KLH24_HUMAN Loading...

Kelch-like protein 24

Necessary to maintain the balance between intermediate filament stability and degradation, a process that is essential for skin integrity¹. As part of the BCR(KLHL24) E3 ubiquitin ligase complex, mediates ubiquitination of KRT14 and controls its levels during keratinocytes differentiation². Specifically reduces kainate receptor-mediated currents in hippocampal neurons, most probably by modulating channel properties (By similarity). Has a crucial role in cardiac development and function³.

AlphaFold DB , UniProt , Accession Q6TFL4, Species HUMAN (Homo sapiens, Human), Gene KLHL24, Length 600 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 2977.6 ms (Link to these results)

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