact O-N 3.13Å; N263-V266 PolarHBondContact O-N 3.12Å; Y264-V266 PolarHBondContact O-N 3.34Å
267	Q	94	Very high	93	Very high	144 Å²	144	52.8 Å²	52.8	67%	0.673	27%	0.274	S	S	*	.	I	π-helix	trans	-84	-19.9	-172.5	-69.1	179.7	-21.1	0	0	114.7	N263 Y264 V271	N263-Q267 WeakPolarHBondContact O-CB 3.02Å; N263-Q267 VanDerWaalsContact O-CG 3.25Å; N263-Q267 WeakPolarHBondContact O-CG 3.4Å; N263-Q267 PolarHBondContact O-N 3.31Å; Y264-Q267 PolarHBondContact O-N 2.99Å; Q267-V271 WeakPolarHBondContact O-CG2 3.33Å
268	T	94.2	Very high	92.8	Very high	52 Å²	52	53.2 Å²	53.2	32%	0.319	28%	0.277	S	S	.	.	I	π-helix	trans	-121.4	-54.3	-175.9	-47.4	0	0	0	0	111.2	F230 Y264 D272	F230-T268 HydrophobicContact CE1-CG2 4.25Å; Y264-T268 HydrophobicContact CE1-CG2 4.37Å; Y264-T268 HydrophobicContact CE2-CG2 4.1Å; Y264-T268 WeakPolarHBondContact CE2-OG1 3.45Å; Y264-T268 VanDerWaalsContact O-CB 3.3Å; Y264-T268 WeakPolarHBondContact O-CB 3.46Å; Y264-T268 PolarHBondContact O-N 3.35Å; Y264-T268 PolarHBondContact O-OG1 2.68Å; T268-D272 PolarHBondContact O-N 3.08Å
269	V	94.7	Very high	92.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	I	π-helix	trans	-72.8	-48.7	-173.2	-174.7	0	0	0	0	111.5	F230 L257 L260 Y264 F265 V271 D272 I275 L285	F230-V269 HydrophobicContact CD1-CG2 4.15Å; F230-V269 HydrophobicContact CD2-CG2 4.16Å; F230-V269 HydrophobicContact CE1-CG2 3.83Å; F230-V269 HydrophobicContact CE2-CB 4.29Å; F230-V269 HydrophobicContact CE2-CG1 3.79Å; F230-V269 HydrophobicContact CE2-CG2 3.84Å; F230-V269 HydrophobicContact CG-CG2 4.3Å; F230-V269 HydrophobicContact CZ-CB 4.08Å; F230-V269 HydrophobicContact CZ-CG1 4.01Å; F230-V269 HydrophobicContact CZ-CG2 3.67Å; L257-V269 HydrophobicContact CD2-CG1 4.26Å; L260-V269 HydrophobicContact CD1-CG2 3.69Å; Y264-V269 HydrophobicContact CD1-CG2 4.32Å; Y264-V269 HydrophobicContact CE1-CG2 4.17Å; F265-V269 HydrophobicContact CD2-CB 3.93Å; F265-V269 HydrophobicContact CD2-CG1 4.11Å; F265-V269 HydrophobicContact CD2-CG2 4.14Å; F265-V269 HydrophobicContact CE2-CB 4.33Å; F265-V269 HydrophobicContact CE2-CG1 4.06Å; F265-V269 WeakPolarHBondContact O-CB 3.43Å; F265-V269 PolarHBondContact O-N 3.09Å; F265-V269 VanDerWaalsContact O-N 3.14Å; V269-V271 VanDerWaalsContact C-N 3.34Å; V269-V271 PolarHBondContact O-N 3.41Å; V269-D272 PolarHBondContact O-N 3.04Å; V269-I275 HydrophobicContact CG1-CD1 3.82Å; V269-L285 HydrophobicContact CG1-CD2 3.78Å
270	E	91.8	Very high	92.7	Very high	28 Å²	28	59.8 Å²	59.8	13%	0.131	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-27.4	-176.4	-69.3	-169.5	170.8	0	0	113.5	F265 D272 Q276 R289	F265-E270 HydrophobicContact CD1-CG 4.17Å; F265-E270 HydrophobicContact CE1-CG 3.83Å; F265-E270 WeakPolarHBondContact CE1-OE1 3.42Å; F265-E270 HydrophobicContact CZ-CG 4.04Å; F265-E270 PolarHBondContact O-N 2.63Å; E270-D272 VanDerWaalsContact C-N 3.34Å; E270-Q276 VanDerWaalsContact O-CD 3.31Å; E270-Q276 WeakPolarHBondContact O-CG 3.4Å; E270-Q276 PolarHBondContact O-NE2 3.15Å; E270-R289 WeakPolarHBondContact OE1-CG 3.26Å; E270-R289 IonicContact OE1-CZ 2.63Å; E270-R289 IonicContact OE1-NE 2.75Å; E270-R289 PolarHBondContact OE1-NE 3.15Å; E270-R289 IonicContact OE1-NH2 2.64Å; E270-R289 PolarHBondContact OE1-NH2 3.29Å; E270-R289 IonicContact OE2-CZ 3.2Å; E270-R289 IonicContact OE2-NE 3.52Å; E270-R289 IonicContact OE2-NH2 3.9Å; E270-R289 PolarHBondContact OE2-NH2 3.42Å
271	V	93.3	Very high	92.6	Very high	96 Å²	96	59.6 Å²	59.6	58%	0.582	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9	179.9	-61.5	0	0	0	0	113	Q267 V269 Q273	Q267-V271 WeakPolarHBondContact O-CG2 3.33Å; V269-V271 VanDerWaalsContact C-N 3.34Å; V269-V271 PolarHBondContact O-N 3.41Å; V271-Q273 PolarHBondContact O-N 3.43Å
272	D	92.9	Very high	92.7	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.102	31%	0.31	C	S	.	.			trans	-63.4	126	-177.1	-170	-79.6	0	0	0	111.8	M234 Y238 T268 V269 E270 L274 I275 Q276	M234-D272 WeakPolarHBondContact CE-OD2 3.39Å; Y238-D272 PolarHBondContact OH-OD2 2.81Å; T268-D272 PolarHBondContact O-N 3.08Å; V269-D272 PolarHBondContact O-N 3.04Å; E270-D272 VanDerWaalsContact C-N 3.34Å; D272-L274 VanDerWaalsContact C-N 3.33Å; D272-L274 PolarHBondContact O-N 2.78Å; D272-L274 WeakPolarHBondContact OD1-CA 3.34Å; D272-L274 WeakPolarHBondContact OD1-CB 2.99Å; D272-L274 PolarHBondContact OD1-N 2.76Å; D272-I275 HydrophobicContact CB-CB 4.19Å; D272-I275 HydrophobicContact CB-CD1 3.97Å; D272-I275 HydrophobicContact CB-CG1 4.04Å; D272-I275 PolarHBondContact O-N 3.2Å; D272-I275 PolarHBondContact OD1-N 3.24Å; D272-Q276 WeakPolarHBondContact O-CB 3.49Å; D272-Q276 WeakPolarHBondContact O-CG 3.36Å; D272-Q276 PolarHBondContact O-N 3.14Å
273	Q	91.7	Very high	92.6	Very high	153 Å²	153	64.6 Å²	64.6	72%	0.715	33%	0.327	S	S	*	.	H	α-helix	trans	-66.4	-32.8	-175.4	-65.9	-177.7	13.1	0	0	112.9	V271 N277	V271-Q273 PolarHBondContact O-N 3.43Å; Q273-N277 WeakPolarHBondContact O-CB 3.38Å; Q273-N277 PolarHBondContact O-N 3.45Å; Q273-N277 PolarHBondContact O-ND2 2.89Å
274	L	91.3	Very high	92.6	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	30%	0.304	C	S	.	.	H	α-helix	trans	-69.4	-41.4	178.7	-65.4	178	0	0	0	110.6	M234 V237 Y238 V241 L248 D272 N277 S278	M234-L274 HydrophobicContact CE-CD1 4.41Å; V237-L274 HydrophobicContact CG1-CD1 3.97Å; Y238-L274 HydrophobicContact CD1-CD1 3.88Å; Y238-L274 HydrophobicContact CE1-CD1 3.42Å; Y238-L274 VanDerWaalsContact CE1-CD1 3.42Å; Y238-L274 HydrophobicContact CE1-CG 4.15Å; V241-L274 HydrophobicContact CG1-CD1 4.3Å; V241-L274 HydrophobicContact CG1-CD2 3.71Å; L248-L274 HydrophobicContact CD2-CB 4.02Å; D272-L274 VanDerWaalsContact C-N 3.33Å; D272-L274 PolarHBondContact O-N 2.78Å; D272-L274 WeakPolarHBondContact OD1-CA 3.34Å; D272-L274 WeakPolarHBondContact OD1-CB 2.99Å; D272-L274 PolarHBondContact OD1-N 2.76Å; L274-N277 PolarHBondContact O-N 2.82Å; L274-S278 PolarHBondContact O-N 3.36Å; L274-S278 PolarHBondContact O-OG 3.26Å
275	I	92.4	Very high	92.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-45.5	178.2	-59.8	179.1	0	0	0	110.6	F230 M234 L248 L252 V269 D272 N277 S278 C281 L285	F230-I275 HydrophobicContact CE2-CD1 3.74Å; F230-I275 HydrophobicContact CZ-CD1 3.8Å; M234-I275 HydrophobicContact SD-CD1 4.39Å; L248-I275 HydrophobicContact CD2-CG1 4.05Å; L252-I275 HydrophobicContact CD1-CD1 4.16Å; L252-I275 HydrophobicContact CD1-CG1 4.22Å; V269-I275 HydrophobicContact CG1-CD1 3.82Å; D272-I275 HydrophobicContact CB-CB 4.19Å; D272-I275 HydrophobicContact CB-CD1 3.97Å; D272-I275 HydrophobicContact CB-CG1 4.04Å; D272-I275 PolarHBondContact O-N 3.2Å; D272-I275 PolarHBondContact OD1-N 3.24Å; I275-N277 PolarHBondContact O-N 3.17Å; I275-S278 PolarHBondContact O-N 3.33Å; I275-S278 VanDerWaalsContact O-N 3.08Å; I275-C281 HydrophobicContact CG2-CB 3.96Å; I275-L285 HydrophobicContact CG2-CD1 3.81Å; I275-L285 HydrophobicContact CG2-CD2 4.26Å; I275-L285 HydrophobicContact CG2-CG 4.3Å
276	Q	90.8	Very high	92.4	Very high	69 Å²	69	63.5 Å²	63.5	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-31	176.8	-71.9	-61.7	-43.9	0	0	112.8	E270 D272 S278 Y282	E270-Q276 VanDerWaalsContact O-CD 3.31Å; E270-Q276 WeakPolarHBondContact O-CG 3.4Å; E270-Q276 PolarHBondContact O-NE2 3.15Å; D272-Q276 WeakPolarHBondContact O-CB 3.49Å; D272-Q276 WeakPolarHBondContact O-CG 3.36Å; D272-Q276 PolarHBondContact O-N 3.14Å; Q276-S278 VanDerWaalsContact C-N 3.25Å; Q276-S278 PolarHBondContact O-N 2.59Å; Q276-Y282 PolarHBondContact O-OH 2.75Å
277	N	90	Very high	92.2	Very high	95 Å²	95	61 Å²	61	51%	0.508	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	5.7	176.9	-68.6	-31.5	0	0	0	113.8	R245 Q273 L274 I275	R245-N277 PolarHBondContact NH2-O 3.38Å; Q273-N277 WeakPolarHBondContact O-CB 3.38Å; Q273-N277 PolarHBondContact O-N 3.45Å; Q273-N277 PolarHBondContact O-ND2 2.89Å; L274-N277 PolarHBondContact O-N 2.82Å; I275-N277 PolarHBondContact O-N 3.17Å
278	S	90.8	Very high	92.2	Very high	10 Å²	10	54.1 Å²	54.1	7%	0.07	27%	0.271	C	S	.	.			trans	-123	94.7	-178.5	-80.2	0	0	0	0	110.7	L274 I275 Q276 E280 C281	L274-S278 PolarHBondContact O-N 3.36Å; L274-S278 PolarHBondContact O-OG 3.26Å; I275-S278 PolarHBondContact O-N 3.33Å; I275-S278 VanDerWaalsContact O-N 3.08Å; Q276-S278 VanDerWaalsContact C-N 3.25Å; Q276-S278 PolarHBondContact O-N 2.59Å; S278-E280 PolarHBondContact O-N 3.38Å; S278-E280 VanDerWaalsContact O-N 3.12Å; S278-C281 WeakPolarHBondContact O-CB 3.43Å; S278-C281 PolarHBondContact O-N 3.25Å
279	P	90.7	Very high	92.1	Very high	78 Å²	78	57 Å²	57	51%	0.506	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.8	-24.1	-174.3	24.9	-33.9	0	0	0	114.1	C281 Y282	P279-C281 PolarHBondContact O-N 2.95Å; P279-Y282 VanDerWaalsContact CA-CD2 3.49Å; P279-Y282 HydrophobicContact CB-CD2 4.03Å; P279-Y282 HydrophobicContact CB-CE2 3.99Å; P279-Y282 WeakPolarHBondContact O-CB 3.31Å; P279-Y282 VanDerWaalsContact O-CD2 3.32Å; P279-Y282 WeakPolarHBondContact O-CD2 3.25Å; P279-Y282 PolarHBondContact O-N 3.38Å
280	E	90.9	Very high	91.9	Very high	105 Å²	105	61.8 Å²	61.8	49%	0.491	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64	-25.2	176.7	-55.4	76.5	-165.4	0	0	111.9	H249 S278 Y282	H249-E280 HydrophobicContact CB-CB 3.91Å; H249-E280 PolarHBondContact CE1-O 3.24Å; H249-E280 PolarHBondContact ND1-O 3.18Å; H249-E280 VanDerWaalsContact ND1-O 3.08Å; S278-E280 PolarHBondContact O-N 3.38Å; S278-E280 VanDerWaalsContact O-N 3.12Å; E280-Y282 VanDerWaalsContact C-N 3.35Å
281	C	92.7	Very high	91.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-78.5	-17.6	179.1	-62.6	0	0	0	0	113	I275 S278 P279 Q283 L284 L285	I275-C281 HydrophobicContact CG2-CB 3.96Å; S278-C281 WeakPolarHBondContact O-CB 3.43Å; S278-C281 PolarHBondContact O-N 3.25Å; P279-C281 PolarHBondContact O-N 2.95Å; C281-Q283 VanDerWaalsContact C-N 3.27Å; C281-Q283 PolarHBondContact O-N 2.82Å; C281-L284 WeakPolarHBondContact O-CB 3.43Å; C281-L284 PolarHBondContact O-N 2.87Å; C281-L285 PolarHBondContact O-N 3.49Å
282	Y	92.5	Very high	91.5	Very high	108 Å²	108	59.6 Å²	59.6	42%	0.424	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-32.6	-175.1	-70.5	-42.1	0	0	0	113.7	Q276 P279 E280 L285 H286	Q276-Y282 PolarHBondContact O-OH 2.75Å; P279-Y282 VanDerWaalsContact CA-CD2 3.49Å; P279-Y282 HydrophobicContact CB-CD2 4.03Å; P279-Y282 HydrophobicContact CB-CE2 3.99Å; P279-Y282 WeakPolarHBondContact O-CB 3.31Å; P279-Y282 VanDerWaalsContact O-CD2 3.32Å; P279-Y282 WeakPolarHBondContact O-CD2 3.25Å; P279-Y282 PolarHBondContact O-N 3.38Å; E280-Y282 VanDerWaalsContact C-N 3.35Å; Y282-L285 HydrophobicContact CD1-CD1 4.35Å; Y282-L285 PolarHBondContact O-N 3.16Å; Y282-H286 VanDerWaalsContact O-CB 3.25Å; Y282-H286 WeakPolarHBondContact O-CB 3.38Å; Y282-H286 PolarHBondContact O-N 3.08Å
283	Q	92.2	Very high	91.3	Very high	159 Å²	159	64 Å²	64	74%	0.743	30%	0.299	S	S	*	.	H	α-helix	trans	-64.6	-41.3	176.1	-66.5	-175.4	-3	0	0	111.6	C281 H286 E287	C281-Q283 VanDerWaalsContact C-N 3.27Å; C281-Q283 PolarHBondContact O-N 2.82Å; Q283-H286 PolarHBondContact O-N 3Å; Q283-E287 PolarHBondContact O-N 2.88Å
284	L	93	Very high	91	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-42.8	177.8	-58.2	175	0	0	0	111.3	L252 T253 L257 C281 E287 A288	L252-L284 HydrophobicContact CB-CD1 3.77Å; T253-L284 HydrophobicContact CG2-CD1 4.14Å; T253-L284 HydrophobicContact CG2-CD2 4.33Å; L257-L284 HydrophobicContact CD1-CB 4.07Å; C281-L284 WeakPolarHBondContact O-CB 3.43Å; C281-L284 PolarHBondContact O-N 2.87Å; L284-E287 PolarHBondContact O-N 3.23Å; L284-A288 PolarHBondContact O-N 3.05Å
285	L	93.9	Very high	90.6	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-42.8	175.7	-63.8	-175.7	0	0	0	111.8	L257 F265 V269 I275 C281 Y282 E287 A288 R289	L257-L285 HydrophobicContact CD1-CD2 4.35Å; F265-L285 HydrophobicContact CE2-CD2 3.73Å; F265-L285 HydrophobicContact CZ-CB 4.28Å; F265-L285 HydrophobicContact CZ-CD2 3.85Å; V269-L285 HydrophobicContact CG1-CD2 3.78Å; I275-L285 HydrophobicContact CG2-CD1 3.81Å; I275-L285 HydrophobicContact CG2-CD2 4.26Å; I275-L285 HydrophobicContact CG2-CG 4.3Å; C281-L285 PolarHBondContact O-N 3.49Å; Y282-L285 HydrophobicContact CD1-CD1 4.35Å; Y282-L285 PolarHBondContact O-N 3.16Å; L285-E287 VanDerWaalsContact C-N 3.34Å; L285-E287 PolarHBondContact O-N 2.91Å; L285-A288 PolarHBondContact O-N 3.49Å; L285-R289 WeakPolarHBondContact O-CG 3.48Å; L285-R289 PolarHBondContact O-N 3.18Å
286	H	91.9	Very high	90	Very high	107 Å²	107	58.8 Å²	58.8	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-39	178.9	-176.4	-104.8	0	0	0	112.1	Y282 Q283 R290	Y282-H286 VanDerWaalsContact O-CB 3.25Å; Y282-H286 WeakPolarHBondContact O-CB 3.38Å; Y282-H286 PolarHBondContact O-N 3.08Å; Q283-H286 PolarHBondContact O-N 3Å; H286-R290 VanDerWaalsContact CE1-CD 3.41Å; H286-R290 WeakPolarHBondContact CE1-CD 3.39Å; H286-R290 VanDerWaalsContact O-CG 3.3Å; H286-R290 WeakPolarHBondContact O-CG 3.46Å; H286-R290 PolarHBondContact O-N 3.31Å
287	E	91.4	Very high	89.4	Confident	23 Å²	23	57.9 Å²	57.9	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-50.8	171.7	-179.4	-169.2	-173.8	0	0	111.8	Q283 L284 L285 R289 R290 Y291 M298 S300 R302	Q283-E287 PolarHBondContact O-N 2.88Å; L284-E287 PolarHBondContact O-N 3.23Å; L285-E287 VanDerWaalsContact C-N 3.34Å; L285-E287 PolarHBondContact O-N 2.91Å; E287-R289 PolarHBondContact O-N 3.27Å; E287-R290 PolarHBondContact O-N 2.66Å; E287-Y291 PolarHBondContact O-N 2.91Å; E287-M298 HydrophobicContact CG-CE 4Å; E287-S300 WeakPolarHBondContact OE1-CB 3.35Å; E287-S300 PolarHBondContact OE1-OG 2.74Å; E287-R302 IonicContact OE1-CZ 3.91Å; E287-R302 IonicContact OE1-NE 2.8Å; E287-R302 IonicContact OE1-NH2 3.91Å; E287-R302 PolarHBondContact OE1-NH2 2.92Å; E287-R302 IonicContact OE2-CZ 3.58Å; E287-R302 IonicContact OE2-NE 3.76Å; E287-R302 PolarHBondContact OE2-NE 3.46Å; E287-R302 IonicContact OE2-NH2 3.43Å; E287-R302 PolarHBondContact OE2-NH2 3.31Å
288	A	93	Very high	88.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-44.8	179.4	0	0	0	0	0	112.1	L257 P258 F265 L284 L285 R290 Y291 H292	L257-A288 HydrophobicContact CB-CB 3.88Å; P258-A288 HydrophobicContact CG-CB 4.23Å; F265-A288 HydrophobicContact CD2-CB 4.34Å; F265-A288 HydrophobicContact CE1-CB 4.31Å; F265-A288 HydrophobicContact CE2-CB 3.61Å; F265-A288 HydrophobicContact CZ-CB 3.6Å; L284-A288 PolarHBondContact O-N 3.05Å; L285-A288 PolarHBondContact O-N 3.49Å; A288-R290 VanDerWaalsContact C-N 3.33Å; A288-R290 PolarHBondContact O-N 3.4Å; A288-Y291 PolarHBondContact O-N 3.18Å; A288-H292 PolarHBondContact O-N 3.15Å; A288-H292 PolarHBondContact O-ND1 3.01Å
289	R	92.2	Very high	88.1	Confident	112 Å²	112	57 Å²	57	42%	0.423	27%	0.267	S	S	.	.	H	α-helix	trans	-53.7	-49.5	173	-77	-179.4	174.4	158.4	3.5	112	F265 E270 L285 E287 H292 I293	F265-R289 HydrophobicContact CE1-CG 3.71Å; F265-R289 HydrophobicContact CZ-CG 4.28Å; E270-R289 WeakPolarHBondContact OE1-CG 3.26Å; E270-R289 IonicContact OE1-CZ 2.63Å; E270-R289 IonicContact OE1-NE 2.75Å; E270-R289 PolarHBondContact OE1-NE 3.15Å; E270-R289 IonicContact OE1-NH2 2.64Å; E270-R289 PolarHBondContact OE1-NH2 3.29Å; E270-R289 IonicContact OE2-CZ 3.2Å; E270-R289 IonicContact OE2-NE 3.52Å; E270-R289 IonicContact OE2-NH2 3.9Å; E270-R289 PolarHBondContact OE2-NH2 3.42Å; L285-R289 WeakPolarHBondContact O-CG 3.48Å; L285-R289 PolarHBondContact O-N 3.18Å; E287-R289 PolarHBondContact O-N 3.27Å; R289-H292 PolarHBondContact O-N 3.05Å; R289-I293 WeakPolarHBondContact O-CG1 3.45Å; R289-I293 PolarHBondContact O-N 3.41Å
290	R	89.9	Confident	87.7	Confident	102 Å²	102	54 Å²	54	39%	0.385	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-39	-178	-72.4	178.6	63.1	-178.9	4	111.5	H286 E287 A288 I293 L294 M298	H286-R290 VanDerWaalsContact CE1-CD 3.41Å; H286-R290 WeakPolarHBondContact CE1-CD 3.39Å; H286-R290 VanDerWaalsContact O-CG 3.3Å; H286-R290 WeakPolarHBondContact O-CG 3.46Å; H286-R290 PolarHBondContact O-N 3.31Å; E287-R290 PolarHBondContact O-N 2.66Å; A288-R290 VanDerWaalsContact C-N 3.33Å; A288-R290 PolarHBondContact O-N 3.4Å; R290-I293 PolarHBondContact O-N 3.08Å; R290-L294 VanDerWaalsContact O-CB 3.31Å; R290-L294 WeakPolarHBondContact O-CB 3.15Å; R290-L294 WeakPolarHBondContact O-CG 3.25Å; R290-L294 PolarHBondContact O-N 3.32Å; R290-M298 HydrophobicContact CB-CE 4.12Å; R290-M298 HydrophobicContact CB-SD 3.14Å; R290-M298 WeakPolarHBondContact CB-SD 3.47Å; R290-M298 HydrophobicContact CG-SD 4.25Å
291	Y	89.6	Confident	87.3	Confident	26 Å²	26	53.4 Å²	53.4	10%	0.102	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-40.5	174.2	-178.7	-91.8	0	0	0	112.1	P258 L259 E287 A288 I293 G295 N296 M298 T303	P258-Y291 HydrophobicContact CB-CD1 3.58Å; P258-Y291 HydrophobicContact CB-CD2 4.43Å; P258-Y291 HydrophobicContact CB-CE1 4.24Å; P258-Y291 HydrophobicContact CB-CG 3.68Å; P258-Y291 WeakPolarHBondContact O-CD1 2.93Å; P258-Y291 WeakPolarHBondContact O-CE1 3.19Å; L259-Y291 HydrophobicContact CD2-CE1 3.94Å; E287-Y291 PolarHBondContact O-N 2.91Å; A288-Y291 PolarHBondContact O-N 3.18Å; Y291-I293 PolarHBondContact O-N 3.05Å; Y291-G295 VanDerWaalsContact CD2-O 3.24Å; Y291-G295 WeakPolarHBondContact CD2-O 3.46Å; Y291-G295 WeakPolarHBondContact O-CA 3.35Å; Y291-G295 PolarHBondContact O-N 3.45Å; Y291-N296 PolarHBondContact OH-OD1 3.47Å; Y291-M298 HydrophobicContact CD2-CB 4.19Å; Y291-T303 HydrophobicContact CD2-CG2 3.37Å; Y291-T303 HydrophobicContact CE2-CG2 3.75Å; Y291-T303 HydrophobicContact CG-CG2 3.94Å
292	H	88.7	Confident	87.2	Confident	52 Å²	52	55.8 Å²	55.8	24%	0.241	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-27.8	175.4	-64.9	152.7	0	0	0	113.5	P258 L260 P262 F265 A288 R289	P258-H292 PolarHBondContact O-CD2 3.07Å; P258-H292 PolarHBondContact O-NE2 3.23Å; P258-H292 VanDerWaalsContact O-NE2 3.15Å; L260-H292 PolarHBondContact O-NE2 2.8Å; L260-H292 VanDerWaalsContact O-NE2 3.14Å; P262-H292 HydrophobicContact CG-CB 4.47Å; F265-H292 AromaticContact CD1-CE1 3.73Å; F265-H292 AromaticContact CD1-ND1 3.77Å; F265-H292 AromaticContact CG-CE1 3.64Å; A288-H292 PolarHBondContact O-N 3.15Å; A288-H292 PolarHBondContact O-ND1 3.01Å; R289-H292 PolarHBondContact O-N 3.05Å
293	I	87.5	Confident	86.9	Confident	112 Å²	112	50.8 Å²	50.8	57%	0.574	24%	0.243	S	C	*	.	H	α-helix	trans	-87.1	-48.6	179.3	-63.9	167.9	0	0	0	111.5	R289 R290 Y291 R362	R289-I293 WeakPolarHBondContact O-CG1 3.45Å; R289-I293 PolarHBondContact O-N 3.41Å; R290-I293 PolarHBondContact O-N 3.08Å; Y291-I293 PolarHBondContact O-N 3.05Å; I293-R362 PolarHBondContact O-NH2 2.79Å; I293-R362 VanDerWaalsContact O-NH2 3.13Å
294	L	85.5	Confident	86.5	Confident	19 Å²	19	46 Å²	46	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-94.7	-18.3	-170.1	-58.9	177.6	0	0	0	113.4	R290 E297 L406	R290-L294 VanDerWaalsContact O-CB 3.31Å; R290-L294 WeakPolarHBondContact O-CB 3.15Å; R290-L294 WeakPolarHBondContact O-CG 3.25Å; R290-L294 PolarHBondContact O-N 3.32Å; L294-E297 HydrophobicContact CB-CB 4.23Å; L294-L406 HydrophobicContact CD1-CD2 4.5Å
295	G	83.7	Confident	86.1	Confident	11 Å²	11	46.7 Å²	46.7	11%	0.113	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	61.9	-138.4	-174.4	0	0	0	0	0	112.6	Y291 E297 M298	Y291-G295 VanDerWaalsContact CD2-O 3.24Å; Y291-G295 WeakPolarHBondContact CD2-O 3.46Å; Y291-G295 WeakPolarHBondContact O-CA 3.35Å; Y291-G295 PolarHBondContact O-N 3.45Å; G295-E297 PolarHBondContact O-N 2.99Å; G295-M298 PolarHBondContact O-N 3.48Å; G295-M298 VanDerWaalsContact O-N 3.14Å
296	N	78.5	Confident	85.8	Confident	31 Å²	31	46.5 Å²	46.5	17%	0.166	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64.8	1	-173.7	-60.7	-11.7	0	0	0	115.4	Y291 M298 R362 H591	Y291-N296 PolarHBondContact OH-OD1 3.47Å; N296-M298 PolarHBondContact O-N 3.46Å; N296-R362 PolarHBondContact ND2-O 2.79Å; N296-H591 PolarHBondContact ND2-ND1 3.16Å; N296-H591 PolarHBondContact OD1-CE1 3.22Å; N296-H591 PolarHBondContact OD1-ND1 3.29Å
297	E	79	Confident	85.2	Confident	51 Å²	51	47 Å²	47	24%	0.238	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-63.1	-26.7	166.6	-74.5	-177.5	-128.8	0	0	111.9	L294 G295 V404 L406 G407	L294-E297 HydrophobicContact CB-CB 4.23Å; G295-E297 PolarHBondContact O-N 2.99Å; E297-V404 HydrophobicContact CG-CB 4.32Å; E297-V404 HydrophobicContact CG-CG1 4.01Å; E297-V404 WeakPolarHBondContact OE1-CG1 3.37Å; E297-L406 PolarHBondContact OE2-N 2.68Å; E297-G407 VanDerWaalsContact OE1-CA 3.23Å; E297-G407 WeakPolarHBondContact OE1-CA 3.47Å; E297-G407 PolarHBondContact OE1-N 2.79Å
298	M	75.4	Confident	84.5	Confident	31 Å²	31	46.9 Å²	46.9	15%	0.153	22%	0.221	C	C	.	.	S	Bend	trans	-95.7	117.2	174.5	-70.4	-167.1	73.5	0	0	110.9	E287 R290 Y291 G295 N296 T303	E287-M298 HydrophobicContact CG-CE 4Å; R290-M298 HydrophobicContact CB-CE 4.12Å; R290-M298 HydrophobicContact CB-SD 3.14Å; R290-M298 WeakPolarHBondContact CB-SD 3.47Å; R290-M298 HydrophobicContact CG-SD 4.25Å; Y291-M298 HydrophobicContact CD2-CB 4.19Å; G295-M298 PolarHBondContact O-N 3.48Å; G295-M298 VanDerWaalsContact O-N 3.14Å; N296-M298 PolarHBondContact O-N 3.46Å; M298-T303 PolarHBondContact O-OG1 3.49Å
299	M	77.5	Confident	83.6	Confident	55 Å²	55	47.8 Å²	47.8	27%	0.271	23%	0.227	S	C	.	.			trans	-109.2	119.9	175.6	-59.5	-60.7	-71.5	0	0	109.1	E313 V541	M299-E313 VanDerWaalsContact CE-OE1 3.26Å; M299-E313 WeakPolarHBondContact CE-OE1 3.14Å; M299-V541 HydrophobicContact CE-CG1 4.16Å
300	S	81.9	Confident	82.7	Confident	14 Å²	14	42.5 Å²	42.5	10%	0.098	21%	0.207	C	C	.	.			trans	-146.7	167.9	167.6	85.3	0	0	0	0	109.2	E287 R302 T303	E287-S300 WeakPolarHBondContact OE1-CB 3.35Å; E287-S300 PolarHBondContact OE1-OG 2.74Å; S300-R302 PolarHBondContact O-N 3.13Å; S300-R302 PolarHBondContact OG-N 3.25Å; S300-R302 VanDerWaalsContact OG-N 3.12Å; S300-T303 PolarHBondContact N-OG1 3.09Å; S300-T303 PolarHBondContact O-N 3.2Å; S300-T303 VanDerWaalsContact O-N 3.14Å; S300-T303 PolarHBondContact O-OG1 2.63Å; S300-T303 VanDerWaalsContact O-OG1 3.06Å; S300-T303 PolarHBondContact OG-N 2.75Å
301	P	83	Confident	82.2	Confident	93 Å²	93	42.8 Å²	42.8	60%	0.604	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-55.5	-31.7	171.7	-25.5	35.6	0	0	0	112.9
302	R	90.1	Very high	81.9	Confident	52 Å²	52	42.6 Å²	42.6	20%	0.196	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-78.8	-13.5	179.4	-75.5	179.6	-68	-74.1	-5.1	114.1	T253 V255 R256 P258 E287 S300 R304	T253-R302 WeakPolarHBondContact O-CD 3.24Å; T253-R302 WeakPolarHBondContact O-CG 3.46Å; T253-R302 PolarHBondContact O-NH1 3.08Å; V255-R302 WeakPolarHBondContact O-CD 3.44Å; R256-R302 VanDerWaalsContact CB-O 3.31Å; R256-R302 WeakPolarHBondContact CB-O 3.41Å; P258-R302 HydrophobicContact CG-CB 4.17Å; E287-R302 IonicContact OE1-CZ 3.91Å; E287-R302 IonicContact OE1-NE 2.8Å; E287-R302 IonicContact OE1-NH2 3.91Å; E287-R302 PolarHBondContact OE1-NH2 2.92Å; E287-R302 IonicContact OE2-CZ 3.58Å; E287-R302 IonicContact OE2-NE 3.76Å; E287-R302 PolarHBondContact OE2-NE 3.46Å; E287-R302 IonicContact OE2-NH2 3.43Å; E287-R302 PolarHBondContact OE2-NH2 3.31Å; S300-R302 PolarHBondContact O-N 3.13Å; S300-R302 PolarHBondContact OG-N 3.25Å; S300-R302 VanDerWaalsContact OG-N 3.12Å; R302-R304 VanDerWaalsContact C-N 3.31Å
303	T	86.2	Confident	82	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-90.8	5.2	177	64.2	0	0	0	0	113.2	P258 Y291 M298 S300	P258-T303 HydrophobicContact CB-CG2 3.82Å; P258-T303 HydrophobicContact CG-CG2 3.92Å; Y291-T303 HydrophobicContact CD2-CG2 3.37Å; Y291-T303 HydrophobicContact CE2-CG2 3.75Å; Y291-T303 HydrophobicContact CG-CG2 3.94Å; M298-T303 PolarHBondContact O-OG1 3.49Å; S300-T303 PolarHBondContact N-OG1 3.09Å; S300-T303 PolarHBondContact O-N 3.2Å; S300-T303 VanDerWaalsContact O-N 3.14Å; S300-T303 PolarHBondContact O-OG1 2.63Å; S300-T303 VanDerWaalsContact O-OG1 3.06Å; S300-T303 PolarHBondContact OG-N 2.75Å
304	R	85.7	Confident	82.3	Confident	59 Å²	59	35.3 Å²	35.3	22%	0.223	18%	0.175	C	C	.	.	S	Bend	trans	-98.9	121.7	179	-60.6	-174.5	-163.8	159.1	11.5	111	R256 L259 R302 E313 N543 G544	R256-R304 VanDerWaalsContact CD-O 3.26Å; R256-R304 WeakPolarHBondContact CD-O 3.43Å; R256-R304 PolarHBondContact NH1-O 3.47Å; L259-R304 WeakPolarHBondContact CD1-O 3.43Å; R302-R304 VanDerWaalsContact C-N 3.31Å; R304-E313 IonicContact NE-OE2 3.07Å; R304-N543 PolarHBondContact NH1-O 3.06Å; R304-N543 VanDerWaalsContact NH1-O 3.09Å; R304-G544 VanDerWaalsContact CZ-N 3.27Å
305	P	84.7	Confident	82.7	Confident	25 Å²	25	34.4 Å²	34.4	16%	0.162	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-60.8	151.2	177.7	-23.8	34	0	0	0	114	R256 L259	R256-P305 PolarHBondContact NH1-O 2.85Å; L259-P305 VanDerWaalsContact CD1-CA 3.46Å; L259-P305 HydrophobicContact CD1-CB 4.21Å; L259-P305 HydrophobicContact CD1-CG 4.12Å; L259-P305 HydrophobicContact CD2-CG 4.49Å
306	R	87.2	Confident	83.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-71.8	145.6	168.7	-65.1	178.7	-162.6	-89.8	-0.1	109.1	I216 S218 I223 E226 H254 S308 T309	I216-R306 VanDerWaalsContact O-CZ 3.31Å; I216-R306 PolarHBondContact O-NH1 3.26Å; I216-R306 PolarHBondContact O-NH2 2.73Å; S218-R306 PolarHBondContact O-NH1 3.31Å; I223-R306 VanDerWaalsContact CD1-CD 3.48Å; E226-R306 IonicContact OE1-CZ 3.67Å; E226-R306 IonicContact OE1-NE 3.89Å; E226-R306 PolarHBondContact OE1-NE 3.2Å; E226-R306 IonicContact OE1-NH2 3.9Å; E226-R306 PolarHBondContact OE1-NH2 3.41Å; E226-R306 IonicContact OE2-CZ 3.63Å; E226-R306 IonicContact OE2-NE 2.77Å; E226-R306 PolarHBondContact OE2-NE 3.24Å; E226-R306 IonicContact OE2-NH2 3.94Å; H254-R306 PolarHBondContact O-NH2 3.14Å; R306-S308 PolarHBondContact O-N 3.2Å; R306-S308 VanDerWaalsContact O-N 3.15Å; R306-T309 HydrophobicContact CB-CG2 4.19Å; R306-T309 PolarHBondContact O-N 2.94Å; R306-T309 VanDerWaalsContact O-N 3.09Å; R306-T309 PolarHBondContact O-OG1 2.66Å
