A0A087XJK1_POEFO Loading...

Receptor-type tyrosine-protein phosphatase

Isoform 1 and isoform 2 act as a negative regulator of FceRI-mediated signal transduction leading to cytokine production and degranulation, most likely by acting at the level of SYK to affect downstream events such as phosphorylation of SLP76 and LAT and mobilization of Ca(2+).

AlphaFold DB , UniProt , Accession A0A087XJK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 700 aa.

Structure Viewer

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(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	32.8	Very low	31.3	Very low	238 Å²	238	145.3 Å²	145.3	100%	1.172	81%	0.807	S	S	*	*				0	106.2	0	-140.9	170.4	74.8	0	0	106.4
2	V	28.7	Very low	31.6	Very low	131 Å²	131	145.8 Å²	145.8	79%	0.794	80%	0.804	S	S	*	*			trans	56.7	112.5	156.7	-169.4	0	0	0	0	120.8	L4	V2-L4 HydrophobicContact CG1-CD1 4.29Å
3	L	31.9	Very low	33.1	Very low	143 Å²	143	142.5 Å²	142.5	75%	0.749	79%	0.794	S	S	*	*			trans	-68.2	155.3	154.8	-93.1	95.9	0	0	0	112.6	L5	L3-L5 HydrophobicContact CD2-CD1 4.2Å
4	L	30.1	Very low	32.7	Very low	160 Å²	160	148.9 Å²	148.9	84%	0.838	80%	0.802	S	S	*	*			trans	-169.7	108.1	142.5	-101	136.1	0	0	0	108.2	V2	V2-L4 HydrophobicContact CG1-CD1 4.29Å
5	L	32.7	Very low	32.7	Very low	130 Å²	130	145.5 Å²	145.5	68%	0.681	79%	0.794	S	S	*	*				62.1	102.8	66	-93.1	154.4	0	0	0	116.3	L3	L3-L5 HydrophobicContact CD2-CD1 4.2Å
6	F	34.7	Very low	32.4	Very low	170 Å²	170	150.8 Å²	150.8	75%	0.746	80%	0.801	S	S	*	*			trans	38	134.6	138.3	-85.9	-98.7	0	0	0	122.2	V8	F6-V8 HydrophobicContact CD1-CG2 4.46Å
7	L	28.7	Very low	32.3	Very low	177 Å²	177	146.2 Å²	146.2	93%	0.927	78%	0.784	S	S	*	*				-159.6	132.5	125.5	-111.2	148.6	0	0	0	113.1
8	V	32.8	Very low	32	Very low	103 Å²	103	146 Å²	146	62%	0.624	78%	0.783	S	S	*	*			trans	-86.1	143.3	174.2	168.3	0	0	0	0	109.2	F6	F6-V8 HydrophobicContact CD1-CG2 4.46Å
9	A	28.1	Very low	32	Very low	104 Å²	104	144.2 Å²	144.2	86%	0.86	78%	0.778	S	S	*	*			trans	-143.7	111.7	157.1	0	0	0	0	0	110.3
10	T	33.4	Very low	31.9	Very low	116 Å²	116	144.1 Å²	144.1	71%	0.712	78%	0.782	S	S	*	*			trans	-91.2	158.9	165	37.5	0	0	0	0	110
11	T	30.3	Very low	32	Very low	126 Å²	126	140.8 Å²	140.8	77%	0.773	78%	0.775	S	S	*	*			trans	133.5	141.5	154.8	54.3	0	0	0	0	111
12	I	35.5	Very low	32	Very low	152 Å²	152	136.3 Å²	136.3	78%	0.779	76%	0.755	S	S	*	*			cis	-167.8	164.7	-10.6	-106.7	170	0	0	0	104.6
13	P	50.2	Low	32.3	Very low	103 Å²	103	136.7 Å²	136.7	67%	0.669	75%	0.753	S	S	*	*			trans	-100.1	172	-154.3	36.6	-26.9	0	0	0	114.6
14	Y	28.4	Very low	32.3	Very low	231 Å²	231	135.2 Å²	135.2	91%	0.906	75%	0.75	S	S	*	*			trans	-128.7	119.8	159.3	-104.2	-85.2	0	0	0	111.1
15	S	32	Very low	32.5	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	75%	0.749	S	S	*	*			trans	-88	150.2	169.4	32.3	0	0	0	0	110.3
16	Y	28.2	Very low	32.5	Very low	230 Å²	230	133.4 Å²	133.4	90%	0.902	75%	0.75	S	S	*	*			trans	-152.2	143.4	134.3	-116.4	-80.8	0	0	0	111.4
17	S	30.3	Very low	32.6	Very low	74 Å²	74	134 Å²	134	52%	0.517	75%	0.752	S	S	.	*			trans	-105	151.2	-160	44.1	0	0	0	0	113
18	N	27.2	Very low	32.9	Very low	142 Å²	142	133.7 Å²	133.7	76%	0.759	75%	0.746	S	S	*	*				168.3	122.3	107.6	-90	-25.9	0	0	0	110.9
19	T	32.3	Very low	32.8	Very low	112 Å²	112	132.7 Å²	132.7	69%	0.687	76%	0.756	S	S	*	*				81	117.2	61.4	-35.9	0	0	0	0	114.2
20	T	29.8	Very low	33.3	Very low	141 Å²	141	135 Å²	135	87%	0.865	75%	0.754	S	S	*	*				179.3	143.3	124.5	29.6	0	0	0	0	109.1
21	A	34.8	Very low	33.6	Very low	76 Å²	76	138.7 Å²	138.7	63%	0.628	76%	0.761	S	S	*	*			cis	-178.4	165.2	-18.9	0	0	0	0	0	107.8
22	N	31	Very low	34.6	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	76%	0.761	S	S	*	*			trans	116.9	94.7	155.9	-64.3	2.8	0	0	0	114
23	D	35.8	Very low	35.2	Very low	140 Å²	140	139.2 Å²	139.2	75%	0.749	76%	0.763	S	S	*	*				85.6	123.7	77.9	-96.7	-13.6	0	0	0	111
24	T	32.8	Very low	35.2	Very low	112 Å²	112	139.8 Å²	139.8	69%	0.687	76%	0.76	S	S	*	*				-173.7	144.7	59.9	6.6	0	0	0	0	112
25	N	34.1	Very low	36.5	Very low	151 Å²	151	134 Å²	134	81%	0.807	75%	0.751	S	S	*	*			trans	49.7	137.9	139.2	-71.1	-18.9	0	0	0	121.2
26	S	33.2	Very low	37.8	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	75%	0.749	S	S	*	*			cis	-175.2	145.6	25.8	46.7	0	0	0	0	112.2
27	K	36.2	Very low	39.3	Very low	182 Å²	182	128.9 Å²	128.9	79%	0.791	73%	0.73	S	S	*	*			trans	35.7	145.2	137.1	-63.1	-174.6	172.2	-162.2	0	120.2
28	E	33.6	Very low	40.8	Very low	172 Å²	172	131.8 Å²	131.8	80%	0.804	74%	0.739	S	S	*	*			cis	-173.5	156.4	13.7	-118.8	166	-154.8	0	0	106.1
29	G	31.6	Very low	42.7	Very low	81 Å²	81	128.3 Å²	128.3	84%	0.835	72%	0.724	S	S	*	*			trans	133.5	93.7	158.2	0	0	0	0	0	117.1
30	D	37.8	Very low	44.6	Very low	154 Å²	154	128.2 Å²	128.2	82%	0.824	72%	0.718	S	S	*	*			trans	-74.7	130.2	-178.1	-164.8	7.4	0	0	0	113.7
31	K	40.4	Very low	46.9	Very low	193 Å²	193	125.3 Å²	125.3	84%	0.839	70%	0.7	S	S	*	*			trans	-152.9	116.1	147.8	-87.6	-166.9	-176	173.3	0	109.8	H33	K31-H33 PolarHBondContact O-N 3.03Å
32	S	50.3	Low	48.9	Very low	113 Å²	113	127.1 Å²	127.1	79%	0.79	70%	0.699	S	S	*	*			trans	-57.6	110.7	176.9	47.8	0	0	0	0	113.7
33	H	49.1	Very low	51.3	Low	176 Å²	176	124.3 Å²	124.3	82%	0.815	69%	0.687	S	S	*	*			trans	-120	117.1	157	-88.2	-60	0	0	0	108.5	K31 P35	K31-H33 PolarHBondContact O-N 3.03Å; H33-P35 VanDerWaalsContact O-CD 3.28Å; H33-P35 WeakPolarHBondContact O-CD 3.36Å; H33-P35 VanDerWaalsContact O-N 3.16Å
34	N	50.6	Low	53.5	Low	115 Å²	115	121.5 Å²	121.5	62%	0.615	67%	0.674	S	S	*	*			trans	-61.6	112.6	178	-162.8	1.4	0	0	0	109.2	Q36 V37	N34-Q36 PolarHBondContact O-N 3.41Å; N34-V37 HydrophobicContact CB-CG2 4.36Å; N34-V37 PolarHBondContact O-N 3.01Å
35	P	55.5	Low	55.7	Low	108 Å²	108	119.5 Å²	119.5	70%	0.701	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	1.9	-168.5	28.5	-33.3	0	0	0	113.7	H33 P39	H33-P35 VanDerWaalsContact O-CD 3.28Å; H33-P35 WeakPolarHBondContact O-CD 3.36Å; H33-P35 VanDerWaalsContact O-N 3.16Å; P35-P39 WeakPolarHBondContact O-CD 3.3Å
36	Q	58.9	Low	58.2	Low	137 Å²	137	117.3 Å²	117.3	64%	0.64	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-7.7	-177.3	-64.1	-168.4	-14.2	0	0	114.8	N34 I40	N34-Q36 PolarHBondContact O-N 3.41Å; Q36-I40 VanDerWaalsContact O-CD1 3.27Å; Q36-I40 WeakPolarHBondContact O-CD1 3.47Å; Q36-I40 VanDerWaalsContact O-CG1 3.31Å; Q36-I40 WeakPolarHBondContact O-CG1 3.48Å
37	V	60.5	Low	60.7	Low	85 Å²	85	117.2 Å²	117.2	52%	0.515	64%	0.644	S	S	.	*	H	α-helix	trans	-79.7	-38.3	-179.6	-178.2	0	0	0	0	111.7	N34 I40 V41	N34-V37 HydrophobicContact CB-CG2 4.36Å; N34-V37 PolarHBondContact O-N 3.01Å; V37-I40 PolarHBondContact O-N 3.3Å; V37-V41 HydrophobicContact CG1-CG2 4.21Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 2.91Å; V37-V41 VanDerWaalsContact O-N 3.1Å
38	L	61.7	Low	63.2	Low	134 Å²	134	112.7 Å²	112.7	70%	0.702	63%	0.631	S	S	*	*	H	α-helix	trans	-65.1	-43.1	-177.7	-153.9	78.1	0	0	0	113.9	L42	L38-L42 HydrophobicContact CG-CD1 4.49Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.14Å; L38-L42 VanDerWaalsContact O-N 3.1Å
39	P	67.5	Low	65.9	Low	70 Å²	70	109.2 Å²	109.2	46%	0.455	62%	0.618	S	S	.	*	H	α-helix	trans	-67.1	-37.2	178.3	-17.6	30.9	0	0	0	112.6	P35 L42 V43	P35-P39 WeakPolarHBondContact O-CD 3.3Å; P39-L42 PolarHBondContact O-N 3.12Å; P39-V43 VanDerWaalsContact O-CG2 3.29Å; P39-V43 WeakPolarHBondContact O-CG2 3.37Å; P39-V43 PolarHBondContact O-N 2.79Å
40	I	72	Confident	68.6	Low	109 Å²	109	109.2 Å²	109.2	56%	0.559	60%	0.598	S	S	*	*	H	α-helix	trans	-69.5	-42.8	-179	-63.8	173.6	0	0	0	110.4	Q36 V37 L42 V43 V44	Q36-I40 VanDerWaalsContact O-CD1 3.27Å; Q36-I40 WeakPolarHBondContact O-CD1 3.47Å; Q36-I40 VanDerWaalsContact O-CG1 3.31Å; Q36-I40 WeakPolarHBondContact O-CG1 3.48Å; V37-I40 PolarHBondContact O-N 3.3Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 3.45Å; I40-V43 PolarHBondContact O-N 2.77Å; I40-V44 HydrophobicContact CG2-CG2 4.45Å; I40-V44 VanDerWaalsContact O-CG2 3.3Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 3.05Å
41	V	76.4	Confident	71.1	Confident	80 Å²	80	109.3 Å²	109.3	49%	0.485	59%	0.591	S	S	.	*	H	α-helix	trans	-62.1	-42	175.4	173.6	0	0	0	0	110.7	V37 V44 S45	V37-V41 HydrophobicContact CG1-CG2 4.21Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 2.91Å; V37-V41 VanDerWaalsContact O-N 3.1Å; V41-V44 PolarHBondContact O-N 3.2Å; V41-S45 WeakPolarHBondContact O-CB 3.37Å; V41-S45 PolarHBondContact O-N 2.66Å; V41-S45 PolarHBondContact O-OG 2.82Å
42	L	77.4	Confident	73.3	Confident	114 Å²	114	103.9 Å²	103.9	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-63.2	-41.8	176.8	-78.6	166.4	0	0	0	112.9	L38 P39 I40 S45 L46	L38-L42 HydrophobicContact CG-CD1 4.49Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.14Å; L38-L42 VanDerWaalsContact O-N 3.1Å; P39-L42 PolarHBondContact O-N 3.12Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 3.45Å; L42-S45 PolarHBondContact O-N 2.81Å; L42-L46 WeakPolarHBondContact O-CB 3.3Å; L42-L46 PolarHBondContact O-N 3.4Å
43	V	81.1	Confident	75	Confident	84 Å²	84	103 Å²	103	51%	0.509	56%	0.56	S	S	.	*	H	α-helix	trans	-67.1	-41.8	177.8	171.5	0	0	0	0	111.2	P39 I40 L46 L47	P39-V43 VanDerWaalsContact O-CG2 3.29Å; P39-V43 WeakPolarHBondContact O-CG2 3.37Å; P39-V43 PolarHBondContact O-N 2.79Å; I40-V43 PolarHBondContact O-N 2.77Å; V43-L46 PolarHBondContact O-N 2.78Å; V43-L47 HydrophobicContact CG1-CD1 4.13Å; V43-L47 WeakPolarHBondContact O-CG 3.39Å; V43-L47 PolarHBondContact O-N 2.86Å
44	V	82.3	Confident	76.8	Confident	81 Å²	81	99.2 Å²	99.2	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-66.3	-42.5	177	174.1	0	0	0	0	110.9	I40 V41 L46 L47 V48	I40-V44 HydrophobicContact CG2-CG2 4.45Å; I40-V44 VanDerWaalsContact O-CG2 3.3Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 3.05Å; V41-V44 PolarHBondContact O-N 3.2Å; V44-L46 VanDerWaalsContact C-N 3.33Å; V44-L46 PolarHBondContact O-N 3.24Å; V44-L47 PolarHBondContact O-N 3.16Å; V44-V48 WeakPolarHBondContact O-CG2 3.5Å; V44-V48 PolarHBondContact O-N 3.39Å
45	S	80.1	Confident	78.4	Confident	70 Å²	70	96 Å²	96	49%	0.49	53%	0.534	S	S	.	.	H	α-helix	trans	-62.3	-38.9	174.9	-65.5	0	0	0	0	112.5	V41 L42 V48 L49	V41-S45 WeakPolarHBondContact O-CB 3.37Å; V41-S45 PolarHBondContact O-N 2.66Å; V41-S45 PolarHBondContact O-OG 2.82Å; L42-S45 PolarHBondContact O-N 2.81Å; S45-V48 PolarHBondContact O-N 2.79Å; S45-L49 WeakPolarHBondContact O-CB 3.41Å; S45-L49 PolarHBondContact O-N 2.85Å
46	L	85.3	Confident	80	Confident	105 Å²	105	97.9 Å²	97.9	55%	0.55	53%	0.528	S	S	.	.	H	α-helix	trans	-65.4	-43.2	176.1	-165.4	80.1	0	0	0	111.6	L42 V43 V44 V48 L49 I50	L42-L46 WeakPolarHBondContact O-CB 3.3Å; L42-L46 PolarHBondContact O-N 3.4Å; V43-L46 PolarHBondContact O-N 2.78Å; V44-L46 VanDerWaalsContact C-N 3.33Å; V44-L46 PolarHBondContact O-N 3.24Å; L46-V48 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-I50 HydrophobicContact CG-CD1 4.28Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.28Å
47	L	85.8	Confident	81.1	Confident	99 Å²	99	98.1 Å²	98.1	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-39.4	178.1	-74.1	170.4	0	0	0	112.3	V43 V44 L49 I50 F51	V43-L47 HydrophobicContact CG1-CD1 4.13Å; V43-L47 WeakPolarHBondContact O-CG 3.39Å; V43-L47 PolarHBondContact O-N 2.86Å; V44-L47 PolarHBondContact O-N 3.16Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-I50 PolarHBondContact O-N 2.81Å; L47-F51 PolarHBondContact O-N 2.91Å
48	V	90.2	Very high	82.1	Confident	86 Å²	86	98.6 Å²	98.6	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-40.7	174	172.7	0	0	0	0	110.8	V44 S45 L46 F51 T52	V44-V48 WeakPolarHBondContact O-CG2 3.5Å; V44-V48 PolarHBondContact O-N 3.39Å; S45-V48 PolarHBondContact O-N 2.79Å; L46-V48 PolarHBondContact O-N 2.89Å; V48-F51 PolarHBondContact O-N 3.3Å; V48-T52 HydrophobicContact CG1-CG2 4.45Å; V48-T52 WeakPolarHBondContact O-CG2 3.36Å; V48-T52 PolarHBondContact O-N 3.27Å; V48-T52 PolarHBondContact O-OG1 2.86Å
49	L	89.4	Confident	82.9	Confident	99 Å²	99	97.2 Å²	97.2	52%	0.518	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-39.3	177.6	-161.6	115.7	0	0	0	112.4	S45 L46 L47 T52 L53	S45-L49 WeakPolarHBondContact O-CB 3.41Å; S45-L49 PolarHBondContact O-N 2.85Å; L46-L49 PolarHBondContact O-N 3.4Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L49-T52 WeakPolarHBondContact CA-OG1 3.07Å; L49-T52 PolarHBondContact O-OG1 2.85Å; L49-L53 HydrophobicContact CD2-CD1 3.93Å; L49-L53 HydrophobicContact CG-CD1 4.48Å; L49-L53 WeakPolarHBondContact O-CB 3.39Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.43Å; L49-L53 PolarHBondContact O-N 2.82Å
50	I	88.8	Confident	83.2	Confident	81 Å²	81	100.9 Å²	100.9	42%	0.415	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-44.5	174.6	-67.7	168.6	0	0	0	110.1	L46 L47 T52 L53 L54	L46-I50 HydrophobicContact CG-CD1 4.28Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.28Å; L47-I50 PolarHBondContact O-N 2.81Å; I50-T52 PolarHBondContact O-N 2.81Å; I50-L53 PolarHBondContact O-N 3.26Å; I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 PolarHBondContact O-N 3.35Å
51	F	89.9	Confident	83	Confident	156 Å²	156	100 Å²	100	68%	0.684	52%	0.516	S	S	*	.	H	α-helix	trans	-64.9	-39.3	179.2	-109.6	-83.1	0	0	0	112.9	L47 V48 L54 A55	L47-F51 PolarHBondContact O-N 2.91Å; V48-F51 PolarHBondContact O-N 3.3Å; F51-L54 PolarHBondContact O-N 3.38Å; F51-A55 VanDerWaalsContact O-CB 3.31Å; F51-A55 WeakPolarHBondContact O-CB 3.21Å; F51-A55 PolarHBondContact O-N 3.22Å
52	T	86.4	Confident	82.7	Confident	79 Å²	79	104.4 Å²	104.4	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-68.5	-38.5	176.6	54.6	0	0	0	0	111.8	V48 L49 I50 A55 W56	V48-T52 HydrophobicContact CG1-CG2 4.45Å; V48-T52 WeakPolarHBondContact O-CG2 3.36Å; V48-T52 PolarHBondContact O-N 3.27Å; V48-T52 PolarHBondContact O-OG1 2.86Å; L49-T52 WeakPolarHBondContact CA-OG1 3.07Å; L49-T52 PolarHBondContact O-OG1 2.85Å; I50-T52 PolarHBondContact O-N 2.81Å; T52-A55 PolarHBondContact O-N 2.98Å; T52-W56 VanDerWaalsContact O-CB 3.28Å; T52-W56 WeakPolarHBondContact O-CB 3.32Å; T52-W56 PolarHBondContact O-N 3.49Å
53	L	86.6	Confident	81.6	Confident	94 Å²	94	105.5 Å²	105.5	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-39.5	172.8	-74.8	170	0	0	0	112.3	L49 I50 W56 Y57	L49-L53 HydrophobicContact CD2-CD1 3.93Å; L49-L53 HydrophobicContact CG-CD1 4.48Å; L49-L53 WeakPolarHBondContact O-CB 3.39Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.43Å; L49-L53 PolarHBondContact O-N 2.82Å; I50-L53 PolarHBondContact O-N 3.26Å; L53-W56 PolarHBondContact O-N 3.35Å; L53-Y57 VanDerWaalsContact O-CB 3.29Å; L53-Y57 WeakPolarHBondContact O-CB 3.47Å; L53-Y57 PolarHBondContact O-N 3.1Å
54	L	85.9	Confident	80.2	Confident	97 Å²	97	108 Å²	108	51%	0.508	54%	0.541	S	S	.	.	H	α-helix	trans	-67	-43.8	176.5	-133.3	107.1	0	0	0	111.3	I50 F51 W56 Y57 I58	I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 PolarHBondContact O-N 3.35Å; F51-L54 PolarHBondContact O-N 3.38Å; L54-W56 VanDerWaalsContact C-N 3.35Å; L54-Y57 PolarHBondContact O-N 2.89Å; L54-I58 HydrophobicContact CD2-CD1 4.12Å; L54-I58 WeakPolarHBondContact O-CB 3.36Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.42Å; L54-I58 PolarHBondContact O-N 2.9Å
55	A	84.9	Confident	78.3	Confident	47 Å²	47	113.5 Å²	113.5	39%	0.388	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-41.3	175.8	0	0	0	0	0	111.4	F51 T52 I58 L59	F51-A55 VanDerWaalsContact O-CB 3.31Å; F51-A55 WeakPolarHBondContact O-CB 3.21Å; F51-A55 PolarHBondContact O-N 3.22Å; T52-A55 PolarHBondContact O-N 2.98Å; A55-I58 PolarHBondContact O-N 3.45Å; A55-L59 WeakPolarHBondContact O-CB 3.35Å; A55-L59 VanDerWaalsContact O-CG 3.26Å; A55-L59 WeakPolarHBondContact O-CG 3.49Å; A55-L59 PolarHBondContact O-N 3.47Å
56	W	87.9	Confident	76.2	Confident	148 Å²	148	115.7 Å²	115.7	56%	0.561	57%	0.571	S	S	*	*	H	α-helix	trans	-63.5	-42.7	173.8	-178.1	74.2	0	0	0	112	T52 L53 L54 L59 R60	T52-W56 VanDerWaalsContact O-CB 3.28Å; T52-W56 WeakPolarHBondContact O-CB 3.32Å; T52-W56 PolarHBondContact O-N 3.49Å; L53-W56 PolarHBondContact O-N 3.35Å; L54-W56 VanDerWaalsContact C-N 3.35Å; W56-L59 PolarHBondContact O-N 2.71Å; W56-R60 VanDerWaalsContact O-CB 3.26Å; W56-R60 WeakPolarHBondContact O-CB 3.16Å; W56-R60 PolarHBondContact O-N 2.72Å
57	Y	83.8	Confident	73.7	Confident	143 Å²	143	114.7 Å²	114.7	56%	0.561	58%	0.578	S	S	*	*	H	α-helix	trans	-62.6	-43.1	175.6	-177.7	-104.1	0	0	0	112.1	L53 L54 R60 L61	L53-Y57 VanDerWaalsContact O-CB 3.29Å; L53-Y57 WeakPolarHBondContact O-CB 3.47Å; L53-Y57 PolarHBondContact O-N 3.1Å; L54-Y57 PolarHBondContact O-N 2.89Å; Y57-R60 PolarHBondContact O-N 2.77Å; Y57-L61 HydrophobicContact CD1-CD1 3.69Å; Y57-L61 HydrophobicContact CE1-CD1 3.28Å; Y57-L61 HydrophobicContact CE1-CG 4.31Å; Y57-L61 HydrophobicContact CG-CD1 4.48Å; Y57-L61 WeakPolarHBondContact O-CB 3.35Å; Y57-L61 PolarHBondContact O-N 2.81Å
58	I	80.8	Confident	71.4	Confident	94 Å²	94	116.5 Å²	116.5	48%	0.482	59%	0.593	S	S	.	*	H	α-helix	trans	-66.7	-41.5	176.5	-68.5	166.8	0	0	0	111.2	L54 A55 R60 L61 K62	L54-I58 HydrophobicContact CD2-CD1 4.12Å; L54-I58 WeakPolarHBondContact O-CB 3.36Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.42Å; L54-I58 PolarHBondContact O-N 2.9Å; A55-I58 PolarHBondContact O-N 3.45Å; I58-R60 VanDerWaalsContact C-N 3.32Å; I58-R60 PolarHBondContact O-N 3.46Å; I58-L61 PolarHBondContact O-N 2.98Å; I58-K62 WeakPolarHBondContact O-CB 3.37Å; I58-K62 PolarHBondContact O-N 3.36Å
59	L	77.4	Confident	68.4	Low	105 Å²	105	117.6 Å²	117.6	55%	0.55	60%	0.6	S	S	.	*	H	α-helix	trans	-66	-35.6	175.1	-75.2	168.4	0	0	0	111.8	A55 W56 K62 N63	A55-L59 WeakPolarHBondContact O-CB 3.35Å; A55-L59 VanDerWaalsContact O-CG 3.26Å; A55-L59 WeakPolarHBondContact O-CG 3.49Å; A55-L59 PolarHBondContact O-N 3.47Å; W56-L59 PolarHBondContact O-N 2.71Å; L59-K62 PolarHBondContact O-N 3.32Å; L59-N63 WeakPolarHBondContact O-CB 3.44Å; L59-N63 PolarHBondContact O-N 2.85Å
60	R	74.9	Confident	65.7	Low	147 Å²	147	119.3 Å²	119.3	56%	0.555	61%	0.614	S	S	*	*	H	α-helix	trans	-68.2	-39.6	174.6	-161.8	179.4	-174.3	-165.1	0.6	111.7	W56 Y57 I58 K62 N63 Q64	W56-R60 VanDerWaalsContact O-CB 3.26Å; W56-R60 WeakPolarHBondContact O-CB 3.16Å; W56-R60 PolarHBondContact O-N 2.72Å; Y57-R60 PolarHBondContact O-N 2.77Å; I58-R60 VanDerWaalsContact C-N 3.32Å; I58-R60 PolarHBondContact O-N 3.46Å; R60-K62 VanDerWaalsContact C-N 3.35Å; R60-N63 PolarHBondContact O-N 2.87Å; R60-Q64 PolarHBondContact O-N 2.88Å
61	L	67.2	Low	62.9	Low	91 Å²	91	121.1 Å²	121.1	48%	0.476	63%	0.629	S	S	.	*	H	α-helix	trans	-63.6	-38.9	170.8	-86.7	162.8	0	0	0	111.9	Y57 I58	Y57-L61 HydrophobicContact CD1-CD1 3.69Å; Y57-L61 HydrophobicContact CE1-CD1 3.28Å; Y57-L61 HydrophobicContact CE1-CG 4.31Å; Y57-L61 HydrophobicContact CG-CD1 4.48Å; Y57-L61 WeakPolarHBondContact O-CB 3.35Å; Y57-L61 PolarHBondContact O-N 2.81Å; I58-L61 PolarHBondContact O-N 2.98Å
62	K	70	Confident	60	Low	172 Å²	172	120.5 Å²	120.5	75%	0.748	64%	0.638	S	S	*	*	H	α-helix	trans	-74.4	-26.6	-179.6	-160.2	175.7	178.9	-178.4	0	113.3	I58 L59 R60	I58-K62 WeakPolarHBondContact O-CB 3.37Å; I58-K62 PolarHBondContact O-N 3.36Å; L59-K62 PolarHBondContact O-N 3.32Å; R60-K62 VanDerWaalsContact C-N 3.35Å
63	N	55	Low	57.2	Low	138 Å²	138	124 Å²	124	74%	0.738	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-2.3	176.6	-83.4	-7.5	0	0	0	114.4	L59 R60 K65	L59-N63 WeakPolarHBondContact O-CB 3.44Å; L59-N63 PolarHBondContact O-N 2.85Å; R60-N63 PolarHBondContact O-N 2.87Å; N63-K65 PolarHBondContact O-N 3.26Å
64	Q	52.5	Low	54.4	Low	137 Å²	137	128.8 Å²	128.8	64%	0.64	67%	0.671	S	S	*	*			trans	-80.9	90.5	164.5	-76.1	-173.1	-12.7	0	0	109.1	R60	R60-Q64 PolarHBondContact O-N 2.88Å
65	K	41.3	Very low	51.7	Low	195 Å²	195	133.8 Å²	133.8	85%	0.848	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-57.9	133.8	158.8	-74.6	-176.8	176.7	-179	0	107.8	N63 A67	N63-K65 PolarHBondContact O-N 3.26Å; K65-A67 PolarHBondContact O-N 3.35Å; K65-A67 VanDerWaalsContact O-N 3.17Å
66	P	36.2	Very low	49.1	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-65.1	120.6	178.6	26.3	-31.4	0	0	0	108.9	V68	P66-V68 PolarHBondContact O-N 3.04Å
67	A	32.9	Very low	46.3	Very low	83 Å²	83	137.2 Å²	137.2	69%	0.686	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-60.2	127.5	149.5	0	0	0	0	0	106.2	K65 V69	K65-A67 PolarHBondContact O-N 3.35Å; K65-A67 VanDerWaalsContact O-N 3.17Å; A67-V69 PolarHBondContact O-N 2.91Å
68	V	36.3	Very low	43.6	Very low	138 Å²	138	137.6 Å²	137.6	84%	0.836	73%	0.727	S	S	*	*			trans	-59.4	103.1	179	175.5	0	0	0	0	108.1	P66	P66-V68 PolarHBondContact O-N 3.04Å
69	V	29.1	Very low	40.9	Very low	109 Å²	109	136.7 Å²	136.7	66%	0.661	74%	0.741	S	S	*	*			trans	-118.3	104.8	170.4	173.5	0	0	0	0	105.5	A67 T71	A67-V69 PolarHBondContact O-N 2.91Å; V69-T71 HydrophobicContact CG1-CG2 3.82Å; V69-T71 PolarHBondContact O-N 2.78Å
70	T	32.8	Very low	38.5	Very low	134 Å²	134	139.5 Å²	139.5	82%	0.822	75%	0.754	S	S	*	*			trans	-73.3	97.5	169.1	38.2	0	0	0	0	108.6
71	T	29.2	Very low	36.2	Very low	119 Å²	119	140.2 Å²	140.2	73%	0.73	77%	0.769	S	S	*	*			trans	-117.8	99.7	166	41	0	0	0	0	109.3	V69	V69-T71 HydrophobicContact CG1-CG2 3.82Å; V69-T71 PolarHBondContact O-N 2.78Å
72	V	29.6	Very low	34.2	Very low	143 Å²	143	144 Å²	144	87%	0.867	78%	0.784	S	S	*	*			trans	-79.3	108.7	161	174.7	0	0	0	0	106.2
73	D	26.3	Very low	32.2	Very low	153 Å²	153	145.5 Å²	145.5	82%	0.818	79%	0.793	S	S	*	*			trans	-153.6	90.6	157.6	-125.8	-18.1	0	0	0	109.7
74	K	29.2	Very low	30.8	Very low	195 Å²	195	147.3 Å²	147.3	85%	0.848	80%	0.798	S	S	*	*			trans	-128.3	109.1	157.4	-88.7	-171.3	177.8	179.5	0	107.6	I76	K74-I76 PolarHBondContact O-N 2.84Å
75	K	29.1	Very low	29.6	Very low	202 Å²	202	150 Å²	150	88%	0.878	81%	0.81	S	S	*	*			trans	-36.6	126.4	163.3	-72.7	173.6	172	178.1	0	111.2
76	I	28.8	Very low	28.8	Very low	154 Å²	154	148.4 Å²	148.4	79%	0.79	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-99.7	127.6	163	-62.1	173.4	0	0	0	107.1	K74	K74-I76 PolarHBondContact O-N 2.84Å
77	P	29.3	Very low	28.2	Very low	112 Å²	112	145.9 Å²	145.9	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.7	135.6	163.3	21.3	-9.3	0	0	0	110.3
78	N	26.8	Very low	27.8	Very low	152 Å²	152	153.2 Å²	153.2	81%	0.813	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65	133.3	160.7	-76.8	-22.1	0	0	0	109.4
79	G	24.8	Very low	27.2	Very low	74 Å²	74	152 Å²	152	76%	0.763	81%	0.814	S	S	*	*			trans	-177.1	113.3	173.9	0	0	0	0	0	113.1
80	I	27.6	Very low	27	Very low	164 Å²	164	151.7 Å²	151.7	84%	0.841	82%	0.817	S	S	*	*			trans	-55.3	147	170.6	-65.4	151.7	0	0	0	111.7
81	L	25.7	Very low	26.8	Very low	163 Å²	163	154.1 Å²	154.1	85%	0.853	82%	0.819	S	S	*	*			trans	-140.1	98.7	156.5	-92.1	155.6	0	0	0	105.7
82	E	26.4	Very low	26.7	Very low	171 Å²	171	153.5 Å²	153.5	80%	0.799	82%	0.819	S	S	*	*				44.8	95.8	95.2	-90.6	-176.7	174.3	0	0	112.6	Q84	E82-Q84 PolarHBondContact O-N 2.65Å
83	E	27.8	Very low	26.5	Very low	202 Å²	202	153.1 Å²	153.1	94%	0.944	81%	0.811	S	S	*	*			trans	-62	119.8	159.2	-76.3	177.3	146.3	0	0	108.7
84	Q	24.4	Very low	26.5	Very low	177 Å²	177	155.2 Å²	155.2	83%	0.827	81%	0.809	S	S	*	*			trans	-124.2	113.7	163.7	-156.6	172.2	11.4	0	0	108.1	E82	E82-Q84 PolarHBondContact O-N 2.65Å
85	E	27.9	Very low	26.3	Very low	192 Å²	192	151.9 Å²	151.9	90%	0.897	81%	0.805	S	S	*	*			trans	-51.5	129.5	170.9	-64.7	177	141.3	0	0	111.3
86	I	24.3	Very low	26.1	Very low	162 Å²	162	149.1 Å²	149.1	83%	0.831	81%	0.805	S	S	*	*			trans	-139.8	121.7	152.1	-58.3	-176.4	0	0	0	108.7
87	G	23.8	Very low	26	Very low	65 Å²	65	147.7 Å²	147.7	67%	0.67	80%	0.804	S	S	*	*			trans	-77.4	168.3	-178.4	0	0	0	0	0	116
88	Y	23.6	Very low	26	Very low	237 Å²	237	147.5 Å²	147.5	93%	0.929	80%	0.802	S	S	*	*			trans	18.3	119.5	156.6	-75.3	-88.9	0	0	0	120.3
89	S	24.3	Very low	26.1	Very low	113 Å²	113	146.2 Å²	146.2	79%	0.79	80%	0.802	S	S	*	*				-173.2	125.3	112.5	57.2	0	0	0	0	114.1
90	S	26.3	Very low	26.2	Very low	102 Å²	102	151.6 Å²	151.6	71%	0.713	81%	0.807	S	S	*	*			trans	0.6	147.9	154.9	56	0	0	0	0	125.5
91	E	27.9	Very low	26.2	Very low	185 Å²	185	152.5 Å²	152.5	86%	0.864	81%	0.808	S	S	*	*			trans	75.2	137.7	145.7	-75.9	174.1	-179.8	0	0	118.4
92	S	27.1	Very low	26.2	Very low	106 Å²	106	153.5 Å²	153.5	74%	0.741	81%	0.808	S	S	*	*			cis	-172.5	142.4	6.5	49.5	0	0	0	0	110
93	L	25.6	Very low	26.4	Very low	134 Å²	134	151.2 Å²	151.2	70%	0.702	81%	0.806	S	S	*	*			trans	46.4	117.7	141	-143.1	69.8	0	0	0	121.3
94	Y	26.2	Very low	26.4	Very low	197 Å²	197	147.5 Å²	147.5	77%	0.773	80%	0.797	S	S	*	*				172.2	130.6	110.2	-92.6	-72.2	0	0	0	113.3
95	T	24.9	Very low	26.9	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	79%	0.793	S	S	*	*			trans	57.4	107.7	152.6	44.7	0	0	0	0	121.3
96	V	25.3	Very low	27.3	Very low	145 Å²	145	143.2 Å²	143.2	88%	0.879	79%	0.789	S	S	*	*			trans	-84.4	125.5	165.1	176.6	0	0	0	0	109.9
97	V	26.8	Very low	27.7	Very low	124 Å²	124	142.7 Å²	142.7	75%	0.752	79%	0.788	S	S	*	*			trans	-118.5	128.4	162	-179.9	0	0	0	0	106.6
98	P	28.6	Very low	28.3	Very low	107 Å²	107	145.1 Å²	145.1	70%	0.695	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.1	136.7	-177.8	30.6	-30.5	0	0	0	110.7
99	P	28.4	Very low	29	Very low	125 Å²	125	145.4 Å²	145.4	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.6	135.5	169.2	24.6	-15.8	0	0	0	110.7
100	E	27.1	Very low	29.4	Very low	187 Å²	187	145.2 Å²	145.2	87%	0.874	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-52.9	138.3	179.4	-62.9	174.2	149.8	0	0	113	Q102	E100-Q102 PolarHBondContact O-N 2.79Å; E100-Q102 VanDerWaalsContact O-N 3.1Å
101	Q	28.6	Very low	30	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	79%	0.794	S	S	*	*			trans	-67.5	101	168.2	-72.8	172.9	-25.2	0	0	109.8	T103	Q101-T103 PolarHBondContact O-N 2.71Å
102	Q	25.2	Very low	30.7	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	79%	0.789	S	S	*	*			trans	-79.7	93.4	157.5	-91.3	-176.9	-14.2	0	0	109.1	E100 V104	E100-Q102 PolarHBondContact O-N 2.79Å; E100-Q102 VanDerWaalsContact O-N 3.1Å; Q102-V104 PolarHBondContact O-N 3.28Å; Q102-V104 VanDerWaalsContact O-N 3.1Å
103	T	30.4	Very low	31.5	Very low	124 Å²	124	142.1 Å²	142.1	76%	0.761	79%	0.791	S	S	*	*			trans	-60.2	104.7	162.1	31.6	0	0	0	0	109.6	Q101 V105	Q101-T103 PolarHBondContact O-N 2.71Å; T103-V105 PolarHBondContact O-N 2.82Å
104	V	28.3	Very low	33	Very low	123 Å²	123	140.8 Å²	140.8	75%	0.745	79%	0.793	S	S	*	*			trans	-75.7	106.6	165.3	-176.9	0	0	0	0	107.3	Q102 L106	Q102-V104 PolarHBondContact O-N 3.28Å; Q102-V104 VanDerWaalsContact O-N 3.1Å; V104-L106 PolarHBondContact O-N 2.97Å; V104-L106 VanDerWaalsContact O-N 3.09Å
105	V	34.7	Very low	35.2	Very low	123 Å²	123	137 Å²	137	75%	0.745	78%	0.78	S	S	*	*			trans	-64.5	107.8	170.3	177.6	0	0	0	0	107.8	T103 L107	T103-V105 PolarHBondContact O-N 2.82Å; V105-L107 PolarHBondContact O-N 3.31Å
106	L	36.4	Very low	37.8	Very low	156 Å²	156	136 Å²	136	82%	0.817	78%	0.775	S	S	*	*			trans	-68.2	109.4	168.6	-69.5	171.2	0	0	0	107.9	V104	V104-L106 PolarHBondContact O-N 2.97Å; V104-L106 VanDerWaalsContact O-N 3.09Å
107	L	33.1	Very low	41	Very low	152 Å²	152	130.7 Å²	130.7	80%	0.796	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-59.7	137.2	167.5	-80.8	160.3	0	0	0	108.9	V105 R109	V105-L107 PolarHBondContact O-N 3.31Å; L107-R109 PolarHBondContact O-N 3.37Å
108	P	34.6	Very low	44.3	Very low	116 Å²	116	131 Å²	131	75%	0.753	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-57.8	128.9	174.9	-17	28.4	0	0	0	109.2	S110	P108-S110 PolarHBondContact O-N 2.92Å; P108-S110 VanDerWaalsContact O-N 3.16Å
109	R	40.3	Very low	47.5	Very low	242 Å²	242	128.6 Å²	128.6	91%	0.913	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-55.5	121	168.9	-84.5	177.7	168.4	158.2	-4.3	108.1	L107	L107-R109 PolarHBondContact O-N 3.37Å
110	S	32.1	Very low	50.8	Low	109 Å²	109	123 Å²	123	76%	0.762	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-54.1	130.2	165.1	-46.2	0	0	0	0	108.3	P108 S112	P108-S110 PolarHBondContact O-N 2.92Å; P108-S110 VanDerWaalsContact O-N 3.16Å; S110-S112 PolarHBondContact O-N 3.48Å
111	P	38	Very low	54.2	Low	126 Å²	126	116.6 Å²	116.6	82%	0.818	66%	0.658	S	S	*	*			trans	-63.3	112.1	176.3	24.2	-29.9	0	0	0	107.9	A113	P111-A113 PolarHBondContact O-N 3.44Å
112	S	42.3	Very low	57.4	Low	106 Å²	106	108.2 Å²	108.2	74%	0.741	62%	0.62	S	S	*	*			trans	-55.1	130.2	163	52	0	0	0	0	107	S110 S114	S110-S112 PolarHBondContact O-N 3.48Å; S112-S114 PolarHBondContact O-N 3.22Å
113	A	43.9	Very low	60.8	Low	97 Å²	97	104.4 Å²	104.4	80%	0.802	61%	0.605	S	S	*	*			trans	-43.3	121.1	172.1	0	0	0	0	0	108.6	P111 K115	P111-A113 PolarHBondContact O-N 3.44Å; A113-K115 PolarHBondContact O-N 3Å
114	S	57.8	Low	63.9	Low	105 Å²	105	103 Å²	103	73%	0.734	59%	0.59	S	S	*	*			trans	-62	100.3	-171.3	59.4	0	0	0	0	109	S112 T116	S112-S114 PolarHBondContact O-N 3.22Å; S114-T116 PolarHBondContact O-N 3.25Å; S114-T116 PolarHBondContact O-OG1 3.32Å
115	K	72	Confident	67.2	Low	117 Å²	117	97.2 Å²	97.2	51%	0.509	55%	0.554	S	S	.	*			trans	-59.9	114.4	174.4	-161.5	170.8	176.8	-174.4	0	105.9	A113 Y117 E142	A113-K115 PolarHBondContact O-N 3Å; K115-Y117 HydrophobicContact CB-CE2 4.19Å; K115-Y117 HydrophobicContact CD-CE1 4.47Å; K115-Y117 HydrophobicContact CG-CE2 4.46Å; K115-Y117 WeakPolarHBondContact O-CD2 3.25Å; K115-Y117 WeakPolarHBondContact O-CE2 3.25Å; K115-E142 IonicContact NZ-OE2 2.9Å; K115-E142 PolarHBondContact NZ-OE2 2.66Å
116	T	81.1	Confident	70.1	Confident	106 Å²	106	96.6 Å²	96.6	65%	0.65	54%	0.543	S	S	*	.			trans	-86.6	127.9	-179.3	-53.8	0	0	0	0	107.4	S114 L118	S114-T116 PolarHBondContact O-N 3.25Å; S114-T116 PolarHBondContact O-OG1 3.32Å; T116-L118 HydrophobicContact CG2-CD2 4.02Å
117	Y	92.3	Very high	72.9	Confident	33 Å²	33	94.2 Å²	94.2	13%	0.129	53%	0.528	C	S	.	.			trans	-102.6	114.8	176.1	-60.9	-86.9	0	0	0	107.6	K115 E143 S146 F369	K115-Y117 HydrophobicContact CB-CE2 4.19Å; K115-Y117 HydrophobicContact CD-CE1 4.47Å; K115-Y117 HydrophobicContact CG-CE2 4.46Å; K115-Y117 WeakPolarHBondContact O-CD2 3.25Å; K115-Y117 WeakPolarHBondContact O-CE2 3.25Å; Y117-E143 HydrophobicContact CD1-CB 4.14Å; Y117-E143 HydrophobicContact CD1-CG 3.59Å; Y117-E143 HydrophobicContact CE1-CB 3.53Å; Y117-E143 HydrophobicContact CE1-CG 3.5Å; Y117-E143 HydrophobicContact CE2-CG 4.46Å; Y117-E143 HydrophobicContact CG-CG 4.11Å; Y117-E143 WeakPolarHBondContact OH-CA 3.27Å; Y117-S146 PolarHBondContact OH-OG 3.28Å; Y117-F369 HydrophobicContact CD2-CD1 4.07Å; Y117-F369 AromaticContact CD2-CD2 3.7Å; Y117-F369 HydrophobicContact CD2-CD2 3.7Å; Y117-F369 AromaticContact CD2-CE1 3.86Å; Y117-F369 HydrophobicContact CD2-CE1 3.86Å; Y117-F369 AromaticContact CD2-CE2 3.46Å; Y117-F369 HydrophobicContact CD2-CE2 3.46Å; Y117-F369 VanDerWaalsContact CD2-CE2 3.46Å; Y117-F369 AromaticContact CD2-CG 4Å; Y117-F369 HydrophobicContact CD2-CG 4Å; Y117-F369 AromaticContact CD2-CZ 3.55Å; Y117-F369 HydrophobicContact CD2-CZ 3.55Å; Y117-F369 HydrophobicContact CE2-CD2 4.33Å; Y117-F369 AromaticContact CE2-CE2 3.81Å; Y117-F369 HydrophobicContact CE2-CE2 3.81Å; Y117-F369 HydrophobicContact CE2-CZ 4.06Å; Y117-F369 HydrophobicContact CG-CD1 4.28Å; Y117-F369 AromaticContact CG-CD2 3.9Å; Y117-F369 HydrophobicContact CG-CD2 3.9Å; Y117-F369 HydrophobicContact CG-CE2 4.15Å; Y117-F369 AromaticContact CG-CG 3.97Å; Y117-F369 HydrophobicContact CG-CG 3.97Å; Y117-F369 HydrophobicContact CG-CZ 4.46Å
118	L	94.3	Very high	75.9	Confident	129 Å²	129	89.9 Å²	89.9	68%	0.675	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-91.5	155.2	-176.6	-62.7	175.4	0	0	0	110.9	T116	T116-L118 HydrophobicContact CG2-CD2 4.02Å
119	P	97.3	Very high	78.8	Confident	57 Å²	57	86.9 Å²	86.9	37%	0.37	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-54.3	143.9	168.8	-24.2	33.3	0	0	0	112.1	I365 D367	P119-I365 HydrophobicContact CB-CB 4.44Å; P119-I365 HydrophobicContact CB-CD1 3.95Å; P119-D367 HydrophobicContact CB-CB 3.97Å; P119-D367 HydrophobicContact CG-CB 3.97Å
120	I	98.1	Very high	81.4	Confident	8 Å²	8	82.6 Å²	82.6	4%	0.041	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.3	-176.4	-54.9	171.6	0	0	0	109	H124 L125 E128 I365 V366 Y393	I120-H124 HydrophobicContact CG2-CB 4.44Å; I120-L125 HydrophobicContact CG2-CD1 4.47Å; I120-E128 HydrophobicContact CD1-CB 4.24Å; I120-E128 HydrophobicContact CD1-CG 4.36Å; I120-E128 HydrophobicContact CG2-CB 4.21Å; I120-E128 HydrophobicContact CG2-CG 3.89Å; I120-I365 CarbonylContact O-C 3.56Å; I120-I365 VanDerWaalsContact O-CA 3.26Å; I120-I365 WeakPolarHBondContact O-CA 3.39Å; I120-V366 HydrophobicContact CB-CG2 4Å; I120-V366 PolarHBondContact N-O 3.11Å; I120-V366 PolarHBondContact O-N 2.95Å; I120-Y393 HydrophobicContact CD1-CE1 3.67Å
121	P	98	Very high	84.4	Confident	53 Å²	53	80.7 Å²	80.7	34%	0.344	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	137	166.7	-26	37.1	0	0	0	111.6	D123 H124 L125	P121-D123 WeakPolarHBondContact CB-OD1 3.5Å; P121-D123 PolarHBondContact O-N 3.25Å; P121-H124 PolarHBondContact O-N 3.19Å; P121-L125 PolarHBondContact O-N 2.89Å
122	V	96	Very high	87.1	Confident	8 Å²	8	75.8 Å²	75.8	5%	0.048	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-62.1	-30.4	-172.2	-65.7	0	0	0	0	113.2	H124 L125 M360 Q364 Y400	V122-H124 VanDerWaalsContact C-N 3.26Å; V122-H124 PolarHBondContact O-N 3.29Å; V122-L125 WeakPolarHBondContact O-CB 3.47Å; V122-L125 PolarHBondContact O-N 2.86Å; V122-M360 HydrophobicContact CG1-CB 4.43Å; V122-M360 HydrophobicContact CG1-CE 4.47Å; V122-M360 HydrophobicContact CG1-CG 3.63Å; V122-Q364 VanDerWaalsContact CG1-C 3.43Å; V122-Q364 WeakPolarHBondContact CG1-O 3.2Å; V122-Q364 HydrophobicContact CG2-CB 4.1Å; V122-Q364 WeakPolarHBondContact CG2-O 3.19Å; V122-Q364 PolarHBondContact N-O 3.3Å; V122-Q364 VanDerWaalsContact N-O 3.11Å; V122-Y400 HydrophobicContact CB-CD2 3.86Å; V122-Y400 HydrophobicContact CB-CE2 3.72Å; V122-Y400 HydrophobicContact CG2-CD2 4.36Å; V122-Y400 HydrophobicContact CG2-CE2 3.82Å; V122-Y400 VanDerWaalsContact O-CE1 3.3Å; V122-Y400 WeakPolarHBondContact O-CE1 3.4Å
123	D	95.8	Very high	89.5	Confident	102 Å²	102	72.8 Å²	72.8	55%	0.545	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-67.3	-24.5	174.7	61.1	-34.2	0	0	0	113.4	P121 Y400	P121-D123 WeakPolarHBondContact CB-OD1 3.5Å; P121-D123 PolarHBondContact O-N 3.25Å; D123-Y400 WeakPolarHBondContact CA-OH 3.3Å
124	H	96.6	Very high	91.8	Very high	96 Å²	96	70.2 Å²	70.2	44%	0.444	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-94.3	-3.2	175.3	-68.6	-164	0	0	0	113	I120 P121 V122 E126 E127 E128	I120-H124 HydrophobicContact CG2-CB 4.44Å; P121-H124 PolarHBondContact O-N 3.19Å; V122-H124 VanDerWaalsContact C-N 3.26Å; V122-H124 PolarHBondContact O-N 3.29Å; H124-E126 PolarHBondContact O-N 2.97Å; H124-E127 PolarHBondContact O-N 3.27Å; H124-E128 WeakPolarHBondContact O-CB 3.24Å; H124-E128 PolarHBondContact O-N 3.47Å
125	L	96.7	Very high	93.4	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-39.4	-173.1	-177.2	58	0	0	0	113	I120 P121 V122 Y129 M360 V366 Y393 L396 L397 Y400	I120-L125 HydrophobicContact CG2-CD1 4.47Å; P121-L125 PolarHBondContact O-N 2.89Å; V122-L125 WeakPolarHBondContact O-CB 3.47Å; V122-L125 PolarHBondContact O-N 2.86Å; L125-Y129 VanDerWaalsContact O-CB 3.25Å; L125-Y129 WeakPolarHBondContact O-CB 3.44Å; L125-Y129 PolarHBondContact O-N 3.26Å; L125-M360 HydrophobicContact CD2-CE 3.96Å; L125-V366 HydrophobicContact CD1-CG2 3.86Å; L125-Y393 HydrophobicContact CD1-CD1 4.28Å; L125-L396 HydrophobicContact CD2-CB 4.16Å; L125-L397 HydrophobicContact CG-CD1 4.29Å; L125-Y400 HydrophobicContact CD2-CG 4.48Å
126	E	95.1	Very high	94.2	Very high	111 Å²	111	72.8 Å²	72.8	52%	0.519	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-43.5	178.4	-173.2	176.2	-176.6	0	0	111.8	H124 R130 L397	H124-E126 PolarHBondContact O-N 2.97Å; E126-R130 WeakPolarHBondContact O-CB 3.01Å; E126-R130 PolarHBondContact O-N 3.32Å; E126-L397 HydrophobicContact CB-CD1 3.76Å; E126-L397 HydrophobicContact CG-CD1 4.19Å
127	E	95.4	Very high	94.8	Very high	106 Å²	106	68.5 Å²	68.5	50%	0.495	35%	0.353	S	S	.	.	H	α-helix	trans	-66.4	-47.4	178.2	-179.7	168.3	-156.9	0	0	111.4	H124 Y129 R130 L131	H124-E127 PolarHBondContact O-N 3.27Å; E127-Y129 VanDerWaalsContact C-N 3.35Å; E127-Y129 PolarHBondContact O-N 3.19Å; E127-R130 WeakPolarHBondContact O-CB 3.48Å; E127-R130 PolarHBondContact O-N 2.93Å; E127-R130 IonicContact OE1-NH2 3.03Å; E127-L131 HydrophobicContact CG-CD1 4.1Å; E127-L131 HydrophobicContact CG-CG 4.44Å; E127-L131 WeakPolarHBondContact O-CG 3.4Å; E127-L131 PolarHBondContact O-N 2.84Å
128	E	96.2	Very high	94.9	Very high	60 Å²	60	72.1 Å²	72.1	28%	0.28	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-43.7	176.9	-81.2	-67.2	133	0	0	111.6	I120 H124 R130 L131 R132	I120-E128 HydrophobicContact CD1-CB 4.24Å; I120-E128 HydrophobicContact CD1-CG 4.36Å; I120-E128 HydrophobicContact CG2-CB 4.21Å; I120-E128 HydrophobicContact CG2-CG 3.89Å; H124-E128 WeakPolarHBondContact O-CB 3.24Å; H124-E128 PolarHBondContact O-N 3.47Å; E128-R130 VanDerWaalsContact C-N 3.34Å; E128-R130 PolarHBondContact O-N 2.83Å; E128-L131 PolarHBondContact O-N 2.89Å; E128-R132 WeakPolarHBondContact O-CB 3.4Å; E128-R132 VanDerWaalsContact O-CG 3.25Å; E128-R132 WeakPolarHBondContact O-CG 3.46Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 IonicContact OE2-CZ 3.94Å; E128-R132 VanDerWaalsContact OE2-CZ 3.29Å; E128-R132 IonicContact OE2-NE 3.11Å; E128-R132 PolarHBondContact OE2-NE 3.1Å; E128-R132 IonicContact OE2-NH2 2.6Å; E128-R132 PolarHBondContact OE2-NH2 2.81Å
129	Y	95.6	Very high	95	Very high	53 Å²	53	69.3 Å²	69.3	21%	0.208	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-45.3	175.4	179.5	-97.4	0	0	0	111.6	L125 E127 L131 R132 S133 F140 Q394 L397	L125-Y129 VanDerWaalsContact O-CB 3.25Å; L125-Y129 WeakPolarHBondContact O-CB 3.44Å; L125-Y129 PolarHBondContact O-N 3.26Å; E127-Y129 VanDerWaalsContact C-N 3.35Å; E127-Y129 PolarHBondContact O-N 3.19Å; Y129-L131 PolarHBondContact O-N 3.47Å; Y129-R132 PolarHBondContact O-N 2.69Å; Y129-S133 WeakPolarHBondContact CE1-OG 3.34Å; Y129-S133 WeakPolarHBondContact O-CB 3.32Å; Y129-S133 PolarHBondContact O-N 3.07Å; Y129-S133 PolarHBondContact O-OG 2.98Å; Y129-F140 HydrophobicContact CD2-CE2 4.26Å; Y129-F140 AromaticContact CD2-CZ 3.87Å; Y129-F140 HydrophobicContact CD2-CZ 3.87Å; Y129-F140 HydrophobicContact CE2-CE2 4.24Å; Y129-F140 HydrophobicContact CE2-CZ 4.15Å; Y129-Q394 HydrophobicContact CE2-CB 3.98Å; Y129-L397 HydrophobicContact CD1-CD2 3.43Å; Y129-L397 VanDerWaalsContact CD1-CD2 3.43Å; Y129-L397 HydrophobicContact CD2-CD2 4.42Å; Y129-L397 HydrophobicContact CE1-CD2 4.06Å; Y129-L397 HydrophobicContact CG-CD2 3.64Å
130	R	94.3	Very high	95	Very high	152 Å²	152	66.9 Å²	66.9	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-61.2	-44.7	178.2	-176.8	-172.2	65.6	85.5	1.3	111.5	E126 E127 E128 A134	E126-R130 WeakPolarHBondContact O-CB 3.01Å; E126-R130 PolarHBondContact O-N 3.32Å; E127-R130 WeakPolarHBondContact O-CB 3.48Å; E127-R130 PolarHBondContact O-N 2.93Å; E127-R130 IonicContact OE1-NH2 3.03Å; E128-R130 VanDerWaalsContact C-N 3.34Å; E128-R130 PolarHBondContact O-N 2.83Å; R130-A134 PolarHBondContact O-N 2.94Å
131	L	94.9	Very high	94.9	Very high	70 Å²	70	70.8 Å²	70.8	37%	0.366	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-46.8	177.1	-71	172.2	0	0	0	111	E127 E128 Y129 S133 A134	E127-L131 HydrophobicContact CG-CD1 4.1Å; E127-L131 HydrophobicContact CG-CG 4.44Å; E127-L131 WeakPolarHBondContact O-CG 3.4Å; E127-L131 PolarHBondContact O-N 2.84Å; E128-L131 PolarHBondContact O-N 2.89Å; Y129-L131 PolarHBondContact O-N 3.47Å; L131-S133 VanDerWaalsContact C-N 3.35Å; L131-S133 PolarHBondContact O-N 2.84Å; L131-A134 WeakPolarHBondContact O-CB 3.36Å; L131-A134 PolarHBondContact O-N 3.37Å
132	R	95.3	Very high	94.8	Very high	23 Å²	23	71.3 Å²	71.3	9%	0.087	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-30.4	-176.6	-67.2	175.8	-164.2	-155.8	5	113.6	E128 Y129 A134 G137 L139 F140 E143 Y393	E128-R132 WeakPolarHBondContact O-CB 3.4Å; E128-R132 VanDerWaalsContact O-CG 3.25Å; E128-R132 WeakPolarHBondContact O-CG 3.46Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 IonicContact OE2-CZ 3.94Å; E128-R132 VanDerWaalsContact OE2-CZ 3.29Å; E128-R132 IonicContact OE2-NE 3.11Å; E128-R132 PolarHBondContact OE2-NE 3.1Å; E128-R132 IonicContact OE2-NH2 2.6Å; E128-R132 PolarHBondContact OE2-NH2 2.81Å; Y129-R132 PolarHBondContact O-N 2.69Å; R132-A134 VanDerWaalsContact C-N 3.34Å; R132-G137 WeakPolarHBondContact O-CA 3.33Å; R132-L139 HydrophobicContact CB-CB 4.39Å; R132-L139 HydrophobicContact CG-CB 4.32Å; R132-F140 VanDerWaalsContact C-CD2 3.47Å; R132-F140 HydrophobicContact CB-CD1 3.9Å; R132-F140 HydrophobicContact CB-CD2 3.76Å; R132-F140 HydrophobicContact CB-CE1 3.68Å; R132-F140 HydrophobicContact CB-CE2 3.57Å; R132-F140 HydrophobicContact CB-CG 3.92Å; R132-F140 HydrophobicContact CB-CZ 3.52Å; R132-F140 HydrophobicContact CG-CE1 4.34Å; R132-F140 VanDerWaalsContact O-CD2 3.26Å; R132-F140 WeakPolarHBondContact O-CD2 3.41Å; R132-E143 IonicContact CZ-OE2 3.58Å; R132-E143 IonicContact NE-OE2 3.4Å; R132-E143 IonicContact NH1-OE1 2.71Å; R132-E143 PolarHBondContact NH1-OE1 2.97Å; R132-E143 IonicContact NH1-OE2 3.5Å; R132-E143 PolarHBondContact NH1-OE2 3.22Å; R132-Y393 PolarHBondContact NH1-OH 3.46Å
133	S	92.6	Very high	94.8	Very high	42 Å²	42	71.1 Å²	71.1	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-76.7	-17.1	176.7	-58.6	0	0	0	0	113.8	Y129 L131 G137 F140	Y129-S133 WeakPolarHBondContact CE1-OG 3.34Å; Y129-S133 WeakPolarHBondContact O-CB 3.32Å; Y129-S133 PolarHBondContact O-N 3.07Å; Y129-S133 PolarHBondContact O-OG 2.98Å; L131-S133 VanDerWaalsContact C-N 3.35Å; L131-S133 PolarHBondContact O-N 2.84Å; S133-G137 PolarHBondContact O-N 2.87Å; S133-F140 WeakPolarHBondContact OG-CE2 3.49Å
134	A	91.8	Very high	94.8	Very high	44 Å²	44	68 Å²	68	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	163.2	179.1	0	0	0	0	0	112.1	R130 L131 R132 D136 G137 K138	R130-A134 PolarHBondContact O-N 2.94Å; L131-A134 WeakPolarHBondContact O-CB 3.36Å; L131-A134 PolarHBondContact O-N 3.37Å; R132-A134 VanDerWaalsContact C-N 3.34Å; A134-D136 VanDerWaalsContact C-N 3.29Å; A134-D136 PolarHBondContact O-N 2.67Å; A134-G137 PolarHBondContact O-N 2.86Å; A134-K138 PolarHBondContact O-N 3.1Å
135	D	92.3	Very high	94.7	Very high	136 Å²	136	69.3 Å²	69.3	73%	0.727	34%	0.34	S	S	*	.	H	α-helix	trans	49.3	47.8	177.7	-57.1	-32.4	0	0	0	113.4	G137 K138	D135-G137 VanDerWaalsContact C-N 3.32Å; D135-G137 PolarHBondContact O-N 2.92Å; D135-K138 HydrophobicContact CB-CB 4.23Å; D135-K138 WeakPolarHBondContact O-CB 3.24Å; D135-K138 PolarHBondContact O-N 3.43Å
136	D	89.1	Confident	94.7	Very high	140 Å²	140	72.2 Å²	72.2	75%	0.749	36%	0.361	S	S	*	.	H	α-helix	trans	58.2	43.5	-178.5	-167.7	46.3	0	0	0	111.9	A134 K138 R141	A134-D136 VanDerWaalsContact C-N 3.29Å; A134-D136 PolarHBondContact O-N 2.67Å; D136-K138 VanDerWaalsContact C-N 3.3Å; D136-K138 PolarHBondContact O-N 3.46Å; D136-R141 PolarHBondContact O-NE 3.18Å; D136-R141 PolarHBondContact O-NH2 2.96Å; D136-R141 IonicContact OD2-NH2 2.82Å
137	G	93.2	Very high	94.5	Very high	15 Å²	15	67.5 Å²	67.5	16%	0.155	34%	0.339	C	S	.	.	H	α-helix	trans	63.8	29.7	177.7	0	0	0	0	0	114.3	R132 S133 A134 D135 L139 F140 R141	R132-G137 WeakPolarHBondContact O-CA 3.33Å; S133-G137 PolarHBondContact O-N 2.87Å; A134-G137 PolarHBondContact O-N 2.86Å; D135-G137 VanDerWaalsContact C-N 3.32Å; D135-G137 PolarHBondContact O-N 2.92Å; G137-L139 VanDerWaalsContact C-N 3.33Å; G137-L139 PolarHBondContact O-N 3.38Å; G137-F140 PolarHBondContact O-N 3.35Å; G137-R141 PolarHBondContact O-N 2.92Å
138	K	95.3	Very high	94.1	Very high	109 Å²	109	65 Å²	65	47%	0.474	33%	0.332	S	S	.	.	H	α-helix	trans	-56.3	-45.2	-176.4	179.3	-178	170.9	-170.7	0	112.5	A134 D135 D136 R141 E142	A134-K138 PolarHBondContact O-N 3.1Å; D135-K138 HydrophobicContact CB-CB 4.23Å; D135-K138 WeakPolarHBondContact O-CB 3.24Å; D135-K138 PolarHBondContact O-N 3.43Å; D136-K138 VanDerWaalsContact C-N 3.3Å; D136-K138 PolarHBondContact O-N 3.46Å; K138-R141 WeakPolarHBondContact O-CB 3.41Å; K138-R141 PolarHBondContact O-N 3.02Å; K138-E142 WeakPolarHBondContact CE-OE1 3.15Å; K138-E142 PolarHBondContact O-N 3.28Å
139	L	95.8	Very high	92.9	Very high	70 Å²	70	65.6 Å²	65.6	37%	0.366	35%	0.354	S	S	.	.	H	α-helix	trans	-70.1	-36	-178.5	-66.9	179.2	0	0	0	112.1	R132 G137 R141 E142 E143	R132-L139 HydrophobicContact CB-CB 4.39Å; R132-L139 HydrophobicContact CG-CB 4.32Å; G137-L139 VanDerWaalsContact C-N 3.33Å; G137-L139 PolarHBondContact O-N 3.38Å; L139-R141 VanDerWaalsContact C-N 3.3Å; L139-R141 PolarHBondContact O-N 3.44Å; L139-E142 PolarHBondContact O-N 3.11Å; L139-E143 WeakPolarHBondContact O-CB 3.49Å; L139-E143 PolarHBondContact O-N 3.21Å
140	F	96.9	Very high	91.5	Very high	7 Å²	7	64 Å²	64	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-58.8	-42.4	169.9	-82.5	-53.1	0	0	0	111.9	Y129 R132 S133 G137 E143 Y144 Y389 Y393	Y129-F140 HydrophobicContact CD2-CE2 4.26Å; Y129-F140 AromaticContact CD2-CZ 3.87Å; Y129-F140 HydrophobicContact CD2-CZ 3.87Å; Y129-F140 HydrophobicContact CE2-CE2 4.24Å; Y129-F140 HydrophobicContact CE2-CZ 4.15Å; R132-F140 VanDerWaalsContact C-CD2 3.47Å; R132-F140 HydrophobicContact CB-CD1 3.9Å; R132-F140 HydrophobicContact CB-CD2 3.76Å; R132-F140 HydrophobicContact CB-CE1 3.68Å; R132-F140 HydrophobicContact CB-CE2 3.57Å; R132-F140 HydrophobicContact CB-CG 3.92Å; R132-F140 HydrophobicContact CB-CZ 3.52Å; R132-F140 HydrophobicContact CG-CE1 4.34Å; R132-F140 VanDerWaalsContact O-CD2 3.26Å; R132-F140 WeakPolarHBondContact O-CD2 3.41Å; S133-F140 WeakPolarHBondContact OG-CE2 3.49Å; G137-F140 PolarHBondContact O-N 3.35Å; F140-E143 PolarHBondContact O-N 3.08Å; F140-Y144 VanDerWaalsContact O-CB 3.24Å; F140-Y144 WeakPolarHBondContact O-CB 3.36Å; F140-Y144 PolarHBondContact O-N 2.98Å; F140-Y389 HydrophobicContact CD1-CD1 4.23Å; F140-Y389 HydrophobicContact CD1-CE1 4.39Å; F140-Y393 HydrophobicContact CD1-CD2 4.33Å; F140-Y393 HydrophobicContact CE1-CD1 4.2Å; F140-Y393 AromaticContact CE1-CD2 3.51Å; F140-Y393 HydrophobicContact CE1-CD2 3.51Å; F140-Y393 AromaticContact CE1-CE2 3.92Å; F140-Y393 HydrophobicContact CE1-CE2 3.92Å; F140-Y393 AromaticContact CE1-CG 3.66Å; F140-Y393 HydrophobicContact CE1-CG 3.66Å; F140-Y393 HydrophobicContact CZ-CD2 4.23Å; F140-Y393 AromaticContact CZ-CG 3.99Å; F140-Y393 HydrophobicContact CZ-CG 3.99Å