307	R	78.3	Confident	84.2	Confident	118 Å²	118	32.8 Å²	32.8	45%	0.445	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-58.3	-34.1	-175.2	-67	-179.8	173.6	-173	-3.7	113	D219 E220 T309 G310 V338	D219-R307 PolarHBondContact O-N 3.22Å; E220-R307 WeakPolarHBondContact OE1-CD 3.41Å; E220-R307 IonicContact OE1-CZ 3.66Å; E220-R307 VanDerWaalsContact OE1-CZ 3.32Å; E220-R307 IonicContact OE1-NE 3.17Å; E220-R307 IonicContact OE1-NH1 3.26Å; E220-R307 PolarHBondContact OE1-NH1 3.19Å; R307-T309 VanDerWaalsContact C-N 3.33Å; R307-T309 PolarHBondContact O-N 3.12Å; R307-G310 PolarHBondContact O-N 2.9Å; R307-V338 VanDerWaalsContact NH2-CG1 3.26Å
308	S	76.1	Confident	85	Confident	19 Å²	19	30.4 Å²	30.4	13%	0.133	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-68	-25.9	-179.8	53.9	0	0	0	0	115	L221 V222 I223 R306 G310	L221-S308 WeakPolarHBondContact O-CB 3.3Å; L221-S308 PolarHBondContact O-OG 3.06Å; V222-S308 VanDerWaalsContact CA-CB 3.41Å; V222-S308 WeakPolarHBondContact CA-OG 3.41Å; I223-S308 PolarHBondContact N-OG 3.41Å; I223-S308 VanDerWaalsContact N-OG 3.16Å; I223-S308 PolarHBondContact O-OG 2.89Å; R306-S308 PolarHBondContact O-N 3.2Å; R306-S308 VanDerWaalsContact O-N 3.15Å; S308-G310 PolarHBondContact O-N 3.46Å
309	T	74.7	Confident	85.8	Confident	20 Å²	20	29.1 Å²	29.1	12%	0.123	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-66.4	-6.3	177	65.2	0	0	0	0	112.7	I223 R306 R307 Y311	I223-T309 HydrophobicContact CG1-CG2 4.36Å; R306-T309 HydrophobicContact CB-CG2 4.19Å; R306-T309 PolarHBondContact O-N 2.94Å; R306-T309 VanDerWaalsContact O-N 3.09Å; R306-T309 PolarHBondContact O-OG1 2.66Å; R307-T309 VanDerWaalsContact C-N 3.33Å; R307-T309 PolarHBondContact O-N 3.12Å; T309-Y311 WeakPolarHBondContact O-CD2 3.42Å; T309-Y311 PolarHBondContact O-N 2.53Å; T309-Y311 PolarHBondContact OG1-N 3.04Å
310	G	73.6	Confident	86.5	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	79.9	-9.2	-175.2	0	0	0	0	0	113.1	R307 S308 Y593 N594	R307-G310 PolarHBondContact O-N 2.9Å; S308-G310 PolarHBondContact O-N 3.46Å; G310-Y593 CarbonylContact O-C 3.53Å; G310-Y593 WeakPolarHBondContact O-CA 3.39Å; G310-N594 PolarHBondContact O-N 3.25Å
311	Y	79.4	Confident	86.8	Confident	107 Å²	107	26.2 Å²	26.2	42%	0.42	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.2	176.9	-69.4	-88.7	0	0	0	111.6	T309 R592 Y593	T309-Y311 WeakPolarHBondContact O-CD2 3.42Å; T309-Y311 PolarHBondContact O-N 2.53Å; T309-Y311 PolarHBondContact OG1-N 3.04Å; Y311-R592 WeakPolarHBondContact CA-O 3.37Å; Y311-Y593 HydrophobicContact CD2-CD2 4.05Å; Y311-Y593 HydrophobicContact CE1-CD2 4.32Å; Y311-Y593 AromaticContact CE2-CD2 3.76Å; Y311-Y593 HydrophobicContact CE2-CD2 3.76Å; Y311-Y593 HydrophobicContact CE2-CE2 4.4Å; Y311-Y593 HydrophobicContact CG-CD2 4.46Å; Y311-Y593 AromaticContact CZ-CD2 3.91Å
312	S	84.3	Confident	86.9	Confident	22 Å²	22	26.3 Å²	26.3	15%	0.154	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.4	173.4	-174.6	0	0	0	0	110	V314 D336 H591 R592	S312-V314 PolarHBondContact O-N 3.45Å; S312-D336 PolarHBondContact OG-OD2 2.88Å; S312-D336 VanDerWaalsContact OG-OD2 3.11Å; S312-H591 WeakPolarHBondContact O-CA 3.41Å; S312-R592 PolarHBondContact N-O 3.41Å; S312-R592 PolarHBondContact O-N 2.65Å
313	E	89.6	Confident	86.4	Confident	7 Å²	7	32 Å²	32	3%	0.033	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.4	165.3	-73	-169.1	96.9	0	0	108.9	M299 R304 C542 N543 T589 H591	M299-E313 VanDerWaalsContact CE-OE1 3.26Å; M299-E313 WeakPolarHBondContact CE-OE1 3.14Å; R304-E313 IonicContact NE-OE2 3.07Å; E313-C542 PolarHBondContact O-SG 2.83Å; E313-C542 VanDerWaalsContact O-SG 3.38Å; E313-N543 VanDerWaalsContact OE2-CA 3.27Å; E313-N543 WeakPolarHBondContact OE2-CA 3.05Å; E313-N543 PolarHBondContact OE2-N 2.91Å; E313-N543 PolarHBondContact OE2-OD1 2.8Å; E313-T589 HydrophobicContact CB-CG2 4.19Å; E313-H591 VanDerWaalsContact CG-CD2 3.44Å; E313-H591 WeakPolarHBondContact CG-CD2 3.45Å; E313-H591 VanDerWaalsContact CG-NE2 3.34Å; E313-H591 WeakPolarHBondContact CG-NE2 3.18Å
314	V	93.2	Very high	85.7	Confident	5 Å²	5	36 Å²	36	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.8	179.7	-59.5	0	0	0	0	110.8	S312 V316 C334 Y335 D336 T589 I590 R592	S312-V314 PolarHBondContact O-N 3.45Å; V314-V316 HydrophobicContact CG2-CG2 4.45Å; V314-C334 HydrophobicContact CB-CB 4.34Å; V314-C334 HydrophobicContact CG2-CB 4.09Å; V314-Y335 WeakPolarHBondContact CA-O 3.44Å; V314-Y335 WeakPolarHBondContact CB-O 3.41Å; V314-D336 HydrophobicContact CG1-CB 4.01Å; V314-T589 WeakPolarHBondContact O-CA 3.45Å; V314-I590 HydrophobicContact CG2-CG1 3.81Å; V314-I590 PolarHBondContact N-O 2.8Å; V314-I590 PolarHBondContact O-N 2.99Å; V314-R592 HydrophobicContact CG1-CB 4.31Å; V314-R592 HydrophobicContact CG2-CB 3.66Å
315	I	95.8	Very high	85	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.2	175.8	-57.8	173.2	0	0	0	108	C334 Y335 P337 C542 Y547 L549 C587 V588	I315-C334 CarbonylContact O-C 3.59Å; I315-C334 VanDerWaalsContact O-CA 3.23Å; I315-C334 WeakPolarHBondContact O-CA 3.47Å; I315-Y335 HydrophobicContact CD1-CD1 4.38Å; I315-Y335 PolarHBondContact N-O 3.03Å; I315-Y335 PolarHBondContact O-N 3Å; I315-P337 HydrophobicContact CD1-CG 4.09Å; I315-P337 HydrophobicContact CG1-CG 4.39Å; I315-C542 HydrophobicContact CD1-CB 3.94Å; I315-C542 HydrophobicContact CG1-CB 3.75Å; I315-Y547 HydrophobicContact CD1-CD1 3.78Å; I315-Y547 HydrophobicContact CD1-CD2 3.69Å; I315-Y547 HydrophobicContact CD1-CE1 4.42Å; I315-Y547 HydrophobicContact CD1-CE2 4.34Å; I315-Y547 HydrophobicContact CD1-CG 3.38Å; I315-L549 HydrophobicContact CD1-CD1 4.33Å; I315-L549 HydrophobicContact CG2-CD1 4.14Å; I315-L549 HydrophobicContact CG2-CD2 4.15Å; I315-C587 VanDerWaalsContact CG2-SG 3.57Å; I315-V588 CarbonylContact C-O 3.55Å; I315-V588 WeakPolarHBondContact CA-O 3.44Å
316	V	96.4	Very high	84.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.4	177.2	-176.8	0	0	0	0	110	V314 V318 T332 E333 C334 L345 I365 C587 V588 I590	V314-V316 HydrophobicContact CG2-CG2 4.45Å; V316-V318 HydrophobicContact CG1-CG2 3.95Å; V316-T332 HydrophobicContact CG1-CG2 3.6Å; V316-E333 CarbonylContact C-O 3.6Å; V316-E333 WeakPolarHBondContact CA-O 3.39Å; V316-C334 HydrophobicContact CG2-CB 3.9Å; V316-L345 HydrophobicContact CG1-CD1 3.91Å; V316-L345 HydrophobicContact CG2-CD1 4.11Å; V316-I365 HydrophobicContact CB-CD1 3.74Å; V316-I365 HydrophobicContact CG1-CD1 3.62Å; V316-I365 HydrophobicContact CG2-CD1 3.92Å; V316-C587 WeakPolarHBondContact O-CA 3.4Å; V316-V588 HydrophobicContact CB-CG2 4.14Å; V316-V588 PolarHBondContact N-O 3.5Å; V316-V588 PolarHBondContact O-N 3.26Å; V316-V588 VanDerWaalsContact O-N 3.11Å; V316-I590 HydrophobicContact CG2-CD1 3.76Å; V316-I590 HydrophobicContact CG2-CG1 3.75Å
317	V	95.8	Very high	84.3	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.3	172.2	178.1	0	0	0	0	108.7	T332 E333 W342 L549 M578 H585 G586	V317-T332 WeakPolarHBondContact O-CA 3.45Å; V317-E333 PolarHBondContact N-O 3.47Å; V317-E333 PolarHBondContact O-N 3.11Å; V317-W342 HydrophobicContact CB-CZ3 4.48Å; V317-W342 HydrophobicContact CG2-CH2 3.97Å; V317-W342 HydrophobicContact CG2-CZ3 4.11Å; V317-L549 HydrophobicContact CG2-CD2 3.91Å; V317-M578 HydrophobicContact CG2-SD 4.4Å; V317-H585 HydrophobicContact CG1-CB 3.96Å; V317-G586 WeakPolarHBondContact CA-O 3.45Å
318	V	95.5	Very high	84.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.5	-175.3	-171.1	0	0	0	0	110.2	V316 T332 L348 Y356 V358 I365 V367 W387 H585 G586	V316-V318 HydrophobicContact CG1-CG2 3.95Å; V318-T332 HydrophobicContact CG2-CG2 4.22Å; V318-L348 HydrophobicContact CG1-CD2 4.22Å; V318-Y356 PolarHBondContact O-OH 3.43Å; V318-V358 HydrophobicContact CB-CG1 4.47Å; V318-V358 HydrophobicContact CB-CG2 4.33Å; V318-V358 HydrophobicContact CG2-CG1 4.06Å; V318-I365 HydrophobicContact CG2-CG2 4.31Å; V318-V367 HydrophobicContact CG1-CG2 3.97Å; V318-W387 HydrophobicContact CG1-CH2 4.05Å; V318-W387 HydrophobicContact CG1-CZ2 4.09Å; V318-H585 WeakPolarHBondContact O-CA 3.21Å; V318-G586 PolarHBondContact N-O 2.85Å; V318-G586 PolarHBondContact O-N 2.7Å
319	G	93.2	Very high	85.3	Confident	4 Å²	4	41.1 Å²	41.1	4%	0.041	22%	0.218	C	C	.	.			trans	57.9	-130.7	173.1	0	0	0	0	0	114.8	L329 Y331 Y356 V582 H585	G319-L329 VanDerWaalsContact CA-O 3.22Å; G319-L329 WeakPolarHBondContact CA-O 3.45Å; G319-Y331 WeakPolarHBondContact CA-O 3.43Å; G319-Y331 PolarHBondContact N-O 2.86Å; G319-Y356 WeakPolarHBondContact CA-OH 3.42Å; G319-V582 WeakPolarHBondContact O-CG1 3.18Å; G319-H585 WeakPolarHBondContact O-CB 3.41Å
320	G	91.2	Very high	86	Confident	2 Å²	2	41 Å²	41	2%	0.021	22%	0.217	C	C	.	.			trans	92.4	-161.8	-174.4	0	0	0	0	0	113.4	N328 L329 Y356 S583	G320-N328 WeakPolarHBondContact O-CA 3.44Å; G320-L329 PolarHBondContact O-N 3.46Å; G320-Y356 PolarHBondContact N-OH 2.84Å; G320-S583 CarbonylContact C-O 3.57Å; G320-S583 VanDerWaalsContact CA-O 3.29Å; G320-S583 WeakPolarHBondContact CA-O 3.49Å
321	C	89.1	Confident	86.9	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.041	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-148.4	152.2	177.9	64.8	0	0	0	0	112.6	R323 S583	C321-R323 PolarHBondContact SG-O 3.17Å; C321-S583 PolarHBondContact N-O 2.56Å; C321-S583 PolarHBondContact O-N 3.1Å; C321-S583 PolarHBondContact O-OG 3.14Å
322	E	84.2	Confident	87.7	Confident	96 Å²	96	39.7 Å²	39.7	45%	0.449	21%	0.212	S	C	.	.	S	Bend	trans	-79.7	-27.7	-179.6	-58.3	-179.9	170.5	0	0	112.4	L329 A558 R580	E322-L329 HydrophobicContact CG-CD1 4.08Å; E322-L329 HydrophobicContact CG-CD2 4.44Å; E322-A558 WeakPolarHBondContact O-CB 3.44Å; E322-R580 IonicContact OE1-NH1 3.7Å
323	R	79.7	Confident	88.2	Confident	171 Å²	171	39.7 Å²	39.7	65%	0.645	21%	0.209	S	C	*	.	S	Bend	trans	-146.1	153.9	176.8	68.1	-176.4	-176.7	-166.3	-1.2	111.1	C321 G325 G326	C321-R323 PolarHBondContact SG-O 3.17Å; R323-G325 PolarHBondContact O-N 3.45Å; R323-G326 PolarHBondContact O-N 2.7Å
324	V	72.5	Confident	88.4	Confident	85 Å²	85	39.5 Å²	39.5	52%	0.515	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	124.2	175.4	-172	0	0	0	0	109.5	G326	V324-G326 PolarHBondContact O-N 2.92Å
325	G	70.8	Confident	88.5	Confident	75 Å²	75	39.4 Å²	39.4	77%	0.773	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	7.1	-175.5	0	0	0	0	0	114.7	R323	R323-G325 PolarHBondContact O-N 3.45Å
326	G	75.4	Confident	88.3	Confident	18 Å²	18	39.9 Å²	39.9	19%	0.186	21%	0.211	C	C	.	.	S	Bend	trans	-75.6	-177.4	171	0	0	0	0	0	113.3	R323 V324	R323-G326 PolarHBondContact O-N 2.7Å; V324-G326 PolarHBondContact O-N 2.92Å
327	F	81.1	Confident	88.1	Confident	186 Å²	186	40.9 Å²	40.9	82%	0.816	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-66.9	135.6	172.7	-64.3	-76.4	0	0	0	110.3
328	N	87.4	Confident	87.7	Confident	34 Å²	34	43.5 Å²	43.5	18%	0.182	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-75.4	142.4	171.2	-66.6	-38.9	0	0	0	109.5	G320 F351 T352 S354	G320-N328 WeakPolarHBondContact O-CA 3.44Å; N328-F351 WeakPolarHBondContact CB-O 3.35Å; N328-F351 WeakPolarHBondContact O-CD2 3.36Å; N328-T352 PolarHBondContact ND2-O 3.14Å; N328-S354 WeakPolarHBondContact OD1-CB 3.44Å
329	L	88.1	Confident	87.3	Confident	17 Å²	17	47 Å²	47	9%	0.089	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-92.5	133.3	-173.1	-62.8	172	0	0	0	110.4	G319 G320 E322 Y331 V582	G319-L329 VanDerWaalsContact CA-O 3.22Å; G319-L329 WeakPolarHBondContact CA-O 3.45Å; G320-L329 PolarHBondContact O-N 3.46Å; E322-L329 HydrophobicContact CG-CD1 4.08Å; E322-L329 HydrophobicContact CG-CD2 4.44Å; L329-Y331 HydrophobicContact CB-CD2 4.05Å; L329-Y331 HydrophobicContact CD2-CD2 4.16Å; L329-Y331 HydrophobicContact CD2-CE2 3.98Å; L329-Y331 PolarHBondContact O-N 2.94Å; L329-V582 HydrophobicContact CD1-CG1 4.23Å; L329-V582 HydrophobicContact CD1-CG2 3.92Å
330	P	90.7	Very high	87.2	Confident	17 Å²	17	48.7 Å²	48.7	11%	0.11	27%	0.271	C	S	.	.			trans	-81	-4.6	177	33.4	-36.2	0	0	0	113.5	K347 L348 F351	P330-K347 HydrophobicContact CB-CB 4.27Å; P330-K347 HydrophobicContact CB-CD 4.28Å; P330-K347 HydrophobicContact CB-CG 4.42Å; P330-K347 HydrophobicContact CG-CD 4.38Å; P330-K347 CarbonylContact O-C 3.59Å; P330-K347 VanDerWaalsContact O-CA 3.24Å; P330-K347 WeakPolarHBondContact O-CA 3.48Å; P330-K347 WeakPolarHBondContact O-CB 3.47Å; P330-L348 PolarHBondContact O-N 2.92Å; P330-F351 HydrophobicContact CB-CB 3.97Å; P330-F351 HydrophobicContact CB-CD1 3.63Å; P330-F351 HydrophobicContact CB-CD2 3.82Å; P330-F351 HydrophobicContact CB-CE1 4.03Å; P330-F351 HydrophobicContact CB-CE2 4.2Å; P330-F351 HydrophobicContact CB-CG 3.52Å; P330-F351 HydrophobicContact CB-CZ 4.29Å; P330-F351 HydrophobicContact CG-CD2 4.35Å; P330-F351 HydrophobicContact CG-CE2 4.39Å
331	Y	92.6	Very high	87.2	Confident	79 Å²	79	52 Å²	52	31%	0.31	29%	0.287	S	S	.	.			trans	-76.8	137.2	-164.2	-54.1	-58	0	0	0	111.8	G319 L329	G319-Y331 WeakPolarHBondContact CA-O 3.43Å; G319-Y331 PolarHBondContact N-O 2.86Å; L329-Y331 HydrophobicContact CB-CD2 4.05Å; L329-Y331 HydrophobicContact CD2-CD2 4.16Å; L329-Y331 HydrophobicContact CD2-CE2 3.98Å; L329-Y331 PolarHBondContact O-N 2.94Å
332	T	94.4	Very high	87.5	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.2	164.8	-57.9	0	0	0	0	105.1	V316 V317 V318 L345 A346 W387	V316-T332 HydrophobicContact CG1-CG2 3.6Å; V317-T332 WeakPolarHBondContact O-CA 3.45Å; V318-T332 HydrophobicContact CG2-CG2 4.22Å; T332-L345 HydrophobicContact CG2-CB 3.8Å; T332-L345 HydrophobicContact CG2-CD1 3.81Å; T332-L345 HydrophobicContact CG2-CG 4.32Å; T332-L345 WeakPolarHBondContact O-CA 3.27Å; T332-L345 WeakPolarHBondContact O-CB 3.49Å; T332-L345 PolarHBondContact O-N 3.3Å; T332-A346 VanDerWaalsContact CB-O 3.3Å; T332-A346 WeakPolarHBondContact CB-O 3.4Å; T332-A346 PolarHBondContact OG1-O 3.06Å; T332-W387 HydrophobicContact CG2-CZ2 4.19Å
333	E	94.5	Very high	87.9	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.6	-173.3	-60	-176.9	114.6	0	0	108.7	V316 V317 W342 K343 R580	V316-E333 CarbonylContact C-O 3.6Å; V316-E333 WeakPolarHBondContact CA-O 3.39Å; V317-E333 PolarHBondContact N-O 3.47Å; V317-E333 PolarHBondContact O-N 3.11Å; E333-W342 HydrophobicContact CB-CE3 3.9Å; E333-W342 HydrophobicContact CB-CZ3 4.03Å; E333-K343 WeakPolarHBondContact CA-O 3.39Å; E333-R580 IonicContact OE2-NE 3.21Å
334	C	94.5	Very high	88.6	Confident	4 Å²	4	49 Å²	49	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.1	173.9	80.8	0	0	0	0	111.2	V314 I315 V316 W342 K343 L345 R592	V314-C334 HydrophobicContact CB-CB 4.34Å; V314-C334 HydrophobicContact CG2-CB 4.09Å; I315-C334 CarbonylContact O-C 3.59Å; I315-C334 VanDerWaalsContact O-CA 3.23Å; I315-C334 WeakPolarHBondContact O-CA 3.47Å; V316-C334 HydrophobicContact CG2-CB 3.9Å; C334-W342 CarbonylContact O-C 3.55Å; C334-W342 VanDerWaalsContact O-CA 3.31Å; C334-W342 WeakPolarHBondContact O-CA 3.33Å; C334-K343 PolarHBondContact N-O 2.99Å; C334-K343 PolarHBondContact O-N 2.85Å; C334-L345 HydrophobicContact CB-CD1 4.14Å; C334-L345 HydrophobicContact CB-CG 4.46Å; C334-R592 PolarHBondContact SG-NH1 3.29Å
335	Y	94.9	Very high	89.6	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	175.7	175	-116	0	0	0	109.1	V314 I315 P337 W342 I562 V575 A576	V314-Y335 WeakPolarHBondContact CA-O 3.44Å; V314-Y335 WeakPolarHBondContact CB-O 3.41Å; I315-Y335 HydrophobicContact CD1-CD1 4.38Å; I315-Y335 PolarHBondContact N-O 3.03Å; I315-Y335 PolarHBondContact O-N 3Å; Y335-P337 HydrophobicContact CD1-CB 4.49Å; Y335-P337 HydrophobicContact CD1-CG 3.98Å; Y335-P337 HydrophobicContact CE1-CB 3.88Å; Y335-P337 HydrophobicContact CE1-CG 3.86Å; Y335-P337 WeakPolarHBondContact O-CD 3.34Å; Y335-W342 AromaticContact CD2-CD1 3.76Å; Y335-W342 AromaticContact CD2-CD2 3.95Å; Y335-W342 HydrophobicContact CD2-CD2 3.95Å; Y335-W342 AromaticContact CD2-CE2 3.45Å; Y335-W342 VanDerWaalsContact CD2-CE2 3.45Å; Y335-W342 HydrophobicContact CD2-CG 4.14Å; Y335-W342 AromaticContact CD2-CZ2 3.9Å; Y335-W342 HydrophobicContact CD2-CZ2 3.9Å; Y335-W342 AromaticContact CD2-NE1 3.35Å; Y335-W342 AromaticContact CE2-NE1 3.82Å; Y335-W342 HydrophobicContact CG-CD2 4.31Å; Y335-W342 AromaticContact CG-CE2 3.83Å; Y335-W342 HydrophobicContact CG-CH2 4.32Å; Y335-W342 AromaticContact CG-CZ2 3.83Å; Y335-W342 HydrophobicContact CG-CZ2 3.83Å; Y335-I562 HydrophobicContact CE1-CD1 4.38Å; Y335-V575 WeakPolarHBondContact OH-CG1 3.26Å; Y335-A576 HydrophobicContact CE2-CB 4.38Å
336	D	92.5	Very high	90.7	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.053	24%	0.237	C	C	.	.			trans	-97.6	110.5	170.5	-178.2	-32.7	0	0	0	108.7	S312 V314 V338 T339 G340 E341	S312-D336 PolarHBondContact OG-OD2 2.88Å; S312-D336 VanDerWaalsContact OG-OD2 3.11Å; V314-D336 HydrophobicContact CG1-CB 4.01Å; D336-V338 PolarHBondContact O-N 3.1Å; D336-V338 WeakPolarHBondContact OD1-CA 3.31Å; D336-V338 VanDerWaalsContact OD1-CB 3.29Å; D336-V338 WeakPolarHBondContact OD1-CB 3.39Å; D336-V338 PolarHBondContact OD1-N 2.88Å; D336-T339 WeakPolarHBondContact CB-OG1 3.27Å; D336-T339 PolarHBondContact O-N 2.77Å; D336-T339 PolarHBondContact OD1-N 3.47Å; D336-G340 VanDerWaalsContact O-CA 3.3Å; D336-G340 WeakPolarHBondContact O-CA 3.23Å; D336-G340 PolarHBondContact O-N 2.78Å; D336-E341 PolarHBondContact N-O 2.97Å
337	P	91.6	Very high	91.6	Very high	20 Å²	20	48.9 Å²	48.9	13%	0.13	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.5	-177.7	-19.8	32.6	0	0	0	114.9	I315 Y335 C542 Y547	I315-P337 HydrophobicContact CD1-CG 4.09Å; I315-P337 HydrophobicContact CG1-CG 4.39Å; Y335-P337 HydrophobicContact CD1-CB 4.49Å; Y335-P337 HydrophobicContact CD1-CG 3.98Å; Y335-P337 HydrophobicContact CE1-CB 3.88Å; Y335-P337 HydrophobicContact CE1-CG 3.86Å; Y335-P337 WeakPolarHBondContact O-CD 3.34Å; P337-C542 HydrophobicContact CG-CB 4.43Å; P337-Y547 HydrophobicContact CB-CE1 3.94Å; P337-Y547 VanDerWaalsContact CB-OH 3.24Å; P337-Y547 WeakPolarHBondContact CB-OH 3.35Å; P337-Y547 HydrophobicContact CG-CE1 4.16Å; P337-Y547 HydrophobicContact CG-CE2 4.37Å
338	V	86.9	Confident	92.2	Very high	64 Å²	64	40.4 Å²	40.4	39%	0.388	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-46.4	179.3	177.6	0	0	0	0	110.2	R307 D336	R307-V338 VanDerWaalsContact NH2-CG1 3.26Å; D336-V338 PolarHBondContact O-N 3.1Å; D336-V338 WeakPolarHBondContact OD1-CA 3.31Å; D336-V338 VanDerWaalsContact OD1-CB 3.29Å; D336-V338 WeakPolarHBondContact OD1-CB 3.39Å; D336-V338 PolarHBondContact OD1-N 2.88Å
339	T	88.2	Confident	92.3	Very high	74 Å²	74	40.6 Å²	40.6	45%	0.454	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-19.8	-179.1	65	0	0	0	0	113.1	D336 E341	D336-T339 WeakPolarHBondContact CB-OG1 3.27Å; D336-T339 PolarHBondContact O-N 2.77Å; D336-T339 PolarHBondContact OD1-N 3.47Å; T339-E341 PolarHBondContact O-N 2.66Å; T339-E341 PolarHBondContact OG1-N 3.28Å
340	G	91	Very high	91.9	Very high	38 Å²	38	43.7 Å²	43.7	39%	0.392	24%	0.237	S	C	.	.			trans	72.5	3.1	-171.6	0	0	0	0	0	113.7	D336	D336-G340 VanDerWaalsContact O-CA 3.3Å; D336-G340 WeakPolarHBondContact O-CA 3.23Å; D336-G340 PolarHBondContact O-N 2.78Å
341	E	91.9	Very high	91.3	Very high	73 Å²	73	47 Å²	47	34%	0.341	25%	0.25	S	C	.	.			trans	-78.2	139.6	-177.5	-69	-169.3	163.3	0	0	111.7	D336 T339 K343 K596	D336-E341 PolarHBondContact N-O 2.97Å; T339-E341 PolarHBondContact O-N 2.66Å; T339-E341 PolarHBondContact OG1-N 3.28Å; E341-K343 WeakPolarHBondContact OE2-CE 3.46Å; E341-K343 IonicContact OE2-NZ 3.7Å; E341-K596 IonicContact OE1-NZ 2.7Å; E341-K596 PolarHBondContact OE1-NZ 2.69Å; E341-K596 IonicContact OE2-NZ 2.6Å; E341-K596 PolarHBondContact OE2-NZ 3.1Å
342	W	93.7	Very high	90.6	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.3	166.1	-75.1	89.9	0	0	0	110.4	V317 E333 C334 Y335 L549 I562 A577 M578 P579	V317-W342 HydrophobicContact CB-CZ3 4.48Å; V317-W342 HydrophobicContact CG2-CH2 3.97Å; V317-W342 HydrophobicContact CG2-CZ3 4.11Å; E333-W342 HydrophobicContact CB-CE3 3.9Å; E333-W342 HydrophobicContact CB-CZ3 4.03Å; C334-W342 CarbonylContact O-C 3.55Å; C334-W342 VanDerWaalsContact O-CA 3.31Å; C334-W342 WeakPolarHBondContact O-CA 3.33Å; Y335-W342 AromaticContact CD2-CD1 3.76Å; Y335-W342 AromaticContact CD2-CD2 3.95Å; Y335-W342 HydrophobicContact CD2-CD2 3.95Å; Y335-W342 AromaticContact CD2-CE2 3.45Å; Y335-W342 VanDerWaalsContact CD2-CE2 3.45Å; Y335-W342 HydrophobicContact CD2-CG 4.14Å; Y335-W342 AromaticContact CD2-CZ2 3.9Å; Y335-W342 HydrophobicContact CD2-CZ2 3.9Å; Y335-W342 AromaticContact CD2-NE1 3.35Å; Y335-W342 AromaticContact CE2-NE1 3.82Å; Y335-W342 HydrophobicContact CG-CD2 4.31Å; Y335-W342 AromaticContact CG-CE2 3.83Å; Y335-W342 HydrophobicContact CG-CH2 4.32Å; Y335-W342 AromaticContact CG-CZ2 3.83Å; Y335-W342 HydrophobicContact CG-CZ2 3.83Å; W342-L549 HydrophobicContact CH2-CD2 4.19Å; W342-I562 HydrophobicContact CZ2-CD1 3.67Å; W342-A577 PolarHBondContact NE1-O 3.4Å; W342-M578 HydrophobicContact CH2-CB 4.26Å; W342-M578 HydrophobicContact CH2-CG 3.86Å; W342-M578 HydrophobicContact CZ2-CB 4.08Å; W342-M578 HydrophobicContact CZ2-CG 3.82Å; W342-P579 HydrophobicContact CB-CG 4.19Å; W342-P579 HydrophobicContact CD2-CG 3.71Å; W342-P579 HydrophobicContact CE3-CG 3.95Å; W342-P579 HydrophobicContact CG-CG 3.82Å
343	K	93.1	Very high	90.1	Very high	61 Å²	61	50 Å²	50	27%	0.265	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.9	174.8	-62.6	177.2	-179.1	173.1	0	110.9	E333 C334 E341 N594	E333-K343 WeakPolarHBondContact CA-O 3.39Å; C334-K343 PolarHBondContact N-O 2.99Å; C334-K343 PolarHBondContact O-N 2.85Å; E341-K343 WeakPolarHBondContact OE2-CE 3.46Å; E341-K343 IonicContact OE2-NZ 3.7Å; K343-N594 PolarHBondContact NZ-OD1 3.17Å
344	S	94	Very high	89.7	Confident	89 Å²	89	49.7 Å²	49.7	62%	0.622	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	141.1	173.6	-52	0	0	0	0	111.4
345	L	94.4	Very high	89.5	Confident	14 Å²	14	50.3 Å²	50.3	7%	0.073	28%	0.276	C	S	.	.			trans	-111.7	178.8	172.6	-58.7	-178.2	0	0	0	109.8	V316 T332 C334 K347 Y380	V316-L345 HydrophobicContact CG1-CD1 3.91Å; V316-L345 HydrophobicContact CG2-CD1 4.11Å; T332-L345 HydrophobicContact CG2-CB 3.8Å; T332-L345 HydrophobicContact CG2-CD1 3.81Å; T332-L345 HydrophobicContact CG2-CG 4.32Å; T332-L345 WeakPolarHBondContact O-CA 3.27Å; T332-L345 WeakPolarHBondContact O-CB 3.49Å; T332-L345 PolarHBondContact O-N 3.3Å; C334-L345 HydrophobicContact CB-CD1 4.14Å; C334-L345 HydrophobicContact CB-CG 4.46Å; L345-K347 PolarHBondContact O-N 3.23Å; L345-Y380 HydrophobicContact CB-CE2 4.46Å; L345-Y380 HydrophobicContact CD1-CE1 4.03Å; L345-Y380 WeakPolarHBondContact CD2-OH 3.42Å
346	A	94.5	Very high	89.5	Confident	23 Å²	23	51.2 Å²	51.2	19%	0.19	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-56.1	134.6	174.7	0	0	0	0	0	111.5	T332 Y380 N385 W387	T332-A346 VanDerWaalsContact CB-O 3.3Å; T332-A346 WeakPolarHBondContact CB-O 3.4Å; T332-A346 PolarHBondContact OG1-O 3.06Å; A346-Y380 HydrophobicContact CB-CE2 4Å; A346-N385 VanDerWaalsContact CB-O 3.27Å; A346-N385 WeakPolarHBondContact CB-O 3.31Å; A346-N385 WeakPolarHBondContact CB-OD1 3.06Å; A346-N385 PolarHBondContact N-OD1 2.81Å; A346-W387 PolarHBondContact O-NE1 3.23Å
347	K	94.5	Very high	89.7	Confident	138 Å²	138	50.9 Å²	50.9	60%	0.6	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-65	141.7	-179.8	-68	-179.5	-177.8	179	0	110.8	P330 L345 P349 W387	P330-K347 HydrophobicContact CB-CB 4.27Å; P330-K347 HydrophobicContact CB-CD 4.28Å; P330-K347 HydrophobicContact CB-CG 4.42Å; P330-K347 HydrophobicContact CG-CD 4.38Å; P330-K347 CarbonylContact O-C 3.59Å; P330-K347 VanDerWaalsContact O-CA 3.24Å; P330-K347 WeakPolarHBondContact O-CA 3.48Å; P330-K347 WeakPolarHBondContact O-CB 3.47Å; L345-K347 PolarHBondContact O-N 3.23Å; K347-P349 WeakPolarHBondContact O-CD 3.39Å; K347-W387 PolarHBondContact O-NE1 3.11Å
348	L	92.1	Very high	89.9	Confident	9 Å²	9	51 Å²	51	5%	0.047	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-64.3	123.5	176.1	179.3	65.3	0	0	0	109.7	V318 P330 Y356 V367 W387	V318-L348 HydrophobicContact CG1-CD2 4.22Å; P330-L348 PolarHBondContact O-N 2.92Å; L348-Y356 HydrophobicContact CD2-CE1 4.44Å; L348-V367 HydrophobicContact CD1-CB 4.24Å; L348-V367 HydrophobicContact CD1-CG1 4.31Å; L348-V367 HydrophobicContact CD1-CG2 3.98Å; L348-V367 HydrophobicContact CD2-CG1 4.4Å; L348-W387 HydrophobicContact CD1-CD2 4.07Å; L348-W387 HydrophobicContact CD1-CE3 3.99Å; L348-W387 HydrophobicContact CD1-CH2 3.88Å; L348-W387 HydrophobicContact CD1-CZ2 3.94Å; L348-W387 HydrophobicContact CD1-CZ3 3.9Å
349	P	89.2	Confident	90.3	Very high	38 Å²	38	48.3 Å²	48.3	25%	0.247	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	150.6	172.2	-23.2	36	0	0	0	111.2	K347 F351 W378 W387	K347-P349 WeakPolarHBondContact O-CD 3.39Å; P349-F351 PolarHBondContact O-N 3.19Å; P349-F351 VanDerWaalsContact O-N 3.11Å; P349-W378 HydrophobicContact CB-CD2 4.09Å; P349-W378 HydrophobicContact CB-CE3 3.99Å; P349-W378 HydrophobicContact CB-CH2 3.56Å; P349-W378 HydrophobicContact CB-CZ2 3.67Å; P349-W378 HydrophobicContact CB-CZ3 3.73Å; P349-W378 HydrophobicContact CG-CD2 4.17Å; P349-W378 HydrophobicContact CG-CE3 3.71Å; P349-W378 HydrophobicContact CG-CH2 4.01Å; P349-W378 HydrophobicContact CG-CZ2 4.44Å; P349-W378 HydrophobicContact CG-CZ3 3.63Å; P349-W387 VanDerWaalsContact CD-CB 3.45Å; P349-W387 VanDerWaalsContact CD-CG 3.4Å; P349-W387 HydrophobicContact CG-CB 3.52Å; P349-W387 HydrophobicContact CG-CG 4.05Å
350	E	81.1	Confident	90.6	Very high	81 Å²	81	46.1 Å²	46.1	38%	0.379	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.3	178.5	-59	-176.5	-159.4	0	0	114.4	T352 K353 W378	E350-T352 PolarHBondContact O-N 3.36Å; E350-K353 IonicContact OE2-NZ 3.61Å; E350-K353 PolarHBondContact OE2-NZ 2.72Å; E350-W378 HydrophobicContact CG-CZ2 4.25Å
351	F	77.2	Confident	90.7	Very high	86 Å²	86	44.9 Å²	44.9	38%	0.377	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	3.2	-179.1	66.4	-87.3	0	0	0	115.4	N328 P330 P349 K353	N328-F351 WeakPolarHBondContact CB-O 3.35Å; N328-F351 WeakPolarHBondContact O-CD2 3.36Å; P330-F351 HydrophobicContact CB-CB 3.97Å; P330-F351 HydrophobicContact CB-CD1 3.63Å; P330-F351 HydrophobicContact CB-CD2 3.82Å; P330-F351 HydrophobicContact CB-CE1 4.03Å; P330-F351 HydrophobicContact CB-CE2 4.2Å; P330-F351 HydrophobicContact CB-CG 3.52Å; P330-F351 HydrophobicContact CB-CZ 4.29Å; P330-F351 HydrophobicContact CG-CD2 4.35Å; P330-F351 HydrophobicContact CG-CE2 4.39Å; P349-F351 PolarHBondContact O-N 3.19Å; P349-F351 VanDerWaalsContact O-N 3.11Å; F351-K353 PolarHBondContact O-N 3.38Å
352	T	78.5	Confident	90.5	Very high	106 Å²	106	47.6 Å²	47.6	65%	0.65	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.7	177.5	56.2	0	0	0	0	112.8	N328 E350	N328-T352 PolarHBondContact ND2-O 3.14Å; E350-T352 PolarHBondContact O-N 3.36Å
353	K	83.1	Confident	90.3	Very high	39 Å²	39	46.7 Å²	46.7	17%	0.17	24%	0.243	C	C	.	.			trans	-92.2	146.8	-179.6	-61.2	164.5	-172.8	161.8	0	111.3	E350 F351 S374 D376	E350-K353 IonicContact OE2-NZ 3.61Å; E350-K353 PolarHBondContact OE2-NZ 2.72Å; F351-K353 PolarHBondContact O-N 3.38Å; K353-S374 WeakPolarHBondContact CD-OG 3.16Å; K353-S374 WeakPolarHBondContact CE-OG 3.3Å; K353-S374 PolarHBondContact NZ-OG 2.92Å; K353-S374 VanDerWaalsContact NZ-OG 3.14Å; K353-D376 IonicContact NZ-OD2 2.88Å; K353-D376 PolarHBondContact NZ-OD2 3.35Å
354	S	87	Confident	90.3	Very high	14 Å²	14	46.1 Å²	46.1	10%	0.098	24%	0.242	C	C	.	.			trans	-121.5	171.7	173.8	68.9	0	0	0	0	110.6	N328 Y356 G370 R371	N328-S354 WeakPolarHBondContact OD1-CB 3.44Å; S354-Y356 PolarHBondContact O-N 2.95Å; S354-Y356 VanDerWaalsContact O-N 3.17Å; S354-G370 CarbonylContact O-C 3.59Å; S354-G370 VanDerWaalsContact O-CA 3.32Å; S354-G370 WeakPolarHBondContact O-CA 3.44Å; S354-R371 PolarHBondContact O-N 3.06Å
355	E	90.7	Very high	90.4	Very high	17 Å²	17	41.9 Å²	41.9	8%	0.079	21%	0.213	C	C	.	.	S	Bend	trans	56.9	30.2	174.8	-53.4	-176.3	159.9	0	0	113.8	W398 R399 Y584	E355-W398 HydrophobicContact CB-CB 4.23Å; E355-W398 PolarHBondContact OE2-NE1 3.06Å; E355-R399 HydrophobicContact CB-CG 4.19Å; E355-R399 HydrophobicContact CG-CG 4.42Å; E355-R399 PolarHBondContact O-N 2.79Å; E355-R399 IonicContact OE1-CZ 3.84Å; E355-R399 IonicContact OE1-NE 2.78Å; E355-R399 PolarHBondContact OE1-NE 3.08Å; E355-R399 IonicContact OE1-NH2 2.65Å; E355-R399 PolarHBondContact OE1-NH2 2.88Å; E355-R399 WeakPolarHBondContact OE2-CG 3.46Å; E355-R399 IonicContact OE2-CZ 3.16Å; E355-R399 IonicContact OE2-NE 3.53Å; E355-R399 PolarHBondContact OE2-NE 2.75Å; E355-R399 IonicContact OE2-NH2 3.63Å; E355-Y584 HydrophobicContact CG-CD1 3.88Å; E355-Y584 HydrophobicContact CG-CE1 4.11Å
356	Y	94.2	Very high	90.5	Very high	23 Å²	23	41.2 Å²	41.2	9%	0.09	21%	0.209	C	C	.	.			trans	-77.1	170.8	168.3	52.2	-99.8	0	0	0	110.8	V318 G319 G320 L348 S354 V358 V367 S368	V318-Y356 PolarHBondContact O-OH 3.43Å; G319-Y356 WeakPolarHBondContact CA-OH 3.42Å; G320-Y356 PolarHBondContact N-OH 2.84Å; L348-Y356 HydrophobicContact CD2-CE1 4.44Å; S354-Y356 PolarHBondContact O-N 2.95Å; S354-Y356 VanDerWaalsContact O-N 3.17Å; Y356-V358 HydrophobicContact CD2-CG2 3.56Å; Y356-V358 HydrophobicContact CE2-CG2 3.47Å; Y356-V358 VanDerWaalsContact CE2-CG2 3.47Å; Y356-V367 HydrophobicContact CD2-CG1 3.65Å; Y356-V367 HydrophobicContact CE2-CG1 4.21Å; Y356-V367 HydrophobicContact CG-CG1 3.91Å; Y356-S368 VanDerWaalsContact CB-O 3.32Å; Y356-S368 WeakPolarHBondContact CB-O 3.23Å
357	A	96.2	Very high	90.6	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	152.1	170.7	0	0	0	0	0	110.6	V367 S368 H400 M402	A357-V367 WeakPolarHBondContact O-CA 3.39Å; A357-S368 PolarHBondContact N-O 2.98Å; A357-S368 VanDerWaalsContact N-O 3.1Å; A357-S368 PolarHBondContact O-N 3.29Å; A357-H400 VanDerWaalsContact CB-CD2 3.47Å; A357-H400 WeakPolarHBondContact CB-CD2 3.35Å; A357-H400 WeakPolarHBondContact CB-NE2 3.2Å; A357-M402 VanDerWaalsContact C-CE 3.48Å; A357-M402 HydrophobicContact CB-CB 4.21Å; A357-M402 HydrophobicContact CB-CE 3.97Å; A357-M402 HydrophobicContact CB-CG 3.81Å; A357-M402 WeakPolarHBondContact O-CE 3.32Å
358	V	96.6	Very high	90.7	Very high	21 Å²	21	34 Å²	34	13%	0.127	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.4	174.7	-173.2	0	0	0	0	109.6	V318 Y356 I365 L366 V367 G586 V588	V318-V358 HydrophobicContact CB-CG1 4.47Å; V318-V358 HydrophobicContact CB-CG2 4.33Å; V318-V358 HydrophobicContact CG2-CG1 4.06Å; Y356-V358 HydrophobicContact CD2-CG2 3.56Å; Y356-V358 HydrophobicContact CE2-CG2 3.47Å; Y356-V358 VanDerWaalsContact CE2-CG2 3.47Å; V358-I365 HydrophobicContact CG1-CG2 3.39Å; V358-L366 WeakPolarHBondContact CA-O 3.35Å; V358-L366 WeakPolarHBondContact CG1-O 3.45Å; V358-V367 HydrophobicContact CG1-CG2 4.32Å; V358-V367 HydrophobicContact CG2-CG2 3.91Å; V358-G586 VanDerWaalsContact CG2-CA 3.45Å; V358-V588 HydrophobicContact CG1-CG1 3.87Å; V358-V588 HydrophobicContact CG1-CG2 4.45Å
359	C	95.7	Very high	90.8	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.054	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.7	172.2	66.2	0	0	0	0	111	L366 M402 V404 V409	C359-L366 PolarHBondContact N-O 3.33Å; C359-L366 PolarHBondContact O-N 3.05Å; C359-M402 HydrophobicContact CB-CB 3.74Å; C359-M402 HydrophobicContact CB-CE 4.42Å; C359-V404 HydrophobicContact CB-CG2 4.37Å; C359-V409 WeakPolarHBondContact SG-CG1 3.45Å
360	A	94.8	Very high	91	Very high	28 Å²	28	32 Å²	32	23%	0.231	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.5	170.7	0	0	0	0	0	109.7	D364 V404 V588 I590	A360-D364 CarbonylContact C-O 3.34Å; A360-D364 VanDerWaalsContact CA-O 3.31Å; A360-D364 WeakPolarHBondContact CA-O 3.3Å; A360-V404 WeakPolarHBondContact O-CG2 3.32Å; A360-V588 HydrophobicContact CB-CB 4.03Å; A360-V588 HydrophobicContact CB-CG1 4.41Å; A360-V588 HydrophobicContact CB-CG2 4.46Å; A360-I590 HydrophobicContact CB-CG2 4.26Å
361	L	92.6	Very high	91.3	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.063	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	107.8	169.7	174.7	65.7	0	0	0	107.1	N363 D364 L366 V404 V409	L361-N363 PolarHBondContact O-N 2.99Å; L361-D364 PolarHBondContact N-O 2.85Å; L361-D364 PolarHBondContact O-N 2.84Å; L361-L366 HydrophobicContact CB-CD1 3.81Å; L361-L366 HydrophobicContact CD2-CD1 4.27Å; L361-V404 HydrophobicContact CB-CG2 4.4Å; L361-V404 HydrophobicContact CD1-CG1 3.57Å; L361-V404 HydrophobicContact CD1-CG2 4.38Å; L361-V409 HydrophobicContact CB-CG2 4.08Å; L361-V409 HydrophobicContact CD1-CG2 4.02Å; L361-V409 HydrophobicContact CD2-CG2 3.96Å; L361-V409 HydrophobicContact CG-CG2 4.24Å
362	R	87.7	Confident	91.7	Very high	131 Å²	131	37.6 Å²	37.6	49%	0.494	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-109.5	-168.4	-56.6	171.5	172.9	171.4	-5	109.7	I293 N296	I293-R362 PolarHBondContact O-NH2 2.79Å; I293-R362 VanDerWaalsContact O-NH2 3.13Å; N296-R362 PolarHBondContact ND2-O 2.79Å
363	N	89.2	Confident	92	Very high	40 Å²	40	35.9 Å²	35.9	21%	0.214	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	3.6	179.6	-145.7	52.5	0	0	0	114.1	L361 S382 H591	L361-N363 PolarHBondContact O-N 2.99Å; N363-S382 PolarHBondContact ND2-OG 2.76Å; N363-S382 WeakPolarHBondContact O-CB 3.44Å; N363-S382 PolarHBondContact O-OG 3.09Å; N363-H591 PolarHBondContact ND2-O 3.03Å; N363-H591 WeakPolarHBondContact OD1-CA 3.43Å; N363-H591 WeakPolarHBondContact OD1-CB 3.29Å; N363-H591 PolarHBondContact OD1-N 3.05Å; N363-H591 PolarHBondContact OD1-O 2.62Å; N363-H591 VanDerWaalsContact OD1-O 3.1Å
364	D	93.1	Very high	92.5	Very high	48 Å²	48	34.4 Å²	34.4	26%	0.257	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	156.9	176.8	-67.6	-26.2	0	0	0	110.2	A360 L361 I379 Y380 N381 S382	A360-D364 CarbonylContact C-O 3.34Å; A360-D364 VanDerWaalsContact CA-O 3.31Å; A360-D364 WeakPolarHBondContact CA-O 3.3Å; L361-D364 PolarHBondContact N-O 2.85Å; L361-D364 PolarHBondContact O-N 2.84Å; D364-I379 HydrophobicContact CB-CG2 3.89Å; D364-Y380 WeakPolarHBondContact CA-O 3.39Å; D364-Y380 WeakPolarHBondContact CB-O 3.08Å; D364-N381 WeakPolarHBondContact OD1-CA 3.21Å; D364-S382 PolarHBondContact OD1-N 3.4Å
365	I	95.9	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.8	-178.4	-54.2	173.6	0	0	0	109.7	V316 V318 V358 I379 Y380 W387 V588 I590	V316-I365 HydrophobicContact CB-CD1 3.74Å; V316-I365 HydrophobicContact CG1-CD1 3.62Å; V316-I365 HydrophobicContact CG2-CD1 3.92Å; V318-I365 HydrophobicContact CG2-CG2 4.31Å; V358-I365 HydrophobicContact CG1-CG2 3.39Å; I365-I379 CarbonylContact O-C 3.6Å; I365-I379 WeakPolarHBondContact O-CA 3.24Å; I365-Y380 HydrophobicContact CB-CD1 4.4Å; I365-Y380 HydrophobicContact CD1-CD1 3.98Å; I365-Y380 HydrophobicContact CG1-CD1 4.23Å; I365-Y380 PolarHBondContact N-O 2.94Å; I365-Y380 PolarHBondContact O-N 3.07Å; I365-W387 HydrophobicContact CG2-CH2 4.33Å; I365-V588 HydrophobicContact CD1-CG2 3.7Å; I365-V588 HydrophobicContact CG1-CG2 3.85Å; I365-V588 HydrophobicContact CG2-CG2 3.96Å; I365-I590 HydrophobicContact CD1-CD1 4.28Å; I365-I590 HydrophobicContact CD1-CG2 4.11Å; I365-I590 HydrophobicContact CG1-CG2 3.85Å
366	L	96.5	Very high	93.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.9	173.8	-85.5	73.9	0	0	0	110.5	V358 C359 L361 V377 W378 I379 M402 V409 Y427	V358-L366 WeakPolarHBondContact CA-O 3.35Å; V358-L366 WeakPolarHBondContact CG1-O 3.45Å; C359-L366 PolarHBondContact N-O 3.33Å; C359-L366 PolarHBondContact O-N 3.05Å; L361-L366 HydrophobicContact CB-CD1 3.81Å; L361-L366 HydrophobicContact CD2-CD1 4.27Å; L366-V377 HydrophobicContact CD2-CG1 4.41Å; L366-W378 CarbonylContact C-O 3.56Å; L366-W378 WeakPolarHBondContact CA-O 3.36Å; L366-I379 HydrophobicContact CD1-CD1 4.01Å; L366-I379 HydrophobicContact CD1-CG1 3.83Å; L366-I379 HydrophobicContact CD1-CG2 4.48Å; L366-I379 HydrophobicContact CD2-CG1 4.44Å; L366-I379 HydrophobicContact CG-CD1 4.22Å; L366-I379 HydrophobicContact CG-CG1 3.75Å; L366-M402 HydrophobicContact CB-CE 4.05Å; L366-M402 WeakPolarHBondContact O-CE 3.44Å; L366-V409 HydrophobicContact CD2-CB 4.29Å; L366-V409 HydrophobicContact CD2-CG1 4.24Å; L366-V409 HydrophobicContact CD2-CG2 3.93Å; L366-Y427 HydrophobicContact CD2-CD1 4.08Å; L366-Y427 HydrophobicContact CD2-CE1 4.24Å
367	V	96.6	Very high	93.2	Very high	8 Å²	8	38.8 Å²	38.8	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.4	167.3	178.6	0	0	0	0	108.1	V318 L348 Y356 A357 V358 V377 W378 W387	V318-V367 HydrophobicContact CG1-CG2 3.97Å; L348-V367 HydrophobicContact CD1-CB 4.24Å; L348-V367 HydrophobicContact CD1-CG1 4.31Å; L348-V367 HydrophobicContact CD1-CG2 3.98Å; L348-V367 HydrophobicContact CD2-CG1 4.4Å; Y356-V367 HydrophobicContact CD2-CG1 3.65Å; Y356-V367 HydrophobicContact CE2-CG1 4.21Å; Y356-V367 HydrophobicContact CG-CG1 3.91Å; A357-V367 WeakPolarHBondContact O-CA 3.39Å; V358-V367 HydrophobicContact CG1-CG2 4.32Å; V358-V367 HydrophobicContact CG2-CG2 3.91Å; V367-V377 CarbonylContact O-C 3.57Å; V367-V377 VanDerWaalsContact O-CA 3.26Å; V367-V377 WeakPolarHBondContact O-CA 3.31Å; V367-W378 PolarHBondContact N-O 2.97Å; V367-W378 PolarHBondContact O-N 2.66Å; V367-W387 HydrophobicContact CB-CZ3 4.22Å; V367-W387 HydrophobicContact CG2-CH2 3.45Å; V367-W387 VanDerWaalsContact CG2-CH2 3.45Å; V367-W387 HydrophobicContact CG2-CZ3 3.52Å
368	S	96.2	Very high	93.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.9	-178.4	69.8	0	0	0	0	113.5	Y356 A357 H400 M402	Y356-S368 VanDerWaalsContact CB-O 3.32Å; Y356-S368 WeakPolarHBondContact CB-O 3.23Å; A357-S368 PolarHBondContact N-O 2.98Å; A357-S368 VanDerWaalsContact N-O 3.1Å; A357-S368 PolarHBondContact O-N 3.29Å; S368-H400 PolarHBondContact O-CE1 2.8Å; S368-H400 PolarHBondContact O-NE2 2.76Å; S368-H400 PolarHBondContact OG-NE2 3.06Å; S368-M402 WeakPolarHBondContact OG-CE 3.32Å; S368-M402 PolarHBondContact OG-SD 2.83Å
369	G	94.8	Very high	93.2	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	19%	0.19	C	C	.	.			trans	65.7	-141.2	171.5	0	0	0	0	0	113.6	S374 D376	G369-S374 WeakPolarHBondContact CA-O 3.48Å; G369-S374 PolarHBondContact O-OG 2.88Å; G369-D376 PolarHBondContact N-O 3.05Å
370	G	92.4	Very high	93.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.188	C	C	.	.			trans	117.2	169.4	-177.5	0	0	0	0	0	113.1	S354 N373 S374 R397 W398	S354-G370 CarbonylContact O-C 3.59Å; S354-G370 VanDerWaalsContact O-CA 3.32Å; S354-G370 WeakPolarHBondContact O-CA 3.44Å; G370-N373 PolarHBondContact O-N 3.17Å; G370-S374 PolarHBondContact O-N 2.81Å; G370-S374 VanDerWaalsContact O-N 3.15Å; G370-R397 PolarHBondContact N-O 2.81Å; G370-W398 VanDerWaalsContact C-CB 3.45Å
371	R	88.1	Confident	93.2	Very high	132 Å²	132	40.3 Å²	40.3	50%	0.498	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	149.4	-173.5	-164	173.9	-178.8	165.5	0.4	111.4	S354	S354-R371 PolarHBondContact O-N 3.06Å
372	I	86.8	Confident	93	Very high	152 Å²	152	40.6 Å²	40.6	78%	0.779	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	36.8	-172.7	-40.6	168.8	0	0	0	111.3	S374	I372-S374 PolarHBondContact O-N 3.46Å; I372-S374 VanDerWaalsContact O-N 3.12Å
373	N	84.2	Confident	93	Very high	70 Å²	70	42.3 Å²	42.3	37%	0.374	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	38	169.2	-159.3	32.9	0	0	0	113.4	G370 G396 R397 W398 D416	G370-N373 PolarHBondContact O-N 3.17Å; N373-G396 WeakPolarHBondContact O-CA 3.32Å; N373-G396 VanDerWaalsContact OD1-CA 3.24Å; N373-G396 WeakPolarHBondContact OD1-CA 3.4Å; N373-G396 PolarHBondContact OD1-O 3.22Å; N373-R397 PolarHBondContact OD1-N 2.9Å; N373-W398 HydrophobicContact CB-CZ3 4.1Å; N373-W398 VanDerWaalsContact N-CE3 3.26Å; N373-D416 PolarHBondContact OD1-O 2.82Å
374	S	92.4	Very high	93.1	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.063	22%	0.219	C	C	.	.			trans	-62.8	140.2	-178.3	174.6	0	0	0	0	110.4	K353 G369 G370 I372 D376 G396 R397	K353-S374 WeakPolarHBondContact CD-OG 3.16Å; K353-S374 WeakPolarHBondContact CE-OG 3.3Å; K353-S374 PolarHBondContact NZ-OG 2.92Å; K353-S374 VanDerWaalsContact NZ-OG 3.14Å; G369-S374 WeakPolarHBondContact CA-O 3.48Å; G369-S374 PolarHBondContact O-OG 2.88Å; G370-S374 PolarHBondContact O-N 2.81Å; G370-S374 VanDerWaalsContact O-N 3.15Å; I372-S374 PolarHBondContact O-N 3.46Å; I372-S374 VanDerWaalsContact O-N 3.12Å; S374-D376 PolarHBondContact OG-N 3.38Å; S374-D376 PolarHBondContact OG-OD2 2.62Å; S374-G396 VanDerWaalsContact O-CA 3.29Å; S374-G396 WeakPolarHBondContact O-CA 3.23Å; S374-R397 PolarHBondContact O-N 2.84Å
375	R	95.4	Very high	93.2	Very high	121 Å²	121	46.7 Å²	46.7	46%	0.457	22%	0.224	S	C	.	.			trans	-102.7	-6.6	174	-64.7	179.2	64.7	178.6	-1.3	112.6	S392 L393 N394	R375-S392 CarbonylContact O-C 3.52Å; R375-S392 VanDerWaalsContact O-CA 3.23Å; R375-S392 WeakPolarHBondContact O-CA 3.36Å; R375-S392 VanDerWaalsContact O-CB 3.26Å; R375-S392 WeakPolarHBondContact O-CB 3.3Å; R375-L393 VanDerWaalsContact CZ-O 3.23Å; R375-L393 PolarHBondContact NE-O 2.96Å; R375-L393 PolarHBondContact NH2-O 2.87Å; R375-L393 PolarHBondContact O-N 3.31Å; R375-N394 VanDerWaalsContact CZ-O 3.22Å; R375-N394 PolarHBondContact NE-O 3.01Å; R375-N394 PolarHBondContact NH2-O 3.02Å; R375-N394 VanDerWaalsContact NH2-O 3.1Å
376	D	95.5	Very high	93.2	Very high	25 Å²	25	50.2 Å²	50.2	13%	0.134	24%	0.242	C	C	.	.			trans	-71	144.7	-169.1	-58	-45.3	0	0	0	111.9	K353 G369 S374 R389	K353-D376 IonicContact NZ-OD2 2.88Å; K353-D376 PolarHBondContact NZ-OD2 3.35Å; G369-D376 PolarHBondContact N-O 3.05Å; S374-D376 PolarHBondContact OG-N 3.38Å; S374-D376 PolarHBondContact OG-OD2 2.62Å; D376-R389 IonicContact OD1-CZ 2.78Å; D376-R389 IonicContact OD1-NE 2.62Å; D376-R389 IonicContact OD1-NH2 3.04Å; D376-R389 PolarHBondContact OD1-NH2 2.91Å
377	V	96.5	Very high	93.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.3	175.9	-173.3	0	0	0	0	108.6	L366 V367 V390 A391 L393 W434	L366-V377 HydrophobicContact CD2-CG1 4.41Å; V367-V377 CarbonylContact O-C 3.57Å; V367-V377 VanDerWaalsContact O-CA 3.26Å; V367-V377 WeakPolarHBondContact O-CA 3.31Å; V377-V390 HydrophobicContact CB-CG2 3.76Å; V377-V390 HydrophobicContact CG1-CG2 3.51Å; V377-V390 PolarHBondContact O-N 2.91Å; V377-A391 WeakPolarHBondContact CG2-O 3.24Å; V377-L393 HydrophobicContact CG2-CD2 3.92Å; V377-L393 HydrophobicContact CG2-CG 3.85Å; V377-W434 HydrophobicContact CG1-CZ2 4.19Å; V377-W434 HydrophobicContact CG2-CZ2 4.03Å
378	W	96.4	Very high	93.1	Very high	39 Å²	39	54.8 Å²	54.8	15%	0.148	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.6	178.3	-65.9	88.3	0	0	0	109.8	P349 E350 L366 V367 W387 I388 R389	P349-W378 HydrophobicContact CB-CD2 4.09Å; P349-W378 HydrophobicContact CB-CE3 3.99Å; P349-W378 HydrophobicContact CB-CH2 3.56Å; P349-W378 HydrophobicContact CB-CZ2 3.67Å; P349-W378 HydrophobicContact CB-CZ3 3.73Å; P349-W378 HydrophobicContact CG-CD2 4.17Å; P349-W378 HydrophobicContact CG-CE3 3.71Å; P349-W378 HydrophobicContact CG-CH2 4.01Å; P349-W378 HydrophobicContact CG-CZ2 4.44Å; P349-W378 HydrophobicContact CG-CZ3 3.63Å; E350-W378 HydrophobicContact CG-CZ2 4.25Å; L366-W378 CarbonylContact C-O 3.56Å; L366-W378 WeakPolarHBondContact CA-O 3.36Å; V367-W378 PolarHBondContact N-O 2.97Å; V367-W378 PolarHBondContact O-N 2.66Å; W378-W387 HydrophobicContact CB-CE3 3.75Å; W378-W387 HydrophobicContact CB-CZ3 4.2Å; W378-W387 HydrophobicContact CE3-CB 4.15Å; W378-I388 CarbonylContact C-O 3.57Å; W378-I388 WeakPolarHBondContact CA-O 3.42Å; W378-R389 HydrophobicContact CD2-CB 4.19Å; W378-R389 HydrophobicContact CE3-CB 3.91Å; W378-R389 HydrophobicContact CH2-CB 3.94Å; W378-R389 HydrophobicContact CZ2-CB 4.21Å; W378-R389 HydrophobicContact CZ2-CG 4.35Å; W378-R389 HydrophobicContact CZ3-CB 3.78Å
379	I	96.3	Very high	93.1	Very high	22 Å²	22	60.9 Å²	60.9	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.5	170.5	-64.4	-172.2	0	0	0	108.4	D364 I365 L366 W387 I388 V390 Y427	D364-I379 HydrophobicContact CB-CG2 3.89Å; I365-I379 CarbonylContact O-C 3.6Å; I365-I379 WeakPolarHBondContact O-CA 3.24Å; L366-I379 HydrophobicContact CD1-CD1 4.01Å; L366-I379 HydrophobicContact CD1-CG1 3.83Å; L366-I379 HydrophobicContact CD1-CG2 4.48Å; L366-I379 HydrophobicContact CD2-CG1 4.44Å; L366-I379 HydrophobicContact CG-CD1 4.22Å; L366-I379 HydrophobicContact CG-CG1 3.75Å; I379-W387 CarbonylContact O-C 3.53Å; I379-W387 WeakPolarHBondContact O-CA 3.39Å; I379-I388 PolarHBondContact N-O 3.48Å; I379-I388 PolarHBondContact O-N 3.4Å; I379-V390 HydrophobicContact CB-CG1 4.23Å; I379-V390 HydrophobicContact CD1-CB 4.34Å; I379-V390 HydrophobicContact CD1-CG1 3.56Å; I379-V390 HydrophobicContact CD1-CG2 4.08Å; I379-V390 HydrophobicContact CG1-CB 4.43Å; I379-V390 HydrophobicContact CG1-CG1 3.69Å; I379-V390 HydrophobicContact CG1-CG2 3.89Å; I379-Y427 HydrophobicContact CD1-CE1 4.32Å
380	Y	96.5	Very high	93.2	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.9	165.6	175.8	-106.4	0	0	0	109.2	L345 A346 D364 I365 N385 I386 W387	L345-Y380 HydrophobicContact CB-CE2 4.46Å; L345-Y380 HydrophobicContact CD1-CE1 4.03Å; L345-Y380 WeakPolarHBondContact CD2-OH 3.42Å; A346-Y380 HydrophobicContact CB-CE2 4Å; D364-Y380 WeakPolarHBondContact CA-O 3.39Å; D364-Y380 WeakPolarHBondContact CB-O 3.08Å; I365-Y380 HydrophobicContact CB-CD1 4.4Å; I365-Y380 HydrophobicContact CD1-CD1 3.98Å; I365-Y380 HydrophobicContact CG1-CD1 4.23Å; I365-Y380 PolarHBondContact N-O 2.94Å; I365-Y380 PolarHBondContact O-N 3.07Å; Y380-N385 WeakPolarHBondContact CE2-OD1 3.09Å; Y380-N385 PolarHBondContact OH-OD1 3.39Å; Y380-I386 CarbonylContact C-O 3.57Å; Y380-I386 WeakPolarHBondContact CA-O 3.4Å; Y380-W387 AromaticContact CD2-CD1 3.89Å; Y380-W387 HydrophobicContact CD2-CD2 4.06Å; Y380-W387 AromaticContact CD2-CE2 3.75Å; Y380-W387 HydrophobicContact CD2-CG 4.17Å; Y380-W387 HydrophobicContact CD2-CZ2 4.24Å; Y380-W387 AromaticContact CD2-NE1 3.62Å; Y380-W387 HydrophobicContact CG-CD2 4.3Å; Y380-W387 HydrophobicContact CG-CH2 4.45Å; Y380-W387 HydrophobicContact CG-CZ2 4.12Å
381	N	93.9	Very high	93.4	Very high	28 Å²	28	62.8 Å²	62.8	15%	0.15	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.4	170.8	-176.7	-76.3	0	0	0	109	D364 Q383 L384 N385 I386	D364-N381 WeakPolarHBondContact OD1-CA 3.21Å; N381-Q383 VanDerWaalsContact C-N 3.34Å; N381-Q383 PolarHBondContact O-N 3.16Å; N381-Q383 PolarHBondContact OD1-N 2.88Å; N381-L384 HydrophobicContact CB-CB 4.41Å; N381-L384 WeakPolarHBondContact OD1-CB 3.21Å; N381-L384 WeakPolarHBondContact OD1-CG 3.49Å; N381-L384 PolarHBondContact OD1-N 3.17Å; N381-N385 WeakPolarHBondContact O-CA 3.32Å; N381-N385 PolarHBondContact O-N 2.81Å; N381-I386 HydrophobicContact CB-CG1 4.39Å; N381-I386 PolarHBondContact N-O 3.14Å; N381-I386 PolarHBondContact O-N 2.96Å
382	S	89.3	Confident	93.9	Very high	18 Å²	18	58.6 Å²	58.6	13%	0.126	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.6	-173.8	54.9	0	0	0	0	114	N363 D364	N363-S382 PolarHBondContact ND2-OG 2.76Å; N363-S382 WeakPolarHBondContact O-CB 3.44Å; N363-S382 PolarHBondContact O-OG 3.09Å; D364-S382 PolarHBondContact OD1-N 3.4Å
383	Q	87.3	Confident	94.4	Very high	166 Å²	166	51.3 Å²	51.3	78%	0.776	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-43	179.2	-64.6	-180	-26.6	0	0	111.6	N381	N381-Q383 VanDerWaalsContact C-N 3.34Å; N381-Q383 PolarHBondContact O-N 3.16Å; N381-Q383 PolarHBondContact OD1-N 2.88Å
384	L	92.1	Very high	94.9	Very high	115 Å²	115	51.4 Å²	51.4	60%	0.602	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.8	-178.6	-62.1	178	0	0	0	112.8	N381 I386	N381-L384 HydrophobicContact CB-CB 4.41Å; N381-L384 WeakPolarHBondContact OD1-CB 3.21Å; N381-L384 WeakPolarHBondContact OD1-CG 3.49Å; N381-L384 PolarHBondContact OD1-N 3.17Å; L384-I386 HydrophobicContact CB-CD1 4Å; L384-I386 HydrophobicContact CB-CG1 3.79Å; L384-I386 HydrophobicContact CD1-CD1 3.99Å; L384-I386 PolarHBondContact O-N 3.36Å
385	N	93.6	Very high	95	Very high	65 Å²	65	54.6 Å²	54.6	35%	0.348	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	51	-175	-176	31	0	0	0	111.8	A346 Y380 N381	A346-N385 VanDerWaalsContact CB-O 3.27Å; A346-N385 WeakPolarHBondContact CB-O 3.31Å; A346-N385 WeakPolarHBondContact CB-OD1 3.06Å; A346-N385 PolarHBondContact N-OD1 2.81Å; Y380-N385 WeakPolarHBondContact CE2-OD1 3.09Å; Y380-N385 PolarHBondContact OH-OD1 3.39Å; N381-N385 WeakPolarHBondContact O-CA 3.32Å; N381-N385 PolarHBondContact O-N 2.81Å
386	I	95.9	Very high	95	Very high	75 Å²	75	49 Å²	49	39%	0.385	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.7	178.8	61.6	176.6	0	0	0	111.4	Y380 N381 L384 I388	Y380-I386 CarbonylContact C-O 3.57Å; Y380-I386 WeakPolarHBondContact CA-O 3.4Å; N381-I386 HydrophobicContact CB-CG1 4.39Å; N381-I386 PolarHBondContact N-O 3.14Å; N381-I386 PolarHBondContact O-N 2.96Å; L384-I386 HydrophobicContact CB-CD1 4Å; L384-I386 HydrophobicContact CB-CG1 3.79Å; L384-I386 HydrophobicContact CD1-CD1 3.99Å; L384-I386 PolarHBondContact O-N 3.36Å; I386-I388 HydrophobicContact CD1-CD1 4.06Å; I386-I388 HydrophobicContact CD1-CG1 4.16Å; I386-I388 HydrophobicContact CG1-CD1 4.36Å; I386-I388 HydrophobicContact CG1-CG1 4.26Å
387	W	96.8	Very high	95.1	Very high	25 Å²	25	47.8 Å²	47.8	10%	0.095	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.5	171.1	-70.3	93.7	0	0	0	110.6	V318 T332 A346 K347 L348 P349 I365 V367 W378 I379 Y380	V318-W387 HydrophobicContact CG1-CH2 4.05Å; V318-W387 HydrophobicContact CG1-CZ2 4.09Å; T332-W387 HydrophobicContact CG2-CZ2 4.19Å; A346-W387 PolarHBondContact O-NE1 3.23Å; K347-W387 PolarHBondContact O-NE1 3.11Å; L348-W387 HydrophobicContact CD1-CD2 4.07Å; L348-W387 HydrophobicContact CD1-CE3 3.99Å; L348-W387 HydrophobicContact CD1-CH2 3.88Å; L348-W387 HydrophobicContact CD1-CZ2 3.94Å; L348-W387 HydrophobicContact CD1-CZ3 3.9Å; P349-W387 VanDerWaalsContact CD-CB 3.45Å; P349-W387 VanDerWaalsContact CD-CG 3.4Å; P349-W387 HydrophobicContact CG-CB 3.52Å; P349-W387 HydrophobicContact CG-CG 4.05Å; I365-W387 HydrophobicContact CG2-CH2 4.33Å; V367-W387 HydrophobicContact CB-CZ3 4.22Å; V367-W387 HydrophobicContact CG2-CH2 3.45Å; V367-W387 VanDerWaalsContact CG2-CH2 3.45Å; V367-W387 HydrophobicContact CG2-CZ3 3.52Å; W378-W387 HydrophobicContact CB-CE3 3.75Å; W378-W387 HydrophobicContact CB-CZ3 4.2Å; W378-W387 HydrophobicContact CE3-CB 4.15Å; I379-W387 CarbonylContact O-C 3.53Å; I379-W387 WeakPolarHBondContact O-CA 3.39Å; Y380-W387 AromaticContact CD2-CD1 3.89Å; Y380-W387 HydrophobicContact CD2-CD2 4.06Å; Y380-W387 AromaticContact CD2-CE2 3.75Å; Y380-W387 HydrophobicContact CD2-CG 4.17Å; Y380-W387 HydrophobicContact CD2-CZ2 4.24Å; Y380-W387 AromaticContact CD2-NE1 3.62Å; Y380-W387 HydrophobicContact CG-CD2 4.3Å; Y380-W387 HydrophobicContact CG-CH2 4.45Å; Y380-W387 HydrophobicContact CG-CZ2 4.12Å
388	I	95.7	Very high	95	Very high	78 Å²	78	49.3 Å²	49.3	40%	0.4	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.9	-178.8	-56.7	170.5	0	0	0	108.2	W378 I379 I386	W378-I388 CarbonylContact C-O 3.57Å; W378-I388 WeakPolarHBondContact CA-O 3.42Å; I379-I388 PolarHBondContact N-O 3.48Å; I379-I388 PolarHBondContact O-N 3.4Å; I386-I388 HydrophobicContact CD1-CD1 4.06Å; I386-I388 HydrophobicContact CD1-CG1 4.16Å; I386-I388 HydrophobicContact CG1-CD1 4.36Å; I386-I388 HydrophobicContact CG1-CG1 4.26Å
389	R	95.6	Very high	95	Very high	129 Å²	129	51.4 Å²	51.4	49%	0.487	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.5	174.9	-168.6	173.5	177.4	-177.6	-2.7	109.9	D376 W378	D376-R389 IonicContact OD1-CZ 2.78Å; D376-R389 IonicContact OD1-NE 2.62Å; D376-R389 IonicContact OD1-NH2 3.04Å; D376-R389 PolarHBondContact OD1-NH2 2.91Å; W378-R389 HydrophobicContact CD2-CB 4.19Å; W378-R389 HydrophobicContact CE3-CB 3.91Å; W378-R389 HydrophobicContact CH2-CB 3.94Å; W378-R389 HydrophobicContact CZ2-CB 4.21Å; W378-R389 HydrophobicContact CZ2-CG 4.35Å; W378-R389 HydrophobicContact CZ3-CB 3.78Å
390	V	96.5	Very high	95	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.127	25%	0.248	C	C	.	.			trans	-119.1	-172.6	179.1	-61.5	0	0	0	0	111.5	V377 I379 S392	V377-V390 HydrophobicContact CB-CG2 3.76Å; V377-V390 HydrophobicContact CG1-CG2 3.51Å; V377-V390 PolarHBondContact O-N 2.91Å; I379-V390 HydrophobicContact CB-CG1 4.23Å; I379-V390 HydrophobicContact CD1-CB 4.34Å; I379-V390 HydrophobicContact CD1-CG1 3.56Å; I379-V390 HydrophobicContact CD1-CG2 4.08Å; I379-V390 HydrophobicContact CG1-CB 4.43Å; I379-V390 HydrophobicContact CG1-CG1 3.69Å; I379-V390 HydrophobicContact CG1-CG2 3.89Å; V390-S392 PolarHBondContact O-N 3.23Å