141	R	96	Very high	90.2	Very high	89 Å²	89	59 Å²	59	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-44.1	176.3	-76.1	-179.6	-71.5	169.7	-6.8	112.5	D136 G137 K138 L139 N145 D386	D136-R141 PolarHBondContact O-NE 3.18Å; D136-R141 PolarHBondContact O-NH2 2.96Å; D136-R141 IonicContact OD2-NH2 2.82Å; G137-R141 PolarHBondContact O-N 2.92Å; K138-R141 WeakPolarHBondContact O-CB 3.41Å; K138-R141 PolarHBondContact O-N 3.02Å; L139-R141 VanDerWaalsContact C-N 3.3Å; L139-R141 PolarHBondContact O-N 3.44Å; R141-N145 VanDerWaalsContact O-CB 3.24Å; R141-N145 WeakPolarHBondContact O-CB 3.44Å; R141-N145 PolarHBondContact O-N 3.11Å; R141-N145 PolarHBondContact O-ND2 3.14Å; R141-D386 VanDerWaalsContact CD-OD2 3.31Å; R141-D386 WeakPolarHBondContact CD-OD2 3.21Å; R141-D386 HydrophobicContact CG-CB 3.95Å; R141-D386 WeakPolarHBondContact CG-OD2 3.34Å
142	E	95.8	Very high	88.4	Confident	65 Å²	65	60.9 Å²	60.9	30%	0.304	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-45.4	176.5	-73.6	179.4	-168.6	0	0	112.1	K115 K138 L139 S146	K115-E142 IonicContact NZ-OE2 2.9Å; K115-E142 PolarHBondContact NZ-OE2 2.66Å; K138-E142 WeakPolarHBondContact CE-OE1 3.15Å; K138-E142 PolarHBondContact O-N 3.28Å; L139-E142 PolarHBondContact O-N 3.11Å; E142-S146 PolarHBondContact O-N 2.62Å; E142-S146 PolarHBondContact O-OG 2.95Å
143	E	96.3	Very high	86.8	Confident	4 Å²	4	68 Å²	68	2%	0.019	40%	0.398	C	S	.	.	H	α-helix	trans	-64	-50.2	176.6	-179.3	175.5	173.6	0	0	112.6	Y117 R132 L139 F140 N145 S146 L147 F369 Y389 Y393	Y117-E143 HydrophobicContact CD1-CB 4.14Å; Y117-E143 HydrophobicContact CD1-CG 3.59Å; Y117-E143 HydrophobicContact CE1-CB 3.53Å; Y117-E143 HydrophobicContact CE1-CG 3.5Å; Y117-E143 HydrophobicContact CE2-CG 4.46Å; Y117-E143 HydrophobicContact CG-CG 4.11Å; Y117-E143 WeakPolarHBondContact OH-CA 3.27Å; R132-E143 IonicContact CZ-OE2 3.58Å; R132-E143 IonicContact NE-OE2 3.4Å; R132-E143 IonicContact NH1-OE1 2.71Å; R132-E143 PolarHBondContact NH1-OE1 2.97Å; R132-E143 IonicContact NH1-OE2 3.5Å; R132-E143 PolarHBondContact NH1-OE2 3.22Å; L139-E143 WeakPolarHBondContact O-CB 3.49Å; L139-E143 PolarHBondContact O-N 3.21Å; F140-E143 PolarHBondContact O-N 3.08Å; E143-N145 VanDerWaalsContact C-N 3.31Å; E143-N145 PolarHBondContact O-N 3.12Å; E143-S146 WeakPolarHBondContact O-CA 3.3Å; E143-S146 WeakPolarHBondContact O-CB 3.39Å; E143-S146 PolarHBondContact O-N 2.68Å; E143-L147 PolarHBondContact O-N 3.29Å; E143-F369 HydrophobicContact CG-CD2 3.73Å; E143-F369 HydrophobicContact CG-CE2 4.35Å; E143-Y389 HydrophobicContact CG-CE1 3.92Å; E143-Y389 PolarHBondContact OE1-OH 3.23Å; E143-Y393 PolarHBondContact OE1-OH 2.75Å
144	Y	96.4	Very high	85.7	Confident	36 Å²	36	66.6 Å²	66.6	14%	0.141	39%	0.39	C	S	.	.	H	α-helix	trans	-57.2	-44.2	177.2	175.1	-100.2	0	0	0	112.1	F140 S146 L147 R376 I383 Q384 T385 D386 Y389	F140-Y144 VanDerWaalsContact O-CB 3.24Å; F140-Y144 WeakPolarHBondContact O-CB 3.36Å; F140-Y144 PolarHBondContact O-N 2.98Å; Y144-S146 PolarHBondContact O-N 3.35Å; Y144-L147 HydrophobicContact CD2-CD1 3.71Å; Y144-L147 HydrophobicContact CE2-CD1 4.07Å; Y144-L147 VanDerWaalsContact O-CB 3.32Å; Y144-L147 WeakPolarHBondContact O-CB 3.39Å; Y144-L147 PolarHBondContact O-N 3.07Å; Y144-L147 VanDerWaalsContact O-N 3.13Å; Y144-R376 PolarHBondContact OH-NH2 2.68Å; Y144-I383 HydrophobicContact CE2-CG2 4.29Å; Y144-I383 WeakPolarHBondContact CE2-O 3.3Å; Y144-I383 PolarHBondContact OH-O 3.43Å; Y144-Q384 PolarHBondContact OH-O 2.66Å; Y144-T385 PolarHBondContact OH-N 3.33Å; Y144-D386 HydrophobicContact CD1-CB 3.89Å; Y144-D386 HydrophobicContact CG-CB 4.09Å; Y144-Y389 HydrophobicContact CD2-CD2 4.14Å; Y144-Y389 AromaticContact CD2-CG 3.97Å; Y144-Y389 HydrophobicContact CD2-CG 3.97Å
145	N	94.9	Very high	85.6	Confident	123 Å²	123	67.6 Å²	67.6	66%	0.658	39%	0.392	S	S	*	.	H	α-helix	trans	-68.8	-14.8	178.2	-70.6	-30.8	0	0	0	113.4	R141 E143	R141-N145 VanDerWaalsContact O-CB 3.24Å; R141-N145 WeakPolarHBondContact O-CB 3.44Å; R141-N145 PolarHBondContact O-N 3.11Å; R141-N145 PolarHBondContact O-ND2 3.14Å; E143-N145 VanDerWaalsContact C-N 3.31Å; E143-N145 PolarHBondContact O-N 3.12Å
146	S	95	Very high	85.6	Confident	61 Å²	61	64.5 Å²	64.5	43%	0.427	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.8	175.5	-57.6	0	0	0	0	112.9	Y117 E142 E143 Y144	Y117-S146 PolarHBondContact OH-OG 3.28Å; E142-S146 PolarHBondContact O-N 2.62Å; E142-S146 PolarHBondContact O-OG 2.95Å; E143-S146 WeakPolarHBondContact O-CA 3.3Å; E143-S146 WeakPolarHBondContact O-CB 3.39Å; E143-S146 PolarHBondContact O-N 2.68Å; Y144-S146 PolarHBondContact O-N 3.35Å
147	L	92.5	Very high	85.8	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.068	37%	0.365	C	S	.	.	S	Bend	trans	-62	143.5	174.1	-72.5	167.7	0	0	0	110.6	E143 Y144 G149 F369 V372 S373 R376 Y389	E143-L147 PolarHBondContact O-N 3.29Å; Y144-L147 HydrophobicContact CD2-CD1 3.71Å; Y144-L147 HydrophobicContact CE2-CD1 4.07Å; Y144-L147 VanDerWaalsContact O-CB 3.32Å; Y144-L147 WeakPolarHBondContact O-CB 3.39Å; Y144-L147 PolarHBondContact O-N 3.07Å; Y144-L147 VanDerWaalsContact O-N 3.13Å; L147-G149 PolarHBondContact O-N 3.39Å; L147-F369 HydrophobicContact CD2-CD2 3.59Å; L147-F369 HydrophobicContact CD2-CE2 3.61Å; L147-F369 HydrophobicContact CD2-CG 4.17Å; L147-F369 HydrophobicContact CD2-CZ 4.19Å; L147-F369 HydrophobicContact CG-CD2 4.16Å; L147-F369 HydrophobicContact CG-CE2 3.93Å; L147-V372 HydrophobicContact CD1-CG1 3.75Å; L147-V372 HydrophobicContact CD2-CB 4.11Å; L147-V372 HydrophobicContact CD2-CG1 3.9Å; L147-V372 HydrophobicContact CG-CG1 4.47Å; L147-S373 WeakPolarHBondContact CD2-OG 3.49Å; L147-R376 VanDerWaalsContact CB-NH1 3.29Å; L147-Y389 HydrophobicContact CD1-CD2 4.08Å; L147-Y389 HydrophobicContact CD1-CE2 3.92Å
148	P	86	Confident	85.9	Confident	52 Å²	52	65.3 Å²	65.3	34%	0.338	37%	0.366	S	S	.	.			trans	-61.2	142.4	176.2	26.2	-33.1	0	0	0	110.6	G150 S373 R376	P148-G150 PolarHBondContact O-N 2.68Å; P148-G150 VanDerWaalsContact O-N 3.15Å; P148-S373 WeakPolarHBondContact CD-OG 3.4Å; P148-R376 WeakPolarHBondContact O-CD 3.47Å; P148-R376 PolarHBondContact O-NH1 3.34Å; P148-R376 VanDerWaalsContact O-NH1 3.1Å
149	G	70.4	Confident	85.9	Confident	73 Å²	73	60.1 Å²	60.1	75%	0.753	34%	0.343	S	S	*	.			trans	-72.4	4.8	177.6	0	0	0	0	0	114.7	L147	L147-G149 PolarHBondContact O-N 3.39Å
150	G	66	Low	85.8	Confident	19 Å²	19	60.7 Å²	60.7	20%	0.196	35%	0.347	C	S	.	.	S	Bend	trans	122.5	176.2	-174.3	0	0	0	0	0	112.7	P148 A152 Y176	P148-G150 PolarHBondContact O-N 2.68Å; P148-G150 VanDerWaalsContact O-N 3.15Å; G150-A152 PolarHBondContact O-N 2.86Å; G150-Y176 WeakPolarHBondContact CA-OH 3.48Å
151	N	66.9	Low	85.7	Confident	49 Å²	49	64 Å²	64	26%	0.262	36%	0.362	S	S	.	.			trans	-68.2	120.1	177.8	-173.9	-8.2	0	0	0	110.6	Q153 G154 Y176 E377	N151-Q153 PolarHBondContact O-N 3.08Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.29Å; N151-Q153 PolarHBondContact OD1-N 3.48Å; N151-G154 PolarHBondContact O-N 3Å; N151-G154 VanDerWaalsContact O-N 3.13Å; N151-Y176 HydrophobicContact CB-CE2 4.49Å; N151-Y176 PolarHBondContact N-OH 3.33Å; N151-E377 HydrophobicContact CB-CB 4.45Å
152	A	58.3	Low	85.6	Confident	109 Å²	109	65.4 Å²	65.4	90%	0.901	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.4	176.3	0	0	0	0	0	113.5	G150	G150-A152 PolarHBondContact O-N 2.86Å
153	Q	60.6	Low	85.5	Confident	171 Å²	171	68.2 Å²	68.2	80%	0.799	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.6	177.7	-60.7	-176.8	-16.4	0	0	113.4	N151 T155	N151-Q153 PolarHBondContact O-N 3.08Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.29Å; N151-Q153 PolarHBondContact OD1-N 3.48Å; Q153-T155 PolarHBondContact O-N 2.8Å
154	G	70.5	Confident	85.5	Confident	13 Å²	13	68 Å²	68	13%	0.134	39%	0.388	C	S	.	.			trans	-71.2	119.3	-178.9	0	0	0	0	0	111.6	N151	N151-G154 PolarHBondContact O-N 3Å; N151-G154 VanDerWaalsContact O-N 3.13Å
155	T	89.8	Confident	85.4	Confident	65 Å²	65	70.9 Å²	70.9	40%	0.399	40%	0.401	S	S	.	.			trans	-86.9	156.2	174	58.1	0	0	0	0	111.3	Q153 Y176 D177	Q153-T155 PolarHBondContact O-N 2.8Å; T155-Y176 WeakPolarHBondContact O-CA 3.49Å; T155-D177 WeakPolarHBondContact CB-OD2 3.32Å; T155-D177 PolarHBondContact O-N 2.95Å; T155-D177 PolarHBondContact OG1-OD2 2.6Å
156	Y	91.6	Very high	85.4	Confident	71 Å²	71	71.5 Å²	71.5	28%	0.278	40%	0.4	S	S	.	.			trans	-128.8	31.7	177.9	-55.1	-79.3	0	0	0	110.5	E158 A159 N160 L174 P175 Y176 D177	Y156-E158 PolarHBondContact O-N 2.8Å; Y156-A159 PolarHBondContact O-N 3.25Å; Y156-N160 WeakPolarHBondContact CB-ND2 3.23Å; Y156-N160 WeakPolarHBondContact O-CB 3.48Å; Y156-N160 PolarHBondContact O-N 3.16Å; Y156-N160 PolarHBondContact O-ND2 3.14Å; Y156-L174 HydrophobicContact CD1-CB 3.62Å; Y156-L174 HydrophobicContact CE1-CB 4.08Å; Y156-L174 WeakPolarHBondContact CE1-O 3.4Å; Y156-L174 HydrophobicContact CG-CB 4.31Å; Y156-P175 WeakPolarHBondContact CD1-O 3.23Å; Y156-Y176 HydrophobicContact CD1-CD1 4.01Å; Y156-Y176 HydrophobicContact CD1-CE1 4.46Å; Y156-Y176 AromaticContact CE1-CD1 3.37Å; Y156-Y176 HydrophobicContact CE1-CD1 3.37Å; Y156-Y176 AromaticContact CE1-CE1 3.48Å; Y156-Y176 HydrophobicContact CE1-CE1 3.48Å; Y156-Y176 VanDerWaalsContact CE1-CE1 3.48Å; Y156-Y176 HydrophobicContact CE1-CG 4.24Å; Y156-Y176 HydrophobicContact CE2-CD1 4.35Å; Y156-Y176 HydrophobicContact CE2-CE1 4.01Å; Y156-Y176 AromaticContact CZ-CD1 3.6Å; Y156-Y176 AromaticContact CZ-CE1 3.22Å; Y156-Y176 WeakPolarHBondContact OH-CE1 3.44Å; Y156-Y176 PolarHBondContact OH-OH 2.94Å; Y156-D177 PolarHBondContact N-OD2 3.33Å
157	E	93.8	Very high	85.5	Confident	135 Å²	135	70 Å²	70	63%	0.631	39%	0.386	S	S	*	.	H	α-helix	trans	-60.7	-46.4	-171.3	-69.1	178.9	-174.7	0	0	110.9	N160 K161 D177	E157-N160 PolarHBondContact O-N 3.48Å; E157-K161 PolarHBondContact O-N 3.01Å; E157-D177 PolarHBondContact N-OD1 2.75Å; E157-D177 PolarHBondContact N-OD2 2.8Å
158	E	95	Very high	85.8	Confident	37 Å²	37	70 Å²	70	17%	0.173	39%	0.385	C	S	.	.	H	α-helix	trans	-68.6	-38.9	-178.8	-66.9	-63.4	146.6	0	0	111.9	Y156 N160 K161 N164 D177 Y194	Y156-E158 PolarHBondContact O-N 2.8Å; E158-N160 VanDerWaalsContact C-N 3.29Å; E158-N160 PolarHBondContact O-N 3.28Å; E158-K161 PolarHBondContact O-N 3.43Å; E158-K161 WeakPolarHBondContact OE1-CE 3.42Å; E158-K161 IonicContact OE1-NZ 3.73Å; E158-K161 PolarHBondContact OE1-NZ 3.31Å; E158-K161 VanDerWaalsContact OE2-CE 3.24Å; E158-K161 WeakPolarHBondContact OE2-CE 3.31Å; E158-K161 IonicContact OE2-NZ 3.62Å; E158-K161 PolarHBondContact OE2-NZ 2.85Å; E158-N164 WeakPolarHBondContact O-CB 3.47Å; E158-N164 PolarHBondContact O-ND2 3.28Å; E158-D177 WeakPolarHBondContact CB-OD1 3.46Å; E158-D177 PolarHBondContact N-OD1 3.34Å; E158-D177 VanDerWaalsContact N-OD1 3.1Å; E158-Y194 HydrophobicContact CB-CD2 4.27Å
159	A	94.8	Very high	86.3	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-69.2	-26.1	178.1	0	0	0	0	0	113.4	Y156 N168 L174 P175 Y194	Y156-A159 PolarHBondContact O-N 3.25Å; A159-N168 PolarHBondContact O-ND2 2.82Å; A159-L174 HydrophobicContact CB-CB 3.9Å; A159-L174 HydrophobicContact CB-CD1 4.16Å; A159-L174 HydrophobicContact CB-CD2 4.2Å; A159-L174 HydrophobicContact CB-CG 4.3Å; A159-P175 HydrophobicContact CB-CG 4.35Å; A159-Y194 VanDerWaalsContact CA-CE2 3.49Å; A159-Y194 HydrophobicContact CB-CE2 3.8Å; A159-Y194 VanDerWaalsContact CB-OH 3.27Å; A159-Y194 WeakPolarHBondContact CB-OH 3.34Å
160	N	95	Very high	87.5	Confident	82 Å²	82	69.7 Å²	69.7	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-93.3	-3.3	-179.5	-77.3	-50.5	0	0	0	114.4	Y156 E157 E158 K165 L174	Y156-N160 WeakPolarHBondContact CB-ND2 3.23Å; Y156-N160 WeakPolarHBondContact O-CB 3.48Å; Y156-N160 PolarHBondContact O-N 3.16Å; Y156-N160 PolarHBondContact O-ND2 3.14Å; E157-N160 PolarHBondContact O-N 3.48Å; E158-N160 VanDerWaalsContact C-N 3.29Å; E158-N160 PolarHBondContact O-N 3.28Å; N160-K165 VanDerWaalsContact O-CE 3.23Å; N160-K165 WeakPolarHBondContact O-CE 3.22Å; N160-L174 WeakPolarHBondContact OD1-CD1 3.42Å
161	K	95.1	Very high	88.8	Confident	78 Å²	78	74.1 Å²	74.1	34%	0.339	38%	0.381	S	S	.	.	S	Bend	trans	-56.8	138.3	169.9	-72.1	-178.1	179.9	168.7	0	110.1	E157 E158 E163 N164 K165	E157-K161 PolarHBondContact O-N 3.01Å; E158-K161 PolarHBondContact O-N 3.43Å; E158-K161 WeakPolarHBondContact OE1-CE 3.42Å; E158-K161 IonicContact OE1-NZ 3.73Å; E158-K161 PolarHBondContact OE1-NZ 3.31Å; E158-K161 VanDerWaalsContact OE2-CE 3.24Å; E158-K161 WeakPolarHBondContact OE2-CE 3.31Å; E158-K161 IonicContact OE2-NZ 3.62Å; E158-K161 PolarHBondContact OE2-NZ 2.85Å; K161-E163 PolarHBondContact O-N 3.13Å; K161-N164 HydrophobicContact CB-CB 4.35Å; K161-N164 PolarHBondContact O-N 2.83Å; K161-K165 PolarHBondContact O-N 2.9Å; K161-K165 VanDerWaalsContact O-N 3.16Å
162	D	93.9	Very high	90	Very high	118 Å²	118	76.5 Å²	76.5	63%	0.631	39%	0.394	S	S	*	.	H	α-helix	trans	-58.6	-35.2	-174.1	-72.8	-34.7	0	0	0	112	N164 K165	D162-N164 VanDerWaalsContact C-N 3.29Å; D162-N164 PolarHBondContact O-N 2.74Å; D162-K165 WeakPolarHBondContact OD1-CE 3.27Å; D162-K165 IonicContact OD1-NZ 3.31Å; D162-K165 PolarHBondContact OD1-NZ 2.93Å
163	E	92.6	Very high	91.8	Very high	124 Å²	124	71.5 Å²	71.5	58%	0.579	35%	0.352	S	S	*	.	H	α-helix	trans	-70.2	-22.4	177.7	-55.2	84.2	174.5	0	0	113.5	K161 C191	K161-E163 PolarHBondContact O-N 3.13Å; E163-C191 HydrophobicContact CB-CB 3.87Å; E163-C191 VanDerWaalsContact CB-SG 3.5Å
164	N	96.2	Very high	93.5	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-98.3	-16.1	-177.7	-73	-25.9	0	0	0	113.2	E158 K161 D162 E166 K167 N168 C191 Y194	E158-N164 WeakPolarHBondContact O-CB 3.47Å; E158-N164 PolarHBondContact O-ND2 3.28Å; K161-N164 HydrophobicContact CB-CB 4.35Å; K161-N164 PolarHBondContact O-N 2.83Å; D162-N164 VanDerWaalsContact C-N 3.29Å; D162-N164 PolarHBondContact O-N 2.74Å; N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 PolarHBondContact O-N 2.8Å; N164-K167 WeakPolarHBondContact O-CB 3.33Å; N164-K167 PolarHBondContact O-N 2.84Å; N164-N168 PolarHBondContact O-ND2 2.83Å; N164-C191 PolarHBondContact OD1-O 3.36Å; N164-Y194 HydrophobicContact CB-CD1 3.71Å; N164-Y194 HydrophobicContact CB-CE1 3.98Å; N164-Y194 HydrophobicContact CB-CG 3.99Å; N164-Y194 VanDerWaalsContact CG-CG 3.44Å; N164-Y194 WeakPolarHBondContact ND2-CB 3.47Å; N164-Y194 WeakPolarHBondContact OD1-CB 3.36Å
165	K	95.3	Very high	94.7	Very high	96 Å²	96	63.4 Å²	63.4	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-55.6	-43.2	-179.6	-76.9	176.2	-177.2	163.8	0	112.4	N160 K161 D162 K167 N168	N160-K165 VanDerWaalsContact O-CE 3.23Å; N160-K165 WeakPolarHBondContact O-CE 3.22Å; K161-K165 PolarHBondContact O-N 2.9Å; K161-K165 VanDerWaalsContact O-N 3.16Å; D162-K165 WeakPolarHBondContact OD1-CE 3.27Å; D162-K165 IonicContact OD1-NZ 3.31Å; D162-K165 PolarHBondContact OD1-NZ 2.93Å; K165-K167 PolarHBondContact O-N 2.86Å; K165-N168 WeakPolarHBondContact O-CB 3.37Å; K165-N168 PolarHBondContact O-N 3.38Å
166	E	95.1	Very high	95.1	Very high	135 Å²	135	60.5 Å²	60.5	63%	0.631	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.1	178.4	-64.7	-53.7	134.7	0	0	113	N164 N168 K216	N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 PolarHBondContact O-N 2.8Å; E166-N168 PolarHBondContact O-N 3.34Å; E166-K216 PolarHBondContact O-NZ 3.19Å
167	K	97.1	Very high	95.3	Very high	30 Å²	30	58.5 Å²	58.5	13%	0.13	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12	175.1	-60.4	179.2	171.9	-170.5	0	112.5	N164 K165 C191 Y194 Q213 T219 D222	N164-K167 WeakPolarHBondContact O-CB 3.33Å; N164-K167 PolarHBondContact O-N 2.84Å; K165-K167 PolarHBondContact O-N 2.86Å; K167-C191 PolarHBondContact NZ-O 3.41Å; K167-Y194 HydrophobicContact CB-CD1 4.09Å; K167-Y194 HydrophobicContact CB-CE1 4.05Å; K167-Y194 HydrophobicContact CD-CD1 3.77Å; K167-Y194 PolarHBondContact NZ-O 2.79Å; K167-Q213 PolarHBondContact O-NE2 3.18Å; K167-T219 HydrophobicContact CB-CG2 3.85Å; K167-T219 HydrophobicContact CG-CG2 4.02Å; K167-D222 IonicContact NZ-OD2 3.18Å
168	N	97.6	Very high	95.4	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.064	28%	0.283	C	S	.	.			trans	-90.2	128.3	178.3	-62.6	-48.1	0	0	0	111.1	A159 N164 K165 E166 Y170 L174 Y194 N196	A159-N168 PolarHBondContact O-ND2 2.82Å; N164-N168 PolarHBondContact O-ND2 2.83Å; K165-N168 WeakPolarHBondContact O-CB 3.37Å; K165-N168 PolarHBondContact O-N 3.38Å; E166-N168 PolarHBondContact O-N 3.34Å; N168-Y170 VanDerWaalsContact C-N 3.33Å; N168-L174 HydrophobicContact CB-CD2 4.21Å; N168-L174 WeakPolarHBondContact ND2-CD2 2.92Å; N168-Y194 PolarHBondContact OD1-OH 2.81Å; N168-N196 PolarHBondContact OD1-ND2 2.74Å
169	R	96.8	Very high	95.5	Very high	47 Å²	47	56.4 Å²	56.4	18%	0.177	28%	0.278	C	S	.	.	S	Bend	trans	-70	-34.7	173.4	-177.2	178.4	-73.6	-81.6	-2.5	111.6	G214 P215 K216 D247 K248 S341	R169-G214 PolarHBondContact NE-O 3.27Å; R169-G214 PolarHBondContact NH2-O 3.07Å; R169-G214 VanDerWaalsContact NH2-O 3.14Å; R169-P215 PolarHBondContact NH2-O 3.44Å; R169-K216 HydrophobicContact CB-CD 4.43Å; R169-K216 HydrophobicContact CB-CG 4.29Å; R169-D247 PolarHBondContact NH1-O 2.86Å; R169-K248 PolarHBondContact NE-O 3.44Å; R169-S341 WeakPolarHBondContact CD-OG 3.42Å
170	Y	95.6	Very high	95.7	Very high	72 Å²	72	57.8 Å²	57.8	28%	0.282	28%	0.283	S	S	.	.			trans	-131.6	125.8	179.4	-59.9	-76.3	0	0	0	110.1	N168 N172 I173 S341 A342	N168-Y170 VanDerWaalsContact C-N 3.33Å; Y170-N172 PolarHBondContact O-N 3.06Å; Y170-I173 PolarHBondContact O-N 3.12Å; Y170-S341 WeakPolarHBondContact CE2-OG 3.37Å; Y170-S341 PolarHBondContact OH-OG 3.25Å; Y170-A342 HydrophobicContact CD2-CB 3.57Å; Y170-A342 HydrophobicContact CE2-CB 3.68Å
171	P	94.2	Very high	95.8	Very high	113 Å²	113	53.9 Å²	53.9	73%	0.734	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.7	-176.3	27.4	-35.1	0	0	0	113
172	N	91.9	Very high	96	Very high	99 Å²	99	53.7 Å²	53.7	53%	0.529	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	1.2	179.7	65.9	-47.7	0	0	0	113.9	Y170	Y170-N172 PolarHBondContact O-N 3.06Å
173	I	95.1	Very high	96.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.015	24%	0.239	C	C	.	.			trans	-123.2	90	179.8	-50.8	-65.4	0	0	0	108.9	Y170 N196 A342 V344	Y170-I173 PolarHBondContact O-N 3.12Å; I173-N196 PolarHBondContact O-ND2 2.97Å; I173-A342 HydrophobicContact CG1-CB 4.2Å; I173-A342 HydrophobicContact CG2-CB 4.23Å; I173-V344 HydrophobicContact CD1-CG2 4.26Å; I173-V344 HydrophobicContact CG2-CG1 3.65Å; I173-V344 HydrophobicContact CG2-CG2 4.24Å
174	L	96.3	Very high	96.3	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.079	24%	0.237	C	C	.	.			trans	-116.6	143.9	-174.1	-55	-178.6	0	0	0	110.4	Y156 A159 N160 N168	Y156-L174 HydrophobicContact CD1-CB 3.62Å; Y156-L174 HydrophobicContact CE1-CB 4.08Å; Y156-L174 WeakPolarHBondContact CE1-O 3.4Å; Y156-L174 HydrophobicContact CG-CB 4.31Å; A159-L174 HydrophobicContact CB-CB 3.9Å; A159-L174 HydrophobicContact CB-CD1 4.16Å; A159-L174 HydrophobicContact CB-CD2 4.2Å; A159-L174 HydrophobicContact CB-CG 4.3Å; N160-L174 WeakPolarHBondContact OD1-CD1 3.42Å; N168-L174 HydrophobicContact CB-CD2 4.21Å; N168-L174 WeakPolarHBondContact ND2-CD2 2.92Å
175	P	96.9	Very high	96.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.			trans	-72.4	144.1	172.2	33.5	-35.7	0	0	0	110	Y156 A159 R180 Y194 S198	Y156-P175 WeakPolarHBondContact CD1-O 3.23Å; A159-P175 HydrophobicContact CB-CG 4.35Å; P175-R180 HydrophobicContact CB-CB 4.1Å; P175-R180 HydrophobicContact CG-CB 4.43Å; P175-Y194 WeakPolarHBondContact CD-OH 3.27Å; P175-Y194 HydrophobicContact CG-CE2 4.01Å; P175-S198 WeakPolarHBondContact CB-OG 3.31Å
176	Y	96.8	Very high	95.9	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.012	26%	0.257	C	S	.	.			trans	-70.4	145.5	169.5	-64.6	-60.7	0	0	0	111.2	G150 N151 T155 Y156 H178 S179 R180 E377 S380	G150-Y176 WeakPolarHBondContact CA-OH 3.48Å; N151-Y176 HydrophobicContact CB-CE2 4.49Å; N151-Y176 PolarHBondContact N-OH 3.33Å; T155-Y176 WeakPolarHBondContact O-CA 3.49Å; Y156-Y176 HydrophobicContact CD1-CD1 4.01Å; Y156-Y176 HydrophobicContact CD1-CE1 4.46Å; Y156-Y176 AromaticContact CE1-CD1 3.37Å; Y156-Y176 HydrophobicContact CE1-CD1 3.37Å; Y156-Y176 AromaticContact CE1-CE1 3.48Å; Y156-Y176 HydrophobicContact CE1-CE1 3.48Å; Y156-Y176 VanDerWaalsContact CE1-CE1 3.48Å; Y156-Y176 HydrophobicContact CE1-CG 4.24Å; Y156-Y176 HydrophobicContact CE2-CD1 4.35Å; Y156-Y176 HydrophobicContact CE2-CE1 4.01Å; Y156-Y176 AromaticContact CZ-CD1 3.6Å; Y156-Y176 AromaticContact CZ-CE1 3.22Å; Y156-Y176 WeakPolarHBondContact OH-CE1 3.44Å; Y156-Y176 PolarHBondContact OH-OH 2.94Å; Y176-H178 VanDerWaalsContact C-N 3.32Å; Y176-H178 AromaticContact CD2-CE1 3.93Å; Y176-H178 AromaticContact CG-CE1 3.87Å; Y176-H178 PolarHBondContact O-N 2.96Å; Y176-S179 PolarHBondContact O-N 3.48Å; Y176-S179 PolarHBondContact O-OG 2.97Å; Y176-R180 WeakPolarHBondContact O-CB 3.41Å; Y176-R180 PolarHBondContact O-N 3.35Å; Y176-E377 VanDerWaalsContact CD2-O 3.28Å; Y176-E377 WeakPolarHBondContact CD2-O 3.5Å; Y176-E377 WeakPolarHBondContact CE2-O 3.44Å; Y176-S380 WeakPolarHBondContact OH-CB 3.28Å
177	D	96.2	Very high	95.6	Very high	30 Å²	30	51.9 Å²	51.9	16%	0.16	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-36.6	-177.3	-62.6	-41.9	0	0	0	113	T155 Y156 E157 E158 S179	T155-D177 WeakPolarHBondContact CB-OD2 3.32Å; T155-D177 PolarHBondContact O-N 2.95Å; T155-D177 PolarHBondContact OG1-OD2 2.6Å; Y156-D177 PolarHBondContact N-OD2 3.33Å; E157-D177 PolarHBondContact N-OD1 2.75Å; E157-D177 PolarHBondContact N-OD2 2.8Å; E158-D177 WeakPolarHBondContact CB-OD1 3.46Å; E158-D177 PolarHBondContact N-OD1 3.34Å; E158-D177 VanDerWaalsContact N-OD1 3.1Å; D177-S179 VanDerWaalsContact C-N 3.3Å; D177-S179 PolarHBondContact O-N 3.25Å
178	H	96.4	Very high	95	Very high	117 Å²	117	54.6 Å²	54.6	54%	0.542	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.2	-175.7	72.9	-86.5	0	0	0	114.2	Y176 E377	Y176-H178 VanDerWaalsContact C-N 3.32Å; Y176-H178 AromaticContact CD2-CE1 3.93Å; Y176-H178 AromaticContact CG-CE1 3.87Å; Y176-H178 PolarHBondContact O-N 2.96Å; H178-E377 PolarHBondContact CE1-O 2.89Å; H178-E377 PolarHBondContact NE2-O 2.81Å
179	S	97	Very high	94.4	Very high	10 Å²	10	57.8 Å²	57.8	7%	0.07	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-2.3	-175.3	62.6	0	0	0	0	112.9	Y176 D177 S198 Y199 Q378	Y176-S179 PolarHBondContact O-N 3.48Å; Y176-S179 PolarHBondContact O-OG 2.97Å; D177-S179 VanDerWaalsContact C-N 3.3Å; D177-S179 PolarHBondContact O-N 3.25Å; S179-S198 CarbonylContact O-C 3.57Å; S179-S198 VanDerWaalsContact O-CA 3.31Å; S179-S198 WeakPolarHBondContact O-CA 3.46Å; S179-Y199 WeakPolarHBondContact O-CD2 3.44Å; S179-Y199 PolarHBondContact O-N 2.89Å; S179-Q378 WeakPolarHBondContact CB-O 3.42Å; S179-Q378 PolarHBondContact OG-O 3.41Å
180	R	97.9	Very high	93.7	Very high	29 Å²	29	60.4 Å²	60.4	11%	0.109	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	149.5	179.5	74.6	-177	178.6	92.8	-9	111	P175 Y176 V182 D193 A197	P175-R180 HydrophobicContact CB-CB 4.1Å; P175-R180 HydrophobicContact CG-CB 4.43Å; Y176-R180 WeakPolarHBondContact O-CB 3.41Å; Y176-R180 PolarHBondContact O-N 3.35Å; R180-V182 HydrophobicContact CG-CG2 4.1Å; R180-V182 PolarHBondContact O-N 3.03Å; R180-D193 IonicContact CZ-OD2 2.74Å; R180-D193 VanDerWaalsContact CZ-OD2 3.31Å; R180-D193 IonicContact NH1-OD2 3.68Å; R180-D193 PolarHBondContact NH1-OD2 3.2Å; R180-D193 IonicContact NH2-OD2 3.43Å; R180-D193 PolarHBondContact NH2-OD2 3.46Å; R180-A197 VanDerWaalsContact CA-O 3.3Å; R180-A197 WeakPolarHBondContact CA-O 3.39Å
181	V	98.6	Very high	93.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.7	166.8	-174.8	0	0	0	0	108.3	I195 A197 Y199 I210 M226 Q230	V181-I195 HydrophobicContact CB-CG2 4.13Å; V181-I195 HydrophobicContact CG1-CG2 4.45Å; V181-A197 HydrophobicContact CB-CB 4.25Å; V181-A197 HydrophobicContact CG2-CB 3.92Å; V181-A197 PolarHBondContact N-O 3.23Å; V181-Y199 HydrophobicContact CB-CE2 4.31Å; V181-Y199 HydrophobicContact CG1-CE2 4.49Å; V181-Y199 HydrophobicContact CG2-CD1 4.47Å; V181-Y199 HydrophobicContact CG2-CD2 4.15Å; V181-Y199 HydrophobicContact CG2-CE1 4.24Å; V181-Y199 HydrophobicContact CG2-CE2 3.91Å; V181-Y199 HydrophobicContact CG2-CG 4.43Å; V181-I210 HydrophobicContact CG2-CD1 4.09Å; V181-I210 HydrophobicContact CG2-CG1 3.98Å; V181-I210 HydrophobicContact CG2-CG2 3.79Å; V181-M226 HydrophobicContact CB-SD 4.31Å; V181-M226 HydrophobicContact CG1-CG 3.86Å; V181-M226 HydrophobicContact CG1-SD 4.11Å; V181-M226 HydrophobicContact CG2-SD 4.35Å; V181-Q230 HydrophobicContact CG1-CG 4.06Å
182	V	98.3	Very high	93.2	Very high	75 Å²	75	52.3 Å²	52.3	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.2	179.6	-176.5	0	0	0	0	107.8	R180 D193	R180-V182 HydrophobicContact CG-CG2 4.1Å; R180-V182 PolarHBondContact O-N 3.03Å; V182-D193 HydrophobicContact CG1-CB 4.15Å
183	L	97.8	Very high	93.4	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-82.3	156.5	174.7	-57	-178.2	0	0	0	110.8	Q185 D193 I195 D222 M226	L183-Q185 PolarHBondContact O-N 3.33Å; L183-D193 PolarHBondContact N-O 2.88Å; L183-D193 WeakPolarHBondContact O-CA 3.43Å; L183-D193 WeakPolarHBondContact O-CB 3.38Å; L183-I195 HydrophobicContact CD1-CB 4.03Å; L183-I195 HydrophobicContact CD1-CG2 4.16Å; L183-I195 HydrophobicContact CD2-CG2 4.16Å; L183-I195 HydrophobicContact CG-CB 4.36Å; L183-I195 HydrophobicContact CG-CG2 3.96Å; L183-D222 HydrophobicContact CD1-CB 4.04Å; L183-M226 HydrophobicContact CD2-CB 3.74Å; L183-M226 HydrophobicContact CD2-CG 4.13Å
184	T	95.6	Very high	93.6	Very high	89 Å²	89	48.2 Å²	48.2	55%	0.546	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-62.4	125.9	173.7	-54.4	0	0	0	0	109.8	L186 R225 E229	T184-L186 PolarHBondContact O-N 2.82Å; T184-R225 PolarHBondContact O-NH1 2.54Å; T184-E229 WeakPolarHBondContact CB-OE1 3.48Å; T184-E229 PolarHBondContact N-OE2 3.09Å; T184-E229 VanDerWaalsContact OG1-CD 3.25Å; T184-E229 PolarHBondContact OG1-OE1 3.34Å; T184-E229 PolarHBondContact OG1-OE2 3.46Å
185	Q	93.8	Very high	93.7	Very high	95 Å²	95	48 Å²	48	44%	0.444	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-58.9	129.7	177.5	-164.2	79.9	42	0	0	110.8	L183 N189 P190 S192	L183-Q185 PolarHBondContact O-N 3.33Å; Q185-N189 PolarHBondContact NE2-O 2.57Å; Q185-P190 PolarHBondContact NE2-O 3.47Å; Q185-S192 PolarHBondContact NE2-OG 3.25Å
186	L	90	Very high	93.8	Very high	73 Å²	73	48.1 Å²	48.1	38%	0.382	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-92.3	138.8	172.6	-58.4	178.1	0	0	0	110.6	T184 G188 N189 S192	T184-L186 PolarHBondContact O-N 2.82Å; L186-G188 PolarHBondContact O-N 2.83Å; L186-N189 PolarHBondContact O-N 2.86Å; L186-N189 VanDerWaalsContact O-N 3.14Å; L186-S192 WeakPolarHBondContact CB-OG 3.46Å; L186-S192 PolarHBondContact N-OG 2.95Å
187	D	87.4	Confident	93.8	Very high	173 Å²	173	48 Å²	48	93%	0.925	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	132.3	177.3	-67.6	-33.5	0	0	0	111.1	N189	D187-N189 PolarHBondContact O-N 2.88Å
188	G	84.5	Confident	94	Very high	87 Å²	87	46.5 Å²	46.5	90%	0.897	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-0.1	179.9	0	0	0	0	0	115.5	L186	L186-G188 PolarHBondContact O-N 2.83Å
189	N	86.4	Confident	94.1	Very high	78 Å²	78	43.1 Å²	43.1	42%	0.417	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-125.8	92.9	174.6	-172.9	-18.3	0	0	0	111.2	Q185 L186 D187 C191 S192	Q185-N189 PolarHBondContact NE2-O 2.57Å; L186-N189 PolarHBondContact O-N 2.86Å; L186-N189 VanDerWaalsContact O-N 3.14Å; D187-N189 PolarHBondContact O-N 2.88Å; N189-C191 PolarHBondContact O-N 3.29Å; N189-C191 VanDerWaalsContact O-N 3.16Å; N189-C191 PolarHBondContact OD1-N 2.97Å; N189-S192 WeakPolarHBondContact O-CB 3.19Å; N189-S192 PolarHBondContact O-N 3.19Å; N189-S192 PolarHBondContact O-OG 3.44Å; N189-S192 PolarHBondContact OD1-N 3.05Å
190	P	80.8	Confident	94.2	Very high	103 Å²	103	42.6 Å²	42.6	67%	0.669	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.3	-176.8	-24.8	35.1	0	0	0	115.9	Q185	Q185-P190 PolarHBondContact NE2-O 3.47Å
191	C	85.6	Confident	94.2	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.095	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	17.6	-177.7	-57.6	0	0	0	0	112.3	E163 N164 K167 N189 D193	E163-C191 HydrophobicContact CB-CB 3.87Å; E163-C191 VanDerWaalsContact CB-SG 3.5Å; N164-C191 PolarHBondContact OD1-O 3.36Å; K167-C191 PolarHBondContact NZ-O 3.41Å; N189-C191 PolarHBondContact O-N 3.29Å; N189-C191 VanDerWaalsContact O-N 3.16Å; N189-C191 PolarHBondContact OD1-N 2.97Å; C191-D193 VanDerWaalsContact C-N 3.27Å; C191-D193 PolarHBondContact O-N 2.92Å
192	S	93.9	Very high	94.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.9	-179.5	58	0	0	0	0	114	Q185 L186 N189 Y194 R225	Q185-S192 PolarHBondContact NE2-OG 3.25Å; L186-S192 WeakPolarHBondContact CB-OG 3.46Å; L186-S192 PolarHBondContact N-OG 2.95Å; N189-S192 WeakPolarHBondContact O-CB 3.19Å; N189-S192 PolarHBondContact O-N 3.19Å; N189-S192 PolarHBondContact O-OG 3.44Å; N189-S192 PolarHBondContact OD1-N 3.05Å; S192-Y194 VanDerWaalsContact C-N 3.33Å; S192-R225 PolarHBondContact O-NH1 3.39Å; S192-R225 VanDerWaalsContact O-NH1 3.1Å; S192-R225 PolarHBondContact O-NH2 3.31Å
193	D	96.8	Very high	94	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.08	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.8	175.2	78	-46.9	0	0	0	113	R180 V182 L183 C191	R180-D193 IonicContact CZ-OD2 2.74Å; R180-D193 VanDerWaalsContact CZ-OD2 3.31Å; R180-D193 IonicContact NH1-OD2 3.68Å; R180-D193 PolarHBondContact NH1-OD2 3.2Å; R180-D193 IonicContact NH2-OD2 3.43Å; R180-D193 PolarHBondContact NH2-OD2 3.46Å; V182-D193 HydrophobicContact CG1-CB 4.15Å; L183-D193 PolarHBondContact N-O 2.88Å; L183-D193 WeakPolarHBondContact O-CA 3.43Å; L183-D193 WeakPolarHBondContact O-CB 3.38Å; C191-D193 VanDerWaalsContact C-N 3.27Å; C191-D193 PolarHBondContact O-N 2.92Å
194	Y	98.3	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.4	-172.9	-177.6	-95.6	0	0	0	113.5	E158 A159 N164 K167 N168 P175 S192	E158-Y194 HydrophobicContact CB-CD2 4.27Å; A159-Y194 VanDerWaalsContact CA-CE2 3.49Å; A159-Y194 HydrophobicContact CB-CE2 3.8Å; A159-Y194 VanDerWaalsContact CB-OH 3.27Å; A159-Y194 WeakPolarHBondContact CB-OH 3.34Å; N164-Y194 HydrophobicContact CB-CD1 3.71Å; N164-Y194 HydrophobicContact CB-CE1 3.98Å; N164-Y194 HydrophobicContact CB-CG 3.99Å; N164-Y194 VanDerWaalsContact CG-CG 3.44Å; N164-Y194 WeakPolarHBondContact ND2-CB 3.47Å; N164-Y194 WeakPolarHBondContact OD1-CB 3.36Å; K167-Y194 HydrophobicContact CB-CD1 4.09Å; K167-Y194 HydrophobicContact CB-CE1 4.05Å; K167-Y194 HydrophobicContact CD-CD1 3.77Å; K167-Y194 PolarHBondContact NZ-O 2.79Å; N168-Y194 PolarHBondContact OD1-OH 2.81Å; P175-Y194 WeakPolarHBondContact CD-OH 3.27Å; P175-Y194 HydrophobicContact CG-CE2 4.01Å; S192-Y194 VanDerWaalsContact C-N 3.33Å
195	I	98.6	Very high	93.7	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	144	163.5	-172.1	166.5	0	0	0	109.5	V181 L183 A197 D222 F223 M226	V181-I195 HydrophobicContact CB-CG2 4.13Å; V181-I195 HydrophobicContact CG1-CG2 4.45Å; L183-I195 HydrophobicContact CD1-CB 4.03Å; L183-I195 HydrophobicContact CD1-CG2 4.16Å; L183-I195 HydrophobicContact CD2-CG2 4.16Å; L183-I195 HydrophobicContact CG-CB 4.36Å; L183-I195 HydrophobicContact CG-CG2 3.96Å; I195-A197 VanDerWaalsContact C-N 3.28Å; I195-A197 HydrophobicContact CG2-CB 4.29Å; I195-A197 PolarHBondContact O-N 3.32Å; I195-D222 HydrophobicContact CD1-CB 4.25Å; I195-F223 HydrophobicContact CD1-CB 4.43Å; I195-F223 HydrophobicContact CD1-CD2 4.46Å; I195-M226 HydrophobicContact CD1-CB 3.97Å; I195-M226 HydrophobicContact CD1-CE 4.38Å; I195-M226 HydrophobicContact CD1-CG 4.47Å; I195-M226 HydrophobicContact CD1-SD 3.91Å; I195-M226 HydrophobicContact CG2-SD 4.17Å
196	N	98.5	Very high	93.8	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	80.1	176.1	-169.9	-35.7	0	0	0	111	N168 I173 Q213 R379	N168-N196 PolarHBondContact OD1-ND2 2.74Å; I173-N196 PolarHBondContact O-ND2 2.97Å; N196-Q213 HydrophobicContact CB-CG 4Å; N196-Q213 PolarHBondContact O-N 3.21Å; N196-Q213 VanDerWaalsContact O-N 3.13Å; N196-R379 PolarHBondContact OD1-NH1 3.01Å; N196-R379 PolarHBondContact OD1-NH2 2.91Å
197	A	98.7	Very high	94.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.6	176.7	0	0	0	0	0	110.6	R180 V181 I195 I210 A211 A212 M226	R180-A197 VanDerWaalsContact CA-O 3.3Å; R180-A197 WeakPolarHBondContact CA-O 3.39Å; V181-A197 HydrophobicContact CB-CB 4.25Å; V181-A197 HydrophobicContact CG2-CB 3.92Å; V181-A197 PolarHBondContact N-O 3.23Å; I195-A197 VanDerWaalsContact C-N 3.28Å; I195-A197 HydrophobicContact CG2-CB 4.29Å; I195-A197 PolarHBondContact O-N 3.32Å; A197-I210 HydrophobicContact CB-CG2 3.78Å; A197-A211 WeakPolarHBondContact CA-O 3.37Å; A197-A212 HydrophobicContact CB-CB 3.76Å; A197-M226 HydrophobicContact CB-SD 3.76Å
198	S	98.8	Very high	94.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.1	178.6	-51.7	0	0	0	0	110.6	P175 S179 I210 A211 R379	P175-S198 WeakPolarHBondContact CB-OG 3.31Å; S179-S198 CarbonylContact O-C 3.57Å; S179-S198 VanDerWaalsContact O-CA 3.31Å; S179-S198 WeakPolarHBondContact O-CA 3.46Å; S198-I210 CarbonylContact O-C 3.48Å; S198-I210 WeakPolarHBondContact O-CA 3Å; S198-A211 PolarHBondContact N-O 2.91Å; S198-A211 PolarHBondContact O-N 3.19Å; S198-R379 PolarHBondContact OG-NH1 3.1Å; S198-R379 VanDerWaalsContact OG-NH1 3.12Å
199	Y	98.8	Very high	95.3	Very high	45 Å²	45	39.7 Å²	39.7	18%	0.176	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.6	166	-63.3	-77.4	0	0	0	109.9	S179 V181 N207 F209 I210 Q230 P335	S179-Y199 WeakPolarHBondContact O-CD2 3.44Å; S179-Y199 PolarHBondContact O-N 2.89Å; V181-Y199 HydrophobicContact CB-CE2 4.31Å; V181-Y199 HydrophobicContact CG1-CE2 4.49Å; V181-Y199 HydrophobicContact CG2-CD1 4.47Å; V181-Y199 HydrophobicContact CG2-CD2 4.15Å; V181-Y199 HydrophobicContact CG2-CE1 4.24Å; V181-Y199 HydrophobicContact CG2-CE2 3.91Å; V181-Y199 HydrophobicContact CG2-CG 4.43Å; Y199-N207 WeakPolarHBondContact CB-OD1 3.49Å; Y199-N207 HydrophobicContact CD1-CB 3.93Å; Y199-N207 HydrophobicContact CG-CB 4.24Å; Y199-F209 WeakPolarHBondContact CA-O 3.43Å; Y199-I210 HydrophobicContact CD1-CD1 4.34Å; Y199-I210 HydrophobicContact CD1-CG1 3.73Å; Y199-I210 HydrophobicContact CE1-CD1 3.93Å; Y199-I210 HydrophobicContact CE1-CG1 3.85Å; Y199-Q230 PolarHBondContact OH-NE2 2.81Å; Y199-Q230 PolarHBondContact OH-OE1 2.6Å; Y199-P335 HydrophobicContact CD1-CG 4.41Å; Y199-P335 HydrophobicContact CE1-CG 4.17Å
200	V	98.6	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.6	178.1	-178.4	0	0	0	0	109	N207 K208 F209 A211 I351 I375 R379 L382	V200-N207 CarbonylContact O-C 3.35Å; V200-K208 PolarHBondContact O-N 2.7Å; V200-F209 HydrophobicContact CB-CB 4.28Å; V200-F209 PolarHBondContact N-O 2.81Å; V200-F209 PolarHBondContact O-N 2.65Å; V200-A211 HydrophobicContact CG2-CB 3.68Å; V200-I351 HydrophobicContact CB-CD1 4.36Å; V200-I351 HydrophobicContact CG1-CD1 4.26Å; V200-I351 HydrophobicContact CG1-CG2 4.01Å; V200-I375 HydrophobicContact CG1-CB 3.87Å; V200-I375 HydrophobicContact CG1-CG2 3.85Å; V200-R379 HydrophobicContact CG2-CB 4.48Å; V200-L382 HydrophobicContact CG1-CD1 4.26Å; V200-L382 HydrophobicContact CG2-CD1 4.13Å
201	D	98.4	Very high	96.8	Very high	18 Å²	18	31 Å²	31	10%	0.096	15%	0.153	C	C	.	.			trans	-72.4	145.8	179.1	-71.5	-3.9	0	0	0	111.1	K206 N207 Q378	D201-K206 WeakPolarHBondContact OD1-CA 3.14Å; D201-N207 PolarHBondContact OD1-N 2.84Å; D201-Q378 PolarHBondContact OD1-NE2 3.07Å
202	G	96.9	Very high	97.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	15%	0.148	C	C	.	.			trans	-82.5	-167.3	159.5	0	0	0	0	0	111	E205	G202-E205 PolarHBondContact N-O 2.55Å
203	Y	95.8	Very high	97.6	Very high	48 Å²	48	30.7 Å²	30.7	19%	0.188	15%	0.15	C	C	.	.	S	Bend	trans	-66.1	-54.4	176.4	169.1	-119	0	0	0	112.4	G355 D358 M359 A362 E363	Y203-G355 WeakPolarHBondContact CB-O 3.46Å; Y203-D358 HydrophobicContact CD1-CB 3.66Å; Y203-D358 HydrophobicContact CG-CB 4.21Å; Y203-M359 HydrophobicContact CD1-CB 4.48Å; Y203-M359 HydrophobicContact CD2-CB 3.82Å; Y203-M359 HydrophobicContact CD2-CE 4.18Å; Y203-M359 HydrophobicContact CD2-CG 4.28Å; Y203-M359 HydrophobicContact CE1-CB 4.4Å; Y203-M359 HydrophobicContact CE2-CB 3.74Å; Y203-M359 HydrophobicContact CE2-CE 3.73Å; Y203-M359 HydrophobicContact CE2-CG 3.78Å; Y203-M359 HydrophobicContact CG-CB 4.22Å; Y203-A362 HydrophobicContact CE1-CB 3.69Å; Y203-E363 WeakPolarHBondContact CE2-OE1 3.44Å; Y203-E363 VanDerWaalsContact OH-CD 3.27Å; Y203-E363 WeakPolarHBondContact OH-CG 3.37Å; Y203-E363 PolarHBondContact OH-OE1 3Å
204	T	92.9	Very high	97.7	Very high	120 Å²	120	30 Å²	30	74%	0.736	15%	0.146	S	C	*	.	S	Bend	trans	-105.4	-18.6	178	49.1	0	0	0	0	114.3
205	E	94.5	Very high	97.7	Very high	107 Å²	107	30.1 Å²	30.1	50%	0.5	15%	0.146	S	C	.	.	S	Bend	trans	-107.9	120.7	-170.8	-177.2	177.6	-173.3	0	0	111.4	G202 K208	G202-E205 PolarHBondContact N-O 2.55Å; E205-K208 HydrophobicContact CB-CB 4.05Å; E205-K208 HydrophobicContact CB-CD 4.29Å; E205-K208 HydrophobicContact CB-CG 4.41Å; E205-K208 HydrophobicContact CG-CB 3.97Å; E205-K208 HydrophobicContact CG-CG 4.41Å; E205-K208 WeakPolarHBondContact OE2-CG 3.38Å
206	K	96.4	Very high	97.7	Very high	170 Å²	170	31.4 Å²	31.4	74%	0.739	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	141.4	173.9	-73.1	-168.5	173.4	-171.9	0	110.8	D201 K208	D201-K206 WeakPolarHBondContact OD1-CA 3.14Å; K206-K208 PolarHBondContact O-N 3.23Å; K206-K208 VanDerWaalsContact O-N 3.11Å
207	N	97.1	Very high	97.6	Very high	73 Å²	73	37.1 Å²	37.1	39%	0.39	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	29.7	179.2	-57.2	-18.7	0	0	0	113.8	Y199 V200 D201 F209 P335	Y199-N207 WeakPolarHBondContact CB-OD1 3.49Å; Y199-N207 HydrophobicContact CD1-CB 3.93Å; Y199-N207 HydrophobicContact CG-CB 4.24Å; V200-N207 CarbonylContact O-C 3.35Å; D201-N207 PolarHBondContact OD1-N 2.84Å; N207-F209 PolarHBondContact O-N 2.87Å; N207-P335 WeakPolarHBondContact O-CB 3.44Å; N207-P335 WeakPolarHBondContact O-CG 3.43Å
208	K	97.9	Very high	97.5	Very high	26 Å²	26	42.2 Å²	42.2	11%	0.113	20%	0.202	C	C	.	.			trans	-55.3	-34.9	176.9	-176.2	175.9	-177.3	-173.8	0	111.7	V200 E205 K206 P335 I336 D354 D358	V200-K208 PolarHBondContact O-N 2.7Å; E205-K208 HydrophobicContact CB-CB 4.05Å; E205-K208 HydrophobicContact CB-CD 4.29Å; E205-K208 HydrophobicContact CB-CG 4.41Å; E205-K208 HydrophobicContact CG-CB 3.97Å; E205-K208 HydrophobicContact CG-CG 4.41Å; E205-K208 WeakPolarHBondContact OE2-CG 3.38Å; K206-K208 PolarHBondContact O-N 3.23Å; K206-K208 VanDerWaalsContact O-N 3.11Å; K208-P335 WeakPolarHBondContact O-CA 3.43Å; K208-I336 PolarHBondContact O-N 3.47Å; K208-D354 WeakPolarHBondContact CE-OD2 3.41Å; K208-D354 IonicContact NZ-OD1 2.89Å; K208-D354 IonicContact NZ-OD2 3.44Å; K208-D354 PolarHBondContact NZ-OD2 3.17Å; K208-D358 IonicContact NZ-OD2 2.65Å; K208-D358 PolarHBondContact NZ-OD2 2.98Å
209	F	98.8	Very high	97.4	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.9	-176.5	-59.3	-73.3	0	0	0	112.4	Y199 V200 N207 I336 V338 F350 I351 D354	Y199-F209 WeakPolarHBondContact CA-O 3.43Å; V200-F209 HydrophobicContact CB-CB 4.28Å; V200-F209 PolarHBondContact N-O 2.81Å; V200-F209 PolarHBondContact O-N 2.65Å; N207-F209 PolarHBondContact O-N 2.87Å; F209-I336 CarbonylContact C-O 3.57Å; F209-I336 VanDerWaalsContact CA-O 3.32Å; F209-I336 WeakPolarHBondContact CA-O 2.95Å; F209-I336 HydrophobicContact CD1-CB 3.82Å; F209-I336 HydrophobicContact CD1-CG2 4.28Å; F209-I336 HydrophobicContact CE1-CB 4.08Å; F209-I336 HydrophobicContact CE1-CD1 4.02Å; F209-I336 HydrophobicContact CE1-CG2 4.4Å; F209-V338 HydrophobicContact CD1-CG2 3.68Å; F209-V338 HydrophobicContact CE1-CG2 4.28Å; F209-V338 HydrophobicContact CG-CG2 4.48Å; F209-F350 HydrophobicContact CE1-CE1 4.23Å; F209-I351 HydrophobicContact CB-CD1 4.04Å; F209-I351 HydrophobicContact CB-CG1 4.31Å; F209-I351 HydrophobicContact CD1-CG1 4.3Å; F209-I351 HydrophobicContact CD2-CB 4.4Å; F209-I351 HydrophobicContact CD2-CD1 4.48Å; F209-I351 HydrophobicContact CD2-CG1 4Å; F209-I351 HydrophobicContact CD2-CG2 3.75Å; F209-I351 HydrophobicContact CE2-CG1 4.38Å; F209-I351 HydrophobicContact CE2-CG2 3.96Å; F209-I351 HydrophobicContact CG-CD1 4.23Å; F209-I351 HydrophobicContact CG-CG1 3.95Å; F209-D354 HydrophobicContact CZ-CB 4.22Å; F209-D354 VanDerWaalsContact CZ-OD2 3.28Å; F209-D354 WeakPolarHBondContact CZ-OD2 3.47Å
210	I	98.9	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114	158.6	-70.3	167.1	0	0	0	107.5	V181 A197 S198 Y199 A212 M226 Q230 P335 I336 V337 V338	V181-I210 HydrophobicContact CG2-CD1 4.09Å; V181-I210 HydrophobicContact CG2-CG1 3.98Å; V181-I210 HydrophobicContact CG2-CG2 3.79Å; A197-I210 HydrophobicContact CB-CG2 3.78Å; S198-I210 CarbonylContact O-C 3.48Å; S198-I210 WeakPolarHBondContact O-CA 3Å; Y199-I210 HydrophobicContact CD1-CD1 4.34Å; Y199-I210 HydrophobicContact CD1-CG1 3.73Å; Y199-I210 HydrophobicContact CE1-CD1 3.93Å; Y199-I210 HydrophobicContact CE1-CG1 3.85Å; I210-A212 HydrophobicContact CG2-CB 4.35Å; I210-M226 HydrophobicContact CG2-CE 4.16Å; I210-M226 HydrophobicContact CG2-SD 3.91Å; I210-Q230 HydrophobicContact CD1-CB 4.06Å; I210-Q230 HydrophobicContact CD1-CG 3.94Å; I210-P335 HydrophobicContact CD1-CB 3.93Å; I210-P335 HydrophobicContact CD1-CG 4.15Å; I210-P335 HydrophobicContact CG1-CB 3.82Å; I210-P335 HydrophobicContact CG1-CG 4.3Å; I210-I336 PolarHBondContact N-O 2.9Å; I210-V337 HydrophobicContact CB-CG2 4.09Å; I210-V337 HydrophobicContact CD1-CG2 4.25Å; I210-V337 HydrophobicContact CG2-CG2 4.36Å; I210-V338 PolarHBondContact O-N 3.25Å
211	A	98.8	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	108.5	171.8	0	0	0	0	0	109.5	A197 S198 V200 V338 T347 I351 L382	A197-A211 WeakPolarHBondContact CA-O 3.37Å; S198-A211 PolarHBondContact N-O 2.91Å; S198-A211 PolarHBondContact O-N 3.19Å; V200-A211 HydrophobicContact CG2-CB 3.68Å; A211-V338 WeakPolarHBondContact CA-O 3.37Å; A211-T347 HydrophobicContact CB-CG2 3.7Å; A211-I351 HydrophobicContact CB-CD1 4.26Å; A211-L382 HydrophobicContact CB-CD2 4.4Å
212	A	98.8	Very high	97.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.9	-174	0	0	0	0	0	112.4	A197 I210 F223 M226 V337 V338 H339 G343	A197-A212 HydrophobicContact CB-CB 3.76Å; I210-A212 HydrophobicContact CG2-CB 4.35Å; A212-F223 HydrophobicContact CB-CE2 4.1Å; A212-M226 HydrophobicContact CB-CE 4.31Å; A212-V337 HydrophobicContact CB-CG1 4.39Å; A212-V338 PolarHBondContact N-O 3.02Å; A212-H339 HydrophobicContact CB-CB 4.28Å; A212-H339 WeakPolarHBondContact O-CA 3.35Å; A212-H339 WeakPolarHBondContact O-CB 3.37Å; A212-G343 WeakPolarHBondContact O-CA 3.33Å
213	Q	98.4	Very high	97.4	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.033	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-67.6	155.4	165.4	76.9	174.6	16.8	0	0	110.8	K167 N196	K167-Q213 PolarHBondContact O-NE2 3.18Å; N196-Q213 HydrophobicContact CB-CG 4Å; N196-Q213 PolarHBondContact O-N 3.21Å; N196-Q213 VanDerWaalsContact O-N 3.13Å
214	G	98.4	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-65	122.9	166.1	0	0	0	0	0	109.5	R169 K216 C340 S341	R169-G214 PolarHBondContact NE-O 3.27Å; R169-G214 PolarHBondContact NH2-O 3.07Å; R169-G214 VanDerWaalsContact NH2-O 3.14Å; G214-K216 PolarHBondContact O-N 2.85Å; G214-C340 WeakPolarHBondContact CA-O 3.4Å; G214-C340 PolarHBondContact N-O 2.99Å; G214-S341 PolarHBondContact N-O 3.4Å
215	P	98.3	Very high	97.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.013	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-58.3	141.1	-172.8	23.2	-34.3	0	0	0	111.3	R169 V220 F223 Y250 Y252	R169-P215 PolarHBondContact NH2-O 3.44Å; P215-V220 HydrophobicContact CB-CG2 4.32Å; P215-F223 HydrophobicContact CB-CB 4.04Å; P215-F223 HydrophobicContact CB-CD2 4.38Å; P215-F223 HydrophobicContact CB-CG 4.14Å; P215-F223 HydrophobicContact CG-CB 4.43Å; P215-F223 HydrophobicContact CG-CD1 4.17Å; P215-F223 HydrophobicContact CG-CD2 4.34Å; P215-F223 HydrophobicContact CG-CG 4.07Å; P215-Y250 WeakPolarHBondContact O-CB 3.42Å; P215-Y250 PolarHBondContact O-N 3.29Å; P215-Y252 HydrophobicContact CG-CD1 3.43Å; P215-Y252 VanDerWaalsContact CG-CD1 3.43Å; P215-Y252 HydrophobicContact CG-CE1 4.16Å; P215-Y252 HydrophobicContact CG-CG 3.86Å
216	K	97.8	Very high	98	Very high	38 Å²	38	30.6 Å²	30.6	17%	0.165	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-81.7	164.7	164.9	-49.7	174.6	77.8	-163.2	0	108.6	E166 R169 G214 E218 T219 V220	E166-K216 PolarHBondContact O-NZ 3.19Å; R169-K216 HydrophobicContact CB-CD 4.43Å; R169-K216 HydrophobicContact CB-CG 4.29Å; G214-K216 PolarHBondContact O-N 2.85Å; K216-E218 VanDerWaalsContact C-N 3.26Å; K216-E218 HydrophobicContact CB-CG 4.24Å; K216-E218 VanDerWaalsContact CB-OE2 3.27Å; K216-E218 WeakPolarHBondContact CB-OE2 3.34Å; K216-E218 WeakPolarHBondContact CD-OE1 3.14Å; K216-E218 WeakPolarHBondContact CE-OE1 3.49Å; K216-E218 IonicContact NZ-OE1 2.69Å; K216-E218 PolarHBondContact NZ-OE1 2.81Å; K216-E218 PolarHBondContact O-N 3.37Å; K216-T219 PolarHBondContact N-OG1 2.96Å; K216-T219 PolarHBondContact O-N 3.16Å; K216-T219 PolarHBondContact O-OG1 3.28Å; K216-T219 VanDerWaalsContact O-OG1 3.12Å; K216-V220 WeakPolarHBondContact O-CG2 3.43Å; K216-V220 PolarHBondContact O-N 3.21Å; K216-V220 VanDerWaalsContact O-N 3.14Å