391	A	97.4	Very high	95.1	Very high	26 Å²	26	53.7 Å²	53.7	22%	0.215	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-53.1	131.7	178.9	0	0	0	0	0	111.2	V377 Y427 N432 W434	V377-A391 WeakPolarHBondContact CG2-O 3.24Å; A391-Y427 HydrophobicContact CB-CE2 4.35Å; A391-N432 WeakPolarHBondContact CB-O 3.45Å; A391-N432 VanDerWaalsContact CB-OD1 3.23Å; A391-N432 WeakPolarHBondContact CB-OD1 3.4Å; A391-N432 PolarHBondContact N-OD1 2.8Å; A391-W434 PolarHBondContact O-NE1 2.95Å
392	S	97.1	Very high	95.2	Very high	43 Å²	43	52.9 Å²	52.9	30%	0.301	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-75.2	151.6	-179.9	-57.8	0	0	0	0	110.9	R375 V390 W434	R375-S392 CarbonylContact O-C 3.52Å; R375-S392 VanDerWaalsContact O-CA 3.23Å; R375-S392 WeakPolarHBondContact O-CA 3.36Å; R375-S392 VanDerWaalsContact O-CB 3.26Å; R375-S392 WeakPolarHBondContact O-CB 3.3Å; V390-S392 PolarHBondContact O-N 3.23Å; S392-W434 VanDerWaalsContact O-CD1 3.27Å
393	L	97.4	Very high	95.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-54.9	147.3	172.7	-57.8	176.4	0	0	0	110.3	R375 V377 K395 R397 V411 W434	R375-L393 VanDerWaalsContact CZ-O 3.23Å; R375-L393 PolarHBondContact NE-O 2.96Å; R375-L393 PolarHBondContact NH2-O 2.87Å; R375-L393 PolarHBondContact O-N 3.31Å; V377-L393 HydrophobicContact CG2-CD2 3.92Å; V377-L393 HydrophobicContact CG2-CG 3.85Å; L393-K395 VanDerWaalsContact C-N 3.33Å; L393-K395 WeakPolarHBondContact CB-O 3.36Å; L393-R397 HydrophobicContact CD1-CG 3.88Å; L393-V411 HydrophobicContact CD2-CB 4.34Å; L393-V411 HydrophobicContact CD2-CG1 4.27Å; L393-V411 HydrophobicContact CD2-CG2 3.83Å; L393-W434 HydrophobicContact CD2-CD2 3.85Å; L393-W434 HydrophobicContact CD2-CE3 4.05Å; L393-W434 HydrophobicContact CD2-CH2 3.9Å; L393-W434 HydrophobicContact CD2-CZ2 3.66Å; L393-W434 HydrophobicContact CD2-CZ3 4.08Å
394	N	96.2	Very high	96	Very high	72 Å²	72	45.1 Å²	45.1	39%	0.385	22%	0.222	S	C	.	.	S	Bend	trans	-64.7	-42.5	172.6	-65.7	-52.9	0	0	0	110.4	R375 E425 W434	R375-N394 VanDerWaalsContact CZ-O 3.22Å; R375-N394 PolarHBondContact NE-O 3.01Å; R375-N394 PolarHBondContact NH2-O 3.02Å; R375-N394 VanDerWaalsContact NH2-O 3.1Å; N394-E425 VanDerWaalsContact CB-OE2 3.25Å; N394-E425 WeakPolarHBondContact CB-OE2 3.31Å; N394-E425 PolarHBondContact N-OE1 3Å; N394-E425 PolarHBondContact N-OE2 2.77Å; N394-E425 PolarHBondContact ND2-OE2 3.38Å; N394-W434 PolarHBondContact ND2-O 2.63Å
395	K	93.9	Very high	96.2	Very high	76 Å²	76	39.8 Å²	39.8	33%	0.33	19%	0.194	S	C	.	.	S	Bend	trans	-119.2	125.1	175.5	-167	170.7	-176.5	-179.6	0	111.3	L393 R397 D416 L421 E425	L393-K395 VanDerWaalsContact C-N 3.33Å; L393-K395 WeakPolarHBondContact CB-O 3.36Å; K395-R397 PolarHBondContact O-NE 3.29Å; K395-R397 VanDerWaalsContact O-NE 3.12Å; K395-D416 WeakPolarHBondContact CE-OD2 3.31Å; K395-D416 IonicContact NZ-OD2 2.69Å; K395-D416 PolarHBondContact NZ-OD2 3.47Å; K395-L421 HydrophobicContact CD-CD1 4.33Å; K395-L421 HydrophobicContact CD-CD2 3.96Å; K395-E425 PolarHBondContact N-OE1 2.95Å
396	G	95.3	Very high	96.1	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	20%	0.198	C	C	.	.			trans	-60.6	150	172.7	0	0	0	0	0	110.7	N373 S374	N373-G396 WeakPolarHBondContact O-CA 3.32Å; N373-G396 VanDerWaalsContact OD1-CA 3.24Å; N373-G396 WeakPolarHBondContact OD1-CA 3.4Å; N373-G396 PolarHBondContact OD1-O 3.22Å; S374-G396 VanDerWaalsContact O-CA 3.29Å; S374-G396 WeakPolarHBondContact O-CA 3.23Å
397	R	96.7	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.			trans	-169	157.4	-176.5	54	-173.4	83.8	-157.9	7.4	112.9	G370 N373 S374 L393 K395 H400 V411 G413 Y415 L421 S423 E425	G370-R397 PolarHBondContact N-O 2.81Å; N373-R397 PolarHBondContact OD1-N 2.9Å; S374-R397 PolarHBondContact O-N 2.84Å; L393-R397 HydrophobicContact CD1-CG 3.88Å; K395-R397 PolarHBondContact O-NE 3.29Å; K395-R397 VanDerWaalsContact O-NE 3.12Å; R397-H400 HydrophobicContact CG-CB 4.15Å; R397-V411 VanDerWaalsContact CD-CG1 3.44Å; R397-G413 PolarHBondContact NH1-O 2.87Å; R397-Y415 WeakPolarHBondContact CA-O 3.33Å; R397-L421 HydrophobicContact CB-CD1 3.76Å; R397-S423 PolarHBondContact NH1-O 3.02Å; R397-S423 PolarHBondContact NH1-OG 3.35Å; R397-S423 PolarHBondContact NH2-OG 2.77Å; R397-S423 VanDerWaalsContact NH2-OG 3.13Å; R397-E425 IonicContact CZ-OE1 2.72Å; R397-E425 IonicContact NE-OE1 3.26Å; R397-E425 IonicContact NH2-OE1 3.43Å; R397-E425 PolarHBondContact NH2-OE1 3.17Å
398	W	95.2	Very high	95.8	Very high	33 Å²	33	41 Å²	41	13%	0.125	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-136.2	168.7	165.6	67.5	83	0	0	0	111.1	E355 G370 N373 H400 G414 Y415	E355-W398 HydrophobicContact CB-CB 4.23Å; E355-W398 PolarHBondContact OE2-NE1 3.06Å; G370-W398 VanDerWaalsContact C-CB 3.45Å; N373-W398 HydrophobicContact CB-CZ3 4.1Å; N373-W398 VanDerWaalsContact N-CE3 3.26Å; W398-H400 PolarHBondContact O-N 3.11Å; W398-H400 VanDerWaalsContact O-N 3.07Å; W398-G414 CarbonylContact O-C 3.27Å; W398-G414 VanDerWaalsContact O-CA 3.28Å; W398-G414 WeakPolarHBondContact O-CA 3.09Å; W398-Y415 HydrophobicContact CD2-CD1 4.44Å; W398-Y415 AromaticContact CE2-CD1 3.47Å; W398-Y415 VanDerWaalsContact CE2-CD1 3.47Å; W398-Y415 HydrophobicContact CH2-CD1 4.15Å; W398-Y415 HydrophobicContact CH2-CE1 4.3Å; W398-Y415 AromaticContact CZ2-CD1 3.32Å; W398-Y415 HydrophobicContact CZ2-CD1 3.32Å; W398-Y415 AromaticContact CZ2-CE1 3.62Å; W398-Y415 HydrophobicContact CZ2-CE1 3.62Å; W398-Y415 HydrophobicContact CZ2-CG 4.47Å; W398-Y415 PolarHBondContact N-O 2.88Å; W398-Y415 AromaticContact NE1-CD1 3.56Å; W398-Y415 PolarHBondContact O-N 3.23Å
399	R	95.6	Very high	95.9	Very high	82 Å²	82	37.2 Å²	37.2	31%	0.309	18%	0.182	S	C	.	.	S	Bend	trans	55.3	20.6	-171.8	-69.8	162.4	-169.3	-162.4	-4.2	113.2	E355 S446	E355-R399 HydrophobicContact CB-CG 4.19Å; E355-R399 HydrophobicContact CG-CG 4.42Å; E355-R399 PolarHBondContact O-N 2.79Å; E355-R399 IonicContact OE1-CZ 3.84Å; E355-R399 IonicContact OE1-NE 2.78Å; E355-R399 PolarHBondContact OE1-NE 3.08Å; E355-R399 IonicContact OE1-NH2 2.65Å; E355-R399 PolarHBondContact OE1-NH2 2.88Å; E355-R399 WeakPolarHBondContact OE2-CG 3.46Å; E355-R399 IonicContact OE2-CZ 3.16Å; E355-R399 IonicContact OE2-NE 3.53Å; E355-R399 PolarHBondContact OE2-NE 2.75Å; E355-R399 IonicContact OE2-NH2 3.63Å; R399-S446 WeakPolarHBondContact CB-OG 3.23Å; R399-S446 WeakPolarHBondContact CG-OG 3.26Å; R399-S446 WeakPolarHBondContact O-CA 3.47Å; R399-S446 PolarHBondContact O-N 2.83Å
400	H	97.3	Very high	96	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.014	16%	0.161	C	C	.	.			trans	-82.2	173.5	167.8	62	-69.1	0	0	0	109.6	A357 S368 R397 W398 V412 G413	A357-H400 VanDerWaalsContact CB-CD2 3.47Å; A357-H400 WeakPolarHBondContact CB-CD2 3.35Å; A357-H400 WeakPolarHBondContact CB-NE2 3.2Å; S368-H400 PolarHBondContact O-CE1 2.8Å; S368-H400 PolarHBondContact O-NE2 2.76Å; S368-H400 PolarHBondContact OG-NE2 3.06Å; R397-H400 HydrophobicContact CG-CB 4.15Å; W398-H400 PolarHBondContact O-N 3.11Å; W398-H400 VanDerWaalsContact O-N 3.07Å; H400-V412 WeakPolarHBondContact CA-O 3.39Å; H400-V412 WeakPolarHBondContact CB-O 3.33Å; H400-G413 WeakPolarHBondContact CB-O 3.19Å
401	K	97.5	Very high	96.1	Very high	71 Å²	71	30.7 Å²	30.7	31%	0.309	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.4	169.7	-72	-64.9	-173.5	171.6	0	110.7	V412 P447 V449	K401-V412 PolarHBondContact N-O 3.02Å; K401-V412 PolarHBondContact O-N 2.85Å; K401-P447 WeakPolarHBondContact CE-O 3.47Å; K401-P447 HydrophobicContact CG-CG 4.38Å; K401-P447 WeakPolarHBondContact CG-O 3.44Å; K401-V449 HydrophobicContact CB-CB 3.69Å; K401-V449 HydrophobicContact CB-CG2 3.53Å; K401-V449 HydrophobicContact CG-CB 4.41Å; K401-V449 HydrophobicContact CG-CG2 4.13Å
402	M	97.6	Very high	96.1	Very high	11 Å²	11	29.4 Å²	29.4	5%	0.054	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.9	171.2	-73.7	-169.5	-61.4	0	0	110.1	A357 C359 L366 S368 V409 Y410 V411 W434	A357-M402 VanDerWaalsContact C-CE 3.48Å; A357-M402 HydrophobicContact CB-CB 4.21Å; A357-M402 HydrophobicContact CB-CE 3.97Å; A357-M402 HydrophobicContact CB-CG 3.81Å; A357-M402 WeakPolarHBondContact O-CE 3.32Å; C359-M402 HydrophobicContact CB-CB 3.74Å; C359-M402 HydrophobicContact CB-CE 4.42Å; L366-M402 HydrophobicContact CB-CE 4.05Å; L366-M402 WeakPolarHBondContact O-CE 3.44Å; S368-M402 WeakPolarHBondContact OG-CE 3.32Å; S368-M402 PolarHBondContact OG-SD 2.83Å; M402-V409 HydrophobicContact CB-CG1 4.24Å; M402-V409 HydrophobicContact CG-CG1 4.28Å; M402-V409 HydrophobicContact SD-CG1 3.87Å; M402-Y410 WeakPolarHBondContact CA-O 3.36Å; M402-V411 HydrophobicContact CG-CB 4.4Å; M402-V411 HydrophobicContact CG-CG2 3.39Å; M402-V411 HydrophobicContact SD-CG2 3.62Å; M402-W434 HydrophobicContact SD-CH2 4.44Å
403	A	97.1	Very high	96.1	Very high	9 Å²	9	27.4 Å²	27.4	7%	0.074	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.9	165	0	0	0	0	0	109.4	Y410 V449 L456	A403-Y410 PolarHBondContact N-O 3.37Å; A403-Y410 VanDerWaalsContact N-O 3.13Å; A403-Y410 PolarHBondContact O-N 2.83Å; A403-V449 HydrophobicContact CB-CG1 3.87Å; A403-L456 HydrophobicContact CB-CD1 3.62Å
404	V	96.2	Very high	96.1	Very high	12 Å²	12	27.4 Å²	27.4	7%	0.073	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133	178.1	-169.8	0	0	0	0	109.1	E297 C359 A360 L361 K408 V409 S451	E297-V404 HydrophobicContact CG-CB 4.32Å; E297-V404 HydrophobicContact CG-CG1 4.01Å; E297-V404 WeakPolarHBondContact OE1-CG1 3.37Å; C359-V404 HydrophobicContact CB-CG2 4.37Å; A360-V404 WeakPolarHBondContact O-CG2 3.32Å; L361-V404 HydrophobicContact CB-CG2 4.4Å; L361-V404 HydrophobicContact CD1-CG1 3.57Å; L361-V404 HydrophobicContact CD1-CG2 4.38Å; V404-K408 CarbonylContact C-O 3.4Å; V404-K408 VanDerWaalsContact CA-O 3.31Å; V404-K408 WeakPolarHBondContact CA-O 3.36Å; V404-K408 VanDerWaalsContact CG1-O 3.32Å; V404-K408 WeakPolarHBondContact CG1-O 3.33Å; V404-V409 HydrophobicContact CG2-CG2 4Å; V404-S451 WeakPolarHBondContact O-CB 3.46Å; V404-S451 PolarHBondContact O-OG 3.34Å
405	L	95	Very high	96.1	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.7	176	174.9	65.1	0	0	0	109.3	G407 K408 Y410 G454 L456 P477	L405-G407 VanDerWaalsContact C-N 3.31Å; L405-G407 PolarHBondContact O-N 2.83Å; L405-K408 PolarHBondContact N-O 3.13Å; L405-K408 PolarHBondContact O-N 2.74Å; L405-K408 VanDerWaalsContact O-N 3.17Å; L405-Y410 HydrophobicContact CB-CD2 3.96Å; L405-Y410 HydrophobicContact CB-CE2 3.77Å; L405-Y410 HydrophobicContact CD2-CE2 4.37Å; L405-Y410 HydrophobicContact CG-CE2 4.38Å; L405-G454 VanDerWaalsContact CD1-C 3.49Å; L405-L456 HydrophobicContact CD2-CB 4Å; L405-P477 HydrophobicContact CD2-CB 4.31Å; L405-P477 HydrophobicContact CD2-CG 3.89Å
406	L	92.3	Very high	96.1	Very high	83 Å²	83	23.6 Å²	23.6	44%	0.435	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	44.3	175.7	-56.8	176.6	0	0	0	112.6	L294 E297 K408 P477	L294-L406 HydrophobicContact CD1-CD2 4.5Å; E297-L406 PolarHBondContact OE2-N 2.68Å; L406-K408 VanDerWaalsContact C-N 3.26Å; L406-K408 PolarHBondContact O-N 2.8Å; L406-P477 HydrophobicContact CD1-CG 3.83Å
407	G	91.8	Very high	96	Very high	15 Å²	15	25 Å²	25	16%	0.155	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	3.3	177.9	0	0	0	0	0	114.9	E297 L405	E297-G407 VanDerWaalsContact OE1-CA 3.23Å; E297-G407 WeakPolarHBondContact OE1-CA 3.47Å; E297-G407 PolarHBondContact OE1-N 2.79Å; L405-G407 VanDerWaalsContact C-N 3.31Å; L405-G407 PolarHBondContact O-N 2.83Å
408	K	94.8	Very high	95.8	Very high	91 Å²	91	32.5 Å²	32.5	40%	0.396	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.5	-179.7	-61.6	-172.8	-177.4	-178.7	0	111.3	V404 L405 L406 Y410 C426 Y427	V404-K408 CarbonylContact C-O 3.4Å; V404-K408 VanDerWaalsContact CA-O 3.31Å; V404-K408 WeakPolarHBondContact CA-O 3.36Å; V404-K408 VanDerWaalsContact CG1-O 3.32Å; V404-K408 WeakPolarHBondContact CG1-O 3.33Å; L405-K408 PolarHBondContact N-O 3.13Å; L405-K408 PolarHBondContact O-N 2.74Å; L405-K408 VanDerWaalsContact O-N 3.17Å; L406-K408 VanDerWaalsContact C-N 3.26Å; L406-K408 PolarHBondContact O-N 2.8Å; K408-Y410 HydrophobicContact CB-CE2 4.02Å; K408-C426 VanDerWaalsContact CD-SG 3.55Å; K408-Y427 WeakPolarHBondContact CB-O 3.36Å
409	V	97.3	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.8	-179.8	-176.3	0	0	0	0	109.9	C359 L361 L366 M402 V404 C426 Y427 W434	C359-V409 WeakPolarHBondContact SG-CG1 3.45Å; L361-V409 HydrophobicContact CB-CG2 4.08Å; L361-V409 HydrophobicContact CD1-CG2 4.02Å; L361-V409 HydrophobicContact CD2-CG2 3.96Å; L361-V409 HydrophobicContact CG-CG2 4.24Å; L366-V409 HydrophobicContact CD2-CB 4.29Å; L366-V409 HydrophobicContact CD2-CG1 4.24Å; L366-V409 HydrophobicContact CD2-CG2 3.93Å; M402-V409 HydrophobicContact CB-CG1 4.24Å; M402-V409 HydrophobicContact CG-CG1 4.28Å; M402-V409 HydrophobicContact SD-CG1 3.87Å; V404-V409 HydrophobicContact CG2-CG2 4Å; V409-C426 CarbonylContact O-C 3.48Å; V409-C426 WeakPolarHBondContact O-CA 3.46Å; V409-Y427 HydrophobicContact CB-CD1 4.48Å; V409-Y427 HydrophobicContact CG2-CD1 4.43Å; V409-Y427 PolarHBondContact N-O 3.37Å; V409-Y427 VanDerWaalsContact N-O 3.16Å; V409-Y427 PolarHBondContact O-N 3.2Å; V409-W434 HydrophobicContact CG1-CH2 4.27Å
410	Y	98.2	Very high	95.8	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.3	177.8	-70	-101.1	0	0	0	109.8	M402 A403 L405 K408 V424 E425 C426 V437 L456 Y475	M402-Y410 WeakPolarHBondContact CA-O 3.36Å; A403-Y410 PolarHBondContact N-O 3.37Å; A403-Y410 VanDerWaalsContact N-O 3.13Å; A403-Y410 PolarHBondContact O-N 2.83Å; L405-Y410 HydrophobicContact CB-CD2 3.96Å; L405-Y410 HydrophobicContact CB-CE2 3.77Å; L405-Y410 HydrophobicContact CD2-CE2 4.37Å; L405-Y410 HydrophobicContact CG-CE2 4.38Å; K408-Y410 HydrophobicContact CB-CE2 4.02Å; Y410-V424 HydrophobicContact CD1-CG1 4.22Å; Y410-E425 CarbonylContact C-O 3.54Å; Y410-E425 WeakPolarHBondContact CA-O 3.2Å; Y410-C426 HydrophobicContact CD1-CB 4Å; Y410-C426 HydrophobicContact CE1-CB 3.77Å; Y410-C426 VanDerWaalsContact CZ-SG 3.51Å; Y410-V437 HydrophobicContact CD1-CG2 4.37Å; Y410-V437 HydrophobicContact CE1-CG1 4.45Å; Y410-V437 HydrophobicContact CE1-CG2 4.33Å; Y410-L456 HydrophobicContact CD1-CD2 4.21Å; Y410-L456 HydrophobicContact CG-CD2 4.03Å; Y410-Y475 HydrophobicContact CD1-CE1 4.38Å; Y410-Y475 HydrophobicContact CE1-CD1 4.34Å; Y410-Y475 AromaticContact CE1-CE1 3.61Å; Y410-Y475 HydrophobicContact CE1-CE1 3.61Å
411	V	98.3	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.6	171.1	163.1	0	0	0	0	108.6	L393 R397 M402 V424 E425 W434	L393-V411 HydrophobicContact CD2-CB 4.34Å; L393-V411 HydrophobicContact CD2-CG1 4.27Å; L393-V411 HydrophobicContact CD2-CG2 3.83Å; R397-V411 VanDerWaalsContact CD-CG1 3.44Å; M402-V411 HydrophobicContact CG-CB 4.4Å; M402-V411 HydrophobicContact CG-CG2 3.39Å; M402-V411 HydrophobicContact SD-CG2 3.62Å; V411-V424 WeakPolarHBondContact O-CA 3.47Å; V411-E425 PolarHBondContact N-O 2.93Å; V411-E425 PolarHBondContact O-N 3.35Å; V411-W434 HydrophobicContact CB-CH2 4.28Å; V411-W434 HydrophobicContact CB-CZ3 3.81Å; V411-W434 HydrophobicContact CG2-CE3 4.39Å; V411-W434 HydrophobicContact CG2-CH2 3.31Å; V411-W434 HydrophobicContact CG2-CZ2 4.32Å; V411-W434 HydrophobicContact CG2-CZ3 3.35Å
412	V	98.2	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.3	-167	-176.9	0	0	0	0	111.7	H400 K401 V424 L440 V449 L456 V458	H400-V412 WeakPolarHBondContact CA-O 3.39Å; H400-V412 WeakPolarHBondContact CB-O 3.33Å; K401-V412 PolarHBondContact N-O 3.02Å; K401-V412 PolarHBondContact O-N 2.85Å; V412-V424 HydrophobicContact CG1-CG2 4.24Å; V412-V424 HydrophobicContact CG2-CG1 4.01Å; V412-L440 HydrophobicContact CG1-CD1 3.81Å; V412-L440 HydrophobicContact CG1-CD2 3.91Å; V412-L440 HydrophobicContact CG1-CG 4.21Å; V412-V449 HydrophobicContact CB-CG2 4.23Å; V412-V449 HydrophobicContact CG1-CG2 4.33Å; V412-V449 HydrophobicContact CG2-CG1 4.12Å; V412-L456 HydrophobicContact CG2-CD2 3.81Å; V412-V458 HydrophobicContact CG1-CG1 4.33Å; V412-V458 HydrophobicContact CG1-CG2 3.61Å
413	G	97.2	Very high	95.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.			trans	61	-146.1	171.2	0	0	0	0	0	113.5	R397 H400 L421 S423	R397-G413 PolarHBondContact NH1-O 2.87Å; H400-G413 WeakPolarHBondContact CB-O 3.19Å; G413-L421 VanDerWaalsContact CA-O 3.32Å; G413-L421 WeakPolarHBondContact CA-O 3.27Å; G413-S423 PolarHBondContact N-O 3.04Å
414	G	97	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.			trans	104.1	-159.7	-179.2	0	0	0	0	0	113.4	W398 R420 L421 V444	W398-G414 CarbonylContact O-C 3.27Å; W398-G414 VanDerWaalsContact O-CA 3.28Å; W398-G414 WeakPolarHBondContact O-CA 3.09Å; G414-R420 WeakPolarHBondContact O-CA 3.48Å; G414-L421 PolarHBondContact O-N 3.18Å; G414-V444 PolarHBondContact N-O 2.98Å
415	Y	96	Very high	96	Very high	48 Å²	48	31.8 Å²	31.8	19%	0.188	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-136.9	132.5	-178.6	-173.8	-127.2	0	0	0	109.6	R397 W398 G417 Q418 N419	R397-Y415 WeakPolarHBondContact CA-O 3.33Å; W398-Y415 HydrophobicContact CD2-CD1 4.44Å; W398-Y415 AromaticContact CE2-CD1 3.47Å; W398-Y415 VanDerWaalsContact CE2-CD1 3.47Å; W398-Y415 HydrophobicContact CH2-CD1 4.15Å; W398-Y415 HydrophobicContact CH2-CE1 4.3Å; W398-Y415 AromaticContact CZ2-CD1 3.32Å; W398-Y415 HydrophobicContact CZ2-CD1 3.32Å; W398-Y415 AromaticContact CZ2-CE1 3.62Å; W398-Y415 HydrophobicContact CZ2-CE1 3.62Å; W398-Y415 HydrophobicContact CZ2-CG 4.47Å; W398-Y415 PolarHBondContact N-O 2.88Å; W398-Y415 AromaticContact NE1-CD1 3.56Å; W398-Y415 PolarHBondContact O-N 3.23Å; Y415-G417 VanDerWaalsContact CE1-CA 3.43Å; Y415-G417 VanDerWaalsContact OH-C 3.29Å; Y415-G417 PolarHBondContact OH-O 2.73Å; Y415-G417 VanDerWaalsContact OH-O 3.05Å; Y415-Q418 WeakPolarHBondContact CE2-O 3.35Å; Y415-N419 VanDerWaalsContact CD2-C 3.41Å; Y415-N419 WeakPolarHBondContact CD2-O 3.37Å
416	D	94.5	Very high	96.1	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.107	17%	0.17	C	C	.	.			trans	-96	4.1	179.7	63	9.2	0	0	0	113.4	N373 K395 Q418 N419 L421	N373-D416 PolarHBondContact OD1-O 2.82Å; K395-D416 WeakPolarHBondContact CE-OD2 3.31Å; K395-D416 IonicContact NZ-OD2 2.69Å; K395-D416 PolarHBondContact NZ-OD2 3.47Å; D416-Q418 WeakPolarHBondContact OD1-CA 3.25Å; D416-Q418 PolarHBondContact OD1-N 3.31Å; D416-N419 PolarHBondContact N-O 3.06Å; D416-N419 PolarHBondContact OD1-N 2.97Å; D416-L421 HydrophobicContact CB-CD1 4.28Å; D416-L421 HydrophobicContact CB-CD2 4.07Å; D416-L421 HydrophobicContact CB-CG 4.46Å; D416-L421 WeakPolarHBondContact OD2-CD2 3.32Å
417	G	91.6	Very high	96.4	Very high	32 Å²	32	28.1 Å²	28.1	33%	0.33	15%	0.151	S	C	.	.	S	Bend	trans	95.9	-9.5	-173.7	0	0	0	0	0	114.5	Y415	Y415-G417 VanDerWaalsContact CE1-CA 3.43Å; Y415-G417 VanDerWaalsContact OH-C 3.29Å; Y415-G417 PolarHBondContact OH-O 2.73Å; Y415-G417 VanDerWaalsContact OH-O 3.05Å
418	Q	92.7	Very high	96.5	Very high	157 Å²	157	29.6 Å²	29.6	73%	0.734	16%	0.155	S	C	*	.	S	Bend	trans	-124.8	-50.5	174.8	-64.2	-177.6	3.5	0	0	111.5	Y415 D416	Y415-Q418 WeakPolarHBondContact CE2-O 3.35Å; D416-Q418 WeakPolarHBondContact OD1-CA 3.25Å; D416-Q418 PolarHBondContact OD1-N 3.31Å
419	N	95.2	Very high	96.4	Very high	96 Å²	96	27.8 Å²	27.8	51%	0.513	15%	0.154	S	C	.	.	S	Bend	trans	-128.4	146.6	-171.8	-61.5	-67.3	0	0	0	112.1	Y415 D416	Y415-N419 VanDerWaalsContact CD2-C 3.41Å; Y415-N419 WeakPolarHBondContact CD2-O 3.37Å; D416-N419 PolarHBondContact N-O 3.06Å; D416-N419 PolarHBondContact OD1-N 2.97Å
420	R	96.5	Very high	96.1	Very high	35 Å²	35	37 Å²	37	13%	0.132	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-65.1	140.4	163.6	-59.5	-52.1	-168.8	-113.2	-4.8	108.9	G414 A443 S445 P463 D464 D465	G414-R420 WeakPolarHBondContact O-CA 3.48Å; R420-A443 HydrophobicContact CB-CB 4.09Å; R420-S445 WeakPolarHBondContact CD-OG 3.21Å; R420-S445 PolarHBondContact NE-OG 3.1Å; R420-P463 WeakPolarHBondContact CG-O 3.41Å; R420-D464 PolarHBondContact NH2-O 2.87Å; R420-D465 IonicContact CZ-OD1 3.58Å; R420-D465 IonicContact NH1-OD1 3.09Å; R420-D465 IonicContact NH2-OD1 3.28Å; R420-D465 PolarHBondContact NH2-OD1 2.83Å
421	L	97.3	Very high	96	Very high	6 Å²	6	39 Å²	39	3%	0.031	21%	0.21	C	C	.	.			trans	-98.3	133	-172.5	-60.2	-179.2	0	0	0	111.2	K395 R397 G413 G414 D416 A443 V444	K395-L421 HydrophobicContact CD-CD1 4.33Å; K395-L421 HydrophobicContact CD-CD2 3.96Å; R397-L421 HydrophobicContact CB-CD1 3.76Å; G413-L421 VanDerWaalsContact CA-O 3.32Å; G413-L421 WeakPolarHBondContact CA-O 3.27Å; G414-L421 PolarHBondContact O-N 3.18Å; D416-L421 HydrophobicContact CB-CD1 4.28Å; D416-L421 HydrophobicContact CB-CD2 4.07Å; D416-L421 HydrophobicContact CB-CG 4.46Å; D416-L421 WeakPolarHBondContact OD2-CD2 3.32Å; L421-A443 WeakPolarHBondContact O-CA 3.24Å; L421-V444 PolarHBondContact O-N 3.22Å
422	S	97.8	Very high	95.9	Very high	47 Å²	47	42.4 Å²	42.4	33%	0.329	23%	0.228	S	C	.	.			trans	-92.8	-12.7	161	55.4	0	0	0	0	112.1	P439 L440	S422-P439 CarbonylContact O-C 3.53Å; S422-P439 VanDerWaalsContact O-CA 3.27Å; S422-P439 WeakPolarHBondContact O-CA 3.36Å; S422-P439 WeakPolarHBondContact O-CB 3.25Å; S422-L440 PolarHBondContact O-N 2.64Å
423	S	97.8	Very high	95.9	Very high	21 Å²	21	50.7 Å²	50.7	15%	0.147	26%	0.259	C	S	.	.			trans	-63	135.2	-176.8	58.5	0	0	0	0	112.2	R397 G413	R397-S423 PolarHBondContact NH1-O 3.02Å; R397-S423 PolarHBondContact NH1-OG 3.35Å; R397-S423 PolarHBondContact NH2-OG 2.77Å; R397-S423 VanDerWaalsContact NH2-OG 3.13Å; G413-S423 PolarHBondContact N-O 3.04Å
424	V	98.4	Very high	95.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.2	175.6	-175.8	0	0	0	0	108.3	Y410 V411 V412 V437 L440 W482	Y410-V424 HydrophobicContact CD1-CG1 4.22Å; V411-V424 WeakPolarHBondContact O-CA 3.47Å; V412-V424 HydrophobicContact CG1-CG2 4.24Å; V412-V424 HydrophobicContact CG2-CG1 4.01Å; V424-V437 HydrophobicContact CB-CG2 3.64Å; V424-V437 HydrophobicContact CG1-CG2 3.45Å; V424-V437 VanDerWaalsContact CG1-CG2 3.45Å; V424-V437 PolarHBondContact O-N 3.32Å; V424-L440 HydrophobicContact CG2-CD2 4.21Å; V424-L440 HydrophobicContact CG2-CG 3.94Å; V424-W482 HydrophobicContact CG1-CZ2 4.46Å; V424-W482 HydrophobicContact CG2-CZ2 3.87Å
425	E	98.2	Very high	96	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.1	179.3	-58.4	-175.7	-137.1	0	0	109.6	N394 K395 R397 Y410 V411 W434 T435 E436	N394-E425 VanDerWaalsContact CB-OE2 3.25Å; N394-E425 WeakPolarHBondContact CB-OE2 3.31Å; N394-E425 PolarHBondContact N-OE1 3Å; N394-E425 PolarHBondContact N-OE2 2.77Å; N394-E425 PolarHBondContact ND2-OE2 3.38Å; K395-E425 PolarHBondContact N-OE1 2.95Å; R397-E425 IonicContact CZ-OE1 2.72Å; R397-E425 IonicContact NE-OE1 3.26Å; R397-E425 IonicContact NH2-OE1 3.43Å; R397-E425 PolarHBondContact NH2-OE1 3.17Å; Y410-E425 CarbonylContact C-O 3.54Å; Y410-E425 WeakPolarHBondContact CA-O 3.2Å; V411-E425 PolarHBondContact N-O 2.93Å; V411-E425 PolarHBondContact O-N 3.35Å; E425-W434 HydrophobicContact CB-CE3 3.71Å; E425-W434 HydrophobicContact CB-CZ3 4.37Å; E425-T435 CarbonylContact C-O 3.45Å; E425-T435 WeakPolarHBondContact CA-O 3.32Å; E425-E436 HydrophobicContact CG-CG 4.4Å
426	C	97.9	Very high	96	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.6	179	-177.3	0	0	0	0	109.5	K408 V409 Y410 W434 T435 V437	K408-C426 VanDerWaalsContact CD-SG 3.55Å; V409-C426 CarbonylContact O-C 3.48Å; V409-C426 WeakPolarHBondContact O-CA 3.46Å; Y410-C426 HydrophobicContact CD1-CB 4Å; Y410-C426 HydrophobicContact CE1-CB 3.77Å; Y410-C426 VanDerWaalsContact CZ-SG 3.51Å; C426-W434 CarbonylContact O-C 3.46Å; C426-W434 WeakPolarHBondContact O-CA 3.26Å; C426-T435 PolarHBondContact N-O 2.64Å; C426-T435 PolarHBondContact O-N 3.44Å; C426-T435 PolarHBondContact O-OG1 3.28Å; C426-V437 HydrophobicContact CB-CG1 3.79Å
427	Y	97.8	Very high	96.2	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.02	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.3	177.1	179.5	-111.6	0	0	0	110.9	L366 I379 A391 K408 V409 N432 R433 W434	L366-Y427 HydrophobicContact CD2-CD1 4.08Å; L366-Y427 HydrophobicContact CD2-CE1 4.24Å; I379-Y427 HydrophobicContact CD1-CE1 4.32Å; A391-Y427 HydrophobicContact CB-CE2 4.35Å; K408-Y427 WeakPolarHBondContact CB-O 3.36Å; V409-Y427 HydrophobicContact CB-CD1 4.48Å; V409-Y427 HydrophobicContact CG2-CD1 4.43Å; V409-Y427 PolarHBondContact N-O 3.37Å; V409-Y427 VanDerWaalsContact N-O 3.16Å; V409-Y427 PolarHBondContact O-N 3.2Å; Y427-N432 WeakPolarHBondContact CE2-OD1 3.36Å; Y427-N432 PolarHBondContact OH-OD1 3.43Å; Y427-R433 WeakPolarHBondContact CA-O 3.49Å; Y427-W434 VanDerWaalsContact CB-CZ3 3.48Å; Y427-W434 AromaticContact CD2-CD1 3.9Å; Y427-W434 AromaticContact CD2-CD2 3.99Å; Y427-W434 HydrophobicContact CD2-CD2 3.99Å; Y427-W434 AromaticContact CD2-CE2 3.6Å; Y427-W434 HydrophobicContact CD2-CG 4.15Å; Y427-W434 HydrophobicContact CD2-CZ2 4.03Å; Y427-W434 AromaticContact CD2-NE1 3.54Å; Y427-W434 HydrophobicContact CG-CD2 4.25Å; Y427-W434 AromaticContact CG-CE2 3.88Å; Y427-W434 HydrophobicContact CG-CH2 4.23Å; Y427-W434 AromaticContact CG-CZ2 3.88Å; Y427-W434 HydrophobicContact CG-CZ2 3.88Å
428	D	94.7	Very high	96.5	Very high	47 Å²	47	59.1 Å²	59.1	25%	0.251	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.5	166.8	171.4	23.8	0	0	0	109.6	F430 S431 N432 R433	D428-F430 VanDerWaalsContact C-N 3.27Å; D428-F430 PolarHBondContact O-N 2.8Å; D428-F430 WeakPolarHBondContact OD1-CB 3.22Å; D428-F430 PolarHBondContact OD1-N 2.72Å; D428-S431 WeakPolarHBondContact CB-OG 3.48Å; D428-S431 VanDerWaalsContact CG-OG 3.31Å; D428-S431 WeakPolarHBondContact OD2-CB 3.11Å; D428-S431 PolarHBondContact OD2-N 3.22Å; D428-S431 PolarHBondContact OD2-OG 2.75Å; D428-N432 VanDerWaalsContact O-CA 3.3Å; D428-N432 WeakPolarHBondContact O-CA 3.36Å; D428-N432 PolarHBondContact O-N 3.11Å; D428-R433 PolarHBondContact N-O 2.98Å; D428-R433 PolarHBondContact O-N 2.79Å