217	E	96.8	Very high	98.1	Very high	123 Å²	123	22.6 Å²	22.6	58%	0.575	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-51.8	-47.7	178.7	-178.1	160.3	-145	0	0	111.8	T219 V220 Y250	E217-T219 VanDerWaalsContact C-N 3.25Å; E217-T219 PolarHBondContact O-N 3.12Å; E217-V220 PolarHBondContact O-N 2.93Å; E217-Y250 HydrophobicContact CB-CD2 3.69Å; E217-Y250 HydrophobicContact CB-CE2 3.59Å; E217-Y250 HydrophobicContact CB-CG 4.18Å; E217-Y250 HydrophobicContact CG-CD2 4.28Å; E217-Y250 HydrophobicContact CG-CE1 4.38Å; E217-Y250 HydrophobicContact CG-CE2 3.65Å; E217-Y250 PolarHBondContact OE1-OH 3.19Å
218	E	95.8	Very high	98.1	Very high	107 Å²	107	19.6 Å²	19.6	50%	0.5	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-70.3	-13.2	179.5	63.4	-89.7	-148.2	0	0	114.6	K216	K216-E218 VanDerWaalsContact C-N 3.26Å; K216-E218 HydrophobicContact CB-CG 4.24Å; K216-E218 VanDerWaalsContact CB-OE2 3.27Å; K216-E218 WeakPolarHBondContact CB-OE2 3.34Å; K216-E218 WeakPolarHBondContact CD-OE1 3.14Å; K216-E218 WeakPolarHBondContact CE-OE1 3.49Å; K216-E218 IonicContact NZ-OE1 2.69Å; K216-E218 PolarHBondContact NZ-OE1 2.81Å; K216-E218 PolarHBondContact O-N 3.37Å
219	T	97.9	Very high	98	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.037	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-113.3	3.1	-178.9	52.7	0	0	0	0	113.5	K167 K216 E217 A221 D222 F223	K167-T219 HydrophobicContact CB-CG2 3.85Å; K167-T219 HydrophobicContact CG-CG2 4.02Å; K216-T219 PolarHBondContact N-OG1 2.96Å; K216-T219 PolarHBondContact O-N 3.16Å; K216-T219 PolarHBondContact O-OG1 3.28Å; K216-T219 VanDerWaalsContact O-OG1 3.12Å; E217-T219 VanDerWaalsContact C-N 3.25Å; E217-T219 PolarHBondContact O-N 3.12Å; T219-A221 VanDerWaalsContact C-N 3.29Å; T219-A221 PolarHBondContact O-N 2.79Å; T219-D222 PolarHBondContact O-N 3.45Å; T219-F223 PolarHBondContact O-N 3.32Å
220	V	98.3	Very high	97.9	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-59.7	-40	177.5	176.6	0	0	0	0	111.7	P215 K216 E217 F223 W224 Y250 Y261	P215-V220 HydrophobicContact CB-CG2 4.32Å; K216-V220 WeakPolarHBondContact O-CG2 3.43Å; K216-V220 PolarHBondContact O-N 3.21Å; K216-V220 VanDerWaalsContact O-N 3.14Å; E217-V220 PolarHBondContact O-N 2.93Å; V220-F223 PolarHBondContact O-N 2.8Å; V220-W224 PolarHBondContact O-N 3.38Å; V220-W224 VanDerWaalsContact O-N 3.07Å; V220-Y250 HydrophobicContact CG2-CD1 3.54Å; V220-Y250 HydrophobicContact CG2-CE1 4.08Å; V220-Y250 HydrophobicContact CG2-CG 4.37Å; V220-Y261 HydrophobicContact CB-CD1 4.33Å; V220-Y261 HydrophobicContact CG1-CD1 3.27Å; V220-Y261 HydrophobicContact CG1-CE1 3.61Å; V220-Y261 HydrophobicContact CG1-CG 3.86Å
221	A	97.3	Very high	97.8	Very high	38 Å²	38	29.3 Å²	29.3	31%	0.314	14%	0.141	S	C	.	.	H	α-helix	trans	-64.2	-42.2	177.7	0	0	0	0	0	111.9	T219 F223 W224 R225	T219-A221 VanDerWaalsContact C-N 3.29Å; T219-A221 PolarHBondContact O-N 2.79Å; A221-F223 VanDerWaalsContact C-N 3.33Å; A221-W224 PolarHBondContact O-N 2.87Å; A221-R225 VanDerWaalsContact O-CB 3.32Å; A221-R225 WeakPolarHBondContact O-CB 3.34Å; A221-R225 PolarHBondContact O-N 3.29Å
222	D	98.3	Very high	97.8	Very high	22 Å²	22	29.6 Å²	29.6	12%	0.118	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-38.8	175.6	-70.7	-22.4	0	0	0	111.4	K167 L183 I195 T219 R225 M226	K167-D222 IonicContact NZ-OD2 3.18Å; L183-D222 HydrophobicContact CD1-CB 4.04Å; I195-D222 HydrophobicContact CD1-CB 4.25Å; T219-D222 PolarHBondContact O-N 3.45Å; D222-R225 PolarHBondContact O-N 3.06Å; D222-R225 IonicContact OD1-CZ 3.62Å; D222-R225 IonicContact OD1-NE 2.59Å; D222-R225 IonicContact OD1-NH2 2.71Å; D222-R225 PolarHBondContact OD1-NH2 3.5Å; D222-M226 WeakPolarHBondContact O-CB 3.32Å; D222-M226 PolarHBondContact O-N 3.39Å
223	F	98.8	Very high	97.7	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-46	177.7	-169.7	-100.5	0	0	0	112.5	I195 A212 P215 T219 V220 A221 M226 I227 V235 Y252 V337	I195-F223 HydrophobicContact CD1-CB 4.43Å; I195-F223 HydrophobicContact CD1-CD2 4.46Å; A212-F223 HydrophobicContact CB-CE2 4.1Å; P215-F223 HydrophobicContact CB-CB 4.04Å; P215-F223 HydrophobicContact CB-CD2 4.38Å; P215-F223 HydrophobicContact CB-CG 4.14Å; P215-F223 HydrophobicContact CG-CB 4.43Å; P215-F223 HydrophobicContact CG-CD1 4.17Å; P215-F223 HydrophobicContact CG-CD2 4.34Å; P215-F223 HydrophobicContact CG-CG 4.07Å; T219-F223 PolarHBondContact O-N 3.32Å; V220-F223 PolarHBondContact O-N 2.8Å; A221-F223 VanDerWaalsContact C-N 3.33Å; F223-M226 HydrophobicContact CD2-CE 3.94Å; F223-M226 HydrophobicContact CE2-CE 3.88Å; F223-M226 WeakPolarHBondContact O-CB 3.41Å; F223-M226 PolarHBondContact O-N 3.15Å; F223-I227 HydrophobicContact CD1-CD1 3.75Å; F223-I227 HydrophobicContact CE1-CD1 3.53Å; F223-I227 HydrophobicContact CE1-CG1 4.47Å; F223-I227 HydrophobicContact CZ-CD1 4.31Å; F223-I227 WeakPolarHBondContact O-CG1 3.4Å; F223-I227 PolarHBondContact O-N 2.96Å; F223-V235 HydrophobicContact CZ-CG1 4.46Å; F223-Y252 HydrophobicContact CD1-CD2 4.11Å; F223-Y252 HydrophobicContact CD1-CE2 4.36Å; F223-Y252 HydrophobicContact CD1-CG 4.34Å; F223-Y252 AromaticContact CE1-CD2 3.92Å; F223-Y252 HydrophobicContact CE1-CD2 3.92Å; F223-Y252 HydrophobicContact CE1-CE1 4.35Å; F223-Y252 AromaticContact CE1-CE2 3.71Å; F223-Y252 HydrophobicContact CE1-CE2 3.71Å; F223-Y252 HydrophobicContact CE1-CG 4.33Å; F223-Y252 AromaticContact CE1-CZ 3.9Å; F223-V337 HydrophobicContact CE2-CG1 4.1Å; F223-V337 HydrophobicContact CZ-CG1 3.87Å
224	W	98.4	Very high	97.7	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-69.5	-33.6	175.1	-81	112.7	0	0	0	113.3	V220 A221 M226 I227 W228 Y252 Y261 V264 V266 F282 V284 V298	V220-W224 PolarHBondContact O-N 3.38Å; V220-W224 VanDerWaalsContact O-N 3.07Å; A221-W224 PolarHBondContact O-N 2.87Å; W224-M226 VanDerWaalsContact C-N 3.35Å; W224-I227 HydrophobicContact CD2-CD1 4.18Å; W224-I227 HydrophobicContact CE3-CB 4.14Å; W224-I227 HydrophobicContact CE3-CD1 3.66Å; W224-I227 HydrophobicContact CE3-CG2 3.94Å; W224-I227 HydrophobicContact CH2-CD1 4.42Å; W224-I227 HydrophobicContact CZ3-CD1 3.8Å; W224-I227 HydrophobicContact CZ3-CG2 3.97Å; W224-I227 PolarHBondContact O-N 3.43Å; W224-W228 WeakPolarHBondContact O-CB 3.34Å; W224-W228 PolarHBondContact O-N 3.1Å; W224-Y252 AromaticContact CZ2-CD2 3.88Å; W224-Y252 HydrophobicContact CZ2-CD2 3.88Å; W224-Y252 HydrophobicContact CZ2-CE2 4.33Å; W224-Y252 PolarHBondContact NE1-O 3.03Å; W224-Y261 AromaticContact CD1-CD2 3.39Å; W224-Y261 AromaticContact CD1-CG 3.55Å; W224-Y261 HydrophobicContact CG-CD2 4.16Å; W224-Y261 HydrophobicContact CG-CG 4.45Å; W224-Y261 AromaticContact NE1-CD2 3.45Å; W224-Y261 AromaticContact NE1-CE2 3.61Å; W224-Y261 AromaticContact NE1-CG 3.98Å; W224-V264 HydrophobicContact CB-CB 4.02Å; W224-V264 HydrophobicContact CB-CG1 4.07Å; W224-V264 HydrophobicContact CB-CG2 4.39Å; W224-V266 HydrophobicContact CD2-CG2 3.55Å; W224-V266 HydrophobicContact CE3-CG2 3.76Å; W224-V266 HydrophobicContact CG-CG2 4.07Å; W224-V266 HydrophobicContact CH2-CG1 3.72Å; W224-V266 HydrophobicContact CH2-CG2 4.06Å; W224-V266 HydrophobicContact CZ2-CB 4.37Å; W224-V266 HydrophobicContact CZ2-CG1 3.69Å; W224-V266 HydrophobicContact CZ2-CG2 3.87Å; W224-V266 HydrophobicContact CZ3-CG1 4.33Å; W224-V266 HydrophobicContact CZ3-CG2 4.01Å; W224-F282 HydrophobicContact CH2-CD2 4.09Å; W224-F282 HydrophobicContact CH2-CE2 4.43Å; W224-F282 HydrophobicContact CH2-CG 4.46Å; W224-V284 HydrophobicContact CE3-CG1 4.41Å; W224-V284 HydrophobicContact CE3-CG2 4.37Å; W224-V284 HydrophobicContact CH2-CG2 4.42Å; W224-V284 HydrophobicContact CZ3-CG2 3.75Å; W224-V298 HydrophobicContact CZ3-CG1 4.44Å
225	R	97.6	Very high	97.8	Very high	19 Å²	19	29.9 Å²	29.9	7%	0.072	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-43.6	171.5	-180	164.5	56.6	128.2	1	111.1	T184 S192 A221 D222 W228 E229	T184-R225 PolarHBondContact O-NH1 2.54Å; S192-R225 PolarHBondContact O-NH1 3.39Å; S192-R225 VanDerWaalsContact O-NH1 3.1Å; S192-R225 PolarHBondContact O-NH2 3.31Å; A221-R225 VanDerWaalsContact O-CB 3.32Å; A221-R225 WeakPolarHBondContact O-CB 3.34Å; A221-R225 PolarHBondContact O-N 3.29Å; D222-R225 PolarHBondContact O-N 3.06Å; D222-R225 IonicContact OD1-CZ 3.62Å; D222-R225 IonicContact OD1-NE 2.59Å; D222-R225 IonicContact OD1-NH2 2.71Å; D222-R225 PolarHBondContact OD1-NH2 3.5Å; R225-W228 PolarHBondContact O-N 3.16Å; R225-E229 WeakPolarHBondContact CD-OE1 3.41Å; R225-E229 HydrophobicContact CG-CG 4.25Å; R225-E229 WeakPolarHBondContact CG-OE1 3.5Å; R225-E229 WeakPolarHBondContact O-CB 3.29Å; R225-E229 WeakPolarHBondContact O-CG 3.25Å; R225-E229 PolarHBondContact O-N 3.44Å
226	M	98.6	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.4	-52	172.3	-173	-173.8	64.3	0	0	111.6	V181 L183 I195 A197 I210 A212 D222 F223 W224 W228 E229 Q230 V337	V181-M226 HydrophobicContact CB-SD 4.31Å; V181-M226 HydrophobicContact CG1-CG 3.86Å; V181-M226 HydrophobicContact CG1-SD 4.11Å; V181-M226 HydrophobicContact CG2-SD 4.35Å; L183-M226 HydrophobicContact CD2-CB 3.74Å; L183-M226 HydrophobicContact CD2-CG 4.13Å; I195-M226 HydrophobicContact CD1-CB 3.97Å; I195-M226 HydrophobicContact CD1-CE 4.38Å; I195-M226 HydrophobicContact CD1-CG 4.47Å; I195-M226 HydrophobicContact CD1-SD 3.91Å; I195-M226 HydrophobicContact CG2-SD 4.17Å; A197-M226 HydrophobicContact CB-SD 3.76Å; I210-M226 HydrophobicContact CG2-CE 4.16Å; I210-M226 HydrophobicContact CG2-SD 3.91Å; A212-M226 HydrophobicContact CB-CE 4.31Å; D222-M226 WeakPolarHBondContact O-CB 3.32Å; D222-M226 PolarHBondContact O-N 3.39Å; F223-M226 HydrophobicContact CD2-CE 3.94Å; F223-M226 HydrophobicContact CE2-CE 3.88Å; F223-M226 WeakPolarHBondContact O-CB 3.41Å; F223-M226 PolarHBondContact O-N 3.15Å; W224-M226 VanDerWaalsContact C-N 3.35Å; M226-W228 PolarHBondContact O-N 3.13Å; M226-E229 PolarHBondContact O-N 2.87Å; M226-Q230 HydrophobicContact CG-CG 4.09Å; M226-Q230 VanDerWaalsContact O-CB 3.25Å; M226-Q230 WeakPolarHBondContact O-CB 3.42Å; M226-Q230 VanDerWaalsContact O-CG 3.25Å; M226-Q230 WeakPolarHBondContact O-CG 3.49Å; M226-Q230 PolarHBondContact O-N 3.44Å; M226-V337 HydrophobicContact CE-CG1 4.04Å; M226-V337 HydrophobicContact CE-CG2 3.9Å
227	I	98.4	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-54.3	-44.3	178.5	-73.4	168.6	0	0	0	110.8	F223 W224 K231 V232 V235 V298	F223-I227 HydrophobicContact CD1-CD1 3.75Å; F223-I227 HydrophobicContact CE1-CD1 3.53Å; F223-I227 HydrophobicContact CE1-CG1 4.47Å; F223-I227 HydrophobicContact CZ-CD1 4.31Å; F223-I227 WeakPolarHBondContact O-CG1 3.4Å; F223-I227 PolarHBondContact O-N 2.96Å; W224-I227 HydrophobicContact CD2-CD1 4.18Å; W224-I227 HydrophobicContact CE3-CB 4.14Å; W224-I227 HydrophobicContact CE3-CD1 3.66Å; W224-I227 HydrophobicContact CE3-CG2 3.94Å; W224-I227 HydrophobicContact CH2-CD1 4.42Å; W224-I227 HydrophobicContact CZ3-CD1 3.8Å; W224-I227 HydrophobicContact CZ3-CG2 3.97Å; W224-I227 PolarHBondContact O-N 3.43Å; I227-K231 PolarHBondContact O-N 3.04Å; I227-V232 HydrophobicContact CB-CB 4.34Å; I227-V232 HydrophobicContact CG1-CB 4.47Å; I227-V232 HydrophobicContact CG2-CB 4.02Å; I227-V232 HydrophobicContact CG2-CG1 4.45Å; I227-V232 PolarHBondContact O-N 3.05Å; I227-V235 HydrophobicContact CD1-CG2 3.84Å; I227-V235 HydrophobicContact CG1-CG2 4.32Å; I227-V298 HydrophobicContact CG2-CG1 4.37Å; I227-V298 HydrophobicContact CG2-CG2 4.17Å
228	W	96.9	Very high	97.9	Very high	11 Å²	11	22.1 Å²	22.1	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-49.8	-179.9	179.3	-98.9	0	0	0	113.5	W224 R225 M226 K231 V264 V284 H286 K293 T294 R296	W224-W228 WeakPolarHBondContact O-CB 3.34Å; W224-W228 PolarHBondContact O-N 3.1Å; R225-W228 PolarHBondContact O-N 3.16Å; M226-W228 PolarHBondContact O-N 3.13Å; W228-K231 PolarHBondContact O-N 3.17Å; W228-V264 HydrophobicContact CB-CG2 4.22Å; W228-V284 HydrophobicContact CE3-CG1 4.04Å; W228-V284 WeakPolarHBondContact CZ3-O 3.28Å; W228-H286 AromaticContact CD1-CD2 3.65Å; W228-H286 AromaticContact CD1-CG 3.97Å; W228-H286 HydrophobicContact CD2-CB 3.76Å; W228-H286 HydrophobicContact CE3-CB 4.42Å; W228-H286 HydrophobicContact CG-CB 4.13Å; W228-H286 HydrophobicContact CH2-CB 4.16Å; W228-H286 HydrophobicContact CZ2-CB 3.47Å; W228-H286 VanDerWaalsContact CZ2-CB 3.47Å; W228-H286 VanDerWaalsContact NE1-CB 3.31Å; W228-H286 AromaticContact NE1-CD2 3.8Å; W228-H286 AromaticContact NE1-CG 3.64Å; W228-K293 HydrophobicContact CH2-CB 3.98Å; W228-K293 HydrophobicContact CZ2-CB 3.62Å; W228-K293 HydrophobicContact CZ2-CD 3.69Å; W228-K293 HydrophobicContact CZ2-CG 4.26Å; W228-T294 WeakPolarHBondContact CH2-O 3.31Å; W228-R296 HydrophobicContact CH2-CG 4.18Å; W228-R296 HydrophobicContact CZ3-CB 4.28Å; W228-R296 HydrophobicContact CZ3-CG 3.81Å; W228-R296 PolarHBondContact O-NH1 3.33Å
229	E	96.5	Very high	97.9	Very high	50 Å²	50	17.1 Å²	17.1	23%	0.234	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-41.4	-177.5	-72.9	-177.5	-159.6	0	0	111.5	T184 R225 M226 K231	T184-E229 WeakPolarHBondContact CB-OE1 3.48Å; T184-E229 PolarHBondContact N-OE2 3.09Å; T184-E229 VanDerWaalsContact OG1-CD 3.25Å; T184-E229 PolarHBondContact OG1-OE1 3.34Å; T184-E229 PolarHBondContact OG1-OE2 3.46Å; R225-E229 WeakPolarHBondContact CD-OE1 3.41Å; R225-E229 HydrophobicContact CG-CG 4.25Å; R225-E229 WeakPolarHBondContact CG-OE1 3.5Å; R225-E229 WeakPolarHBondContact O-CB 3.29Å; R225-E229 WeakPolarHBondContact O-CG 3.25Å; R225-E229 PolarHBondContact O-N 3.44Å; M226-E229 PolarHBondContact O-N 2.87Å; E229-K231 PolarHBondContact O-N 2.85Å
230	Q	97.6	Very high	97.9	Very high	39 Å²	39	19 Å²	19	18%	0.182	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.5	179.9	-57.1	-54.8	-44.4	0	0	113.2	V181 Y199 I210 M226 V232 G334	V181-Q230 HydrophobicContact CG1-CG 4.06Å; Y199-Q230 PolarHBondContact OH-NE2 2.81Å; Y199-Q230 PolarHBondContact OH-OE1 2.6Å; I210-Q230 HydrophobicContact CD1-CB 4.06Å; I210-Q230 HydrophobicContact CD1-CG 3.94Å; M226-Q230 HydrophobicContact CG-CG 4.09Å; M226-Q230 VanDerWaalsContact O-CB 3.25Å; M226-Q230 WeakPolarHBondContact O-CB 3.42Å; M226-Q230 VanDerWaalsContact O-CG 3.25Å; M226-Q230 WeakPolarHBondContact O-CG 3.49Å; M226-Q230 PolarHBondContact O-N 3.44Å; Q230-V232 HydrophobicContact CB-CG2 3.85Å; Q230-V232 PolarHBondContact O-N 2.93Å; Q230-G334 WeakPolarHBondContact O-CA 3.5Å
231	K	96.3	Very high	97.8	Very high	141 Å²	141	20.9 Å²	20.9	61%	0.613	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	38.8	179.8	-53.2	177	-175.5	173.2	0	112.6	I227 W228 E229 A233 G334	I227-K231 PolarHBondContact O-N 3.04Å; W228-K231 PolarHBondContact O-N 3.17Å; E229-K231 PolarHBondContact O-N 2.85Å; K231-A233 PolarHBondContact O-N 3.37Å; K231-G334 WeakPolarHBondContact O-CA 3.28Å; K231-G334 PolarHBondContact O-N 3.19Å
232	V	97.9	Very high	97.6	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.036	12%	0.12	C	C	.	.			trans	-68.4	127.9	-179.6	176	0	0	0	0	108.7	I227 Q230 T234 V235 P335 V337	I227-V232 HydrophobicContact CB-CB 4.34Å; I227-V232 HydrophobicContact CG1-CB 4.47Å; I227-V232 HydrophobicContact CG2-CB 4.02Å; I227-V232 HydrophobicContact CG2-CG1 4.45Å; I227-V232 PolarHBondContact O-N 3.05Å; Q230-V232 HydrophobicContact CB-CG2 3.85Å; Q230-V232 PolarHBondContact O-N 2.93Å; V232-T234 VanDerWaalsContact CG1-O 3.23Å; V232-T234 WeakPolarHBondContact CG1-O 3.45Å; V232-V235 HydrophobicContact CG1-CG2 4.1Å; V232-P335 WeakPolarHBondContact CG2-O 3.49Å; V232-V337 HydrophobicContact CB-CG2 4.25Å; V232-V337 HydrophobicContact CG1-CB 4.19Å; V232-V337 HydrophobicContact CG1-CG2 3.75Å; V232-V337 HydrophobicContact CG2-CG2 3.56Å
233	A	98	Very high	97.2	Very high	14 Å²	14	25.1 Å²	25.1	12%	0.116	12%	0.117	C	C	.	.			trans	-101.6	-21.7	172.9	0	0	0	0	0	112.4	K231 V298 T299 P330	K231-A233 PolarHBondContact O-N 3.37Å; A233-V298 CarbonylContact O-C 3.56Å; A233-V298 WeakPolarHBondContact O-CA 3.46Å; A233-T299 PolarHBondContact O-N 3.32Å; A233-P330 HydrophobicContact CB-CG 3.95Å
234	T	98.6	Very high	96.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127.8	-173	-52.2	0	0	0	0	111.3	V232 V236 T299 L301 V325 V328 N329 I336 V337	V232-T234 VanDerWaalsContact CG1-O 3.23Å; V232-T234 WeakPolarHBondContact CG1-O 3.45Å; T234-V236 HydrophobicContact CG2-CG2 4.48Å; T234-T299 CarbonylContact C-O 3.47Å; T234-T299 WeakPolarHBondContact CA-O 3.42Å; T234-L301 HydrophobicContact CG2-CD1 3.55Å; T234-V325 HydrophobicContact CG2-CG1 4.12Å; T234-V328 HydrophobicContact CG2-CG2 4.45Å; T234-N329 VanDerWaalsContact CB-OD1 3.29Å; T234-N329 WeakPolarHBondContact CB-OD1 3.4Å; T234-N329 WeakPolarHBondContact OG1-CA 3.19Å; T234-N329 WeakPolarHBondContact OG1-CB 3.26Å; T234-N329 PolarHBondContact OG1-OD1 3.39Å; T234-I336 HydrophobicContact CG2-CG2 4.34Å; T234-V337 PolarHBondContact O-N 2.89Å
235	V	98.8	Very high	95.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.6	175.6	-176.8	0	0	0	0	109.2	F223 I227 V232 Y252 V298 T299 Q300 L301 V337	F223-V235 HydrophobicContact CZ-CG1 4.46Å; I227-V235 HydrophobicContact CD1-CG2 3.84Å; I227-V235 HydrophobicContact CG1-CG2 4.32Å; V232-V235 HydrophobicContact CG1-CG2 4.1Å; V235-Y252 WeakPolarHBondContact CG1-OH 3.17Å; V235-V298 HydrophobicContact CG2-CG1 3.98Å; V235-T299 PolarHBondContact N-O 3.42Å; V235-Q300 HydrophobicContact CB-CB 4.35Å; V235-Q300 HydrophobicContact CB-CG 4.41Å; V235-Q300 HydrophobicContact CG1-CG 4.45Å; V235-Q300 CarbonylContact O-C 3.43Å; V235-Q300 VanDerWaalsContact O-CA 3.27Å; V235-Q300 WeakPolarHBondContact O-CA 3.48Å; V235-L301 PolarHBondContact O-N 3.35Å; V235-V337 CarbonylContact C-O 3.5Å; V235-V337 WeakPolarHBondContact CA-O 3.23Å; V235-V337 HydrophobicContact CG1-CG1 4.32Å; V235-V337 HydrophobicContact CG2-CB 4.45Å
236	V	98.8	Very high	95.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113	179.2	-179.4	0	0	0	0	108.7	T234 L238 L301 F321 V325 I336 V337 V338 H339 F350	T234-V236 HydrophobicContact CG2-CG2 4.48Å; V236-L238 HydrophobicContact CG1-CD1 4.4Å; V236-L238 HydrophobicContact CG1-CD2 4.03Å; V236-L238 HydrophobicContact CG1-CG 4.02Å; V236-L301 WeakPolarHBondContact CA-O 3.31Å; V236-F321 HydrophobicContact CG1-CE1 3.54Å; V236-F321 HydrophobicContact CG1-CZ 3.83Å; V236-V325 HydrophobicContact CG2-CB 4.48Å; V236-V325 HydrophobicContact CG2-CG1 3.75Å; V236-V325 HydrophobicContact CG2-CG2 3.78Å; V236-I336 HydrophobicContact CG2-CG2 3.72Å; V236-V337 PolarHBondContact N-O 2.9Å; V236-V338 HydrophobicContact CB-CB 4.34Å; V236-V338 HydrophobicContact CB-CG1 4.11Å; V236-V338 HydrophobicContact CB-CG2 4.11Å; V236-V338 HydrophobicContact CG1-CG1 4.05Å; V236-V338 HydrophobicContact CG2-CG2 4.39Å; V236-V338 WeakPolarHBondContact O-CA 3.49Å; V236-H339 PolarHBondContact O-N 3.37Å; V236-F350 HydrophobicContact CG1-CD1 4.45Å; V236-F350 HydrophobicContact CG1-CD2 4.27Å; V236-F350 HydrophobicContact CG1-CE1 4.28Å; V236-F350 HydrophobicContact CG1-CE2 4.09Å; V236-F350 HydrophobicContact CG1-CG 4.46Å; V236-F350 HydrophobicContact CG1-CZ 4.11Å; V236-F350 HydrophobicContact CG2-CE1 4.32Å; V236-F350 HydrophobicContact CG2-CZ 4.17Å
237	M	98.7	Very high	95.2	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.3	178.9	176.8	166.5	176.6	0	0	109.7	T239 L241 C249 Y252 W253 L301 H302 F303 H339	M237-T239 HydrophobicContact CE-CG2 4.35Å; M237-T239 WeakPolarHBondContact CE-O 3.45Å; M237-L241 HydrophobicContact CE-CD2 3.91Å; M237-L241 HydrophobicContact CE-CG 4.43Å; M237-C249 HydrophobicContact CE-CB 4.16Å; M237-Y252 HydrophobicContact SD-CE1 3.98Å; M237-W253 HydrophobicContact CE-CH2 3.84Å; M237-W253 HydrophobicContact CE-CZ3 3.91Å; M237-W253 HydrophobicContact SD-CH2 3.95Å; M237-W253 HydrophobicContact SD-CZ3 3.65Å; M237-L301 PolarHBondContact N-O 2.89Å; M237-H302 HydrophobicContact CB-CB 4.15Å; M237-H302 HydrophobicContact CG-CB 4.4Å; M237-H302 CarbonylContact O-C 3.53Å; M237-H302 VanDerWaalsContact O-CA 3.31Å; M237-H302 WeakPolarHBondContact O-CA 3.37Å; M237-F303 PolarHBondContact O-N 3.08Å; M237-H339 WeakPolarHBondContact CB-NE2 3.49Å; M237-H339 VanDerWaalsContact CG-CE1 3.46Å; M237-H339 WeakPolarHBondContact CG-CE1 3.39Å
238	L	98.2	Very high	95.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.24	C	C	.	.			trans	-111.3	24	-173.7	-61.5	166.4	0	0	0	112.6	V236 F303 M318 F321 V338 H339 C340 R346 F350	V236-L238 HydrophobicContact CG1-CD1 4.4Å; V236-L238 HydrophobicContact CG1-CD2 4.03Å; V236-L238 HydrophobicContact CG1-CG 4.02Å; L238-F303 HydrophobicContact CD2-CB 3.88Å; L238-F303 HydrophobicContact CD2-CG 4.49Å; L238-M318 HydrophobicContact CD2-CE 4.19Å; L238-F321 HydrophobicContact CD2-CD1 4.46Å; L238-F321 HydrophobicContact CD2-CE1 3.77Å; L238-F321 HydrophobicContact CD2-CZ 4.46Å; L238-V338 HydrophobicContact CD1-CG1 3.7Å; L238-H339 PolarHBondContact N-O 3.38Å; L238-C340 HydrophobicContact CB-CB 4.2Å; L238-R346 HydrophobicContact CB-CB 3.92Å; L238-R346 HydrophobicContact CD1-CB 4.31Å; L238-R346 WeakPolarHBondContact CD1-O 3.5Å; L238-R346 WeakPolarHBondContact O-CD 3.46Å; L238-R346 PolarHBondContact O-NH1 2.96Å; L238-F350 HydrophobicContact CD1-CB 3.55Å; L238-F350 HydrophobicContact CD1-CG 4.14Å; L238-F350 HydrophobicContact CD2-CD2 4.3Å
239	T	96.7	Very high	95.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	24%	0.239	C	C	.	.	S	Bend	trans	-145	142	-179.9	-168.6	0	0	0	0	110.5	M237 E243 K248 C249 H302 C340 R346	M237-T239 HydrophobicContact CE-CG2 4.35Å; M237-T239 WeakPolarHBondContact CE-O 3.45Å; T239-E243 PolarHBondContact OG1-OE1 3.33Å; T239-K248 HydrophobicContact CG2-CB 4.44Å; T239-K248 WeakPolarHBondContact OG1-CB 3.43Å; T239-C249 HydrophobicContact CG2-CB 3.83Å; T239-H302 PolarHBondContact O-NE2 2.47Å; T239-C340 WeakPolarHBondContact CG2-O 3.46Å; T239-R346 PolarHBondContact OG1-NH1 3.29Å
240	N	96.6	Very high	95.2	Very high	44 Å²	44	54.5 Å²	54.5	24%	0.235	25%	0.246	C	C	.	.			trans	-67.1	158.9	163.3	-68.4	-51	0	0	0	109.6	K242 E243 T304	N240-K242 VanDerWaalsContact C-N 3.3Å; N240-K242 PolarHBondContact O-N 2.83Å; N240-E243 HydrophobicContact CB-CG 4.35Å; N240-T304 PolarHBondContact ND2-O 3.28Å
241	L	96.3	Very high	95.2	Very high	45 Å²	45	55.4 Å²	55.4	24%	0.236	25%	0.25	C	S	.	.	S	Bend	trans	-61.4	-42.1	178.3	-67.8	174.1	0	0	0	111.6	M237 K248 C249 Q251 W253	M237-L241 HydrophobicContact CE-CD2 3.91Å; M237-L241 HydrophobicContact CE-CG 4.43Å; L241-K248 PolarHBondContact O-N 3.33Å; L241-C249 HydrophobicContact CD2-CB 4.33Å; L241-C249 VanDerWaalsContact CD2-O 3.23Å; L241-C249 WeakPolarHBondContact CD2-O 3.29Å; L241-C249 PolarHBondContact O-N 3.06Å; L241-Q251 HydrophobicContact CD1-CB 3.92Å; L241-Q251 HydrophobicContact CD1-CG 4.33Å; L241-Q251 HydrophobicContact CD2-CB 4.02Å; L241-W253 HydrophobicContact CD1-CH2 4.03Å; L241-W253 HydrophobicContact CD1-CZ2 4.15Å; L241-W253 HydrophobicContact CD2-CH2 3.6Å; L241-W253 HydrophobicContact CD2-CZ2 4.49Å; L241-W253 HydrophobicContact CD2-CZ3 4.04Å; L241-W253 HydrophobicContact CG-CH2 3.96Å
242	K	93.8	Very high	95.3	Very high	135 Å²	135	48.7 Å²	48.7	59%	0.587	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	138	178.5	-73	178.6	172.9	177	0	110.5	N240 E246 D247	N240-K242 VanDerWaalsContact C-N 3.3Å; N240-K242 PolarHBondContact O-N 2.83Å; K242-E246 VanDerWaalsContact CA-O 3.27Å; K242-E246 WeakPolarHBondContact CA-O 3.23Å; K242-D247 WeakPolarHBondContact CE-OD1 3.37Å; K242-D247 VanDerWaalsContact CG-OD1 3.25Å; K242-D247 WeakPolarHBondContact CG-OD1 3.38Å; K242-D247 IonicContact NZ-OD1 3.79Å
243	E	90.8	Very high	95.3	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.065	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.3	173.1	-64.8	-177.5	174.1	0	0	107.6	T239 N240 K245 E246 K248 D308 R346	T239-E243 PolarHBondContact OG1-OE1 3.33Å; N240-E243 HydrophobicContact CB-CG 4.35Å; E243-K245 PolarHBondContact O-N 3.09Å; E243-K245 VanDerWaalsContact O-N 3.15Å; E243-E246 PolarHBondContact N-O 3.46Å; E243-E246 WeakPolarHBondContact O-CB 3.25Å; E243-E246 PolarHBondContact O-N 3.38Å; E243-K248 HydrophobicContact CB-CD 4.5Å; E243-K248 HydrophobicContact CB-CG 3.9Å; E243-K248 HydrophobicContact CG-CG 3.78Å; E243-K248 WeakPolarHBondContact OE2-CE 2.99Å; E243-D308 HydrophobicContact CB-CB 4.43Å; E243-D308 WeakPolarHBondContact CB-OD1 3.02Å; E243-D308 VanDerWaalsContact CG-OD1 3.31Å; E243-D308 WeakPolarHBondContact CG-OD1 2.77Å; E243-R346 IonicContact OE1-CZ 3.61Å; E243-R346 VanDerWaalsContact OE1-CZ 3.24Å; E243-R346 IonicContact OE1-NH1 3.23Å; E243-R346 PolarHBondContact OE1-NH1 2.86Å; E243-R346 IonicContact OE1-NH2 3.81Å; E243-R346 PolarHBondContact OE1-NH2 3.35Å; E243-R346 IonicContact OE2-NH2 3.12Å; E243-R346 PolarHBondContact OE2-NH2 3.15Å
244	R	79.7	Confident	95.2	Very high	153 Å²	153	48.8 Å²	48.8	58%	0.577	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	38.3	-175.8	-49.6	-172.8	172.3	-145.9	-3	115	E246 D308	R244-E246 VanDerWaalsContact C-N 3.26Å; R244-E246 PolarHBondContact O-N 2.96Å; R244-D308 HydrophobicContact CG-CB 4.19Å; R244-D308 WeakPolarHBondContact CG-OD2 3.49Å; R244-D308 IonicContact NE-OD2 3.89Å; R244-D308 PolarHBondContact NE-OD2 3.46Å
245	K	85.1	Confident	94.9	Very high	199 Å²	199	53.4 Å²	53.4	87%	0.865	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	-6.4	-176	-48.5	174.1	178.7	179.8	0	115.5	E243	E243-K245 PolarHBondContact O-N 3.09Å; E243-K245 VanDerWaalsContact O-N 3.15Å
246	E	90.5	Very high	94.5	Very high	119 Å²	119	61.4 Å²	61.4	56%	0.556	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.7	174	-66.4	-171.9	173	0	0	111.4	K242 E243 R244 K248	K242-E246 VanDerWaalsContact CA-O 3.27Å; K242-E246 WeakPolarHBondContact CA-O 3.23Å; E243-E246 PolarHBondContact N-O 3.46Å; E243-E246 WeakPolarHBondContact O-CB 3.25Å; E243-E246 PolarHBondContact O-N 3.38Å; R244-E246 VanDerWaalsContact C-N 3.26Å; R244-E246 PolarHBondContact O-N 2.96Å; E246-K248 PolarHBondContact O-N 3.02Å; E246-K248 IonicContact OE2-NZ 3.9Å; E246-K248 PolarHBondContact OE2-NZ 3.27Å
247	D	94.3	Very high	94.3	Very high	98 Å²	98	63.9 Å²	63.9	52%	0.524	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	111.2	173.6	-70.8	-47.1	0	0	0	111	R169 K242	R169-D247 PolarHBondContact NH1-O 2.86Å; K242-D247 WeakPolarHBondContact CE-OD1 3.37Å; K242-D247 VanDerWaalsContact CG-OD1 3.25Å; K242-D247 WeakPolarHBondContact CG-OD1 3.38Å; K242-D247 IonicContact NZ-OD1 3.79Å
248	K	96.4	Very high	94.1	Very high	36 Å²	36	66.6 Å²	66.6	16%	0.157	33%	0.325	C	S	.	.			trans	-94.2	-30.9	177.8	-60.7	-53.5	-172.7	-173.5	0	112.3	R169 T239 L241 E243 E246 S341	R169-K248 PolarHBondContact NE-O 3.44Å; T239-K248 HydrophobicContact CG2-CB 4.44Å; T239-K248 WeakPolarHBondContact OG1-CB 3.43Å; L241-K248 PolarHBondContact O-N 3.33Å; E243-K248 HydrophobicContact CB-CD 4.5Å; E243-K248 HydrophobicContact CB-CG 3.9Å; E243-K248 HydrophobicContact CG-CG 3.78Å; E243-K248 WeakPolarHBondContact OE2-CE 2.99Å; E246-K248 PolarHBondContact O-N 3.02Å; E246-K248 IonicContact OE2-NZ 3.9Å; E246-K248 PolarHBondContact OE2-NZ 3.27Å; K248-S341 WeakPolarHBondContact O-CA 3.5Å; K248-S341 WeakPolarHBondContact O-CB 3.4Å; K248-S341 PolarHBondContact O-OG 2.98Å; K248-S341 VanDerWaalsContact O-OG 3.07Å
249	C	97.9	Very high	94	Very high	3 Å²	3	74.1 Å²	74.1	2%	0.02	35%	0.354	C	S	.	.	S	Bend	trans	-153.2	137.1	-180	-177.9	0	0	0	0	108.9	M237 T239 L241	M237-C249 HydrophobicContact CE-CB 4.16Å; T239-C249 HydrophobicContact CG2-CB 3.83Å; L241-C249 HydrophobicContact CD2-CB 4.33Å; L241-C249 VanDerWaalsContact CD2-O 3.23Å; L241-C249 WeakPolarHBondContact CD2-O 3.29Å; L241-C249 PolarHBondContact O-N 3.06Å
250	Y	98.1	Very high	94	Very high	96 Å²	96	76.9 Å²	76.9	38%	0.376	37%	0.37	S	S	.	.			trans	-74.3	147.8	169.7	-169.9	-91.4	0	0	0	109.5	P215 E217 V220 Y252	P215-Y250 WeakPolarHBondContact O-CB 3.42Å; P215-Y250 PolarHBondContact O-N 3.29Å; E217-Y250 HydrophobicContact CB-CD2 3.69Å; E217-Y250 HydrophobicContact CB-CE2 3.59Å; E217-Y250 HydrophobicContact CB-CG 4.18Å; E217-Y250 HydrophobicContact CG-CD2 4.28Å; E217-Y250 HydrophobicContact CG-CE1 4.38Å; E217-Y250 HydrophobicContact CG-CE2 3.65Å; E217-Y250 PolarHBondContact OE1-OH 3.19Å; V220-Y250 HydrophobicContact CG2-CD1 3.54Å; V220-Y250 HydrophobicContact CG2-CE1 4.08Å; V220-Y250 HydrophobicContact CG2-CG 4.37Å; Y250-Y252 PolarHBondContact O-N 3.47Å; Y250-Y252 VanDerWaalsContact O-N 3.08Å
251	Q	98.3	Very high	94	Very high	58 Å²	58	76.1 Å²	76.1	27%	0.271	36%	0.364	S	S	.	.			trans	-72.8	103.5	176.1	-178.9	169.7	-32.9	0	0	109.7	L241 W253 D255	L241-Q251 HydrophobicContact CD1-CB 3.92Å; L241-Q251 HydrophobicContact CD1-CG 4.33Å; L241-Q251 HydrophobicContact CD2-CB 4.02Å; Q251-W253 VanDerWaalsContact C-N 3.35Å; Q251-W253 HydrophobicContact CG-CD2 3.8Å; Q251-W253 HydrophobicContact CG-CE3 4.11Å; Q251-W253 HydrophobicContact CG-CG 4.31Å; Q251-W253 HydrophobicContact CG-CH2 4.18Å; Q251-W253 HydrophobicContact CG-CZ2 3.83Å; Q251-W253 HydrophobicContact CG-CZ3 4.29Å; Q251-W253 WeakPolarHBondContact CG-O 3.44Å; Q251-W253 PolarHBondContact NE2-O 3.49Å; Q251-W253 VanDerWaalsContact NE2-O 3.11Å; Q251-D255 VanDerWaalsContact NE2-CG 3.31Å; Q251-D255 PolarHBondContact NE2-OD1 3.02Å; Q251-D255 PolarHBondContact NE2-OD2 3.43Å
252	Y	98.3	Very high	93.9	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.378	C	S	.	.			trans	-93.6	13.6	-177.4	60.9	-93.3	0	0	0	113.4	P215 F223 W224 V235 M237 Y250 Y261 Q300 H339	P215-Y252 HydrophobicContact CG-CD1 3.43Å; P215-Y252 VanDerWaalsContact CG-CD1 3.43Å; P215-Y252 HydrophobicContact CG-CE1 4.16Å; P215-Y252 HydrophobicContact CG-CG 3.86Å; F223-Y252 HydrophobicContact CD1-CD2 4.11Å; F223-Y252 HydrophobicContact CD1-CE2 4.36Å; F223-Y252 HydrophobicContact CD1-CG 4.34Å; F223-Y252 AromaticContact CE1-CD2 3.92Å; F223-Y252 HydrophobicContact CE1-CD2 3.92Å; F223-Y252 HydrophobicContact CE1-CE1 4.35Å; F223-Y252 AromaticContact CE1-CE2 3.71Å; F223-Y252 HydrophobicContact CE1-CE2 3.71Å; F223-Y252 HydrophobicContact CE1-CG 4.33Å; F223-Y252 AromaticContact CE1-CZ 3.9Å; W224-Y252 AromaticContact CZ2-CD2 3.88Å; W224-Y252 HydrophobicContact CZ2-CD2 3.88Å; W224-Y252 HydrophobicContact CZ2-CE2 4.33Å; W224-Y252 PolarHBondContact NE1-O 3.03Å; V235-Y252 WeakPolarHBondContact CG1-OH 3.17Å; M237-Y252 HydrophobicContact SD-CE1 3.98Å; Y250-Y252 PolarHBondContact O-N 3.47Å; Y250-Y252 VanDerWaalsContact O-N 3.08Å; Y252-Y261 PolarHBondContact O-OH 3.05Å; Y252-Q300 PolarHBondContact OH-NE2 3.24Å; Y252-H339 AromaticContact CE1-CE1 3.62Å; Y252-H339 AromaticContact CE1-NE2 3.43Å; Y252-H339 WeakPolarHBondContact CE1-NE2 3.46Å; Y252-H339 AromaticContact CZ-NE2 3.44Å; Y252-H339 PolarHBondContact OH-NE2 2.95Å
253	W	98.1	Very high	93.8	Very high	8 Å²	8	74 Å²	74	3%	0.03	37%	0.372	C	S	.	.	S	Bend	trans	-129.6	149.8	179	65.1	87.3	0	0	0	111.1	M237 L241 Q251 Y261 F282	M237-W253 HydrophobicContact CE-CH2 3.84Å; M237-W253 HydrophobicContact CE-CZ3 3.91Å; M237-W253 HydrophobicContact SD-CH2 3.95Å; M237-W253 HydrophobicContact SD-CZ3 3.65Å; L241-W253 HydrophobicContact CD1-CH2 4.03Å; L241-W253 HydrophobicContact CD1-CZ2 4.15Å; L241-W253 HydrophobicContact CD2-CH2 3.6Å; L241-W253 HydrophobicContact CD2-CZ2 4.49Å; L241-W253 HydrophobicContact CD2-CZ3 4.04Å; L241-W253 HydrophobicContact CG-CH2 3.96Å; Q251-W253 VanDerWaalsContact C-N 3.35Å; Q251-W253 HydrophobicContact CG-CD2 3.8Å; Q251-W253 HydrophobicContact CG-CE3 4.11Å; Q251-W253 HydrophobicContact CG-CG 4.31Å; Q251-W253 HydrophobicContact CG-CH2 4.18Å; Q251-W253 HydrophobicContact CG-CZ2 3.83Å; Q251-W253 HydrophobicContact CG-CZ3 4.29Å; Q251-W253 WeakPolarHBondContact CG-O 3.44Å; Q251-W253 PolarHBondContact NE2-O 3.49Å; Q251-W253 VanDerWaalsContact NE2-O 3.11Å; W253-Y261 WeakPolarHBondContact CA-OH 3.44Å; W253-F282 HydrophobicContact CB-CE1 3.82Å; W253-F282 HydrophobicContact CB-CZ 3.57Å; W253-F282 HydrophobicContact CG-CZ 4.09Å
254	P	96.2	Very high	94.1	Very high	14 Å²	14	73.4 Å²	73.4	9%	0.091	37%	0.369	C	S	.	.			trans	-74.7	144.6	170	27.5	-27.2	0	0	0	110.3	W259 Y261 V268	P254-W259 HydrophobicContact CB-CB 4.01Å; P254-W259 HydrophobicContact CG-CB 4.13Å; P254-Y261 WeakPolarHBondContact CD-OH 3.18Å; P254-V268 HydrophobicContact CB-CG2 4.45Å; P254-V268 HydrophobicContact CG-CG2 3.81Å; P254-V268 WeakPolarHBondContact O-CG2 3.3Å
255	D	91.3	Very high	94.9	Very high	96 Å²	96	69.9 Å²	69.9	51%	0.513	36%	0.356	S	S	.	.	S	Bend	trans	-72.1	-33.5	174.8	-69.6	-49	0	0	0	112.1	Q251	Q251-D255 VanDerWaalsContact NE2-CG 3.31Å; Q251-D255 PolarHBondContact NE2-OD1 3.02Å; Q251-D255 PolarHBondContact NE2-OD2 3.43Å
256	Q	91.3	Very high	95.5	Very high	170 Å²	170	60.4 Å²	60.4	79%	0.794	32%	0.315	S	S	*	.	S	Bend	trans	-147.5	155.8	179	-64.3	-174.2	-11.4	0	0	110.9
257	G	93.9	Very high	95.8	Very high	52 Å²	52	55.3 Å²	55.3	54%	0.536	29%	0.293	S	S	.	.	S	Bend	trans	69.5	-133.6	175.9	0	0	0	0	0	112.6	A267 V268	G257-A267 CarbonylContact O-C 3.54Å; G257-A267 WeakPolarHBondContact O-CA 3.5Å; G257-V268 PolarHBondContact O-N 2.9Å
258	C	94.9	Very high	95.9	Very high	56 Å²	56	52.1 Å²	52.1	38%	0.378	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.6	179.6	67.4	0	0	0	0	112.6	R265 V266 A267	C258-R265 HydrophobicContact CB-CG 4.47Å; C258-R265 PolarHBondContact SG-NH2 2.81Å; C258-V266 CarbonylContact C-O 3.57Å; C258-V266 WeakPolarHBondContact CA-O 3.31Å; C258-A267 HydrophobicContact CB-CB 3.72Å
259	W	96.8	Very high	95.8	Very high	159 Å²	159	56.2 Å²	56.2	60%	0.602	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.4	172.5	-162.6	-95.4	0	0	0	110.7	P254 Y261 V266	P254-W259 HydrophobicContact CB-CB 4.01Å; P254-W259 HydrophobicContact CG-CB 4.13Å; W259-Y261 HydrophobicContact CB-CE2 3.96Å; W259-Y261 AromaticContact CD1-CD1 3.64Å; W259-Y261 AromaticContact CD1-CE1 3.35Å; W259-Y261 AromaticContact CD1-CE2 3.88Å; W259-Y261 AromaticContact CD1-CZ 3.48Å; W259-Y261 VanDerWaalsContact CD1-CZ 3.48Å; W259-Y261 HydrophobicContact CG-CE1 4.25Å; W259-Y261 HydrophobicContact CG-CE2 4.3Å; W259-Y261 AromaticContact CG-CZ 3.99Å; W259-Y261 AromaticContact NE1-CE1 3.96Å; W259-V266 PolarHBondContact N-O 2.78Å; W259-V266 PolarHBondContact O-N 2.89Å
260	T	96.7	Very high	95.6	Very high	59 Å²	59	59.5 Å²	59.5	36%	0.362	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.8	178.5	-54.2	0	0	0	0	109.3	G262 V264	T260-G262 WeakPolarHBondContact CG2-O 3.22Å; T260-V264 WeakPolarHBondContact CA-O 3.29Å
261	Y	96	Very high	95.4	Very high	28 Å²	28	59.8 Å²	59.8	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	104.3	178.2	-56.4	-81.1	0	0	0	108.7	V220 W224 Y252 W253 P254 W259 N263 V264 V266	V220-Y261 HydrophobicContact CB-CD1 4.33Å; V220-Y261 HydrophobicContact CG1-CD1 3.27Å; V220-Y261 HydrophobicContact CG1-CE1 3.61Å; V220-Y261 HydrophobicContact CG1-CG 3.86Å; W224-Y261 AromaticContact CD1-CD2 3.39Å; W224-Y261 AromaticContact CD1-CG 3.55Å; W224-Y261 HydrophobicContact CG-CD2 4.16Å; W224-Y261 HydrophobicContact CG-CG 4.45Å; W224-Y261 AromaticContact NE1-CD2 3.45Å; W224-Y261 AromaticContact NE1-CE2 3.61Å; W224-Y261 AromaticContact NE1-CG 3.98Å; Y252-Y261 PolarHBondContact O-OH 3.05Å; W253-Y261 WeakPolarHBondContact CA-OH 3.44Å; P254-Y261 WeakPolarHBondContact CD-OH 3.18Å; W259-Y261 HydrophobicContact CB-CE2 3.96Å; W259-Y261 AromaticContact CD1-CD1 3.64Å; W259-Y261 AromaticContact CD1-CE1 3.35Å; W259-Y261 AromaticContact CD1-CE2 3.88Å; W259-Y261 AromaticContact CD1-CZ 3.48Å; W259-Y261 VanDerWaalsContact CD1-CZ 3.48Å; W259-Y261 HydrophobicContact CG-CE1 4.25Å; W259-Y261 HydrophobicContact CG-CE2 4.3Å; W259-Y261 AromaticContact CG-CZ 3.99Å; W259-Y261 AromaticContact NE1-CE1 3.96Å; Y261-N263 PolarHBondContact O-N 2.95Å; Y261-V264 PolarHBondContact N-O 2.94Å; Y261-V264 PolarHBondContact O-N 3.22Å; Y261-V266 HydrophobicContact CD2-CB 4.22Å; Y261-V266 HydrophobicContact CD2-CG2 3.76Å; Y261-V266 HydrophobicContact CE2-CB 4.07Å; Y261-V266 HydrophobicContact CE2-CG2 4.06Å
262	G	93.4	Very high	95	Very high	51 Å²	51	59.5 Å²	59.5	53%	0.526	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	-118.2	-168.5	0	0	0	0	0	110.7	T260	T260-G262 WeakPolarHBondContact CG2-O 3.22Å
263	N	92.8	Very high	94.5	Very high	85 Å²	85	62.8 Å²	62.8	46%	0.455	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	11	176.7	-65.6	-32	0	0	0	113.2	Y261 H286 Q287	Y261-N263 PolarHBondContact O-N 2.95Å; N263-H286 CarbonylContact O-C 3.53Å; N263-H286 WeakPolarHBondContact O-CA 3.08Å; N263-Q287 PolarHBondContact O-N 3.49Å
264	V	95.8	Very high	94	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.6	-176.4	-176.8	0	0	0	0	109.8	W224 W228 T260 Y261 V266 V284	W224-V264 HydrophobicContact CB-CB 4.02Å; W224-V264 HydrophobicContact CB-CG1 4.07Å; W224-V264 HydrophobicContact CB-CG2 4.39Å; W228-V264 HydrophobicContact CB-CG2 4.22Å; T260-V264 WeakPolarHBondContact CA-O 3.29Å; Y261-V264 PolarHBondContact N-O 2.94Å; Y261-V264 PolarHBondContact O-N 3.22Å; V264-V266 HydrophobicContact CG1-CG2 4.16Å; V264-V284 HydrophobicContact CG1-CG1 3.28Å
265	R	96.4	Very high	93.4	Very high	78 Å²	78	63.9 Å²	63.9	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.7	170.5	-178.2	177.6	-179.7	-87	2.1	109.7	C258 V284 Q285 Q287	C258-R265 HydrophobicContact CB-CG 4.47Å; C258-R265 PolarHBondContact SG-NH2 2.81Å; R265-V284 CarbonylContact O-C 3.54Å; R265-V284 VanDerWaalsContact O-CA 3.3Å; R265-V284 WeakPolarHBondContact O-CA 3.47Å; R265-Q285 PolarHBondContact N-O 3.31Å; R265-Q285 PolarHBondContact O-N 2.84Å; R265-Q287 HydrophobicContact CB-CG 4.15Å
266	V	97.8	Very high	93.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.5	179.3	-178	0	0	0	0	107.9	W224 C258 W259 Y261 V264 F282 V284	W224-V266 HydrophobicContact CD2-CG2 3.55Å; W224-V266 HydrophobicContact CE3-CG2 3.76Å; W224-V266 HydrophobicContact CG-CG2 4.07Å; W224-V266 HydrophobicContact CH2-CG1 3.72Å; W224-V266 HydrophobicContact CH2-CG2 4.06Å; W224-V266 HydrophobicContact CZ2-CB 4.37Å; W224-V266 HydrophobicContact CZ2-CG1 3.69Å; W224-V266 HydrophobicContact CZ2-CG2 3.87Å; W224-V266 HydrophobicContact CZ3-CG1 4.33Å; W224-V266 HydrophobicContact CZ3-CG2 4.01Å; C258-V266 CarbonylContact C-O 3.57Å; C258-V266 WeakPolarHBondContact CA-O 3.31Å; W259-V266 PolarHBondContact N-O 2.78Å; W259-V266 PolarHBondContact O-N 2.89Å; Y261-V266 HydrophobicContact CD2-CB 4.22Å; Y261-V266 HydrophobicContact CD2-CG2 3.76Å; Y261-V266 HydrophobicContact CE2-CB 4.07Å; Y261-V266 HydrophobicContact CE2-CG2 4.06Å; V264-V266 HydrophobicContact CG1-CG2 4.16Å; V266-F282 HydrophobicContact CG1-CB 4.07Å; V266-F282 HydrophobicContact CG1-CD1 3.88Å; V266-F282 HydrophobicContact CG1-CG 4.03Å; V266-V284 HydrophobicContact CG1-CG2 4.45Å; V266-V284 HydrophobicContact CG2-CG1 4.46Å; V266-V284 HydrophobicContact CG2-CG2 4.42Å
267	A	97.1	Very high	93.3	Very high	13 Å²	13	53.7 Å²	53.7	11%	0.107	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.3	176.3	0	0	0	0	0	110.4	G257 C258 F282 C283	G257-A267 CarbonylContact O-C 3.54Å; G257-A267 WeakPolarHBondContact O-CA 3.5Å; C258-A267 HydrophobicContact CB-CB 3.72Å; A267-F282 CarbonylContact O-C 3.53Å; A267-F282 WeakPolarHBondContact O-CA 3.28Å; A267-C283 HydrophobicContact CB-CB 4.37Å; A267-C283 PolarHBondContact N-O 2.88Å; A267-C283 PolarHBondContact O-N 3.41Å
268	V	96.4	Very high	93.4	Very high	30 Å²	30	51.7 Å²	51.7	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128	173.6	178.8	0	0	0	0	108.7	P254 G257 F282	P254-V268 HydrophobicContact CB-CG2 4.45Å; P254-V268 HydrophobicContact CG-CG2 3.81Å; P254-V268 WeakPolarHBondContact O-CG2 3.3Å; G257-V268 PolarHBondContact O-N 2.9Å; V268-F282 HydrophobicContact CG2-CD1 3.98Å; V268-F282 HydrophobicContact CG2-CE1 3.76Å
269	E	95.4	Very high	93.4	Very high	123 Å²	123	49.9 Å²	49.9	58%	0.575	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	-46	173.5	-66	-169.6	152.8	0	0	111.5	K281 C283	E269-K281 HydrophobicContact CB-CB 4.33Å; E269-K281 PolarHBondContact N-O 2.84Å; E269-C283 HydrophobicContact CG-CB 4.06Å; E269-C283 WeakPolarHBondContact OE1-CB 3.21Å
270	D	93.5	Very high	93.5	Very high	72 Å²	72	43.9 Å²	43.9	39%	0.385	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	155	-172.1	-174.3	23.4	0	0	0	110.9	R280 K281	D270-R280 WeakPolarHBondContact O-CA 3.43Å; D270-K281 HydrophobicContact CB-CB 4.3Å; D270-K281 HydrophobicContact CB-CD 4.23Å; D270-K281 PolarHBondContact O-N 3.35Å; D270-K281 IonicContact OD2-NZ 3.92Å
271	F	92.4	Very high	93.5	Very high	102 Å²	102	45.5 Å²	45.5	45%	0.447	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.4	169	70.6	-84.5	0	0	0	112.8	V273 I279 R280	F271-V273 HydrophobicContact CD2-CG2 4.16Å; F271-V273 HydrophobicContact CE2-CG2 4.35Å; F271-I279 CarbonylContact C-O 3.43Å; F271-I279 WeakPolarHBondContact CA-O 3.41Å; F271-I279 WeakPolarHBondContact CB-O 2.99Å; F271-R280 HydrophobicContact CB-CB 4.5Å; F271-R280 HydrophobicContact CB-CG 4.04Å
272	T	90	Very high	93.6	Very high	52 Å²	52	44.2 Å²	44.2	32%	0.319	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123	179.4	-53.3	0	0	0	0	109.7	L274 T278 I279	T272-L274 HydrophobicContact CG2-CD2 4.15Å; T272-L274 HydrophobicContact CG2-CG 4.38Å; T272-T278 CarbonylContact O-C 3.54Å; T272-T278 VanDerWaalsContact O-CA 3.31Å; T272-T278 WeakPolarHBondContact O-CA 3.25Å; T272-I279 PolarHBondContact N-O 3.46Å; T272-I279 PolarHBondContact O-N 3.12Å
273	V	89	Confident	93.7	Very high	69 Å²	69	43.2 Å²	43.2	42%	0.418	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.2	175.7	-176.4	0	0	0	0	109.8	F271 T278 R496	F271-V273 HydrophobicContact CD2-CG2 4.16Å; F271-V273 HydrophobicContact CE2-CG2 4.35Å; V273-T278 HydrophobicContact CG2-CG2 4.08Å; V273-R496 PolarHBondContact O-NH1 3.16Å
274	L	86.3	Confident	93.9	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.052	20%	0.198	C	C	.	.			trans	-120.2	172.3	173.4	-53.8	175.3	0	0	0	109.7	T272 D276 Y277 Y495	T272-L274 HydrophobicContact CG2-CD2 4.15Å; T272-L274 HydrophobicContact CG2-CG 4.38Å; L274-D276 PolarHBondContact O-N 3.43Å; L274-Y277 WeakPolarHBondContact CA-O 3.38Å; L274-Y277 VanDerWaalsContact CB-O 3.29Å; L274-Y277 WeakPolarHBondContact CB-O 3.43Å; L274-Y277 HydrophobicContact CD1-CD2 4.09Å; L274-Y277 HydrophobicContact CD1-CE1 4.29Å; L274-Y277 HydrophobicContact CD1-CE2 3.46Å; L274-Y277 VanDerWaalsContact CD1-CE2 3.46Å; L274-Y277 PolarHBondContact N-O 3.41Å; L274-Y495 HydrophobicContact CD2-CE1 4.11Å; L274-Y495 HydrophobicContact CD2-CE2 4.13Å; L274-Y495 WeakPolarHBondContact CD2-OH 3.34Å
275	V	84.1	Confident	93.8	Very high	34 Å²	34	41 Å²	41	21%	0.206	21%	0.206	C	C	.	.	S	Bend	trans	-59.6	-42.3	-178.1	64.9	0	0	0	0	113.4	S305 Y495 K498	V275-S305 PolarHBondContact O-OG 2.72Å; V275-Y495 WeakPolarHBondContact CB-O 3.33Å; V275-Y495 PolarHBondContact N-O 3.21Å; V275-K498 HydrophobicContact CG2-CG 4.02Å
276	D	88.4	Confident	93.5	Very high	40 Å²	40	38.6 Å²	38.6	21%	0.214	20%	0.198	C	C	.	.	S	Bend	trans	-100	-21.2	-173.7	-73.5	-32.2	0	0	0	114.6	L274 F303 T304 S305 G317	L274-D276 PolarHBondContact O-N 3.43Å; D276-F303 HydrophobicContact CB-CE2 4.03Å; D276-F303 WeakPolarHBondContact O-CD2 3.13Å; D276-T304 PolarHBondContact O-N 3.04Å; D276-T304 PolarHBondContact O-OG1 3Å; D276-S305 WeakPolarHBondContact CA-OG 3.46Å; D276-S305 PolarHBondContact O-N 2.95Å; D276-S305 WeakPolarHBondContact OD1-CB 3.35Å; D276-S305 PolarHBondContact OD1-OG 3.37Å; D276-G317 WeakPolarHBondContact OD2-CA 3.37Å
277	Y	93.1	Very high	92.9	Very high	13 Å²	13	43.1 Å²	43.1	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	159.5	-177	57.6	-90	0	0	0	113.3	L274 I279 H302 F321 K324	L274-Y277 WeakPolarHBondContact CA-O 3.38Å; L274-Y277 VanDerWaalsContact CB-O 3.29Å; L274-Y277 WeakPolarHBondContact CB-O 3.43Å; L274-Y277 HydrophobicContact CD1-CD2 4.09Å; L274-Y277 HydrophobicContact CD1-CE1 4.29Å; L274-Y277 HydrophobicContact CD1-CE2 3.46Å; L274-Y277 VanDerWaalsContact CD1-CE2 3.46Å; L274-Y277 PolarHBondContact N-O 3.41Å; Y277-I279 HydrophobicContact CD2-CG1 3.99Å; Y277-I279 HydrophobicContact CE2-CD1 4.02Å; Y277-I279 HydrophobicContact CE2-CG1 4.01Å; Y277-H302 CarbonylContact C-O 3.47Å; Y277-H302 WeakPolarHBondContact CA-O 3.3Å; Y277-H302 WeakPolarHBondContact CB-O 3.44Å; Y277-F321 HydrophobicContact CD1-CB 4.16Å; Y277-F321 AromaticContact CD1-CD2 3.81Å; Y277-F321 HydrophobicContact CD1-CD2 3.81Å; Y277-F321 HydrophobicContact CD1-CG 4.47Å; Y277-F321 AromaticContact CD2-CD2 3.97Å; Y277-F321 HydrophobicContact CD2-CD2 3.97Å; Y277-F321 HydrophobicContact CD2-CE2 4.4Å; Y277-F321 HydrophobicContact CE1-CB 4.4Å; Y277-F321 HydrophobicContact CE1-CD2 4.48Å; Y277-F321 AromaticContact CG-CD2 3.53Å; Y277-F321 HydrophobicContact CG-CD2 3.53Å; Y277-F321 HydrophobicContact CG-CE2 4.11Å; Y277-K324 HydrophobicContact CE2-CG 4.34Å
278	T	94.3	Very high	91.7	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.2	172.3	-61.2	0	0	0	0	109.5	T272 V273 R280 H302	T272-T278 CarbonylContact O-C 3.54Å; T272-T278 VanDerWaalsContact O-CA 3.31Å; T272-T278 WeakPolarHBondContact O-CA 3.25Å; V273-T278 HydrophobicContact CG2-CG2 4.08Å; T278-R280 HydrophobicContact CG2-CG 4.17Å; T278-H302 PolarHBondContact N-O 3.24Å; T278-H302 PolarHBondContact O-N 2.87Å
279	I	96	Very high	90	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133	172.2	-53.5	176.9	0	0	0	108.1	F271 T272 Y277 T299 Q300 L301 K324	F271-I279 CarbonylContact C-O 3.43Å; F271-I279 WeakPolarHBondContact CA-O 3.41Å; F271-I279 WeakPolarHBondContact CB-O 2.99Å; T272-I279 PolarHBondContact N-O 3.46Å; T272-I279 PolarHBondContact O-N 3.12Å; Y277-I279 HydrophobicContact CD2-CG1 3.99Å; Y277-I279 HydrophobicContact CE2-CD1 4.02Å; Y277-I279 HydrophobicContact CE2-CG1 4.01Å; I279-T299 HydrophobicContact CG2-CG2 3.74Å; I279-Q300 CarbonylContact C-O 3.49Å; I279-Q300 WeakPolarHBondContact CA-O 3.3Å; I279-L301 HydrophobicContact CG1-CD2 4.48Å; I279-K324 HydrophobicContact CD1-CD 4.45Å; I279-K324 HydrophobicContact CD1-CG 4.07Å