429	S	92.1	Very high	96.8	Very high	53 Å²	53	55.3 Å²	55.3	37%	0.371	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.1	-179.9	60.7	0	0	0	0	113.3
430	F	91.7	Very high	96.9	Very high	194 Å²	194	51.1 Å²	51.1	85%	0.851	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-48.1	179	-178.8	-96.9	0	0	0	111.5	D428	D428-F430 VanDerWaalsContact C-N 3.27Å; D428-F430 PolarHBondContact O-N 2.8Å; D428-F430 WeakPolarHBondContact OD1-CB 3.22Å; D428-F430 PolarHBondContact OD1-N 2.72Å
431	S	95.2	Very high	97	Very high	52 Å²	52	55.5 Å²	55.5	36%	0.364	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10	177.3	61.5	0	0	0	0	114	D428 R433	D428-S431 WeakPolarHBondContact CB-OG 3.48Å; D428-S431 VanDerWaalsContact CG-OG 3.31Å; D428-S431 WeakPolarHBondContact OD2-CB 3.11Å; D428-S431 PolarHBondContact OD2-N 3.22Å; D428-S431 PolarHBondContact OD2-OG 2.75Å; S431-R433 WeakPolarHBondContact O-CG 3.44Å
432	N	96.3	Very high	97	Very high	72 Å²	72	57 Å²	57	39%	0.385	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	54.2	-173.7	-176.1	24.8	0	0	0	111.3	A391 Y427 D428	A391-N432 WeakPolarHBondContact CB-O 3.45Å; A391-N432 VanDerWaalsContact CB-OD1 3.23Å; A391-N432 WeakPolarHBondContact CB-OD1 3.4Å; A391-N432 PolarHBondContact N-OD1 2.8Å; Y427-N432 WeakPolarHBondContact CE2-OD1 3.36Å; Y427-N432 PolarHBondContact OH-OD1 3.43Å; D428-N432 VanDerWaalsContact O-CA 3.3Å; D428-N432 WeakPolarHBondContact O-CA 3.36Å; D428-N432 PolarHBondContact O-N 3.11Å
433	R	97.6	Very high	97	Very high	175 Å²	175	56.1 Å²	56.1	66%	0.66	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.4	-176.7	-73.2	177.7	-174.4	-140.6	0.4	111.9	Y427 D428 S431	Y427-R433 WeakPolarHBondContact CA-O 3.49Å; D428-R433 PolarHBondContact N-O 2.98Å; D428-R433 PolarHBondContact O-N 2.79Å; S431-R433 WeakPolarHBondContact O-CG 3.44Å
434	W	98	Very high	97	Very high	15 Å²	15	55.1 Å²	55.1	6%	0.057	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.9	169.1	-67.4	92.5	0	0	0	110.1	V377 A391 S392 L393 N394 M402 V409 V411 E425 C426 Y427	V377-W434 HydrophobicContact CG1-CZ2 4.19Å; V377-W434 HydrophobicContact CG2-CZ2 4.03Å; A391-W434 PolarHBondContact O-NE1 2.95Å; S392-W434 VanDerWaalsContact O-CD1 3.27Å; L393-W434 HydrophobicContact CD2-CD2 3.85Å; L393-W434 HydrophobicContact CD2-CE3 4.05Å; L393-W434 HydrophobicContact CD2-CH2 3.9Å; L393-W434 HydrophobicContact CD2-CZ2 3.66Å; L393-W434 HydrophobicContact CD2-CZ3 4.08Å; N394-W434 PolarHBondContact ND2-O 2.63Å; M402-W434 HydrophobicContact SD-CH2 4.44Å; V409-W434 HydrophobicContact CG1-CH2 4.27Å; V411-W434 HydrophobicContact CB-CH2 4.28Å; V411-W434 HydrophobicContact CB-CZ3 3.81Å; V411-W434 HydrophobicContact CG2-CE3 4.39Å; V411-W434 HydrophobicContact CG2-CH2 3.31Å; V411-W434 HydrophobicContact CG2-CZ2 4.32Å; V411-W434 HydrophobicContact CG2-CZ3 3.35Å; E425-W434 HydrophobicContact CB-CE3 3.71Å; E425-W434 HydrophobicContact CB-CZ3 4.37Å; C426-W434 CarbonylContact O-C 3.46Å; C426-W434 WeakPolarHBondContact O-CA 3.26Å; Y427-W434 VanDerWaalsContact CB-CZ3 3.48Å; Y427-W434 AromaticContact CD2-CD1 3.9Å; Y427-W434 AromaticContact CD2-CD2 3.99Å; Y427-W434 HydrophobicContact CD2-CD2 3.99Å; Y427-W434 AromaticContact CD2-CE2 3.6Å; Y427-W434 HydrophobicContact CD2-CG 4.15Å; Y427-W434 HydrophobicContact CD2-CZ2 4.03Å; Y427-W434 AromaticContact CD2-NE1 3.54Å; Y427-W434 HydrophobicContact CG-CD2 4.25Å; Y427-W434 AromaticContact CG-CE2 3.88Å; Y427-W434 HydrophobicContact CG-CH2 4.23Å; Y427-W434 AromaticContact CG-CZ2 3.88Å; Y427-W434 HydrophobicContact CG-CZ2 3.88Å
435	T	97.7	Very high	96.9	Very high	80 Å²	80	55.1 Å²	55.1	49%	0.491	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.6	175.1	55.4	0	0	0	0	110.1	E425 C426	E425-T435 CarbonylContact C-O 3.45Å; E425-T435 WeakPolarHBondContact CA-O 3.32Å; C426-T435 PolarHBondContact N-O 2.64Å; C426-T435 PolarHBondContact O-N 3.44Å; C426-T435 PolarHBondContact O-OG1 3.28Å
436	E	97.6	Very high	96.9	Very high	134 Å²	134	55.7 Å²	55.7	63%	0.626	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	140.6	173.2	-66	-170.2	163.2	0	0	111.1	E425	E425-E436 HydrophobicContact CG-CG 4.4Å
437	V	98.1	Very high	96.9	Very high	27 Å²	27	55.5 Å²	55.5	16%	0.164	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-179	174.5	-59.2	0	0	0	0	109.6	Y410 V424 C426 Y475	Y410-V437 HydrophobicContact CD1-CG2 4.37Å; Y410-V437 HydrophobicContact CE1-CG1 4.45Å; Y410-V437 HydrophobicContact CE1-CG2 4.33Å; V424-V437 HydrophobicContact CB-CG2 3.64Å; V424-V437 HydrophobicContact CG1-CG2 3.45Å; V424-V437 VanDerWaalsContact CG1-CG2 3.45Å; V424-V437 PolarHBondContact O-N 3.32Å; C426-V437 HydrophobicContact CB-CG1 3.79Å; V437-Y475 HydrophobicContact CG2-CE2 4.49Å
438	A	98.2	Very high	96.9	Very high	20 Å²	20	55.3 Å²	55.3	17%	0.165	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53	134.5	-178.4	0	0	0	0	0	111.8	Y475 N480 W482	A438-Y475 HydrophobicContact CB-CE2 4.28Å; A438-N480 WeakPolarHBondContact CB-O 3.49Å; A438-N480 PolarHBondContact N-OD1 3.14Å; A438-W482 PolarHBondContact O-NE1 2.93Å
439	P	98.3	Very high	97	Very high	77 Å²	77	53.6 Å²	53.6	50%	0.5	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-73.8	154.6	-178.6	31	-35.4	0	0	0	111.3	S422 W482	S422-P439 CarbonylContact O-C 3.53Å; S422-P439 VanDerWaalsContact O-CA 3.27Å; S422-P439 WeakPolarHBondContact O-CA 3.36Å; S422-P439 WeakPolarHBondContact O-CB 3.25Å; P439-W482 PolarHBondContact O-NE1 2.76Å
440	L	98.2	Very high	97.3	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.042	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-54.7	146.6	169.8	-61.3	173.1	0	0	0	110.8	V412 S422 V424 E442 V444 V458 W482	V412-L440 HydrophobicContact CG1-CD1 3.81Å; V412-L440 HydrophobicContact CG1-CD2 3.91Å; V412-L440 HydrophobicContact CG1-CG 4.21Å; S422-L440 PolarHBondContact O-N 2.64Å; V424-L440 HydrophobicContact CG2-CD2 4.21Å; V424-L440 HydrophobicContact CG2-CG 3.94Å; L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 WeakPolarHBondContact CB-O 3.21Å; L440-E442 PolarHBondContact O-N 2.87Å; L440-V444 HydrophobicContact CD1-CG2 4.04Å; L440-V458 HydrophobicContact CD2-CB 4.32Å; L440-V458 HydrophobicContact CD2-CG1 4.4Å; L440-V458 HydrophobicContact CD2-CG2 3.85Å; L440-W482 HydrophobicContact CD2-CD2 4.01Å; L440-W482 HydrophobicContact CD2-CE3 3.95Å; L440-W482 HydrophobicContact CD2-CH2 3.44Å; L440-W482 VanDerWaalsContact CD2-CH2 3.44Å; L440-W482 HydrophobicContact CD2-CZ2 3.49Å; L440-W482 VanDerWaalsContact CD2-CZ2 3.49Å; L440-W482 HydrophobicContact CD2-CZ3 3.68Å
441	K	97.6	Very high	97.5	Very high	127 Å²	127	43.9 Å²	43.9	55%	0.552	23%	0.232	S	C	*	.	S	Bend	trans	-67	-32	172.6	-67.5	-178.5	-174.1	-77.4	0	112	W482 L484	K441-W482 VanDerWaalsContact CE-C 3.44Å; K441-W482 WeakPolarHBondContact CE-O 3.31Å; K441-W482 HydrophobicContact CG-CB 4.16Å; K441-W482 PolarHBondContact NZ-O 2.86Å; K441-W482 VanDerWaalsContact NZ-O 3.1Å; K441-L484 HydrophobicContact CD-CD1 4.44Å; K441-L484 HydrophobicContact CD-CD2 4.06Å; K441-L484 HydrophobicContact CD-CG 3.84Å
442	E	97.5	Very high	97.5	Very high	38 Å²	38	41.7 Å²	41.7	18%	0.178	22%	0.216	C	C	.	.	S	Bend	trans	-128.5	124.3	173.2	-176.5	175.4	81.9	0	0	109.6	L440 V444 P463 S469 K471 Q473	L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 WeakPolarHBondContact CB-O 3.21Å; L440-E442 PolarHBondContact O-N 2.87Å; E442-V444 HydrophobicContact CG-CG1 4.23Å; E442-P463 HydrophobicContact CG-CB 4.06Å; E442-S469 WeakPolarHBondContact OE1-CB 3.39Å; E442-S469 PolarHBondContact OE1-OG 2.89Å; E442-K471 HydrophobicContact CB-CD 4.47Å; E442-K471 WeakPolarHBondContact OE2-CE 3.32Å; E442-K471 IonicContact OE2-NZ 2.63Å; E442-K471 PolarHBondContact OE2-NZ 2.67Å; E442-Q473 VanDerWaalsContact N-OE1 3.16Å; E442-Q473 PolarHBondContact O-NE2 3.04Å
443	A	98	Very high	97.2	Very high	28 Å²	28	42 Å²	42	23%	0.231	22%	0.221	C	C	.	.			trans	-68.5	130.7	175	0	0	0	0	0	110.2	R420 L421 P463	R420-A443 HydrophobicContact CB-CB 4.09Å; L421-A443 WeakPolarHBondContact O-CA 3.24Å; A443-P463 VanDerWaalsContact O-CA 3.28Å; A443-P463 WeakPolarHBondContact O-CA 3.47Å; A443-P463 WeakPolarHBondContact O-CB 3.47Å
444	V	97.9	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.			trans	-142.2	149.8	-175.9	-68.3	0	0	0	0	112	G414 L421 L440 E442 P447 V458 P463	G414-V444 PolarHBondContact N-O 2.98Å; L421-V444 PolarHBondContact O-N 3.22Å; L440-V444 HydrophobicContact CD1-CG2 4.04Å; E442-V444 HydrophobicContact CG-CG1 4.23Å; V444-P447 HydrophobicContact CG2-CB 3.95Å; V444-P447 HydrophobicContact CG2-CG 4.09Å; V444-V458 HydrophobicContact CG2-CG1 4.13Å; V444-P463 HydrophobicContact CG1-CB 4.42Å
445	S	97.2	Very high	97	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-115.3	155.8	164.9	63.4	0	0	0	0	111.7	R420 P447 G461 G462	R420-S445 WeakPolarHBondContact CD-OG 3.21Å; R420-S445 PolarHBondContact NE-OG 3.1Å; S445-P447 VanDerWaalsContact C-N 3.31Å; S445-G461 CarbonylContact O-C 3.54Å; S445-G461 VanDerWaalsContact O-CA 3.31Å; S445-G461 WeakPolarHBondContact O-CA 3.19Å; S445-G462 PolarHBondContact N-O 2.77Å; S445-G462 PolarHBondContact O-N 3.16Å; S445-G462 PolarHBondContact OG-O 2.85Å
446	S	96.4	Very high	97	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.084	20%	0.195	C	C	.	.	S	Bend	trans	50	42.1	-175.3	-55	0	0	0	0	114.2	R399 C494	R399-S446 WeakPolarHBondContact CB-OG 3.23Å; R399-S446 WeakPolarHBondContact CG-OG 3.26Å; R399-S446 WeakPolarHBondContact O-CA 3.47Å; R399-S446 PolarHBondContact O-N 2.83Å; S446-C494 PolarHBondContact O-N 3.17Å
447	P	97.6	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.			trans	-74	169.1	172.8	35.9	-36.7	0	0	0	110.7	K401 V444 S445 V449 V458	K401-P447 WeakPolarHBondContact CE-O 3.47Å; K401-P447 HydrophobicContact CG-CG 4.38Å; K401-P447 WeakPolarHBondContact CG-O 3.44Å; V444-P447 HydrophobicContact CG2-CB 3.95Å; V444-P447 HydrophobicContact CG2-CG 4.09Å; S445-P447 VanDerWaalsContact C-N 3.31Å; P447-V449 HydrophobicContact CB-CG2 4.36Å; P447-V449 HydrophobicContact CG-CG2 3.98Å; P447-V458 HydrophobicContact CB-CG1 3.83Å; P447-V458 HydrophobicContact CG-CG1 4.28Å
448	A	97.8	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.5	157.2	0	0	0	0	0	109.5	V458 I459 I495 A497	A448-V458 WeakPolarHBondContact O-CA 3.42Å; A448-I459 HydrophobicContact CB-CB 4.35Å; A448-I459 PolarHBondContact N-O 3.4Å; A448-I459 PolarHBondContact O-N 2.76Å; A448-I495 HydrophobicContact CB-CB 4.37Å; A448-I495 HydrophobicContact CB-CD1 3.9Å; A448-I495 HydrophobicContact CB-CG1 3.77Å; A448-A497 HydrophobicContact CB-CB 3.69Å
449	V	98	Very high	97.1	Very high	12 Å²	12	25.8 Å²	25.8	7%	0.073	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.1	-179.2	-178	0	0	0	0	109.8	K401 A403 V412 P447 L456 F457 V458	K401-V449 HydrophobicContact CB-CB 3.69Å; K401-V449 HydrophobicContact CB-CG2 3.53Å; K401-V449 HydrophobicContact CG-CB 4.41Å; K401-V449 HydrophobicContact CG-CG2 4.13Å; A403-V449 HydrophobicContact CB-CG1 3.87Å; V412-V449 HydrophobicContact CB-CG2 4.23Å; V412-V449 HydrophobicContact CG1-CG2 4.33Å; V412-V449 HydrophobicContact CG2-CG1 4.12Å; P447-V449 HydrophobicContact CB-CG2 4.36Å; P447-V449 HydrophobicContact CG-CG2 3.98Å; V449-L456 HydrophobicContact CG1-CD1 3.57Å; V449-L456 HydrophobicContact CG1-CG 4.24Å; V449-F457 VanDerWaalsContact CA-O 3.25Å; V449-F457 WeakPolarHBondContact CA-O 3.39Å; V449-V458 HydrophobicContact CG1-CG2 4.43Å; V449-V458 HydrophobicContact CG2-CB 4.45Å; V449-V458 HydrophobicContact CG2-CG1 4.21Å; V449-V458 HydrophobicContact CG2-CG2 4.09Å
450	T	97.3	Very high	97	Very high	14 Å²	14	22.2 Å²	22.2	9%	0.086	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154	174	-170.9	0	0	0	0	110.6	F457 A497 S499 I504	T450-F457 PolarHBondContact N-O 2.85Å; T450-F457 VanDerWaalsContact N-O 3.14Å; T450-F457 PolarHBondContact O-N 2.94Å; T450-A497 HydrophobicContact CG2-CB 4.04Å; T450-S499 PolarHBondContact OG1-N 2.52Å; T450-I504 HydrophobicContact CG2-CB 4.3Å; T450-I504 HydrophobicContact CG2-CD1 3.77Å; T450-I504 HydrophobicContact CG2-CG1 3.84Å; T450-I504 HydrophobicContact CG2-CG2 3.6Å
451	S	96.1	Very high	97	Very high	29 Å²	29	21.8 Å²	21.8	20%	0.203	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	148	162	58.2	0	0	0	0	110	V404 K455 S499	V404-S451 WeakPolarHBondContact O-CB 3.46Å; V404-S451 PolarHBondContact O-OG 3.34Å; S451-K455 CarbonylContact C-O 3.59Å; S451-K455 VanDerWaalsContact CA-O 3.27Å; S451-K455 WeakPolarHBondContact CA-O 3.24Å; S451-S499 WeakPolarHBondContact O-CB 3.29Å
452	C	95	Very high	96.9	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.034	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	139.2	168.5	-160.9	0	0	0	0	109.4	G454 K455 F457 S499 N502 I504 P519	C452-G454 VanDerWaalsContact C-N 3.26Å; C452-G454 PolarHBondContact O-N 3.1Å; C452-G454 VanDerWaalsContact O-N 3.14Å; C452-K455 PolarHBondContact N-O 2.98Å; C452-K455 PolarHBondContact O-N 3.02Å; C452-K455 VanDerWaalsContact O-O 3.12Å; C452-F457 HydrophobicContact CB-CD2 4.12Å; C452-F457 HydrophobicContact CB-CE2 4.01Å; C452-F457 WeakPolarHBondContact O-CE2 3.39Å; C452-S499 PolarHBondContact SG-OG 2.89Å; C452-N502 PolarHBondContact SG-O 2.92Å; C452-I504 HydrophobicContact CB-CD1 3.66Å; C452-I504 HydrophobicContact CB-CG1 3.59Å; C452-P519 HydrophobicContact CB-CG 4.19Å
453	V	92	Very high	96.9	Very high	79 Å²	79	15.6 Å²	15.6	48%	0.479	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	46.4	176.2	-159.9	0	0	0	0	113.2	K455 N502 P519	V453-K455 PolarHBondContact O-N 3Å; V453-N502 HydrophobicContact CG2-CB 3.93Å; V453-P519 HydrophobicContact CG2-CB 4.44Å; V453-P519 HydrophobicContact CG2-CG 4.42Å
454	G	92.8	Very high	96.7	Very high	35 Å²	35	17.4 Å²	17.4	36%	0.361	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	7.7	177.6	0	0	0	0	0	115.8	L405 C452	L405-G454 VanDerWaalsContact CD1-C 3.49Å; C452-G454 VanDerWaalsContact C-N 3.26Å; C452-G454 PolarHBondContact O-N 3.1Å; C452-G454 VanDerWaalsContact O-N 3.14Å
455	K	97.1	Very high	96.4	Very high	69 Å²	69	22.5 Å²	22.5	30%	0.3	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	159.1	178.6	-64	-173.1	-179.2	-166.2	0	111.3	S451 C452 V453 F457 Y475 D476	S451-K455 CarbonylContact C-O 3.59Å; S451-K455 VanDerWaalsContact CA-O 3.27Å; S451-K455 WeakPolarHBondContact CA-O 3.24Å; C452-K455 PolarHBondContact N-O 2.98Å; C452-K455 PolarHBondContact O-N 3.02Å; C452-K455 VanDerWaalsContact O-O 3.12Å; V453-K455 PolarHBondContact O-N 3Å; K455-F457 HydrophobicContact CB-CD2 4.47Å; K455-F457 HydrophobicContact CB-CE2 3.73Å; K455-F457 HydrophobicContact CB-CZ 4.19Å; K455-Y475 WeakPolarHBondContact CA-O 3.26Å; K455-Y475 WeakPolarHBondContact CB-O 3.3Å; K455-D476 WeakPolarHBondContact CE-OD2 3.41Å; K455-D476 IonicContact NZ-OD2 3.62Å; K455-D476 PolarHBondContact NZ-OD2 3Å
456	L	98.1	Very high	96.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.2	175.1	176.7	73.2	0	0	0	109.2	A403 L405 Y410 V412 V449 S474 Y475 W482	A403-L456 HydrophobicContact CB-CD1 3.62Å; L405-L456 HydrophobicContact CD2-CB 4Å; Y410-L456 HydrophobicContact CD1-CD2 4.21Å; Y410-L456 HydrophobicContact CG-CD2 4.03Å; V412-L456 HydrophobicContact CG2-CD2 3.81Å; V449-L456 HydrophobicContact CG1-CD1 3.57Å; V449-L456 HydrophobicContact CG1-CG 4.24Å; L456-S474 CarbonylContact O-C 3.46Å; L456-S474 VanDerWaalsContact O-CA 3.26Å; L456-S474 WeakPolarHBondContact O-CA 3.23Å; L456-Y475 HydrophobicContact CB-CD1 4.29Å; L456-Y475 HydrophobicContact CD2-CD1 4.48Å; L456-Y475 PolarHBondContact N-O 3.01Å; L456-Y475 PolarHBondContact O-N 3.35Å; L456-W482 HydrophobicContact CD2-CH2 3.94Å; L456-W482 HydrophobicContact CD2-CZ2 4.45Å; L456-W482 HydrophobicContact CG-CH2 4.35Å
457	F	98.4	Very high	96.1	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.2	-178.8	-69	-98	0	0	0	110.6	V449 T450 C452 K455 I459 V472 Q473 R485 I504 Y517 P519	V449-F457 VanDerWaalsContact CA-O 3.25Å; V449-F457 WeakPolarHBondContact CA-O 3.39Å; T450-F457 PolarHBondContact N-O 2.85Å; T450-F457 VanDerWaalsContact N-O 3.14Å; T450-F457 PolarHBondContact O-N 2.94Å; C452-F457 HydrophobicContact CB-CD2 4.12Å; C452-F457 HydrophobicContact CB-CE2 4.01Å; C452-F457 WeakPolarHBondContact O-CE2 3.39Å; K455-F457 HydrophobicContact CB-CD2 4.47Å; K455-F457 HydrophobicContact CB-CE2 3.73Å; K455-F457 HydrophobicContact CB-CZ 4.19Å; F457-I459 HydrophobicContact CB-CD1 4.44Å; F457-V472 HydrophobicContact CD1-CG1 4.11Å; F457-Q473 CarbonylContact C-O 3.56Å; F457-Q473 WeakPolarHBondContact CA-O 3.42Å; F457-R485 HydrophobicContact CE1-CG 4.22Å; F457-I504 HydrophobicContact CB-CD1 3.75Å; F457-I504 HydrophobicContact CD1-CD1 4Å; F457-I504 HydrophobicContact CD2-CD1 3.48Å; F457-I504 VanDerWaalsContact CD2-CD1 3.48Å; F457-I504 HydrophobicContact CE2-CD1 4.06Å; F457-I504 HydrophobicContact CG-CD1 3.45Å; F457-I504 VanDerWaalsContact CG-CD1 3.45Å; F457-Y517 HydrophobicContact CD1-CE1 4.06Å; F457-Y517 AromaticContact CE1-CE1 3.73Å; F457-Y517 HydrophobicContact CE1-CE1 3.73Å; F457-P519 HydrophobicContact CE1-CB 4.33Å; F457-P519 HydrophobicContact CE2-CB 4.33Å; F457-P519 HydrophobicContact CE2-CG 4.44Å; F457-P519 HydrophobicContact CZ-CB 3.73Å; F457-P519 HydrophobicContact CZ-CG 4.2Å
458	V	98.5	Very high	96.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.6	176.5	-176.9	0	0	0	0	107.4	V412 L440 V444 P447 A448 V449 V472 Q473 W482	V412-V458 HydrophobicContact CG1-CG1 4.33Å; V412-V458 HydrophobicContact CG1-CG2 3.61Å; L440-V458 HydrophobicContact CD2-CB 4.32Å; L440-V458 HydrophobicContact CD2-CG1 4.4Å; L440-V458 HydrophobicContact CD2-CG2 3.85Å; V444-V458 HydrophobicContact CG2-CG1 4.13Å; P447-V458 HydrophobicContact CB-CG1 3.83Å; P447-V458 HydrophobicContact CG-CG1 4.28Å; A448-V458 WeakPolarHBondContact O-CA 3.42Å; V449-V458 HydrophobicContact CG1-CG2 4.43Å; V449-V458 HydrophobicContact CG2-CB 4.45Å; V449-V458 HydrophobicContact CG2-CG1 4.21Å; V449-V458 HydrophobicContact CG2-CG2 4.09Å; V458-V472 CarbonylContact O-C 3.53Å; V458-V472 WeakPolarHBondContact O-CA 3.33Å; V458-Q473 HydrophobicContact CB-CB 4.3Å; V458-Q473 PolarHBondContact N-O 3.26Å; V458-Q473 PolarHBondContact O-N 3.17Å; V458-W482 HydrophobicContact CB-CZ3 4.34Å; V458-W482 HydrophobicContact CG2-CH2 3.55Å; V458-W482 HydrophobicContact CG2-CZ3 3.57Å
459	I	98.4	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.7	-168.3	-61	156.3	0	0	0	108.2	A448 F457 V472 I488 I495 A497 I504 V506 W524	A448-I459 HydrophobicContact CB-CB 4.35Å; A448-I459 PolarHBondContact N-O 3.4Å; A448-I459 PolarHBondContact O-N 2.76Å; F457-I459 HydrophobicContact CB-CD1 4.44Å; I459-V472 HydrophobicContact CG1-CG1 3.95Å; I459-V472 HydrophobicContact CG1-CG2 4.23Å; I459-V472 HydrophobicContact CG2-CG2 4.28Å; I459-I488 HydrophobicContact CG2-CB 4.11Å; I459-I488 HydrophobicContact CG2-CD1 3.73Å; I459-I488 HydrophobicContact CG2-CG1 4.43Å; I459-I488 HydrophobicContact CG2-CG2 4.26Å; I459-I495 HydrophobicContact CG2-CD1 4Å; I459-I495 WeakPolarHBondContact O-CD1 3.48Å; I459-A497 HydrophobicContact CD1-CB 4.4Å; I459-I504 HydrophobicContact CD1-CG2 3.77Å; I459-V506 HydrophobicContact CD1-CG2 3.88Å; I459-V506 HydrophobicContact CG2-CG2 4.41Å; I459-W524 HydrophobicContact CD1-CH2 4.17Å; I459-W524 HydrophobicContact CG2-CH2 4.1Å; I459-W524 HydrophobicContact CG2-CZ2 4.32Å
460	G	97.5	Very high	96	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	22%	0.221	C	C	.	.			trans	58.9	-142.7	176.1	0	0	0	0	0	114.2	S469 K471	G460-S469 VanDerWaalsContact CA-O 3.26Å; G460-S469 WeakPolarHBondContact CA-O 3.25Å; G460-K471 PolarHBondContact N-O 2.89Å; G460-K471 VanDerWaalsContact N-O 3.09Å
461	G	97.2	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.			trans	98.3	-179.8	-171.8	0	0	0	0	0	112.9	S445 C468 S469 K492	S445-G461 CarbonylContact O-C 3.54Å; S445-G461 VanDerWaalsContact O-CA 3.31Å; S445-G461 WeakPolarHBondContact O-CA 3.19Å; G461-C468 CarbonylContact O-C 3.6Å; G461-C468 WeakPolarHBondContact O-CA 3.46Å; G461-S469 PolarHBondContact O-N 2.97Å; G461-K492 PolarHBondContact N-O 3.18Å
462	G	96.9	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-109.7	111	179.3	0	0	0	0	0	111.4	S445 D464	S445-G462 PolarHBondContact N-O 2.77Å; S445-G462 PolarHBondContact O-N 3.16Å; S445-G462 PolarHBondContact OG-O 2.85Å; G462-D464 VanDerWaalsContact C-N 3.3Å
463	P	97.1	Very high	96.3	Very high	35 Å²	35	39.3 Å²	39.3	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	-75.1	-22.2	174.3	31.3	-33.7	0	0	0	112.5	R420 E442 A443 V444 T467	R420-P463 WeakPolarHBondContact CG-O 3.41Å; E442-P463 HydrophobicContact CG-CB 4.06Å; A443-P463 VanDerWaalsContact O-CA 3.28Å; A443-P463 WeakPolarHBondContact O-CA 3.47Å; A443-P463 WeakPolarHBondContact O-CB 3.47Å; V444-P463 HydrophobicContact CG1-CB 4.42Å; P463-T467 WeakPolarHBondContact CG-OG1 3.24Å
464	D	94.4	Very high	96.6	Very high	66 Å²	66	35.8 Å²	35.8	35%	0.353	20%	0.201	S	C	.	.	S	Bend	trans	-139.6	-165.2	170.1	62	60.3	0	0	0	110.2	R420 G462 N466 T467	R420-D464 PolarHBondContact NH2-O 2.87Å; G462-D464 VanDerWaalsContact C-N 3.3Å; D464-N466 WeakPolarHBondContact OD1-CA 3.21Å; D464-N466 PolarHBondContact OD1-N 2.89Å; D464-T467 PolarHBondContact OD1-N 3.03Å; D464-T467 PolarHBondContact OD1-OG1 3.04Å; D464-T467 VanDerWaalsContact OD1-OG1 3.1Å; D464-T467 PolarHBondContact OD2-OG1 2.76Å
465	D	90.1	Very high	96.9	Very high	106 Å²	106	34.3 Å²	34.3	57%	0.567	19%	0.185	S	C	*	.	S	Bend	trans	-82.6	-23.6	-179.4	-71.7	-38.1	0	0	0	113.7	R420 R493	R420-D465 IonicContact CZ-OD1 3.58Å; R420-D465 IonicContact NH1-OD1 3.09Å; R420-D465 IonicContact NH2-OD1 3.28Å; R420-D465 PolarHBondContact NH2-OD1 2.83Å; D465-R493 PolarHBondContact O-NH1 3.1Å
466	N	92.4	Very high	96.9	Very high	156 Å²	156	32.3 Å²	32.3	83%	0.834	18%	0.177	S	C	*	.	S	Bend	trans	-105.3	-23.5	-168.7	-65.9	-21.5	0	0	0	113.5	D464	D464-N466 WeakPolarHBondContact OD1-CA 3.21Å; D464-N466 PolarHBondContact OD1-N 2.89Å
467	T	95.6	Very high	96.8	Very high	61 Å²	61	33.8 Å²	33.8	37%	0.374	19%	0.187	S	C	.	.			trans	-112.8	156.6	-174.9	70.3	0	0	0	0	112	P463 D464	P463-T467 WeakPolarHBondContact CG-OG1 3.24Å; D464-T467 PolarHBondContact OD1-N 3.03Å; D464-T467 PolarHBondContact OD1-OG1 3.04Å; D464-T467 VanDerWaalsContact OD1-OG1 3.1Å; D464-T467 PolarHBondContact OD2-OG1 2.76Å
468	C	96.8	Very high	96.7	Very high	46 Å²	46	42 Å²	42	31%	0.311	23%	0.225	S	C	.	.			trans	-118.2	142.3	166.7	-68.5	0	0	0	0	107.8	G461 A491	G461-C468 CarbonylContact O-C 3.6Å; G461-C468 WeakPolarHBondContact O-CA 3.46Å; C468-A491 HydrophobicContact CB-CB 4.03Å
469	S	97.3	Very high	96.7	Very high	7 Å²	7	46.2 Å²	46.2	5%	0.049	25%	0.251	C	S	.	.			trans	-83.5	141.9	174.7	-168.7	0	0	0	0	110.5	E442 G460 G461 K471 A491	E442-S469 WeakPolarHBondContact OE1-CB 3.39Å; E442-S469 PolarHBondContact OE1-OG 2.89Å; G460-S469 VanDerWaalsContact CA-O 3.26Å; G460-S469 WeakPolarHBondContact CA-O 3.25Å; G461-S469 PolarHBondContact O-N 2.97Å; S469-K471 WeakPolarHBondContact OG-CB 3.31Å; S469-K471 PolarHBondContact OG-N 3.43Å; S469-K471 VanDerWaalsContact OG-N 3.14Å; S469-A491 WeakPolarHBondContact O-CA 3.4Å
470	D	97.5	Very high	96.6	Very high	77 Å²	77	49.8 Å²	49.8	41%	0.412	27%	0.27	S	S	.	.			trans	-97	-3.1	165	60.2	-6.2	0	0	0	112	A487 I488 A491	D470-A487 HydrophobicContact CB-CB 4.19Å; D470-A487 CarbonylContact O-C 3.56Å; D470-A487 VanDerWaalsContact O-CA 3.26Å; D470-A487 WeakPolarHBondContact O-CA 3.47Å; D470-A487 WeakPolarHBondContact O-CB 3.29Å; D470-I488 HydrophobicContact CB-CG2 4.43Å; D470-I488 WeakPolarHBondContact O-CG2 3.43Å; D470-I488 PolarHBondContact O-N 2.81Å; D470-A491 HydrophobicContact CB-CB 4.01Å
471	K	98.1	Very high	96.7	Very high	79 Å²	79	51.9 Å²	51.9	34%	0.343	28%	0.284	S	S	.	.			trans	-70.3	142.3	-173.9	-63.6	178.1	-175.7	163.4	0	111.1	E442 G460 S469 L484	E442-K471 HydrophobicContact CB-CD 4.47Å; E442-K471 WeakPolarHBondContact OE2-CE 3.32Å; E442-K471 IonicContact OE2-NZ 2.63Å; E442-K471 PolarHBondContact OE2-NZ 2.67Å; G460-K471 PolarHBondContact N-O 2.89Å; G460-K471 VanDerWaalsContact N-O 3.09Å; S469-K471 WeakPolarHBondContact OG-CB 3.31Å; S469-K471 PolarHBondContact OG-N 3.43Å; S469-K471 VanDerWaalsContact OG-N 3.14Å; K471-L484 HydrophobicContact CB-CD2 4.41Å; K471-L484 HydrophobicContact CD-CD2 4.4Å
472	V	98.5	Very high	96.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.2	169.2	-179.3	0	0	0	0	107.2	F457 V458 I459 L484 R485 A486 I488 W524	F457-V472 HydrophobicContact CD1-CG1 4.11Å; V458-V472 CarbonylContact O-C 3.53Å; V458-V472 WeakPolarHBondContact O-CA 3.33Å; I459-V472 HydrophobicContact CG1-CG1 3.95Å; I459-V472 HydrophobicContact CG1-CG2 4.23Å; I459-V472 HydrophobicContact CG2-CG2 4.28Å; V472-L484 WeakPolarHBondContact O-CA 3.11Å; V472-R485 HydrophobicContact CB-CB 4.03Å; V472-R485 HydrophobicContact CG1-CB 3.88Å; V472-R485 HydrophobicContact CG1-CG 4.38Å; V472-R485 PolarHBondContact O-N 2.91Å; V472-A486 WeakPolarHBondContact CG2-O 3Å; V472-I488 HydrophobicContact CG2-CB 4.43Å; V472-W524 HydrophobicContact CG2-CZ2 3.73Å
473	Q	98.4	Very high	96.8	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.5	-179.3	-48.3	-178.7	61.5	0	0	108.1	E442 F457 V458 W482 L483 L484	E442-Q473 VanDerWaalsContact N-OE1 3.16Å; E442-Q473 PolarHBondContact O-NE2 3.04Å; F457-Q473 CarbonylContact C-O 3.56Å; F457-Q473 WeakPolarHBondContact CA-O 3.42Å; V458-Q473 HydrophobicContact CB-CB 4.3Å; V458-Q473 PolarHBondContact N-O 3.26Å; V458-Q473 PolarHBondContact O-N 3.17Å; Q473-W482 HydrophobicContact CB-CE3 3.7Å; Q473-W482 HydrophobicContact CB-CZ3 4.06Å; Q473-W482 WeakPolarHBondContact O-CZ3 3.27Å; Q473-L483 CarbonylContact C-O 3.53Å; Q473-L483 WeakPolarHBondContact CA-O 3.43Å; Q473-L484 HydrophobicContact CG-CD2 3.99Å