280	R	97.8	Very high	87.9	Confident	34 Å²	34	51.7 Å²	51.7	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134	172.2	-55	-171.9	-174.5	-84.9	1.1	109.8	D270 F271 T278 F282 T299 Q300	D270-R280 WeakPolarHBondContact O-CA 3.43Å; F271-R280 HydrophobicContact CB-CB 4.5Å; F271-R280 HydrophobicContact CB-CG 4.04Å; T278-R280 HydrophobicContact CG2-CG 4.17Å; R280-F282 HydrophobicContact CB-CE1 4.2Å; R280-F282 HydrophobicContact CB-CE2 3.87Å; R280-F282 HydrophobicContact CB-CZ 3.59Å; R280-F282 HydrophobicContact CG-CZ 4.36Å; R280-T299 CarbonylContact O-C 3.59Å; R280-T299 WeakPolarHBondContact O-CA 3.34Å; R280-Q300 HydrophobicContact CB-CB 4.41Å; R280-Q300 VanDerWaalsContact CD-OE1 3.28Å; R280-Q300 PolarHBondContact N-O 3.03Å; R280-Q300 PolarHBondContact O-N 3.05Å
281	K	97.5	Very high	86.2	Confident	93 Å²	93	51.7 Å²	51.7	40%	0.404	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.6	174.2	-64.3	180	-174	161.3	0	109.4	E269 D270	E269-K281 HydrophobicContact CB-CB 4.33Å; E269-K281 PolarHBondContact N-O 2.84Å; D270-K281 HydrophobicContact CB-CB 4.3Å; D270-K281 HydrophobicContact CB-CD 4.23Å; D270-K281 PolarHBondContact O-N 3.35Å; D270-K281 IonicContact OD2-NZ 3.92Å
282	F	98.1	Very high	84.8	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.3	179.9	-54.2	-69.4	0	0	0	111.3	W224 W253 V266 A267 V268 R280 V284 P297 V298 Q300	W224-F282 HydrophobicContact CH2-CD2 4.09Å; W224-F282 HydrophobicContact CH2-CE2 4.43Å; W224-F282 HydrophobicContact CH2-CG 4.46Å; W253-F282 HydrophobicContact CB-CE1 3.82Å; W253-F282 HydrophobicContact CB-CZ 3.57Å; W253-F282 HydrophobicContact CG-CZ 4.09Å; V266-F282 HydrophobicContact CG1-CB 4.07Å; V266-F282 HydrophobicContact CG1-CD1 3.88Å; V266-F282 HydrophobicContact CG1-CG 4.03Å; A267-F282 CarbonylContact O-C 3.53Å; A267-F282 WeakPolarHBondContact O-CA 3.28Å; V268-F282 HydrophobicContact CG2-CD1 3.98Å; V268-F282 HydrophobicContact CG2-CE1 3.76Å; R280-F282 HydrophobicContact CB-CE1 4.2Å; R280-F282 HydrophobicContact CB-CE2 3.87Å; R280-F282 HydrophobicContact CB-CZ 3.59Å; R280-F282 HydrophobicContact CG-CZ 4.36Å; F282-V284 HydrophobicContact CB-CG2 4.12Å; F282-P297 CarbonylContact O-C 3.54Å; F282-P297 WeakPolarHBondContact O-CA 3.39Å; F282-V298 HydrophobicContact CB-CB 4.46Å; F282-V298 PolarHBondContact N-O 2.99Å; F282-V298 PolarHBondContact O-N 3.05Å; F282-Q300 HydrophobicContact CD2-CB 4.38Å; F282-Q300 HydrophobicContact CE2-CB 3.62Å
283	C	96.8	Very high	84.2	Confident	29 Å²	29	53.6 Å²	53.6	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.1	163.7	-166.6	0	0	0	0	108.8	A267 E269 P295	A267-C283 HydrophobicContact CB-CB 4.37Å; A267-C283 PolarHBondContact N-O 2.88Å; A267-C283 PolarHBondContact O-N 3.41Å; E269-C283 HydrophobicContact CG-CB 4.06Å; E269-C283 WeakPolarHBondContact OE1-CB 3.21Å; C283-P295 WeakPolarHBondContact SG-CB 3.44Å
284	V	96	Very high	84.1	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.2	-173.2	-175.2	0	0	0	0	110.6	W224 W228 V264 R265 V266 F282 P295 R296 V298	W224-V284 HydrophobicContact CE3-CG1 4.41Å; W224-V284 HydrophobicContact CE3-CG2 4.37Å; W224-V284 HydrophobicContact CH2-CG2 4.42Å; W224-V284 HydrophobicContact CZ3-CG2 3.75Å; W228-V284 HydrophobicContact CE3-CG1 4.04Å; W228-V284 WeakPolarHBondContact CZ3-O 3.28Å; V264-V284 HydrophobicContact CG1-CG1 3.28Å; R265-V284 CarbonylContact O-C 3.54Å; R265-V284 VanDerWaalsContact O-CA 3.3Å; R265-V284 WeakPolarHBondContact O-CA 3.47Å; V266-V284 HydrophobicContact CG1-CG2 4.45Å; V266-V284 HydrophobicContact CG2-CG1 4.46Å; V266-V284 HydrophobicContact CG2-CG2 4.42Å; F282-V284 HydrophobicContact CB-CG2 4.12Å; V284-P295 CarbonylContact O-C 3.51Å; V284-P295 WeakPolarHBondContact O-CA 3.48Å; V284-R296 PolarHBondContact N-O 3.47Å; V284-R296 PolarHBondContact O-N 3.35Å; V284-V298 HydrophobicContact CB-CG2 4.12Å; V284-V298 HydrophobicContact CG2-CB 3.91Å; V284-V298 HydrophobicContact CG2-CG2 3.57Å
285	Q	94.1	Very high	84.3	Confident	41 Å²	41	58.1 Å²	58.1	19%	0.192	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.2	-179	-173.1	175.4	33.1	0	0	112	R265 K293 P295	R265-Q285 PolarHBondContact N-O 3.31Å; R265-Q285 PolarHBondContact O-N 2.84Å; Q285-K293 WeakPolarHBondContact CG-O 3.28Å; Q285-K293 PolarHBondContact NE2-O 2.95Å; Q285-P295 HydrophobicContact CB-CB 4.43Å; Q285-P295 HydrophobicContact CB-CG 4.49Å; Q285-P295 HydrophobicContact CG-CG 4.39Å
286	H	90.6	Very high	84.8	Confident	27 Å²	27	60.2 Å²	60.2	13%	0.125	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.9	174.6	-171.3	-85.9	0	0	0	112.3	W228 N263 A288	W228-H286 AromaticContact CD1-CD2 3.65Å; W228-H286 AromaticContact CD1-CG 3.97Å; W228-H286 HydrophobicContact CD2-CB 3.76Å; W228-H286 HydrophobicContact CE3-CB 4.42Å; W228-H286 HydrophobicContact CG-CB 4.13Å; W228-H286 HydrophobicContact CH2-CB 4.16Å; W228-H286 HydrophobicContact CZ2-CB 3.47Å; W228-H286 VanDerWaalsContact CZ2-CB 3.47Å; W228-H286 VanDerWaalsContact NE1-CB 3.31Å; W228-H286 AromaticContact NE1-CD2 3.8Å; W228-H286 AromaticContact NE1-CG 3.64Å; N263-H286 CarbonylContact O-C 3.53Å; N263-H286 WeakPolarHBondContact O-CA 3.08Å; H286-A288 WeakPolarHBondContact CE1-CB 3.49Å; H286-A288 PolarHBondContact ND1-N 2.93Å
287	Q	83.6	Confident	85.2	Confident	95 Å²	95	62.8 Å²	62.8	44%	0.444	36%	0.363	S	S	.	.			trans	-107.9	48.8	-170.4	-60.8	-171.1	-32.6	0	0	113	N263 R265	N263-Q287 PolarHBondContact O-N 3.49Å; R265-Q287 HydrophobicContact CB-CG 4.15Å
288	A	72.8	Confident	85.4	Confident	47 Å²	47	62.3 Å²	62.3	39%	0.388	36%	0.361	S	S	.	.			trans	-104.1	152.9	170.5	0	0	0	0	0	111.4	H286	H286-A288 WeakPolarHBondContact CE1-CB 3.49Å; H286-A288 PolarHBondContact ND1-N 2.93Å
289	S	59.6	Low	85.6	Confident	117 Å²	117	62.9 Å²	62.9	82%	0.818	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	152.4	-154	49.7	0	0	0	0	119.6	A291	S289-A291 VanDerWaalsContact C-N 3.27Å; S289-A291 PolarHBondContact O-N 3.02Å
290	D	52.9	Low	85.7	Confident	182 Å²	182	62.1 Å²	62.1	97%	0.973	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-14.2	174.9	-77.6	-3.3	0	0	0	120.9
291	A	58	Low	85.7	Confident	72 Å²	72	60.5 Å²	60.5	60%	0.595	36%	0.355	S	S	*	.	S	Bend	trans	-143.9	107	166.7	0	0	0	0	0	110.9	S289 K293	S289-A291 VanDerWaalsContact C-N 3.27Å; S289-A291 PolarHBondContact O-N 3.02Å; A291-K293 PolarHBondContact O-N 3.41Å
292	A	62.4	Low	85.8	Confident	81 Å²	81	56.6 Å²	56.6	67%	0.669	34%	0.338	S	S	*	.			trans	-55.9	114.2	171.8	0	0	0	0	0	108.9
293	K	76.8	Confident	85.7	Confident	112 Å²	112	56.7 Å²	56.7	49%	0.487	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62.8	149.7	179	-70.2	-176.3	178.1	176.8	0	109.3	W228 Q285 A291	W228-K293 HydrophobicContact CH2-CB 3.98Å; W228-K293 HydrophobicContact CZ2-CB 3.62Å; W228-K293 HydrophobicContact CZ2-CD 3.69Å; W228-K293 HydrophobicContact CZ2-CG 4.26Å; Q285-K293 WeakPolarHBondContact CG-O 3.28Å; Q285-K293 PolarHBondContact NE2-O 2.95Å; A291-K293 PolarHBondContact O-N 3.41Å
294	T	86.3	Confident	85.6	Confident	116 Å²	116	57 Å²	57	71%	0.712	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-55.4	127.8	179.4	-46.2	0	0	0	0	110.4	W228	W228-T294 WeakPolarHBondContact CH2-O 3.31Å
295	P	91.9	Very high	85.4	Confident	58 Å²	58	57.7 Å²	57.7	38%	0.377	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-57.1	148.6	174.3	-21.4	31.1	0	0	0	111.6	C283 V284 Q285	C283-P295 WeakPolarHBondContact SG-CB 3.44Å; V284-P295 CarbonylContact O-C 3.51Å; V284-P295 WeakPolarHBondContact O-CA 3.48Å; Q285-P295 HydrophobicContact CB-CB 4.43Å; Q285-P295 HydrophobicContact CB-CG 4.49Å; Q285-P295 HydrophobicContact CG-CG 4.39Å
296	R	93.8	Very high	85.4	Confident	78 Å²	78	55.9 Å²	55.9	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.7	-179.2	-58.8	-179	-162.8	160.5	5.3	110.3	W228 V284	W228-R296 HydrophobicContact CH2-CG 4.18Å; W228-R296 HydrophobicContact CZ3-CB 4.28Å; W228-R296 HydrophobicContact CZ3-CG 3.81Å; W228-R296 PolarHBondContact O-NH1 3.33Å; V284-R296 PolarHBondContact N-O 3.47Å; V284-R296 PolarHBondContact O-N 3.35Å
297	P	96.3	Very high	85.2	Confident	94 Å²	94	56.8 Å²	56.8	61%	0.61	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.6	171	30.1	-33.1	0	0	0	109.9	F282	F282-P297 CarbonylContact O-C 3.54Å; F282-P297 WeakPolarHBondContact O-CA 3.39Å
298	V	97.9	Very high	84.6	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.8	171.5	177.9	0	0	0	0	108.4	W224 I227 A233 V235 F282 V284	W224-V298 HydrophobicContact CZ3-CG1 4.44Å; I227-V298 HydrophobicContact CG2-CG1 4.37Å; I227-V298 HydrophobicContact CG2-CG2 4.17Å; A233-V298 CarbonylContact O-C 3.56Å; A233-V298 WeakPolarHBondContact O-CA 3.46Å; V235-V298 HydrophobicContact CG2-CG1 3.98Å; F282-V298 HydrophobicContact CB-CB 4.46Å; F282-V298 PolarHBondContact N-O 2.99Å; F282-V298 PolarHBondContact O-N 3.05Å; V284-V298 HydrophobicContact CB-CG2 4.12Å; V284-V298 HydrophobicContact CG2-CB 3.91Å; V284-V298 HydrophobicContact CG2-CG2 3.57Å
299	T	98.4	Very high	84.7	Confident	22 Å²	22	59.1 Å²	59.1	14%	0.135	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122	176.8	-55.8	0	0	0	0	109.8	A233 T234 V235 I279 R280 L301 V328	A233-T299 PolarHBondContact O-N 3.32Å; T234-T299 CarbonylContact C-O 3.47Å; T234-T299 WeakPolarHBondContact CA-O 3.42Å; V235-T299 PolarHBondContact N-O 3.42Å; I279-T299 HydrophobicContact CG2-CG2 3.74Å; R280-T299 CarbonylContact O-C 3.59Å; R280-T299 WeakPolarHBondContact O-CA 3.34Å; T299-L301 HydrophobicContact CG2-CD1 4.03Å; T299-L301 HydrophobicContact CG2-CG 4.38Å; T299-V328 HydrophobicContact CG2-CG2 4.25Å
300	Q	98.6	Very high	86.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.8	168.4	-179.4	-156.2	58.9	0	0	109.5	V235 Y252 I279 R280 F282	V235-Q300 HydrophobicContact CB-CB 4.35Å; V235-Q300 HydrophobicContact CB-CG 4.41Å; V235-Q300 HydrophobicContact CG1-CG 4.45Å; V235-Q300 CarbonylContact O-C 3.43Å; V235-Q300 VanDerWaalsContact O-CA 3.27Å; V235-Q300 WeakPolarHBondContact O-CA 3.48Å; Y252-Q300 PolarHBondContact OH-NE2 3.24Å; I279-Q300 CarbonylContact C-O 3.49Å; I279-Q300 WeakPolarHBondContact CA-O 3.3Å; R280-Q300 HydrophobicContact CB-CB 4.41Å; R280-Q300 VanDerWaalsContact CD-OE1 3.28Å; R280-Q300 PolarHBondContact N-O 3.03Å; R280-Q300 PolarHBondContact O-N 3.05Å; F282-Q300 HydrophobicContact CD2-CB 4.38Å; F282-Q300 HydrophobicContact CE2-CB 3.62Å
301	L	98.5	Very high	88	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.6	169.4	-54.5	90.9	0	0	0	107.8	T234 V235 V236 M237 I279 T299 F321 K324 V325 V328	T234-L301 HydrophobicContact CG2-CD1 3.55Å; V235-L301 PolarHBondContact O-N 3.35Å; V236-L301 WeakPolarHBondContact CA-O 3.31Å; M237-L301 PolarHBondContact N-O 2.89Å; I279-L301 HydrophobicContact CG1-CD2 4.48Å; T299-L301 HydrophobicContact CG2-CD1 4.03Å; T299-L301 HydrophobicContact CG2-CG 4.38Å; L301-F321 HydrophobicContact CB-CD2 4.43Å; L301-F321 HydrophobicContact CB-CE2 3.45Å; L301-F321 VanDerWaalsContact CB-CE2 3.45Å; L301-F321 HydrophobicContact CB-CZ 3.71Å; L301-F321 WeakPolarHBondContact O-CZ 3.11Å; L301-K324 HydrophobicContact CD2-CB 4.19Å; L301-K324 HydrophobicContact CD2-CG 3.85Å; L301-V325 HydrophobicContact CB-CG2 4.31Å; L301-V325 HydrophobicContact CD1-CG2 4.16Å; L301-V325 HydrophobicContact CD2-CG2 3.85Å; L301-V325 HydrophobicContact CG-CG2 4.34Å; L301-V328 HydrophobicContact CD1-CG2 3.8Å; L301-V328 HydrophobicContact CD2-CG2 4.11Å; L301-V328 HydrophobicContact CG-CG2 4.46Å
302	H	98.3	Very high	89.6	Confident	12 Å²	12	45 Å²	45	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107.2	-175.6	174.8	-163.3	0	0	0	110	M237 T239 Y277 T278 T304	M237-H302 HydrophobicContact CB-CB 4.15Å; M237-H302 HydrophobicContact CG-CB 4.4Å; M237-H302 CarbonylContact O-C 3.53Å; M237-H302 VanDerWaalsContact O-CA 3.31Å; M237-H302 WeakPolarHBondContact O-CA 3.37Å; T239-H302 PolarHBondContact O-NE2 2.47Å; Y277-H302 CarbonylContact C-O 3.47Å; Y277-H302 WeakPolarHBondContact CA-O 3.3Å; Y277-H302 WeakPolarHBondContact CB-O 3.44Å; T278-H302 PolarHBondContact N-O 3.24Å; T278-H302 PolarHBondContact O-N 2.87Å; H302-T304 PolarHBondContact O-N 3.38Å
303	F	97.3	Very high	90.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	109.3	175.8	-166.6	-100.2	0	0	0	110.8	M237 L238 D276 W306 P312 M318 F321	M237-F303 PolarHBondContact O-N 3.08Å; L238-F303 HydrophobicContact CD2-CB 3.88Å; L238-F303 HydrophobicContact CD2-CG 4.49Å; D276-F303 HydrophobicContact CB-CE2 4.03Å; D276-F303 WeakPolarHBondContact O-CD2 3.13Å; F303-W306 HydrophobicContact CD1-CB 3.96Å; F303-W306 HydrophobicContact CD1-CE3 4.22Å; F303-W306 HydrophobicContact CE1-CB 4.03Å; F303-W306 HydrophobicContact CE1-CE3 4.27Å; F303-P312 HydrophobicContact CE1-CG 4.03Å; F303-P312 HydrophobicContact CZ-CG 4.4Å; F303-M318 HydrophobicContact CD1-CE 3.84Å; F303-M318 HydrophobicContact CD2-CE 4.36Å; F303-M318 HydrophobicContact CE1-CE 3.76Å; F303-M318 HydrophobicContact CE2-CE 4.29Å; F303-M318 HydrophobicContact CG-CE 4.15Å; F303-M318 HydrophobicContact CZ-CE 4Å; F303-F321 HydrophobicContact CB-CD1 4.27Å; F303-F321 HydrophobicContact CB-CD2 4.32Å; F303-F321 HydrophobicContact CB-CE1 3.98Å; F303-F321 HydrophobicContact CB-CE2 3.99Å; F303-F321 HydrophobicContact CB-CG 4.43Å; F303-F321 HydrophobicContact CB-CZ 3.82Å; F303-F321 HydrophobicContact CD2-CB 3.82Å; F303-F321 HydrophobicContact CD2-CD1 4.03Å; F303-F321 AromaticContact CD2-CD2 3.92Å; F303-F321 HydrophobicContact CD2-CD2 3.92Å; F303-F321 HydrophobicContact CD2-CE2 4.43Å; F303-F321 AromaticContact CD2-CG 3.67Å; F303-F321 HydrophobicContact CD2-CG 3.67Å; F303-F321 HydrophobicContact CE2-CB 4.12Å; F303-F321 HydrophobicContact CE2-CG 4.45Å; F303-F321 HydrophobicContact CG-CD1 4.45Å; F303-F321 HydrophobicContact CG-CG 4.45Å
304	T	94.3	Very high	90.9	Very high	36 Å²	36	41.8 Å²	41.8	22%	0.221	24%	0.236	C	C	.	.			trans	-98.4	-15.5	-170.9	48	0	0	0	0	113.5	N240 D276 H302	N240-T304 PolarHBondContact ND2-O 3.28Å; D276-T304 PolarHBondContact O-N 3.04Å; D276-T304 PolarHBondContact O-OG1 3Å; H302-T304 PolarHBondContact O-N 3.38Å
305	S	91.3	Very high	91.2	Very high	15 Å²	15	36.3 Å²	36.3	11%	0.105	20%	0.202	C	C	.	.			trans	-87.9	2.5	-176.4	-93.1	0	0	0	0	115.3	V275 D276 P307 K498	V275-S305 PolarHBondContact O-OG 2.72Å; D276-S305 WeakPolarHBondContact CA-OG 3.46Å; D276-S305 PolarHBondContact O-N 2.95Å; D276-S305 WeakPolarHBondContact OD1-CB 3.35Å; D276-S305 PolarHBondContact OD1-OG 3.37Å; S305-P307 WeakPolarHBondContact O-CD 3.47Å; S305-K498 PolarHBondContact OG-NZ 2.76Å
306	W	93.3	Very high	91.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.015	19%	0.19	C	C	.	.			trans	-71.9	122	173.4	-154.9	-55.1	0	0	0	110.1	F303 G310 V311 P312 M318 R346 T349 Q388	F303-W306 HydrophobicContact CD1-CB 3.96Å; F303-W306 HydrophobicContact CD1-CE3 4.22Å; F303-W306 HydrophobicContact CE1-CB 4.03Å; F303-W306 HydrophobicContact CE1-CE3 4.27Å; W306-G310 PolarHBondContact NE1-O 3.27Å; W306-V311 HydrophobicContact CZ2-CG1 4.11Å; W306-P312 HydrophobicContact CD2-CG 4.14Å; W306-P312 HydrophobicContact CE3-CG 4.41Å; W306-P312 HydrophobicContact CG-CG 4.26Å; W306-M318 HydrophobicContact CE3-CE 3.59Å; W306-M318 HydrophobicContact CZ3-CE 3.4Å; W306-R346 HydrophobicContact CD2-CB 4.32Å; W306-R346 VanDerWaalsContact CD2-CD 3.44Å; W306-R346 HydrophobicContact CD2-CG 3.73Å; W306-R346 HydrophobicContact CE3-CB 4.03Å; W306-R346 HydrophobicContact CE3-CG 3.97Å; W306-R346 HydrophobicContact CG-CG 4.32Å; W306-R346 VanDerWaalsContact CG-NE 3.29Å; W306-R346 HydrophobicContact CH2-CB 3.91Å; W306-R346 HydrophobicContact CH2-CG 3.94Å; W306-R346 HydrophobicContact CZ2-CB 4.22Å; W306-R346 HydrophobicContact CZ2-CG 3.72Å; W306-R346 HydrophobicContact CZ3-CB 3.8Å; W306-R346 HydrophobicContact CZ3-CG 4.05Å; W306-T349 HydrophobicContact CH2-CG2 3.72Å; W306-Q388 HydrophobicContact CZ2-CG 4.23Å
307	P	86.4	Confident	91	Very high	46 Å²	46	31.1 Å²	31.1	30%	0.299	18%	0.178	S	C	.	.			trans	-70.7	154.4	-178.3	28.8	-35.6	0	0	0	112.8	S305 F309 V311 R346	S305-P307 WeakPolarHBondContact O-CD 3.47Å; P307-F309 WeakPolarHBondContact CG-O 3.49Å; P307-F309 PolarHBondContact O-N 3.2Å; P307-V311 VanDerWaalsContact CG-O 3.31Å; P307-V311 WeakPolarHBondContact CG-O 3.32Å; P307-R346 PolarHBondContact O-NH2 3.01Å; P307-R346 VanDerWaalsContact O-NH2 3.1Å
308	D	72.3	Confident	90.9	Very high	61 Å²	61	26.7 Å²	26.7	33%	0.326	15%	0.149	S	C	.	.	S	Bend	trans	-57.1	-34.2	175.5	-57.7	-16	0	0	0	112.6	E243 R244	E243-D308 HydrophobicContact CB-CB 4.43Å; E243-D308 WeakPolarHBondContact CB-OD1 3.02Å; E243-D308 VanDerWaalsContact CG-OD1 3.31Å; E243-D308 WeakPolarHBondContact CG-OD1 2.77Å; R244-D308 HydrophobicContact CG-CB 4.19Å; R244-D308 WeakPolarHBondContact CG-OD2 3.49Å; R244-D308 IonicContact NE-OD2 3.89Å; R244-D308 PolarHBondContact NE-OD2 3.46Å
309	F	74.9	Confident	90.8	Very high	130 Å²	130	27.3 Å²	27.3	57%	0.57	15%	0.153	S	C	*	.	S	Bend	trans	-119.5	135.3	175	-67.7	-38.4	0	0	0	111.3	P307	P307-F309 WeakPolarHBondContact CG-O 3.49Å; P307-F309 PolarHBondContact O-N 3.2Å
310	G	88.6	Confident	90.4	Very high	37 Å²	37	28.4 Å²	28.4	38%	0.381	16%	0.155	S	C	.	.	S	Bend	trans	75.6	-136.7	177.7	0	0	0	0	0	112.9	W306	W306-G310 PolarHBondContact NE1-O 3.27Å
311	V	92.3	Very high	90.3	Very high	28 Å²	28	28.3 Å²	28.3	17%	0.17	16%	0.155	C	C	.	.			trans	-135.5	160.1	-170.9	-65.4	0	0	0	0	109.8	W306 P307 F313 I387 Q388 F391	W306-V311 HydrophobicContact CZ2-CG1 4.11Å; P307-V311 VanDerWaalsContact CG-O 3.31Å; P307-V311 WeakPolarHBondContact CG-O 3.32Å; V311-F313 PolarHBondContact O-N 3.12Å; V311-I387 HydrophobicContact CB-CG2 4.4Å; V311-I387 HydrophobicContact CG1-CG2 3.87Å; V311-I387 HydrophobicContact CG2-CG2 3.73Å; V311-Q388 HydrophobicContact CG1-CG 4.17Å; V311-F391 HydrophobicContact CB-CB 4Å; V311-F391 HydrophobicContact CB-CD2 3.77Å; V311-F391 HydrophobicContact CB-CE2 4.37Å; V311-F391 HydrophobicContact CB-CG 3.85Å; V311-F391 HydrophobicContact CG1-CB 3.81Å; V311-F391 HydrophobicContact CG1-CG 4.1Å; V311-F391 HydrophobicContact CG2-CB 4.06Å; V311-F391 HydrophobicContact CG2-CD2 3.74Å; V311-F391 HydrophobicContact CG2-CG 4.12Å
312	P	90.9	Very high	90.2	Very high	10 Å²	10	28.6 Å²	28.6	7%	0.065	16%	0.157	C	C	.	.			trans	-50.8	140.2	173	-26.3	34.9	0	0	0	111.5	F303 W306 S314 F391	F303-P312 HydrophobicContact CE1-CG 4.03Å; F303-P312 HydrophobicContact CZ-CG 4.4Å; W306-P312 HydrophobicContact CD2-CG 4.14Å; W306-P312 HydrophobicContact CE3-CG 4.41Å; W306-P312 HydrophobicContact CG-CG 4.26Å; P312-S314 PolarHBondContact O-N 3.39Å; P312-F391 HydrophobicContact CB-CE2 4.04Å; P312-F391 HydrophobicContact CB-CZ 3.93Å; P312-F391 HydrophobicContact CG-CE1 4.47Å; P312-F391 HydrophobicContact CG-CE2 4.31Å; P312-F391 HydrophobicContact CG-CZ 3.85Å; P312-F391 VanDerWaalsContact O-CE2 3.3Å; P312-F391 WeakPolarHBondContact O-CE2 3.43Å
313	F	81.3	Confident	89.9	Confident	107 Å²	107	31.4 Å²	31.4	47%	0.469	17%	0.168	S	C	.	.	S	Bend	trans	-61.2	-34.1	-179.5	179.7	-103.4	0	0	0	112.5	V311 M444 F470 M667	V311-F313 PolarHBondContact O-N 3.12Å; F313-M444 HydrophobicContact CE2-CE 4.24Å; F313-M444 HydrophobicContact CE2-SD 4.21Å; F313-M444 HydrophobicContact CZ-CE 4.3Å; F313-M444 HydrophobicContact CZ-SD 3.68Å; F313-F470 HydrophobicContact CE1-CZ 4.28Å; F313-F470 HydrophobicContact CZ-CE1 4.12Å; F313-F470 HydrophobicContact CZ-CZ 4.07Å; F313-M667 HydrophobicContact CE1-CB 4.21Å
314	S	86.4	Confident	89.8	Confident	17 Å²	17	34 Å²	34	12%	0.119	18%	0.18	C	C	.	.			trans	-124	140.9	174.1	-177.8	0	0	0	0	111	P312 I316 M667	P312-S314 PolarHBondContact O-N 3.39Å; S314-I316 PolarHBondContact O-N 3.07Å; S314-I316 WeakPolarHBondContact OG-CG2 3.38Å; S314-I316 PolarHBondContact OG-N 3.23Å; S314-M667 WeakPolarHBondContact OG-CE 3.42Å
315	P	92.6	Very high	89.9	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.17	C	C	.	.	S	Bend	trans	-73.3	-12.2	174.9	30.5	-36.7	0	0	0	113.9	G317 M318 L319 F391 Q394 A395 E398	P315-G317 VanDerWaalsContact C-N 3.33Å; P315-G317 PolarHBondContact O-N 3.09Å; P315-M318 WeakPolarHBondContact O-CA 3.46Å; P315-M318 WeakPolarHBondContact O-CB 3.44Å; P315-M318 PolarHBondContact O-N 2.85Å; P315-L319 PolarHBondContact O-N 2.97Å; P315-F391 HydrophobicContact CB-CE2 4.11Å; P315-F391 HydrophobicContact CB-CZ 4.09Å; P315-Q394 HydrophobicContact CG-CG 4.16Å; P315-A395 HydrophobicContact CB-CB 3.68Å; P315-E398 HydrophobicContact CB-CB 4.49Å; P315-E398 HydrophobicContact CG-CB 3.62Å; P315-E398 HydrophobicContact CG-CG 3.78Å
316	I	90.1	Very high	90	Very high	23 Å²	23	35.6 Å²	35.6	12%	0.118	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-40	-171.7	-169.4	56.2	0	0	0	113.2	S314 M318 L319 K320 Q660	S314-I316 PolarHBondContact O-N 3.07Å; S314-I316 WeakPolarHBondContact OG-CG2 3.38Å; S314-I316 PolarHBondContact OG-N 3.23Å; I316-M318 VanDerWaalsContact C-N 3.27Å; I316-M318 PolarHBondContact O-N 3.34Å; I316-L319 PolarHBondContact O-N 3.5Å; I316-K320 HydrophobicContact CD1-CG 4.24Å; I316-K320 HydrophobicContact CG1-CD 4.22Å; I316-K320 HydrophobicContact CG1-CG 4.33Å; I316-K320 WeakPolarHBondContact O-CB 3.47Å; I316-K320 WeakPolarHBondContact O-CG 3.41Å; I316-K320 PolarHBondContact O-N 3.11Å; I316-Q660 HydrophobicContact CD1-CB 4.38Å; I316-Q660 HydrophobicContact CD1-CG 3.73Å; I316-Q660 HydrophobicContact CG1-CB 4.21Å; I316-Q660 HydrophobicContact CG1-CG 4.11Å
317	G	90.4	Very high	90	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-40.9	176.4	0	0	0	0	0	111.4	D276 P315 F321	D276-G317 WeakPolarHBondContact OD2-CA 3.37Å; P315-G317 VanDerWaalsContact C-N 3.33Å; P315-G317 PolarHBondContact O-N 3.09Å; G317-F321 WeakPolarHBondContact O-CB 3.49Å; G317-F321 PolarHBondContact O-N 3.46Å
318	M	95.3	Very high	90.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-68	-41.9	176.5	-176.7	57.6	56.9	0	0	112	L238 F303 W306 P315 I316 F321 L322 F350 I353 F391	L238-M318 HydrophobicContact CD2-CE 4.19Å; F303-M318 HydrophobicContact CD1-CE 3.84Å; F303-M318 HydrophobicContact CD2-CE 4.36Å; F303-M318 HydrophobicContact CE1-CE 3.76Å; F303-M318 HydrophobicContact CE2-CE 4.29Å; F303-M318 HydrophobicContact CG-CE 4.15Å; F303-M318 HydrophobicContact CZ-CE 4Å; W306-M318 HydrophobicContact CE3-CE 3.59Å; W306-M318 HydrophobicContact CZ3-CE 3.4Å; P315-M318 WeakPolarHBondContact O-CA 3.46Å; P315-M318 WeakPolarHBondContact O-CB 3.44Å; P315-M318 PolarHBondContact O-N 2.85Å; I316-M318 VanDerWaalsContact C-N 3.27Å; I316-M318 PolarHBondContact O-N 3.34Å; M318-F321 PolarHBondContact O-N 3.24Å; M318-F321 HydrophobicContact SD-CD1 4.23Å; M318-L322 WeakPolarHBondContact O-CB 3.37Å; M318-L322 PolarHBondContact O-N 2.71Å; M318-F350 HydrophobicContact SD-CD2 3.85Å; M318-I353 HydrophobicContact CG-CD1 3.91Å; M318-F391 HydrophobicContact CB-CE1 4.31Å; M318-F391 HydrophobicContact CB-CZ 4.31Å; M318-F391 HydrophobicContact CG-CE1 4.35Å
319	L	94.9	Very high	91.4	Very high	17 Å²	17	38 Å²	38	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-44.3	178	-67.4	174.9	0	0	0	111.7	P315 I316 F321 L322 K323 I353 I357 A395 E398 Y399	P315-L319 PolarHBondContact O-N 2.97Å; I316-L319 PolarHBondContact O-N 3.5Å; L319-F321 VanDerWaalsContact C-N 3.34Å; L319-L322 PolarHBondContact O-N 3.13Å; L319-K323 PolarHBondContact O-N 3.47Å; L319-I353 HydrophobicContact CD2-CG2 4.11Å; L319-I357 HydrophobicContact CD2-CD1 3.76Å; L319-A395 HydrophobicContact CD2-CB 4.3Å; L319-E398 HydrophobicContact CD1-CB 4.01Å; L319-E398 HydrophobicContact CD1-CG 3.61Å; L319-Y399 HydrophobicContact CD2-CD2 4.28Å
320	K	91.3	Very high	92.2	Very high	44 Å²	44	34.5 Å²	34.5	19%	0.191	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-43	174.3	-72.9	-174.5	175.5	-165.9	0	111.6	I316 K323 K324 D657	I316-K320 HydrophobicContact CD1-CG 4.24Å; I316-K320 HydrophobicContact CG1-CD 4.22Å; I316-K320 HydrophobicContact CG1-CG 4.33Å; I316-K320 WeakPolarHBondContact O-CB 3.47Å; I316-K320 WeakPolarHBondContact O-CG 3.41Å; I316-K320 PolarHBondContact O-N 3.11Å; K320-K323 PolarHBondContact O-N 3Å; K320-K324 WeakPolarHBondContact O-CB 3.27Å; K320-K324 PolarHBondContact O-N 2.89Å; K320-D657 WeakPolarHBondContact CE-OD2 3.41Å; K320-D657 IonicContact NZ-OD2 3.64Å; K320-D657 PolarHBondContact NZ-OD2 3.19Å
321	F	95.2	Very high	92	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-46.7	175.5	-179.7	-106.3	0	0	0	111.5	V236 L238 Y277 L301 F303 G317 M318 L319 K324 V325 F350	V236-F321 HydrophobicContact CG1-CE1 3.54Å; V236-F321 HydrophobicContact CG1-CZ 3.83Å; L238-F321 HydrophobicContact CD2-CD1 4.46Å; L238-F321 HydrophobicContact CD2-CE1 3.77Å; L238-F321 HydrophobicContact CD2-CZ 4.46Å; Y277-F321 HydrophobicContact CD1-CB 4.16Å; Y277-F321 AromaticContact CD1-CD2 3.81Å; Y277-F321 HydrophobicContact CD1-CD2 3.81Å; Y277-F321 HydrophobicContact CD1-CG 4.47Å; Y277-F321 AromaticContact CD2-CD2 3.97Å; Y277-F321 HydrophobicContact CD2-CD2 3.97Å; Y277-F321 HydrophobicContact CD2-CE2 4.4Å; Y277-F321 HydrophobicContact CE1-CB 4.4Å; Y277-F321 HydrophobicContact CE1-CD2 4.48Å; Y277-F321 AromaticContact CG-CD2 3.53Å; Y277-F321 HydrophobicContact CG-CD2 3.53Å; Y277-F321 HydrophobicContact CG-CE2 4.11Å; L301-F321 HydrophobicContact CB-CD2 4.43Å; L301-F321 HydrophobicContact CB-CE2 3.45Å; L301-F321 VanDerWaalsContact CB-CE2 3.45Å; L301-F321 HydrophobicContact CB-CZ 3.71Å; L301-F321 WeakPolarHBondContact O-CZ 3.11Å; F303-F321 HydrophobicContact CB-CD1 4.27Å; F303-F321 HydrophobicContact CB-CD2 4.32Å; F303-F321 HydrophobicContact CB-CE1 3.98Å; F303-F321 HydrophobicContact CB-CE2 3.99Å; F303-F321 HydrophobicContact CB-CG 4.43Å; F303-F321 HydrophobicContact CB-CZ 3.82Å; F303-F321 HydrophobicContact CD2-CB 3.82Å; F303-F321 HydrophobicContact CD2-CD1 4.03Å; F303-F321 AromaticContact CD2-CD2 3.92Å; F303-F321 HydrophobicContact CD2-CD2 3.92Å; F303-F321 HydrophobicContact CD2-CE2 4.43Å; F303-F321 AromaticContact CD2-CG 3.67Å; F303-F321 HydrophobicContact CD2-CG 3.67Å; F303-F321 HydrophobicContact CE2-CB 4.12Å; F303-F321 HydrophobicContact CE2-CG 4.45Å; F303-F321 HydrophobicContact CG-CD1 4.45Å; F303-F321 HydrophobicContact CG-CG 4.45Å; G317-F321 WeakPolarHBondContact O-CB 3.49Å; G317-F321 PolarHBondContact O-N 3.46Å; M318-F321 PolarHBondContact O-N 3.24Å; M318-F321 HydrophobicContact SD-CD1 4.23Å; L319-F321 VanDerWaalsContact C-N 3.34Å; F321-K324 WeakPolarHBondContact O-CB 3.42Å; F321-K324 PolarHBondContact O-N 2.79Å; F321-V325 HydrophobicContact CD1-CG2 4.33Å; F321-V325 HydrophobicContact CE1-CG2 4.08Å; F321-V325 HydrophobicContact CZ-CG2 4.26Å; F321-V325 WeakPolarHBondContact O-CG2 3.31Å; F321-V325 PolarHBondContact O-N 3.39Å; F321-F350 HydrophobicContact CD1-CD2 4.25Å; F321-F350 AromaticContact CD1-CE2 3.86Å; F321-F350 HydrophobicContact CD1-CE2 3.86Å; F321-F350 HydrophobicContact CE1-CD2 4.23Å; F321-F350 AromaticContact CE1-CE2 3.89Å; F321-F350 HydrophobicContact CE1-CE2 3.89Å
322	L	96	Very high	91.5	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-46.8	175.6	175.2	62.9	0	0	0	112.1	M318 L319 K324 V325 K326 F350 I353 D354 I357	M318-L322 WeakPolarHBondContact O-CB 3.37Å; M318-L322 PolarHBondContact O-N 2.71Å; L319-L322 PolarHBondContact O-N 3.13Å; L322-K324 VanDerWaalsContact C-N 3.28Å; L322-K324 PolarHBondContact O-N 3Å; L322-V325 WeakPolarHBondContact O-CB 3.48Å; L322-V325 PolarHBondContact O-N 3.43Å; L322-K326 HydrophobicContact CD1-CD 4.29Å; L322-K326 HydrophobicContact CD1-CG 4.37Å; L322-K326 HydrophobicContact CG-CD 4.33Å; L322-K326 WeakPolarHBondContact O-CG 3.42Å; L322-K326 PolarHBondContact O-N 3.03Å; L322-F350 HydrophobicContact CB-CE2 4.2Å; L322-F350 HydrophobicContact CD1-CE1 4.23Å; L322-F350 HydrophobicContact CD1-CE2 3.76Å; L322-F350 HydrophobicContact CD1-CZ 3.53Å; L322-I353 HydrophobicContact CD2-CG2 3.84Å; L322-D354 HydrophobicContact CD1-CB 3.74Å; L322-D354 HydrophobicContact CD2-CB 4.21Å; L322-I357 HydrophobicContact CD2-CD1 3.83Å
323	K	93.5	Very high	91.4	Very high	70 Å²	70	47.8 Å²	47.8	30%	0.304	26%	0.255	S	S	.	.	H	α-helix	trans	-55.4	-45.3	174.3	-175.9	-175.5	179.2	-172.7	0	110.9	L319 K320 K326 A327 D404 E406	L319-K323 PolarHBondContact O-N 3.47Å; K320-K323 PolarHBondContact O-N 3Å; K323-K326 PolarHBondContact O-N 3.38Å; K323-A327 WeakPolarHBondContact O-CB 3.44Å; K323-A327 PolarHBondContact O-N 3.31Å; K323-D404 WeakPolarHBondContact CE-OD2 3.32Å; K323-D404 IonicContact NZ-OD1 2.66Å; K323-D404 PolarHBondContact NZ-OD1 3.41Å; K323-D404 IonicContact NZ-OD2 2.7Å; K323-D404 PolarHBondContact NZ-OD2 2.84Å; K323-E406 WeakPolarHBondContact CE-OE1 3.49Å; K323-E406 IonicContact NZ-OE1 2.78Å; K323-E406 PolarHBondContact NZ-OE1 3.28Å
324	K	93.6	Very high	92	Very high	58 Å²	58	43.6 Å²	43.6	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-43.5	177.7	-165.6	67.8	171.8	-166.2	0	112.1	Y277 I279 L301 K320 F321 L322 K326 A327 V328	Y277-K324 HydrophobicContact CE2-CG 4.34Å; I279-K324 HydrophobicContact CD1-CD 4.45Å; I279-K324 HydrophobicContact CD1-CG 4.07Å; L301-K324 HydrophobicContact CD2-CB 4.19Å; L301-K324 HydrophobicContact CD2-CG 3.85Å; K320-K324 WeakPolarHBondContact O-CB 3.27Å; K320-K324 PolarHBondContact O-N 2.89Å; F321-K324 WeakPolarHBondContact O-CB 3.42Å; F321-K324 PolarHBondContact O-N 2.79Å; L322-K324 VanDerWaalsContact C-N 3.28Å; L322-K324 PolarHBondContact O-N 3Å; K324-K326 VanDerWaalsContact C-N 3.34Å; K324-K326 PolarHBondContact O-N 3.15Å; K324-A327 PolarHBondContact O-N 3.36Å; K324-V328 HydrophobicContact CD-CG1 4.42Å; K324-V328 HydrophobicContact CG-CG1 4.46Å; K324-V328 WeakPolarHBondContact O-CG1 3.35Å; K324-V328 WeakPolarHBondContact O-CG2 3.45Å; K324-V328 PolarHBondContact O-N 3.4Å
325	V	96.4	Very high	92.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-56.4	-48.8	174.8	172.3	0	0	0	0	110.5	T234 V236 L301 F321 L322 A327 V328 N329 I336 F350	T234-V325 HydrophobicContact CG2-CG1 4.12Å; V236-V325 HydrophobicContact CG2-CB 4.48Å; V236-V325 HydrophobicContact CG2-CG1 3.75Å; V236-V325 HydrophobicContact CG2-CG2 3.78Å; L301-V325 HydrophobicContact CB-CG2 4.31Å; L301-V325 HydrophobicContact CD1-CG2 4.16Å; L301-V325 HydrophobicContact CD2-CG2 3.85Å; L301-V325 HydrophobicContact CG-CG2 4.34Å; F321-V325 HydrophobicContact CD1-CG2 4.33Å; F321-V325 HydrophobicContact CE1-CG2 4.08Å; F321-V325 HydrophobicContact CZ-CG2 4.26Å; F321-V325 WeakPolarHBondContact O-CG2 3.31Å; F321-V325 PolarHBondContact O-N 3.39Å; L322-V325 WeakPolarHBondContact O-CB 3.48Å; L322-V325 PolarHBondContact O-N 3.43Å; V325-A327 VanDerWaalsContact C-N 3.33Å; V325-A327 PolarHBondContact O-N 3.17Å; V325-V328 PolarHBondContact O-N 3.26Å; V325-N329 WeakPolarHBondContact O-CB 3.4Å; V325-N329 PolarHBondContact O-N 3.25Å; V325-N329 VanDerWaalsContact O-N 3.08Å; V325-I336 HydrophobicContact CG1-CD1 4.34Å; V325-I336 HydrophobicContact CG1-CG2 4.5Å; V325-F350 HydrophobicContact CB-CZ 4.14Å; V325-F350 HydrophobicContact CG1-CZ 3.99Å; V325-F350 HydrophobicContact CG2-CE2 4.21Å; V325-F350 HydrophobicContact CG2-CZ 3.98Å
326	K	94.3	Very high	92.8	Very high	82 Å²	82	44.4 Å²	44.4	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-39.2	179.1	-67	176.5	88.1	137	0	112	L322 K323 K324 D354 D358	L322-K326 HydrophobicContact CD1-CD 4.29Å; L322-K326 HydrophobicContact CD1-CG 4.37Å; L322-K326 HydrophobicContact CG-CD 4.33Å; L322-K326 WeakPolarHBondContact O-CG 3.42Å; L322-K326 PolarHBondContact O-N 3.03Å; K323-K326 PolarHBondContact O-N 3.38Å; K324-K326 VanDerWaalsContact C-N 3.34Å; K324-K326 PolarHBondContact O-N 3.15Å; K326-D354 WeakPolarHBondContact CD-OD1 3.47Å; K326-D354 IonicContact NZ-OD1 2.78Å; K326-D354 PolarHBondContact NZ-OD1 3.48Å; K326-D358 IonicContact NZ-OD1 2.65Å; K326-D358 PolarHBondContact NZ-OD1 2.89Å; K326-D358 IonicContact NZ-OD2 2.71Å
327	A	93	Very high	93.2	Very high	79 Å²	79	43.3 Å²	43.3	65%	0.653	24%	0.24	S	C	*	.	H	α-helix	trans	-70.1	-35.1	-179.3	0	0	0	0	0	113.8	K323 K324 V325	K323-A327 WeakPolarHBondContact O-CB 3.44Å; K323-A327 PolarHBondContact O-N 3.31Å; K324-A327 PolarHBondContact O-N 3.36Å; V325-A327 VanDerWaalsContact C-N 3.33Å; V325-A327 PolarHBondContact O-N 3.17Å
328	V	93.2	Very high	93.7	Very high	46 Å²	46	43.1 Å²	43.1	28%	0.279	24%	0.238	S	C	.	.	H	α-helix	trans	-89.4	-16.8	-179	-55.9	0	0	0	0	113.5	T234 T299 L301 K324 V325 P330	T234-V328 HydrophobicContact CG2-CG2 4.45Å; T299-V328 HydrophobicContact CG2-CG2 4.25Å; L301-V328 HydrophobicContact CD1-CG2 3.8Å; L301-V328 HydrophobicContact CD2-CG2 4.11Å; L301-V328 HydrophobicContact CG-CG2 4.46Å; K324-V328 HydrophobicContact CD-CG1 4.42Å; K324-V328 HydrophobicContact CG-CG1 4.46Å; K324-V328 WeakPolarHBondContact O-CG1 3.35Å; K324-V328 WeakPolarHBondContact O-CG2 3.45Å; K324-V328 PolarHBondContact O-N 3.4Å; V325-V328 PolarHBondContact O-N 3.26Å; V328-P330 VanDerWaalsContact O-CD 3.24Å; V328-P330 WeakPolarHBondContact O-CD 3.31Å
329	N	94.8	Very high	93.8	Very high	36 Å²	36	43 Å²	43	19%	0.193	24%	0.238	C	C	.	.	S	Bend	trans	-73.5	115.4	178.6	-170.4	65.6	0	0	0	110.7	T234 V325 S333 I336	T234-N329 VanDerWaalsContact CB-OD1 3.29Å; T234-N329 WeakPolarHBondContact CB-OD1 3.4Å; T234-N329 WeakPolarHBondContact OG1-CA 3.19Å; T234-N329 WeakPolarHBondContact OG1-CB 3.26Å; T234-N329 PolarHBondContact OG1-OD1 3.39Å; V325-N329 WeakPolarHBondContact O-CB 3.4Å; V325-N329 PolarHBondContact O-N 3.25Å; V325-N329 VanDerWaalsContact O-N 3.08Å; N329-S333 PolarHBondContact ND2-OG 3.29Å; N329-S333 PolarHBondContact OD1-OG 3.09Å; N329-I336 HydrophobicContact CB-CD1 4.34Å
330	P	92.9	Very high	93.9	Very high	57 Å²	57	42.6 Å²	42.6	37%	0.37	24%	0.236	S	C	.	.			trans	-63.8	144.6	-178	-20.7	33.5	0	0	0	112	A233 V328 S333	A233-P330 HydrophobicContact CB-CG 3.95Å; V328-P330 VanDerWaalsContact O-CD 3.24Å; V328-P330 WeakPolarHBondContact O-CD 3.31Å; P330-S333 WeakPolarHBondContact O-CB 3.46Å; P330-S333 PolarHBondContact O-N 3.21Å; P330-S333 PolarHBondContact O-OG 2.86Å
331	P	84.6	Confident	94.2	Very high	108 Å²	108	41.1 Å²	41.1	70%	0.701	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	142.7	170.1	27.5	-33.9	0	0	0	109.8	S333	P331-S333 PolarHBondContact O-N 3.28Å
332	F	80.4	Confident	94.2	Very high	213 Å²	213	41.6 Å²	41.6	93%	0.934	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	18	-178.8	-40.5	-76.4	0	0	0	115.5
333	S	88.4	Confident	94.3	Very high	33 Å²	33	41.3 Å²	41.3	23%	0.231	23%	0.234	C	C	.	.			trans	-65.6	166.5	166.5	69.4	0	0	0	0	111.4	N329 P330 P331	N329-S333 PolarHBondContact ND2-OG 3.29Å; N329-S333 PolarHBondContact OD1-OG 3.09Å; P330-S333 WeakPolarHBondContact O-CB 3.46Å; P330-S333 PolarHBondContact O-N 3.21Å; P330-S333 PolarHBondContact O-OG 2.86Å; P331-S333 PolarHBondContact O-N 3.28Å
334	G	94.7	Very high	94.5	Very high	19 Å²	19	38 Å²	38	20%	0.196	22%	0.219	C	C	.	.			trans	-64.4	-178	163.1	0	0	0	0	0	112.7	Q230 K231	Q230-G334 WeakPolarHBondContact O-CA 3.5Å; K231-G334 WeakPolarHBondContact O-CA 3.28Å; K231-G334 PolarHBondContact O-N 3.19Å
335	P	97.8	Very high	94.6	Very high	23 Å²	23	35.3 Å²	35.3	15%	0.149	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-55.7	149.6	179.8	-24.7	34.1	0	0	0	112.9	Y199 N207 K208 I210 V232 V337	Y199-P335 HydrophobicContact CD1-CG 4.41Å; Y199-P335 HydrophobicContact CE1-CG 4.17Å; N207-P335 WeakPolarHBondContact O-CB 3.44Å; N207-P335 WeakPolarHBondContact O-CG 3.43Å; K208-P335 WeakPolarHBondContact O-CA 3.43Å; I210-P335 HydrophobicContact CD1-CB 3.93Å; I210-P335 HydrophobicContact CD1-CG 4.15Å; I210-P335 HydrophobicContact CG1-CB 3.82Å; I210-P335 HydrophobicContact CG1-CG 4.3Å; V232-P335 WeakPolarHBondContact CG2-O 3.49Å; P335-V337 PolarHBondContact O-N 3.36Å
336	I	98.7	Very high	94.7	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.6	171.5	-59.9	170.4	0	0	0	108.2	K208 F209 I210 T234 V236 V325 N329 V338	K208-I336 PolarHBondContact O-N 3.47Å; F209-I336 CarbonylContact C-O 3.57Å; F209-I336 VanDerWaalsContact CA-O 3.32Å; F209-I336 WeakPolarHBondContact CA-O 2.95Å; F209-I336 HydrophobicContact CD1-CB 3.82Å; F209-I336 HydrophobicContact CD1-CG2 4.28Å; F209-I336 HydrophobicContact CE1-CB 4.08Å; F209-I336 HydrophobicContact CE1-CD1 4.02Å; F209-I336 HydrophobicContact CE1-CG2 4.4Å; I210-I336 PolarHBondContact N-O 2.9Å; T234-I336 HydrophobicContact CG2-CG2 4.34Å; V236-I336 HydrophobicContact CG2-CG2 3.72Å; V325-I336 HydrophobicContact CG1-CD1 4.34Å; V325-I336 HydrophobicContact CG1-CG2 4.5Å; N329-I336 HydrophobicContact CB-CD1 4.34Å; I336-V338 HydrophobicContact CG2-CG2 4.01Å; I336-V338 PolarHBondContact O-N 3.43Å
337	V	98.9	Very high	94.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.6	173.9	171.9	0	0	0	0	108.5	I210 A212 F223 M226 V232 T234 V235 V236 P335	I210-V337 HydrophobicContact CB-CG2 4.09Å; I210-V337 HydrophobicContact CD1-CG2 4.25Å; I210-V337 HydrophobicContact CG2-CG2 4.36Å; A212-V337 HydrophobicContact CB-CG1 4.39Å; F223-V337 HydrophobicContact CE2-CG1 4.1Å; F223-V337 HydrophobicContact CZ-CG1 3.87Å; M226-V337 HydrophobicContact CE-CG1 4.04Å; M226-V337 HydrophobicContact CE-CG2 3.9Å; V232-V337 HydrophobicContact CB-CG2 4.25Å; V232-V337 HydrophobicContact CG1-CB 4.19Å; V232-V337 HydrophobicContact CG1-CG2 3.75Å; V232-V337 HydrophobicContact CG2-CG2 3.56Å; T234-V337 PolarHBondContact O-N 2.89Å; V235-V337 CarbonylContact C-O 3.5Å; V235-V337 WeakPolarHBondContact CA-O 3.23Å; V235-V337 HydrophobicContact CG1-CG1 4.32Å; V235-V337 HydrophobicContact CG2-CB 4.45Å; V236-V337 PolarHBondContact N-O 2.9Å; P335-V337 PolarHBondContact O-N 3.36Å
338	V	98.9	Very high	95.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.6	177.1	-170.7	0	0	0	0	108.7	F209 I210 A211 A212 V236 L238 I336 T347 F350 I351	F209-V338 HydrophobicContact CD1-CG2 3.68Å; F209-V338 HydrophobicContact CE1-CG2 4.28Å; F209-V338 HydrophobicContact CG-CG2 4.48Å; I210-V338 PolarHBondContact O-N 3.25Å; A211-V338 WeakPolarHBondContact CA-O 3.37Å; A212-V338 PolarHBondContact N-O 3.02Å; V236-V338 HydrophobicContact CB-CB 4.34Å; V236-V338 HydrophobicContact CB-CG1 4.11Å; V236-V338 HydrophobicContact CB-CG2 4.11Å; V236-V338 HydrophobicContact CG1-CG1 4.05Å; V236-V338 HydrophobicContact CG2-CG2 4.39Å; V236-V338 WeakPolarHBondContact O-CA 3.49Å; L238-V338 HydrophobicContact CD1-CG1 3.7Å; I336-V338 HydrophobicContact CG2-CG2 4.01Å; I336-V338 PolarHBondContact O-N 3.43Å; V338-T347 HydrophobicContact CB-CG2 4.03Å; V338-T347 HydrophobicContact CG1-CG2 3.85Å; V338-T347 WeakPolarHBondContact O-CG2 3.4Å; V338-F350 HydrophobicContact CG1-CB 4.38Å; V338-F350 HydrophobicContact CG1-CD1 3.85Å; V338-F350 HydrophobicContact CG1-CG 4.3Å; V338-F350 HydrophobicContact CG2-CD1 4.01Å; V338-F350 HydrophobicContact CG2-CE1 4.07Å; V338-I351 HydrophobicContact CG2-CG1 4.39Å
339	H	98.8	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.3	-179.9	82.7	90.4	0	0	0	112.6	A212 V236 M237 L238 Y252 T347	A212-H339 HydrophobicContact CB-CB 4.28Å; A212-H339 WeakPolarHBondContact O-CA 3.35Å; A212-H339 WeakPolarHBondContact O-CB 3.37Å; V236-H339 PolarHBondContact O-N 3.37Å; M237-H339 WeakPolarHBondContact CB-NE2 3.49Å; M237-H339 VanDerWaalsContact CG-CE1 3.46Å; M237-H339 WeakPolarHBondContact CG-CE1 3.39Å; L238-H339 PolarHBondContact N-O 3.38Å; Y252-H339 AromaticContact CE1-CE1 3.62Å; Y252-H339 AromaticContact CE1-NE2 3.43Å; Y252-H339 WeakPolarHBondContact CE1-NE2 3.46Å; Y252-H339 AromaticContact CZ-NE2 3.44Å; Y252-H339 PolarHBondContact OH-NE2 2.95Å; H339-T347 WeakPolarHBondContact CA-OG1 3.41Å
340	C	96.7	Very high	95.6	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.054	14%	0.142	C	C	.	.			trans	-129.8	-125.5	166.7	61.8	0	0	0	0	108.1	G214 L238 T239 G343 R346 T347	G214-C340 WeakPolarHBondContact CA-O 3.4Å; G214-C340 PolarHBondContact N-O 2.99Å; L238-C340 HydrophobicContact CB-CB 4.2Å; T239-C340 WeakPolarHBondContact CG2-O 3.46Å; C340-G343 PolarHBondContact SG-N 3.06Å; C340-G343 VanDerWaalsContact SG-N 3.37Å; C340-R346 HydrophobicContact CB-CB 4.08Å; C340-T347 PolarHBondContact N-OG1 2.93Å; C340-T347 PolarHBondContact SG-OG1 2.84Å
341	S	96.9	Very high	95.9	Very high	13 Å²	13	22.1 Å²	22.1	9%	0.091	12%	0.124	C	C	.	.	S	Bend	trans	-85.2	-68	168.4	-177.5	0	0	0	0	111.3	R169 Y170 G214 K248	R169-S341 WeakPolarHBondContact CD-OG 3.42Å; Y170-S341 WeakPolarHBondContact CE2-OG 3.37Å; Y170-S341 PolarHBondContact OH-OG 3.25Å; G214-S341 PolarHBondContact N-O 3.4Å; K248-S341 WeakPolarHBondContact O-CA 3.5Å; K248-S341 WeakPolarHBondContact O-CB 3.4Å; K248-S341 PolarHBondContact O-OG 2.98Å; K248-S341 VanDerWaalsContact O-OG 3.07Å
342	A	96.7	Very high	96.5	Very high	9 Å²	9	17 Å²	17	7%	0.074	9%	0.091	C	C	.	.	S	Bend	trans	-83.1	-15.5	179.6	0	0	0	0	0	114	Y170 I173 V344 R379	Y170-A342 HydrophobicContact CD2-CB 3.57Å; Y170-A342 HydrophobicContact CE2-CB 3.68Å; I173-A342 HydrophobicContact CG1-CB 4.2Å; I173-A342 HydrophobicContact CG2-CB 4.23Å; A342-V344 HydrophobicContact CB-CG2 4.05Å; A342-R379 PolarHBondContact O-NH2 3.28Å; A342-R379 VanDerWaalsContact O-NH2 3.16Å
343	G	97.1	Very high	97.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	76.2	26.4	-177.6	0	0	0	0	0	114.8	A212 C340 R379	A212-G343 WeakPolarHBondContact O-CA 3.33Å; C340-G343 PolarHBondContact SG-N 3.06Å; C340-G343 VanDerWaalsContact SG-N 3.37Å; G343-R379 PolarHBondContact O-NE 3.22Å
344	V	97.2	Very high	97.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-132.7	-44.9	-177.6	-61.6	0	0	0	0	114.3	I173 A342 G348 R379 S380 Q381 L382 I383	I173-V344 HydrophobicContact CD1-CG2 4.26Å; I173-V344 HydrophobicContact CG2-CG1 3.65Å; I173-V344 HydrophobicContact CG2-CG2 4.24Å; A342-V344 HydrophobicContact CB-CG2 4.05Å; V344-G348 WeakPolarHBondContact O-CA 3.46Å; V344-G348 PolarHBondContact O-N 3.35Å; V344-R379 HydrophobicContact CG1-CG 4.25Å; V344-S380 VanDerWaalsContact CG1-O 3.3Å; V344-S380 WeakPolarHBondContact CG1-O 3.32Å; V344-Q381 HydrophobicContact CG2-CB 4.43Å; V344-L382 WeakPolarHBondContact O-CA 3.46Å; V344-I383 PolarHBondContact O-N 3.08Å
345	G	96.1	Very high	98	Very high	3 Å²	3	4.6 Å²	4.6	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-69.3	-87	-176.9	0	0	0	0	0	113.5	T347 G348 T349 Q388	G345-T347 PolarHBondContact O-N 2.9Å; G345-G348 PolarHBondContact O-N 2.85Å; G345-G348 VanDerWaalsContact O-N 3.08Å; G345-T349 PolarHBondContact O-N 2.76Å; G345-T349 PolarHBondContact O-OG1 2.89Å; G345-Q388 VanDerWaalsContact CA-OE1 3.31Å
346	R	98.1	Very high	98	Very high	23 Å²	23	3.5 Å²	3.5	9%	0.087	2%	0.02	C	C	.	.	H	α-helix	trans	-57.1	-37.6	178.3	-55	-178.7	-179.6	156.6	4	112.5	L238 T239 E243 W306 P307 C340 T349 F350	L238-R346 HydrophobicContact CB-CB 3.92Å; L238-R346 HydrophobicContact CD1-CB 4.31Å; L238-R346 WeakPolarHBondContact CD1-O 3.5Å; L238-R346 WeakPolarHBondContact O-CD 3.46Å; L238-R346 PolarHBondContact O-NH1 2.96Å; T239-R346 PolarHBondContact OG1-NH1 3.29Å; E243-R346 IonicContact OE1-CZ 3.61Å; E243-R346 VanDerWaalsContact OE1-CZ 3.24Å; E243-R346 IonicContact OE1-NH1 3.23Å; E243-R346 PolarHBondContact OE1-NH1 2.86Å; E243-R346 IonicContact OE1-NH2 3.81Å; E243-R346 PolarHBondContact OE1-NH2 3.35Å; E243-R346 IonicContact OE2-NH2 3.12Å; E243-R346 PolarHBondContact OE2-NH2 3.15Å; W306-R346 HydrophobicContact CD2-CB 4.32Å; W306-R346 VanDerWaalsContact CD2-CD 3.44Å; W306-R346 HydrophobicContact CD2-CG 3.73Å; W306-R346 HydrophobicContact CE3-CB 4.03Å; W306-R346 HydrophobicContact CE3-CG 3.97Å; W306-R346 HydrophobicContact CG-CG 4.32Å; W306-R346 VanDerWaalsContact CG-NE 3.29Å; W306-R346 HydrophobicContact CH2-CB 3.91Å; W306-R346 HydrophobicContact CH2-CG 3.94Å; W306-R346 HydrophobicContact CZ2-CB 4.22Å; W306-R346 HydrophobicContact CZ2-CG 3.72Å; W306-R346 HydrophobicContact CZ3-CB 3.8Å; W306-R346 HydrophobicContact CZ3-CG 4.05Å; P307-R346 PolarHBondContact O-NH2 3.01Å; P307-R346 VanDerWaalsContact O-NH2 3.1Å; C340-R346 HydrophobicContact CB-CB 4.08Å; R346-T349 WeakPolarHBondContact O-CB 3.19Å; R346-T349 PolarHBondContact O-N 3.05Å; R346-F350 PolarHBondContact O-N 3.23Å
347	T	98.6	Very high	98	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-55.4	-50.1	172.8	-63.1	0	0	0	0	112	A211 V338 H339 C340 G345 T349 F350 I351	A211-T347 HydrophobicContact CB-CG2 3.7Å; V338-T347 HydrophobicContact CB-CG2 4.03Å; V338-T347 HydrophobicContact CG1-CG2 3.85Å; V338-T347 WeakPolarHBondContact O-CG2 3.4Å; H339-T347 WeakPolarHBondContact CA-OG1 3.41Å; C340-T347 PolarHBondContact N-OG1 2.93Å; C340-T347 PolarHBondContact SG-OG1 2.84Å; G345-T347 PolarHBondContact O-N 2.9Å; T347-T349 PolarHBondContact O-N 2.79Å; T347-F350 PolarHBondContact O-N 3.31Å; T347-I351 HydrophobicContact CG2-CD1 3.95Å; T347-I351 WeakPolarHBondContact O-CG1 3.26Å; T347-I351 PolarHBondContact O-N 3.14Å; T347-I351 VanDerWaalsContact O-N 3.15Å
348	G	98.2	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-63.1	-41.9	176.7	0	0	0	0	0	111.9	V344 G345 F350 I351 V352	V344-G348 WeakPolarHBondContact O-CA 3.46Å; V344-G348 PolarHBondContact O-N 3.35Å; G345-G348 PolarHBondContact O-N 2.85Å; G345-G348 VanDerWaalsContact O-N 3.08Å; G348-F350 PolarHBondContact O-N 2.96Å; G348-I351 PolarHBondContact O-N 2.94Å; G348-V352 WeakPolarHBondContact O-CB 3.2Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 2.84Å
349	T	98.6	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-57.7	-46.2	176.9	-55.4	0	0	0	0	112.1	W306 G345 R346 T347 V352 I353 F391 V392	W306-T349 HydrophobicContact CH2-CG2 3.72Å; G345-T349 PolarHBondContact O-N 2.76Å; G345-T349 PolarHBondContact O-OG1 2.89Å; R346-T349 WeakPolarHBondContact O-CB 3.19Å; R346-T349 PolarHBondContact O-N 3.05Å; T347-T349 PolarHBondContact O-N 2.79Å; T349-V352 PolarHBondContact O-N 2.99Å; T349-I353 HydrophobicContact CG2-CD1 3.84Å; T349-I353 VanDerWaalsContact O-CG1 3.25Å; T349-I353 WeakPolarHBondContact O-CG1 3.15Å; T349-I353 PolarHBondContact O-N 3.45Å; T349-F391 HydrophobicContact CG2-CD1 3.87Å; T349-F391 HydrophobicContact CG2-CE1 4.48Å; T349-V392 HydrophobicContact CG2-CG2 3.86Å