474	S	98.3	Very high	96.8	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.028	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.6	177.4	63.5	0	0	0	0	110.3	L456 W482 L483 R485	L456-S474 CarbonylContact O-C 3.46Å; L456-S474 VanDerWaalsContact O-CA 3.26Å; L456-S474 WeakPolarHBondContact O-CA 3.23Å; S474-W482 VanDerWaalsContact C-CE3 3.46Å; S474-W482 CarbonylContact O-C 3.58Å; S474-W482 VanDerWaalsContact O-CA 3.23Å; S474-W482 WeakPolarHBondContact O-CA 3.37Å; S474-L483 PolarHBondContact N-O 2.85Å; S474-L483 PolarHBondContact O-N 2.81Å; S474-L483 PolarHBondContact OG-O 2.85Å; S474-R485 WeakPolarHBondContact OG-CG 3.37Å
475	Y	98.6	Very high	97	Very high	5 Å²	5	60 Å²	60	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.3	177.7	172.1	-103.6	0	0	0	110.7	Y410 V437 A438 K455 L456 P477 N480 S481 W482	Y410-Y475 HydrophobicContact CD1-CE1 4.38Å; Y410-Y475 HydrophobicContact CE1-CD1 4.34Å; Y410-Y475 AromaticContact CE1-CE1 3.61Å; Y410-Y475 HydrophobicContact CE1-CE1 3.61Å; V437-Y475 HydrophobicContact CG2-CE2 4.49Å; A438-Y475 HydrophobicContact CB-CE2 4.28Å; K455-Y475 WeakPolarHBondContact CA-O 3.26Å; K455-Y475 WeakPolarHBondContact CB-O 3.3Å; L456-Y475 HydrophobicContact CB-CD1 4.29Å; L456-Y475 HydrophobicContact CD2-CD1 4.48Å; L456-Y475 PolarHBondContact N-O 3.01Å; L456-Y475 PolarHBondContact O-N 3.35Å; Y475-P477 HydrophobicContact CE1-CB 3.97Å; Y475-N480 VanDerWaalsContact CE2-OD1 3.31Å; Y475-N480 WeakPolarHBondContact CE2-OD1 2.84Å; Y475-N480 PolarHBondContact OH-OD1 2.87Å; Y475-S481 WeakPolarHBondContact CA-O 3.47Å; Y475-W482 VanDerWaalsContact CB-CH2 3.4Å; Y475-W482 VanDerWaalsContact CB-CZ2 3.46Å; Y475-W482 VanDerWaalsContact CB-CZ3 3.45Å; Y475-W482 AromaticContact CD2-CD1 3.95Å; Y475-W482 HydrophobicContact CD2-CD2 4.1Å; Y475-W482 AromaticContact CD2-CE2 3.62Å; Y475-W482 HydrophobicContact CD2-CG 4.27Å; Y475-W482 AromaticContact CD2-CZ2 3.97Å; Y475-W482 HydrophobicContact CD2-CZ2 3.97Å; Y475-W482 AromaticContact CD2-NE1 3.54Å; Y475-W482 HydrophobicContact CG-CD2 4.33Å; Y475-W482 AromaticContact CG-CE2 3.91Å; Y475-W482 HydrophobicContact CG-CH2 4.24Å; Y475-W482 AromaticContact CG-CZ2 3.85Å; Y475-W482 HydrophobicContact CG-CZ2 3.85Å
476	D	97.5	Very high	97.4	Very high	27 Å²	27	56.5 Å²	56.5	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.3	175.6	-169.8	-48.4	0	0	0	108.9	K455 E478 T479 N480 S481	K455-D476 WeakPolarHBondContact CE-OD2 3.41Å; K455-D476 IonicContact NZ-OD2 3.62Å; K455-D476 PolarHBondContact NZ-OD2 3Å; D476-E478 VanDerWaalsContact C-N 3.26Å; D476-E478 PolarHBondContact O-N 3.14Å; D476-E478 WeakPolarHBondContact OD1-CB 3.36Å; D476-E478 PolarHBondContact OD1-N 3.03Å; D476-T479 WeakPolarHBondContact CB-OG1 3.18Å; D476-T479 PolarHBondContact OD1-N 3.21Å; D476-N480 VanDerWaalsContact O-CA 3.32Å; D476-N480 WeakPolarHBondContact O-CA 3.42Å; D476-N480 PolarHBondContact O-N 3.06Å; D476-S481 PolarHBondContact N-O 3.01Å; D476-S481 PolarHBondContact O-N 2.79Å
477	P	96.2	Very high	97.6	Very high	31 Å²	31	51.3 Å²	51.3	20%	0.201	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.2	-177.2	29.9	-36	0	0	0	113.3	L405 L406 Y475	L405-P477 HydrophobicContact CD2-CB 4.31Å; L405-P477 HydrophobicContact CD2-CG 3.89Å; L406-P477 HydrophobicContact CD1-CG 3.83Å; Y475-P477 HydrophobicContact CE1-CB 3.97Å
478	E	95.9	Very high	97.7	Very high	178 Å²	178	48.8 Å²	48.8	83%	0.832	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-44	179.9	-59.8	-175.5	167	0	0	111	D476	D476-E478 VanDerWaalsContact C-N 3.26Å; D476-E478 PolarHBondContact O-N 3.14Å; D476-E478 WeakPolarHBondContact OD1-CB 3.36Å; D476-E478 PolarHBondContact OD1-N 3.03Å
479	T	97.2	Very high	97.7	Very high	88 Å²	88	50.1 Å²	50.1	54%	0.54	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.5	178.3	63.7	0	0	0	0	113.2	D476 S481	D476-T479 WeakPolarHBondContact CB-OG1 3.18Å; D476-T479 PolarHBondContact OD1-N 3.21Å; T479-S481 VanDerWaalsContact C-N 3.27Å; T479-S481 PolarHBondContact O-N 2.8Å; T479-S481 PolarHBondContact OG1-OG 3.11Å
480	N	97.6	Very high	97.5	Very high	76 Å²	76	52.9 Å²	52.9	41%	0.406	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	50.5	-171	-173.3	32.3	0	0	0	111.5	A438 Y475 D476	A438-N480 WeakPolarHBondContact CB-O 3.49Å; A438-N480 PolarHBondContact N-OD1 3.14Å; Y475-N480 VanDerWaalsContact CE2-OD1 3.31Å; Y475-N480 WeakPolarHBondContact CE2-OD1 2.84Å; Y475-N480 PolarHBondContact OH-OD1 2.87Å; D476-N480 VanDerWaalsContact O-CA 3.32Å; D476-N480 WeakPolarHBondContact O-CA 3.42Å; D476-N480 PolarHBondContact O-N 3.06Å
481	S	98.2	Very high	97.5	Very high	45 Å²	45	51 Å²	51	32%	0.315	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.1	-174.1	78.6	0	0	0	0	112.6	Y475 D476 T479	Y475-S481 WeakPolarHBondContact CA-O 3.47Å; D476-S481 PolarHBondContact N-O 3.01Å; D476-S481 PolarHBondContact O-N 2.79Å; T479-S481 VanDerWaalsContact C-N 3.27Å; T479-S481 PolarHBondContact O-N 2.8Å; T479-S481 PolarHBondContact OG1-OG 3.11Å
482	W	98.4	Very high	97.4	Very high	13 Å²	13	50.7 Å²	50.7	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.1	177.3	-68.4	88.7	0	0	0	111	V424 A438 P439 L440 K441 L456 V458 Q473 S474 Y475	V424-W482 HydrophobicContact CG1-CZ2 4.46Å; V424-W482 HydrophobicContact CG2-CZ2 3.87Å; A438-W482 PolarHBondContact O-NE1 2.93Å; P439-W482 PolarHBondContact O-NE1 2.76Å; L440-W482 HydrophobicContact CD2-CD2 4.01Å; L440-W482 HydrophobicContact CD2-CE3 3.95Å; L440-W482 HydrophobicContact CD2-CH2 3.44Å; L440-W482 VanDerWaalsContact CD2-CH2 3.44Å; L440-W482 HydrophobicContact CD2-CZ2 3.49Å; L440-W482 VanDerWaalsContact CD2-CZ2 3.49Å; L440-W482 HydrophobicContact CD2-CZ3 3.68Å; K441-W482 VanDerWaalsContact CE-C 3.44Å; K441-W482 WeakPolarHBondContact CE-O 3.31Å; K441-W482 HydrophobicContact CG-CB 4.16Å; K441-W482 PolarHBondContact NZ-O 2.86Å; K441-W482 VanDerWaalsContact NZ-O 3.1Å; L456-W482 HydrophobicContact CD2-CH2 3.94Å; L456-W482 HydrophobicContact CD2-CZ2 4.45Å; L456-W482 HydrophobicContact CG-CH2 4.35Å; V458-W482 HydrophobicContact CB-CZ3 4.34Å; V458-W482 HydrophobicContact CG2-CH2 3.55Å; V458-W482 HydrophobicContact CG2-CZ3 3.57Å; Q473-W482 HydrophobicContact CB-CE3 3.7Å; Q473-W482 HydrophobicContact CB-CZ3 4.06Å; Q473-W482 WeakPolarHBondContact O-CZ3 3.27Å; S474-W482 VanDerWaalsContact C-CE3 3.46Å; S474-W482 CarbonylContact O-C 3.58Å; S474-W482 VanDerWaalsContact O-CA 3.23Å; S474-W482 WeakPolarHBondContact O-CA 3.37Å; Y475-W482 VanDerWaalsContact CB-CH2 3.4Å; Y475-W482 VanDerWaalsContact CB-CZ2 3.46Å; Y475-W482 VanDerWaalsContact CB-CZ3 3.45Å; Y475-W482 AromaticContact CD2-CD1 3.95Å; Y475-W482 HydrophobicContact CD2-CD2 4.1Å; Y475-W482 AromaticContact CD2-CE2 3.62Å; Y475-W482 HydrophobicContact CD2-CG 4.27Å; Y475-W482 AromaticContact CD2-CZ2 3.97Å; Y475-W482 HydrophobicContact CD2-CZ2 3.97Å; Y475-W482 AromaticContact CD2-NE1 3.54Å; Y475-W482 HydrophobicContact CG-CD2 4.33Å; Y475-W482 AromaticContact CG-CE2 3.91Å; Y475-W482 HydrophobicContact CG-CH2 4.24Å; Y475-W482 AromaticContact CG-CZ2 3.85Å; Y475-W482 HydrophobicContact CG-CZ2 3.85Å
483	L	97.9	Very high	97.2	Very high	89 Å²	89	55.2 Å²	55.2	47%	0.466	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.1	172.2	-65.4	174.9	0	0	0	110.4	Q473 S474	Q473-L483 CarbonylContact C-O 3.53Å; Q473-L483 WeakPolarHBondContact CA-O 3.43Å; S474-L483 PolarHBondContact N-O 2.85Å; S474-L483 PolarHBondContact O-N 2.81Å; S474-L483 PolarHBondContact OG-O 2.85Å
484	L	98.3	Very high	97	Very high	95 Å²	95	55.8 Å²	55.8	50%	0.497	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140	170	-65.5	176.3	0	0	0	109.4	K441 K471 V472 Q473	K441-L484 HydrophobicContact CD-CD1 4.44Å; K441-L484 HydrophobicContact CD-CD2 4.06Å; K441-L484 HydrophobicContact CD-CG 3.84Å; K471-L484 HydrophobicContact CB-CD2 4.41Å; K471-L484 HydrophobicContact CD-CD2 4.4Å; V472-L484 WeakPolarHBondContact O-CA 3.11Å; Q473-L484 HydrophobicContact CG-CD2 3.99Å
485	R	98.1	Very high	96.9	Very high	75 Å²	75	56 Å²	56	28%	0.283	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	179.8	178.7	-59.4	-61.3	-73.9	165.8	-11.6	110.5	F457 V472 S474 A487 Y517 P519 D522	F457-R485 HydrophobicContact CE1-CG 4.22Å; V472-R485 HydrophobicContact CB-CB 4.03Å; V472-R485 HydrophobicContact CG1-CB 3.88Å; V472-R485 HydrophobicContact CG1-CG 4.38Å; V472-R485 PolarHBondContact O-N 2.91Å; S474-R485 WeakPolarHBondContact OG-CG 3.37Å; R485-A487 PolarHBondContact O-N 2.93Å; R485-Y517 WeakPolarHBondContact CB-OH 3.37Å; R485-Y517 PolarHBondContact NE-OH 3.41Å; R485-P519 PolarHBondContact NH2-O 2.97Å; R485-D522 IonicContact CZ-OD1 2.83Å; R485-D522 IonicContact CZ-OD2 2.8Å; R485-D522 VanDerWaalsContact CZ-OD2 3.26Å; R485-D522 IonicContact NE-OD1 3.69Å; R485-D522 PolarHBondContact NE-OD1 2.76Å; R485-D522 IonicContact NE-OD2 3.43Å; R485-D522 IonicContact NH1-OD2 2.81Å; R485-D522 PolarHBondContact NH1-OD2 2.81Å; R485-D522 IonicContact NH2-OD1 3.84Å; R485-D522 IonicContact NH2-OD2 2.62Å
486	A	97.9	Very high	96.9	Very high	32 Å²	32	56.3 Å²	56.3	26%	0.264	31%	0.307	S	S	.	.	S	Bend	trans	-54	129.7	174.9	0	0	0	0	0	111.4	V472 Y517 D522 W524	V472-A486 WeakPolarHBondContact CG2-O 3Å; A486-Y517 HydrophobicContact CB-CE2 4.31Å; A486-D522 WeakPolarHBondContact CB-O 3.41Å; A486-D522 VanDerWaalsContact CB-OD1 3.31Å; A486-D522 WeakPolarHBondContact CB-OD1 3.32Å; A486-D522 PolarHBondContact N-OD1 3.08Å; A486-W524 PolarHBondContact O-NE1 2.9Å
487	A	98.1	Very high	96.8	Very high	48 Å²	48	55.6 Å²	55.6	40%	0.397	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-63.8	143.3	-176.5	0	0	0	0	0	111.5	D470 R485 W524	D470-A487 HydrophobicContact CB-CB 4.19Å; D470-A487 CarbonylContact O-C 3.56Å; D470-A487 VanDerWaalsContact O-CA 3.26Å; D470-A487 WeakPolarHBondContact O-CA 3.47Å; D470-A487 WeakPolarHBondContact O-CB 3.29Å; R485-A487 PolarHBondContact O-N 2.93Å; A487-W524 PolarHBondContact O-NE1 3.12Å
488	I	97.6	Very high	96.9	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.041	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-65	136.8	173.9	-173.6	173.4	0	0	0	109	I459 D470 V472 I490 I495 V506 W524	I459-I488 HydrophobicContact CG2-CB 4.11Å; I459-I488 HydrophobicContact CG2-CD1 3.73Å; I459-I488 HydrophobicContact CG2-CG1 4.43Å; I459-I488 HydrophobicContact CG2-CG2 4.26Å; D470-I488 HydrophobicContact CB-CG2 4.43Å; D470-I488 WeakPolarHBondContact O-CG2 3.43Å; D470-I488 PolarHBondContact O-N 2.81Å; V472-I488 HydrophobicContact CG2-CB 4.43Å; I488-I490 PolarHBondContact O-N 2.96Å; I488-I495 HydrophobicContact CD1-CD1 4.39Å; I488-V506 HydrophobicContact CD1-CB 4.36Å; I488-V506 HydrophobicContact CD1-CG1 3.85Å; I488-W524 HydrophobicContact CB-CH2 4.22Å; I488-W524 HydrophobicContact CB-CZ2 3.88Å; I488-W524 HydrophobicContact CD1-CH2 4.06Å; I488-W524 HydrophobicContact CD1-CZ3 4.25Å; I488-W524 HydrophobicContact CG1-CD2 4.49Å; I488-W524 HydrophobicContact CG1-CE3 4.36Å; I488-W524 HydrophobicContact CG1-CH2 3.97Å; I488-W524 HydrophobicContact CG1-CZ2 4.11Å; I488-W524 HydrophobicContact CG1-CZ3 4.09Å
489	P	96.4	Very high	96.9	Very high	74 Å²	74	47.9 Å²	47.9	48%	0.481	27%	0.27	S	S	.	.	S	Bend	trans	-57.7	-21.4	-174.8	-30	36.6	0	0	0	115.8	Y515 W524	P489-Y515 HydrophobicContact CB-CD1 4.48Å; P489-Y515 HydrophobicContact CB-CE1 3.9Å; P489-Y515 HydrophobicContact CG-CD1 4.01Å; P489-Y515 HydrophobicContact CG-CE1 3.88Å; P489-W524 HydrophobicContact CG-CB 3.76Å; P489-W524 HydrophobicContact CG-CG 4.13Å
490	I	93.1	Very high	96.7	Very high	64 Å²	64	43.8 Å²	43.8	33%	0.328	25%	0.245	S	C	.	.	S	Bend	trans	-135.3	115.7	177.7	-54	-177.3	0	0	0	109.7	I488 K492 Y515	I488-I490 PolarHBondContact O-N 2.96Å; I490-K492 HydrophobicContact CG2-CD 4.42Å; I490-K492 HydrophobicContact CG2-CG 3.92Å; I490-K492 PolarHBondContact O-N 2.78Å; I490-Y515 HydrophobicContact CD1-CE2 3.99Å; I490-Y515 WeakPolarHBondContact CD1-OH 3.39Å; I490-Y515 HydrophobicContact CG1-CE2 4.13Å; I490-Y515 WeakPolarHBondContact CG1-OH 3.33Å
491	A	96.6	Very high	96.3	Very high	38 Å²	38	44.9 Å²	44.9	31%	0.314	25%	0.251	S	S	.	.			trans	-64.1	114.4	173.6	0	0	0	0	0	111.3	C468 S469 D470	C468-A491 HydrophobicContact CB-CB 4.03Å; S469-A491 WeakPolarHBondContact O-CA 3.4Å; D470-A491 HydrophobicContact CB-CB 4.01Å
492	K	96	Very high	96	Very high	72 Å²	72	48 Å²	48	31%	0.313	26%	0.264	S	S	.	.			trans	-145.1	155.3	178.5	-70.3	-62.3	-176.7	178.3	0	112.5	G461 I490 I495 G509 T511	G461-K492 PolarHBondContact N-O 3.18Å; I490-K492 HydrophobicContact CG2-CD 4.42Å; I490-K492 HydrophobicContact CG2-CG 3.92Å; I490-K492 PolarHBondContact O-N 2.78Å; K492-I495 HydrophobicContact CB-CG2 3.71Å; K492-G509 WeakPolarHBondContact CD-O 3.29Å; K492-T511 HydrophobicContact CD-CG2 4.25Å; K492-T511 HydrophobicContact CG-CG2 3.87Å
493	R	94.8	Very high	95.9	Very high	95 Å²	95	49.1 Å²	49.1	36%	0.358	27%	0.271	S	S	.	.	S	Bend	trans	-107.9	168.2	164.4	68.2	-176	-179.2	-155.4	-0.9	110.4	D465 I495 G509	D465-R493 PolarHBondContact O-NH1 3.1Å; R493-I495 PolarHBondContact O-N 3.01Å; R493-G509 WeakPolarHBondContact O-CA 3.46Å
494	C	95.2	Very high	95.9	Very high	15 Å²	15	44.9 Å²	44.9	10%	0.101	25%	0.249	C	C	.	.	S	Bend	trans	60.4	29	-179.4	-50.8	0	0	0	0	113	S446 G509 E535 N536	S446-C494 PolarHBondContact O-N 3.17Å; C494-G509 PolarHBondContact O-N 3.43Å; C494-E535 HydrophobicContact CB-CB 3.92Å; C494-E535 WeakPolarHBondContact CB-OE2 3.42Å; C494-N536 WeakPolarHBondContact CB-OD1 3.31Å; C494-N536 PolarHBondContact O-N 2.85Å
495	I	96.4	Very high	95.9	Very high	7 Å²	7	41 Å²	41	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	165.1	170.1	50.6	166.9	0	0	0	110	A448 I459 I488 K492 R493 V506 A507	A448-I495 HydrophobicContact CB-CB 4.37Å; A448-I495 HydrophobicContact CB-CD1 3.9Å; A448-I495 HydrophobicContact CB-CG1 3.77Å; I459-I495 HydrophobicContact CG2-CD1 4Å; I459-I495 WeakPolarHBondContact O-CD1 3.48Å; I488-I495 HydrophobicContact CD1-CD1 4.39Å; K492-I495 HydrophobicContact CB-CG2 3.71Å; R493-I495 PolarHBondContact O-N 3.01Å; I495-V506 HydrophobicContact CB-CG1 4.18Å; I495-V506 HydrophobicContact CD1-CG1 3.95Å; I495-A507 WeakPolarHBondContact CA-O 3.24Å
496	T	96.6	Very high	95.9	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151	177.5	-175.4	0	0	0	0	109.8	V506 A507 M539	T496-V506 WeakPolarHBondContact O-CA 3.32Å; T496-A507 WeakPolarHBondContact CG2-O 3.32Å; T496-A507 PolarHBondContact N-O 3.29Å; T496-A507 PolarHBondContact O-N 3.12Å; T496-A507 VanDerWaalsContact O-N 3.09Å; T496-M539 VanDerWaalsContact C-CE 3.43Å; T496-M539 HydrophobicContact CG2-CB 3.5Å; T496-M539 HydrophobicContact CG2-CE 3.81Å; T496-M539 HydrophobicContact CG2-CG 4.35Å; T496-M539 HydrophobicContact CG2-SD 3.97Å; T496-M539 WeakPolarHBondContact O-CE 3.2Å
497	A	97.4	Very high	95.9	Very high	11 Å²	11	36.1 Å²	36.1	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.1	-180	0	0	0	0	0	111.3	A448 T450 I459 I504 Y505 V506	A448-A497 HydrophobicContact CB-CB 3.69Å; T450-A497 HydrophobicContact CG2-CB 4.04Å; I459-A497 HydrophobicContact CD1-CB 4.4Å; A497-I504 HydrophobicContact CB-CG2 4.18Å; A497-Y505 CarbonylContact C-O 3.53Å; A497-Y505 WeakPolarHBondContact CA-O 3.42Å; A497-V506 HydrophobicContact CB-CG2 4.09Å
498	V	96.7	Very high	95.7	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.8	169.5	-61.3	0	0	0	0	109.5	Y505 M539 V541 I546	V498-Y505 PolarHBondContact N-O 3.48Å; V498-Y505 PolarHBondContact O-N 3.47Å; V498-M539 HydrophobicContact CB-CE 4.24Å; V498-M539 HydrophobicContact CG1-CB 4.08Å; V498-M539 HydrophobicContact CG1-CE 3.9Å; V498-M539 HydrophobicContact CG1-CG 3.74Å; V498-M539 WeakPolarHBondContact CG1-O 3.47Å; V498-M539 HydrophobicContact CG2-CE 3.92Å; V498-M539 HydrophobicContact CG2-CG 4.22Å; V498-M539 HydrophobicContact CG2-SD 4.39Å; V498-V541 HydrophobicContact CB-CG2 3.89Å; V498-V541 HydrophobicContact CG2-CG2 3.67Å; V498-I546 HydrophobicContact CG2-CD1 4.22Å; V498-I546 HydrophobicContact CG2-CG1 4Å; V498-I546 HydrophobicContact CG2-CG2 4Å
499	S	95.5	Very high	95.5	Very high	34 Å²	34	33.9 Å²	33.9	24%	0.238	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.1	171.6	-179.4	0	0	0	0	111.2	T450 S451 C452 L503	T450-S499 PolarHBondContact OG1-N 2.52Å; S451-S499 WeakPolarHBondContact O-CB 3.29Å; C452-S499 PolarHBondContact SG-OG 2.89Å; S499-L503 VanDerWaalsContact CA-O 3.25Å; S499-L503 WeakPolarHBondContact CA-O 3.36Å; S499-L503 PolarHBondContact OG-O 3.42Å
500	L	93.9	Very high	95.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	130.9	174.1	174.4	57.9	0	0	0	108.4	N502 L503 Y505 V541 G544 I546 P567	L500-N502 PolarHBondContact O-N 3.45Å; L500-L503 PolarHBondContact N-O 3.2Å; L500-L503 PolarHBondContact O-N 2.89Å; L500-Y505 HydrophobicContact CB-CD2 4.28Å; L500-Y505 HydrophobicContact CB-CE2 4Å; L500-V541 HydrophobicContact CB-CG2 4.06Å; L500-V541 HydrophobicContact CD1-CG1 3.91Å; L500-V541 HydrophobicContact CD2-CG1 4.36Å; L500-G544 WeakPolarHBondContact CD2-O 3.25Å; L500-I546 HydrophobicContact CD2-CD1 4.11Å; L500-I546 HydrophobicContact CD2-CG1 3.89Å; L500-P567 HydrophobicContact CD2-CG 3.72Å
501	N	89.8	Confident	95.5	Very high	100 Å²	100	30.1 Å²	30.1	54%	0.535	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	46.2	178.4	-58.1	-20.6	0	0	0	113.8	L503	N501-L503 PolarHBondContact O-N 3.48Å; N501-L503 VanDerWaalsContact O-N 3.11Å
502	N	92.5	Very high	95.5	Very high	110 Å²	110	32.3 Å²	32.3	59%	0.588	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	8	-177	-57	-33.9	0	0	0	115.7	C452 V453 L500 P519	C452-N502 PolarHBondContact SG-O 2.92Å; V453-N502 HydrophobicContact CG2-CB 3.93Å; L500-N502 PolarHBondContact O-N 3.45Å; N502-P519 VanDerWaalsContact O-CD 3.24Å; N502-P519 WeakPolarHBondContact O-CD 3.49Å
503	L	96.2	Very high	95.5	Very high	37 Å²	37	29.3 Å²	29.3	19%	0.194	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	158.4	175	-61.4	174	0	0	0	110.3	S499 L500 N501 Y505 D518	S499-L503 VanDerWaalsContact CA-O 3.25Å; S499-L503 WeakPolarHBondContact CA-O 3.36Å; S499-L503 PolarHBondContact OG-O 3.42Å; L500-L503 PolarHBondContact N-O 3.2Å; L500-L503 PolarHBondContact O-N 2.89Å; N501-L503 PolarHBondContact O-N 3.48Å; N501-L503 VanDerWaalsContact O-N 3.11Å; L503-Y505 HydrophobicContact CB-CE2 3.89Å; L503-D518 HydrophobicContact CD2-CB 3.76Å
504	I	97.8	Very high	95.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.3	176.3	-61.2	177.2	0	0	0	109.2	T450 C452 F457 I459 A497 V506 C516 Y517 P519	T450-I504 HydrophobicContact CG2-CB 4.3Å; T450-I504 HydrophobicContact CG2-CD1 3.77Å; T450-I504 HydrophobicContact CG2-CG1 3.84Å; T450-I504 HydrophobicContact CG2-CG2 3.6Å; C452-I504 HydrophobicContact CB-CD1 3.66Å; C452-I504 HydrophobicContact CB-CG1 3.59Å; F457-I504 HydrophobicContact CB-CD1 3.75Å; F457-I504 HydrophobicContact CD1-CD1 4Å; F457-I504 HydrophobicContact CD2-CD1 3.48Å; F457-I504 VanDerWaalsContact CD2-CD1 3.48Å; F457-I504 HydrophobicContact CE2-CD1 4.06Å; F457-I504 HydrophobicContact CG-CD1 3.45Å; F457-I504 VanDerWaalsContact CG-CD1 3.45Å; I459-I504 HydrophobicContact CD1-CG2 3.77Å; A497-I504 HydrophobicContact CB-CG2 4.18Å; I504-V506 HydrophobicContact CG2-CG2 4.14Å; I504-C516 CarbonylContact O-C 3.59Å; I504-C516 VanDerWaalsContact O-CA 3.29Å; I504-C516 WeakPolarHBondContact O-CA 3.29Å; I504-Y517 HydrophobicContact CB-CD1 4.42Å; I504-Y517 HydrophobicContact CD1-CD1 4.08Å; I504-Y517 PolarHBondContact N-O 2.77Å; I504-Y517 PolarHBondContact O-N 2.85Å; I504-P519 HydrophobicContact CD1-CG 4.15Å; I504-P519 HydrophobicContact CG1-CG 4.25Å
505	Y	97.8	Very high	95.7	Very high	13 Å²	13	25.8 Å²	25.8	5%	0.051	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.6	176.9	-64.3	-96.2	0	0	0	110	A497 V498 L500 L503 Y515 C516 V527 M539 I546 Y565	A497-Y505 CarbonylContact C-O 3.53Å; A497-Y505 WeakPolarHBondContact CA-O 3.42Å; V498-Y505 PolarHBondContact N-O 3.48Å; V498-Y505 PolarHBondContact O-N 3.47Å; L500-Y505 HydrophobicContact CB-CD2 4.28Å; L500-Y505 HydrophobicContact CB-CE2 4Å; L503-Y505 HydrophobicContact CB-CE2 3.89Å; Y505-Y515 CarbonylContact C-O 3.57Å; Y505-Y515 VanDerWaalsContact CA-O 3.31Å; Y505-Y515 WeakPolarHBondContact CA-O 3.2Å; Y505-C516 HydrophobicContact CD1-CB 3.99Å; Y505-C516 HydrophobicContact CE1-CB 3.89Å; Y505-V527 HydrophobicContact CD1-CG2 4.31Å; Y505-V527 HydrophobicContact CE1-CG2 4.4Å; Y505-M539 VanDerWaalsContact O-CE 3.24Å; Y505-M539 WeakPolarHBondContact O-CE 3.14Å; Y505-I546 HydrophobicContact CD1-CD1 3.66Å; Y505-I546 HydrophobicContact CD2-CD1 3.41Å; Y505-I546 VanDerWaalsContact CD2-CD1 3.41Å; Y505-I546 HydrophobicContact CE1-CD1 4.11Å; Y505-I546 HydrophobicContact CE2-CD1 3.88Å; Y505-I546 HydrophobicContact CG-CD1 3.28Å; Y505-Y565 HydrophobicContact CD1-CE1 4.2Å; Y505-Y565 AromaticContact CE1-CE1 3.9Å; Y505-Y565 HydrophobicContact CE1-CE1 3.9Å
506	V	97.9	Very high	95.8	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.5	-178	-176.8	0	0	0	0	110.5	I459 I488 I495 T496 A497 I504 I514 Y515 W524	I459-V506 HydrophobicContact CD1-CG2 3.88Å; I459-V506 HydrophobicContact CG2-CG2 4.41Å; I488-V506 HydrophobicContact CD1-CB 4.36Å; I488-V506 HydrophobicContact CD1-CG1 3.85Å; I495-V506 HydrophobicContact CB-CG1 4.18Å; I495-V506 HydrophobicContact CD1-CG1 3.95Å; T496-V506 WeakPolarHBondContact O-CA 3.32Å; A497-V506 HydrophobicContact CB-CG2 4.09Å; I504-V506 HydrophobicContact CG2-CG2 4.14Å; V506-I514 WeakPolarHBondContact O-CA 3.48Å; V506-Y515 PolarHBondContact N-O 3.46Å; V506-Y515 PolarHBondContact O-N 3.15Å; V506-W524 HydrophobicContact CB-CZ3 4.3Å; V506-W524 HydrophobicContact CG2-CH2 3.74Å; V506-W524 HydrophobicContact CG2-CZ3 3.85Å
507	A	96.9	Very high	95.9	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.7	176.1	0	0	0	0	0	111.4	I495 T496 I514 M539 I548	I495-A507 WeakPolarHBondContact CA-O 3.24Å; T496-A507 WeakPolarHBondContact CG2-O 3.32Å; T496-A507 PolarHBondContact N-O 3.29Å; T496-A507 PolarHBondContact O-N 3.12Å; T496-A507 VanDerWaalsContact O-N 3.09Å; A507-I514 HydrophobicContact CB-CG1 4.27Å; A507-M539 HydrophobicContact CB-SD 4.01Å; A507-I548 HydrophobicContact CB-CD1 3.8Å
508	G	95.1	Very high	95.9	Very high	5 Å²	5	25.6 Å²	25.6	5%	0.052	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99	-151	175.8	0	0	0	0	0	113.8	L510 T511 Q534	G508-L510 VanDerWaalsContact C-N 3.29Å; G508-L510 PolarHBondContact O-N 3.17Å; G508-T511 PolarHBondContact O-N 2.82Å; G508-T511 VanDerWaalsContact O-N 3.1Å; G508-T511 PolarHBondContact O-OG1 3.11Å; G508-Q534 CarbonylContact C-O 3.47Å; G508-Q534 VanDerWaalsContact C-O 3.27Å; G508-Q534 VanDerWaalsContact CA-O 3.3Å; G508-Q534 WeakPolarHBondContact CA-O 3.39Å
509	G	93.9	Very high	95.9	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	31.9	179.9	0	0	0	0	0	115	K492 R493 C494 T511 Q534	K492-G509 WeakPolarHBondContact CD-O 3.29Å; R493-G509 WeakPolarHBondContact O-CA 3.46Å; C494-G509 PolarHBondContact O-N 3.43Å; G509-T511 PolarHBondContact O-N 3.36Å; G509-Q534 PolarHBondContact N-O 3Å
510	L	94.5	Very high	95.9	Very high	45 Å²	45	28.7 Å²	28.7	24%	0.236	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	27.6	-174.6	-61.1	173.1	0	0	0	113.6	G508 R533 Q534 E535 E554	G508-L510 VanDerWaalsContact C-N 3.29Å; G508-L510 PolarHBondContact O-N 3.17Å; L510-R533 WeakPolarHBondContact O-CD 3.27Å; L510-R533 WeakPolarHBondContact O-CG 3.36Å; L510-R533 PolarHBondContact O-NH1 2.95Å; L510-Q534 PolarHBondContact N-O 2.89Å; L510-E535 HydrophobicContact CD2-CB 4.28Å; L510-E535 HydrophobicContact CD2-CG 3.91Å; L510-E535 HydrophobicContact CG-CB 4.05Å; L510-E535 HydrophobicContact CG-CG 3.92Å; L510-E554 HydrophobicContact CD2-CB 4.45Å
511	T	94.4	Very high	96.1	Very high	14 Å²	14	35 Å²	35	9%	0.086	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	157	169.6	72.4	0	0	0	0	110.1	K492 G508 G509	K492-T511 HydrophobicContact CD-CG2 4.25Å; K492-T511 HydrophobicContact CG-CG2 3.87Å; G508-T511 PolarHBondContact O-N 2.82Å; G508-T511 VanDerWaalsContact O-N 3.1Å; G508-T511 PolarHBondContact O-OG1 3.11Å; G509-T511 PolarHBondContact O-N 3.36Å
512	K	95.5	Very high	96.4	Very high	84 Å²	84	32.6 Å²	32.6	37%	0.365	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-23	167.2	-65.7	-168.4	177.3	-161.7	0	111.9	N529 T530 F531 R533	K512-N529 HydrophobicContact CB-CB 4.3Å; K512-N529 CarbonylContact O-C 3.54Å; K512-N529 VanDerWaalsContact O-CA 3.24Å; K512-N529 WeakPolarHBondContact O-CA 3.39Å; K512-T530 WeakPolarHBondContact CA-OG1 3.48Å; K512-T530 PolarHBondContact O-N 3.22Å; K512-T530 PolarHBondContact O-OG1 3.07Å; K512-F531 PolarHBondContact NZ-O 2.81Å; K512-R533 HydrophobicContact CG-CG 3.72Å
513	A	96.5	Very high	96.7	Very high	10 Å²	10	32.1 Å²	32.1	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.5	-173.1	0	0	0	0	0	111.7	Y515 N529	A513-Y515 HydrophobicContact CB-CD2 4.02Å; A513-Y515 HydrophobicContact CB-CE2 3.45Å; A513-Y515 VanDerWaalsContact CB-CE2 3.45Å; A513-N529 WeakPolarHBondContact CA-OD1 3.32Å
514	I	97.3	Very high	96.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.5	160.7	-54.9	179.7	0	0	0	105.9	V506 A507 V527 Q528 T530 I548 Y565 I572	V506-I514 WeakPolarHBondContact O-CA 3.48Å; A507-I514 HydrophobicContact CB-CG1 4.27Å; I514-V527 HydrophobicContact CB-CG2 3.91Å; I514-V527 HydrophobicContact CG2-CG2 3.6Å; I514-V527 VanDerWaalsContact O-CG2 3.32Å; I514-V527 WeakPolarHBondContact O-CG2 3.34Å; I514-V527 PolarHBondContact O-N 2.88Å; I514-Q528 HydrophobicContact CD1-CB 4.45Å; I514-Q528 PolarHBondContact N-O 2.91Å; I514-T530 HydrophobicContact CD1-CG2 4.08Å; I514-T530 HydrophobicContact CG1-CG2 4.06Å; I514-I548 HydrophobicContact CD1-CD1 4.03Å; I514-Y565 HydrophobicContact CD1-CG 4.43Å; I514-I572 HydrophobicContact CD1-CD1 3.94Å