350	F	98.8	Very high	97.7	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	4%	0.035	C	C	.	.	H	α-helix	trans	-61	-49.4	177.9	176.9	-88.9	0	0	0	112.3	F209 V236 L238 M318 F321 L322 V325 V338 R346 T347 G348 V352 I353 D354	F209-F350 HydrophobicContact CE1-CE1 4.23Å; V236-F350 HydrophobicContact CG1-CD1 4.45Å; V236-F350 HydrophobicContact CG1-CD2 4.27Å; V236-F350 HydrophobicContact CG1-CE1 4.28Å; V236-F350 HydrophobicContact CG1-CE2 4.09Å; V236-F350 HydrophobicContact CG1-CG 4.46Å; V236-F350 HydrophobicContact CG1-CZ 4.11Å; V236-F350 HydrophobicContact CG2-CE1 4.32Å; V236-F350 HydrophobicContact CG2-CZ 4.17Å; L238-F350 HydrophobicContact CD1-CB 3.55Å; L238-F350 HydrophobicContact CD1-CG 4.14Å; L238-F350 HydrophobicContact CD2-CD2 4.3Å; M318-F350 HydrophobicContact SD-CD2 3.85Å; F321-F350 HydrophobicContact CD1-CD2 4.25Å; F321-F350 AromaticContact CD1-CE2 3.86Å; F321-F350 HydrophobicContact CD1-CE2 3.86Å; F321-F350 HydrophobicContact CE1-CD2 4.23Å; F321-F350 AromaticContact CE1-CE2 3.89Å; F321-F350 HydrophobicContact CE1-CE2 3.89Å; L322-F350 HydrophobicContact CB-CE2 4.2Å; L322-F350 HydrophobicContact CD1-CE1 4.23Å; L322-F350 HydrophobicContact CD1-CE2 3.76Å; L322-F350 HydrophobicContact CD1-CZ 3.53Å; V325-F350 HydrophobicContact CB-CZ 4.14Å; V325-F350 HydrophobicContact CG1-CZ 3.99Å; V325-F350 HydrophobicContact CG2-CE2 4.21Å; V325-F350 HydrophobicContact CG2-CZ 3.98Å; V338-F350 HydrophobicContact CG1-CB 4.38Å; V338-F350 HydrophobicContact CG1-CD1 3.85Å; V338-F350 HydrophobicContact CG1-CG 4.3Å; V338-F350 HydrophobicContact CG2-CD1 4.01Å; V338-F350 HydrophobicContact CG2-CE1 4.07Å; R346-F350 PolarHBondContact O-N 3.23Å; T347-F350 PolarHBondContact O-N 3.31Å; G348-F350 PolarHBondContact O-N 2.96Å; F350-V352 VanDerWaalsContact C-N 3.29Å; F350-V352 PolarHBondContact O-N 3.03Å; F350-I353 PolarHBondContact O-N 3.44Å; F350-D354 PolarHBondContact O-N 3.34Å; F350-D354 VanDerWaalsContact O-N 3.09Å
351	I	98.8	Very high	97.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.8	-41.2	-178.9	-68.9	169.3	0	0	0	111	V200 F209 A211 V338 T347 G348 D354 G355 F371 I375	V200-I351 HydrophobicContact CB-CD1 4.36Å; V200-I351 HydrophobicContact CG1-CD1 4.26Å; V200-I351 HydrophobicContact CG1-CG2 4.01Å; F209-I351 HydrophobicContact CB-CD1 4.04Å; F209-I351 HydrophobicContact CB-CG1 4.31Å; F209-I351 HydrophobicContact CD1-CG1 4.3Å; F209-I351 HydrophobicContact CD2-CB 4.4Å; F209-I351 HydrophobicContact CD2-CD1 4.48Å; F209-I351 HydrophobicContact CD2-CG1 4Å; F209-I351 HydrophobicContact CD2-CG2 3.75Å; F209-I351 HydrophobicContact CE2-CG1 4.38Å; F209-I351 HydrophobicContact CE2-CG2 3.96Å; F209-I351 HydrophobicContact CG-CD1 4.23Å; F209-I351 HydrophobicContact CG-CG1 3.95Å; A211-I351 HydrophobicContact CB-CD1 4.26Å; V338-I351 HydrophobicContact CG2-CG1 4.39Å; T347-I351 HydrophobicContact CG2-CD1 3.95Å; T347-I351 WeakPolarHBondContact O-CG1 3.26Å; T347-I351 PolarHBondContact O-N 3.14Å; T347-I351 VanDerWaalsContact O-N 3.15Å; G348-I351 PolarHBondContact O-N 2.94Å; I351-D354 PolarHBondContact O-N 3.48Å; I351-G355 PolarHBondContact O-N 2.75Å; I351-F371 HydrophobicContact CG2-CE1 4.46Å; I351-I375 HydrophobicContact CG2-CD1 4.49Å
352	V	98.7	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-71.5	-39.9	-178.2	176.4	0	0	0	0	111.2	G348 T349 F350 D354 G355 M356 V368 F371 V372 I375 I383 V392	G348-V352 WeakPolarHBondContact O-CB 3.2Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 2.84Å; T349-V352 PolarHBondContact O-N 2.99Å; F350-V352 VanDerWaalsContact C-N 3.29Å; F350-V352 PolarHBondContact O-N 3.03Å; V352-D354 VanDerWaalsContact C-N 3.33Å; V352-D354 PolarHBondContact O-N 3.17Å; V352-G355 PolarHBondContact O-N 2.87Å; V352-M356 HydrophobicContact CG1-CG 3.94Å; V352-M356 VanDerWaalsContact O-CB 3.23Å; V352-M356 WeakPolarHBondContact O-CB 3.25Å; V352-M356 WeakPolarHBondContact O-CG 3.12Å; V352-M356 PolarHBondContact O-N 3.01Å; V352-V368 HydrophobicContact CG1-CG1 4Å; V352-F371 HydrophobicContact CB-CD1 4.34Å; V352-F371 HydrophobicContact CB-CE1 4.46Å; V352-F371 HydrophobicContact CG1-CD1 4.18Å; V352-F371 HydrophobicContact CG2-CD1 3.95Å; V352-F371 HydrophobicContact CG2-CE1 4.07Å; V352-V372 HydrophobicContact CB-CG2 4.48Å; V352-V372 HydrophobicContact CG1-CG2 3.93Å; V352-V372 HydrophobicContact CG2-CG2 3.74Å; V352-I375 HydrophobicContact CG2-CD1 3.4Å; V352-I375 VanDerWaalsContact CG2-CD1 3.4Å; V352-I383 HydrophobicContact CB-CD1 4.06Å; V352-I383 HydrophobicContact CG1-CD1 4.24Å; V352-I383 HydrophobicContact CG2-CD1 3.79Å; V352-I383 HydrophobicContact CG2-CG1 4.32Å; V352-V392 HydrophobicContact CB-CG2 4.42Å; V352-V392 HydrophobicContact CG1-CG1 3.74Å; V352-V392 HydrophobicContact CG1-CG2 4.22Å
353	I	98.6	Very high	97.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-44.9	174.4	-66.9	166.3	0	0	0	110.3	M318 L319 L322 T349 F350 M356 I357 F391 V392 A395	M318-I353 HydrophobicContact CG-CD1 3.91Å; L319-I353 HydrophobicContact CD2-CG2 4.11Å; L322-I353 HydrophobicContact CD2-CG2 3.84Å; T349-I353 HydrophobicContact CG2-CD1 3.84Å; T349-I353 VanDerWaalsContact O-CG1 3.25Å; T349-I353 WeakPolarHBondContact O-CG1 3.15Å; T349-I353 PolarHBondContact O-N 3.45Å; F350-I353 PolarHBondContact O-N 3.44Å; I353-M356 PolarHBondContact O-N 3.48Å; I353-I357 HydrophobicContact CG2-CD1 3.8Å; I353-I357 HydrophobicContact CG2-CG1 4.48Å; I353-I357 VanDerWaalsContact O-CG1 3.32Å; I353-I357 WeakPolarHBondContact O-CG1 3.11Å; I353-I357 PolarHBondContact O-N 3.48Å; I353-F391 HydrophobicContact CD1-CD1 4.45Å; I353-F391 HydrophobicContact CD1-CE1 4.33Å; I353-V392 HydrophobicContact CG1-CB 4.39Å; I353-V392 HydrophobicContact CG1-CG1 4.19Å; I353-V392 HydrophobicContact CG1-CG2 4.2Å; I353-A395 HydrophobicContact CD1-CB 3.78Å; I353-A395 HydrophobicContact CG1-CB 4.1Å; I353-A395 HydrophobicContact CG2-CB 4.32Å
354	D	98.3	Very high	97.7	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-52.7	176.7	176.5	73.5	0	0	0	112.5	K208 F209 L322 K326 F350 I351 V352 M356 I357 D358	K208-D354 WeakPolarHBondContact CE-OD2 3.41Å; K208-D354 IonicContact NZ-OD1 2.89Å; K208-D354 IonicContact NZ-OD2 3.44Å; K208-D354 PolarHBondContact NZ-OD2 3.17Å; F209-D354 HydrophobicContact CZ-CB 4.22Å; F209-D354 VanDerWaalsContact CZ-OD2 3.28Å; F209-D354 WeakPolarHBondContact CZ-OD2 3.47Å; L322-D354 HydrophobicContact CD1-CB 3.74Å; L322-D354 HydrophobicContact CD2-CB 4.21Å; K326-D354 WeakPolarHBondContact CD-OD1 3.47Å; K326-D354 IonicContact NZ-OD1 2.78Å; K326-D354 PolarHBondContact NZ-OD1 3.48Å; F350-D354 PolarHBondContact O-N 3.34Å; F350-D354 VanDerWaalsContact O-N 3.09Å; I351-D354 PolarHBondContact O-N 3.48Å; V352-D354 VanDerWaalsContact C-N 3.33Å; V352-D354 PolarHBondContact O-N 3.17Å; D354-M356 VanDerWaalsContact C-N 3.33Å; D354-M356 PolarHBondContact O-N 3.36Å; D354-I357 PolarHBondContact O-N 2.99Å; D354-D358 PolarHBondContact O-N 3.26Å; D354-D358 VanDerWaalsContact O-N 3.12Å
355	G	97.9	Very high	97.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-38.1	-178.8	0	0	0	0	0	113.1	Y203 I351 V352 D358 M359	Y203-G355 WeakPolarHBondContact CB-O 3.46Å; I351-G355 PolarHBondContact O-N 2.75Å; V352-G355 PolarHBondContact O-N 2.87Å; G355-D358 PolarHBondContact O-N 2.95Å; G355-M359 PolarHBondContact O-N 2.74Å
356	M	98.4	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-75	-29.2	-179.6	-66.8	-65.4	92.2	0	0	113.4	V352 I353 D354 M359 M360 D367 V368 F371 L396	V352-M356 HydrophobicContact CG1-CG 3.94Å; V352-M356 VanDerWaalsContact O-CB 3.23Å; V352-M356 WeakPolarHBondContact O-CB 3.25Å; V352-M356 WeakPolarHBondContact O-CG 3.12Å; V352-M356 PolarHBondContact O-N 3.01Å; I353-M356 PolarHBondContact O-N 3.48Å; D354-M356 VanDerWaalsContact C-N 3.33Å; D354-M356 PolarHBondContact O-N 3.36Å; M356-M359 HydrophobicContact CE-CB 4.11Å; M356-M359 HydrophobicContact CE-CE 4.39Å; M356-M359 HydrophobicContact CE-SD 3.69Å; M356-M359 HydrophobicContact SD-SD 4.13Å; M356-M360 VanDerWaalsContact O-CB 3.23Å; M356-M360 WeakPolarHBondContact O-CB 3.43Å; M356-M360 PolarHBondContact O-N 2.87Å; M356-D367 PolarHBondContact SD-N 2.91Å; M356-V368 HydrophobicContact CG-CG2 4.11Å; M356-V368 HydrophobicContact SD-CG2 4.19Å; M356-F371 HydrophobicContact CE-CB 3.42Å; M356-F371 VanDerWaalsContact CE-CB 3.42Å; M356-F371 HydrophobicContact CE-CD1 4.09Å; M356-F371 HydrophobicContact CE-CD2 3.61Å; M356-F371 HydrophobicContact CE-CE2 4.41Å; M356-F371 HydrophobicContact CE-CG 3.43Å; M356-F371 VanDerWaalsContact CE-CG 3.43Å; M356-F371 HydrophobicContact SD-CB 4.12Å; M356-L396 HydrophobicContact CB-CD1 3.64Å; M356-L396 HydrophobicContact CB-CD2 3.52Å; M356-L396 HydrophobicContact CB-CG 4.2Å; M356-L396 HydrophobicContact CG-CD1 4.13Å
357	I	97.2	Very high	97.8	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-41.7	168.9	-71.8	171.5	0	0	0	110.4	L319 L322 I353 D354 M359 M360 H361 L396 Y399	L319-I357 HydrophobicContact CD2-CD1 3.76Å; L322-I357 HydrophobicContact CD2-CD1 3.83Å; I353-I357 HydrophobicContact CG2-CD1 3.8Å; I353-I357 HydrophobicContact CG2-CG1 4.48Å; I353-I357 VanDerWaalsContact O-CG1 3.32Å; I353-I357 WeakPolarHBondContact O-CG1 3.11Å; I353-I357 PolarHBondContact O-N 3.48Å; D354-I357 PolarHBondContact O-N 2.99Å; I357-M359 VanDerWaalsContact C-N 3.34Å; I357-M359 PolarHBondContact O-N 3.48Å; I357-M360 WeakPolarHBondContact O-CB 3.4Å; I357-M360 PolarHBondContact O-N 2.91Å; I357-H361 PolarHBondContact O-N 3.3Å; I357-L396 HydrophobicContact CG1-CD2 3.86Å; I357-Y399 HydrophobicContact CD1-CD1 4.43Å; I357-Y399 HydrophobicContact CD1-CD2 4.02Å; I357-Y399 HydrophobicContact CD1-CE2 4.39Å; I357-Y399 HydrophobicContact CD1-CG 4.03Å; I357-Y399 HydrophobicContact CG1-CD1 4.1Å; I357-Y399 HydrophobicContact CG1-CE1 4.46Å; I357-Y399 HydrophobicContact CG1-CG 4.16Å; I357-Y399 HydrophobicContact CG2-CD1 4.23Å; I357-Y399 HydrophobicContact CG2-CE1 3.73Å; I357-Y399 HydrophobicContact CG2-CE2 4.35Å
358	D	96.6	Very high	97.8	Very high	34 Å²	34	25.5 Å²	25.5	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-41.3	176	-69.1	-15.7	0	0	0	111.1	Y203 K208 K326 D354 G355 H361 A362	Y203-D358 HydrophobicContact CD1-CB 3.66Å; Y203-D358 HydrophobicContact CG-CB 4.21Å; K208-D358 IonicContact NZ-OD2 2.65Å; K208-D358 PolarHBondContact NZ-OD2 2.98Å; K326-D358 IonicContact NZ-OD1 2.65Å; K326-D358 PolarHBondContact NZ-OD1 2.89Å; K326-D358 IonicContact NZ-OD2 2.71Å; D354-D358 PolarHBondContact O-N 3.26Å; D354-D358 VanDerWaalsContact O-N 3.12Å; G355-D358 PolarHBondContact O-N 2.95Å; D358-H361 PolarHBondContact O-N 2.87Å; D358-A362 WeakPolarHBondContact O-CB 3.36Å; D358-A362 PolarHBondContact O-N 3.44Å
359	M	97.9	Very high	97.8	Very high	22 Å²	22	27 Å²	27	11%	0.108	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-42.4	174.4	-175.1	-178.4	-108.3	0	0	112.4	Y203 G355 M356 I357 H361 A362 E363 I365 D367	Y203-M359 HydrophobicContact CD1-CB 4.48Å; Y203-M359 HydrophobicContact CD2-CB 3.82Å; Y203-M359 HydrophobicContact CD2-CE 4.18Å; Y203-M359 HydrophobicContact CD2-CG 4.28Å; Y203-M359 HydrophobicContact CE1-CB 4.4Å; Y203-M359 HydrophobicContact CE2-CB 3.74Å; Y203-M359 HydrophobicContact CE2-CE 3.73Å; Y203-M359 HydrophobicContact CE2-CG 3.78Å; Y203-M359 HydrophobicContact CG-CB 4.22Å; G355-M359 PolarHBondContact O-N 2.74Å; M356-M359 HydrophobicContact CE-CB 4.11Å; M356-M359 HydrophobicContact CE-CE 4.39Å; M356-M359 HydrophobicContact CE-SD 3.69Å; M356-M359 HydrophobicContact SD-SD 4.13Å; I357-M359 VanDerWaalsContact C-N 3.34Å; I357-M359 PolarHBondContact O-N 3.48Å; M359-H361 VanDerWaalsContact C-N 3.3Å; M359-H361 PolarHBondContact O-N 3.42Å; M359-A362 PolarHBondContact O-N 3.44Å; M359-E363 PolarHBondContact O-N 3.44Å; M359-I365 CarbonylContact C-O 3.59Å; M359-I365 HydrophobicContact CG-CG1 4.18Å; M359-I365 WeakPolarHBondContact CG-O 3.29Å; M359-I365 HydrophobicContact SD-CG1 4.31Å; M359-D367 HydrophobicContact CE-CB 4.21Å; M359-D367 HydrophobicContact SD-CB 3.95Å; M359-D367 PolarHBondContact SD-N 3.24Å; M359-D367 VanDerWaalsContact SD-N 3.42Å
360	M	96.8	Very high	97.7	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-45.5	176.1	179.8	179.4	-62.9	0	0	111	V122 L125 M356 I357 Q364 I365 V366 L396 Y399 Y400	V122-M360 HydrophobicContact CG1-CB 4.43Å; V122-M360 HydrophobicContact CG1-CE 4.47Å; V122-M360 HydrophobicContact CG1-CG 3.63Å; L125-M360 HydrophobicContact CD2-CE 3.96Å; M356-M360 VanDerWaalsContact O-CB 3.23Å; M356-M360 WeakPolarHBondContact O-CB 3.43Å; M356-M360 PolarHBondContact O-N 2.87Å; I357-M360 WeakPolarHBondContact O-CB 3.4Å; I357-M360 PolarHBondContact O-N 2.91Å; M360-Q364 WeakPolarHBondContact O-CA 3.25Å; M360-Q364 PolarHBondContact O-N 3.14Å; M360-Q364 VanDerWaalsContact O-N 3.11Å; M360-Q364 PolarHBondContact O-NE2 2.96Å; M360-I365 WeakPolarHBondContact CA-O 3.21Å; M360-I365 PolarHBondContact N-O 3.41Å; M360-V366 HydrophobicContact CB-CG1 4.04Å; M360-V366 HydrophobicContact CE-CG1 3.63Å; M360-L396 HydrophobicContact CE-CB 4.08Å; M360-L396 HydrophobicContact CE-CD2 4.25Å; M360-Y399 HydrophobicContact SD-CD1 3.81Å; M360-Y399 HydrophobicContact SD-CE1 4.35Å; M360-Y400 HydrophobicContact SD-CD2 4.5Å
361	H	95.1	Very high	97.6	Very high	104 Å²	104	28.8 Å²	28.8	48%	0.481	16%	0.156	S	C	.	.	H	α-helix	trans	-67.4	-43.4	176.9	-69.4	163.9	0	0	0	113.1	I357 D358 M359 Y399	I357-H361 PolarHBondContact O-N 3.3Å; D358-H361 PolarHBondContact O-N 2.87Å; M359-H361 VanDerWaalsContact C-N 3.3Å; M359-H361 PolarHBondContact O-N 3.42Å; H361-Y399 AromaticContact CE1-CE1 3.99Å; H361-Y399 AromaticContact CE1-CZ 3.85Å; H361-Y399 PolarHBondContact CE1-OH 3.34Å; H361-Y399 AromaticContact NE2-CE1 3.32Å; H361-Y399 VanDerWaalsContact NE2-CE1 3.32Å; H361-Y399 WeakPolarHBondContact NE2-CE1 3.25Å; H361-Y399 AromaticContact NE2-CZ 3.51Å; H361-Y399 PolarHBondContact NE2-OH 3.21Å
362	A	96.9	Very high	97.6	Very high	69 Å²	69	28.8 Å²	28.8	57%	0.57	16%	0.156	S	C	*	.	H	α-helix	trans	-75.6	-40.6	-172.9	0	0	0	0	0	113.4	Y203 D358 M359	Y203-A362 HydrophobicContact CE1-CB 3.69Å; D358-A362 WeakPolarHBondContact O-CB 3.36Å; D358-A362 PolarHBondContact O-N 3.44Å; M359-A362 PolarHBondContact O-N 3.44Å
363	E	97.4	Very high	97.4	Very high	98 Å²	98	29.7 Å²	29.7	46%	0.458	16%	0.162	S	C	.	.	H	α-helix	trans	-122.7	-5.3	-167.2	-64.8	-174	-121.5	0	0	113.9	Y203 M359 I365	Y203-E363 WeakPolarHBondContact CE2-OE1 3.44Å; Y203-E363 VanDerWaalsContact OH-CD 3.27Å; Y203-E363 WeakPolarHBondContact OH-CG 3.37Å; Y203-E363 PolarHBondContact OH-OE1 3Å; M359-E363 PolarHBondContact O-N 3.44Å; E363-I365 HydrophobicContact CB-CD1 4.13Å; E363-I365 HydrophobicContact CB-CG1 3.65Å; E363-I365 PolarHBondContact O-N 3.13Å
364	Q	97.3	Very high	97.3	Very high	114 Å²	114	34.4 Å²	34.4	53%	0.533	18%	0.182	S	C	.	.	S	Bend	trans	56.7	30.3	-174.2	-58.1	-65.8	-72.1	0	0	113.2	V122 M360	V122-Q364 VanDerWaalsContact CG1-C 3.43Å; V122-Q364 WeakPolarHBondContact CG1-O 3.2Å; V122-Q364 HydrophobicContact CG2-CB 4.1Å; V122-Q364 WeakPolarHBondContact CG2-O 3.19Å; V122-Q364 PolarHBondContact N-O 3.3Å; V122-Q364 VanDerWaalsContact N-O 3.11Å; M360-Q364 WeakPolarHBondContact O-CA 3.25Å; M360-Q364 PolarHBondContact O-N 3.14Å; M360-Q364 VanDerWaalsContact O-N 3.11Å; M360-Q364 PolarHBondContact O-NE2 2.96Å
365	I	97.8	Very high	97.2	Very high	39 Å²	39	34.2 Å²	34.2	20%	0.2	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.9	173.5	62.2	173.8	0	0	0	110	P119 I120 M359 M360 E363	P119-I365 HydrophobicContact CB-CB 4.44Å; P119-I365 HydrophobicContact CB-CD1 3.95Å; I120-I365 CarbonylContact O-C 3.56Å; I120-I365 VanDerWaalsContact O-CA 3.26Å; I120-I365 WeakPolarHBondContact O-CA 3.39Å; M359-I365 CarbonylContact C-O 3.59Å; M359-I365 HydrophobicContact CG-CG1 4.18Å; M359-I365 WeakPolarHBondContact CG-O 3.29Å; M359-I365 HydrophobicContact SD-CG1 4.31Å; M360-I365 WeakPolarHBondContact CA-O 3.21Å; M360-I365 PolarHBondContact N-O 3.41Å; E363-I365 HydrophobicContact CB-CD1 4.13Å; E363-I365 HydrophobicContact CB-CG1 3.65Å; E363-I365 PolarHBondContact O-N 3.13Å
366	V	97.9	Very high	97.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.8	165.8	-63.9	0	0	0	0	110.2	I120 L125 M360 L396	I120-V366 HydrophobicContact CB-CG2 4Å; I120-V366 PolarHBondContact N-O 3.11Å; I120-V366 PolarHBondContact O-N 2.95Å; L125-V366 HydrophobicContact CD1-CG2 3.86Å; M360-V366 HydrophobicContact CB-CG1 4.04Å; M360-V366 HydrophobicContact CE-CG1 3.63Å; V366-L396 HydrophobicContact CB-CD1 4.36Å; V366-L396 HydrophobicContact CG1-CD1 4.28Å
367	D	98	Very high	96.9	Very high	32 Å²	32	40 Å²	40	17%	0.171	21%	0.208	C	C	.	.			trans	-123.9	71.4	176.6	-175.8	13.6	0	0	0	111.1	P119 M356 M359 F369 G370 F371	P119-D367 HydrophobicContact CB-CB 3.97Å; P119-D367 HydrophobicContact CG-CB 3.97Å; M356-D367 PolarHBondContact SD-N 2.91Å; M359-D367 HydrophobicContact CE-CB 4.21Å; M359-D367 HydrophobicContact SD-CB 3.95Å; M359-D367 PolarHBondContact SD-N 3.24Å; M359-D367 VanDerWaalsContact SD-N 3.42Å; D367-F369 VanDerWaalsContact C-N 3.32Å; D367-F369 PolarHBondContact O-N 2.89Å; D367-G370 WeakPolarHBondContact OD1-CA 3.36Å; D367-G370 PolarHBondContact OD1-N 2.66Å; D367-G370 WeakPolarHBondContact OD2-CA 3.32Å; D367-F371 WeakPolarHBondContact O-CB 3.13Å; D367-F371 PolarHBondContact O-N 3.46Å
368	V	98.3	Very high	96.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-42.7	-178.7	-176.7	0	0	0	0	110.5	V352 M356 V372 Y389 V392 Y393 L396	V352-V368 HydrophobicContact CG1-CG1 4Å; M356-V368 HydrophobicContact CG-CG2 4.11Å; M356-V368 HydrophobicContact SD-CG2 4.19Å; V368-V372 HydrophobicContact CG1-CG2 4.08Å; V368-V372 VanDerWaalsContact O-CB 3.29Å; V368-V372 WeakPolarHBondContact O-CB 3.23Å; V368-V372 WeakPolarHBondContact O-CG2 3.49Å; V368-V372 PolarHBondContact O-N 3.04Å; V368-Y389 HydrophobicContact CG1-CD2 4.36Å; V368-Y389 HydrophobicContact CG1-CE2 3.71Å; V368-V392 HydrophobicContact CG1-CB 4.48Å; V368-V392 HydrophobicContact CG1-CG1 3.9Å; V368-V392 HydrophobicContact CG2-CG1 4.07Å; V368-Y393 HydrophobicContact CB-CE1 4.42Å; V368-Y393 HydrophobicContact CB-CE2 3.68Å; V368-Y393 WeakPolarHBondContact CB-OH 3.44Å; V368-Y393 HydrophobicContact CG1-CD2 4.4Å; V368-Y393 HydrophobicContact CG1-CE2 3.7Å; V368-Y393 HydrophobicContact CG2-CD1 4.43Å; V368-Y393 HydrophobicContact CG2-CD2 4.29Å; V368-Y393 HydrophobicContact CG2-CE1 3.96Å; V368-Y393 HydrophobicContact CG2-CE2 3.78Å; V368-L396 HydrophobicContact CG2-CD1 3.63Å
369	F	97.8	Very high	96.9	Very high	32 Å²	32	39.2 Å²	39.2	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-50.7	-178.4	-176.4	-88.7	0	0	0	111.7	Y117 E143 L147 D367 S373 Y389	Y117-F369 HydrophobicContact CD2-CD1 4.07Å; Y117-F369 AromaticContact CD2-CD2 3.7Å; Y117-F369 HydrophobicContact CD2-CD2 3.7Å; Y117-F369 AromaticContact CD2-CE1 3.86Å; Y117-F369 HydrophobicContact CD2-CE1 3.86Å; Y117-F369 AromaticContact CD2-CE2 3.46Å; Y117-F369 HydrophobicContact CD2-CE2 3.46Å; Y117-F369 VanDerWaalsContact CD2-CE2 3.46Å; Y117-F369 AromaticContact CD2-CG 4Å; Y117-F369 HydrophobicContact CD2-CG 4Å; Y117-F369 AromaticContact CD2-CZ 3.55Å; Y117-F369 HydrophobicContact CD2-CZ 3.55Å; Y117-F369 HydrophobicContact CE2-CD2 4.33Å; Y117-F369 AromaticContact CE2-CE2 3.81Å; Y117-F369 HydrophobicContact CE2-CE2 3.81Å; Y117-F369 HydrophobicContact CE2-CZ 4.06Å; Y117-F369 HydrophobicContact CG-CD1 4.28Å; Y117-F369 AromaticContact CG-CD2 3.9Å; Y117-F369 HydrophobicContact CG-CD2 3.9Å; Y117-F369 HydrophobicContact CG-CE2 4.15Å; Y117-F369 AromaticContact CG-CG 3.97Å; Y117-F369 HydrophobicContact CG-CG 3.97Å; Y117-F369 HydrophobicContact CG-CZ 4.46Å; E143-F369 HydrophobicContact CG-CD2 3.73Å; E143-F369 HydrophobicContact CG-CE2 4.35Å; L147-F369 HydrophobicContact CD2-CD2 3.59Å; L147-F369 HydrophobicContact CD2-CE2 3.61Å; L147-F369 HydrophobicContact CD2-CG 4.17Å; L147-F369 HydrophobicContact CD2-CZ 4.19Å; L147-F369 HydrophobicContact CG-CD2 4.16Å; L147-F369 HydrophobicContact CG-CE2 3.93Å; D367-F369 VanDerWaalsContact C-N 3.32Å; D367-F369 PolarHBondContact O-N 2.89Å; F369-S373 VanDerWaalsContact O-CB 3.3Å; F369-S373 WeakPolarHBondContact O-CB 3.45Å; F369-S373 PolarHBondContact O-N 3.15Å; F369-S373 PolarHBondContact O-OG 2.9Å; F369-Y389 WeakPolarHBondContact CA-OH 3.22Å; F369-Y389 WeakPolarHBondContact CB-OH 3.44Å; F369-Y389 PolarHBondContact N-OH 3.36Å
370	G	96.9	Very high	96.5	Very high	24 Å²	24	38.4 Å²	38.4	25%	0.247	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-42.7	179.6	0	0	0	0	0	112.1	D367 S373 K374	D367-G370 WeakPolarHBondContact OD1-CA 3.36Å; D367-G370 PolarHBondContact OD1-N 2.66Å; D367-G370 WeakPolarHBondContact OD2-CA 3.32Å; G370-S373 PolarHBondContact O-N 3.45Å; G370-K374 WeakPolarHBondContact O-CB 3.3Å; G370-K374 PolarHBondContact O-N 3.03Å
371	F	97.9	Very high	96.4	Very high	14 Å²	14	41.3 Å²	41.3	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-45.6	178.2	-170.3	-95.7	0	0	0	112.3	I351 V352 M356 D367 S373 K374 I375	I351-F371 HydrophobicContact CG2-CE1 4.46Å; V352-F371 HydrophobicContact CB-CD1 4.34Å; V352-F371 HydrophobicContact CB-CE1 4.46Å; V352-F371 HydrophobicContact CG1-CD1 4.18Å; V352-F371 HydrophobicContact CG2-CD1 3.95Å; V352-F371 HydrophobicContact CG2-CE1 4.07Å; M356-F371 HydrophobicContact CE-CB 3.42Å; M356-F371 VanDerWaalsContact CE-CB 3.42Å; M356-F371 HydrophobicContact CE-CD1 4.09Å; M356-F371 HydrophobicContact CE-CD2 3.61Å; M356-F371 HydrophobicContact CE-CE2 4.41Å; M356-F371 HydrophobicContact CE-CG 3.43Å; M356-F371 VanDerWaalsContact CE-CG 3.43Å; M356-F371 HydrophobicContact SD-CB 4.12Å; D367-F371 WeakPolarHBondContact O-CB 3.13Å; D367-F371 PolarHBondContact O-N 3.46Å; F371-S373 VanDerWaalsContact C-N 3.34Å; F371-S373 PolarHBondContact O-N 2.91Å; F371-K374 PolarHBondContact O-N 3.49Å; F371-I375 HydrophobicContact CD1-CD1 4.25Å; F371-I375 HydrophobicContact CD1-CG2 4.37Å; F371-I375 HydrophobicContact CE1-CD1 4.08Å; F371-I375 HydrophobicContact CE1-CG2 3.95Å; F371-I375 HydrophobicContact CZ-CG2 4.06Å; F371-I375 WeakPolarHBondContact O-CG1 3.35Å; F371-I375 PolarHBondContact O-N 3.18Å
372	V	97.7	Very high	96.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-41.9	175.8	174.9	0	0	0	0	111.1	L147 V352 V368 K374 I375 R376 I383 Y389	L147-V372 HydrophobicContact CD1-CG1 3.75Å; L147-V372 HydrophobicContact CD2-CB 4.11Å; L147-V372 HydrophobicContact CD2-CG1 3.9Å; L147-V372 HydrophobicContact CG-CG1 4.47Å; V352-V372 HydrophobicContact CB-CG2 4.48Å; V352-V372 HydrophobicContact CG1-CG2 3.93Å; V352-V372 HydrophobicContact CG2-CG2 3.74Å; V368-V372 HydrophobicContact CG1-CG2 4.08Å; V368-V372 VanDerWaalsContact O-CB 3.29Å; V368-V372 WeakPolarHBondContact O-CB 3.23Å; V368-V372 WeakPolarHBondContact O-CG2 3.49Å; V368-V372 PolarHBondContact O-N 3.04Å; V372-K374 VanDerWaalsContact C-N 3.32Å; V372-K374 PolarHBondContact O-N 2.98Å; V372-I375 WeakPolarHBondContact O-CG1 3.18Å; V372-I375 PolarHBondContact O-N 3.28Å; V372-R376 HydrophobicContact CG1-CG 4.33Å; V372-R376 WeakPolarHBondContact O-CB 3.18Å; V372-R376 VanDerWaalsContact O-CG 3.32Å; V372-R376 WeakPolarHBondContact O-CG 3.23Å; V372-R376 PolarHBondContact O-N 3.22Å; V372-I383 HydrophobicContact CG2-CD1 3.68Å; V372-Y389 HydrophobicContact CG2-CE2 4.21Å
373	S	95.4	Very high	96.4	Very high	19 Å²	19	33 Å²	33	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-45.1	176.9	-62.8	0	0	0	0	111.4	L147 P148 F369 G370 F371 R376	L147-S373 WeakPolarHBondContact CD2-OG 3.49Å; P148-S373 WeakPolarHBondContact CD-OG 3.4Å; F369-S373 VanDerWaalsContact O-CB 3.3Å; F369-S373 WeakPolarHBondContact O-CB 3.45Å; F369-S373 PolarHBondContact O-N 3.15Å; F369-S373 PolarHBondContact O-OG 2.9Å; G370-S373 PolarHBondContact O-N 3.45Å; F371-S373 VanDerWaalsContact C-N 3.34Å; F371-S373 PolarHBondContact O-N 2.91Å; S373-R376 PolarHBondContact O-N 3.1Å
374	K	95.4	Very high	96.3	Very high	100 Å²	100	32.2 Å²	32.2	44%	0.435	16%	0.159	S	C	.	.	H	α-helix	trans	-63.6	-51.8	178.1	-176	-174.8	175	-166.6	0	112.4	G370 F371 V372 R376 E377	G370-K374 WeakPolarHBondContact O-CB 3.3Å; G370-K374 PolarHBondContact O-N 3.03Å; F371-K374 PolarHBondContact O-N 3.49Å; V372-K374 VanDerWaalsContact C-N 3.32Å; V372-K374 PolarHBondContact O-N 2.98Å; K374-R376 PolarHBondContact O-N 3.49Å; K374-E377 VanDerWaalsContact O-CB 3.3Å; K374-E377 WeakPolarHBondContact O-CB 3.37Å; K374-E377 PolarHBondContact O-N 3.38Å
375	I	96.6	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.7	-24.5	-177.4	66.3	-179.5	0	0	0	112.4	V200 I351 V352 F371 V372 E377 Q378 R379 L382	V200-I375 HydrophobicContact CG1-CB 3.87Å; V200-I375 HydrophobicContact CG1-CG2 3.85Å; I351-I375 HydrophobicContact CG2-CD1 4.49Å; V352-I375 HydrophobicContact CG2-CD1 3.4Å; V352-I375 VanDerWaalsContact CG2-CD1 3.4Å; F371-I375 HydrophobicContact CD1-CD1 4.25Å; F371-I375 HydrophobicContact CD1-CG2 4.37Å; F371-I375 HydrophobicContact CE1-CD1 4.08Å; F371-I375 HydrophobicContact CE1-CG2 3.95Å; F371-I375 HydrophobicContact CZ-CG2 4.06Å; F371-I375 WeakPolarHBondContact O-CG1 3.35Å; F371-I375 PolarHBondContact O-N 3.18Å; V372-I375 WeakPolarHBondContact O-CG1 3.18Å; V372-I375 PolarHBondContact O-N 3.28Å; I375-E377 PolarHBondContact O-N 2.74Å; I375-Q378 WeakPolarHBondContact O-CB 3.35Å; I375-Q378 PolarHBondContact O-N 2.73Å; I375-R379 PolarHBondContact O-N 3.09Å; I375-L382 HydrophobicContact CB-CD1 3.93Å; I375-L382 HydrophobicContact CD1-CB 4.31Å; I375-L382 HydrophobicContact CD1-CD1 3.94Å; I375-L382 HydrophobicContact CG1-CB 4.35Å; I375-L382 HydrophobicContact CG1-CD1 3.76Å
376	R	96	Very high	96.1	Very high	14 Å²	14	29.8 Å²	29.8	5%	0.053	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-16.6	172.2	-82	-176	174.2	-167	4	113.8	Y144 L147 P148 V372 S373 K374 Q378 R379 L382 I383	Y144-R376 PolarHBondContact OH-NH2 2.68Å; L147-R376 VanDerWaalsContact CB-NH1 3.29Å; P148-R376 WeakPolarHBondContact O-CD 3.47Å; P148-R376 PolarHBondContact O-NH1 3.34Å; P148-R376 VanDerWaalsContact O-NH1 3.1Å; V372-R376 HydrophobicContact CG1-CG 4.33Å; V372-R376 WeakPolarHBondContact O-CB 3.18Å; V372-R376 VanDerWaalsContact O-CG 3.32Å; V372-R376 WeakPolarHBondContact O-CG 3.23Å; V372-R376 PolarHBondContact O-N 3.22Å; S373-R376 PolarHBondContact O-N 3.1Å; K374-R376 PolarHBondContact O-N 3.49Å; R376-Q378 VanDerWaalsContact C-N 3.32Å; R376-R379 WeakPolarHBondContact CA-O 3.26Å; R376-L382 HydrophobicContact CG-CB 4.21Å; R376-L382 PolarHBondContact NE-O 2.82Å; R376-L382 PolarHBondContact NH2-O 2.9Å; R376-I383 PolarHBondContact NH2-O 2.83Å
377	E	95	Very high	96	Very high	107 Å²	107	33.7 Å²	33.7	50%	0.5	17%	0.172	S	C	.	.	H	α-helix	trans	-73.4	-28	169.3	-60.4	176.7	179	0	0	111.7	N151 Y176 H178 K374 I375	N151-E377 HydrophobicContact CB-CB 4.45Å; Y176-E377 VanDerWaalsContact CD2-O 3.28Å; Y176-E377 WeakPolarHBondContact CD2-O 3.5Å; Y176-E377 WeakPolarHBondContact CE2-O 3.44Å; H178-E377 PolarHBondContact CE1-O 2.89Å; H178-E377 PolarHBondContact NE2-O 2.81Å; K374-E377 VanDerWaalsContact O-CB 3.3Å; K374-E377 WeakPolarHBondContact O-CB 3.37Å; K374-E377 PolarHBondContact O-N 3.38Å; I375-E377 PolarHBondContact O-N 2.74Å
378	Q	96.1	Very high	95.9	Very high	25 Å²	25	33 Å²	33	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-88.5	-33.8	179.2	-56.4	178.6	-72.2	0	0	112.5	S179 D201 I375 R376	S179-Q378 WeakPolarHBondContact CB-O 3.42Å; S179-Q378 PolarHBondContact OG-O 3.41Å; D201-Q378 PolarHBondContact OD1-NE2 3.07Å; I375-Q378 WeakPolarHBondContact O-CB 3.35Å; I375-Q378 PolarHBondContact O-N 2.73Å; R376-Q378 VanDerWaalsContact C-N 3.32Å
379	R	95.8	Very high	95.9	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.167	C	C	.	.	S	Bend	trans	-148.3	125	171.7	-171.7	175.5	178.9	77.3	1.3	110.5	N196 S198 V200 A342 G343 V344 I375 R376 L382	N196-R379 PolarHBondContact OD1-NH1 3.01Å; N196-R379 PolarHBondContact OD1-NH2 2.91Å; S198-R379 PolarHBondContact OG-NH1 3.1Å; S198-R379 VanDerWaalsContact OG-NH1 3.12Å; V200-R379 HydrophobicContact CG2-CB 4.48Å; A342-R379 PolarHBondContact O-NH2 3.28Å; A342-R379 VanDerWaalsContact O-NH2 3.16Å; G343-R379 PolarHBondContact O-NE 3.22Å; V344-R379 HydrophobicContact CG1-CG 4.25Å; I375-R379 PolarHBondContact O-N 3.09Å; R376-R379 WeakPolarHBondContact CA-O 3.26Å; R379-L382 HydrophobicContact CB-CD1 3.94Å; R379-L382 HydrophobicContact CB-CG 4.15Å
380	S	91.4	Very high	95.9	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.035	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	149.5	-177	64.4	0	0	0	0	112.2	Y176 V344 L382	Y176-S380 WeakPolarHBondContact OH-CB 3.28Å; V344-S380 VanDerWaalsContact CG1-O 3.3Å; V344-S380 WeakPolarHBondContact CG1-O 3.32Å; S380-L382 PolarHBondContact O-N 3.18Å; S380-L382 VanDerWaalsContact O-N 3.09Å
381	Q	93	Very high	95.9	Very high	69 Å²	69	31.6 Å²	31.6	32%	0.322	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	19.1	172.5	-51.7	-174.3	8.7	0	0	116.7	V344 I383	V344-Q381 HydrophobicContact CG2-CB 4.43Å; Q381-I383 CarbonylContact O-C 3.59Å; Q381-I383 PolarHBondContact O-N 3.47Å
382	L	96.8	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-54.4	130.3	169.1	-76.7	169.7	0	0	0	110.1	V200 A211 V344 I375 R376 R379 S380	V200-L382 HydrophobicContact CG1-CD1 4.26Å; V200-L382 HydrophobicContact CG2-CD1 4.13Å; A211-L382 HydrophobicContact CB-CD2 4.4Å; V344-L382 WeakPolarHBondContact O-CA 3.46Å; I375-L382 HydrophobicContact CB-CD1 3.93Å; I375-L382 HydrophobicContact CD1-CB 4.31Å; I375-L382 HydrophobicContact CD1-CD1 3.94Å; I375-L382 HydrophobicContact CG1-CB 4.35Å; I375-L382 HydrophobicContact CG1-CD1 3.76Å; R376-L382 HydrophobicContact CG-CB 4.21Å; R376-L382 PolarHBondContact NE-O 2.82Å; R376-L382 PolarHBondContact NH2-O 2.9Å; R379-L382 HydrophobicContact CB-CD1 3.94Å; R379-L382 HydrophobicContact CB-CG 4.15Å; S380-L382 PolarHBondContact O-N 3.18Å; S380-L382 VanDerWaalsContact O-N 3.09Å
383	I	96.3	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	57.9	99.7	-160.5	-55.5	-172.5	0	0	0	110.3	Y144 V344 V352 V372 R376 Q381 Q388 Y389 V392	Y144-I383 HydrophobicContact CE2-CG2 4.29Å; Y144-I383 WeakPolarHBondContact CE2-O 3.3Å; Y144-I383 PolarHBondContact OH-O 3.43Å; V344-I383 PolarHBondContact O-N 3.08Å; V352-I383 HydrophobicContact CB-CD1 4.06Å; V352-I383 HydrophobicContact CG1-CD1 4.24Å; V352-I383 HydrophobicContact CG2-CD1 3.79Å; V352-I383 HydrophobicContact CG2-CG1 4.32Å; V372-I383 HydrophobicContact CG2-CD1 3.68Å; R376-I383 PolarHBondContact NH2-O 2.83Å; Q381-I383 CarbonylContact O-C 3.59Å; Q381-I383 PolarHBondContact O-N 3.47Å; I383-Q388 HydrophobicContact CG2-CB 3.83Å; I383-Y389 HydrophobicContact CD1-CD2 4.37Å; I383-Y389 HydrophobicContact CG2-CD2 4.31Å; I383-V392 HydrophobicContact CD1-CG2 3.78Å
384	Q	94.3	Very high	96	Very high	80 Å²	80	32.6 Å²	32.6	37%	0.374	16%	0.161	S	C	.	.			trans	-91.3	-16.1	-166.1	-167.7	176.6	30.4	0	0	113.6	Y144	Y144-Q384 PolarHBondContact OH-O 2.66Å
385	T	95.6	Very high	96.1	Very high	52 Å²	52	27.9 Å²	27.9	32%	0.319	14%	0.14	S	C	.	.	S	Bend	trans	-134.8	154.2	-176.8	63.2	0	0	0	0	111.3	Y144 I387 Q388 Y389	Y144-T385 PolarHBondContact OH-N 3.33Å; T385-I387 VanDerWaalsContact C-N 3.31Å; T385-I387 PolarHBondContact O-N 3.04Å; T385-Q388 WeakPolarHBondContact O-CB 3.44Å; T385-Q388 PolarHBondContact O-N 3.45Å; T385-Q388 WeakPolarHBondContact OG1-CB 3.47Å; T385-Q388 VanDerWaalsContact OG1-CD 3.25Å; T385-Q388 WeakPolarHBondContact OG1-CG 3.09Å; T385-Q388 PolarHBondContact OG1-N 3.44Å; T385-Q388 PolarHBondContact OG1-OE1 3.35Å; T385-Y389 PolarHBondContact O-N 3.42Å; T385-Y389 VanDerWaalsContact O-N 3.07Å
386	D	95.1	Very high	96.2	Very high	51 Å²	51	27.9 Å²	27.9	27%	0.273	14%	0.14	S	C	.	.	H	α-helix	trans	-58.9	-38.4	172.3	57.4	-20	0	0	0	112.5	R141 Y144 Y389 S390	R141-D386 VanDerWaalsContact CD-OD2 3.31Å; R141-D386 WeakPolarHBondContact CD-OD2 3.21Å; R141-D386 HydrophobicContact CG-CB 3.95Å; R141-D386 WeakPolarHBondContact CG-OD2 3.34Å; Y144-D386 HydrophobicContact CD1-CB 3.89Å; Y144-D386 HydrophobicContact CG-CB 4.09Å; D386-Y389 WeakPolarHBondContact O-CB 3.04Å; D386-Y389 PolarHBondContact O-N 3.19Å; D386-Y389 VanDerWaalsContact O-N 3.17Å; D386-S390 PolarHBondContact O-N 2.8Å; D386-S390 PolarHBondContact O-OG 3.26Å
387	I	95.9	Very high	96.2	Very high	81 Å²	81	28 Å²	28	42%	0.415	14%	0.142	S	C	.	.	H	α-helix	trans	-68.3	-35.6	177.6	-54.3	175.6	0	0	0	111.3	V311 T385 Y389 S390 F391	V311-I387 HydrophobicContact CB-CG2 4.4Å; V311-I387 HydrophobicContact CG1-CG2 3.87Å; V311-I387 HydrophobicContact CG2-CG2 3.73Å; T385-I387 VanDerWaalsContact C-N 3.31Å; T385-I387 PolarHBondContact O-N 3.04Å; I387-Y389 VanDerWaalsContact C-N 3.32Å; I387-S390 PolarHBondContact O-OG 3.16Å; I387-F391 WeakPolarHBondContact O-CB 3.33Å; I387-F391 PolarHBondContact O-N 3.09Å
388	Q	97.4	Very high	96.1	Very high	17 Å²	17	23.8 Å²	23.8	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-37.2	171	-77.3	165.5	-0.4	0	0	111.8	W306 V311 G345 I383 T385 F391 V392	W306-Q388 HydrophobicContact CZ2-CG 4.23Å; V311-Q388 HydrophobicContact CG1-CG 4.17Å; G345-Q388 VanDerWaalsContact CA-OE1 3.31Å; I383-Q388 HydrophobicContact CG2-CB 3.83Å; T385-Q388 WeakPolarHBondContact O-CB 3.44Å; T385-Q388 PolarHBondContact O-N 3.45Å; T385-Q388 WeakPolarHBondContact OG1-CB 3.47Å; T385-Q388 VanDerWaalsContact OG1-CD 3.25Å; T385-Q388 WeakPolarHBondContact OG1-CG 3.09Å; T385-Q388 PolarHBondContact OG1-N 3.44Å; T385-Q388 PolarHBondContact OG1-OE1 3.35Å; Q388-F391 PolarHBondContact O-N 2.85Å; Q388-V392 PolarHBondContact O-N 3.48Å
389	Y	97.9	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-48	176.8	-170.3	-99.3	0	0	0	111.3	F140 E143 Y144 L147 V368 F369 V372 I383 T385 D386 I387 F391 V392 Y393	F140-Y389 HydrophobicContact CD1-CD1 4.23Å; F140-Y389 HydrophobicContact CD1-CE1 4.39Å; E143-Y389 HydrophobicContact CG-CE1 3.92Å; E143-Y389 PolarHBondContact OE1-OH 3.23Å; Y144-Y389 HydrophobicContact CD2-CD2 4.14Å; Y144-Y389 AromaticContact CD2-CG 3.97Å; Y144-Y389 HydrophobicContact CD2-CG 3.97Å; L147-Y389 HydrophobicContact CD1-CD2 4.08Å; L147-Y389 HydrophobicContact CD1-CE2 3.92Å; V368-Y389 HydrophobicContact CG1-CD2 4.36Å; V368-Y389 HydrophobicContact CG1-CE2 3.71Å; F369-Y389 WeakPolarHBondContact CA-OH 3.22Å; F369-Y389 WeakPolarHBondContact CB-OH 3.44Å; F369-Y389 PolarHBondContact N-OH 3.36Å; V372-Y389 HydrophobicContact CG2-CE2 4.21Å; I383-Y389 HydrophobicContact CD1-CD2 4.37Å; I383-Y389 HydrophobicContact CG2-CD2 4.31Å; T385-Y389 PolarHBondContact O-N 3.42Å; T385-Y389 VanDerWaalsContact O-N 3.07Å; D386-Y389 WeakPolarHBondContact O-CB 3.04Å; D386-Y389 PolarHBondContact O-N 3.19Å; D386-Y389 VanDerWaalsContact O-N 3.17Å; I387-Y389 VanDerWaalsContact C-N 3.32Å; Y389-F391 VanDerWaalsContact C-N 3.29Å; Y389-F391 PolarHBondContact O-N 3.03Å; Y389-V392 WeakPolarHBondContact O-CB 3.45Å; Y389-V392 PolarHBondContact O-N 3.47Å; Y389-Y393 HydrophobicContact CD1-CD2 4.5Å; Y389-Y393 HydrophobicContact CD1-CE2 4.07Å; Y389-Y393 HydrophobicContact CE1-CD2 4.34Å; Y389-Y393 AromaticContact CE1-CE2 3.51Å; Y389-Y393 HydrophobicContact CE1-CE2 3.51Å; Y389-Y393 AromaticContact CZ-CE2 3.79Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.31Å; Y389-Y393 PolarHBondContact OH-OH 3.29Å
390	S	97.2	Very high	95.9	Very high	28 Å²	28	29.2 Å²	29.2	20%	0.196	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-33.1	176.3	65.3	0	0	0	0	112.7	D386 I387 V392 Y393 Q394	D386-S390 PolarHBondContact O-N 2.8Å; D386-S390 PolarHBondContact O-OG 3.26Å; I387-S390 PolarHBondContact O-OG 3.16Å; S390-V392 VanDerWaalsContact C-N 3.31Å; S390-V392 PolarHBondContact O-N 3.29Å; S390-Y393 WeakPolarHBondContact O-CB 3.43Å; S390-Y393 PolarHBondContact O-N 3.49Å; S390-Y393 VanDerWaalsContact O-N 3.16Å; S390-Q394 PolarHBondContact O-N 3.4Å
391	F	97.9	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-32.1	175.2	-176.5	-101.9	0	0	0	113.4	V311 P312 P315 M318 T349 I353 I387 Q388 Y389 Y393 Q394 A395	V311-F391 HydrophobicContact CB-CB 4Å; V311-F391 HydrophobicContact CB-CD2 3.77Å; V311-F391 HydrophobicContact CB-CE2 4.37Å; V311-F391 HydrophobicContact CB-CG 3.85Å; V311-F391 HydrophobicContact CG1-CB 3.81Å; V311-F391 HydrophobicContact CG1-CG 4.1Å; V311-F391 HydrophobicContact CG2-CB 4.06Å; V311-F391 HydrophobicContact CG2-CD2 3.74Å; V311-F391 HydrophobicContact CG2-CG 4.12Å; P312-F391 HydrophobicContact CB-CE2 4.04Å; P312-F391 HydrophobicContact CB-CZ 3.93Å; P312-F391 HydrophobicContact CG-CE1 4.47Å; P312-F391 HydrophobicContact CG-CE2 4.31Å; P312-F391 HydrophobicContact CG-CZ 3.85Å; P312-F391 VanDerWaalsContact O-CE2 3.3Å; P312-F391 WeakPolarHBondContact O-CE2 3.43Å; P315-F391 HydrophobicContact CB-CE2 4.11Å; P315-F391 HydrophobicContact CB-CZ 4.09Å; M318-F391 HydrophobicContact CB-CE1 4.31Å; M318-F391 HydrophobicContact CB-CZ 4.31Å; M318-F391 HydrophobicContact CG-CE1 4.35Å; T349-F391 HydrophobicContact CG2-CD1 3.87Å; T349-F391 HydrophobicContact CG2-CE1 4.48Å; I353-F391 HydrophobicContact CD1-CD1 4.45Å; I353-F391 HydrophobicContact CD1-CE1 4.33Å; I387-F391 WeakPolarHBondContact O-CB 3.33Å; I387-F391 PolarHBondContact O-N 3.09Å; Q388-F391 PolarHBondContact O-N 2.85Å; Y389-F391 VanDerWaalsContact C-N 3.29Å; Y389-F391 PolarHBondContact O-N 3.03Å; F391-Y393 VanDerWaalsContact C-N 3.33Å; F391-Y393 PolarHBondContact O-N 3.07Å; F391-Q394 PolarHBondContact O-N 3.17Å; F391-A395 WeakPolarHBondContact O-CB 3.3Å; F391-A395 PolarHBondContact O-N 3.44Å
392	V	98.4	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.1	-50.4	171.1	172.9	0	0	0	0	109.7	T349 V352 I353 V368 I383 Q388 Y389 S390 Q394 A395 L396	T349-V392 HydrophobicContact CG2-CG2 3.86Å; V352-V392 HydrophobicContact CB-CG2 4.42Å; V352-V392 HydrophobicContact CG1-CG1 3.74Å; V352-V392 HydrophobicContact CG1-CG2 4.22Å; I353-V392 HydrophobicContact CG1-CB 4.39Å; I353-V392 HydrophobicContact CG1-CG1 4.19Å; I353-V392 HydrophobicContact CG1-CG2 4.2Å; V368-V392 HydrophobicContact CG1-CB 4.48Å; V368-V392 HydrophobicContact CG1-CG1 3.9Å; V368-V392 HydrophobicContact CG2-CG1 4.07Å; I383-V392 HydrophobicContact CD1-CG2 3.78Å; Q388-V392 PolarHBondContact O-N 3.48Å; Y389-V392 WeakPolarHBondContact O-CB 3.45Å; Y389-V392 PolarHBondContact O-N 3.47Å; S390-V392 VanDerWaalsContact C-N 3.31Å; S390-V392 PolarHBondContact O-N 3.29Å; V392-Q394 VanDerWaalsContact C-N 3.31Å; V392-Q394 PolarHBondContact O-N 3.26Å; V392-A395 PolarHBondContact O-N 3.1Å; V392-A395 VanDerWaalsContact O-N 3.15Å; V392-L396 HydrophobicContact CG1-CD1 3.87Å; V392-L396 HydrophobicContact CG1-CG 4.33Å; V392-L396 VanDerWaalsContact O-CG 3.32Å; V392-L396 WeakPolarHBondContact O-CG 3.07Å; V392-L396 PolarHBondContact O-N 2.98Å
393	Y	98.3	Very high	95.3	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-38.5	178.7	-75.1	-96.3	0	0	0	112.5	I120 L125 R132 F140 E143 V368 Y389 S390 F391 A395 L396 L397	I120-Y393 HydrophobicContact CD1-CE1 3.67Å; L125-Y393 HydrophobicContact CD1-CD1 4.28Å; R132-Y393 PolarHBondContact NH1-OH 3.46Å; F140-Y393 HydrophobicContact CD1-CD2 4.33Å; F140-Y393 HydrophobicContact CE1-CD1 4.2Å; F140-Y393 AromaticContact CE1-CD2 3.51Å; F140-Y393 HydrophobicContact CE1-CD2 3.51Å; F140-Y393 AromaticContact CE1-CE2 3.92Å; F140-Y393 HydrophobicContact CE1-CE2 3.92Å; F140-Y393 AromaticContact CE1-CG 3.66Å; F140-Y393 HydrophobicContact CE1-CG 3.66Å; F140-Y393 HydrophobicContact CZ-CD2 4.23Å; F140-Y393 AromaticContact CZ-CG 3.99Å; F140-Y393 HydrophobicContact CZ-CG 3.99Å; E143-Y393 PolarHBondContact OE1-OH 2.75Å; V368-Y393 HydrophobicContact CB-CE1 4.42Å; V368-Y393 HydrophobicContact CB-CE2 3.68Å; V368-Y393 WeakPolarHBondContact CB-OH 3.44Å; V368-Y393 HydrophobicContact CG1-CD2 4.4Å; V368-Y393 HydrophobicContact CG1-CE2 3.7Å; V368-Y393 HydrophobicContact CG2-CD1 4.43Å; V368-Y393 HydrophobicContact CG2-CD2 4.29Å; V368-Y393 HydrophobicContact CG2-CE1 3.96Å; V368-Y393 HydrophobicContact CG2-CE2 3.78Å; Y389-Y393 HydrophobicContact CD1-CD2 4.5Å; Y389-Y393 HydrophobicContact CD1-CE2 4.07Å; Y389-Y393 HydrophobicContact CE1-CD2 4.34Å; Y389-Y393 AromaticContact CE1-CE2 3.51Å; Y389-Y393 HydrophobicContact CE1-CE2 3.51Å; Y389-Y393 AromaticContact CZ-CE2 3.79Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.31Å; Y389-Y393 PolarHBondContact OH-OH 3.29Å; S390-Y393 WeakPolarHBondContact O-CB 3.43Å; S390-Y393 PolarHBondContact O-N 3.49Å; S390-Y393 VanDerWaalsContact O-N 3.16Å; F391-Y393 VanDerWaalsContact C-N 3.33Å; F391-Y393 PolarHBondContact O-N 3.07Å; Y393-A395 VanDerWaalsContact C-N 3.3Å; Y393-A395 PolarHBondContact O-N 3.5Å; Y393-L396 PolarHBondContact O-N 3.24Å; Y393-L397 VanDerWaalsContact O-CB 3.32Å; Y393-L397 WeakPolarHBondContact O-CB 3.4Å; Y393-L397 PolarHBondContact O-N 3Å
394	Q	96.5	Very high	94.9	Very high	52 Å²	52	35.8 Å²	35.8	24%	0.243	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-41.9	174.9	-168.9	-175.2	-4.7	0	0	111.3	Y129 P315 S390 F391 V392 E398	Y129-Q394 HydrophobicContact CE2-CB 3.98Å; P315-Q394 HydrophobicContact CG-CG 4.16Å; S390-Q394 PolarHBondContact O-N 3.4Å; F391-Q394 PolarHBondContact O-N 3.17Å; V392-Q394 VanDerWaalsContact C-N 3.31Å; V392-Q394 PolarHBondContact O-N 3.26Å; Q394-E398 VanDerWaalsContact O-CB 3.32Å; Q394-E398 WeakPolarHBondContact O-CB 3.41Å; Q394-E398 PolarHBondContact O-N 2.93Å
395	A	97.4	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68	-40	176.8	0	0	0	0	0	112.8	P315 L319 I353 F391 V392 Y393 E398 Y399	P315-A395 HydrophobicContact CB-CB 3.68Å; L319-A395 HydrophobicContact CD2-CB 4.3Å; I353-A395 HydrophobicContact CD1-CB 3.78Å; I353-A395 HydrophobicContact CG1-CB 4.1Å; I353-A395 HydrophobicContact CG2-CB 4.32Å; F391-A395 WeakPolarHBondContact O-CB 3.3Å; F391-A395 PolarHBondContact O-N 3.44Å; V392-A395 PolarHBondContact O-N 3.1Å; V392-A395 VanDerWaalsContact O-N 3.15Å; Y393-A395 VanDerWaalsContact C-N 3.3Å; Y393-A395 PolarHBondContact O-N 3.5Å; A395-E398 PolarHBondContact O-N 2.82Å; A395-Y399 WeakPolarHBondContact O-CB 3.23Å; A395-Y399 PolarHBondContact O-N 2.96Å
396	L	97.9	Very high	94.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-41.7	176.2	-64.7	172.9	0	0	0	111.9	L125 M356 I357 M360 V366 V368 V392 Y393 Y399 Y400	L125-L396 HydrophobicContact CD2-CB 4.16Å; M356-L396 HydrophobicContact CB-CD1 3.64Å; M356-L396 HydrophobicContact CB-CD2 3.52Å; M356-L396 HydrophobicContact CB-CG 4.2Å; M356-L396 HydrophobicContact CG-CD1 4.13Å; I357-L396 HydrophobicContact CG1-CD2 3.86Å; M360-L396 HydrophobicContact CE-CB 4.08Å; M360-L396 HydrophobicContact CE-CD2 4.25Å; V366-L396 HydrophobicContact CB-CD1 4.36Å; V366-L396 HydrophobicContact CG1-CD1 4.28Å; V368-L396 HydrophobicContact CG2-CD1 3.63Å; V392-L396 HydrophobicContact CG1-CD1 3.87Å; V392-L396 HydrophobicContact CG1-CG 4.33Å; V392-L396 VanDerWaalsContact O-CG 3.32Å; V392-L396 WeakPolarHBondContact O-CG 3.07Å; V392-L396 PolarHBondContact O-N 2.98Å; Y393-L396 PolarHBondContact O-N 3.24Å; L396-Y399 PolarHBondContact O-N 2.65Å; L396-Y400 WeakPolarHBondContact O-CB 3.44Å; L396-Y400 PolarHBondContact O-N 2.86Å
397	L	95.8	Very high	94.2	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.094	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-44.5	176.2	179.4	61.8	0	0	0	111.4	L125 E126 Y129 Y393 Y399 Y400 L401	L125-L397 HydrophobicContact CG-CD1 4.29Å; E126-L397 HydrophobicContact CB-CD1 3.76Å; E126-L397 HydrophobicContact CG-CD1 4.19Å; Y129-L397 HydrophobicContact CD1-CD2 3.43Å; Y129-L397 VanDerWaalsContact CD1-CD2 3.43Å; Y129-L397 HydrophobicContact CD2-CD2 4.42Å; Y129-L397 HydrophobicContact CE1-CD2 4.06Å; Y129-L397 HydrophobicContact CG-CD2 3.64Å; Y393-L397 VanDerWaalsContact O-CB 3.32Å; Y393-L397 WeakPolarHBondContact O-CB 3.4Å; Y393-L397 PolarHBondContact O-N 3Å; L397-Y399 VanDerWaalsContact C-N 3.31Å; L397-Y399 PolarHBondContact O-N 3.4Å; L397-Y400 HydrophobicContact CD1-CD1 4.46Å; L397-Y400 PolarHBondContact O-N 3.28Å; L397-L401 HydrophobicContact CD1-CD1 3.78Å; L397-L401 HydrophobicContact CD1-CD2 4.37Å; L397-L401 HydrophobicContact CD1-CG 3.83Å; L397-L401 HydrophobicContact CD2-CD1 4.44Å; L397-L401 HydrophobicContact CG-CD1 3.8Å; L397-L401 HydrophobicContact CG-CG 4.25Å; L397-L401 WeakPolarHBondContact O-CB 3.2Å; L397-L401 VanDerWaalsContact O-CG 3.3Å; L397-L401 WeakPolarHBondContact O-CG 3.31Å; L397-L401 PolarHBondContact O-N 3.37Å
398	E	93.9	Very high	94	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-48.6	174.3	177.6	78	-168.4	0	0	111	P315 L319 Q394 A395 Y400 L401 Y402 K663	P315-E398 HydrophobicContact CB-CB 4.49Å; P315-E398 HydrophobicContact CG-CB 3.62Å; P315-E398 HydrophobicContact CG-CG 3.78Å; L319-E398 HydrophobicContact CD1-CB 4.01Å; L319-E398 HydrophobicContact CD1-CG 3.61Å; Q394-E398 VanDerWaalsContact O-CB 3.32Å; Q394-E398 WeakPolarHBondContact O-CB 3.41Å; Q394-E398 PolarHBondContact O-N 2.93Å; A395-E398 PolarHBondContact O-N 2.82Å; E398-Y400 PolarHBondContact O-N 3.42Å; E398-L401 PolarHBondContact O-N 3.45Å; E398-Y402 VanDerWaalsContact CD-CD2 3.48Å; E398-Y402 HydrophobicContact CG-CD2 4.2Å; E398-Y402 VanDerWaalsContact O-CD2 3.25Å; E398-Y402 WeakPolarHBondContact O-CD2 3.35Å; E398-Y402 PolarHBondContact O-N 3.15Å; E398-Y402 VanDerWaalsContact O-N 3.15Å; E398-Y402 WeakPolarHBondContact OE1-CD2 3.22Å; E398-Y402 WeakPolarHBondContact OE2-CE2 3.47Å; E398-K663 VanDerWaalsContact OE1-CE 3.29Å; E398-K663 WeakPolarHBondContact OE1-CE 3.45Å; E398-K663 IonicContact OE1-NZ 3.69Å; E398-K663 PolarHBondContact OE1-NZ 3.29Å; E398-K663 IonicContact OE2-NZ 3.31Å; E398-K663 PolarHBondContact OE2-NZ 3.14Å
399	Y	94.3	Very high	93.6	Very high	50 Å²	50	30.3 Å²	30.3	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-41.5	179.3	-172.2	-92.9	0	0	0	111.8	L319 I357 M360 H361 A395 L396 L397 G403	L319-Y399 HydrophobicContact CD2-CD2 4.28Å; I357-Y399 HydrophobicContact CD1-CD1 4.43Å; I357-Y399 HydrophobicContact CD1-CD2 4.02Å; I357-Y399 HydrophobicContact CD1-CE2 4.39Å; I357-Y399 HydrophobicContact CD1-CG 4.03Å; I357-Y399 HydrophobicContact CG1-CD1 4.1Å; I357-Y399 HydrophobicContact CG1-CE1 4.46Å; I357-Y399 HydrophobicContact CG1-CG 4.16Å; I357-Y399 HydrophobicContact CG2-CD1 4.23Å; I357-Y399 HydrophobicContact CG2-CE1 3.73Å; I357-Y399 HydrophobicContact CG2-CE2 4.35Å; M360-Y399 HydrophobicContact SD-CD1 3.81Å; M360-Y399 HydrophobicContact SD-CE1 4.35Å; H361-Y399 AromaticContact CE1-CE1 3.99Å; H361-Y399 AromaticContact CE1-CZ 3.85Å; H361-Y399 PolarHBondContact CE1-OH 3.34Å; H361-Y399 AromaticContact NE2-CE1 3.32Å; H361-Y399 VanDerWaalsContact NE2-CE1 3.32Å; H361-Y399 WeakPolarHBondContact NE2-CE1 3.25Å; H361-Y399 AromaticContact NE2-CZ 3.51Å; H361-Y399 PolarHBondContact NE2-OH 3.21Å; A395-Y399 WeakPolarHBondContact O-CB 3.23Å; A395-Y399 PolarHBondContact O-N 2.96Å; L396-Y399 PolarHBondContact O-N 2.65Å; L397-Y399 VanDerWaalsContact C-N 3.31Å; L397-Y399 PolarHBondContact O-N 3.4Å; Y399-G403 WeakPolarHBondContact O-CA 3.48Å; Y399-G403 PolarHBondContact O-N 2.92Å
400	Y	93.3	Very high	93.2	Very high	89 Å²	89	34.7 Å²	34.7	35%	0.349	19%	0.187	S	C	.	.	H	α-helix	trans	-64.3	-46.3	177.4	172.8	-107.5	0	0	0	113	V122 D123 L125 M360 L396 L397 E398	V122-Y400 HydrophobicContact CB-CD2 3.86Å; V122-Y400 HydrophobicContact CB-CE2 3.72Å; V122-Y400 HydrophobicContact CG2-CD2 4.36Å; V122-Y400 HydrophobicContact CG2-CE2 3.82Å; V122-Y400 VanDerWaalsContact O-CE1 3.3Å; V122-Y400 WeakPolarHBondContact O-CE1 3.4Å; D123-Y400 WeakPolarHBondContact CA-OH 3.3Å; L125-Y400 HydrophobicContact CD2-CG 4.48Å; M360-Y400 HydrophobicContact SD-CD2 4.5Å; L396-Y400 WeakPolarHBondContact O-CB 3.44Å; L396-Y400 PolarHBondContact O-N 2.86Å; L397-Y400 HydrophobicContact CD1-CD1 4.46Å; L397-Y400 PolarHBondContact O-N 3.28Å; E398-Y400 PolarHBondContact O-N 3.42Å
401	L	90.6	Very high	92.9	Very high	48 Å²	48	36.4 Å²	36.4	25%	0.251	20%	0.199	S	C	.	.	H	α-helix	trans	-71.4	-35.5	-175	-70.3	175.6	0	0	0	113.1	L397 E398	L397-L401 HydrophobicContact CD1-CD1 3.78Å; L397-L401 HydrophobicContact CD1-CD2 4.37Å; L397-L401 HydrophobicContact CD1-CG 3.83Å; L397-L401 HydrophobicContact CD2-CD1 4.44Å; L397-L401 HydrophobicContact CG-CD1 3.8Å; L397-L401 HydrophobicContact CG-CG 4.25Å; L397-L401 WeakPolarHBondContact O-CB 3.2Å; L397-L401 VanDerWaalsContact O-CG 3.3Å; L397-L401 WeakPolarHBondContact O-CG 3.31Å; L397-L401 PolarHBondContact O-N 3.37Å; E398-L401 PolarHBondContact O-N 3.45Å
402	Y	90.3	Very high	92.6	Very high	43 Å²	43	36.4 Å²	36.4	17%	0.169	20%	0.199	C	C	.	.	H	α-helix	trans	-117.9	-26.3	-168.1	-51.7	-59.5	0	0	0	113.8	E398 K437 F659 K663	E398-Y402 VanDerWaalsContact CD-CD2 3.48Å; E398-Y402 HydrophobicContact CG-CD2 4.2Å; E398-Y402 VanDerWaalsContact O-CD2 3.25Å; E398-Y402 WeakPolarHBondContact O-CD2 3.35Å; E398-Y402 PolarHBondContact O-N 3.15Å; E398-Y402 VanDerWaalsContact O-N 3.15Å; E398-Y402 WeakPolarHBondContact OE1-CD2 3.22Å; E398-Y402 WeakPolarHBondContact OE2-CE2 3.47Å; Y402-K437 HydrophobicContact CD1-CD 4.3Å; Y402-K437 HydrophobicContact CE1-CB 4.19Å; Y402-F659 AromaticContact CD1-CE1 3.56Å; Y402-F659 HydrophobicContact CD1-CE1 3.56Å; Y402-F659 AromaticContact CD1-CZ 3.39Å; Y402-F659 HydrophobicContact CD1-CZ 3.39Å; Y402-F659 HydrophobicContact CE1-CE1 4.31Å; Y402-F659 AromaticContact CE1-CZ 3.89Å; Y402-F659 HydrophobicContact CE1-CZ 3.89Å; Y402-F659 AromaticContact CG-CE1 3.74Å; Y402-F659 HydrophobicContact CG-CE1 3.74Å; Y402-F659 HydrophobicContact CG-CZ 4.09Å; Y402-K663 HydrophobicContact CD2-CD 4.38Å; Y402-K663 HydrophobicContact CE2-CD 4.25Å
403	G	87.6	Confident	92.1	Very high	29 Å²	29	43.4 Å²	43.4	30%	0.299	23%	0.232	S	C	.	.			trans	62.5	-161	-178	0	0	0	0	0	113.8	Y399	Y399-G403 WeakPolarHBondContact O-CA 3.48Å; Y399-G403 PolarHBondContact O-N 2.92Å
404	D	86.7	Confident	91.7	Very high	93 Å²	93	45.3 Å²	45.3	50%	0.497	25%	0.252	S	S	.	.			trans	-86.4	110.1	172.4	-170.5	12.9	0	0	0	109.9	K323 E406	K323-D404 WeakPolarHBondContact CE-OD2 3.32Å; K323-D404 IonicContact NZ-OD1 2.66Å; K323-D404 PolarHBondContact NZ-OD1 3.41Å; K323-D404 IonicContact NZ-OD2 2.7Å; K323-D404 PolarHBondContact NZ-OD2 2.84Å; D404-E406 WeakPolarHBondContact OD1-CB 3.4Å; D404-E406 PolarHBondContact OD1-N 3.2Å
405	T	90.3	Very high	91.4	Very high	28 Å²	28	44.7 Å²	44.7	17%	0.172	25%	0.249	C	C	.	.			trans	-108.3	6.4	-178.5	35.3	0	0	0	0	112.2	F659 Q660	T405-F659 HydrophobicContact CG2-CB 4.06Å; T405-F659 HydrophobicContact CG2-CD1 3.94Å; T405-F659 HydrophobicContact CG2-CG 4.06Å; T405-Q660 WeakPolarHBondContact OG1-CG 3.35Å
406	E	90.6	Very high	91	Very high	29 Å²	29	45.6 Å²	45.6	14%	0.136	25%	0.254	C	S	.	.			trans	-82.5	138	176.3	178.1	175.7	88.6	0	0	111	K323 D404 R649 L655 L656 D657	K323-E406 WeakPolarHBondContact CE-OE1 3.49Å; K323-E406 IonicContact NZ-OE1 2.78Å; K323-E406 PolarHBondContact NZ-OE1 3.28Å; D404-E406 WeakPolarHBondContact OD1-CB 3.4Å; D404-E406 PolarHBondContact OD1-N 3.2Å; E406-R649 IonicContact OE2-CZ 2.68Å; E406-R649 IonicContact OE2-NH1 2.93Å; E406-R649 PolarHBondContact OE2-NH1 3.49Å; E406-R649 IonicContact OE2-NH2 2.87Å; E406-R649 PolarHBondContact OE2-NH2 3.35Å; E406-L655 HydrophobicContact CG-CB 4.47Å; E406-L656 WeakPolarHBondContact CA-O 3.31Å; E406-D657 HydrophobicContact CB-CB 4.19Å; E406-D657 HydrophobicContact CG-CB 4.48Å
407	L	90.8	Very high	90.4	Very high	27 Å²	27	51.5 Å²	51.5	14%	0.141	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.2	-176.1	-57.8	169.1	0	0	0	109.9	H415 L655 L656 Y683	L407-H415 HydrophobicContact CD1-CB 3.89Å; L407-H415 WeakPolarHBondContact CD1-CD2 3.39Å; L407-H415 VanDerWaalsContact CD1-CG 3.48Å; L407-H415 HydrophobicContact CD2-CB 4.3Å; L407-L655 WeakPolarHBondContact O-CA 3.27Å; L407-L656 HydrophobicContact CB-CD2 3.9Å; L407-L656 HydrophobicContact CB-CG 4.07Å; L407-L656 PolarHBondContact N-O 3.22Å; L407-L656 PolarHBondContact O-N 3.1Å; L407-Y683 HydrophobicContact CD1-CE1 4.42Å
408	D	90.3	Very high	90	Very high	72 Å²	72	57.3 Å²	57.3	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.7	159.4	-168.6	-82.2	0	0	0	109.3	S410 S411 L412 L655	D408-S410 PolarHBondContact O-N 3.5Å; D408-S410 VanDerWaalsContact OD1-CB 3.23Å; D408-S410 WeakPolarHBondContact OD1-CB 3.43Å; D408-S410 PolarHBondContact OD1-N 3.38Å; D408-S410 PolarHBondContact OD1-OG 3.13Å; D408-S411 WeakPolarHBondContact O-CB 3.34Å; D408-S411 PolarHBondContact O-N 3Å; D408-L412 PolarHBondContact O-N 3.36Å; D408-L655 HydrophobicContact CB-CD2 4.32Å
409	V	90.6	Very high	89.6	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.055	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-53.5	-38.1	176.8	165	0	0	0	0	111.3	S411 L412 V650 G654 L656 V690 F699	V409-S411 PolarHBondContact O-N 3.48Å; V409-L412 VanDerWaalsContact O-CB 3.29Å; V409-L412 WeakPolarHBondContact O-CB 3.31Å; V409-L412 PolarHBondContact O-N 3.39Å; V409-V650 HydrophobicContact CG2-CG1 3.82Å; V409-V650 HydrophobicContact CG2-CG2 4.32Å; V409-G654 VanDerWaalsContact CG2-O 3.26Å; V409-G654 WeakPolarHBondContact CG2-O 3.43Å; V409-G654 PolarHBondContact N-O 2.89Å; V409-G654 VanDerWaalsContact N-O 3.07Å; V409-L656 HydrophobicContact CG2-CD2 4.23Å; V409-V690 HydrophobicContact CG1-CB 4.21Å; V409-V690 HydrophobicContact CG1-CG1 3.52Å; V409-V690 HydrophobicContact CG1-CG2 3.55Å; V409-V690 HydrophobicContact CG2-CG2 4.33Å; V409-F699 HydrophobicContact CB-CD1 4.47Å; V409-F699 HydrophobicContact CG1-CB 4.24Å; V409-F699 HydrophobicContact CG1-CD1 4.17Å; V409-F699 HydrophobicContact CG1-CG 4.18Å; V409-F699 HydrophobicContact CG2-CD1 4.21Å; V409-F699 HydrophobicContact CG2-CE1 4.48Å
410	S	88.1	Confident	89.2	Confident	93 Å²	93	58.7 Å²	58.7	65%	0.65	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.7	-21.8	177.3	63.6	0	0	0	0	114.2	D408	D408-S410 PolarHBondContact O-N 3.5Å; D408-S410 VanDerWaalsContact OD1-CB 3.23Å; D408-S410 WeakPolarHBondContact OD1-CB 3.43Å; D408-S410 PolarHBondContact OD1-N 3.38Å; D408-S410 PolarHBondContact OD1-OG 3.13Å
411	S	91.1	Very high	88.4	Confident	63 Å²	63	58.1 Å²	58.1	44%	0.441	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-94.6	-4.3	-179.2	-62.9	0	0	0	0	113.3	D408 V409 H415	D408-S411 WeakPolarHBondContact O-CB 3.34Å; D408-S411 PolarHBondContact O-N 3Å; V409-S411 PolarHBondContact O-N 3.48Å; S411-H415 WeakPolarHBondContact O-CB 3.25Å; S411-H415 PolarHBondContact O-N 2.59Å
412	L	91.4	Very high	87.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-51.8	-174.2	179.2	56.6	0	0	0	112.3	D408 V409 G414 H415 L416 L656 Y683 V686 Q687	D408-L412 PolarHBondContact O-N 3.36Å; V409-L412 VanDerWaalsContact O-CB 3.29Å; V409-L412 WeakPolarHBondContact O-CB 3.31Å; V409-L412 PolarHBondContact O-N 3.39Å; L412-G414 VanDerWaalsContact C-N 3.34Å; L412-G414 PolarHBondContact O-N 2.87Å; L412-H415 WeakPolarHBondContact O-CA 3.28Å; L412-H415 WeakPolarHBondContact O-CB 3.47Å; L412-H415 PolarHBondContact O-N 2.97Å; L412-L416 HydrophobicContact CD1-CD1 4.21Å; L412-L416 HydrophobicContact CD1-CD2 4.29Å; L412-L416 HydrophobicContact CD1-CG 4.04Å; L412-L416 HydrophobicContact CG-CD1 4.21Å; L412-L416 HydrophobicContact CG-CG 4.41Å; L412-L416 WeakPolarHBondContact O-CG 3.32Å; L412-L416 PolarHBondContact O-N 3.27Å; L412-L656 HydrophobicContact CB-CD2 4.49Å; L412-L656 HydrophobicContact CD1-CD1 3.7Å; L412-L656 HydrophobicContact CD2-CD1 4.41Å; L412-Y683 HydrophobicContact CD1-CD1 4.07Å; L412-V686 HydrophobicContact CD2-CB 4.35Å; L412-V686 HydrophobicContact CD2-CG1 3.85Å; L412-Q687 HydrophobicContact CD2-CB 4.21Å
413	E	89.4	Confident	85.5	Confident	147 Å²	147	64.3 Å²	64.3	69%	0.687	35%	0.346	S	S	*	.	H	α-helix	trans	-58	-46.5	-176.9	-173.2	-175.5	177.9	0	0	111.5	H415 L416 H417	E413-H415 VanDerWaalsContact C-N 3.31Å; E413-H415 PolarHBondContact O-N 3.22Å; E413-L416 PolarHBondContact O-N 3.14Å; E413-H417 PolarHBondContact O-N 3.42Å
414	G	89	Confident	83.7	Confident	43 Å²	43	66 Å²	66	44%	0.443	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-33	177	0	0	0	0	0	113.1	L412 K418	L412-G414 VanDerWaalsContact C-N 3.34Å; L412-G414 PolarHBondContact O-N 2.87Å; G414-K418 WeakPolarHBondContact O-CG 3.16Å; G414-K418 PolarHBondContact O-N 3.3Å
415	H	89.5	Confident	81.7	Confident	39 Å²	39	70.3 Å²	70.3	18%	0.181	38%	0.38	C	S	.	.	H	α-helix	trans	-68.8	-44.6	174	-177.1	78.7	0	0	0	111.7	L407 S411 L412 E413 H417 K418 L419 Y683	L407-H415 HydrophobicContact CD1-CB 3.89Å; L407-H415 WeakPolarHBondContact CD1-CD2 3.39Å; L407-H415 VanDerWaalsContact CD1-CG 3.48Å; L407-H415 HydrophobicContact CD2-CB 4.3Å; S411-H415 WeakPolarHBondContact O-CB 3.25Å; S411-H415 PolarHBondContact O-N 2.59Å; L412-H415 WeakPolarHBondContact O-CA 3.28Å; L412-H415 WeakPolarHBondContact O-CB 3.47Å; L412-H415 PolarHBondContact O-N 2.97Å; E413-H415 VanDerWaalsContact C-N 3.31Å; E413-H415 PolarHBondContact O-N 3.22Å; H415-H417 VanDerWaalsContact C-N 3.34Å; H415-H417 PolarHBondContact O-N 3.4Å; H415-K418 WeakPolarHBondContact O-CB 3.4Å; H415-K418 PolarHBondContact O-N 3.45Å; H415-K418 VanDerWaalsContact O-N 3.13Å; H415-L419 VanDerWaalsContact NE2-CD1 3.35Å; H415-L419 WeakPolarHBondContact NE2-CD1 3.46Å; H415-L419 WeakPolarHBondContact O-CG 3.5Å; H415-L419 PolarHBondContact O-N 3.35Å; H415-Y683 AromaticContact CD2-CE1 3.9Å; H415-Y683 AromaticContact NE2-CZ 3.89Å; H415-Y683 PolarHBondContact NE2-OH 3.5Å
416	L	88.6	Confident	79.9	Confident	19 Å²	19	72.2 Å²	72.2	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-43.5	175.7	-65.1	-179.1	0	0	0	112	L412 E413 K418 L419 H420 Y683 Q687	L412-L416 HydrophobicContact CD1-CD1 4.21Å; L412-L416 HydrophobicContact CD1-CD2 4.29Å; L412-L416 HydrophobicContact CD1-CG 4.04Å; L412-L416 HydrophobicContact CG-CD1 4.21Å; L412-L416 HydrophobicContact CG-CG 4.41Å; L412-L416 WeakPolarHBondContact O-CG 3.32Å; L412-L416 PolarHBondContact O-N 3.27Å; E413-L416 PolarHBondContact O-N 3.14Å; L416-K418 VanDerWaalsContact C-N 3.26Å; L416-K418 PolarHBondContact O-N 2.98Å; L416-L419 PolarHBondContact O-N 2.85Å; L416-L419 VanDerWaalsContact O-N 3.14Å; L416-H420 PolarHBondContact O-N 3.33Å; L416-H420 PolarHBondContact O-ND1 2.93Å; L416-Y683 HydrophobicContact CD2-CD1 3.63Å; L416-Y683 HydrophobicContact CD2-CE1 4.5Å; L416-Y683 HydrophobicContact CD2-CG 3.65Å; L416-Q687 HydrophobicContact CD1-CB 4.05Å; L416-Q687 HydrophobicContact CD1-CG 4.28Å
417	H	86.8	Confident	77.9	Confident	123 Å²	123	75.4 Å²	75.4	57%	0.569	42%	0.424	S	S	*	.	H	α-helix	trans	-57.1	-41.6	175.4	-172.8	82.3	0	0	0	111.9	E413 H415 N421	E413-H417 PolarHBondContact O-N 3.42Å; H415-H417 VanDerWaalsContact C-N 3.34Å; H415-H417 PolarHBondContact O-N 3.4Å; H417-N421 PolarHBondContact CE1-ND2 3.44Å; H417-N421 PolarHBondContact ND1-ND2 2.99Å; H417-N421 VanDerWaalsContact O-CB 3.28Å; H417-N421 WeakPolarHBondContact O-CB 3.4Å; H417-N421 PolarHBondContact O-N 3Å; H417-N421 PolarHBondContact O-ND2 2.97Å
418	K	86.2	Confident	76.1	Confident	141 Å²	141	85.1 Å²	85.1	61%	0.613	46%	0.459	S	S	*	.	H	α-helix	trans	-66.1	-42.7	175.8	-71.6	173.7	-175.9	179.6	0	112.3	G414 H415 L416 H420 T422	G414-K418 WeakPolarHBondContact O-CG 3.16Å; G414-K418 PolarHBondContact O-N 3.3Å; H415-K418 WeakPolarHBondContact O-CB 3.4Å; H415-K418 PolarHBondContact O-N 3.45Å; H415-K418 VanDerWaalsContact O-N 3.13Å; L416-K418 VanDerWaalsContact C-N 3.26Å; L416-K418 PolarHBondContact O-N 2.98Å; K418-H420 VanDerWaalsContact C-N 3.33Å; K418-H420 PolarHBondContact O-N 3.41Å; K418-T422 PolarHBondContact O-N 2.71Å; K418-T422 PolarHBondContact O-OG1 3.05Å
419	L	86	Confident	74.7	Confident	8 Å²	8	83.7 Å²	83.7	4%	0.042	45%	0.453	C	S	.	.	H	α-helix	trans	-65.6	-32.9	-179.5	-73.8	-176.4	0	0	0	113.4	H415 L416 T422 L431 Y683	H415-L419 VanDerWaalsContact NE2-CD1 3.35Å; H415-L419 WeakPolarHBondContact NE2-CD1 3.46Å; H415-L419 WeakPolarHBondContact O-CG 3.5Å; H415-L419 PolarHBondContact O-N 3.35Å; L416-L419 PolarHBondContact O-N 2.85Å; L416-L419 VanDerWaalsContact O-N 3.14Å; L419-T422 PolarHBondContact O-OG1 3.42Å; L419-L431 HydrophobicContact CB-CB 4.27Å; L419-L431 HydrophobicContact CD1-CD1 4.12Å; L419-L431 PolarHBondContact O-N 3.5Å; L419-L431 VanDerWaalsContact O-N 3.08Å; L419-Y683 HydrophobicContact CD1-CD2 4.25Å; L419-Y683 HydrophobicContact CD1-CE1 4.46Å; L419-Y683 HydrophobicContact CD1-CE2 3.81Å
420	H	85.3	Confident	74.3	Confident	88 Å²	88	83.7 Å²	83.7	41%	0.407	45%	0.454	S	S	.	.	H	α-helix	trans	-93.6	-23.8	-178.4	-65.4	140.9	0	0	0	114.5	L416 K418 D680	L416-H420 PolarHBondContact O-N 3.33Å; L416-H420 PolarHBondContact O-ND1 2.93Å; K418-H420 VanDerWaalsContact C-N 3.33Å; K418-H420 PolarHBondContact O-N 3.41Å; H420-D680 IonicContact CD2-OD1 3.63Å; H420-D680 IonicContact CE1-OD1 3.94Å; H420-D680 PolarHBondContact CE1-OD1 3.32Å; H420-D680 IonicContact NE2-OD1 3.38Å; H420-D680 PolarHBondContact NE2-OD1 2.84Å
421	N	76.4	Confident	74.3	Confident	77 Å²	77	80.3 Å²	80.3	41%	0.412	43%	0.429	S	S	.	.			trans	-107.2	19	-175.9	-61.1	-67.1	0	0	0	114.2	H417 F423	H417-N421 PolarHBondContact CE1-ND2 3.44Å; H417-N421 PolarHBondContact ND1-ND2 2.99Å; H417-N421 VanDerWaalsContact O-CB 3.28Å; H417-N421 WeakPolarHBondContact O-CB 3.4Å; H417-N421 PolarHBondContact O-N 3Å; H417-N421 PolarHBondContact O-ND2 2.97Å; N421-F423 VanDerWaalsContact O-CD2 3.3Å; N421-F423 WeakPolarHBondContact O-CD2 3.48Å; N421-F423 PolarHBondContact O-N 2.7Å
422	T	64.6	Low	74.2	Confident	38 Å²	38	84.3 Å²	84.3	23%	0.233	44%	0.441	C	S	.	.			trans	-73.3	90.1	178.6	-11.1	0	0	0	0	110.4	K418 L419 D427 G430	K418-T422 PolarHBondContact O-N 2.71Å; K418-T422 PolarHBondContact O-OG1 3.05Å; L419-T422 PolarHBondContact O-OG1 3.42Å; T422-D427 HydrophobicContact CG2-CB 3.55Å; T422-G430 VanDerWaalsContact OG1-CA 3.22Å; T422-G430 WeakPolarHBondContact OG1-CA 3.32Å
423	F	55.5	Low	74	Confident	183 Å²	183	89 Å²	89	80%	0.803	46%	0.462	S	S	*	.			trans	-112.6	-4.1	177.8	-67.9	-77.9	0	0	0	113.8	N421	N421-F423 VanDerWaalsContact O-CD2 3.3Å; N421-F423 WeakPolarHBondContact O-CD2 3.48Å; N421-F423 PolarHBondContact O-N 2.7Å
424	A	49.7	Very low	74.1	Confident	65 Å²	65	82.5 Å²	82.5	54%	0.537	43%	0.432	S	S	.	.	S	Bend	trans	-106.4	138	-171.9	0	0	0	0	0	113.1	G426 D427	A424-G426 PolarHBondContact O-N 2.86Å; A424-D427 PolarHBondContact O-N 2.71Å
425	D	44.8	Very low	74.3	Confident	183 Å²	183	81.4 Å²	81.4	98%	0.979	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	112.6	174.2	-139.8	0.2	0	0	0	109.2
426	G	53	Low	74.5	Confident	68 Å²	68	85.7 Å²	85.7	70%	0.701	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.3	-6.7	-179.6	0	0	0	0	0	116.4	A424	A424-G426 PolarHBondContact O-N 2.86Å
427	D	48.3	Very low	74.6	Confident	97 Å²	97	88.2 Å²	88.2	52%	0.519	44%	0.443	S	S	.	.			trans	-80.7	121.5	170.2	-129.6	-9.4	0	0	0	109	T422 A424 V429	T422-D427 HydrophobicContact CG2-CB 3.55Å; A424-D427 PolarHBondContact O-N 2.71Å; D427-V429 PolarHBondContact O-N 2.47Å
428	R	53.5	Low	74.9	Confident	230 Å²	230	82.4 Å²	82.4	87%	0.868	42%	0.416	S	S	*	.			trans	-77	-13.4	-154.2	-78.3	-173.6	173.5	-170.1	-2.6	116.8
429	V	60.3	Low	75.1	Confident	43 Å²	43	79.1 Å²	79.1	26%	0.261	41%	0.408	S	S	.	.			trans	-158	117.9	174.1	-158.6	0	0	0	0	112.8	D427 E433 E434	D427-V429 PolarHBondContact O-N 2.47Å; V429-E433 VanDerWaalsContact CA-OE2 3.24Å; V429-E433 WeakPolarHBondContact CA-OE2 3.18Å; V429-E433 HydrophobicContact CG1-CB 3.85Å; V429-E434 HydrophobicContact CG1-CB 3.63Å; V429-E434 VanDerWaalsContact CG1-N 3.3Å
430	G	81.9	Confident	75.2	Confident	9 Å²	9	84.4 Å²	84.4	9%	0.093	44%	0.437	C	S	.	.			trans	-90	166	158.5	0	0	0	0	0	112.7	T422 E432 E433 E434	T422-G430 VanDerWaalsContact OG1-CA 3.22Å; T422-G430 WeakPolarHBondContact OG1-CA 3.32Å; G430-E432 PolarHBondContact O-N 3.15Å; G430-E432 VanDerWaalsContact O-N 3.12Å; G430-E433 PolarHBondContact N-OE2 2.83Å; G430-E433 VanDerWaalsContact N-OE2 3.16Å; G430-E433 WeakPolarHBondContact O-CB 3.45Å; G430-E433 PolarHBondContact O-N 3.49Å; G430-E434 PolarHBondContact O-N 2.92Å
431	L	88.6	Confident	75.3	Confident	21 Å²	21	82 Å²	82	11%	0.11	43%	0.426	C	S	.	.	H	α-helix	trans	-49.8	-42.5	-178.3	-177	78.2	0	0	0	113.2	L419 F435 V676 Y679 D680 Y683	L419-L431 HydrophobicContact CB-CB 4.27Å; L419-L431 HydrophobicContact CD1-CD1 4.12Å; L419-L431 PolarHBondContact O-N 3.5Å; L419-L431 VanDerWaalsContact O-N 3.08Å; L431-F435 WeakPolarHBondContact O-CB 3.38Å; L431-F435 PolarHBondContact O-N 2.74Å; L431-V676 HydrophobicContact CD2-CG2 3.86Å; L431-V676 HydrophobicContact CG-CG2 4.04Å; L431-Y679 HydrophobicContact CD1-CD1 3.81Å; L431-Y679 HydrophobicContact CD1-CE1 4.16Å; L431-D680 HydrophobicContact CD2-CB 3.7Å; L431-Y683 HydrophobicContact CD1-CD2 4.18Å; L431-Y683 HydrophobicContact CD1-CE2 4.37Å
432	E	89.3	Confident	75.9	Confident	148 Å²	148	87.4 Å²	87.4	69%	0.692	44%	0.441	S	S	*	.	H	α-helix	trans	-66.7	-36.9	178.3	-67.5	-171	167	0	0	112.9	G430 F435 K436 V676	G430-E432 PolarHBondContact O-N 3.15Å; G430-E432 VanDerWaalsContact O-N 3.12Å; E432-F435 PolarHBondContact O-N 3.43Å; E432-K436 WeakPolarHBondContact O-CB 3.31Å; E432-K436 PolarHBondContact O-N 3.29Å; E432-V676 HydrophobicContact CG-CG2 4.28Å
433	E	88.1	Confident	77.1	Confident	99 Å²	99	88.1 Å²	88.1	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-70.7	-39.7	179	-64	-172.1	138.1	0	0	111.3	V429 G430 K436 K437	V429-E433 VanDerWaalsContact CA-OE2 3.24Å; V429-E433 WeakPolarHBondContact CA-OE2 3.18Å; V429-E433 HydrophobicContact CG1-CB 3.85Å; G430-E433 PolarHBondContact N-OE2 2.83Å; G430-E433 VanDerWaalsContact N-OE2 3.16Å; G430-E433 WeakPolarHBondContact O-CB 3.45Å; G430-E433 PolarHBondContact O-N 3.49Å; E433-K436 WeakPolarHBondContact O-CB 3.31Å; E433-K436 PolarHBondContact O-N 2.85Å; E433-K437 PolarHBondContact O-N 3.08Å
434	E	90.8	Very high	78.8	Confident	11 Å²	11	81.7 Å²	81.7	5%	0.051	42%	0.416	C	S	.	.	H	α-helix	trans	-59.6	-49.9	172.2	-171	166.2	124.6	0	0	110.3	V429 G430 K436 K437 F659 Y679 Y683	V429-E434 HydrophobicContact CG1-CB 3.63Å; V429-E434 VanDerWaalsContact CG1-N 3.3Å; G430-E434 PolarHBondContact O-N 2.92Å; E434-K436 VanDerWaalsContact C-N 3.3Å; E434-K436 PolarHBondContact O-N 2.83Å; E434-K437 WeakPolarHBondContact O-CB 3.42Å; E434-K437 PolarHBondContact O-N 2.84Å; E434-F659 HydrophobicContact CG-CD2 3.48Å; E434-F659 VanDerWaalsContact CG-CD2 3.48Å; E434-F659 HydrophobicContact CG-CE2 4.02Å; E434-F659 HydrophobicContact CG-CG 4.41Å; E434-F659 WeakPolarHBondContact O-CE2 3.15Å; E434-Y679 HydrophobicContact CB-CE1 4.39Å; E434-Y679 HydrophobicContact CG-CE1 3.99Å; E434-Y679 WeakPolarHBondContact OE1-CE1 3.26Å; E434-Y679 VanDerWaalsContact OE1-CZ 3.29Å; E434-Y679 PolarHBondContact OE1-OH 3.29Å; E434-Y683 PolarHBondContact OE1-OH 2.99Å
435	F	93.4	Very high	80.8	Confident	19 Å²	19	86.2 Å²	86.2	8%	0.083	42%	0.423	C	S	.	.	H	α-helix	trans	-64.8	-34.3	177.7	-170.4	-108	0	0	0	112.7	L431 E432 K437 L438 T439 R666 V676 Y679	L431-F435 WeakPolarHBondContact O-CB 3.38Å; L431-F435 PolarHBondContact O-N 2.74Å; E432-F435 PolarHBondContact O-N 3.43Å; F435-K437 VanDerWaalsContact C-N 3.28Å; F435-K437 PolarHBondContact O-N 3.03Å; F435-L438 HydrophobicContact CD2-CD1 4.14Å; F435-L438 WeakPolarHBondContact O-CA 3.44Å; F435-L438 WeakPolarHBondContact O-CB 3.29Å; F435-L438 PolarHBondContact O-N 2.92Å; F435-T439 HydrophobicContact CD1-CG2 3.98Å; F435-T439 HydrophobicContact CE1-CG2 3.62Å; F435-T439 HydrophobicContact CZ-CG2 4.13Å; F435-T439 PolarHBondContact O-N 3.21Å; F435-R666 VanDerWaalsContact CE2-NH2 3.28Å; F435-V676 HydrophobicContact CB-CB 4.48Å; F435-V676 HydrophobicContact CB-CG2 4.14Å; F435-V676 HydrophobicContact CD1-CB 3.84Å; F435-V676 HydrophobicContact CD1-CG2 4.41Å; F435-V676 HydrophobicContact CE1-CB 4.29Å; F435-V676 HydrophobicContact CG-CB 4.16Å; F435-V676 HydrophobicContact CG-CG2 4.33Å; F435-Y679 HydrophobicContact CB-CD1 4.2Å; F435-Y679 HydrophobicContact CD2-CD1 4.1Å; F435-Y679 HydrophobicContact CD2-CD2 4.04Å; F435-Y679 AromaticContact CD2-CG 3.64Å; F435-Y679 HydrophobicContact CD2-CG 3.64Å; F435-Y679 HydrophobicContact CE2-CG 4.31Å
436	K	92.6	Very high	83	Confident	130 Å²	130	80.9 Å²	80.9	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-60.2	-38.5	176.5	-174.9	179.1	-179.8	-178	0	111.7	E432 E433 E434 L438 T439 N440	E432-K436 WeakPolarHBondContact O-CB 3.31Å; E432-K436 PolarHBondContact O-N 3.29Å; E433-K436 WeakPolarHBondContact O-CB 3.31Å; E433-K436 PolarHBondContact O-N 2.85Å; E434-K436 VanDerWaalsContact C-N 3.3Å; E434-K436 PolarHBondContact O-N 2.83Å; K436-L438 VanDerWaalsContact C-N 3.29Å; K436-L438 PolarHBondContact O-N 3.12Å; K436-T439 VanDerWaalsContact CA-OG1 3.29Å; K436-T439 WeakPolarHBondContact CA-OG1 3.32Å; K436-T439 PolarHBondContact O-N 3.35Å; K436-T439 VanDerWaalsContact O-N 3.16Å; K436-T439 PolarHBondContact O-OG1 3.16Å; K436-N440 VanDerWaalsContact O-CG 3.24Å; K436-N440 PolarHBondContact O-N 3.29Å
437	K	91.8	Very high	84.9	Confident	71 Å²	71	79.9 Å²	79.9	31%	0.309	37%	0.371	S	S	.	.	H	α-helix	trans	-59.2	-40.4	173.4	-66.9	178.9	-175	-174.2	0	111.6	Y402 E433 E434 F435 N440 F659	Y402-K437 HydrophobicContact CD1-CD 4.3Å; Y402-K437 HydrophobicContact CE1-CB 4.19Å; E433-K437 PolarHBondContact O-N 3.08Å; E434-K437 WeakPolarHBondContact O-CB 3.42Å; E434-K437 PolarHBondContact O-N 2.84Å; F435-K437 VanDerWaalsContact C-N 3.28Å; F435-K437 PolarHBondContact O-N 3.03Å; K437-N440 PolarHBondContact O-N 3.36Å; K437-F659 HydrophobicContact CB-CE2 3.99Å; K437-F659 HydrophobicContact CB-CZ 4.05Å
438	L	92.8	Very high	87.2	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-36.2	175.9	-62	170.4	0	0	0	112.1	F435 K436 N440 M441 F659 V662 K663 R666 Y679	F435-L438 HydrophobicContact CD2-CD1 4.14Å; F435-L438 WeakPolarHBondContact O-CA 3.44Å; F435-L438 WeakPolarHBondContact O-CB 3.29Å; F435-L438 PolarHBondContact O-N 2.92Å; K436-L438 VanDerWaalsContact C-N 3.29Å; K436-L438 PolarHBondContact O-N 3.12Å; L438-N440 VanDerWaalsContact C-N 3.35Å; L438-M441 HydrophobicContact CD2-SD 4.18Å; L438-M441 WeakPolarHBondContact O-CB 3.32Å; L438-M441 WeakPolarHBondContact O-CG 3.42Å; L438-M441 PolarHBondContact O-N 3.11Å; L438-F659 HydrophobicContact CD1-CD2 4.14Å; L438-F659 HydrophobicContact CD1-CE2 4.26Å; L438-F659 HydrophobicContact CD2-CD2 3.94Å; L438-F659 HydrophobicContact CD2-CE1 4.4Å; L438-F659 HydrophobicContact CD2-CE2 3.6Å; L438-F659 HydrophobicContact CD2-CZ 3.83Å; L438-F659 HydrophobicContact CG-CD2 3.95Å; L438-F659 HydrophobicContact CG-CE2 3.58Å; L438-F659 HydrophobicContact CG-CZ 4.25Å; L438-V662 HydrophobicContact CD1-CB 4.09Å; L438-V662 HydrophobicContact CD1-CG1 3.78Å; L438-K663 HydrophobicContact CD2-CB 3.68Å; L438-K663 HydrophobicContact CD2-CG 4.42Å; L438-R666 PolarHBondContact O-NH1 3.18Å; L438-Y679 HydrophobicContact CD1-CD2 4Å; L438-Y679 HydrophobicContact CD1-CE2 3.53Å
439	T	90.9	Very high	89.2	Confident	72 Å²	72	73.1 Å²	73.1	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-73.6	-25.5	178.1	55.4	0	0	0	0	113.6	F435 K436 M441 R666	F435-T439 HydrophobicContact CD1-CG2 3.98Å; F435-T439 HydrophobicContact CE1-CG2 3.62Å; F435-T439 HydrophobicContact CZ-CG2 4.13Å; F435-T439 PolarHBondContact O-N 3.21Å; K436-T439 VanDerWaalsContact CA-OG1 3.29Å; K436-T439 WeakPolarHBondContact CA-OG1 3.32Å; K436-T439 PolarHBondContact O-N 3.35Å; K436-T439 VanDerWaalsContact O-N 3.16Å; K436-T439 PolarHBondContact O-OG1 3.16Å; T439-M441 PolarHBondContact O-N 3.21Å; T439-R666 VanDerWaalsContact CA-NH1 3.33Å
440	N	88.8	Confident	90.9	Very high	120 Å²	120	72.3 Å²	72.3	64%	0.642	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-8	176.2	-70.4	-11.3	0	0	0	113.1	K436 K437 L438 R442	K436-N440 VanDerWaalsContact O-CG 3.24Å; K436-N440 PolarHBondContact O-N 3.29Å; K437-N440 PolarHBondContact O-N 3.36Å; L438-N440 VanDerWaalsContact C-N 3.35Å; N440-R442 PolarHBondContact O-N 3.41Å
441	M	87.4	Confident	91.6	Very high	38 Å²	38	71.9 Å²	71.9	19%	0.187	33%	0.329	C	S	.	.	S	Bend	trans	-60.2	130.5	175.4	-67.1	177.9	66.6	0	0	111.3	L438 T439 I443 K663 R666 M667	L438-M441 HydrophobicContact CD2-SD 4.18Å; L438-M441 WeakPolarHBondContact O-CB 3.32Å; L438-M441 WeakPolarHBondContact O-CG 3.42Å; L438-M441 PolarHBondContact O-N 3.11Å; T439-M441 PolarHBondContact O-N 3.21Å; M441-I443 PolarHBondContact O-N 2.84Å; M441-K663 HydrophobicContact CE-CD 4.44Å; M441-K663 HydrophobicContact CE-CG 3.65Å; M441-K663 HydrophobicContact SD-CB 4.32Å; M441-K663 HydrophobicContact SD-CD 4.3Å; M441-K663 HydrophobicContact SD-CG 3.72Å; M441-R666 HydrophobicContact CE-CB 4.24Å; M441-R666 HydrophobicContact SD-CB 4.25Å; M441-M667 HydrophobicContact CE-CG 3.72Å
442	R	87.4	Confident	92	Very high	190 Å²	190	74.3 Å²	74.3	72%	0.717	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-67	126.9	176.9	177.3	179.5	165.1	-172.1	-7.1	111	N440 E446	N440-R442 PolarHBondContact O-N 3.41Å; R442-E446 IonicContact CZ-OE1 3.6Å; R442-E446 VanDerWaalsContact NH2-CD 3.35Å; R442-E446 IonicContact NH2-OE1 2.65Å; R442-E446 PolarHBondContact NH2-OE1 3.14Å; R442-E446 IonicContact NH2-OE2 3.15Å; R442-E446 PolarHBondContact NH2-OE2 3.28Å
443	I	91.5	Very high	92.3	Very high	52 Å²	52	70.3 Å²	70.3	27%	0.267	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-77.2	128.6	166.7	-62.9	171.6	0	0	0	109.2	M441 K445 M448 Y468 P670 H671	M441-I443 PolarHBondContact O-N 2.84Å; I443-K445 VanDerWaalsContact C-N 3.29Å; I443-K445 HydrophobicContact CG2-CG 4.35Å; I443-K445 PolarHBondContact O-N 2.81Å; I443-M448 HydrophobicContact CG2-CE 4.48Å; I443-M448 HydrophobicContact CG2-SD 3.58Å; I443-M448 VanDerWaalsContact CG2-SD 3.58Å; I443-Y468 HydrophobicContact CG2-CE1 4.26Å; I443-P670 HydrophobicContact CG2-CG 4.29Å; I443-H671 WeakPolarHBondContact CD1-NE2 3.48Å
444	M	90.1	Very high	92.6	Very high	49 Å²	49	70.9 Å²	70.9	24%	0.241	34%	0.338	C	S	.	.			trans	-80.7	70.6	-178.5	-58	179	81	0	0	111.3	F313 E446 N447 Y468	F313-M444 HydrophobicContact CE2-CE 4.24Å; F313-M444 HydrophobicContact CE2-SD 4.21Å; F313-M444 HydrophobicContact CZ-CE 4.3Å; F313-M444 HydrophobicContact CZ-SD 3.68Å; M444-E446 PolarHBondContact O-N 3.33Å; M444-E446 VanDerWaalsContact O-N 3.12Å; M444-N447 HydrophobicContact CB-CB 4.19Å; M444-N447 WeakPolarHBondContact CE-ND2 3.36Å; M444-N447 WeakPolarHBondContact O-CB 3.49Å; M444-N447 PolarHBondContact O-N 3.36Å; M444-Y468 HydrophobicContact CB-CD1 4.29Å; M444-Y468 HydrophobicContact CB-CE1 3.79Å; M444-Y468 PolarHBondContact N-OH 2.97Å
445	K	91.5	Very high	92.8	Very high	160 Å²	160	72.4 Å²	72.4	70%	0.696	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.3	-32.2	-177.9	-66	-176.6	-180	179.2	0	112.8	I443 N447 M448	I443-K445 VanDerWaalsContact C-N 3.29Å; I443-K445 HydrophobicContact CG2-CG 4.35Å; I443-K445 PolarHBondContact O-N 2.81Å; K445-N447 PolarHBondContact O-N 2.82Å; K445-M448 PolarHBondContact O-N 2.84Å; K445-M448 VanDerWaalsContact O-N 3.09Å
446	E	91.1	Very high	92.9	Very high	71 Å²	71	71.5 Å²	71.5	33%	0.332	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-60	-23.4	175.4	60.4	-89.8	-151.5	0	0	114.1	R442 M444 R449	R442-E446 IonicContact CZ-OE1 3.6Å; R442-E446 VanDerWaalsContact NH2-CD 3.35Å; R442-E446 IonicContact NH2-OE1 2.65Å; R442-E446 PolarHBondContact NH2-OE1 3.14Å; R442-E446 IonicContact NH2-OE2 3.15Å; R442-E446 PolarHBondContact NH2-OE2 3.28Å; M444-E446 PolarHBondContact O-N 3.33Å; M444-E446 VanDerWaalsContact O-N 3.12Å; E446-R449 WeakPolarHBondContact O-CG 3.34Å; E446-R449 PolarHBondContact O-NE 2.8Å
447	N	92.9	Very high	93.1	Very high	47 Å²	47	69 Å²	69	25%	0.251	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-101.7	19.2	177.8	-71.2	-10	0	0	0	112	M444 K445 Y468 D469	M444-N447 HydrophobicContact CB-CB 4.19Å; M444-N447 WeakPolarHBondContact CE-ND2 3.36Å; M444-N447 WeakPolarHBondContact O-CB 3.49Å; M444-N447 PolarHBondContact O-N 3.36Å; K445-N447 PolarHBondContact O-N 2.82Å; N447-Y468 HydrophobicContact CB-CD1 4.1Å; N447-Y468 CarbonylContact O-C 3.56Å; N447-Y468 WeakPolarHBondContact O-CA 3.24Å; N447-D469 PolarHBondContact O-N 3.46Å
448	M	96.3	Very high	93.3	Very high	9 Å²	9	72.6 Å²	72.6	4%	0.044	36%	0.355	C	S	.	.			trans	-118.1	34.3	179.5	-61.1	168.4	70.8	0	0	110.8	I443 K445 N452 I466 Y468 P670	I443-M448 HydrophobicContact CG2-CE 4.48Å; I443-M448 HydrophobicContact CG2-SD 3.58Å; I443-M448 VanDerWaalsContact CG2-SD 3.58Å; K445-M448 PolarHBondContact O-N 2.84Å; K445-M448 VanDerWaalsContact O-N 3.09Å; M448-N452 WeakPolarHBondContact O-CB 3.49Å; M448-N452 PolarHBondContact O-ND2 2.8Å; M448-I466 HydrophobicContact CB-CD1 3.84Å; M448-I466 HydrophobicContact CB-CG1 4.14Å; M448-I466 HydrophobicContact CE-CB 4.48Å; M448-I466 HydrophobicContact CE-CD1 3.92Å; M448-I466 HydrophobicContact CE-CG1 3.21Å; M448-I466 HydrophobicContact CG-CG1 4.45Å; M448-Y468 HydrophobicContact CG-CD1 3.51Å; M448-Y468 HydrophobicContact CG-CE1 3.76Å; M448-Y468 HydrophobicContact SD-CD1 4.18Å; M448-Y468 HydrophobicContact SD-CE1 3.79Å; M448-P670 HydrophobicContact CE-CG 3.95Å; M448-P670 HydrophobicContact SD-CG 4.28Å
449	R	95.9	Very high	93.6	Very high	176 Å²	176	73.8 Å²	73.8	66%	0.664	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-45.2	-168.7	-58.3	-178.5	-173.8	-167	-0.7	111.8	E446 G451 N452 L453 D469	E446-R449 WeakPolarHBondContact O-CG 3.34Å; E446-R449 PolarHBondContact O-NE 2.8Å; R449-G451 PolarHBondContact O-N 2.82Å; R449-N452 PolarHBondContact O-N 2.9Å; R449-N452 VanDerWaalsContact O-N 3.12Å; R449-L453 PolarHBondContact O-N 2.84Å; R449-D469 WeakPolarHBondContact CB-OD2 3.05Å; R449-D469 PolarHBondContact N-OD1 3.22Å; R449-D469 PolarHBondContact N-OD2 2.82Å
450	T	96.3	Very high	93.9	Very high	25 Å²	25	71 Å²	71	15%	0.153	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-44.1	-173.9	-50.1	0	0	0	0	111.6	N452 L453 N456 D469 Y486	T450-N452 VanDerWaalsContact C-N 3.25Å; T450-N452 PolarHBondContact O-N 2.82Å; T450-L453 HydrophobicContact CG2-CD1 4.48Å; T450-L453 WeakPolarHBondContact O-CB 3.36Å; T450-L453 WeakPolarHBondContact O-CG 3.33Å; T450-L453 PolarHBondContact O-N 2.97Å; T450-N456 PolarHBondContact O-ND2 3.09Å; T450-D469 WeakPolarHBondContact CB-OD1 3.49Å; T450-D469 PolarHBondContact N-OD1 3.4Å; T450-D469 PolarHBondContact OG1-OD1 3.08Å; T450-Y486 HydrophobicContact CG2-CD2 3.87Å
451	G	96.1	Very high	94.3	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.4	177.8	0	0	0	0	0	113.9	R449 N460 Y486	R449-G451 PolarHBondContact O-N 2.82Å; G451-N460 PolarHBondContact O-ND2 2.84Å; G451-Y486 VanDerWaalsContact CA-CE2 3.45Å; G451-Y486 VanDerWaalsContact CA-CZ 3.5Å; G451-Y486 WeakPolarHBondContact CA-OH 3.21Å
452	N	96.6	Very high	94.8	Very high	73 Å²	73	68.6 Å²	68.6	39%	0.39	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.2	176.9	-80.1	-46.8	0	0	0	114	M448 R449 T450 I466	M448-N452 WeakPolarHBondContact O-CB 3.49Å; M448-N452 PolarHBondContact O-ND2 2.8Å; R449-N452 PolarHBondContact O-N 2.9Å; R449-N452 VanDerWaalsContact O-N 3.12Å; T450-N452 VanDerWaalsContact C-N 3.25Å; T450-N452 PolarHBondContact O-N 2.82Å; N452-I466 HydrophobicContact CB-CD1 4.48Å; N452-I466 WeakPolarHBondContact ND2-CD1 3.22Å
453	L	95.9	Very high	95.1	Very high	64 Å²	64	63.9 Å²	63.9	34%	0.335	32%	0.316	S	S	.	.	S	Bend	trans	-61.4	138.6	173.3	-68.2	174.3	0	0	0	110	R449 T450 A455 N456 M457 F483	R449-L453 PolarHBondContact O-N 2.84Å; T450-L453 HydrophobicContact CG2-CD1 4.48Å; T450-L453 WeakPolarHBondContact O-CB 3.36Å; T450-L453 WeakPolarHBondContact O-CG 3.33Å; T450-L453 PolarHBondContact O-N 2.97Å; L453-A455 PolarHBondContact O-N 2.9Å; L453-N456 HydrophobicContact CB-CB 4.42Å; L453-N456 WeakPolarHBondContact O-CA 3.3Å; L453-N456 PolarHBondContact O-N 2.94Å; L453-M457 PolarHBondContact O-N 3.09Å; L453-F483 HydrophobicContact CD1-CD1 3.99Å; L453-F483 HydrophobicContact CD1-CE1 4.14Å
454	P	95.5	Very high	95.2	Very high	111 Å²	111	68.1 Å²	68.1	72%	0.721	34%	0.335	S	S	*	.	H	α-helix	trans	-52.5	-35.8	-178.1	-29.7	35.5	0	0	0	114.2	N456	P454-N456 VanDerWaalsContact C-N 3.28Å; P454-N456 PolarHBondContact O-N 2.91Å
455	A	93.7	Very high	95.6	Very high	42 Å²	42	66 Å²	66	35%	0.347	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-29.7	176.6	0	0	0	0	0	113.6	L453 F483	L453-A455 PolarHBondContact O-N 2.9Å; A455-F483 HydrophobicContact CB-CB 3.93Å; A455-F483 HydrophobicContact CB-CD2 4.09Å; A455-F483 HydrophobicContact CB-CG 3.98Å
456	N	96.7	Very high	95.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-97.9	-21.2	-174.4	-70.4	-23.6	0	0	0	113.5	T450 L453 P454 K458 K459 N460 Y486	T450-N456 PolarHBondContact O-ND2 3.09Å; L453-N456 HydrophobicContact CB-CB 4.42Å; L453-N456 WeakPolarHBondContact O-CA 3.3Å; L453-N456 PolarHBondContact O-N 2.94Å; P454-N456 VanDerWaalsContact C-N 3.28Å; P454-N456 PolarHBondContact O-N 2.91Å; N456-K458 PolarHBondContact O-N 3.47Å; N456-K458 VanDerWaalsContact O-N 3.15Å; N456-K459 WeakPolarHBondContact O-CA 3.48Å; N456-K459 VanDerWaalsContact O-CB 3.29Å; N456-K459 WeakPolarHBondContact O-CB 3.49Å; N456-K459 PolarHBondContact O-N 2.76Å; N456-N460 PolarHBondContact O-ND2 2.8Å; N456-Y486 HydrophobicContact CB-CD1 3.59Å; N456-Y486 HydrophobicContact CB-CE1 3.86Å; N456-Y486 HydrophobicContact CB-CG 4.05Å; N456-Y486 VanDerWaalsContact CG-CD1 3.47Å; N456-Y486 WeakPolarHBondContact ND2-CB 3.49Å; N456-Y486 WeakPolarHBondContact OD1-CB 3.41Å
457	M	96.4	Very high	96.2	Very high	77 Å²	77	55 Å²	55	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-53.3	-40.2	-178.1	-72.4	-178.2	72.9	0	0	112.9	L453 K459 N460 L463	L453-M457 PolarHBondContact O-N 3.09Å; M457-K459 PolarHBondContact O-N 2.79Å; M457-N460 WeakPolarHBondContact O-CB 3.44Å; M457-N460 PolarHBondContact O-N 2.84Å; M457-N460 VanDerWaalsContact O-N 3.14Å; M457-L463 HydrophobicContact CB-CD2 4.44Å; M457-L463 HydrophobicContact CE-CD1 4.12Å; M457-L463 HydrophobicContact CE-CD2 4.07Å
458	K	96.4	Very high	96.5	Very high	147 Å²	147	53 Å²	53	64%	0.639	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.5	176.9	66.4	179.1	178.1	179.2	0	114.1	N456 N460 H510	N456-K458 PolarHBondContact O-N 3.47Å; N456-K458 VanDerWaalsContact O-N 3.15Å; K458-N460 VanDerWaalsContact C-N 3.27Å; K458-H510 PolarHBondContact O-CE1 3.15Å; K458-H510 PolarHBondContact O-NE2 3.45Å
459	K	97.6	Very high	96.5	Very high	26 Å²	26	54.6 Å²	54.6	11%	0.113	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.5	177.5	-60.8	-178.6	167.7	-159.6	0	112	N456 M457 Y486 Q505 T511 D514	N456-K459 WeakPolarHBondContact O-CA 3.48Å; N456-K459 VanDerWaalsContact O-CB 3.29Å; N456-K459 WeakPolarHBondContact O-CB 3.49Å; N456-K459 PolarHBondContact O-N 2.76Å; M457-K459 PolarHBondContact O-N 2.79Å; K459-Y486 HydrophobicContact CB-CD1 4.24Å; K459-Y486 HydrophobicContact CB-CE1 4.09Å; K459-Y486 HydrophobicContact CD-CD1 3.93Å; K459-Y486 PolarHBondContact NZ-O 3.48Å; K459-Q505 PolarHBondContact O-NE2 2.81Å; K459-T511 HydrophobicContact CB-CG2 4.02Å; K459-T511 HydrophobicContact CG-CG2 4.09Å; K459-D514 WeakPolarHBondContact CE-OD2 3.49Å; K459-D514 IonicContact NZ-OD2 2.8Å; K459-D514 PolarHBondContact NZ-OD2 2.93Å
460	N	98.1	Very high	96.4	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.07	26%	0.262	C	S	.	.			trans	-103.6	126.1	-177.9	-54.6	-38.5	0	0	0	110.7	G451 N456 M457 K458 L463 I466 Y486 N488	G451-N460 PolarHBondContact O-ND2 2.84Å; N456-N460 PolarHBondContact O-ND2 2.8Å; M457-N460 WeakPolarHBondContact O-CB 3.44Å; M457-N460 PolarHBondContact O-N 2.84Å; M457-N460 VanDerWaalsContact O-N 3.14Å; K458-N460 VanDerWaalsContact C-N 3.27Å; N460-L463 HydrophobicContact CB-CD2 4.35Å; N460-I466 HydrophobicContact CB-CG2 3.95Å; N460-I466 VanDerWaalsContact CG-CG2 3.49Å; N460-Y486 VanDerWaalsContact OD1-CE1 3.32Å; N460-Y486 WeakPolarHBondContact OD1-CE1 3.47Å; N460-Y486 PolarHBondContact OD1-OH 2.76Å; N460-N488 PolarHBondContact OD1-ND2 2.75Å
461	R	97.6	Very high	96.4	Very high	58 Å²	58	50.5 Å²	50.5	22%	0.219	26%	0.259	C	S	.	.	S	Bend	trans	-69.8	-37.3	173.4	-173.9	179.6	-71.1	-87.1	-0.3	111.9	G506 P507 L508 D539 K540 S631	R461-G506 PolarHBondContact NE-O 2.82Å; R461-G506 PolarHBondContact NH2-O 3.39Å; R461-P507 PolarHBondContact NH2-O 3.08Å; R461-L508 HydrophobicContact CB-CD2 4.32Å; R461-L508 HydrophobicContact CG-CD2 4.47Å; R461-D539 PolarHBondContact NH1-O 3.45Å; R461-K540 PolarHBondContact NE-O 3.21Å; R461-K540 PolarHBondContact NH1-O 3.35Å; R461-K540 PolarHBondContact NH2-O 3.44Å; R461-S631 WeakPolarHBondContact CD-O 3.13Å; R461-S631 WeakPolarHBondContact CD-OG 3.38Å
462	V	97.2	Very high	96.5	Very high	51 Å²	51	52.2 Å²	52.2	31%	0.309	27%	0.266	S	S	.	.			trans	-134.6	119.7	178.8	-178.8	0	0	0	0	109.3	Q464 I465 A632	V462-Q464 VanDerWaalsContact C-N 3.25Å; V462-Q464 HydrophobicContact CG1-CB 4.39Å; V462-Q464 PolarHBondContact O-N 2.8Å; V462-I465 HydrophobicContact CB-CB 4.18Å; V462-I465 HydrophobicContact CB-CD1 4.26Å; V462-I465 HydrophobicContact CB-CG1 4.31Å; V462-I465 HydrophobicContact CG1-CB 4.26Å; V462-I465 HydrophobicContact CG1-CD1 3.95Å; V462-I465 HydrophobicContact CG1-CG1 3.91Å; V462-I465 CarbonylContact O-C 3.46Å; V462-I465 PolarHBondContact O-N 2.86Å; V462-A632 HydrophobicContact CB-CB 4.43Å; V462-A632 HydrophobicContact CG2-CB 3.87Å
463	L	93.9	Very high	96.6	Very high	90 Å²	90	48.7 Å²	48.7	47%	0.471	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.9	-174.1	-64.3	177	0	0	0	114.1	M457 N460 I465	M457-L463 HydrophobicContact CB-CD2 4.44Å; M457-L463 HydrophobicContact CE-CD1 4.12Å; M457-L463 HydrophobicContact CE-CD2 4.07Å; N460-L463 HydrophobicContact CB-CD2 4.35Å; L463-I465 VanDerWaalsContact C-N 3.3Å
464	Q	94.1	Very high	96.6	Very high	142 Å²	142	49.7 Å²	49.7	66%	0.664	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.9	176.4	-64.2	173.4	-3.6	0	0	112.7	V462	V462-Q464 VanDerWaalsContact C-N 3.25Å; V462-Q464 HydrophobicContact CG1-CB 4.39Å; V462-Q464 PolarHBondContact O-N 2.8Å
465	I	97.2	Very high	96.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	-121.6	77.9	-176	-53.6	173.7	0	0	0	108.1	V462 L463 N488 A632 A634	V462-I465 HydrophobicContact CB-CB 4.18Å; V462-I465 HydrophobicContact CB-CD1 4.26Å; V462-I465 HydrophobicContact CB-CG1 4.31Å; V462-I465 HydrophobicContact CG1-CB 4.26Å; V462-I465 HydrophobicContact CG1-CD1 3.95Å; V462-I465 HydrophobicContact CG1-CG1 3.91Å; V462-I465 CarbonylContact O-C 3.46Å; V462-I465 PolarHBondContact O-N 2.86Å; L463-I465 VanDerWaalsContact C-N 3.3Å; I465-N488 PolarHBondContact O-ND2 3.03Å; I465-A632 HydrophobicContact CD1-CB 3.66Å; I465-A632 HydrophobicContact CG2-CB 4.44Å; I465-A632 WeakPolarHBondContact CG2-O 3.22Å; I465-A634 HydrophobicContact CD1-CB 4.1Å; I465-A634 HydrophobicContact CG2-CB 3.75Å
466	I	98.1	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.			trans	-125.9	155.3	175.9	61.2	172.1	0	0	0	108.7	M448 N452 N460 P670	M448-I466 HydrophobicContact CB-CD1 3.84Å; M448-I466 HydrophobicContact CB-CG1 4.14Å; M448-I466 HydrophobicContact CE-CB 4.48Å; M448-I466 HydrophobicContact CE-CD1 3.92Å; M448-I466 HydrophobicContact CE-CG1 3.21Å; M448-I466 HydrophobicContact CG-CG1 4.45Å; N452-I466 HydrophobicContact CB-CD1 4.48Å; N452-I466 WeakPolarHBondContact ND2-CD1 3.22Å; N460-I466 HydrophobicContact CB-CG2 3.95Å; N460-I466 VanDerWaalsContact CG-CG2 3.49Å; I466-P670 WeakPolarHBondContact O-CD 3.49Å
467	P	98.3	Very high	96.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.26	C	S	.	.			trans	-66.8	152.3	-176.9	30	-37.5	0	0	0	111.5	R472 Y486 N488 A489 S490	P467-R472 HydrophobicContact CB-CB 3.87Å; P467-R472 HydrophobicContact CG-CB 3.96Å; P467-Y486 HydrophobicContact CG-CE2 3.95Å; P467-N488 WeakPolarHBondContact CD-OD1 3.43Å; P467-A489 WeakPolarHBondContact CB-O 3.43Å; P467-S490 WeakPolarHBondContact CA-OG 3.43Å; P467-S490 WeakPolarHBondContact CB-OG 3.34Å
468	Y	97.9	Very high	95.7	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.02	25%	0.254	C	S	.	.			trans	-72.4	148.5	163.4	-62.8	-57.8	0	0	0	110.3	I443 M444 N447 M448 F470 N471 R472 M667 Q668 P670	I443-Y468 HydrophobicContact CG2-CE1 4.26Å; M444-Y468 HydrophobicContact CB-CD1 4.29Å; M444-Y468 HydrophobicContact CB-CE1 3.79Å; M444-Y468 PolarHBondContact N-OH 2.97Å; N447-Y468 HydrophobicContact CB-CD1 4.1Å; N447-Y468 CarbonylContact O-C 3.56Å; N447-Y468 WeakPolarHBondContact O-CA 3.24Å; M448-Y468 HydrophobicContact CG-CD1 3.51Å; M448-Y468 HydrophobicContact CG-CE1 3.76Å; M448-Y468 HydrophobicContact SD-CD1 4.18Å; M448-Y468 HydrophobicContact SD-CE1 3.79Å; Y468-F470 VanDerWaalsContact C-N 3.26Å; Y468-F470 AromaticContact CD2-CE1 3.78Å; Y468-F470 HydrophobicContact CD2-CE1 3.78Å; Y468-F470 AromaticContact CD2-CZ 3.89Å; Y468-F470 HydrophobicContact CD2-CZ 3.89Å; Y468-F470 HydrophobicContact CG-CD1 4.44Å; Y468-F470 AromaticContact CG-CE1 3.7Å; Y468-F470 HydrophobicContact CG-CE1 3.7Å; Y468-F470 HydrophobicContact CG-CZ 4.24Å; Y468-F470 PolarHBondContact O-N 2.85Å; Y468-N471 PolarHBondContact O-N 3.38Å; Y468-N471 PolarHBondContact O-OD1 2.84Å; Y468-R472 WeakPolarHBondContact O-CB 3.44Å; Y468-R472 PolarHBondContact O-N 3.46Å; Y468-M667 WeakPolarHBondContact CD2-O 3.4Å; Y468-M667 VanDerWaalsContact CE2-O 3.31Å; Y468-M667 WeakPolarHBondContact CE2-O 3.45Å; Y468-Q668 WeakPolarHBondContact CD2-O 3.29Å; Y468-P670 HydrophobicContact CE1-CG 4Å; Y468-P670 HydrophobicContact CE2-CG 4.15Å
469	D	96.4	Very high	95	Very high	42 Å²	42	57.4 Å²	57.4	23%	0.225	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.2	-174.1	-69.7	-43.5	0	0	0	112.1	N447 R449 T450	N447-D469 PolarHBondContact O-N 3.46Å; R449-D469 WeakPolarHBondContact CB-OD2 3.05Å; R449-D469 PolarHBondContact N-OD1 3.22Å; R449-D469 PolarHBondContact N-OD2 2.82Å; T450-D469 WeakPolarHBondContact CB-OD1 3.49Å; T450-D469 PolarHBondContact N-OD1 3.4Å; T450-D469 PolarHBondContact OG1-OD1 3.08Å
470	F	94.3	Very high	94.1	Very high	98 Å²	98	60.4 Å²	60.4	43%	0.43	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-23.3	-175.7	67.3	-100.3	0	0	0	114.1	F313 Y468	F313-F470 HydrophobicContact CE1-CZ 4.28Å; F313-F470 HydrophobicContact CZ-CE1 4.12Å; F313-F470 HydrophobicContact CZ-CZ 4.07Å; Y468-F470 VanDerWaalsContact C-N 3.26Å; Y468-F470 AromaticContact CD2-CE1 3.78Å; Y468-F470 HydrophobicContact CD2-CE1 3.78Å; Y468-F470 AromaticContact CD2-CZ 3.89Å; Y468-F470 HydrophobicContact CD2-CZ 3.89Å; Y468-F470 HydrophobicContact CG-CD1 4.44Å; Y468-F470 AromaticContact CG-CE1 3.7Å; Y468-F470 HydrophobicContact CG-CE1 3.7Å; Y468-F470 HydrophobicContact CG-CZ 4.24Å; Y468-F470 PolarHBondContact O-N 2.85Å
471	N	96.5	Very high	93.3	Very high	16 Å²	16	64.9 Å²	64.9	9%	0.086	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	16.4	179.9	71.9	-23.4	0	0	0	113	Y468 S490 F491 Q668	Y468-N471 PolarHBondContact O-N 3.38Å; Y468-N471 PolarHBondContact O-OD1 2.84Å; N471-S490 WeakPolarHBondContact O-CA 3.5Å; N471-F491 PolarHBondContact ND2-O 3.24Å; N471-F491 PolarHBondContact O-N 3.45Å; N471-Q668 PolarHBondContact ND2-O 3.23Å; N471-Q668 PolarHBondContact OD1-O 3.03Å
472	R	97.9	Very high	92.5	Very high	36 Å²	36	69.6 Å²	69.6	14%	0.136	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	144.7	173.1	71.1	-179.5	-177	95.6	-8.4	109.6	P467 Y468 I474 D485	P467-R472 HydrophobicContact CB-CB 3.87Å; P467-R472 HydrophobicContact CG-CB 3.96Å; Y468-R472 WeakPolarHBondContact O-CB 3.44Å; Y468-R472 PolarHBondContact O-N 3.46Å; R472-I474 HydrophobicContact CG-CG1 4.05Å; R472-I474 PolarHBondContact O-N 3.31Å; R472-D485 IonicContact CZ-OD2 2.75Å; R472-D485 PolarHBondContact NH1-O 2.91Å; R472-D485 IonicContact NH1-OD2 3.22Å; R472-D485 PolarHBondContact NH1-OD2 3.23Å; R472-D485 IonicContact NH2-OD2 2.99Å; R472-D485 PolarHBondContact NH2-OD2 2.97Å