515	Y	97.7	Very high	96.7	Very high	34 Å²	34	34.9 Å²	34.9	13%	0.133	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	146.5	175.3	-71.4	-73.9	0	0	0	110.2	P489 I490 Y505 V506 A513 M525 H526	P489-Y515 HydrophobicContact CB-CD1 4.48Å; P489-Y515 HydrophobicContact CB-CE1 3.9Å; P489-Y515 HydrophobicContact CG-CD1 4.01Å; P489-Y515 HydrophobicContact CG-CE1 3.88Å; I490-Y515 HydrophobicContact CD1-CE2 3.99Å; I490-Y515 WeakPolarHBondContact CD1-OH 3.39Å; I490-Y515 HydrophobicContact CG1-CE2 4.13Å; I490-Y515 WeakPolarHBondContact CG1-OH 3.33Å; Y505-Y515 CarbonylContact C-O 3.57Å; Y505-Y515 VanDerWaalsContact CA-O 3.31Å; Y505-Y515 WeakPolarHBondContact CA-O 3.2Å; V506-Y515 PolarHBondContact N-O 3.46Å; V506-Y515 PolarHBondContact O-N 3.15Å; A513-Y515 HydrophobicContact CB-CD2 4.02Å; A513-Y515 HydrophobicContact CB-CE2 3.45Å; A513-Y515 VanDerWaalsContact CB-CE2 3.45Å; Y515-M525 CarbonylContact C-O 3.52Å; Y515-M525 VanDerWaalsContact CA-O 3.31Å; Y515-M525 WeakPolarHBondContact CA-O 3.26Å; Y515-H526 HydrophobicContact CD1-CB 4.28Å; Y515-H526 HydrophobicContact CE1-CB 4.05Å
516	C	97.8	Very high	96.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.1	172.4	-178.7	0	0	0	0	108.6	I504 Y505 W524 M525 V527	I504-C516 CarbonylContact O-C 3.59Å; I504-C516 VanDerWaalsContact O-CA 3.29Å; I504-C516 WeakPolarHBondContact O-CA 3.29Å; Y505-C516 HydrophobicContact CD1-CB 3.99Å; Y505-C516 HydrophobicContact CE1-CB 3.89Å; C516-W524 CarbonylContact O-C 3.54Å; C516-W524 WeakPolarHBondContact O-CA 3.48Å; C516-M525 HydrophobicContact CB-CB 4.47Å; C516-M525 HydrophobicContact CB-CE 4.35Å; C516-M525 PolarHBondContact N-O 2.82Å; C516-M525 PolarHBondContact O-N 3.12Å; C516-V527 HydrophobicContact CB-CG1 3.43Å; C516-V527 VanDerWaalsContact CB-CG1 3.43Å; C516-V527 HydrophobicContact CB-CG2 4.43Å
517	Y	98.4	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.5	175.9	174.6	-109.6	0	0	0	109.5	F457 R485 A486 I504 P519 D522 Y523 W524	F457-Y517 HydrophobicContact CD1-CE1 4.06Å; F457-Y517 AromaticContact CE1-CE1 3.73Å; F457-Y517 HydrophobicContact CE1-CE1 3.73Å; R485-Y517 WeakPolarHBondContact CB-OH 3.37Å; R485-Y517 PolarHBondContact NE-OH 3.41Å; A486-Y517 HydrophobicContact CB-CE2 4.31Å; I504-Y517 HydrophobicContact CB-CD1 4.42Å; I504-Y517 HydrophobicContact CD1-CD1 4.08Å; I504-Y517 PolarHBondContact N-O 2.77Å; I504-Y517 PolarHBondContact O-N 2.85Å; Y517-P519 HydrophobicContact CD1-CG 4.07Å; Y517-P519 HydrophobicContact CE1-CB 4.08Å; Y517-P519 HydrophobicContact CE1-CG 4.03Å; Y517-P519 WeakPolarHBondContact O-CD 3.47Å; Y517-D522 WeakPolarHBondContact CE2-OD1 3.46Å; Y517-D522 PolarHBondContact OH-OD1 3.24Å; Y517-Y523 WeakPolarHBondContact CA-O 3.35Å; Y517-Y523 VanDerWaalsContact CD2-O 3.3Å; Y517-Y523 WeakPolarHBondContact CD2-O 3.39Å; Y517-W524 AromaticContact CD2-CD1 3.69Å; Y517-W524 AromaticContact CD2-CD2 3.79Å; Y517-W524 HydrophobicContact CD2-CD2 3.79Å; Y517-W524 AromaticContact CD2-CE2 3.43Å; Y517-W524 VanDerWaalsContact CD2-CE2 3.43Å; Y517-W524 AromaticContact CD2-CG 3.95Å; Y517-W524 HydrophobicContact CD2-CG 3.95Å; Y517-W524 AromaticContact CD2-CZ2 3.91Å; Y517-W524 HydrophobicContact CD2-CZ2 3.91Å; Y517-W524 AromaticContact CD2-NE1 3.35Å; Y517-W524 VanDerWaalsContact CD2-NE1 3.35Å; Y517-W524 AromaticContact CE2-NE1 3.81Å; Y517-W524 HydrophobicContact CG-CD2 4.15Å; Y517-W524 AromaticContact CG-CE2 3.8Å; Y517-W524 HydrophobicContact CG-CE3 4.48Å; Y517-W524 HydrophobicContact CG-CH2 4.22Å; Y517-W524 AromaticContact CG-CZ2 3.83Å; Y517-W524 HydrophobicContact CG-CZ2 3.83Å
518	D	97.7	Very high	96.7	Very high	27 Å²	27	43 Å²	43	14%	0.144	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.8	170.7	-170.9	-31.8	0	0	0	109.4	L503 V520 E521 D522 Y523	L503-D518 HydrophobicContact CD2-CB 3.76Å; D518-V520 VanDerWaalsContact C-N 3.26Å; D518-V520 PolarHBondContact O-N 2.86Å; D518-V520 WeakPolarHBondContact OD1-CA 3.43Å; D518-V520 WeakPolarHBondContact OD1-CB 3.16Å; D518-V520 PolarHBondContact OD1-N 3.3Å; D518-E521 HydrophobicContact CB-CB 4.27Å; D518-E521 PolarHBondContact OD1-N 3.36Å; D518-D522 VanDerWaalsContact O-CA 3.27Å; D518-D522 WeakPolarHBondContact O-CA 3.47Å; D518-D522 PolarHBondContact O-N 3.49Å; D518-Y523 HydrophobicContact CB-CD1 3.61Å; D518-Y523 HydrophobicContact CB-CE1 3.33Å; D518-Y523 PolarHBondContact N-O 3.34Å; D518-Y523 PolarHBondContact O-N 3.29Å
519	P	96.9	Very high	96.7	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.071	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.9	178.1	-22.8	35.8	0	0	0	115	C452 V453 F457 R485 N502 I504 Y517	C452-P519 HydrophobicContact CB-CG 4.19Å; V453-P519 HydrophobicContact CG2-CB 4.44Å; V453-P519 HydrophobicContact CG2-CG 4.42Å; F457-P519 HydrophobicContact CE1-CB 4.33Å; F457-P519 HydrophobicContact CE2-CB 4.33Å; F457-P519 HydrophobicContact CE2-CG 4.44Å; F457-P519 HydrophobicContact CZ-CB 3.73Å; F457-P519 HydrophobicContact CZ-CG 4.2Å; R485-P519 PolarHBondContact NH2-O 2.97Å; N502-P519 VanDerWaalsContact O-CD 3.24Å; N502-P519 WeakPolarHBondContact O-CD 3.49Å; I504-P519 HydrophobicContact CD1-CG 4.15Å; I504-P519 HydrophobicContact CG1-CG 4.25Å; Y517-P519 HydrophobicContact CD1-CG 4.07Å; Y517-P519 HydrophobicContact CE1-CB 4.08Å; Y517-P519 HydrophobicContact CE1-CG 4.03Å; Y517-P519 WeakPolarHBondContact O-CD 3.47Å
520	V	95.7	Very high	96.8	Very high	100 Å²	100	46.6 Å²	46.6	61%	0.606	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-54.4	-178.3	178.9	0	0	0	0	109.5	D518 D522	D518-V520 VanDerWaalsContact C-N 3.26Å; D518-V520 PolarHBondContact O-N 2.86Å; D518-V520 WeakPolarHBondContact OD1-CA 3.43Å; D518-V520 WeakPolarHBondContact OD1-CB 3.16Å; D518-V520 PolarHBondContact OD1-N 3.3Å; V520-D522 VanDerWaalsContact C-N 3.3Å; V520-D522 PolarHBondContact O-N 2.92Å
521	E	96.9	Very high	96.7	Very high	135 Å²	135	49.9 Å²	49.9	63%	0.631	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9	-178.5	-65.6	-58.7	136.3	0	0	113	D518 Y523	D518-E521 HydrophobicContact CB-CB 4.27Å; D518-E521 PolarHBondContact OD1-N 3.36Å; E521-Y523 HydrophobicContact CB-CD1 3.35Å; E521-Y523 HydrophobicContact CB-CE1 3.6Å; E521-Y523 HydrophobicContact CG-CD1 4.38Å; E521-Y523 HydrophobicContact CG-CE1 4.17Å; E521-Y523 PolarHBondContact O-N 3.11Å
522	D	97.6	Very high	96.6	Very high	50 Å²	50	50.4 Å²	50.4	27%	0.267	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	45.7	179.8	-157.5	10.5	0	0	0	113.6	R485 A486 Y517 D518 V520	R485-D522 IonicContact CZ-OD1 2.83Å; R485-D522 IonicContact CZ-OD2 2.8Å; R485-D522 VanDerWaalsContact CZ-OD2 3.26Å; R485-D522 IonicContact NE-OD1 3.69Å; R485-D522 PolarHBondContact NE-OD1 2.76Å; R485-D522 IonicContact NE-OD2 3.43Å; R485-D522 IonicContact NH1-OD2 2.81Å; R485-D522 PolarHBondContact NH1-OD2 2.81Å; R485-D522 IonicContact NH2-OD1 3.84Å; R485-D522 IonicContact NH2-OD2 2.62Å; A486-D522 WeakPolarHBondContact CB-O 3.41Å; A486-D522 VanDerWaalsContact CB-OD1 3.31Å; A486-D522 WeakPolarHBondContact CB-OD1 3.32Å; A486-D522 PolarHBondContact N-OD1 3.08Å; Y517-D522 WeakPolarHBondContact CE2-OD1 3.46Å; Y517-D522 PolarHBondContact OH-OD1 3.24Å; D518-D522 VanDerWaalsContact O-CA 3.27Å; D518-D522 WeakPolarHBondContact O-CA 3.47Å; D518-D522 PolarHBondContact O-N 3.49Å; V520-D522 VanDerWaalsContact C-N 3.3Å; V520-D522 PolarHBondContact O-N 2.92Å
523	Y	97.5	Very high	96.5	Very high	99 Å²	99	51.9 Å²	51.9	39%	0.388	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.8	-178.4	84.8	-75.1	0	0	0	113.5	Y517 D518 E521 M525	Y517-Y523 WeakPolarHBondContact CA-O 3.35Å; Y517-Y523 VanDerWaalsContact CD2-O 3.3Å; Y517-Y523 WeakPolarHBondContact CD2-O 3.39Å; D518-Y523 HydrophobicContact CB-CD1 3.61Å; D518-Y523 HydrophobicContact CB-CE1 3.33Å; D518-Y523 PolarHBondContact N-O 3.34Å; D518-Y523 PolarHBondContact O-N 3.29Å; E521-Y523 HydrophobicContact CB-CD1 3.35Å; E521-Y523 HydrophobicContact CB-CE1 3.6Å; E521-Y523 HydrophobicContact CG-CD1 4.38Å; E521-Y523 HydrophobicContact CG-CE1 4.17Å; E521-Y523 PolarHBondContact O-N 3.11Å; Y523-M525 HydrophobicContact CD2-CG 3.82Å; Y523-M525 HydrophobicContact CE2-CE 3.88Å; Y523-M525 HydrophobicContact CE2-CG 3.18Å; Y523-M525 HydrophobicContact CE2-SD 3.42Å; Y523-M525 WeakPolarHBondContact CE2-SD 3.44Å; Y523-M525 WeakPolarHBondContact OH-CE 3.43Å; Y523-M525 PolarHBondContact OH-SD 2.96Å
524	W	98.3	Very high	96.4	Very high	35 Å²	35	51.6 Å²	51.6	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.4	-179.9	-72.5	92.5	0	0	0	111.6	I459 V472 A486 A487 I488 P489 V506 C516 Y517	I459-W524 HydrophobicContact CD1-CH2 4.17Å; I459-W524 HydrophobicContact CG2-CH2 4.1Å; I459-W524 HydrophobicContact CG2-CZ2 4.32Å; V472-W524 HydrophobicContact CG2-CZ2 3.73Å; A486-W524 PolarHBondContact O-NE1 2.9Å; A487-W524 PolarHBondContact O-NE1 3.12Å; I488-W524 HydrophobicContact CB-CH2 4.22Å; I488-W524 HydrophobicContact CB-CZ2 3.88Å; I488-W524 HydrophobicContact CD1-CH2 4.06Å; I488-W524 HydrophobicContact CD1-CZ3 4.25Å; I488-W524 HydrophobicContact CG1-CD2 4.49Å; I488-W524 HydrophobicContact CG1-CE3 4.36Å; I488-W524 HydrophobicContact CG1-CH2 3.97Å; I488-W524 HydrophobicContact CG1-CZ2 4.11Å; I488-W524 HydrophobicContact CG1-CZ3 4.09Å; P489-W524 HydrophobicContact CG-CB 3.76Å; P489-W524 HydrophobicContact CG-CG 4.13Å; V506-W524 HydrophobicContact CB-CZ3 4.3Å; V506-W524 HydrophobicContact CG2-CH2 3.74Å; V506-W524 HydrophobicContact CG2-CZ3 3.85Å; C516-W524 CarbonylContact O-C 3.54Å; C516-W524 WeakPolarHBondContact O-CA 3.48Å; Y517-W524 AromaticContact CD2-CD1 3.69Å; Y517-W524 AromaticContact CD2-CD2 3.79Å; Y517-W524 HydrophobicContact CD2-CD2 3.79Å; Y517-W524 AromaticContact CD2-CE2 3.43Å; Y517-W524 VanDerWaalsContact CD2-CE2 3.43Å; Y517-W524 AromaticContact CD2-CG 3.95Å; Y517-W524 HydrophobicContact CD2-CG 3.95Å; Y517-W524 AromaticContact CD2-CZ2 3.91Å; Y517-W524 HydrophobicContact CD2-CZ2 3.91Å; Y517-W524 AromaticContact CD2-NE1 3.35Å; Y517-W524 VanDerWaalsContact CD2-NE1 3.35Å; Y517-W524 AromaticContact CE2-NE1 3.81Å; Y517-W524 HydrophobicContact CG-CD2 4.15Å; Y517-W524 AromaticContact CG-CE2 3.8Å; Y517-W524 HydrophobicContact CG-CE3 4.48Å; Y517-W524 HydrophobicContact CG-CH2 4.22Å; Y517-W524 AromaticContact CG-CZ2 3.83Å; Y517-W524 HydrophobicContact CG-CZ2 3.83Å
525	M	97.1	Very high	96.2	Very high	60 Å²	60	52.5 Å²	52.5	30%	0.296	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.8	173.2	-63.3	178.4	-77.2	0	0	110.1	Y515 C516 Y523 V527	Y515-M525 CarbonylContact C-O 3.52Å; Y515-M525 VanDerWaalsContact CA-O 3.31Å; Y515-M525 WeakPolarHBondContact CA-O 3.26Å; C516-M525 HydrophobicContact CB-CB 4.47Å; C516-M525 HydrophobicContact CB-CE 4.35Å; C516-M525 PolarHBondContact N-O 2.82Å; C516-M525 PolarHBondContact O-N 3.12Å; Y523-M525 HydrophobicContact CD2-CG 3.82Å; Y523-M525 HydrophobicContact CE2-CE 3.88Å; Y523-M525 HydrophobicContact CE2-CG 3.18Å; Y523-M525 HydrophobicContact CE2-SD 3.42Å; Y523-M525 WeakPolarHBondContact CE2-SD 3.44Å; Y523-M525 WeakPolarHBondContact OH-CE 3.43Å; Y523-M525 PolarHBondContact OH-SD 2.96Å; M525-V527 HydrophobicContact CB-CG1 4.36Å
526	H	97.2	Very high	96	Very high	97 Å²	97	52 Å²	52	45%	0.449	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.3	159.8	176	-91	0	0	0	108.3	Y515 Q528 N529	Y515-H526 HydrophobicContact CD1-CB 4.28Å; Y515-H526 HydrophobicContact CE1-CB 4.05Å; H526-Q528 PolarHBondContact NE2-O 3.13Å; H526-Q528 VanDerWaalsContact NE2-O 3.12Å; H526-N529 PolarHBondContact NE2-OD1 3.12Å
527	V	96.8	Very high	95.9	Very high	34 Å²	34	52.3 Å²	52.3	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-35.5	-176.8	-64.2	0	0	0	0	113.6	Y505 I514 C516 M525 Y565	Y505-V527 HydrophobicContact CD1-CG2 4.31Å; Y505-V527 HydrophobicContact CE1-CG2 4.4Å; I514-V527 HydrophobicContact CB-CG2 3.91Å; I514-V527 HydrophobicContact CG2-CG2 3.6Å; I514-V527 VanDerWaalsContact O-CG2 3.32Å; I514-V527 WeakPolarHBondContact O-CG2 3.34Å; I514-V527 PolarHBondContact O-N 2.88Å; C516-V527 HydrophobicContact CB-CG1 3.43Å; C516-V527 VanDerWaalsContact CB-CG1 3.43Å; C516-V527 HydrophobicContact CB-CG2 4.43Å; M525-V527 HydrophobicContact CB-CG1 4.36Å; V527-Y565 HydrophobicContact CG2-CE1 4.12Å
528	Q	97	Very high	95.7	Very high	59 Å²	59	52.5 Å²	52.5	28%	0.276	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	170.6	-179.7	-165	44.9	-84.1	0	0	111.4	I514 H526 Y565 S570 I572	I514-Q528 HydrophobicContact CD1-CB 4.45Å; I514-Q528 PolarHBondContact N-O 2.91Å; H526-Q528 PolarHBondContact NE2-O 3.13Å; H526-Q528 VanDerWaalsContact NE2-O 3.12Å; Q528-Y565 HydrophobicContact CB-CD2 4.18Å; Q528-Y565 HydrophobicContact CB-CE2 3.89Å; Q528-Y565 HydrophobicContact CG-CD2 4.33Å; Q528-Y565 HydrophobicContact CG-CE2 4.32Å; Q528-S570 PolarHBondContact NE2-O 2.84Å; Q528-S570 VanDerWaalsContact NE2-O 3.11Å; Q528-I572 HydrophobicContact CG-CB 3.95Å; Q528-I572 HydrophobicContact CG-CG2 3.66Å
529	N	96.7	Very high	95.7	Very high	72 Å²	72	51.7 Å²	51.7	39%	0.385	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.3	168.2	-67.9	-49.3	0	0	0	112	K512 A513 H526	K512-N529 HydrophobicContact CB-CB 4.3Å; K512-N529 CarbonylContact O-C 3.54Å; K512-N529 VanDerWaalsContact O-CA 3.24Å; K512-N529 WeakPolarHBondContact O-CA 3.39Å; A513-N529 WeakPolarHBondContact CA-OD1 3.32Å; H526-N529 PolarHBondContact NE2-OD1 3.12Å
530	T	95.1	Very high	95.6	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	159.5	164.6	66.2	0	0	0	0	110.9	K512 I514 S532 I548 L563 I572	K512-T530 WeakPolarHBondContact CA-OG1 3.48Å; K512-T530 PolarHBondContact O-N 3.22Å; K512-T530 PolarHBondContact O-OG1 3.07Å; I514-T530 HydrophobicContact CD1-CG2 4.08Å; I514-T530 HydrophobicContact CG1-CG2 4.06Å; T530-S532 VanDerWaalsContact C-N 3.3Å; T530-S532 PolarHBondContact O-N 3.26Å; T530-S532 PolarHBondContact OG1-O 3.41Å; T530-I548 HydrophobicContact CG2-CD1 4.06Å; T530-L563 HydrophobicContact CG2-CD1 3.85Å; T530-I572 HydrophobicContact CG2-CD1 4.23Å
531	F	93.1	Very high	95.6	Very high	115 Å²	115	47.6 Å²	47.6	50%	0.504	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-31.2	179.5	-53.2	-54.1	0	0	0	112.6	K512 L563 I572	K512-F531 PolarHBondContact NZ-O 2.81Å; F531-L563 HydrophobicContact CD2-CD2 3.51Å; F531-L563 HydrophobicContact CE2-CD2 3.7Å; F531-I572 HydrophobicContact CE1-CG2 4.22Å; F531-I572 HydrophobicContact CZ-CG2 4.07Å
532	S	91.8	Very high	95.4	Very high	24 Å²	24	41.2 Å²	41.2	17%	0.168	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.6	-177.6	53.4	0	0	0	0	113.5	T530 R553	T530-S532 VanDerWaalsContact C-N 3.3Å; T530-S532 PolarHBondContact O-N 3.26Å; T530-S532 PolarHBondContact OG1-O 3.41Å; S532-R553 PolarHBondContact OG-NH1 3.07Å
533	R	94	Very high	95	Very high	115 Å²	115	40.9 Å²	40.9	43%	0.434	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.6	172.8	-63.9	176.2	-174.9	-81.4	-0.9	109.4	L510 K512	L510-R533 WeakPolarHBondContact O-CD 3.27Å; L510-R533 WeakPolarHBondContact O-CG 3.36Å; L510-R533 PolarHBondContact O-NH1 2.95Å; K512-R533 HydrophobicContact CG-CG 3.72Å
534	Q	92.9	Very high	94.6	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.4	174.2	67.3	-167.6	28.5	0	0	111.8	G508 G509 L510 C537 G550 R552	G508-Q534 CarbonylContact C-O 3.47Å; G508-Q534 VanDerWaalsContact C-O 3.27Å; G508-Q534 VanDerWaalsContact CA-O 3.3Å; G508-Q534 WeakPolarHBondContact CA-O 3.39Å; G509-Q534 PolarHBondContact N-O 3Å; L510-Q534 PolarHBondContact N-O 2.89Å; Q534-C537 HydrophobicContact CG-CB 4.25Å; Q534-G550 PolarHBondContact NE2-O 3.31Å; Q534-G550 VanDerWaalsContact NE2-O 3.11Å; Q534-G550 PolarHBondContact OE1-O 3.16Å; Q534-R552 CarbonylContact C-O 3.59Å; Q534-R552 WeakPolarHBondContact CA-O 3.18Å
535	E	93.9	Very high	94.5	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.093	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	167.4	172.7	61.9	176.1	156.9	0	0	110.8	C494 L510 C537 G551 R552	C494-E535 HydrophobicContact CB-CB 3.92Å; C494-E535 WeakPolarHBondContact CB-OE2 3.42Å; L510-E535 HydrophobicContact CD2-CB 4.28Å; L510-E535 HydrophobicContact CD2-CG 3.91Å; L510-E535 HydrophobicContact CG-CB 4.05Å; L510-E535 HydrophobicContact CG-CG 3.92Å; E535-C537 PolarHBondContact O-N 2.88Å; E535-C537 VanDerWaalsContact O-N 3.12Å; E535-G551 CarbonylContact O-C 3.5Å; E535-G551 VanDerWaalsContact O-CA 3.32Å; E535-G551 WeakPolarHBondContact O-CA 3.47Å; E535-R552 HydrophobicContact CG-CB 4.31Å; E535-R552 PolarHBondContact N-O 2.85Å; E535-R552 PolarHBondContact O-N 2.86Å; E535-R552 IonicContact OE1-CZ 2.59Å; E535-R552 VanDerWaalsContact OE1-CZ 3.26Å; E535-R552 IonicContact OE1-NE 3.32Å; E535-R552 PolarHBondContact OE1-NE 3.5Å; E535-R552 VanDerWaalsContact OE1-NE 3.16Å; E535-R552 IonicContact OE1-NH2 2.75Å; E535-R552 PolarHBondContact OE1-NH2 2.73Å; E535-R552 IonicContact OE2-NH2 2.74Å
536	N	93.7	Very high	94.5	Very high	23 Å²	23	35.6 Å²	35.6	12%	0.123	18%	0.176	C	C	.	.	S	Bend	trans	53.7	31.4	-178.5	-53.6	-58.1	0	0	0	113.3	C494 Y584	C494-N536 WeakPolarHBondContact CB-OD1 3.31Å; C494-N536 PolarHBondContact O-N 2.85Å; N536-Y584 HydrophobicContact CB-CD1 3.9Å; N536-Y584 HydrophobicContact CB-CD2 4.41Å; N536-Y584 HydrophobicContact CB-CE1 4Å; N536-Y584 HydrophobicContact CB-CE2 4.48Å; N536-Y584 HydrophobicContact CB-CG 4.13Å; N536-Y584 WeakPolarHBondContact ND2-CE1 3.46Å; N536-Y584 VanDerWaalsContact ND2-CZ 3.3Å; N536-Y584 PolarHBondContact ND2-OH 2.96Å; N536-Y584 PolarHBondContact O-N 3.09Å; N536-Y584 VanDerWaalsContact O-N 3.08Å; N536-Y584 WeakPolarHBondContact OD1-CE1 3.26Å
537	C	95	Very high	94.5	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.054	16%	0.157	C	C	.	.			trans	-84	155.1	172.9	58.3	0	0	0	0	110.8	Q534 E535 I548 L549 G550	Q534-C537 HydrophobicContact CG-CB 4.25Å; E535-C537 PolarHBondContact O-N 2.88Å; E535-C537 VanDerWaalsContact O-N 3.12Å; C537-I548 HydrophobicContact CB-CG2 4.09Å; C537-L549 WeakPolarHBondContact CA-O 3.18Å; C537-L549 WeakPolarHBondContact CB-O 3.32Å; C537-G550 VanDerWaalsContact CB-O 3.26Å; C537-G550 WeakPolarHBondContact CB-O 3.02Å
538	G	95.5	Very high	94.5	Very high	4 Å²	4	30.1 Å²	30.1	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	146.7	166.7	0	0	0	0	0	110.8	I548 L549 H585	G538-I548 CarbonylContact O-C 3.6Å; G538-I548 WeakPolarHBondContact O-CA 3.47Å; G538-L549 PolarHBondContact N-O 3.25Å; G538-L549 PolarHBondContact O-N 2.94Å; G538-H585 WeakPolarHBondContact CA-NE2 3.41Å; G538-H585 PolarHBondContact N-NE2 3.37Å; G538-H585 VanDerWaalsContact N-NE2 3.17Å
539	M	96.7	Very high	94.4	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.049	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	133.2	168.9	-169.2	166.3	70.1	0	0	109.6	T496 V498 Y505 A507 I546 Y547 I548	T496-M539 VanDerWaalsContact C-CE 3.43Å; T496-M539 HydrophobicContact CG2-CB 3.5Å; T496-M539 HydrophobicContact CG2-CE 3.81Å; T496-M539 HydrophobicContact CG2-CG 4.35Å; T496-M539 HydrophobicContact CG2-SD 3.97Å; T496-M539 WeakPolarHBondContact O-CE 3.2Å; V498-M539 HydrophobicContact CB-CE 4.24Å; V498-M539 HydrophobicContact CG1-CB 4.08Å; V498-M539 HydrophobicContact CG1-CE 3.9Å; V498-M539 HydrophobicContact CG1-CG 3.74Å; V498-M539 WeakPolarHBondContact CG1-O 3.47Å; V498-M539 HydrophobicContact CG2-CE 3.92Å; V498-M539 HydrophobicContact CG2-CG 4.22Å; V498-M539 HydrophobicContact CG2-SD 4.39Å; Y505-M539 VanDerWaalsContact O-CE 3.24Å; Y505-M539 WeakPolarHBondContact O-CE 3.14Å; A507-M539 HydrophobicContact CB-SD 4.01Å; M539-I546 HydrophobicContact CG-CG2 3.76Å; M539-I546 HydrophobicContact SD-CG2 3.85Å; M539-Y547 WeakPolarHBondContact CA-O 3.38Å; M539-Y547 WeakPolarHBondContact CG-O 3.43Å; M539-I548 HydrophobicContact CG-CG1 4.07Å; M539-I548 HydrophobicContact SD-CD1 4.32Å; M539-I548 HydrophobicContact SD-CG1 3.97Å
540	S	95.7	Very high	94.3	Very high	13 Å²	13	23.9 Å²	23.9	9%	0.091	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.2	179.1	-159.4	0	0	0	0	111	Y547 T589	S540-Y547 PolarHBondContact N-O 3.48Å; S540-Y547 PolarHBondContact O-N 3.09Å; S540-T589 PolarHBondContact OG-N 2.91Å; S540-T589 VanDerWaalsContact OG-N 3.08Å; S540-T589 PolarHBondContact OG-OG1 3.06Å
541	V	94.9	Very high	94.3	Very high	13 Å²	13	23.4 Å²	23.4	8%	0.079	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.1	173.9	173.2	0	0	0	0	108.6	M299 V498 L500 K545 I546 T589	M299-V541 HydrophobicContact CE-CG1 4.16Å; V498-V541 HydrophobicContact CB-CG2 3.89Å; V498-V541 HydrophobicContact CG2-CG2 3.67Å; L500-V541 HydrophobicContact CB-CG2 4.06Å; L500-V541 HydrophobicContact CD1-CG1 3.91Å; L500-V541 HydrophobicContact CD2-CG1 4.36Å; V541-K545 CarbonylContact C-O 3.52Å; V541-K545 VanDerWaalsContact CA-O 3.32Å; V541-K545 WeakPolarHBondContact CA-O 3.44Å; V541-I546 HydrophobicContact CG2-CG1 4.15Å; V541-T589 WeakPolarHBondContact O-CB 3.31Å; V541-T589 WeakPolarHBondContact O-CG2 3.43Å; V541-T589 PolarHBondContact O-OG1 3.28Å
542	C	92.5	Very high	94.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	133	178.3	-167.7	0	0	0	0	108.6	E313 I315 P337 G544 K545 Y547 T589	E313-C542 PolarHBondContact O-SG 2.83Å; E313-C542 VanDerWaalsContact O-SG 3.38Å; I315-C542 HydrophobicContact CD1-CB 3.94Å; I315-C542 HydrophobicContact CG1-CB 3.75Å; P337-C542 HydrophobicContact CG-CB 4.43Å; C542-G544 PolarHBondContact O-N 2.82Å; C542-K545 PolarHBondContact N-O 2.94Å; C542-K545 PolarHBondContact O-N 2.75Å; C542-Y547 HydrophobicContact CB-CD2 3.83Å; C542-Y547 HydrophobicContact CB-CE2 3.78Å; C542-Y547 WeakPolarHBondContact O-CE2 3.08Å; C542-T589 HydrophobicContact CB-CG2 4.27Å
543	N	89.1	Confident	94.3	Very high	44 Å²	44	22.4 Å²	22.4	24%	0.235	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	32.7	-179.6	-60.7	-42.9	0	0	0	113.4	R304 E313 K545	R304-N543 PolarHBondContact NH1-O 3.06Å; R304-N543 VanDerWaalsContact NH1-O 3.09Å; E313-N543 VanDerWaalsContact OE2-CA 3.27Å; E313-N543 WeakPolarHBondContact OE2-CA 3.05Å; E313-N543 PolarHBondContact OE2-N 2.91Å; E313-N543 PolarHBondContact OE2-OD1 2.8Å; N543-K545 VanDerWaalsContact C-N 3.28Å; N543-K545 PolarHBondContact O-N 2.84Å
544	G	90.3	Very high	94.1	Very high	12 Å²	12	24 Å²	24	12%	0.124	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	10.6	-179.4	0	0	0	0	0	116.2	R304 L500 C542	R304-G544 VanDerWaalsContact CZ-N 3.27Å; L500-G544 WeakPolarHBondContact CD2-O 3.25Å; C542-G544 PolarHBondContact O-N 2.82Å
545	K	94.9	Very high	93.8	Very high	69 Å²	69	28.8 Å²	28.8	30%	0.3	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	157.4	178	-54.1	-173.5	-170.8	-146.9	0	109.9	V541 C542 N543 Y547 C564 D566	V541-K545 CarbonylContact C-O 3.52Å; V541-K545 VanDerWaalsContact CA-O 3.32Å; V541-K545 WeakPolarHBondContact CA-O 3.44Å; C542-K545 PolarHBondContact N-O 2.94Å; C542-K545 PolarHBondContact O-N 2.75Å; N543-K545 VanDerWaalsContact C-N 3.28Å; N543-K545 PolarHBondContact O-N 2.84Å; K545-Y547 HydrophobicContact CB-CE2 3.92Å; K545-C564 VanDerWaalsContact CD-SG 3.58Å; K545-D566 HydrophobicContact CD-CB 4.08Å; K545-D566 WeakPolarHBondContact CE-OD2 3.38Å; K545-D566 HydrophobicContact CG-CB 4.29Å; K545-D566 IonicContact NZ-OD2 3.66Å; K545-D566 PolarHBondContact NZ-OD2 2.82Å
546	I	96.8	Very high	93.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.5	-179.1	-64.3	164	0	0	0	108.4	V498 L500 Y505 M539 V541 C564 Y565 P567	V498-I546 HydrophobicContact CG2-CD1 4.22Å; V498-I546 HydrophobicContact CG2-CG1 4Å; V498-I546 HydrophobicContact CG2-CG2 4Å; L500-I546 HydrophobicContact CD2-CD1 4.11Å; L500-I546 HydrophobicContact CD2-CG1 3.89Å; Y505-I546 HydrophobicContact CD1-CD1 3.66Å; Y505-I546 HydrophobicContact CD2-CD1 3.41Å; Y505-I546 VanDerWaalsContact CD2-CD1 3.41Å; Y505-I546 HydrophobicContact CE1-CD1 4.11Å; Y505-I546 HydrophobicContact CE2-CD1 3.88Å; Y505-I546 HydrophobicContact CG-CD1 3.28Å; M539-I546 HydrophobicContact CG-CG2 3.76Å; M539-I546 HydrophobicContact SD-CG2 3.85Å; V541-I546 HydrophobicContact CG2-CG1 4.15Å; I546-C564 CarbonylContact O-C 3.56Å; I546-C564 WeakPolarHBondContact O-CA 3.44Å; I546-Y565 HydrophobicContact CB-CD1 4.46Å; I546-Y565 HydrophobicContact CD1-CD1 4.06Å; I546-Y565 PolarHBondContact N-O 3.02Å; I546-Y565 PolarHBondContact O-N 3.12Å; I546-P567 HydrophobicContact CD1-CG 4.17Å
547	Y	97.3	Very high	93.1	Very high	14 Å²	14	34.1 Å²	34.1	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.5	177.6	-69.9	-101.2	0	0	0	110.3	I315 P337 M539 S540 C542 K545 I562 L563 C564 V575	I315-Y547 HydrophobicContact CD1-CD1 3.78Å; I315-Y547 HydrophobicContact CD1-CD2 3.69Å; I315-Y547 HydrophobicContact CD1-CE1 4.42Å; I315-Y547 HydrophobicContact CD1-CE2 4.34Å; I315-Y547 HydrophobicContact CD1-CG 3.38Å; P337-Y547 HydrophobicContact CB-CE1 3.94Å; P337-Y547 VanDerWaalsContact CB-OH 3.24Å; P337-Y547 WeakPolarHBondContact CB-OH 3.35Å; P337-Y547 HydrophobicContact CG-CE1 4.16Å; P337-Y547 HydrophobicContact CG-CE2 4.37Å; M539-Y547 WeakPolarHBondContact CA-O 3.38Å; M539-Y547 WeakPolarHBondContact CG-O 3.43Å; S540-Y547 PolarHBondContact N-O 3.48Å; S540-Y547 PolarHBondContact O-N 3.09Å; C542-Y547 HydrophobicContact CB-CD2 3.83Å; C542-Y547 HydrophobicContact CB-CE2 3.78Å; C542-Y547 WeakPolarHBondContact O-CE2 3.08Å; K545-Y547 HydrophobicContact CB-CE2 3.92Å; Y547-I562 HydrophobicContact CD1-CG2 4Å; Y547-L563 CarbonylContact C-O 3.54Å; Y547-L563 VanDerWaalsContact CA-O 3.24Å; Y547-L563 WeakPolarHBondContact CA-O 3.31Å; Y547-C564 HydrophobicContact CD1-CB 3.99Å; Y547-C564 HydrophobicContact CE1-CB 3.75Å; Y547-V575 HydrophobicContact CE1-CG2 4.32Å
548	I	96.9	Very high	93	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.8	174.4	-49.9	174.7	0	0	0	107.9	A507 I514 T530 C537 G538 M539 L563	A507-I548 HydrophobicContact CB-CD1 3.8Å; I514-I548 HydrophobicContact CD1-CD1 4.03Å; T530-I548 HydrophobicContact CG2-CD1 4.06Å; C537-I548 HydrophobicContact CB-CG2 4.09Å; G538-I548 CarbonylContact O-C 3.6Å; G538-I548 WeakPolarHBondContact O-CA 3.47Å; M539-I548 HydrophobicContact CG-CG1 4.07Å; M539-I548 HydrophobicContact SD-CD1 4.32Å; M539-I548 HydrophobicContact SD-CG1 3.97Å; I548-L563 HydrophobicContact CB-CB 4.34Å; I548-L563 PolarHBondContact N-O 3.38Å; I548-L563 PolarHBondContact O-N 2.9Å