473	V	98.4	Very high	91.7	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.7	169.5	-174.4	0	0	0	0	108.5	V487 A489 F491 I502 M518 W522	V473-V487 HydrophobicContact CB-CG1 4.17Å; V473-V487 HydrophobicContact CG1-CG1 4.39Å; V473-A489 HydrophobicContact CB-CB 4.02Å; V473-A489 HydrophobicContact CG2-CB 3.75Å; V473-A489 PolarHBondContact N-O 3.45Å; V473-F491 HydrophobicContact CB-CE2 4.22Å; V473-F491 HydrophobicContact CB-CZ 4.5Å; V473-F491 HydrophobicContact CG1-CE2 4.18Å; V473-F491 HydrophobicContact CG1-CZ 4.1Å; V473-F491 HydrophobicContact CG2-CD1 4.42Å; V473-F491 HydrophobicContact CG2-CD2 3.97Å; V473-F491 HydrophobicContact CG2-CE1 4.32Å; V473-F491 HydrophobicContact CG2-CE2 3.86Å; V473-F491 HydrophobicContact CG2-CG 4.25Å; V473-F491 HydrophobicContact CG2-CZ 4.02Å; V473-I502 HydrophobicContact CG2-CD1 4.33Å; V473-I502 HydrophobicContact CG2-CG1 4.22Å; V473-I502 HydrophobicContact CG2-CG2 3.83Å; V473-M518 HydrophobicContact CB-SD 4.37Å; V473-M518 HydrophobicContact CG1-CG 3.7Å; V473-M518 HydrophobicContact CG1-SD 4.08Å; V473-W522 HydrophobicContact CG1-CG 4.24Å
474	I	97.3	Very high	91.6	Very high	84 Å²	84	68 Å²	68	43%	0.431	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.2	-178.9	-51.8	-176	0	0	0	108.3	R472 D485 W522	R472-I474 HydrophobicContact CG-CG1 4.05Å; R472-I474 PolarHBondContact O-N 3.31Å; I474-D485 HydrophobicContact CG2-CB 4.31Å; I474-W522 WeakPolarHBondContact O-CZ2 3.48Å; I474-W522 PolarHBondContact O-NE1 3.32Å; I474-W522 VanDerWaalsContact O-NE1 3.08Å
475	L	96.7	Very high	91.7	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-99.7	152.9	172.1	-55.6	-179.3	0	0	0	110.5	M477 D485 V487 D514 R517 M518	L475-M477 PolarHBondContact O-N 3.24Å; L475-D485 PolarHBondContact N-O 3.41Å; L475-D485 VanDerWaalsContact O-CA 3.31Å; L475-D485 WeakPolarHBondContact O-CA 3.5Å; L475-D485 WeakPolarHBondContact O-CB 2.98Å; L475-V487 HydrophobicContact CD1-CB 3.95Å; L475-V487 HydrophobicContact CD1-CG1 4Å; L475-V487 HydrophobicContact CD2-CG1 4.23Å; L475-V487 HydrophobicContact CG-CB 4.46Å; L475-V487 HydrophobicContact CG-CG1 3.98Å; L475-D514 HydrophobicContact CD1-CB 4.35Å; L475-R517 VanDerWaalsContact CD1-NH2 3.32Å; L475-M518 HydrophobicContact CD2-CB 3.79Å; L475-M518 HydrophobicContact CD2-CG 4.17Å
476	S	92.9	Very high	91.7	Very high	74 Å²	74	62 Å²	62	52%	0.517	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-62	130.1	174.2	-60.7	0	0	0	0	110.3	R478 R517 E521	S476-R478 PolarHBondContact O-N 3.3Å; S476-R517 PolarHBondContact O-NH1 3.32Å; S476-E521 WeakPolarHBondContact CB-OE2 3.34Å; S476-E521 PolarHBondContact N-OE1 3.24Å; S476-E521 PolarHBondContact N-OE2 3.49Å; S476-E521 PolarHBondContact OG-OE2 3.32Å
477	M	89.2	Confident	91.7	Very high	143 Å²	143	62.5 Å²	62.5	70%	0.704	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-64.5	132.3	177.7	-67.7	-173.1	-146.3	0	0	110.6	L475 D485	L475-M477 PolarHBondContact O-N 3.24Å; M477-D485 HydrophobicContact CG-CB 4.03Å
478	R	84.7	Confident	91.7	Very high	65 Å²	65	62.6 Å²	62.6	25%	0.245	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-74.6	137.2	173.5	-65.9	-173.8	179	-157.2	-7.7	110.1	S476 G480 Q481 T484 E513	S476-R478 PolarHBondContact O-N 3.3Å; R478-G480 PolarHBondContact O-N 3.03Å; R478-Q481 HydrophobicContact CB-CB 4.24Å; R478-Q481 PolarHBondContact O-N 3.43Å; R478-Q481 VanDerWaalsContact O-N 3.11Å; R478-T484 HydrophobicContact CB-CG2 4.31Å; R478-T484 PolarHBondContact N-OG1 3.47Å; R478-E513 IonicContact CZ-OE1 2.77Å; R478-E513 IonicContact NH1-OE1 3.83Å; R478-E513 PolarHBondContact NH1-OE1 3.18Å; R478-E513 IonicContact NH1-OE2 2.68Å; R478-E513 VanDerWaalsContact NH2-CD 3.28Å; R478-E513 IonicContact NH2-OE1 3.34Å; R478-E513 PolarHBondContact NH2-OE1 3.29Å
479	R	81.9	Confident	91.8	Very high	253 Å²	253	62.4 Å²	62.4	96%	0.955	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	125	179	-68.3	-175.9	-178.8	-176.1	1.4	110.1	Q481	R479-Q481 VanDerWaalsContact C-N 3.31Å; R479-Q481 PolarHBondContact O-N 3.03Å
480	G	78.2	Confident	91.9	Very high	90 Å²	90	60.4 Å²	60.4	93%	0.928	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	8.3	177.9	0	0	0	0	0	115.6	R478	R478-G480 PolarHBondContact O-N 3.03Å
481	Q	80.3	Confident	92.1	Very high	107 Å²	107	56.5 Å²	56.5	50%	0.5	29%	0.286	S	S	.	.			trans	-127.6	114.9	177.4	-61.6	-177.1	8.6	0	0	111.5	R478 R479 T484	R478-Q481 HydrophobicContact CB-CB 4.24Å; R478-Q481 PolarHBondContact O-N 3.43Å; R478-Q481 VanDerWaalsContact O-N 3.11Å; R479-Q481 VanDerWaalsContact C-N 3.31Å; R479-Q481 PolarHBondContact O-N 3.03Å; Q481-T484 HydrophobicContact CB-CG2 3.51Å; Q481-T484 PolarHBondContact O-OG1 3.21Å; Q481-T484 VanDerWaalsContact O-OG1 3.05Å
482	E	80.9	Confident	92.2	Very high	157 Å²	157	55.7 Å²	55.7	73%	0.734	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	154.6	173.7	-60.7	-174.5	165.5	0	0	111.4	T484	E482-T484 VanDerWaalsContact C-N 3.26Å; E482-T484 PolarHBondContact O-N 2.88Å
483	F	81.5	Confident	92	Very high	94 Å²	94	56.1 Å²	56.1	41%	0.412	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	27	176	-42.9	-73.8	0	0	0	115.1	L453 A455	L453-F483 HydrophobicContact CD1-CD1 3.99Å; L453-F483 HydrophobicContact CD1-CE1 4.14Å; A455-F483 HydrophobicContact CB-CB 3.93Å; A455-F483 HydrophobicContact CB-CD2 4.09Å; A455-F483 HydrophobicContact CB-CG 3.98Å
484	T	91.3	Very high	91.7	Very high	13 Å²	13	56.4 Å²	56.4	8%	0.08	29%	0.289	C	S	.	.			trans	-94.3	3.6	176.5	54.8	0	0	0	0	113.7	R478 Q481 E482 R517	R478-T484 HydrophobicContact CB-CG2 4.31Å; R478-T484 PolarHBondContact N-OG1 3.47Å; Q481-T484 HydrophobicContact CB-CG2 3.51Å; Q481-T484 PolarHBondContact O-OG1 3.21Å; Q481-T484 VanDerWaalsContact O-OG1 3.05Å; E482-T484 VanDerWaalsContact C-N 3.26Å; E482-T484 PolarHBondContact O-N 2.88Å; T484-R517 PolarHBondContact O-NH1 3.4Å; T484-R517 VanDerWaalsContact O-NH1 3.11Å; T484-R517 PolarHBondContact O-NH2 2.95Å
485	D	95.5	Very high	91.3	Very high	20 Å²	20	53.5 Å²	53.5	11%	0.107	27%	0.273	C	S	.	.	S	Bend	trans	-89.3	-1.3	-179.7	72.6	-47.8	0	0	0	113.7	R472 I474 L475 M477	R472-D485 IonicContact CZ-OD2 2.75Å; R472-D485 PolarHBondContact NH1-O 2.91Å; R472-D485 IonicContact NH1-OD2 3.22Å; R472-D485 PolarHBondContact NH1-OD2 3.23Å; R472-D485 IonicContact NH2-OD2 2.99Å; R472-D485 PolarHBondContact NH2-OD2 2.97Å; I474-D485 HydrophobicContact CG2-CB 4.31Å; L475-D485 PolarHBondContact N-O 3.41Å; L475-D485 VanDerWaalsContact O-CA 3.31Å; L475-D485 WeakPolarHBondContact O-CA 3.5Å; L475-D485 WeakPolarHBondContact O-CB 2.98Å; M477-D485 HydrophobicContact CG-CB 4.03Å
486	Y	97.8	Very high	90.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.9	-173.3	179.9	-98.6	0	0	0	113.6	T450 G451 N456 K459 N460 P467	T450-Y486 HydrophobicContact CG2-CD2 3.87Å; G451-Y486 VanDerWaalsContact CA-CE2 3.45Å; G451-Y486 VanDerWaalsContact CA-CZ 3.5Å; G451-Y486 WeakPolarHBondContact CA-OH 3.21Å; N456-Y486 HydrophobicContact CB-CD1 3.59Å; N456-Y486 HydrophobicContact CB-CE1 3.86Å; N456-Y486 HydrophobicContact CB-CG 4.05Å; N456-Y486 VanDerWaalsContact CG-CD1 3.47Å; N456-Y486 WeakPolarHBondContact ND2-CB 3.49Å; N456-Y486 WeakPolarHBondContact OD1-CB 3.41Å; K459-Y486 HydrophobicContact CB-CD1 4.24Å; K459-Y486 HydrophobicContact CB-CE1 4.09Å; K459-Y486 HydrophobicContact CD-CD1 3.93Å; K459-Y486 PolarHBondContact NZ-O 3.48Å; N460-Y486 VanDerWaalsContact OD1-CE1 3.32Å; N460-Y486 WeakPolarHBondContact OD1-CE1 3.47Å; N460-Y486 PolarHBondContact OD1-OH 2.76Å; P467-Y486 HydrophobicContact CG-CE2 3.95Å
487	V	98.4	Very high	90.5	Very high	11 Å²	11	58.8 Å²	58.8	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.2	163.5	59.4	0	0	0	0	108.3	V473 L475 A489 M518	V473-V487 HydrophobicContact CB-CG1 4.17Å; V473-V487 HydrophobicContact CG1-CG1 4.39Å; L475-V487 HydrophobicContact CD1-CB 3.95Å; L475-V487 HydrophobicContact CD1-CG1 4Å; L475-V487 HydrophobicContact CD2-CG1 4.23Å; L475-V487 HydrophobicContact CG-CB 4.46Å; L475-V487 HydrophobicContact CG-CG1 3.98Å; V487-A489 HydrophobicContact CG1-CB 4.15Å; V487-A489 HydrophobicContact CG2-CB 4.48Å; V487-A489 PolarHBondContact O-N 3.23Å; V487-M518 HydrophobicContact CG1-CG 4.28Å; V487-M518 HydrophobicContact CG1-SD 3.89Å; V487-M518 HydrophobicContact CG2-SD 4.2Å
488	N	98.6	Very high	90.5	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	76.8	177.3	-174.2	-18.6	0	0	0	110.6	N460 I465 P467 T504 Q505 R669	N460-N488 PolarHBondContact OD1-ND2 2.75Å; I465-N488 PolarHBondContact O-ND2 3.03Å; P467-N488 WeakPolarHBondContact CD-OD1 3.43Å; N488-T504 PolarHBondContact O-OG1 2.65Å; N488-T504 VanDerWaalsContact O-OG1 3.07Å; N488-Q505 HydrophobicContact CB-CG 4.1Å; N488-Q505 PolarHBondContact ND2-OE1 3.04Å; N488-Q505 PolarHBondContact O-N 2.96Å; N488-R669 PolarHBondContact OD1-NH1 3.47Å; N488-R669 VanDerWaalsContact OD1-NH1 3.07Å; N488-R669 PolarHBondContact OD1-NH2 2.94Å
489	A	98.8	Very high	91	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.5	179.6	0	0	0	0	0	111.2	P467 V473 V487 I502 A503 M518	P467-A489 WeakPolarHBondContact CB-O 3.43Å; V473-A489 HydrophobicContact CB-CB 4.02Å; V473-A489 HydrophobicContact CG2-CB 3.75Å; V473-A489 PolarHBondContact N-O 3.45Å; V487-A489 HydrophobicContact CG1-CB 4.15Å; V487-A489 HydrophobicContact CG2-CB 4.48Å; V487-A489 PolarHBondContact O-N 3.23Å; A489-I502 HydrophobicContact CB-CG2 3.77Å; A489-A503 WeakPolarHBondContact CA-O 3.07Å; A489-M518 HydrophobicContact CB-SD 3.53Å; A489-M518 VanDerWaalsContact CB-SD 3.53Å
490	S	98.8	Very high	91.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.1	178.3	-59.9	0	0	0	0	109.9	P467 N471 I502 A503 R669	P467-S490 WeakPolarHBondContact CA-OG 3.43Å; P467-S490 WeakPolarHBondContact CB-OG 3.34Å; N471-S490 WeakPolarHBondContact O-CA 3.5Å; S490-I502 WeakPolarHBondContact O-CA 3.37Å; S490-A503 PolarHBondContact N-O 2.69Å; S490-A503 PolarHBondContact O-N 2.94Å; S490-R669 PolarHBondContact OG-NH1 3.46Å
491	F	98.6	Very high	92.6	Very high	16 Å²	16	42.1 Å²	42.1	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.9	161.6	-74.4	-66.6	0	0	0	110.2	N471 V473 D499 F501 I502 W522 P625	N471-F491 PolarHBondContact ND2-O 3.24Å; N471-F491 PolarHBondContact O-N 3.45Å; V473-F491 HydrophobicContact CB-CE2 4.22Å; V473-F491 HydrophobicContact CB-CZ 4.5Å; V473-F491 HydrophobicContact CG1-CE2 4.18Å; V473-F491 HydrophobicContact CG1-CZ 4.1Å; V473-F491 HydrophobicContact CG2-CD1 4.42Å; V473-F491 HydrophobicContact CG2-CD2 3.97Å; V473-F491 HydrophobicContact CG2-CE1 4.32Å; V473-F491 HydrophobicContact CG2-CE2 3.86Å; V473-F491 HydrophobicContact CG2-CG 4.25Å; V473-F491 HydrophobicContact CG2-CZ 4.02Å; F491-D499 HydrophobicContact CB-CB 4.15Å; F491-D499 VanDerWaalsContact CB-OD1 3.28Å; F491-D499 WeakPolarHBondContact CB-OD1 3.49Å; F491-D499 HydrophobicContact CD1-CB 3.68Å; F491-D499 HydrophobicContact CE1-CB 4.33Å; F491-D499 HydrophobicContact CG-CB 4.03Å; F491-F501 WeakPolarHBondContact CA-O 3.39Å; F491-I502 HydrophobicContact CD1-CD1 4.46Å; F491-I502 HydrophobicContact CD1-CG1 3.82Å; F491-I502 HydrophobicContact CE1-CD1 3.8Å; F491-I502 HydrophobicContact CE1-CG1 3.66Å; F491-I502 HydrophobicContact CZ-CD1 4.41Å; F491-W522 HydrophobicContact CE1-CD2 4.34Å; F491-W522 HydrophobicContact CE1-CE3 4.23Å; F491-W522 HydrophobicContact CE2-CD2 4.4Å; F491-W522 HydrophobicContact CE2-CE3 4.43Å; F491-W522 AromaticContact CE2-CH2 3.88Å; F491-W522 HydrophobicContact CE2-CH2 3.88Å; F491-W522 AromaticContact CE2-CZ2 3.87Å; F491-W522 HydrophobicContact CE2-CZ2 3.87Å; F491-W522 HydrophobicContact CE2-CZ3 4.18Å; F491-W522 AromaticContact CZ-CD2 3.51Å; F491-W522 HydrophobicContact CZ-CD2 3.51Å; F491-W522 AromaticContact CZ-CE2 3.65Å; F491-W522 AromaticContact CZ-CE3 3.52Å; F491-W522 HydrophobicContact CZ-CE3 3.52Å; F491-W522 HydrophobicContact CZ-CG 4.11Å; F491-W522 AromaticContact CZ-CH2 3.79Å; F491-W522 HydrophobicContact CZ-CH2 3.79Å; F491-W522 AromaticContact CZ-CZ2 3.8Å; F491-W522 HydrophobicContact CZ-CZ2 3.8Å; F491-W522 AromaticContact CZ-CZ3 3.66Å; F491-W522 HydrophobicContact CZ-CZ3 3.66Å; F491-P625 HydrophobicContact CE1-CG 4.43Å
492	I	97.8	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.1	179.6	-51.5	-66.8	0	0	0	109.4	Y500 F501 A503 I641 L665 Q668 R669	I492-Y500 PolarHBondContact O-N 2.98Å; I492-Y500 VanDerWaalsContact O-N 3.09Å; I492-F501 HydrophobicContact CB-CB 4.19Å; I492-F501 PolarHBondContact N-O 3.35Å; I492-F501 PolarHBondContact O-N 3.21Å; I492-A503 HydrophobicContact CD1-CB 4.27Å; I492-A503 HydrophobicContact CG1-CB 3.64Å; I492-I641 HydrophobicContact CG1-CD1 4.43Å; I492-I641 HydrophobicContact CG2-CG2 3.95Å; I492-L665 HydrophobicContact CG2-CD2 3.35Å; I492-Q668 VanDerWaalsContact CA-OE1 3.29Å; I492-Q668 HydrophobicContact CD1-CB 3.63Å; I492-R669 HydrophobicContact CD1-CB 3.94Å
493	D	93.8	Very high	94.4	Very high	45 Å²	45	29.5 Å²	29.5	24%	0.241	14%	0.136	C	C	.	.			trans	-67.1	140.2	177.5	-68.1	-23.1	0	0	0	112.4	K498 D499 N645	D493-K498 WeakPolarHBondContact OD1-CA 3.46Å; D493-K498 WeakPolarHBondContact OD1-CB 3.33Å; D493-D499 PolarHBondContact OD1-N 3.25Å; D493-D499 VanDerWaalsContact OD1-N 3.09Å; D493-N645 PolarHBondContact O-ND2 3.43Å
494	G	92.8	Very high	95.2	Very high	5 Å²	5	25.1 Å²	25.1	5%	0.052	12%	0.117	C	C	.	.			trans	-91.5	-178.2	167.9	0	0	0	0	0	112.2	Q497 N645	G494-Q497 WeakPolarHBondContact CA-O 3.49Å; G494-Q497 PolarHBondContact N-O 2.87Å; G494-N645 VanDerWaalsContact CA-OD1 3.3Å; G494-N645 WeakPolarHBondContact CA-OD1 3.45Å
495	Y	88.4	Confident	95.6	Very high	23 Å²	23	24.8 Å²	24.8	9%	0.09	12%	0.115	C	C	.	.	S	Bend	trans	-66	-37.5	178.7	172.7	-116.3	0	0	0	113.5	L274 V275 N645 E648 R649 A652 E653	L274-Y495 HydrophobicContact CD2-CE1 4.11Å; L274-Y495 HydrophobicContact CD2-CE2 4.13Å; L274-Y495 WeakPolarHBondContact CD2-OH 3.34Å; V275-Y495 WeakPolarHBondContact CB-O 3.33Å; V275-Y495 PolarHBondContact N-O 3.21Å; Y495-N645 PolarHBondContact N-OD1 3.04Å; Y495-E648 HydrophobicContact CD1-CB 4.14Å; Y495-E648 HydrophobicContact CD1-CG 3.71Å; Y495-E648 HydrophobicContact CE1-CG 4.43Å; Y495-R649 HydrophobicContact CD2-CB 3.89Å; Y495-R649 HydrophobicContact CD2-CG 4.14Å; Y495-R649 HydrophobicContact CE2-CB 3.73Å; Y495-R649 HydrophobicContact CE2-CG 3.54Å; Y495-R649 HydrophobicContact CG-CB 4.4Å; Y495-A652 HydrophobicContact CE1-CB 3.82Å; Y495-E653 WeakPolarHBondContact CE2-OE1 3.48Å; Y495-E653 VanDerWaalsContact OH-CD 3.27Å; Y495-E653 WeakPolarHBondContact OH-CG 3.41Å; Y495-E653 PolarHBondContact OH-OE1 2.79Å
496	R	87.3	Confident	95.7	Very high	112 Å²	112	23.9 Å²	23.9	42%	0.423	11%	0.109	S	C	.	.	S	Bend	trans	-112.4	-15.2	-178.5	-64.6	-179.5	-175.3	-94.9	2.8	115.1	V273 E648	V273-R496 PolarHBondContact O-NH1 3.16Å; R496-E648 WeakPolarHBondContact CD-OE1 3.43Å; R496-E648 WeakPolarHBondContact CG-OE1 3.28Å; R496-E648 IonicContact NE-OE1 2.62Å; R496-E648 PolarHBondContact NE-OE1 2.99Å; R496-E648 VanDerWaalsContact NE-OE1 3.12Å
497	Q	86.9	Confident	95.7	Very high	77 Å²	77	24 Å²	24	36%	0.36	11%	0.11	S	C	.	.	S	Bend	trans	-138.5	135.7	-168.5	-175.3	180	-29.9	0	0	110.3	G494 Y500 N623	G494-Q497 WeakPolarHBondContact CA-O 3.49Å; G494-Q497 PolarHBondContact N-O 2.87Å; Q497-Y500 HydrophobicContact CB-CD2 4.16Å; Q497-Y500 HydrophobicContact CB-CG 4.4Å; Q497-Y500 HydrophobicContact CG-CD2 4.35Å; Q497-Y500 WeakPolarHBondContact O-CB 3.31Å; Q497-N623 PolarHBondContact NE2-O 3.25Å; Q497-N623 VanDerWaalsContact NE2-O 3.1Å; Q497-N623 PolarHBondContact OE1-O 3Å
498	K	88.9	Confident	95.7	Very high	103 Å²	103	24.5 Å²	24.5	45%	0.448	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	152.3	171.1	-66.5	-170.9	177	-179.4	0	111.3	V275 S305 D493 Y500	V275-K498 HydrophobicContact CG2-CG 4.02Å; S305-K498 PolarHBondContact OG-NZ 2.76Å; D493-K498 WeakPolarHBondContact OD1-CA 3.46Å; D493-K498 WeakPolarHBondContact OD1-CB 3.33Å; K498-Y500 PolarHBondContact O-N 3.46Å; K498-Y500 VanDerWaalsContact O-N 3.09Å
499	D	94.1	Very high	95.7	Very high	76 Å²	76	29.1 Å²	29.1	41%	0.406	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	29.8	178.9	-54.1	-34.9	0	0	0	113.3	F491 D493 F501 P625	F491-D499 HydrophobicContact CB-CB 4.15Å; F491-D499 VanDerWaalsContact CB-OD1 3.28Å; F491-D499 WeakPolarHBondContact CB-OD1 3.49Å; F491-D499 HydrophobicContact CD1-CB 3.68Å; F491-D499 HydrophobicContact CE1-CB 4.33Å; F491-D499 HydrophobicContact CG-CB 4.03Å; D493-D499 PolarHBondContact OD1-N 3.25Å; D493-D499 VanDerWaalsContact OD1-N 3.09Å; D499-F501 VanDerWaalsContact C-N 3.33Å; D499-F501 PolarHBondContact O-N 3.23Å; D499-P625 WeakPolarHBondContact O-CG 3.31Å
500	Y	96.3	Very high	95.5	Very high	22 Å²	22	34.2 Å²	34.2	9%	0.086	17%	0.166	C	C	.	.			trans	-73.7	-24.9	-173.5	-171.1	-122.9	0	0	0	113	I492 Q497 K498 N623 P625 I626	I492-Y500 PolarHBondContact O-N 2.98Å; I492-Y500 VanDerWaalsContact O-N 3.09Å; Q497-Y500 HydrophobicContact CB-CD2 4.16Å; Q497-Y500 HydrophobicContact CB-CG 4.4Å; Q497-Y500 HydrophobicContact CG-CD2 4.35Å; Q497-Y500 WeakPolarHBondContact O-CB 3.31Å; K498-Y500 PolarHBondContact O-N 3.46Å; K498-Y500 VanDerWaalsContact O-N 3.09Å; Y500-N623 HydrophobicContact CE2-CB 4.25Å; Y500-P625 CarbonylContact O-C 3.59Å; Y500-P625 WeakPolarHBondContact O-CA 3.31Å; Y500-I626 HydrophobicContact CD1-CD1 4.28Å; Y500-I626 HydrophobicContact CE1-CD1 3.7Å; Y500-I626 PolarHBondContact O-N 3.32Å
501	F	98.6	Very high	95.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.5	173.1	-51.7	-91.1	0	0	0	111.4	F491 I492 D499 I626 V628 F640 I641 N645	F491-F501 WeakPolarHBondContact CA-O 3.39Å; I492-F501 HydrophobicContact CB-CB 4.19Å; I492-F501 PolarHBondContact N-O 3.35Å; I492-F501 PolarHBondContact O-N 3.21Å; D499-F501 VanDerWaalsContact C-N 3.33Å; D499-F501 PolarHBondContact O-N 3.23Å; F501-I626 CarbonylContact C-O 3.54Å; F501-I626 WeakPolarHBondContact CA-O 3.44Å; F501-I626 HydrophobicContact CD1-CB 3.87Å; F501-I626 HydrophobicContact CD1-CD1 3.88Å; F501-I626 HydrophobicContact CD1-CG1 4.44Å; F501-I626 HydrophobicContact CD1-CG2 4.37Å; F501-I626 HydrophobicContact CE1-CB 4.39Å; F501-I626 HydrophobicContact CE1-CD1 3.55Å; F501-I626 HydrophobicContact CZ-CD1 4.38Å; F501-V628 HydrophobicContact CD1-CG2 3.92Å; F501-F640 HydrophobicContact CE1-CE1 4.41Å; F501-I641 HydrophobicContact CB-CD1 3.92Å; F501-I641 HydrophobicContact CB-CG1 4.3Å; F501-I641 HydrophobicContact CD1-CG1 4.02Å; F501-I641 HydrophobicContact CD2-CG1 4.47Å; F501-I641 HydrophobicContact CD2-CG2 3.72Å; F501-I641 HydrophobicContact CE1-CG1 4.47Å; F501-I641 HydrophobicContact CE2-CG2 3.86Å; F501-I641 HydrophobicContact CG-CD1 4.2Å; F501-I641 HydrophobicContact CG-CG1 4.03Å; F501-I641 HydrophobicContact CG-CG2 4.13Å; F501-I641 HydrophobicContact CZ-CG2 4.41Å; F501-N645 WeakPolarHBondContact CE2-OD1 3.19Å
502	I	98.9	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.3	162.7	-65.6	177.2	0	0	0	107.6	V473 A489 S490 F491 M518 W522 P625 I626 V627 V628	V473-I502 HydrophobicContact CG2-CD1 4.33Å; V473-I502 HydrophobicContact CG2-CG1 4.22Å; V473-I502 HydrophobicContact CG2-CG2 3.83Å; A489-I502 HydrophobicContact CB-CG2 3.77Å; S490-I502 WeakPolarHBondContact O-CA 3.37Å; F491-I502 HydrophobicContact CD1-CD1 4.46Å; F491-I502 HydrophobicContact CD1-CG1 3.82Å; F491-I502 HydrophobicContact CE1-CD1 3.8Å; F491-I502 HydrophobicContact CE1-CG1 3.66Å; F491-I502 HydrophobicContact CZ-CD1 4.41Å; I502-M518 HydrophobicContact CG2-CE 3.84Å; I502-M518 HydrophobicContact CG2-SD 3.77Å; I502-W522 HydrophobicContact CD1-CB 4.09Å; I502-W522 HydrophobicContact CD1-CG 4.41Å; I502-P625 HydrophobicContact CD1-CB 4.05Å; I502-P625 HydrophobicContact CG1-CB 3.97Å; I502-I626 PolarHBondContact N-O 2.95Å; I502-V627 HydrophobicContact CB-CG2 4.28Å; I502-V627 HydrophobicContact CD1-CG2 4.39Å; I502-V628 PolarHBondContact O-N 3.32Å
503	A	98.9	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	111.8	172.9	0	0	0	0	0	109.7	A489 S490 I492 T637 I641 M672	A489-A503 WeakPolarHBondContact CA-O 3.07Å; S490-A503 PolarHBondContact N-O 2.69Å; S490-A503 PolarHBondContact O-N 2.94Å; I492-A503 HydrophobicContact CD1-CB 4.27Å; I492-A503 HydrophobicContact CG1-CB 3.64Å; A503-T637 HydrophobicContact CB-CG2 3.71Å; A503-I641 HydrophobicContact CB-CD1 3.92Å; A503-M672 HydrophobicContact CB-CE 4.19Å
504	T	98.9	Very high	95.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158.1	-176	-175.5	0	0	0	0	112.2	N488 F515 M518 V627 V628 H629 G633	N488-T504 PolarHBondContact O-OG1 2.65Å; N488-T504 VanDerWaalsContact O-OG1 3.07Å; T504-F515 HydrophobicContact CG2-CD2 4.42Å; T504-F515 HydrophobicContact CG2-CE2 3.96Å; T504-M518 HydrophobicContact CG2-CE 4.21Å; T504-V627 HydrophobicContact CG2-CG1 3.69Å; T504-V628 PolarHBondContact N-O 3.23Å; T504-H629 HydrophobicContact CG2-CB 3.65Å; T504-H629 VanDerWaalsContact O-CA 3.3Å; T504-H629 WeakPolarHBondContact O-CA 3.4Å; T504-H629 WeakPolarHBondContact O-CB 3.46Å; T504-G633 WeakPolarHBondContact O-CA 3.41Å
505	Q	98.6	Very high	95.9	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.028	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-69.9	157.8	168.2	72.8	178.6	35.2	0	0	111.2	K459 N488 S631	K459-Q505 PolarHBondContact O-NE2 2.81Å; N488-Q505 HydrophobicContact CB-CG 4.1Å; N488-Q505 PolarHBondContact ND2-OE1 3.04Å; N488-Q505 PolarHBondContact O-N 2.96Å; Q505-S631 WeakPolarHBondContact CA-O 3.18Å; Q505-S631 WeakPolarHBondContact CB-O 3.13Å
506	G	98.6	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-62.9	126.6	167	0	0	0	0	0	109.9	R461 C630 S631	R461-G506 PolarHBondContact NE-O 2.82Å; R461-G506 PolarHBondContact NH2-O 3.39Å; G506-C630 WeakPolarHBondContact CA-O 3.46Å; G506-C630 PolarHBondContact N-O 2.88Å; G506-S631 PolarHBondContact N-O 3.42Å
507	P	98.4	Very high	96.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.013	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-50.2	142	-174.7	-31.3	37	0	0	0	113.3	R461 V512 F515 C542 Y544	R461-P507 PolarHBondContact NH2-O 3.08Å; P507-V512 HydrophobicContact CB-CG2 4.15Å; P507-F515 HydrophobicContact CB-CB 4.43Å; P507-F515 HydrophobicContact CG-CB 3.9Å; P507-F515 HydrophobicContact CG-CD1 4.12Å; P507-F515 HydrophobicContact CG-CD2 3.59Å; P507-F515 HydrophobicContact CG-CE2 4.08Å; P507-F515 HydrophobicContact CG-CG 3.6Å; P507-C542 WeakPolarHBondContact O-CB 3.2Å; P507-C542 PolarHBondContact O-N 2.72Å; P507-Y544 HydrophobicContact CB-CD1 4.41Å; P507-Y544 HydrophobicContact CG-CD1 3.72Å; P507-Y544 HydrophobicContact CG-CE1 4.22Å; P507-Y544 HydrophobicContact CG-CG 4.18Å
508	L	98.1	Very high	97.4	Very high	22 Å²	22	25.9 Å²	25.9	12%	0.115	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-87.7	157.8	166	-61	169.2	0	0	0	108.4	R461 H510 T511 V512	R461-L508 HydrophobicContact CB-CD2 4.32Å; R461-L508 HydrophobicContact CG-CD2 4.47Å; L508-H510 PolarHBondContact O-N 3.22Å; L508-H510 VanDerWaalsContact O-N 3.14Å; L508-T511 HydrophobicContact CB-CG2 4.13Å; L508-T511 HydrophobicContact CD1-CG2 4.35Å; L508-T511 PolarHBondContact N-OG1 3.01Å; L508-T511 PolarHBondContact O-N 3.11Å; L508-T511 PolarHBondContact O-OG1 3.37Å; L508-V512 WeakPolarHBondContact O-CG2 3.5Å; L508-V512 PolarHBondContact O-N 3.23Å
509	P	97.2	Very high	97.8	Very high	100 Å²	100	21 Å²	21	65%	0.649	11%	0.11	S	C	*	.	G	3₁₀ helix	trans	-51.1	-41.5	179.4	-28.8	36	0	0	0	113.5	T511 C542	P509-T511 VanDerWaalsContact C-N 3.34Å; P509-T511 PolarHBondContact O-N 3.43Å; P509-C542 HydrophobicContact CG-CB 4.34Å
510	H	96.5	Very high	98	Very high	108 Å²	108	18.1 Å²	18.1	50%	0.5	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-87.4	8.6	178.7	60.7	-82.5	0	0	0	114.8	K458 L508	K458-H510 PolarHBondContact O-CE1 3.15Å; K458-H510 PolarHBondContact O-NE2 3.45Å; L508-H510 PolarHBondContact O-N 3.22Å; L508-H510 VanDerWaalsContact O-N 3.14Å
511	T	97.6	Very high	98	Very high	9 Å²	9	19.7 Å²	19.7	6%	0.055	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-124.4	8.2	175.6	72.9	0	0	0	0	113.1	K459 L508 P509 E513 D514 F515	K459-T511 HydrophobicContact CB-CG2 4.02Å; K459-T511 HydrophobicContact CG-CG2 4.09Å; L508-T511 HydrophobicContact CB-CG2 4.13Å; L508-T511 HydrophobicContact CD1-CG2 4.35Å; L508-T511 PolarHBondContact N-OG1 3.01Å; L508-T511 PolarHBondContact O-N 3.11Å; L508-T511 PolarHBondContact O-OG1 3.37Å; P509-T511 VanDerWaalsContact C-N 3.34Å; P509-T511 PolarHBondContact O-N 3.43Å; T511-E513 VanDerWaalsContact C-N 3.32Å; T511-E513 PolarHBondContact O-N 3.04Å; T511-D514 PolarHBondContact O-N 3.35Å; T511-F515 PolarHBondContact O-N 2.78Å
512	V	98.2	Very high	98	Very high	8 Å²	8	24 Å²	24	5%	0.048	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-41.3	177.4	174.9	0	0	0	0	111.3	P507 L508 F515 W516 C542 Y553	P507-V512 HydrophobicContact CB-CG2 4.15Å; L508-V512 WeakPolarHBondContact O-CG2 3.5Å; L508-V512 PolarHBondContact O-N 3.23Å; V512-F515 WeakPolarHBondContact O-CB 3.32Å; V512-F515 PolarHBondContact O-N 3.4Å; V512-W516 PolarHBondContact O-N 3.4Å; V512-C542 HydrophobicContact CG2-CB 4.43Å; V512-Y553 HydrophobicContact CB-CD1 4.37Å; V512-Y553 HydrophobicContact CG1-CD1 3.39Å; V512-Y553 HydrophobicContact CG1-CD2 4.39Å; V512-Y553 HydrophobicContact CG1-CE1 3.7Å; V512-Y553 HydrophobicContact CG1-CG 3.77Å
513	E	96.7	Very high	97.9	Very high	60 Å²	60	29.2 Å²	29.2	28%	0.28	14%	0.141	S	C	.	.	H	α-helix	trans	-64.1	-42.7	175.3	-176.5	-178.6	179	0	0	111.9	R478 T511 F515 W516 R517	R478-E513 IonicContact CZ-OE1 2.77Å; R478-E513 IonicContact NH1-OE1 3.83Å; R478-E513 PolarHBondContact NH1-OE1 3.18Å; R478-E513 IonicContact NH1-OE2 2.68Å; R478-E513 VanDerWaalsContact NH2-CD 3.28Å; R478-E513 IonicContact NH2-OE1 3.34Å; R478-E513 PolarHBondContact NH2-OE1 3.29Å; T511-E513 VanDerWaalsContact C-N 3.32Å; T511-E513 PolarHBondContact O-N 3.04Å; E513-F515 VanDerWaalsContact C-N 3.26Å; E513-F515 PolarHBondContact O-N 3.37Å; E513-W516 PolarHBondContact O-N 3.04Å; E513-R517 VanDerWaalsContact O-CB 3.27Å; E513-R517 WeakPolarHBondContact O-CB 3.24Å; E513-R517 PolarHBondContact O-N 2.79Å
514	D	97.5	Very high	97.8	Very high	15 Å²	15	29.2 Å²	29.2	8%	0.08	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-37.1	174.9	-78.4	-19.3	0	0	0	111.5	K459 L475 T511 R517 M518	K459-D514 WeakPolarHBondContact CE-OD2 3.49Å; K459-D514 IonicContact NZ-OD2 2.8Å; K459-D514 PolarHBondContact NZ-OD2 2.93Å; L475-D514 HydrophobicContact CD1-CB 4.35Å; T511-D514 PolarHBondContact O-N 3.35Å; D514-R517 IonicContact OD1-CZ 2.7Å; D514-R517 IonicContact OD1-NE 3.32Å; D514-R517 IonicContact OD1-NH2 3.76Å; D514-R517 PolarHBondContact OD1-NH2 2.9Å; D514-M518 WeakPolarHBondContact O-CB 3.26Å; D514-M518 PolarHBondContact O-N 3.12Å
515	F	98.6	Very high	97.7	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-48.9	176.6	177.5	-92.2	0	0	0	112.3	T504 P507 T511 V512 E513 R517 M518 V519 I527 Y544 V627	T504-F515 HydrophobicContact CG2-CD2 4.42Å; T504-F515 HydrophobicContact CG2-CE2 3.96Å; P507-F515 HydrophobicContact CB-CB 4.43Å; P507-F515 HydrophobicContact CG-CB 3.9Å; P507-F515 HydrophobicContact CG-CD1 4.12Å; P507-F515 HydrophobicContact CG-CD2 3.59Å; P507-F515 HydrophobicContact CG-CE2 4.08Å; P507-F515 HydrophobicContact CG-CG 3.6Å; T511-F515 PolarHBondContact O-N 2.78Å; V512-F515 WeakPolarHBondContact O-CB 3.32Å; V512-F515 PolarHBondContact O-N 3.4Å; E513-F515 VanDerWaalsContact C-N 3.26Å; E513-F515 PolarHBondContact O-N 3.37Å; F515-R517 VanDerWaalsContact C-N 3.33Å; F515-R517 PolarHBondContact O-N 3.2Å; F515-M518 HydrophobicContact CD2-CE 4.12Å; F515-M518 HydrophobicContact CE2-CE 4.25Å; F515-M518 VanDerWaalsContact O-CB 3.31Å; F515-M518 WeakPolarHBondContact O-CB 3.33Å; F515-M518 PolarHBondContact O-N 2.83Å; F515-V519 HydrophobicContact CD1-CG2 4.33Å; F515-V519 HydrophobicContact CE1-CG2 3.98Å; F515-V519 HydrophobicContact CZ-CG2 4.24Å; F515-V519 WeakPolarHBondContact O-CG2 3.5Å; F515-V519 PolarHBondContact O-N 2.66Å; F515-I527 HydrophobicContact CE1-CD1 4.09Å; F515-I527 HydrophobicContact CZ-CD1 4.21Å; F515-I527 HydrophobicContact CZ-CG2 4.07Å; F515-Y544 HydrophobicContact CD1-CD2 4.03Å; F515-Y544 HydrophobicContact CD1-CE2 4.37Å; F515-Y544 HydrophobicContact CD1-CG 4.35Å; F515-Y544 AromaticContact CE1-CD2 3.57Å; F515-Y544 HydrophobicContact CE1-CD2 3.57Å; F515-Y544 AromaticContact CE1-CE2 3.47Å; F515-Y544 HydrophobicContact CE1-CE2 3.47Å; F515-Y544 VanDerWaalsContact CE1-CE2 3.47Å; F515-Y544 HydrophobicContact CE1-CG 4.2Å; F515-Y544 AromaticContact CE1-CZ 4Å; F515-Y544 HydrophobicContact CZ-CD2 4.36Å; F515-Y544 AromaticContact CZ-CE2 3.9Å; F515-Y544 HydrophobicContact CZ-CE2 3.9Å; F515-Y544 AromaticContact CZ-CZ 3.98Å; F515-V627 HydrophobicContact CE2-CG1 3.79Å; F515-V627 HydrophobicContact CZ-CG1 4.01Å
516	W	98.4	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-35.6	177.9	-77.7	119.1	0	0	0	112.8	V512 E513 M518 V519 W520 I527 Y544 Y553 Y556 V558 L574 L576	V512-W516 PolarHBondContact O-N 3.4Å; E513-W516 PolarHBondContact O-N 3.04Å; W516-M518 VanDerWaalsContact C-N 3.32Å; W516-M518 PolarHBondContact O-N 2.91Å; W516-V519 HydrophobicContact CE3-CB 4.13Å; W516-V519 HydrophobicContact CE3-CG1 4.13Å; W516-V519 HydrophobicContact CE3-CG2 4.27Å; W516-V519 HydrophobicContact CZ3-CG1 4.12Å; W516-V519 PolarHBondContact O-N 2.79Å; W516-W520 WeakPolarHBondContact O-CB 3.33Å; W516-W520 PolarHBondContact O-N 2.87Å; W516-I527 HydrophobicContact CH2-CD1 3.96Å; W516-I527 HydrophobicContact CZ3-CD1 3.88Å; W516-Y544 VanDerWaalsContact CE2-O 3.3Å; W516-Y544 HydrophobicContact CH2-CD2 4.47Å; W516-Y544 AromaticContact CZ2-CD2 3.69Å; W516-Y544 HydrophobicContact CZ2-CD2 3.69Å; W516-Y544 HydrophobicContact CZ2-CE2 4.23Å; W516-Y544 VanDerWaalsContact CZ2-O 3.31Å; W516-Y544 WeakPolarHBondContact CZ2-O 3.36Å; W516-Y544 PolarHBondContact NE1-O 3.3Å; W516-Y553 AromaticContact CD1-CD2 3.51Å; W516-Y553 AromaticContact CD1-CG 3.92Å; W516-Y553 AromaticContact NE1-CD2 3.54Å; W516-Y553 AromaticContact NE1-CE2 3.63Å; W516-Y556 HydrophobicContact CB-CD2 4.34Å; W516-Y556 HydrophobicContact CB-CG 4.13Å; W516-V558 HydrophobicContact CD2-CG2 3.8Å; W516-V558 VanDerWaalsContact CE2-CG2 3.44Å; W516-V558 HydrophobicContact CE3-CG2 4.25Å; W516-V558 HydrophobicContact CG-CG2 4.29Å; W516-V558 HydrophobicContact CH2-CG1 4.04Å; W516-V558 HydrophobicContact CH2-CG2 4.07Å; W516-V558 HydrophobicContact CZ2-CB 4.35Å; W516-V558 HydrophobicContact CZ2-CG1 3.88Å; W516-V558 HydrophobicContact CZ2-CG2 3.59Å; W516-V558 HydrophobicContact CZ3-CG2 4.37Å; W516-L574 HydrophobicContact CH2-CD1 3.86Å; W516-L574 HydrophobicContact CZ2-CD1 4.47Å; W516-L576 HydrophobicContact CD2-CD1 4.16Å; W516-L576 HydrophobicContact CE3-CD1 3.71Å; W516-L576 HydrophobicContact CE3-CD2 3.82Å; W516-L576 HydrophobicContact CE3-CG 4.33Å; W516-L576 HydrophobicContact CZ3-CD1 4.26Å; W516-L576 HydrophobicContact CZ3-CD2 4.18Å
517	R	97.5	Very high	97.7	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-43.7	170.2	179.9	164	59.7	133.4	6.1	111.9	L475 S476 T484 E513 D514 F515 W520 E521 Y556	L475-R517 VanDerWaalsContact CD1-NH2 3.32Å; S476-R517 PolarHBondContact O-NH1 3.32Å; T484-R517 PolarHBondContact O-NH1 3.4Å; T484-R517 VanDerWaalsContact O-NH1 3.11Å; T484-R517 PolarHBondContact O-NH2 2.95Å; E513-R517 VanDerWaalsContact O-CB 3.27Å; E513-R517 WeakPolarHBondContact O-CB 3.24Å; E513-R517 PolarHBondContact O-N 2.79Å; D514-R517 IonicContact OD1-CZ 2.7Å; D514-R517 IonicContact OD1-NE 3.32Å; D514-R517 IonicContact OD1-NH2 3.76Å; D514-R517 PolarHBondContact OD1-NH2 2.9Å; F515-R517 VanDerWaalsContact C-N 3.33Å; F515-R517 PolarHBondContact O-N 3.2Å; R517-W520 PolarHBondContact O-N 2.6Å; R517-E521 VanDerWaalsContact CD-OE1 3.23Å; R517-E521 WeakPolarHBondContact CD-OE1 3.24Å; R517-E521 HydrophobicContact CG-CG 4.16Å; R517-E521 WeakPolarHBondContact CG-OE1 3.49Å; R517-E521 WeakPolarHBondContact O-CB 3.46Å; R517-E521 WeakPolarHBondContact O-CG 3.49Å; R517-E521 PolarHBondContact O-N 2.81Å; R517-Y556 HydrophobicContact CB-CE2 3.64Å; R517-Y556 HydrophobicContact CG-CE2 4.24Å; R517-Y556 WeakPolarHBondContact CG-OH 3.24Å
518	M	98.4	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-50.1	174.7	-173.9	-170.8	70.2	0	0	111.9	V473 L475 V487 A489 I502 T504 D514 F515 W516 W520 E521 W522 V627	V473-M518 HydrophobicContact CB-SD 4.37Å; V473-M518 HydrophobicContact CG1-CG 3.7Å; V473-M518 HydrophobicContact CG1-SD 4.08Å; L475-M518 HydrophobicContact CD2-CB 3.79Å; L475-M518 HydrophobicContact CD2-CG 4.17Å; V487-M518 HydrophobicContact CG1-CG 4.28Å; V487-M518 HydrophobicContact CG1-SD 3.89Å; V487-M518 HydrophobicContact CG2-SD 4.2Å; A489-M518 HydrophobicContact CB-SD 3.53Å; A489-M518 VanDerWaalsContact CB-SD 3.53Å; I502-M518 HydrophobicContact CG2-CE 3.84Å; I502-M518 HydrophobicContact CG2-SD 3.77Å; T504-M518 HydrophobicContact CG2-CE 4.21Å; D514-M518 WeakPolarHBondContact O-CB 3.26Å; D514-M518 PolarHBondContact O-N 3.12Å; F515-M518 HydrophobicContact CD2-CE 4.12Å; F515-M518 HydrophobicContact CE2-CE 4.25Å; F515-M518 VanDerWaalsContact O-CB 3.31Å; F515-M518 WeakPolarHBondContact O-CB 3.33Å; F515-M518 PolarHBondContact O-N 2.83Å; W516-M518 VanDerWaalsContact C-N 3.32Å; W516-M518 PolarHBondContact O-N 2.91Å; M518-W520 PolarHBondContact O-N 3.07Å; M518-E521 PolarHBondContact O-N 3.1Å; M518-W522 WeakPolarHBondContact O-CB 3.37Å; M518-W522 PolarHBondContact O-N 2.91Å; M518-W522 VanDerWaalsContact O-N 3.09Å; M518-V627 HydrophobicContact CE-CG1 3.96Å; M518-V627 HydrophobicContact CE-CG2 4.12Å
519	V	98.5	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56	-42.3	177.4	172	0	0	0	0	110.7	F515 W516 K523 C524 I527 L576 I587 V627	F515-V519 HydrophobicContact CD1-CG2 4.33Å; F515-V519 HydrophobicContact CE1-CG2 3.98Å; F515-V519 HydrophobicContact CZ-CG2 4.24Å; F515-V519 WeakPolarHBondContact O-CG2 3.5Å; F515-V519 PolarHBondContact O-N 2.66Å; W516-V519 HydrophobicContact CE3-CB 4.13Å; W516-V519 HydrophobicContact CE3-CG1 4.13Å; W516-V519 HydrophobicContact CE3-CG2 4.27Å; W516-V519 HydrophobicContact CZ3-CG1 4.12Å; W516-V519 PolarHBondContact O-N 2.79Å; V519-K523 PolarHBondContact O-N 2.88Å; V519-C524 HydrophobicContact CG1-CB 4.12Å; V519-C524 PolarHBondContact O-N 3.27Å; V519-I527 HydrophobicContact CG1-CD1 4.39Å; V519-I527 HydrophobicContact CG2-CD1 4Å; V519-L576 HydrophobicContact CB-CD2 4.46Å; V519-L576 HydrophobicContact CG1-CD2 3.9Å; V519-I587 HydrophobicContact CG1-CD1 3.97Å; V519-I587 HydrophobicContact CG1-CG1 4.49Å; V519-V627 HydrophobicContact CG2-CG2 4.18Å
520	W	97.9	Very high	97.9	Very high	16 Å²	16	24.6 Å²	24.6	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-69.8	-56.2	177.8	-175	-98.5	0	0	0	113	W516 R517 M518 W522 K523 Y556 L576 F578 Q583 R585	W516-W520 WeakPolarHBondContact O-CB 3.33Å; W516-W520 PolarHBondContact O-N 2.87Å; R517-W520 PolarHBondContact O-N 2.6Å; M518-W520 PolarHBondContact O-N 3.07Å; W520-W522 PolarHBondContact O-N 3.19Å; W520-K523 PolarHBondContact O-N 3.46Å; W520-K523 VanDerWaalsContact O-N 3.07Å; W520-Y556 HydrophobicContact CB-CD1 4.19Å; W520-Y556 HydrophobicContact CB-CE1 3.47Å; W520-Y556 VanDerWaalsContact CB-CE1 3.47Å; W520-Y556 AromaticContact CD1-CE1 3.89Å; W520-Y556 HydrophobicContact CD2-CE1 4.17Å; W520-Y556 HydrophobicContact CG-CD1 4.38Å; W520-Y556 AromaticContact CG-CE1 3.56Å; W520-Y556 HydrophobicContact CG-CE1 3.56Å; W520-L576 HydrophobicContact CB-CD2 4.24Å; W520-L576 HydrophobicContact CE3-CD2 3.81Å; W520-L576 HydrophobicContact CE3-CG 3.91Å; W520-L576 HydrophobicContact CZ3-CG 4.38Å; W520-F578 HydrophobicContact CD2-CB 3.94Å; W520-F578 VanDerWaalsContact CE2-CB 3.45Å; W520-F578 AromaticContact CE2-CG 3.96Å; W520-F578 HydrophobicContact CE3-CB 4.24Å; W520-F578 HydrophobicContact CH2-CB 3.73Å; W520-F578 HydrophobicContact CZ2-CB 3.37Å; W520-F578 HydrophobicContact CZ2-CD1 4.32Å; W520-F578 HydrophobicContact CZ2-CG 4.16Å; W520-F578 HydrophobicContact CZ3-CB 4.13Å; W520-F578 AromaticContact NE1-CD1 3.96Å; W520-F578 AromaticContact NE1-CG 3.87Å; W520-Q583 HydrophobicContact CH2-CB 3.57Å; W520-Q583 VanDerWaalsContact CH2-O 3.24Å; W520-Q583 WeakPolarHBondContact CH2-O 3.31Å; W520-Q583 HydrophobicContact CZ2-CB 3.76Å; W520-R585 HydrophobicContact CE3-CG 4.3Å; W520-R585 HydrophobicContact CH2-CG 4Å; W520-R585 HydrophobicContact CZ3-CB 4.08Å; W520-R585 HydrophobicContact CZ3-CG 3.6Å; W520-R585 PolarHBondContact O-NH1 2.81Å
521	E	96.9	Very high	97.9	Very high	54 Å²	54	19.6 Å²	19.6	25%	0.252	9%	0.087	S	C	.	.	H	α-helix	trans	-60	-35.8	-174.8	-70.8	-173.8	-148.5	0	0	111.7	S476 R517 M518	S476-E521 WeakPolarHBondContact CB-OE2 3.34Å; S476-E521 PolarHBondContact N-OE1 3.24Å; S476-E521 PolarHBondContact N-OE2 3.49Å; S476-E521 PolarHBondContact OG-OE2 3.32Å; R517-E521 VanDerWaalsContact CD-OE1 3.23Å; R517-E521 WeakPolarHBondContact CD-OE1 3.24Å; R517-E521 HydrophobicContact CG-CG 4.16Å; R517-E521 WeakPolarHBondContact CG-OE1 3.49Å; R517-E521 WeakPolarHBondContact O-CB 3.46Å; R517-E521 WeakPolarHBondContact O-CG 3.49Å; R517-E521 PolarHBondContact O-N 2.81Å; M518-E521 PolarHBondContact O-N 3.1Å
522	W	97.1	Very high	97.9	Very high	91 Å²	91	22.4 Å²	22.4	35%	0.345	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	12	-179.6	-64.6	101.7	0	0	0	114.7	V473 I474 F491 I502 M518 W520 C524	V473-W522 HydrophobicContact CG1-CG 4.24Å; I474-W522 WeakPolarHBondContact O-CZ2 3.48Å; I474-W522 PolarHBondContact O-NE1 3.32Å; I474-W522 VanDerWaalsContact O-NE1 3.08Å; F491-W522 HydrophobicContact CE1-CD2 4.34Å; F491-W522 HydrophobicContact CE1-CE3 4.23Å; F491-W522 HydrophobicContact CE2-CD2 4.4Å; F491-W522 HydrophobicContact CE2-CE3 4.43Å; F491-W522 AromaticContact CE2-CH2 3.88Å; F491-W522 HydrophobicContact CE2-CH2 3.88Å; F491-W522 AromaticContact CE2-CZ2 3.87Å; F491-W522 HydrophobicContact CE2-CZ2 3.87Å; F491-W522 HydrophobicContact CE2-CZ3 4.18Å; F491-W522 AromaticContact CZ-CD2 3.51Å; F491-W522 HydrophobicContact CZ-CD2 3.51Å; F491-W522 AromaticContact CZ-CE2 3.65Å; F491-W522 AromaticContact CZ-CE3 3.52Å; F491-W522 HydrophobicContact CZ-CE3 3.52Å; F491-W522 HydrophobicContact CZ-CG 4.11Å; F491-W522 AromaticContact CZ-CH2 3.79Å; F491-W522 HydrophobicContact CZ-CH2 3.79Å; F491-W522 AromaticContact CZ-CZ2 3.8Å; F491-W522 HydrophobicContact CZ-CZ2 3.8Å; F491-W522 AromaticContact CZ-CZ3 3.66Å; F491-W522 HydrophobicContact CZ-CZ3 3.66Å; I502-W522 HydrophobicContact CD1-CB 4.09Å; I502-W522 HydrophobicContact CD1-CG 4.41Å; M518-W522 WeakPolarHBondContact O-CB 3.37Å; M518-W522 PolarHBondContact O-N 2.91Å; M518-W522 VanDerWaalsContact O-N 3.09Å; W520-W522 PolarHBondContact O-N 3.19Å; W522-C524 PolarHBondContact O-N 3.08Å; W522-C524 VanDerWaalsContact O-N 3.08Å
523	K	96.7	Very high	97.8	Very high	110 Å²	110	24.4 Å²	24.4	48%	0.478	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	35.8	174.4	-52.7	-179.1	-178.8	178.6	0	113.1	V519 W520 H525 H624	V519-K523 PolarHBondContact O-N 2.88Å; W520-K523 PolarHBondContact O-N 3.46Å; W520-K523 VanDerWaalsContact O-N 3.07Å; K523-H525 PolarHBondContact O-CE1 2.94Å; K523-H525 PolarHBondContact O-ND1 3.28Å; K523-H624 WeakPolarHBondContact O-CB 3.44Å; K523-H624 VanDerWaalsContact O-CG 3.25Å
524	C	97.7	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.			trans	-70.7	138.3	179.3	-55.7	0	0	0	0	109	V519 W522 I587 P625 V627	V519-C524 HydrophobicContact CG1-CB 4.12Å; V519-C524 PolarHBondContact O-N 3.27Å; W522-C524 PolarHBondContact O-N 3.08Å; W522-C524 VanDerWaalsContact O-N 3.08Å; C524-I587 WeakPolarHBondContact O-CD1 3.47Å; C524-P625 WeakPolarHBondContact CB-O 3.33Å; C524-P625 PolarHBondContact SG-O 3.09Å; C524-V627 HydrophobicContact CB-CG2 3.75Å
525	H	97.5	Very high	97.5	Very high	35 Å²	35	27 Å²	27	16%	0.162	12%	0.121	C	C	.	.			trans	-118.4	-8.6	178.6	-65.2	81.4	0	0	0	112.9	K523 T586 I587 R588 H624	K523-H525 PolarHBondContact O-CE1 2.94Å; K523-H525 PolarHBondContact O-ND1 3.28Å; H525-T586 PolarHBondContact CD2-O 3.1Å; H525-I587 WeakPolarHBondContact O-CA 2.96Å; H525-R588 PolarHBondContact O-N 3.4Å; H525-H624 AromaticContact CE1-CD2 3.28Å; H525-H624 PolarHBondContact CE1-CD2 3.25Å; H525-H624 AromaticContact CE1-NE2 3.86Å; H525-H624 AromaticContact ND1-CD2 3.28Å; H525-H624 PolarHBondContact ND1-CD2 3.36Å; H525-H624 VanDerWaalsContact ND1-CD2 3.28Å; H525-H624 AromaticContact ND1-CG 3.81Å
526	S	98.6	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128	-176.9	-58.1	0	0	0	0	109.3	R588 Q617 Q618 V627	S526-R588 WeakPolarHBondContact CA-O 3.39Å; S526-Q617 WeakPolarHBondContact OG-CG 3.32Å; S526-Q618 PolarHBondContact OG-OE1 3.3Å; S526-V627 PolarHBondContact O-N 3.09Å
527	I	98.8	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.5	174.5	-56.3	174.8	0	0	0	108.6	F515 W516 V519 Y544 I587 R588 H589 F590 V627	F515-I527 HydrophobicContact CE1-CD1 4.09Å; F515-I527 HydrophobicContact CZ-CD1 4.21Å; F515-I527 HydrophobicContact CZ-CG2 4.07Å; W516-I527 HydrophobicContact CH2-CD1 3.96Å; W516-I527 HydrophobicContact CZ3-CD1 3.88Å; V519-I527 HydrophobicContact CG1-CD1 4.39Å; V519-I527 HydrophobicContact CG2-CD1 4Å; I527-Y544 VanDerWaalsContact CG2-OH 3.31Å; I527-Y544 WeakPolarHBondContact CG2-OH 3.25Å; I527-I587 HydrophobicContact CD1-CG2 3.66Å; I527-I587 HydrophobicContact CG1-CG2 3.86Å; I527-R588 PolarHBondContact N-O 3.46Å; I527-H589 CarbonylContact O-C 3.42Å; I527-H589 WeakPolarHBondContact O-CA 3.26Å; I527-F590 PolarHBondContact O-N 3.2Å; I527-V627 CarbonylContact C-O 3.52Å; I527-V627 WeakPolarHBondContact CA-O 3.48Å; I527-V627 HydrophobicContact CG1-CB 4.22Å; I527-V627 HydrophobicContact CG2-CB 4.45Å; I527-V627 HydrophobicContact CG2-CG1 4.39Å
528	V	98.8	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.6	177.6	-174.8	0	0	0	0	109.1	L530 F590 I610 V614 I626 V627 V628 H629 F640	V528-L530 HydrophobicContact CG1-CD2 3.75Å; V528-L530 HydrophobicContact CG1-CG 4.01Å; V528-F590 WeakPolarHBondContact CA-O 3.42Å; V528-F590 HydrophobicContact CG2-CB 4.47Å; V528-F590 HydrophobicContact CG2-CD2 4.42Å; V528-I610 HydrophobicContact CG1-CD1 4.15Å; V528-V614 HydrophobicContact CG2-CG1 4.37Å; V528-V614 HydrophobicContact CG2-CG2 3.64Å; V528-I626 HydrophobicContact CG2-CG2 3.97Å; V528-V627 PolarHBondContact N-O 3.28Å; V528-V628 HydrophobicContact CB-CG1 4.26Å; V528-V628 HydrophobicContact CB-CG2 4.31Å; V528-V628 HydrophobicContact CG1-CG1 4.47Å; V528-V628 HydrophobicContact CG2-CG2 4.49Å; V528-H629 PolarHBondContact O-N 3.12Å; V528-F640 HydrophobicContact CB-CZ 4.42Å; V528-F640 HydrophobicContact CG1-CD2 4.09Å; V528-F640 HydrophobicContact CG1-CE1 4.33Å; V528-F640 HydrophobicContact CG1-CE2 3.85Å; V528-F640 HydrophobicContact CG1-CG 4.45Å; V528-F640 HydrophobicContact CG1-CZ 3.99Å; V528-F640 HydrophobicContact CG2-CE1 4.13Å; V528-F640 HydrophobicContact CG2-CZ 3.87Å
529	M	98.8	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121	176.9	177.3	163.5	175.8	0	0	109.6	T531 L533 C541 Y544 W545 F590 F592 H629	M529-T531 HydrophobicContact CE-CG2 4.39Å; M529-T531 WeakPolarHBondContact CE-O 3.4Å; M529-L533 HydrophobicContact CE-CD2 3.99Å; M529-C541 HydrophobicContact CE-CB 4.03Å; M529-Y544 HydrophobicContact SD-CE1 4.17Å; M529-W545 HydrophobicContact CE-CH2 3.7Å; M529-W545 HydrophobicContact CE-CZ3 3.88Å; M529-W545 HydrophobicContact SD-CH2 3.66Å; M529-W545 HydrophobicContact SD-CZ3 3.46Å; M529-W545 WeakPolarHBondContact SD-CZ3 3.21Å; M529-F590 PolarHBondContact N-O 3.01Å; M529-F592 PolarHBondContact O-N 3.45Å; M529-H629 WeakPolarHBondContact CB-NE2 3.32Å; M529-H629 VanDerWaalsContact CG-CE1 3.43Å; M529-H629 WeakPolarHBondContact CG-CE1 3.25Å
530	L	98.4	Very high	96.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.247	C	C	.	.			trans	-115	27.1	-172.5	-57.9	167.9	0	0	0	112.7	V528 F592 V628 H629 C630 R636 F640	V528-L530 HydrophobicContact CG1-CD2 3.75Å; V528-L530 HydrophobicContact CG1-CG 4.01Å; L530-F592 HydrophobicContact CD2-CB 3.91Å; L530-F592 HydrophobicContact CD2-CD1 4.39Å; L530-F592 HydrophobicContact CD2-CG 4.38Å; L530-V628 HydrophobicContact CD1-CG1 3.76Å; L530-H629 PolarHBondContact N-O 3.31Å; L530-C630 HydrophobicContact CB-CB 4.15Å; L530-R636 HydrophobicContact CB-CB 4Å; L530-R636 HydrophobicContact CD1-CB 4.26Å; L530-R636 WeakPolarHBondContact CD1-O 3.35Å; L530-R636 WeakPolarHBondContact O-CD 3.36Å; L530-R636 PolarHBondContact O-NH1 3.49Å; L530-F640 HydrophobicContact CD1-CB 3.52Å; L530-F640 HydrophobicContact CD1-CG 4.11Å; L530-F640 HydrophobicContact CD2-CB 4.41Å; L530-F640 HydrophobicContact CD2-CD2 4.12Å; L530-F640 HydrophobicContact CD2-CG 4.48Å
531	T	97.3	Very high	96.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	25%	0.247	C	C	.	.	S	Bend	trans	-153.9	148.1	-177.8	-165.8	0	0	0	0	108.8	M529 E535 K540 C541 H591 R636	M529-T531 HydrophobicContact CE-CG2 4.39Å; M529-T531 WeakPolarHBondContact CE-O 3.4Å; T531-E535 WeakPolarHBondContact CA-OE1 3.39Å; T531-E535 PolarHBondContact OG1-OE1 2.89Å; T531-K540 HydrophobicContact CG2-CB 4.31Å; T531-K540 WeakPolarHBondContact OG1-CB 3.31Å; T531-C541 HydrophobicContact CG2-CB 4.01Å; T531-H591 PolarHBondContact O-NE2 3.26Å; T531-R636 PolarHBondContact OG1-NH1 3.26Å
532	E	97.4	Very high	96.3	Very high	68 Å²	68	53.2 Å²	53.2	32%	0.318	25%	0.246	S	C	.	.			trans	-72.1	168.6	167.4	-63.9	-57.3	152.6	0	0	110.6	Q534 E535 K540 H591 H593	E532-Q534 VanDerWaalsContact C-N 3.29Å; E532-Q534 PolarHBondContact O-N 3.46Å; E532-E535 HydrophobicContact CB-CG 3.99Å; E532-E535 PolarHBondContact N-OE1 2.8Å; E532-E535 VanDerWaalsContact N-OE1 3.08Å; E532-K540 WeakPolarHBondContact O-CB 3.47Å; E532-H591 IonicContact OE1-NE2 3.54Å; E532-H591 IonicContact OE2-CE1 2.84Å; E532-H591 PolarHBondContact OE2-CE1 2.96Å; E532-H591 IonicContact OE2-NE2 2.9Å; E532-H593 IonicContact OE1-CE1 2.84Å; E532-H593 IonicContact OE1-CG 2.71Å; E532-H593 IonicContact OE1-ND1 2.72Å; E532-H593 PolarHBondContact OE1-ND1 3.28Å; E532-H593 IonicContact OE2-ND1 3.24Å