549	L	96.2	Very high	92.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.1	-171.4	-69	87.6	0	0	0	111.2	I315 V317 W342 C537 G538 I562 M578 H585	I315-L549 HydrophobicContact CD1-CD1 4.33Å; I315-L549 HydrophobicContact CG2-CD1 4.14Å; I315-L549 HydrophobicContact CG2-CD2 4.15Å; V317-L549 HydrophobicContact CG2-CD2 3.91Å; W342-L549 HydrophobicContact CH2-CD2 4.19Å; C537-L549 WeakPolarHBondContact CA-O 3.18Å; C537-L549 WeakPolarHBondContact CB-O 3.32Å; G538-L549 PolarHBondContact N-O 3.25Å; G538-L549 PolarHBondContact O-N 2.94Å; L549-I562 HydrophobicContact CD2-CD1 4.28Å; L549-I562 HydrophobicContact CD2-CG1 4.16Å; L549-I562 HydrophobicContact CG-CG1 4.13Å; L549-I562 HydrophobicContact CG-CG2 4.07Å; L549-M578 HydrophobicContact CB-SD 3.92Å; L549-M578 HydrophobicContact CD2-CG 4.37Å; L549-M578 HydrophobicContact CD2-SD 4.23Å; L549-H585 PolarHBondContact O-CE1 2.93Å; L549-H585 VanDerWaalsContact O-CE1 3.24Å; L549-H585 PolarHBondContact O-NE2 2.91Å
550	G	94.9	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.			trans	55.4	-142.1	171.7	0	0	0	0	0	114.3	Q534 C537 T559 T561	Q534-G550 PolarHBondContact NE2-O 3.31Å; Q534-G550 VanDerWaalsContact NE2-O 3.11Å; Q534-G550 PolarHBondContact OE1-O 3.16Å; C537-G550 VanDerWaalsContact CB-O 3.26Å; C537-G550 WeakPolarHBondContact CB-O 3.02Å; G550-T559 WeakPolarHBondContact CA-O 3.3Å; G550-T559 WeakPolarHBondContact O-CG2 3.48Å; G550-T561 PolarHBondContact N-O 2.84Å
551	G	94.6	Very high	92.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.			trans	103	-171.5	-175.7	0	0	0	0	0	112.2	E535 A558 T559 V582	E535-G551 CarbonylContact O-C 3.5Å; E535-G551 VanDerWaalsContact O-CA 3.32Å; E535-G551 WeakPolarHBondContact O-CA 3.47Å; G551-A558 CarbonylContact O-C 3.54Å; G551-A558 VanDerWaalsContact O-CA 3.25Å; G551-A558 WeakPolarHBondContact O-CA 3.48Å; G551-T559 PolarHBondContact O-N 2.93Å; G551-V582 PolarHBondContact N-O 2.91Å
552	R	93.1	Very high	92.8	Very high	45 Å²	45	37.5 Å²	37.5	17%	0.17	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.9	-178.5	-173.7	177.6	71.3	-170.2	3.2	109.9	Q534 E535 G556 E557 Y584	Q534-R552 CarbonylContact C-O 3.59Å; Q534-R552 WeakPolarHBondContact CA-O 3.18Å; E535-R552 HydrophobicContact CG-CB 4.31Å; E535-R552 PolarHBondContact N-O 2.85Å; E535-R552 PolarHBondContact O-N 2.86Å; E535-R552 IonicContact OE1-CZ 2.59Å; E535-R552 VanDerWaalsContact OE1-CZ 3.26Å; E535-R552 IonicContact OE1-NE 3.32Å; E535-R552 PolarHBondContact OE1-NE 3.5Å; E535-R552 VanDerWaalsContact OE1-NE 3.16Å; E535-R552 IonicContact OE1-NH2 2.75Å; E535-R552 PolarHBondContact OE1-NH2 2.73Å; E535-R552 IonicContact OE2-NH2 2.74Å; R552-G556 WeakPolarHBondContact CG-O 3.28Å; R552-E557 WeakPolarHBondContact CA-O 3.5Å; R552-Y584 PolarHBondContact NH1-OH 3.22Å
553	R	92	Very high	93	Very high	73 Å²	73	38 Å²	38	28%	0.275	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	172.2	174.6	-66	177.6	-173	-83.3	-5.8	110.8	S532 N555 G556 E557 T559	S532-R553 PolarHBondContact OG-NH1 3.07Å; R553-N555 VanDerWaalsContact CB-OD1 3.31Å; R553-N555 WeakPolarHBondContact CB-OD1 3.37Å; R553-N555 PolarHBondContact O-N 2.8Å; R553-G556 PolarHBondContact O-N 3.45Å; R553-E557 PolarHBondContact N-O 2.93Å; R553-T559 PolarHBondContact NH2-OG1 2.88Å
554	E	88.7	Confident	93.4	Very high	149 Å²	149	36.1 Å²	36.1	70%	0.696	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29	179.4	-171.2	167.3	-162	0	0	113.4	L510 G556	L510-E554 HydrophobicContact CD2-CB 4.45Å; E554-G556 PolarHBondContact O-N 2.88Å
555	N	87.6	Confident	93.7	Very high	104 Å²	104	35.9 Å²	35.9	56%	0.556	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-3.3	173.9	69.1	-10.1	0	0	0	113.8	R553 E557	R553-N555 VanDerWaalsContact CB-OD1 3.31Å; R553-N555 WeakPolarHBondContact CB-OD1 3.37Å; R553-N555 PolarHBondContact O-N 2.8Å; N555-E557 VanDerWaalsContact ND2-CD 3.28Å; N555-E557 PolarHBondContact ND2-OE2 2.79Å; N555-E557 WeakPolarHBondContact OD1-CB 3.38Å; N555-E557 PolarHBondContact OD1-N 3.33Å
556	G	84.9	Confident	93.8	Very high	31 Å²	31	33.7 Å²	33.7	32%	0.32	17%	0.173	S	C	.	.	S	Bend	trans	88.3	-4.6	179.8	0	0	0	0	0	115.2	R552 R553 E554	R552-G556 WeakPolarHBondContact CG-O 3.28Å; R553-G556 PolarHBondContact O-N 3.45Å; E554-G556 PolarHBondContact O-N 2.88Å
557	E	88.3	Confident	93.7	Very high	125 Å²	125	34.9 Å²	34.9	58%	0.584	18%	0.18	S	C	*	.			trans	-80.7	143	179	-63.9	177.2	161.2	0	0	111.3	R552 R553 N555	R552-E557 WeakPolarHBondContact CA-O 3.5Å; R553-E557 PolarHBondContact N-O 2.93Å; N555-E557 VanDerWaalsContact ND2-CD 3.28Å; N555-E557 PolarHBondContact ND2-OE2 2.79Å; N555-E557 WeakPolarHBondContact OD1-CB 3.38Å; N555-E557 PolarHBondContact OD1-N 3.33Å
558	A	92.7	Very high	93.4	Very high	16 Å²	16	38.7 Å²	38.7	13%	0.132	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-71.5	155.4	169.3	0	0	0	0	0	110.8	E322 G551 P581	E322-A558 WeakPolarHBondContact O-CB 3.44Å; G551-A558 CarbonylContact O-C 3.54Å; G551-A558 VanDerWaalsContact O-CA 3.25Å; G551-A558 WeakPolarHBondContact O-CA 3.48Å; A558-P581 HydrophobicContact CB-CB 3.9Å
559	T	93.6	Very high	93.4	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.031	24%	0.237	C	C	.	.			trans	-121.2	152.3	176	-172.9	0	0	0	0	110.4	G550 G551 R553 T561 M578 P581 V582	G550-T559 WeakPolarHBondContact CA-O 3.3Å; G550-T559 WeakPolarHBondContact O-CG2 3.48Å; G551-T559 PolarHBondContact O-N 2.93Å; R553-T559 PolarHBondContact NH2-OG1 2.88Å; T559-T561 WeakPolarHBondContact CG2-OG1 3.44Å; T559-T561 WeakPolarHBondContact OG1-CG2 3.4Å; T559-T561 PolarHBondContact OG1-N 2.75Å; T559-T561 PolarHBondContact OG1-OG1 2.72Å; T559-M578 VanDerWaalsContact O-CE 3.29Å; T559-M578 WeakPolarHBondContact O-CE 3.26Å; T559-P581 WeakPolarHBondContact O-CA 3.47Å; T559-V582 PolarHBondContact O-N 3.26Å; T559-V582 VanDerWaalsContact O-N 3.12Å
560	D	94.3	Very high	93.3	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	26%	0.258	S	S	.	.			trans	-100.4	-2.6	173.5	58.4	-2.7	0	0	0	112.2	A577 M578 P581	D560-A577 HydrophobicContact CB-CB 4.34Å; D560-A577 CarbonylContact O-C 3.46Å; D560-A577 WeakPolarHBondContact O-CA 3.15Å; D560-M578 HydrophobicContact CB-CB 4.21Å; D560-M578 WeakPolarHBondContact O-CG 3.39Å; D560-M578 PolarHBondContact O-N 2.92Å; D560-P581 HydrophobicContact CB-CB 4.45Å; D560-P581 HydrophobicContact CB-CG 4.22Å
561	T	94.7	Very high	93.4	Very high	37 Å²	37	49.7 Å²	49.7	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	136.5	-175	50.3	0	0	0	0	113.5	G550 T559	G550-T561 PolarHBondContact N-O 2.84Å; T559-T561 WeakPolarHBondContact CG2-OG1 3.44Å; T559-T561 WeakPolarHBondContact OG1-CG2 3.4Å; T559-T561 PolarHBondContact OG1-N 2.75Å; T559-T561 PolarHBondContact OG1-OG1 2.72Å
562	I	95.9	Very high	93.5	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.6	170.5	-53.2	173.4	0	0	0	109.1	Y335 W342 Y547 L549 V575 A576 M578	Y335-I562 HydrophobicContact CE1-CD1 4.38Å; W342-I562 HydrophobicContact CZ2-CD1 3.67Å; Y547-I562 HydrophobicContact CD1-CG2 4Å; L549-I562 HydrophobicContact CD2-CD1 4.28Å; L549-I562 HydrophobicContact CD2-CG1 4.16Å; L549-I562 HydrophobicContact CG-CG1 4.13Å; L549-I562 HydrophobicContact CG-CG2 4.07Å; I562-V575 HydrophobicContact CG2-CB 4.46Å; I562-V575 PolarHBondContact O-N 3Å; I562-A576 WeakPolarHBondContact CB-O 3.28Å; I562-A576 HydrophobicContact CD1-CB 4.11Å; I562-A576 PolarHBondContact N-O 3.38Å; I562-A576 VanDerWaalsContact N-O 3.16Å; I562-M578 HydrophobicContact CD1-CG 4.12Å; I562-M578 HydrophobicContact CG1-CG 3.91Å
563	L	96.3	Very high	93.6	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.1	172.8	-53.9	179.8	0	0	0	109.4	T530 F531 Y547 I548 I572 T573	T530-L563 HydrophobicContact CG2-CD1 3.85Å; F531-L563 HydrophobicContact CD2-CD2 3.51Å; F531-L563 HydrophobicContact CE2-CD2 3.7Å; Y547-L563 CarbonylContact C-O 3.54Å; Y547-L563 VanDerWaalsContact CA-O 3.24Å; Y547-L563 WeakPolarHBondContact CA-O 3.31Å; I548-L563 HydrophobicContact CB-CB 4.34Å; I548-L563 PolarHBondContact N-O 3.38Å; I548-L563 PolarHBondContact O-N 2.9Å; L563-I572 HydrophobicContact CB-CD1 4.37Å; L563-I572 HydrophobicContact CB-CG1 4.47Å; L563-I572 HydrophobicContact CD1-CD1 4.29Å; L563-T573 CarbonylContact C-O 3.51Å; L563-T573 WeakPolarHBondContact CA-O 3.47Å
564	C	97.2	Very high	93.7	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.6	171.2	174.5	0	0	0	0	109	K545 I546 Y547 I572 T573 V575	K545-C564 VanDerWaalsContact CD-SG 3.58Å; I546-C564 CarbonylContact O-C 3.56Å; I546-C564 WeakPolarHBondContact O-CA 3.44Å; Y547-C564 HydrophobicContact CD1-CB 3.99Å; Y547-C564 HydrophobicContact CE1-CB 3.75Å; C564-I572 CarbonylContact O-C 3.54Å; C564-I572 WeakPolarHBondContact O-CA 3.41Å; C564-T573 PolarHBondContact N-O 3.42Å; C564-T573 PolarHBondContact O-N 2.82Å; C564-T573 PolarHBondContact O-OG1 3.27Å; C564-V575 HydrophobicContact CB-CG2 3.28Å
565	Y	97.3	Very high	93.7	Very high	6 Å²	6	46.5 Å²	46.5	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.8	170.4	173.4	-115.3	0	0	0	109.4	Y505 I514 V527 Q528 I546 P567 I572	Y505-Y565 HydrophobicContact CD1-CE1 4.2Å; Y505-Y565 AromaticContact CE1-CE1 3.9Å; Y505-Y565 HydrophobicContact CE1-CE1 3.9Å; I514-Y565 HydrophobicContact CD1-CG 4.43Å; V527-Y565 HydrophobicContact CG2-CE1 4.12Å; Q528-Y565 HydrophobicContact CB-CD2 4.18Å; Q528-Y565 HydrophobicContact CB-CE2 3.89Å; Q528-Y565 HydrophobicContact CG-CD2 4.33Å; Q528-Y565 HydrophobicContact CG-CE2 4.32Å; I546-Y565 HydrophobicContact CB-CD1 4.46Å; I546-Y565 HydrophobicContact CD1-CD1 4.06Å; I546-Y565 PolarHBondContact N-O 3.02Å; I546-Y565 PolarHBondContact O-N 3.12Å; Y565-P567 HydrophobicContact CD1-CG 4.18Å; Y565-P567 HydrophobicContact CE1-CB 4.23Å; Y565-P567 HydrophobicContact CE1-CG 3.85Å; Y565-P567 WeakPolarHBondContact O-CD 3.44Å; Y565-I572 HydrophobicContact CD2-CB 4.37Å
566	D	96.3	Very high	93.6	Very high	24 Å²	24	43.6 Å²	43.6	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	106.1	177.4	-174.2	-21.7	0	0	0	109.3	K545 A568 T569 S570 I571	K545-D566 HydrophobicContact CD-CB 4.08Å; K545-D566 WeakPolarHBondContact CE-OD2 3.38Å; K545-D566 HydrophobicContact CG-CB 4.29Å; K545-D566 IonicContact NZ-OD2 3.66Å; K545-D566 PolarHBondContact NZ-OD2 2.82Å; D566-A568 PolarHBondContact O-N 3.42Å; D566-A568 WeakPolarHBondContact OD1-CB 3.24Å; D566-A568 PolarHBondContact OD1-N 3.29Å; D566-T569 WeakPolarHBondContact CB-OG1 3.35Å; D566-T569 PolarHBondContact O-N 3.19Å; D566-S570 WeakPolarHBondContact O-CA 3.46Å; D566-S570 PolarHBondContact O-N 2.99Å; D566-I571 PolarHBondContact N-O 2.9Å
567	P	94.1	Very high	93.9	Very high	25 Å²	25	44.5 Å²	44.5	16%	0.162	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26	-179.7	-23.9	34.4	0	0	0	114	L500 I546 Y565	L500-P567 HydrophobicContact CD2-CG 3.72Å; I546-P567 HydrophobicContact CD1-CG 4.17Å; Y565-P567 HydrophobicContact CD1-CG 4.18Å; Y565-P567 HydrophobicContact CE1-CB 4.23Å; Y565-P567 HydrophobicContact CE1-CG 3.85Å; Y565-P567 WeakPolarHBondContact O-CD 3.44Å
568	A	92.9	Very high	94.1	Very high	94 Å²	94	38.9 Å²	38.9	78%	0.777	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-34.5	-178.5	0	0	0	0	0	112	D566	D566-A568 PolarHBondContact O-N 3.42Å; D566-A568 WeakPolarHBondContact OD1-CB 3.24Å; D566-A568 PolarHBondContact OD1-N 3.29Å
569	T	95.4	Very high	94.1	Very high	78 Å²	78	41.2 Å²	41.2	48%	0.479	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-11.3	178.1	60	0	0	0	0	113	D566 I571	D566-T569 WeakPolarHBondContact CB-OG1 3.35Å; D566-T569 PolarHBondContact O-N 3.19Å; T569-I571 PolarHBondContact O-N 3.29Å; T569-I571 PolarHBondContact OG1-N 2.94Å
570	S	94.5	Very high	94	Very high	62 Å²	62	44.1 Å²	44.1	43%	0.434	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	18.1	-170.2	-63.3	0	0	0	0	114.5	Q528 D566	Q528-S570 PolarHBondContact NE2-O 2.84Å; Q528-S570 VanDerWaalsContact NE2-O 3.11Å; D566-S570 WeakPolarHBondContact O-CA 3.46Å; D566-S570 PolarHBondContact O-N 2.99Å
571	I	96.7	Very high	94	Very high	94 Å²	94	43.8 Å²	43.8	48%	0.482	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.1	-179.3	-60.5	175.2	0	0	0	109.9	D566 T569 T573	D566-I571 PolarHBondContact N-O 2.9Å; T569-I571 PolarHBondContact O-N 3.29Å; T569-I571 PolarHBondContact OG1-N 2.94Å; I571-T573 HydrophobicContact CG2-CG2 3.83Å
572	I	96.3	Very high	93.9	Very high	19 Å²	19	42.3 Å²	42.3	10%	0.097	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.9	167.3	-169.7	164.3	0	0	0	110.1	I514 Q528 T530 F531 L563 C564 Y565	I514-I572 HydrophobicContact CD1-CD1 3.94Å; Q528-I572 HydrophobicContact CG-CB 3.95Å; Q528-I572 HydrophobicContact CG-CG2 3.66Å; T530-I572 HydrophobicContact CG2-CD1 4.23Å; F531-I572 HydrophobicContact CE1-CG2 4.22Å; F531-I572 HydrophobicContact CZ-CG2 4.07Å; L563-I572 HydrophobicContact CB-CD1 4.37Å; L563-I572 HydrophobicContact CB-CG1 4.47Å; L563-I572 HydrophobicContact CD1-CD1 4.29Å; C564-I572 CarbonylContact O-C 3.54Å; C564-I572 WeakPolarHBondContact O-CA 3.41Å; Y565-I572 HydrophobicContact CD2-CB 4.37Å
573	T	96.3	Very high	93.7	Very high	64 Å²	64	42.2 Å²	42.2	39%	0.393	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.6	-178.5	55.7	0	0	0	0	110.8	L563 C564 I571	L563-T573 CarbonylContact C-O 3.51Å; L563-T573 WeakPolarHBondContact CA-O 3.47Å; C564-T573 PolarHBondContact N-O 3.42Å; C564-T573 PolarHBondContact O-N 2.82Å; C564-T573 PolarHBondContact O-OG1 3.27Å; I571-T573 HydrophobicContact CG2-CG2 3.83Å
574	G	93.9	Very high	93.6	Very high	57 Å²	57	43.4 Å²	43.4	59%	0.588	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.8	162.6	0	0	0	0	0	108.6
575	V	89.2	Confident	93.4	Very high	60 Å²	60	43.9 Å²	43.9	36%	0.364	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-53.5	-171.3	-176.4	0	0	0	0	112	Y335 Y547 I562 C564	Y335-V575 WeakPolarHBondContact OH-CG1 3.26Å; Y547-V575 HydrophobicContact CE1-CG2 4.32Å; I562-V575 HydrophobicContact CG2-CB 4.46Å; I562-V575 PolarHBondContact O-N 3Å; C564-V575 HydrophobicContact CB-CG2 3.28Å
576	A	84.3	Confident	93.3	Very high	43 Å²	43	43.9 Å²	43.9	36%	0.355	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-177.2	-176.5	0	0	0	0	0	109.8	Y335 I562	Y335-A576 HydrophobicContact CE2-CB 4.38Å; I562-A576 WeakPolarHBondContact CB-O 3.28Å; I562-A576 HydrophobicContact CD1-CB 4.11Å; I562-A576 PolarHBondContact N-O 3.38Å; I562-A576 VanDerWaalsContact N-O 3.16Å
577	A	91.5	Very high	93.2	Very high	49 Å²	49	43.5 Å²	43.5	41%	0.405	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	145.4	168.1	0	0	0	0	0	109.8	W342 D560	W342-A577 PolarHBondContact NE1-O 3.4Å; D560-A577 HydrophobicContact CB-CB 4.34Å; D560-A577 CarbonylContact O-C 3.46Å; D560-A577 WeakPolarHBondContact O-CA 3.15Å
578	M	93.6	Very high	93.4	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.039	28%	0.281	C	S	.	.			trans	-65	157	165	-62.5	-169.5	-59	0	0	109.6	V317 W342 L549 T559 D560 I562 R580 V582	V317-M578 HydrophobicContact CG2-SD 4.4Å; W342-M578 HydrophobicContact CH2-CB 4.26Å; W342-M578 HydrophobicContact CH2-CG 3.86Å; W342-M578 HydrophobicContact CZ2-CB 4.08Å; W342-M578 HydrophobicContact CZ2-CG 3.82Å; L549-M578 HydrophobicContact CB-SD 3.92Å; L549-M578 HydrophobicContact CD2-CG 4.37Å; L549-M578 HydrophobicContact CD2-SD 4.23Å; T559-M578 VanDerWaalsContact O-CE 3.29Å; T559-M578 WeakPolarHBondContact O-CE 3.26Å; D560-M578 HydrophobicContact CB-CB 4.21Å; D560-M578 WeakPolarHBondContact O-CG 3.39Å; D560-M578 PolarHBondContact O-N 2.92Å; I562-M578 HydrophobicContact CD1-CG 4.12Å; I562-M578 HydrophobicContact CG1-CG 3.91Å; M578-R580 WeakPolarHBondContact CB-O 3.49Å; M578-R580 PolarHBondContact O-N 2.99Å; M578-V582 HydrophobicContact CE-CB 4.1Å; M578-V582 HydrophobicContact CE-CG2 4.44Å
579	P	92.2	Very high	93.4	Very high	65 Å²	65	39.2 Å²	39.2	42%	0.422	25%	0.25	S	C	.	.	S	Bend	trans	-59.9	-18.7	179.8	-24.4	35.7	0	0	0	113.8	W342	W342-P579 HydrophobicContact CB-CG 4.19Å; W342-P579 HydrophobicContact CD2-CG 3.71Å; W342-P579 HydrophobicContact CE3-CG 3.95Å; W342-P579 HydrophobicContact CG-CG 3.82Å
580	R	91.2	Very high	93.3	Very high	66 Å²	66	35.6 Å²	35.6	25%	0.249	23%	0.227	C	C	.	.	S	Bend	trans	-155.4	155.5	178.1	67	-166.9	71.2	-118.7	-0.5	110.2	E322 E333 M578 V582	E322-R580 IonicContact OE1-NH1 3.7Å; E333-R580 IonicContact OE2-NE 3.21Å; M578-R580 WeakPolarHBondContact CB-O 3.49Å; M578-R580 PolarHBondContact O-N 2.99Å; R580-V582 HydrophobicContact CG-CG2 3.47Å; R580-V582 VanDerWaalsContact CG-CG2 3.47Å; R580-V582 PolarHBondContact O-N 2.82Å
581	P	93.2	Very high	93	Very high	51 Å²	51	33.3 Å²	33.3	33%	0.331	21%	0.209	S	C	.	.			trans	-68.3	126.6	170.6	-19.9	33.1	0	0	0	111.6	A558 T559 D560	A558-P581 HydrophobicContact CB-CB 3.9Å; T559-P581 WeakPolarHBondContact O-CA 3.47Å; D560-P581 HydrophobicContact CB-CB 4.45Å; D560-P581 HydrophobicContact CB-CG 4.22Å
582	V	93.1	Very high	92.5	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	20%	0.198	C	C	.	.			trans	-139.2	139.7	-176.9	-170.4	0	0	0	0	112	G319 L329 G551 T559 M578 R580 H585	G319-V582 WeakPolarHBondContact O-CG1 3.18Å; L329-V582 HydrophobicContact CD1-CG1 4.23Å; L329-V582 HydrophobicContact CD1-CG2 3.92Å; G551-V582 PolarHBondContact N-O 2.91Å; T559-V582 PolarHBondContact O-N 3.26Å; T559-V582 VanDerWaalsContact O-N 3.12Å; M578-V582 HydrophobicContact CE-CB 4.1Å; M578-V582 HydrophobicContact CE-CG2 4.44Å; R580-V582 HydrophobicContact CG-CG2 3.47Å; R580-V582 VanDerWaalsContact CG-CG2 3.47Å; R580-V582 PolarHBondContact O-N 2.82Å; V582-H585 HydrophobicContact CG1-CB 3.73Å; V582-H585 PolarHBondContact O-CE1 2.72Å; V582-H585 PolarHBondContact O-ND1 2.97Å
583	S	93	Very high	91.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-125.2	162.8	168.7	65.1	0	0	0	0	111.1	G320 C321 H585	G320-S583 CarbonylContact C-O 3.57Å; G320-S583 VanDerWaalsContact CA-O 3.29Å; G320-S583 WeakPolarHBondContact CA-O 3.49Å; C321-S583 PolarHBondContact N-O 2.56Å; C321-S583 PolarHBondContact O-N 3.1Å; C321-S583 PolarHBondContact O-OG 3.14Å; S583-H585 PolarHBondContact O-N 2.97Å; S583-H585 VanDerWaalsContact O-N 3.11Å
584	Y	92.5	Very high	90.3	Very high	34 Å²	34	33.6 Å²	33.6	13%	0.133	20%	0.198	C	C	.	.	S	Bend	trans	59.4	19.4	-179.9	-57.5	-85.5	0	0	0	115.3	E355 N536 R552	E355-Y584 HydrophobicContact CG-CD1 3.88Å; E355-Y584 HydrophobicContact CG-CE1 4.11Å; N536-Y584 HydrophobicContact CB-CD1 3.9Å; N536-Y584 HydrophobicContact CB-CD2 4.41Å; N536-Y584 HydrophobicContact CB-CE1 4Å; N536-Y584 HydrophobicContact CB-CE2 4.48Å; N536-Y584 HydrophobicContact CB-CG 4.13Å; N536-Y584 WeakPolarHBondContact ND2-CE1 3.46Å; N536-Y584 VanDerWaalsContact ND2-CZ 3.3Å; N536-Y584 PolarHBondContact ND2-OH 2.96Å; N536-Y584 PolarHBondContact O-N 3.09Å; N536-Y584 VanDerWaalsContact O-N 3.08Å; N536-Y584 WeakPolarHBondContact OD1-CE1 3.26Å; R552-Y584 PolarHBondContact NH1-OH 3.22Å
585	H	94	Very high	88.6	Confident	16 Å²	16	38.4 Å²	38.4	7%	0.074	21%	0.206	C	C	.	.			trans	-81.1	158.1	176.1	57.3	-88.3	0	0	0	111.4	V317 V318 G319 G538 L549 V582 S583	V317-H585 HydrophobicContact CG1-CB 3.96Å; V318-H585 WeakPolarHBondContact O-CA 3.21Å; G319-H585 WeakPolarHBondContact O-CB 3.41Å; G538-H585 WeakPolarHBondContact CA-NE2 3.41Å; G538-H585 PolarHBondContact N-NE2 3.37Å; G538-H585 VanDerWaalsContact N-NE2 3.17Å; L549-H585 PolarHBondContact O-CE1 2.93Å; L549-H585 VanDerWaalsContact O-CE1 3.24Å; L549-H585 PolarHBondContact O-NE2 2.91Å; V582-H585 HydrophobicContact CG1-CB 3.73Å; V582-H585 PolarHBondContact O-CE1 2.72Å; V582-H585 PolarHBondContact O-ND1 2.97Å; S583-H585 PolarHBondContact O-N 2.97Å; S583-H585 VanDerWaalsContact O-N 3.11Å
586	G	94.5	Very high	86.9	Confident	7 Å²	7	41.8 Å²	41.8	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	147.4	162.6	0	0	0	0	0	111.1	V317 V318 V358	V317-G586 WeakPolarHBondContact CA-O 3.45Å; V318-G586 PolarHBondContact N-O 2.85Å; V318-G586 PolarHBondContact O-N 2.7Å; V358-G586 VanDerWaalsContact CG2-CA 3.45Å
587	C	95.9	Very high	85.1	Confident	16 Å²	16	41.8 Å²	41.8	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	123	175.9	-176.5	0	0	0	0	108.7	I315 V316	I315-C587 VanDerWaalsContact CG2-SG 3.57Å; V316-C587 WeakPolarHBondContact O-CA 3.4Å
588	V	96.2	Very high	82.7	Confident	10 Å²	10	45.5 Å²	45.5	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	159.9	-177.1	-64.6	0	0	0	0	110.2	I315 V316 V358 A360 I365	I315-V588 CarbonylContact C-O 3.55Å; I315-V588 WeakPolarHBondContact CA-O 3.44Å; V316-V588 HydrophobicContact CB-CG2 4.14Å; V316-V588 PolarHBondContact N-O 3.5Å; V316-V588 PolarHBondContact O-N 3.26Å; V316-V588 VanDerWaalsContact O-N 3.11Å; V358-V588 HydrophobicContact CG1-CG1 3.87Å; V358-V588 HydrophobicContact CG1-CG2 4.45Å; A360-V588 HydrophobicContact CB-CB 4.03Å; A360-V588 HydrophobicContact CB-CG1 4.41Å; A360-V588 HydrophobicContact CB-CG2 4.46Å; I365-V588 HydrophobicContact CD1-CG2 3.7Å; I365-V588 HydrophobicContact CG1-CG2 3.85Å; I365-V588 HydrophobicContact CG2-CG2 3.96Å
589	T	94.6	Very high	79.9	Confident	19 Å²	19	54.4 Å²	54.4	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.7	172.7	-59.9	0	0	0	0	109.9	E313 V314 S540 V541 C542	E313-T589 HydrophobicContact CB-CG2 4.19Å; V314-T589 WeakPolarHBondContact O-CA 3.45Å; S540-T589 PolarHBondContact OG-N 2.91Å; S540-T589 VanDerWaalsContact OG-N 3.08Å; S540-T589 PolarHBondContact OG-OG1 3.06Å; V541-T589 WeakPolarHBondContact O-CB 3.31Å; V541-T589 WeakPolarHBondContact O-CG2 3.43Å; V541-T589 PolarHBondContact O-OG1 3.28Å; C542-T589 HydrophobicContact CB-CG2 4.27Å
590	I	92.4	Very high	77.2	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	163	171.5	63.9	170.4	0	0	0	109.6	V314 V316 A360 I365	V314-I590 HydrophobicContact CG2-CG1 3.81Å; V314-I590 PolarHBondContact N-O 2.8Å; V314-I590 PolarHBondContact O-N 2.99Å; V316-I590 HydrophobicContact CG2-CD1 3.76Å; V316-I590 HydrophobicContact CG2-CG1 3.75Å; A360-I590 HydrophobicContact CB-CG2 4.26Å; I365-I590 HydrophobicContact CD1-CD1 4.28Å; I365-I590 HydrophobicContact CD1-CG2 4.11Å; I365-I590 HydrophobicContact CG1-CG2 3.85Å
591	H	88.9	Confident	76.5	Confident	14 Å²	14	60.3 Å²	60.3	7%	0.065	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131	166.3	-64.3	116.6	0	0	0	109.6	N296 S312 E313 N363	N296-H591 PolarHBondContact ND2-ND1 3.16Å; N296-H591 PolarHBondContact OD1-CE1 3.22Å; N296-H591 PolarHBondContact OD1-ND1 3.29Å; S312-H591 WeakPolarHBondContact O-CA 3.41Å; E313-H591 VanDerWaalsContact CG-CD2 3.44Å; E313-H591 WeakPolarHBondContact CG-CD2 3.45Å; E313-H591 VanDerWaalsContact CG-NE2 3.34Å; E313-H591 WeakPolarHBondContact CG-NE2 3.18Å; N363-H591 PolarHBondContact ND2-O 3.03Å; N363-H591 WeakPolarHBondContact OD1-CA 3.43Å; N363-H591 WeakPolarHBondContact OD1-CB 3.29Å; N363-H591 PolarHBondContact OD1-N 3.05Å; N363-H591 PolarHBondContact OD1-O 2.62Å; N363-H591 VanDerWaalsContact OD1-O 3.1Å
592	R	85.5	Confident	75.6	Confident	64 Å²	64	60.8 Å²	60.8	24%	0.242	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.1	177.4	-168.6	177.9	-178.6	-172.3	4	110.9	Y311 S312 V314 C334	Y311-R592 WeakPolarHBondContact CA-O 3.37Å; S312-R592 PolarHBondContact N-O 3.41Å; S312-R592 PolarHBondContact O-N 2.65Å; V314-R592 HydrophobicContact CG1-CB 4.31Å; V314-R592 HydrophobicContact CG2-CB 3.66Å; C334-R592 PolarHBondContact SG-NH1 3.29Å
593	Y	79.3	Confident	74.6	Confident	99 Å²	99	63.9 Å²	63.9	39%	0.388	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.1	170.5	-172.7	-104.2	0	0	0	110.6	G310 Y311 E595 F598	G310-Y593 CarbonylContact O-C 3.53Å; G310-Y593 WeakPolarHBondContact O-CA 3.39Å; Y311-Y593 HydrophobicContact CD2-CD2 4.05Å; Y311-Y593 HydrophobicContact CE1-CD2 4.32Å; Y311-Y593 AromaticContact CE2-CD2 3.76Å; Y311-Y593 HydrophobicContact CE2-CD2 3.76Å; Y311-Y593 HydrophobicContact CE2-CE2 4.4Å; Y311-Y593 HydrophobicContact CG-CD2 4.46Å; Y311-Y593 AromaticContact CZ-CD2 3.91Å; Y593-E595 HydrophobicContact CD1-CG 4.17Å; Y593-E595 HydrophobicContact CE1-CG 3.9Å; Y593-F598 HydrophobicContact CE2-CE2 4.17Å; Y593-F598 AromaticContact CZ-CE2 3.97Å; Y593-F598 WeakPolarHBondContact OH-CD2 3.42Å; Y593-F598 WeakPolarHBondContact OH-CE2 3.41Å
594	N	67.6	Low	73.6	Confident	20 Å²	20	67.6 Å²	67.6	11%	0.107	32%	0.317	C	S	.	.			trans	-119.9	100.6	-176.3	-161.3	4.3	0	0	0	108.4	G310 K343 K596 C597	G310-N594 PolarHBondContact O-N 3.25Å; K343-N594 PolarHBondContact NZ-OD1 3.17Å; N594-K596 PolarHBondContact O-N 2.83Å; N594-C597 PolarHBondContact O-N 2.77Å
595	E	57.4	Low	72.4	Confident	159 Å²	159	69.7 Å²	69.7	74%	0.743	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-57	-22	-176	-68	177.5	170.7	0	0	113.9	Y593 C597	Y593-E595 HydrophobicContact CD1-CG 4.17Å; Y593-E595 HydrophobicContact CE1-CG 3.9Å; E595-C597 VanDerWaalsContact C-N 3.27Å; E595-C597 PolarHBondContact O-N 2.75Å
596	K	53.2	Low	70.9	Confident	130 Å²	130	73.3 Å²	73.3	57%	0.565	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-68.3	-20.3	-178.3	-71.3	-173.7	-177.6	173.6	0	113.9	E341 N594 F598	E341-K596 IonicContact OE1-NZ 2.7Å; E341-K596 PolarHBondContact OE1-NZ 2.69Å; E341-K596 IonicContact OE2-NZ 2.6Å; E341-K596 PolarHBondContact OE2-NZ 3.1Å; N594-K596 PolarHBondContact O-N 2.83Å; K596-F598 VanDerWaalsContact C-N 3.28Å; K596-F598 PolarHBondContact O-N 2.88Å
597	C	47.1	Very low	69.3	Low	43 Å²	43	78 Å²	78	29%	0.291	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-72.2	-16.3	-176	-76.3	0	0	0	0	114.1	N594 E595 K599	N594-C597 PolarHBondContact O-N 2.77Å; E595-C597 VanDerWaalsContact C-N 3.27Å; E595-C597 PolarHBondContact O-N 2.75Å; C597-K599 PolarHBondContact O-N 2.71Å
598	F	42.3	Very low	67.2	Low	128 Å²	128	82.8 Å²	82.8	56%	0.561	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-79.2	8.8	178	-90.3	-88.9	0	0	0	114.9	Y593 K596	Y593-F598 HydrophobicContact CE2-CE2 4.17Å; Y593-F598 AromaticContact CZ-CE2 3.97Å; Y593-F598 WeakPolarHBondContact OH-CD2 3.42Å; Y593-F598 WeakPolarHBondContact OH-CE2 3.41Å; K596-F598 VanDerWaalsContact C-N 3.28Å; K596-F598 PolarHBondContact O-N 2.88Å
599	K	34.3	Very low	64.8	Low	195 Å²	195	88.8 Å²	88.8	85%	0.848	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-119.5	16.3	-177.3	-74.3	-166.3	176.6	-175.2	0	115	C597	C597-K599 PolarHBondContact O-N 2.71Å
600	L	35	Very low	62.1	Low	194 Å²	194	95.2 Å²	95.2	100%	1.016	44%	0.439	S	S	*	.			trans	-108.9	0	165.6	-73.4	164	0	0	0	108.1

Retrieved 600 of 600 residues in 4593.7 ms (Link to these results)

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