533	L	96.7	Very high	96.3	Very high	49 Å²	49	52.1 Å²	52.1	26%	0.257	24%	0.244	S	C	.	.	S	Bend	trans	-62.5	-41.3	174.9	-65.2	176.7	0	0	0	111.3	M529 K540 C541 Q543 W545	M529-L533 HydrophobicContact CE-CD2 3.99Å; L533-K540 PolarHBondContact O-N 2.86Å; L533-C541 HydrophobicContact CD2-CB 4.35Å; L533-C541 WeakPolarHBondContact CD2-O 3.46Å; L533-C541 PolarHBondContact O-N 3.49Å; L533-Q543 HydrophobicContact CD1-CB 3.92Å; L533-Q543 HydrophobicContact CD1-CG 4.36Å; L533-Q543 HydrophobicContact CD2-CB 3.85Å; L533-W545 HydrophobicContact CD1-CH2 4.46Å; L533-W545 HydrophobicContact CD2-CH2 3.68Å; L533-W545 HydrophobicContact CD2-CZ3 4.12Å; L533-W545 HydrophobicContact CG-CH2 4.19Å
534	Q	95.6	Very high	96.3	Very high	116 Å²	116	46.9 Å²	46.9	54%	0.542	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.7	176.4	-70.1	-177.3	-22.9	0	0	110	E532 Q538 D539	E532-Q534 VanDerWaalsContact C-N 3.29Å; E532-Q534 PolarHBondContact O-N 3.46Å; Q534-Q538 WeakPolarHBondContact CA-O 3.48Å; Q534-D539 WeakPolarHBondContact CG-OD1 3.35Å; Q534-D539 PolarHBondContact NE2-OD1 2.69Å
535	E	93.1	Very high	96.3	Very high	13 Å²	13	47.7 Å²	47.7	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128	173.4	-64	176.3	-162	0	0	107.8	T531 E532 E537 Q538 K540 E597 R636	T531-E535 WeakPolarHBondContact CA-OE1 3.39Å; T531-E535 PolarHBondContact OG1-OE1 2.89Å; E532-E535 HydrophobicContact CB-CG 3.99Å; E532-E535 PolarHBondContact N-OE1 2.8Å; E532-E535 VanDerWaalsContact N-OE1 3.08Å; E535-E537 VanDerWaalsContact C-N 3.28Å; E535-E537 PolarHBondContact O-N 2.84Å; E535-Q538 PolarHBondContact N-O 2.9Å; E535-Q538 VanDerWaalsContact N-O 3.1Å; E535-Q538 PolarHBondContact O-N 2.93Å; E535-Q538 VanDerWaalsContact O-N 3.08Å; E535-K540 HydrophobicContact CB-CG 3.9Å; E535-K540 HydrophobicContact CG-CG 3.96Å; E535-E597 HydrophobicContact CB-CG 4.36Å; E535-R636 IonicContact OE1-CZ 2.76Å; E535-R636 IonicContact OE1-NH1 3.42Å; E535-R636 PolarHBondContact OE1-NH1 2.7Å; E535-R636 IonicContact OE1-NH2 3.94Å; E535-R636 IonicContact OE2-CZ 2.79Å; E535-R636 IonicContact OE2-NH1 3.75Å; E535-R636 PolarHBondContact OE2-NH1 3.31Å; E535-R636 IonicContact OE2-NH2 3.65Å; E535-R636 PolarHBondContact OE2-NH2 3.03Å
536	R	90.7	Very high	96.1	Very high	136 Å²	136	46.3 Å²	46.3	51%	0.513	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	46.6	-172.6	-49.7	-173.5	-160.1	177.1	10.4	113.3	Q538 E597 I598	R536-Q538 PolarHBondContact O-N 2.9Å; R536-Q538 VanDerWaalsContact O-N 3.07Å; R536-E597 HydrophobicContact CG-CB 4.18Å; R536-E597 WeakPolarHBondContact CG-OE2 3.34Å; R536-E597 PolarHBondContact N-OE1 2.92Å; R536-E597 PolarHBondContact NE-O 2.99Å; R536-E597 PolarHBondContact NH2-O 2.82Å; R536-I598 VanDerWaalsContact NH2-CA 3.33Å
537	E	89.9	Confident	95.5	Very high	189 Å²	189	51.5 Å²	51.5	88%	0.883	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	14.1	-179.6	-51.9	179.6	166.8	0	0	114.8	E535	E535-E537 VanDerWaalsContact C-N 3.28Å; E535-E537 PolarHBondContact O-N 2.84Å
538	Q	92.5	Very high	94.8	Very high	116 Å²	116	58.8 Å²	58.8	54%	0.542	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.4	176.2	-64.9	-179.2	5	0	0	111.1	Q534 E535 R536 K540	Q534-Q538 WeakPolarHBondContact CA-O 3.48Å; E535-Q538 PolarHBondContact N-O 2.9Å; E535-Q538 VanDerWaalsContact N-O 3.1Å; E535-Q538 PolarHBondContact O-N 2.93Å; E535-Q538 VanDerWaalsContact O-N 3.08Å; R536-Q538 PolarHBondContact O-N 2.9Å; R536-Q538 VanDerWaalsContact O-N 3.07Å; Q538-K540 PolarHBondContact O-N 2.77Å; Q538-K540 VanDerWaalsContact O-N 3.11Å
539	D	94.4	Very high	94.3	Very high	108 Å²	108	65.4 Å²	65.4	58%	0.578	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	111.6	174.1	-67	-25	0	0	0	111.2	R461 Q534	R461-D539 PolarHBondContact NH1-O 3.45Å; Q534-D539 WeakPolarHBondContact CG-OD1 3.35Å; Q534-D539 PolarHBondContact NE2-OD1 2.69Å
540	K	96.7	Very high	94.1	Very high	43 Å²	43	68.5 Å²	68.5	19%	0.187	34%	0.342	C	S	.	.			trans	-96.9	-32.2	177.8	-61.9	-50.2	-176.5	-172.2	0	112.5	R461 T531 E532 L533 E535 Q538 S631	R461-K540 PolarHBondContact NE-O 3.21Å; R461-K540 PolarHBondContact NH1-O 3.35Å; R461-K540 PolarHBondContact NH2-O 3.44Å; T531-K540 HydrophobicContact CG2-CB 4.31Å; T531-K540 WeakPolarHBondContact OG1-CB 3.31Å; E532-K540 WeakPolarHBondContact O-CB 3.47Å; L533-K540 PolarHBondContact O-N 2.86Å; E535-K540 HydrophobicContact CB-CG 3.9Å; E535-K540 HydrophobicContact CG-CG 3.96Å; Q538-K540 PolarHBondContact O-N 2.77Å; Q538-K540 VanDerWaalsContact O-N 3.11Å; K540-S631 WeakPolarHBondContact O-CA 3.42Å; K540-S631 WeakPolarHBondContact O-CB 3.4Å; K540-S631 PolarHBondContact O-OG 3.19Å
541	C	97.8	Very high	94	Very high	7 Å²	7	69.7 Å²	69.7	5%	0.047	35%	0.352	C	S	.	.			trans	-150.4	140.8	-179.9	-169.1	0	0	0	0	110.7	M529 T531 L533	M529-C541 HydrophobicContact CE-CB 4.03Å; T531-C541 HydrophobicContact CG2-CB 4.01Å; L533-C541 HydrophobicContact CD2-CB 4.35Å; L533-C541 WeakPolarHBondContact CD2-O 3.46Å; L533-C541 PolarHBondContact O-N 3.49Å
542	C	97.1	Very high	93.9	Very high	34 Å²	34	73.7 Å²	73.7	23%	0.23	38%	0.376	C	S	.	.			trans	-76.3	141.1	165.3	-176.4	0	0	0	0	109	P507 P509 V512 Y544	P507-C542 WeakPolarHBondContact O-CB 3.2Å; P507-C542 PolarHBondContact O-N 2.72Å; P509-C542 HydrophobicContact CG-CB 4.34Å; V512-C542 HydrophobicContact CG2-CB 4.43Å; C542-Y544 WeakPolarHBondContact O-CD1 3.49Å; C542-Y544 PolarHBondContact O-N 3.38Å
543	Q	97.2	Very high	93.8	Very high	67 Å²	67	72.6 Å²	72.6	31%	0.313	37%	0.37	S	S	.	.			trans	-69.6	116.4	172.5	-174	172.2	-5.1	0	0	109.6	L533 W545	L533-Q543 HydrophobicContact CD1-CB 3.92Å; L533-Q543 HydrophobicContact CD1-CG 4.36Å; L533-Q543 HydrophobicContact CD2-CB 3.85Å; Q543-W545 HydrophobicContact CG-CD2 3.83Å; Q543-W545 HydrophobicContact CG-CE3 3.99Å; Q543-W545 HydrophobicContact CG-CG 4.42Å; Q543-W545 HydrophobicContact CG-CH2 4.09Å; Q543-W545 HydrophobicContact CG-CZ2 3.91Å; Q543-W545 HydrophobicContact CG-CZ3 4.11Å; Q543-W545 WeakPolarHBondContact CG-O 3.45Å; Q543-W545 PolarHBondContact NE2-O 3.1Å
544	Y	97.6	Very high	93.6	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.378	C	S	.	.			trans	-111	5.9	-176.2	60.1	-95.6	0	0	0	113.2	P507 F515 W516 I527 M529 C542 Y553 H589 H629	P507-Y544 HydrophobicContact CB-CD1 4.41Å; P507-Y544 HydrophobicContact CG-CD1 3.72Å; P507-Y544 HydrophobicContact CG-CE1 4.22Å; P507-Y544 HydrophobicContact CG-CG 4.18Å; F515-Y544 HydrophobicContact CD1-CD2 4.03Å; F515-Y544 HydrophobicContact CD1-CE2 4.37Å; F515-Y544 HydrophobicContact CD1-CG 4.35Å; F515-Y544 AromaticContact CE1-CD2 3.57Å; F515-Y544 HydrophobicContact CE1-CD2 3.57Å; F515-Y544 AromaticContact CE1-CE2 3.47Å; F515-Y544 HydrophobicContact CE1-CE2 3.47Å; F515-Y544 VanDerWaalsContact CE1-CE2 3.47Å; F515-Y544 HydrophobicContact CE1-CG 4.2Å; F515-Y544 AromaticContact CE1-CZ 4Å; F515-Y544 HydrophobicContact CZ-CD2 4.36Å; F515-Y544 AromaticContact CZ-CE2 3.9Å; F515-Y544 HydrophobicContact CZ-CE2 3.9Å; F515-Y544 AromaticContact CZ-CZ 3.98Å; W516-Y544 VanDerWaalsContact CE2-O 3.3Å; W516-Y544 HydrophobicContact CH2-CD2 4.47Å; W516-Y544 AromaticContact CZ2-CD2 3.69Å; W516-Y544 HydrophobicContact CZ2-CD2 3.69Å; W516-Y544 HydrophobicContact CZ2-CE2 4.23Å; W516-Y544 VanDerWaalsContact CZ2-O 3.31Å; W516-Y544 WeakPolarHBondContact CZ2-O 3.36Å; W516-Y544 PolarHBondContact NE1-O 3.3Å; I527-Y544 VanDerWaalsContact CG2-OH 3.31Å; I527-Y544 WeakPolarHBondContact CG2-OH 3.25Å; M529-Y544 HydrophobicContact SD-CE1 4.17Å; C542-Y544 WeakPolarHBondContact O-CD1 3.49Å; C542-Y544 PolarHBondContact O-N 3.38Å; Y544-Y553 WeakPolarHBondContact O-CE2 3.29Å; Y544-Y553 PolarHBondContact O-OH 2.84Å; Y544-H589 AromaticContact CE2-CD2 3.99Å; Y544-H589 AromaticContact CE2-NE2 3.93Å; Y544-H589 AromaticContact CZ-CD2 3.96Å; Y544-H589 AromaticContact CZ-NE2 3.51Å; Y544-H589 PolarHBondContact OH-CD2 2.91Å; Y544-H589 VanDerWaalsContact OH-CD2 3.25Å; Y544-H589 PolarHBondContact OH-NE2 3.34Å; Y544-H629 AromaticContact CE1-CE1 3.72Å; Y544-H629 AromaticContact CE1-NE2 3.38Å; Y544-H629 WeakPolarHBondContact CE1-NE2 3.38Å; Y544-H629 AromaticContact CZ-NE2 3.43Å; Y544-H629 PolarHBondContact OH-CD2 2.65Å; Y544-H629 PolarHBondContact OH-NE2 3.04Å
545	W	97	Very high	93.6	Very high	17 Å²	17	70.3 Å²	70.3	6%	0.064	37%	0.372	C	S	.	.	S	Bend	trans	-118.7	153.5	174.7	67.7	93.3	0	0	0	109.5	M529 L533 Q543 L574	M529-W545 HydrophobicContact CE-CH2 3.7Å; M529-W545 HydrophobicContact CE-CZ3 3.88Å; M529-W545 HydrophobicContact SD-CH2 3.66Å; M529-W545 HydrophobicContact SD-CZ3 3.46Å; M529-W545 WeakPolarHBondContact SD-CZ3 3.21Å; L533-W545 HydrophobicContact CD1-CH2 4.46Å; L533-W545 HydrophobicContact CD2-CH2 3.68Å; L533-W545 HydrophobicContact CD2-CZ3 4.12Å; L533-W545 HydrophobicContact CG-CH2 4.19Å; Q543-W545 HydrophobicContact CG-CD2 3.83Å; Q543-W545 HydrophobicContact CG-CE3 3.99Å; Q543-W545 HydrophobicContact CG-CG 4.42Å; Q543-W545 HydrophobicContact CG-CH2 4.09Å; Q543-W545 HydrophobicContact CG-CZ2 3.91Å; Q543-W545 HydrophobicContact CG-CZ3 4.11Å; Q543-W545 WeakPolarHBondContact CG-O 3.45Å; Q543-W545 PolarHBondContact NE2-O 3.1Å; W545-L574 HydrophobicContact CB-CD1 4.48Å
546	P	94.8	Very high	93.8	Very high	6 Å²	6	70.1 Å²	70.1	4%	0.039	37%	0.37	C	S	.	.			trans	-69	144.2	179.9	30.5	-37.5	0	0	0	112	E548 A551 V558 L560	P546-E548 WeakPolarHBondContact CB-O 3.43Å; P546-A551 HydrophobicContact CB-CB 3.77Å; P546-V558 HydrophobicContact CG-CG1 4.43Å; P546-L560 HydrophobicContact CG-CB 4.12Å
547	T	84.4	Confident	94.1	Very high	110 Å²	110	64.7 Å²	64.7	68%	0.675	35%	0.352	S	S	*	.	S	Bend	trans	-82.5	-24.6	164.2	46.5	0	0	0	0	112.5
548	E	84.1	Confident	94.5	Very high	152 Å²	152	55.7 Å²	55.7	71%	0.71	31%	0.31	S	S	*	.	S	Bend	trans	-106.3	-163.6	178.2	-60.6	-176.9	177.5	0	0	110.3	P546 S550	P546-E548 WeakPolarHBondContact CB-O 3.43Å; E548-S550 VanDerWaalsContact C-N 3.33Å; E548-S550 PolarHBondContact O-N 3.37Å
549	D	88.7	Confident	94.7	Very high	139 Å²	139	53 Å²	53	74%	0.743	30%	0.297	S	S	*	.	S	Bend	trans	-58	-39.1	-175.2	-67.9	-29.3	0	0	0	113.5	E559 L560	D549-E559 WeakPolarHBondContact O-CA 3.34Å; D549-L560 PolarHBondContact O-N 2.92Å
550	S	95.1	Very high	94.9	Very high	65 Å²	65	49.7 Å²	49.7	46%	0.455	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.1	-178.4	68.6	0	0	0	0	114.1	E548 V558	E548-S550 VanDerWaalsContact C-N 3.33Å; E548-S550 PolarHBondContact O-N 3.37Å; S550-V558 CarbonylContact C-O 3.57Å; S550-V558 WeakPolarHBondContact CA-O 3.42Å
551	A	96.1	Very high	94.8	Very high	25 Å²	25	53.8 Å²	53.8	21%	0.207	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.1	170.5	0	0	0	0	0	110.9	P546 Y553 T557 V558	P546-A551 HydrophobicContact CB-CB 3.77Å; A551-Y553 HydrophobicContact CB-CE1 4.47Å; A551-Y553 HydrophobicContact CB-CE2 3.85Å; A551-Y553 WeakPolarHBondContact CB-OH 3.3Å; A551-T557 WeakPolarHBondContact O-CA 3.24Å; A551-V558 PolarHBondContact N-O 2.71Å; A551-V558 PolarHBondContact O-N 3.4Å
552	T	95.9	Very high	94.6	Very high	88 Å²	88	54.5 Å²	54.5	54%	0.54	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.5	-179.9	-61.3	0	0	0	0	111.1	G554 Y556 T557	T552-G554 WeakPolarHBondContact CG2-O 3.43Å; T552-Y556 CarbonylContact C-O 3.55Å; T552-Y556 WeakPolarHBondContact CA-O 3.37Å; T552-T557 PolarHBondContact OG1-OG1 3.49Å
553	Y	95	Very high	94.5	Very high	45 Å²	45	56.9 Å²	56.9	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	89.4	-178.8	-50.9	-77	0	0	0	109	V512 W516 Y544 A551 D555 Y556 V558	V512-Y553 HydrophobicContact CB-CD1 4.37Å; V512-Y553 HydrophobicContact CG1-CD1 3.39Å; V512-Y553 HydrophobicContact CG1-CD2 4.39Å; V512-Y553 HydrophobicContact CG1-CE1 3.7Å; V512-Y553 HydrophobicContact CG1-CG 3.77Å; W516-Y553 AromaticContact CD1-CD2 3.51Å; W516-Y553 AromaticContact CD1-CG 3.92Å; W516-Y553 AromaticContact NE1-CD2 3.54Å; W516-Y553 AromaticContact NE1-CE2 3.63Å; Y544-Y553 WeakPolarHBondContact O-CE2 3.29Å; Y544-Y553 PolarHBondContact O-OH 2.84Å; A551-Y553 HydrophobicContact CB-CE1 4.47Å; A551-Y553 HydrophobicContact CB-CE2 3.85Å; A551-Y553 WeakPolarHBondContact CB-OH 3.3Å; Y553-D555 PolarHBondContact O-N 3.08Å; Y553-Y556 PolarHBondContact N-O 3.16Å; Y553-Y556 PolarHBondContact O-N 2.98Å; Y553-V558 HydrophobicContact CD2-CG2 3.91Å; Y553-V558 HydrophobicContact CE2-CB 4.23Å; Y553-V558 HydrophobicContact CE2-CG2 3.89Å
554	G	92.9	Very high	94.4	Very high	43 Å²	43	57.4 Å²	57.4	44%	0.443	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-123.3	-172.9	0	0	0	0	0	111.5	T552 Y556	T552-G554 WeakPolarHBondContact CG2-O 3.43Å; G554-Y556 PolarHBondContact O-N 3.27Å
555	D	94.4	Very high	94.3	Very high	74 Å²	74	63.7 Å²	63.7	40%	0.396	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3.9	179.7	-64.2	-33.5	0	0	0	114.3	Y553 F578 V579 P580	Y553-D555 PolarHBondContact O-N 3.08Å; D555-F578 HydrophobicContact CB-CD2 4.07Å; D555-F578 HydrophobicContact CB-CE2 3.67Å; D555-V579 WeakPolarHBondContact O-CB 3.49Å; D555-V579 WeakPolarHBondContact O-CG2 3.3Å; D555-V579 PolarHBondContact O-N 2.79Å; D555-P580 HydrophobicContact CB-CG 4.1Å
556	Y	97.1	Very high	94	Very high	8 Å²	8	65 Å²	65	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.2	-172.4	-58.6	-81.4	0	0	0	111.4	W516 R517 W520 T552 Y553 G554 L576 T577 F578	W516-Y556 HydrophobicContact CB-CD2 4.34Å; W516-Y556 HydrophobicContact CB-CG 4.13Å; R517-Y556 HydrophobicContact CB-CE2 3.64Å; R517-Y556 HydrophobicContact CG-CE2 4.24Å; R517-Y556 WeakPolarHBondContact CG-OH 3.24Å; W520-Y556 HydrophobicContact CB-CD1 4.19Å; W520-Y556 HydrophobicContact CB-CE1 3.47Å; W520-Y556 VanDerWaalsContact CB-CE1 3.47Å; W520-Y556 AromaticContact CD1-CE1 3.89Å; W520-Y556 HydrophobicContact CD2-CE1 4.17Å; W520-Y556 HydrophobicContact CG-CD1 4.38Å; W520-Y556 AromaticContact CG-CE1 3.56Å; W520-Y556 HydrophobicContact CG-CE1 3.56Å; T552-Y556 CarbonylContact C-O 3.55Å; T552-Y556 WeakPolarHBondContact CA-O 3.37Å; Y553-Y556 PolarHBondContact N-O 3.16Å; Y553-Y556 PolarHBondContact O-N 2.98Å; G554-Y556 PolarHBondContact O-N 3.27Å; Y556-L576 HydrophobicContact CD1-CD1 4.16Å; Y556-L576 HydrophobicContact CG-CD1 4.48Å; Y556-T577 WeakPolarHBondContact CA-O 3.47Å; Y556-F578 AromaticContact CD1-CD2 3.99Å; Y556-F578 HydrophobicContact CD1-CD2 3.99Å; Y556-F578 HydrophobicContact CE1-CB 4.37Å; Y556-F578 AromaticContact CE1-CD2 3.45Å; Y556-F578 HydrophobicContact CE1-CD2 3.45Å; Y556-F578 VanDerWaalsContact CE1-CD2 3.45Å; Y556-F578 HydrophobicContact CE1-CE2 4.12Å; Y556-F578 HydrophobicContact CE1-CG 4.24Å; Y556-F578 AromaticContact CZ-CD2 3.8Å; Y556-F578 AromaticContact CZ-CE2 3.98Å
557	T	97.6	Very high	93.8	Very high	22 Å²	22	72 Å²	72	14%	0.135	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.4	170.6	-60.9	0	0	0	0	109.3	A551 T552 E559 T577 V579	A551-T557 WeakPolarHBondContact O-CA 3.24Å; T552-T557 PolarHBondContact OG1-OG1 3.49Å; T557-E559 HydrophobicContact CG2-CG 4.38Å; T557-T577 PolarHBondContact N-O 2.95Å; T557-T577 PolarHBondContact O-N 2.92Å; T557-V579 WeakPolarHBondContact OG1-CG2 3.32Å
558	V	98	Very high	94.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.9	179	-175.6	0	0	0	0	107.9	W516 P546 S550 A551 Y553 L574 V575 L576	W516-V558 HydrophobicContact CD2-CG2 3.8Å; W516-V558 VanDerWaalsContact CE2-CG2 3.44Å; W516-V558 HydrophobicContact CE3-CG2 4.25Å; W516-V558 HydrophobicContact CG-CG2 4.29Å; W516-V558 HydrophobicContact CH2-CG1 4.04Å; W516-V558 HydrophobicContact CH2-CG2 4.07Å; W516-V558 HydrophobicContact CZ2-CB 4.35Å; W516-V558 HydrophobicContact CZ2-CG1 3.88Å; W516-V558 HydrophobicContact CZ2-CG2 3.59Å; W516-V558 HydrophobicContact CZ3-CG2 4.37Å; P546-V558 HydrophobicContact CG-CG1 4.43Å; S550-V558 CarbonylContact C-O 3.57Å; S550-V558 WeakPolarHBondContact CA-O 3.42Å; A551-V558 PolarHBondContact N-O 2.71Å; A551-V558 PolarHBondContact O-N 3.4Å; Y553-V558 HydrophobicContact CD2-CG2 3.91Å; Y553-V558 HydrophobicContact CE2-CB 4.23Å; Y553-V558 HydrophobicContact CE2-CG2 3.89Å; V558-L574 HydrophobicContact CG1-CB 4.22Å; V558-L574 HydrophobicContact CG1-CD1 4.17Å; V558-L574 HydrophobicContact CG1-CD2 4.29Å; V558-L574 HydrophobicContact CG1-CG 4.47Å; V558-V575 WeakPolarHBondContact CA-O 3.37Å; V558-L576 HydrophobicContact CG2-CD1 3.86Å
559	E	97.7	Very high	94.8	Very high	59 Å²	59	61.4 Å²	61.4	28%	0.276	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.1	177.3	-55	-177.9	179.1	0	0	110.3	D549 T557 K561 L574 V575	D549-E559 WeakPolarHBondContact O-CA 3.34Å; T557-E559 HydrophobicContact CG2-CG 4.38Å; E559-K561 VanDerWaalsContact OE2-CE 3.24Å; E559-K561 WeakPolarHBondContact OE2-CE 3.44Å; E559-K561 IonicContact OE2-NZ 2.85Å; E559-K561 PolarHBondContact OE2-NZ 3.08Å; E559-L574 CarbonylContact O-C 3.48Å; E559-L574 VanDerWaalsContact O-CA 3.26Å; E559-L574 WeakPolarHBondContact O-CA 3.26Å; E559-V575 HydrophobicContact CB-CB 4.34Å; E559-V575 PolarHBondContact N-O 2.7Å; E559-V575 PolarHBondContact O-N 3.01Å
560	L	96.9	Very high	95.2	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.2	173.9	-177.8	62.9	0	0	0	109.5	P546 D549 G562 R572 L574	P546-L560 HydrophobicContact CG-CB 4.12Å; D549-L560 PolarHBondContact O-N 2.92Å; L560-G562 WeakPolarHBondContact CD1-O 3.41Å; L560-R572 HydrophobicContact CD1-CB 3.89Å; L560-R572 HydrophobicContact CD1-CG 4.34Å; L560-L574 HydrophobicContact CB-CD2 4.4Å; L560-L574 HydrophobicContact CD1-CD2 3.62Å
561	K	96.1	Very high	95.3	Very high	129 Å²	129	53.4 Å²	53.4	56%	0.561	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	-27.1	178.6	-62.2	-56.8	-179.3	-165.5	0	113.5	E559 D573 V575	E559-K561 VanDerWaalsContact OE2-CE 3.24Å; E559-K561 WeakPolarHBondContact OE2-CE 3.44Å; E559-K561 IonicContact OE2-NZ 2.85Å; E559-K561 PolarHBondContact OE2-NZ 3.08Å; K561-D573 HydrophobicContact CB-CB 4.48Å; K561-D573 PolarHBondContact N-O 3.23Å; K561-V575 HydrophobicContact CD-CG2 4.39Å; K561-V575 HydrophobicContact CG-CG2 3.64Å
562	G	94	Very high	95.3	Very high	22 Å²	22	53.2 Å²	53.2	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	147.1	176	0	0	0	0	0	110.9	L560 R572 D573	L560-G562 WeakPolarHBondContact CD1-O 3.41Å; G562-R572 CarbonylContact O-C 3.49Å; G562-R572 WeakPolarHBondContact O-CA 3.48Å; G562-D573 PolarHBondContact N-O 3.01Å; G562-D573 PolarHBondContact O-N 3.44Å
563	D	94.3	Very high	95.4	Very high	84 Å²	84	51 Å²	51	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	110.2	171.4	-163.2	-20.6	0	0	0	107.6	L571 R572	D563-L571 WeakPolarHBondContact CA-O 3.47Å; D563-R572 HydrophobicContact CB-CG 4.38Å; D563-R572 IonicContact OD1-NE 2.78Å; D563-R572 IonicContact OD2-CZ 3.04Å; D563-R572 IonicContact OD2-NE 2.77Å; D563-R572 PolarHBondContact OD2-NE 2.8Å; D563-R572 IonicContact OD2-NH2 3.75Å
564	T	95.5	Very high	95.5	Very high	77 Å²	77	49 Å²	49	47%	0.472	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.5	-176.9	-57.3	0	0	0	0	109.4	C566 S570 L571	T564-C566 PolarHBondContact O-N 3.25Å; T564-S570 CarbonylContact O-C 3.53Å; T564-S570 WeakPolarHBondContact O-CA 3.35Å; T564-L571 PolarHBondContact N-O 3.33Å; T564-L571 PolarHBondContact O-N 3.36Å
565	L	94.1	Very high	95.8	Very high	132 Å²	132	48.1 Å²	48.1	69%	0.691	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.5	173.6	-177	62.5	0	0	0	110.1	S570	L565-S570 WeakPolarHBondContact CD1-OG 3.43Å
566	C	92	Very high	95.9	Very high	45 Å²	45	44.6 Å²	44.6	30%	0.304	24%	0.237	S	C	.	.			trans	-88.8	175.9	164.6	-55.3	0	0	0	0	109.9	T564 T568 F569	T564-C566 PolarHBondContact O-N 3.25Å; C566-T568 VanDerWaalsContact C-N 3.32Å; C566-T568 PolarHBondContact O-N 3.28Å; C566-F569 CarbonylContact C-O 3.6Å; C566-F569 VanDerWaalsContact CA-O 3.31Å; C566-F569 WeakPolarHBondContact CA-O 3.31Å; C566-F569 HydrophobicContact CB-CD1 4.21Å; C566-F569 HydrophobicContact CB-CD2 4.23Å; C566-F569 HydrophobicContact CB-CE1 4Å; C566-F569 HydrophobicContact CB-CE2 4.02Å; C566-F569 HydrophobicContact CB-CG 4.31Å; C566-F569 HydrophobicContact CB-CZ 3.89Å; C566-F569 WeakPolarHBondContact CB-O 3.43Å; C566-F569 PolarHBondContact N-O 3.33Å
567	E	90	Very high	95.9	Very high	154 Å²	154	45.4 Å²	45.4	72%	0.72	24%	0.242	S	C	*	.	S	Bend	trans	-55	-42.8	-175.8	-171.8	178.1	-162.9	0	0	113.5	K605	E567-K605 IonicContact OE2-NZ 2.65Å; E567-K605 PolarHBondContact OE2-NZ 3.01Å
568	T	92.6	Very high	95.9	Very high	32 Å²	32	45.6 Å²	45.6	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-125	0.6	-174	56.8	0	0	0	0	114.3	C566 F592 H593 G594 G606	C566-T568 VanDerWaalsContact C-N 3.32Å; C566-T568 PolarHBondContact O-N 3.28Å; T568-F592 WeakPolarHBondContact O-CD2 3.41Å; T568-H593 PolarHBondContact O-N 2.88Å; T568-G594 PolarHBondContact O-N 3.21Å; T568-G606 WeakPolarHBondContact OG1-CA 3.48Å
569	F	96.5	Very high	95.6	Very high	7 Å²	7	49 Å²	49	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.8	179.3	64	-88	0	0	0	111.9	C566 F590 H591 F592 D609 I610 S613	C566-F569 CarbonylContact C-O 3.6Å; C566-F569 VanDerWaalsContact CA-O 3.31Å; C566-F569 WeakPolarHBondContact CA-O 3.31Å; C566-F569 HydrophobicContact CB-CD1 4.21Å; C566-F569 HydrophobicContact CB-CD2 4.23Å; C566-F569 HydrophobicContact CB-CE1 4Å; C566-F569 HydrophobicContact CB-CE2 4.02Å; C566-F569 HydrophobicContact CB-CG 4.31Å; C566-F569 HydrophobicContact CB-CZ 3.89Å; C566-F569 WeakPolarHBondContact CB-O 3.43Å; C566-F569 PolarHBondContact N-O 3.33Å; F569-F590 HydrophobicContact CD2-CD1 4.48Å; F569-F590 HydrophobicContact CE2-CD1 4.2Å; F569-H591 CarbonylContact C-O 3.55Å; F569-H591 WeakPolarHBondContact CA-O 3.32Å; F569-H591 WeakPolarHBondContact CB-O 3.33Å; F569-F592 HydrophobicContact CB-CD2 4.17Å; F569-D609 HydrophobicContact CE1-CB 4.31Å; F569-I610 HydrophobicContact CB-CD1 4.13Å; F569-I610 HydrophobicContact CD1-CB 3.83Å; F569-I610 HydrophobicContact CD1-CG1 4.28Å; F569-I610 HydrophobicContact CD2-CG1 4.43Å; F569-I610 HydrophobicContact CE1-CB 4Å; F569-I610 HydrophobicContact CG-CB 4.27Å; F569-I610 HydrophobicContact CG-CD1 4.21Å; F569-I610 HydrophobicContact CG-CG1 4.22Å; F569-S613 WeakPolarHBondContact CZ-OG 3.22Å
570	S	97.1	Very high	95.3	Very high	9 Å²	9	50 Å²	50	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	144.7	169.2	-57.4	0	0	0	0	110.9	T564 L565 H591 H593	T564-S570 CarbonylContact O-C 3.53Å; T564-S570 WeakPolarHBondContact O-CA 3.35Å; L565-S570 WeakPolarHBondContact CD1-OG 3.43Å; S570-H591 PolarHBondContact N-O 3.41Å; S570-H591 PolarHBondContact O-N 3.04Å; S570-H593 PolarHBondContact OG-NE2 3.28Å
571	L	97.1	Very high	95	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.6	177	-168	73.4	0	0	0	109.8	D563 T564 R588 H589 F590	D563-L571 WeakPolarHBondContact CA-O 3.47Å; T564-L571 PolarHBondContact N-O 3.33Å; T564-L571 PolarHBondContact O-N 3.36Å; L571-R588 HydrophobicContact CD1-CG 3.5Å; L571-R588 VanDerWaalsContact CD1-CG 3.5Å; L571-R588 HydrophobicContact CG-CG 4.04Å; L571-H589 CarbonylContact C-O 3.54Å; L571-H589 WeakPolarHBondContact CA-O 3.46Å; L571-F590 HydrophobicContact CD1-CD1 3.26Å; L571-F590 HydrophobicContact CD1-CD2 4.45Å; L571-F590 HydrophobicContact CD1-CE1 3.25Å; L571-F590 HydrophobicContact CD1-CE2 4.45Å; L571-F590 HydrophobicContact CD1-CG 3.91Å; L571-F590 HydrophobicContact CD1-CZ 3.89Å
572	R	97.3	Very high	94.7	Very high	20 Å²	20	55.9 Å²	55.9	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.8	175.6	-48.4	-175.4	178.2	86.3	9.4	111.2	L560 G562 D563 L574 R588 H589	L560-R572 HydrophobicContact CD1-CB 3.89Å; L560-R572 HydrophobicContact CD1-CG 4.34Å; G562-R572 CarbonylContact O-C 3.49Å; G562-R572 WeakPolarHBondContact O-CA 3.48Å; D563-R572 HydrophobicContact CB-CG 4.38Å; D563-R572 IonicContact OD1-NE 2.78Å; D563-R572 IonicContact OD2-CZ 3.04Å; D563-R572 IonicContact OD2-NE 2.77Å; D563-R572 PolarHBondContact OD2-NE 2.8Å; D563-R572 IonicContact OD2-NH2 3.75Å; R572-L574 HydrophobicContact CB-CD2 4.14Å; R572-L574 HydrophobicContact CB-CG 4.36Å; R572-R588 WeakPolarHBondContact O-CA 3.34Å; R572-H589 HydrophobicContact CB-CB 4.14Å; R572-H589 PolarHBondContact N-O 2.98Å; R572-H589 PolarHBondContact NH1-CE1 2.97Å; R572-H589 VanDerWaalsContact NH1-CE1 3.28Å; R572-H589 PolarHBondContact NH1-ND1 3.32Å; R572-H589 VanDerWaalsContact NH1-ND1 3.12Å; R572-H589 PolarHBondContact O-N 2.98Å
573	D	96.8	Very high	94.7	Very high	43 Å²	43	59.1 Å²	59.1	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.8	169.6	-69.3	-42	0	0	0	108.1	K561 G562 R588	K561-D573 HydrophobicContact CB-CB 4.48Å; K561-D573 PolarHBondContact N-O 3.23Å; G562-D573 PolarHBondContact N-O 3.01Å; G562-D573 PolarHBondContact O-N 3.44Å; D573-R588 IonicContact OD1-CZ 3.88Å; D573-R588 IonicContact OD1-NE 3.67Å; D573-R588 PolarHBondContact OD1-NE 3.3Å; D573-R588 IonicContact OD1-NH2 2.72Å; D573-R588 PolarHBondContact OD1-NH2 3.23Å; D573-R588 IonicContact OD2-NH2 2.94Å
574	L	98	Very high	94.9	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.2	-176.6	-54.4	176.7	0	0	0	110.3	W516 W545 V558 E559 L560 R572 T586 I587 H589	W516-L574 HydrophobicContact CH2-CD1 3.86Å; W516-L574 HydrophobicContact CZ2-CD1 4.47Å; W545-L574 HydrophobicContact CB-CD1 4.48Å; V558-L574 HydrophobicContact CG1-CB 4.22Å; V558-L574 HydrophobicContact CG1-CD1 4.17Å; V558-L574 HydrophobicContact CG1-CD2 4.29Å; V558-L574 HydrophobicContact CG1-CG 4.47Å; E559-L574 CarbonylContact O-C 3.48Å; E559-L574 VanDerWaalsContact O-CA 3.26Å; E559-L574 WeakPolarHBondContact O-CA 3.26Å; L560-L574 HydrophobicContact CB-CD2 4.4Å; L560-L574 HydrophobicContact CD1-CD2 3.62Å; R572-L574 HydrophobicContact CB-CD2 4.14Å; R572-L574 HydrophobicContact CB-CG 4.36Å; L574-T586 WeakPolarHBondContact O-CA 3.44Å; L574-I587 WeakPolarHBondContact CA-O 3.2Å; L574-I587 HydrophobicContact CB-CB 4.24Å; L574-I587 PolarHBondContact N-O 3.16Å; L574-I587 PolarHBondContact O-N 3.01Å; L574-H589 HydrophobicContact CD1-CB 3.93Å; L574-H589 HydrophobicContact CG-CB 4.48Å
575	V	97.8	Very high	94.9	Very high	26 Å²	26	58 Å²	58	16%	0.158	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.1	167.5	176.7	0	0	0	0	108.3	V558 E559 K561 T584	V558-V575 WeakPolarHBondContact CA-O 3.37Å; E559-V575 HydrophobicContact CB-CB 4.34Å; E559-V575 PolarHBondContact N-O 2.7Å; E559-V575 PolarHBondContact O-N 3.01Å; K561-V575 HydrophobicContact CD-CG2 4.39Å; K561-V575 HydrophobicContact CG-CG2 3.64Å; V575-T584 HydrophobicContact CG1-CG2 4.37Å
576	L	97.8	Very high	95	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120	175.9	178.1	63.6	0	0	0	109.1	W516 V519 W520 Y556 V558 T584 R585 I587	W516-L576 HydrophobicContact CD2-CD1 4.16Å; W516-L576 HydrophobicContact CE3-CD1 3.71Å; W516-L576 HydrophobicContact CE3-CD2 3.82Å; W516-L576 HydrophobicContact CE3-CG 4.33Å; W516-L576 HydrophobicContact CZ3-CD1 4.26Å; W516-L576 HydrophobicContact CZ3-CD2 4.18Å; V519-L576 HydrophobicContact CB-CD2 4.46Å; V519-L576 HydrophobicContact CG1-CD2 3.9Å; W520-L576 HydrophobicContact CB-CD2 4.24Å; W520-L576 HydrophobicContact CE3-CD2 3.81Å; W520-L576 HydrophobicContact CE3-CG 3.91Å; W520-L576 HydrophobicContact CZ3-CG 4.38Å; Y556-L576 HydrophobicContact CD1-CD1 4.16Å; Y556-L576 HydrophobicContact CG-CD1 4.48Å; V558-L576 HydrophobicContact CG2-CD1 3.86Å; L576-T584 CarbonylContact O-C 3.58Å; L576-T584 VanDerWaalsContact O-CA 3.29Å; L576-T584 WeakPolarHBondContact O-CA 3.31Å; L576-R585 PolarHBondContact N-O 3.4Å; L576-R585 PolarHBondContact O-N 3.32Å; L576-I587 HydrophobicContact CB-CG1 3.81Å; L576-I587 HydrophobicContact CD2-CD1 4.46Å; L576-I587 HydrophobicContact CD2-CG1 4.37Å
577	T	97.6	Very high	95.3	Very high	24 Å²	24	53.6 Å²	53.6	15%	0.147	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.7	179.8	-57.5	0	0	0	0	109.9	Y556 T557 V579 Q583 T584	Y556-T577 WeakPolarHBondContact CA-O 3.47Å; T557-T577 PolarHBondContact N-O 2.95Å; T557-T577 PolarHBondContact O-N 2.92Å; T577-V579 PolarHBondContact O-N 3.46Å; T577-Q583 WeakPolarHBondContact CA-O 3.5Å; T577-T584 HydrophobicContact CG2-CG2 4.05Å; T577-T584 WeakPolarHBondContact OG1-CG2 3.09Å
578	F	96	Very high	95.6	Very high	27 Å²	27	49.2 Å²	49.2	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	104.8	167.9	-177.5	-127.7	0	0	0	109.2	W520 D555 Y556 P580 E581 K582 Q583	W520-F578 HydrophobicContact CD2-CB 3.94Å; W520-F578 VanDerWaalsContact CE2-CB 3.45Å; W520-F578 AromaticContact CE2-CG 3.96Å; W520-F578 HydrophobicContact CE3-CB 4.24Å; W520-F578 HydrophobicContact CH2-CB 3.73Å; W520-F578 HydrophobicContact CZ2-CB 3.37Å; W520-F578 HydrophobicContact CZ2-CD1 4.32Å; W520-F578 HydrophobicContact CZ2-CG 4.16Å; W520-F578 HydrophobicContact CZ3-CB 4.13Å; W520-F578 AromaticContact NE1-CD1 3.96Å; W520-F578 AromaticContact NE1-CG 3.87Å; D555-F578 HydrophobicContact CB-CD2 4.07Å; D555-F578 HydrophobicContact CB-CE2 3.67Å; Y556-F578 AromaticContact CD1-CD2 3.99Å; Y556-F578 HydrophobicContact CD1-CD2 3.99Å; Y556-F578 HydrophobicContact CE1-CB 4.37Å; Y556-F578 AromaticContact CE1-CD2 3.45Å; Y556-F578 HydrophobicContact CE1-CD2 3.45Å; Y556-F578 VanDerWaalsContact CE1-CD2 3.45Å; Y556-F578 HydrophobicContact CE1-CE2 4.12Å; Y556-F578 HydrophobicContact CE1-CG 4.24Å; Y556-F578 AromaticContact CZ-CD2 3.8Å; Y556-F578 AromaticContact CZ-CE2 3.98Å; F578-P580 HydrophobicContact CD2-CG 4.33Å; F578-P580 HydrophobicContact CE1-CB 4Å; F578-P580 HydrophobicContact CE1-CG 4.13Å; F578-P580 HydrophobicContact CE2-CG 3.76Å; F578-P580 HydrophobicContact CZ-CB 3.96Å; F578-P580 HydrophobicContact CZ-CG 3.64Å; F578-E581 HydrophobicContact CD1-CB 3.8Å; F578-E581 HydrophobicContact CD1-CG 3.74Å; F578-E581 HydrophobicContact CE1-CB 4.24Å; F578-E581 HydrophobicContact CE1-CG 3.66Å; F578-E581 WeakPolarHBondContact CE1-OE1 3.46Å; F578-E581 PolarHBondContact O-N 2.71Å; F578-K582 WeakPolarHBondContact O-CA 3.4Å; F578-K582 PolarHBondContact O-N 2.89Å; F578-Q583 PolarHBondContact N-O 2.87Å
579	V	92.6	Very high	95.9	Very high	70 Å²	70	47.7 Å²	47.7	42%	0.424	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-43.3	-169.3	177.4	0	0	0	0	113.1	D555 T557 T577 E581 K582	D555-V579 WeakPolarHBondContact O-CB 3.49Å; D555-V579 WeakPolarHBondContact O-CG2 3.3Å; D555-V579 PolarHBondContact O-N 2.79Å; T557-V579 WeakPolarHBondContact OG1-CG2 3.32Å; T577-V579 PolarHBondContact O-N 3.46Å; V579-E581 VanDerWaalsContact C-N 3.34Å; V579-E581 PolarHBondContact O-N 3.5Å; V579-K582 PolarHBondContact O-N 3.36Å
580	P	91.1	Very high	96	Very high	80 Å²	80	47.5 Å²	47.5	52%	0.519	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-36.8	-179	-26.6	37.2	0	0	0	114.4	D555 F578	D555-P580 HydrophobicContact CB-CG 4.1Å; F578-P580 HydrophobicContact CD2-CG 4.33Å; F578-P580 HydrophobicContact CE1-CB 4Å; F578-P580 HydrophobicContact CE1-CG 4.13Å; F578-P580 HydrophobicContact CE2-CG 3.76Å; F578-P580 HydrophobicContact CZ-CB 3.96Å; F578-P580 HydrophobicContact CZ-CG 3.64Å
581	E	90.9	Very high	96.1	Very high	113 Å²	113	47.3 Å²	47.3	53%	0.528	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-7.4	-177.8	-64.7	177.9	-159.8	0	0	113.5	F578 V579 Q583	F578-E581 HydrophobicContact CD1-CB 3.8Å; F578-E581 HydrophobicContact CD1-CG 3.74Å; F578-E581 HydrophobicContact CE1-CB 4.24Å; F578-E581 HydrophobicContact CE1-CG 3.66Å; F578-E581 WeakPolarHBondContact CE1-OE1 3.46Å; F578-E581 PolarHBondContact O-N 2.71Å; V579-E581 VanDerWaalsContact C-N 3.34Å; V579-E581 PolarHBondContact O-N 3.5Å; E581-Q583 HydrophobicContact CB-CG 4.12Å; E581-Q583 PolarHBondContact O-N 3.46Å; E581-Q583 VanDerWaalsContact O-N 3.12Å; E581-Q583 PolarHBondContact OE2-NE2 3.04Å
582	K	90.1	Very high	96.1	Very high	181 Å²	181	46.2 Å²	46.2	79%	0.787	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	27	-173.4	-56.3	-177.3	179.1	-177.9	0	113.6	F578 V579	F578-K582 WeakPolarHBondContact O-CA 3.4Å; F578-K582 PolarHBondContact O-N 2.89Å; V579-K582 PolarHBondContact O-N 3.36Å
583	Q	94.6	Very high	96.1	Very high	90 Å²	90	48.3 Å²	48.3	42%	0.421	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.5	173.2	-71.3	177.2	22.2	0	0	109.5	W520 T577 F578 E581	W520-Q583 HydrophobicContact CH2-CB 3.57Å; W520-Q583 VanDerWaalsContact CH2-O 3.24Å; W520-Q583 WeakPolarHBondContact CH2-O 3.31Å; W520-Q583 HydrophobicContact CZ2-CB 3.76Å; T577-Q583 WeakPolarHBondContact CA-O 3.5Å; F578-Q583 PolarHBondContact N-O 2.87Å; E581-Q583 HydrophobicContact CB-CG 4.12Å; E581-Q583 PolarHBondContact O-N 3.46Å; E581-Q583 VanDerWaalsContact O-N 3.12Å; E581-Q583 PolarHBondContact OE2-NE2 3.04Å
584	T	96.5	Very high	95.9	Very high	89 Å²	89	47.7 Å²	47.7	55%	0.546	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.6	-178.5	61.5	0	0	0	0	111.1	V575 L576 T577	V575-T584 HydrophobicContact CG1-CG2 4.37Å; L576-T584 CarbonylContact O-C 3.58Å; L576-T584 VanDerWaalsContact O-CA 3.29Å; L576-T584 WeakPolarHBondContact O-CA 3.31Å; T577-T584 HydrophobicContact CG2-CG2 4.05Å; T577-T584 WeakPolarHBondContact OG1-CG2 3.09Å
585	R	95.9	Very high	95.7	Very high	48 Å²	48	48.4 Å²	48.4	18%	0.181	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142	172.5	-64.8	179.8	-166.7	166.8	7.1	110.7	W520 L576 I587	W520-R585 HydrophobicContact CE3-CG 4.3Å; W520-R585 HydrophobicContact CH2-CG 4Å; W520-R585 HydrophobicContact CZ3-CB 4.08Å; W520-R585 HydrophobicContact CZ3-CG 3.6Å; W520-R585 PolarHBondContact O-NH1 2.81Å; L576-R585 PolarHBondContact N-O 3.4Å; L576-R585 PolarHBondContact O-N 3.32Å; R585-I587 HydrophobicContact CB-CD1 4.38Å
586	T	96.4	Very high	95.5	Very high	84 Å²	84	49.5 Å²	49.5	52%	0.515	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.6	174.8	-54.8	0	0	0	0	109.4	H525 L574	H525-T586 PolarHBondContact CD2-O 3.1Å; L574-T586 WeakPolarHBondContact O-CA 3.44Å
587	I	97.8	Very high	94.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.4	-179.6	-48.9	-63.9	0	0	0	108	V519 C524 H525 I527 L574 L576 R585	V519-I587 HydrophobicContact CG1-CD1 3.97Å; V519-I587 HydrophobicContact CG1-CG1 4.49Å; C524-I587 WeakPolarHBondContact O-CD1 3.47Å; H525-I587 WeakPolarHBondContact O-CA 2.96Å; I527-I587 HydrophobicContact CD1-CG2 3.66Å; I527-I587 HydrophobicContact CG1-CG2 3.86Å; L574-I587 WeakPolarHBondContact CA-O 3.2Å; L574-I587 HydrophobicContact CB-CB 4.24Å; L574-I587 PolarHBondContact N-O 3.16Å; L574-I587 PolarHBondContact O-N 3.01Å; L576-I587 HydrophobicContact CB-CG1 3.81Å; L576-I587 HydrophobicContact CD2-CD1 4.46Å; L576-I587 HydrophobicContact CD2-CG1 4.37Å; R585-I587 HydrophobicContact CB-CD1 4.38Å
588	R	97.9	Very high	94.2	Very high	62 Å²	62	59 Å²	59	23%	0.234	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121	173.4	-170.9	163	-84.8	175.5	-11.3	109.9	H525 S526 I527 L571 R572 D573 F590 Q617	H525-R588 PolarHBondContact O-N 3.4Å; S526-R588 WeakPolarHBondContact CA-O 3.39Å; I527-R588 PolarHBondContact N-O 3.46Å; L571-R588 HydrophobicContact CD1-CG 3.5Å; L571-R588 VanDerWaalsContact CD1-CG 3.5Å; L571-R588 HydrophobicContact CG-CG 4.04Å; R572-R588 WeakPolarHBondContact O-CA 3.34Å; D573-R588 IonicContact OD1-CZ 3.88Å; D573-R588 IonicContact OD1-NE 3.67Å; D573-R588 PolarHBondContact OD1-NE 3.3Å; D573-R588 IonicContact OD1-NH2 2.72Å; D573-R588 PolarHBondContact OD1-NH2 3.23Å; D573-R588 IonicContact OD2-NH2 2.94Å; R588-F590 HydrophobicContact CB-CE2 3.96Å; R588-F590 HydrophobicContact CB-CZ 4.3Å; R588-F590 HydrophobicContact CG-CD2 4.28Å; R588-F590 HydrophobicContact CG-CE1 4.25Å; R588-F590 HydrophobicContact CG-CE2 3.61Å; R588-F590 HydrophobicContact CG-CZ 3.59Å; R588-Q617 HydrophobicContact CB-CG 4.15Å
589	H	98.4	Very high	94	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.4	-179.9	179.7	-96.8	0	0	0	109.7	I527 Y544 L571 R572 L574	I527-H589 CarbonylContact O-C 3.42Å; I527-H589 WeakPolarHBondContact O-CA 3.26Å; Y544-H589 AromaticContact CE2-CD2 3.99Å; Y544-H589 AromaticContact CE2-NE2 3.93Å; Y544-H589 AromaticContact CZ-CD2 3.96Å; Y544-H589 AromaticContact CZ-NE2 3.51Å; Y544-H589 PolarHBondContact OH-CD2 2.91Å; Y544-H589 VanDerWaalsContact OH-CD2 3.25Å; Y544-H589 PolarHBondContact OH-NE2 3.34Å; L571-H589 CarbonylContact C-O 3.54Å; L571-H589 WeakPolarHBondContact CA-O 3.46Å; R572-H589 HydrophobicContact CB-CB 4.14Å; R572-H589 PolarHBondContact N-O 2.98Å; R572-H589 PolarHBondContact NH1-CE1 2.97Å; R572-H589 VanDerWaalsContact NH1-CE1 3.28Å; R572-H589 PolarHBondContact NH1-ND1 3.32Å; R572-H589 VanDerWaalsContact NH1-ND1 3.12Å; R572-H589 PolarHBondContact O-N 2.98Å; L574-H589 HydrophobicContact CD1-CB 3.93Å; L574-H589 HydrophobicContact CG-CB 4.48Å
590	F	98.6	Very high	94	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111	179.6	-56.8	-100.5	0	0	0	108.1	I527 V528 M529 F569 L571 R588 I610 V614 Q617	I527-F590 PolarHBondContact O-N 3.2Å; V528-F590 WeakPolarHBondContact CA-O 3.42Å; V528-F590 HydrophobicContact CG2-CB 4.47Å; V528-F590 HydrophobicContact CG2-CD2 4.42Å; M529-F590 PolarHBondContact N-O 3.01Å; F569-F590 HydrophobicContact CD2-CD1 4.48Å; F569-F590 HydrophobicContact CE2-CD1 4.2Å; L571-F590 HydrophobicContact CD1-CD1 3.26Å; L571-F590 HydrophobicContact CD1-CD2 4.45Å; L571-F590 HydrophobicContact CD1-CE1 3.25Å; L571-F590 HydrophobicContact CD1-CE2 4.45Å; L571-F590 HydrophobicContact CD1-CG 3.91Å; L571-F590 HydrophobicContact CD1-CZ 3.89Å; R588-F590 HydrophobicContact CB-CE2 3.96Å; R588-F590 HydrophobicContact CB-CZ 4.3Å; R588-F590 HydrophobicContact CG-CD2 4.28Å; R588-F590 HydrophobicContact CG-CE1 4.25Å; R588-F590 HydrophobicContact CG-CE2 3.61Å; R588-F590 HydrophobicContact CG-CZ 3.59Å; F590-I610 HydrophobicContact CB-CD1 3.95Å; F590-I610 HydrophobicContact CB-CG1 4.2Å; F590-I610 HydrophobicContact CD1-CG1 4.44Å; F590-V614 HydrophobicContact CB-CG2 4.47Å; F590-V614 HydrophobicContact CD1-CG2 3.88Å; F590-V614 HydrophobicContact CD2-CG2 3.78Å; F590-V614 HydrophobicContact CE1-CG2 3.96Å; F590-V614 HydrophobicContact CE2-CG2 3.87Å; F590-V614 HydrophobicContact CG-CG2 3.8Å; F590-V614 HydrophobicContact CZ-CB 4.49Å; F590-V614 HydrophobicContact CZ-CG2 3.96Å; F590-Q617 HydrophobicContact CE2-CB 4.38Å; F590-Q617 HydrophobicContact CE2-CG 4.38Å; F590-Q617 HydrophobicContact CZ-CB 3.84Å; F590-Q617 HydrophobicContact CZ-CG 4.25Å
591	H	98.4	Very high	94.1	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.023	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	103.3	-179.8	-171.2	-170.7	0	0	0	110.4	T531 E532 F569 S570 H593	T531-H591 PolarHBondContact O-NE2 3.26Å; E532-H591 IonicContact OE1-NE2 3.54Å; E532-H591 IonicContact OE2-CE1 2.84Å; E532-H591 PolarHBondContact OE2-CE1 2.96Å; E532-H591 IonicContact OE2-NE2 2.9Å; F569-H591 CarbonylContact C-O 3.55Å; F569-H591 WeakPolarHBondContact CA-O 3.32Å; F569-H591 WeakPolarHBondContact CB-O 3.33Å; S570-H591 PolarHBondContact N-O 3.41Å; S570-H591 PolarHBondContact O-N 3.04Å; H591-H593 AromaticContact CD2-CE1 3.97Å; H591-H593 AromaticContact CE1-CE1 3.49Å; H591-H593 PolarHBondContact CE1-CE1 2.86Å; H591-H593 VanDerWaalsContact CE1-CE1 3.49Å; H591-H593 AromaticContact CG-CE1 3.62Å; H591-H593 AromaticContact ND1-CE1 3.3Å; H591-H593 PolarHBondContact ND1-CE1 3.45Å; H591-H593 VanDerWaalsContact ND1-CE1 3.3Å; H591-H593 AromaticContact NE2-CE1 3.93Å; H591-H593 PolarHBondContact O-CD2 3.35Å; H591-H593 PolarHBondContact O-NE2 3.45Å
592	F	98	Very high	93.8	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.022	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120	-177.8	-170.9	-113.1	0	0	0	112.3	M529 L530 T568 F569 G594 W595 M607 I610	M529-F592 PolarHBondContact O-N 3.45Å; L530-F592 HydrophobicContact CD2-CB 3.91Å; L530-F592 HydrophobicContact CD2-CD1 4.39Å; L530-F592 HydrophobicContact CD2-CG 4.38Å; T568-F592 WeakPolarHBondContact O-CD2 3.41Å; F569-F592 HydrophobicContact CB-CD2 4.17Å; F592-G594 VanDerWaalsContact CE1-C 3.46Å; F592-W595 HydrophobicContact CD1-CB 4.14Å; F592-W595 HydrophobicContact CE1-CB 4.08Å; F592-W595 HydrophobicContact CE1-CE3 4.41Å; F592-M607 HydrophobicContact CD1-CE 4.27Å; F592-M607 HydrophobicContact CE1-CE 3.88Å; F592-M607 HydrophobicContact CZ-CE 4.23Å; F592-I610 HydrophobicContact CB-CD1 3.72Å; F592-I610 HydrophobicContact CD2-CB 4.35Å; F592-I610 HydrophobicContact CD2-CD1 4.03Å; F592-I610 HydrophobicContact CD2-CG2 3.99Å; F592-I610 HydrophobicContact CE2-CG2 4.26Å; F592-I610 HydrophobicContact CG-CD1 4.24Å
593	H	96.4	Very high	93.7	Very high	64 Å²	64	50.8 Å²	50.8	30%	0.296	28%	0.283	S	S	.	.			trans	-101	-10	-179.8	-57.3	-59.3	0	0	0	112.7	E532 T568 S570 H591 W595	E532-H593 IonicContact OE1-CE1 2.84Å; E532-H593 IonicContact OE1-CG 2.71Å; E532-H593 IonicContact OE1-ND1 2.72Å; E532-H593 PolarHBondContact OE1-ND1 3.28Å; E532-H593 IonicContact OE2-ND1 3.24Å; T568-H593 PolarHBondContact O-N 2.88Å; S570-H593 PolarHBondContact OG-NE2 3.28Å; H591-H593 AromaticContact CD2-CE1 3.97Å; H591-H593 AromaticContact CE1-CE1 3.49Å; H591-H593 PolarHBondContact CE1-CE1 2.86Å; H591-H593 VanDerWaalsContact CE1-CE1 3.49Å; H591-H593 AromaticContact CG-CE1 3.62Å; H591-H593 AromaticContact ND1-CE1 3.3Å; H591-H593 PolarHBondContact ND1-CE1 3.45Å; H591-H593 VanDerWaalsContact ND1-CE1 3.3Å; H591-H593 AromaticContact NE2-CE1 3.93Å; H591-H593 PolarHBondContact O-CD2 3.35Å; H591-H593 PolarHBondContact O-NE2 3.45Å; H593-W595 PolarHBondContact O-N 3.43Å
594	G	93.1	Very high	93.6	Very high	29 Å²	29	46.5 Å²	46.5	30%	0.299	26%	0.263	S	S	.	.			trans	-74.5	-0.9	-176.4	0	0	0	0	0	115.3	T568 F592	T568-G594 PolarHBondContact O-N 3.21Å; F592-G594 VanDerWaalsContact CE1-C 3.46Å
595	W	94.6	Very high	93.4	Very high	17 Å²	17	46 Å²	46	6%	0.064	25%	0.254	C	S	.	.	S	Bend	trans	-91.5	119.6	178.8	-152.6	-56.3	0	0	0	111.1	F592 H593 G599 I600 P601 M607 R636 T639 Q678	F592-W595 HydrophobicContact CD1-CB 4.14Å; F592-W595 HydrophobicContact CE1-CB 4.08Å; F592-W595 HydrophobicContact CE1-CE3 4.41Å; H593-W595 PolarHBondContact O-N 3.43Å; W595-G599 PolarHBondContact NE1-O 2.74Å; W595-I600 HydrophobicContact CZ2-CG2 4.25Å; W595-P601 HydrophobicContact CD2-CG 4.33Å; W595-P601 HydrophobicContact CG-CG 4.45Å; W595-M607 HydrophobicContact CE3-CE 3.99Å; W595-M607 HydrophobicContact CZ3-CE 3.8Å; W595-R636 VanDerWaalsContact CD1-CZ 3.44Å; W595-R636 HydrophobicContact CD2-CB 4.32Å; W595-R636 HydrophobicContact CD2-CG 3.67Å; W595-R636 HydrophobicContact CE3-CB 3.94Å; W595-R636 HydrophobicContact CE3-CG 3.81Å; W595-R636 HydrophobicContact CG-CG 4.38Å; W595-R636 HydrophobicContact CH2-CB 3.9Å; W595-R636 HydrophobicContact CH2-CG 3.76Å; W595-R636 HydrophobicContact CZ2-CB 4.3Å; W595-R636 HydrophobicContact CZ2-CG 3.63Å; W595-R636 HydrophobicContact CZ3-CB 3.7Å; W595-R636 HydrophobicContact CZ3-CG 3.85Å; W595-T639 HydrophobicContact CH2-CG2 3.81Å; W595-T639 HydrophobicContact CZ3-CG2 4.21Å; W595-Q678 HydrophobicContact CH2-CG 4.39Å; W595-Q678 HydrophobicContact CZ2-CG 3.98Å
596	P	92.4	Very high	93.3	Very high	48 Å²	48	44.2 Å²	44.2	31%	0.312	25%	0.25	S	C	.	.			trans	-70.3	157.9	-179.2	29.1	-35.7	0	0	0	112.9	I598 I600 R636	P596-I598 VanDerWaalsContact CG-O 3.32Å; P596-I598 WeakPolarHBondContact CG-O 3.31Å; P596-I598 PolarHBondContact O-N 2.9Å; P596-I600 VanDerWaalsContact CG-C 3.49Å; P596-I600 WeakPolarHBondContact CG-O 3.43Å; P596-R636 PolarHBondContact O-NH2 3.29Å
597	E	84.6	Confident	93.3	Very high	103 Å²	103	40.2 Å²	40.2	48%	0.481	23%	0.225	S	C	.	.	S	Bend	trans	-62.9	-24.8	173.6	-63.6	-164.7	143.8	0	0	113	E535 R536	E535-E597 HydrophobicContact CB-CG 4.36Å; R536-E597 HydrophobicContact CG-CB 4.18Å; R536-E597 WeakPolarHBondContact CG-OE2 3.34Å; R536-E597 PolarHBondContact N-OE1 2.92Å; R536-E597 PolarHBondContact NE-O 2.99Å; R536-E597 PolarHBondContact NH2-O 2.82Å
598	I	84.8	Confident	93.3	Very high	120 Å²	120	40.4 Å²	40.4	62%	0.615	23%	0.226	S	C	*	.	S	Bend	trans	-125.9	127.1	178.5	-37	-147.6	0	0	0	109.1	R536 P596	R536-I598 VanDerWaalsContact NH2-CA 3.33Å; P596-I598 VanDerWaalsContact CG-O 3.32Å; P596-I598 WeakPolarHBondContact CG-O 3.31Å; P596-I598 PolarHBondContact O-N 2.9Å
599	G	90.4	Very high	93.2	Very high	30 Å²	30	39.6 Å²	39.6	31%	0.309	23%	0.227	S	C	.	.	S	Bend	trans	76.8	-136.2	175.4	0	0	0	0	0	113.7	W595	W595-G599 PolarHBondContact NE1-O 2.74Å
600	I	93.6	Very high	93.1	Very high	30 Å²	30	39.6 Å²	39.6	15%	0.154	23%	0.227	C	C	.	.			trans	-129.8	157.4	-171.1	54.6	174.6	0	0	0	110.3	W595 P596 E677 Q678 F681	W595-I600 HydrophobicContact CZ2-CG2 4.25Å; P596-I600 VanDerWaalsContact CG-C 3.49Å; P596-I600 WeakPolarHBondContact CG-O 3.43Å; I600-E677 HydrophobicContact CD1-CB 4.25Å; I600-E677 WeakPolarHBondContact CD1-O 3.4Å; I600-E677 HydrophobicContact CG2-CB 3.93Å; I600-Q678 HydrophobicContact CG2-CG 4.22Å; I600-F681 HydrophobicContact CB-CB 4.24Å; I600-F681 HydrophobicContact CB-CD2 4.28Å; I600-F681 HydrophobicContact CB-CG 4.22Å; I600-F681 HydrophobicContact CD1-CB 3.87Å; I600-F681 HydrophobicContact CD1-CD2 4.2Å; I600-F681 HydrophobicContact CD1-CG 4.38Å; I600-F681 HydrophobicContact CG2-CB 4.15Å
601	P	92.9	Very high	93	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.058	23%	0.227	C	C	.	.			trans	-53.2	146.4	172.8	-21.9	31.7	0	0	0	111.5	W595 F681 R684	W595-P601 HydrophobicContact CD2-CG 4.33Å; W595-P601 HydrophobicContact CG-CG 4.45Å; P601-F681 HydrophobicContact CB-CE2 3.78Å; P601-F681 HydrophobicContact CB-CZ 3.63Å; P601-F681 HydrophobicContact CG-CE1 3.92Å; P601-F681 HydrophobicContact CG-CE2 4.03Å; P601-F681 HydrophobicContact CG-CZ 3.51Å; P601-F681 WeakPolarHBondContact O-CE2 3.34Å; P601-R684 PolarHBondContact O-NH2 3.49Å
602	A	85.2	Confident	92.9	Very high	91 Å²	91	40.1 Å²	40.1	75%	0.752	23%	0.232	S	C	*	.	S	Bend	trans	-68.5	-41.5	177.4	0	0	0	0	0	111.4	R684	A602-R684 PolarHBondContact O-NH2 2.77Å
603	E	87.2	Confident	92.8	Very high	139 Å²	139	40.8 Å²	40.8	65%	0.65	24%	0.237	S	C	*	.			trans	-120.2	150.7	-177.1	-62.5	175.1	-169.4	0	0	111.1
604	G	92	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-84.4	-14.7	179.3	0	0	0	0	0	115.1	G606 M607 I608 D688	G604-G606 VanDerWaalsContact C-N 3.35Å; G604-G606 PolarHBondContact O-N 3.48Å; G604-M607 WeakPolarHBondContact O-CA 3.43Å; G604-M607 WeakPolarHBondContact O-CB 3.44Å; G604-M607 PolarHBondContact O-N 3.18Å; G604-I608 WeakPolarHBondContact O-CG1 3.25Å; G604-I608 PolarHBondContact O-N 3.46Å; G604-D688 WeakPolarHBondContact CA-OD2 3.46Å; G604-D688 PolarHBondContact N-OD2 3.35Å
605	K	92.9	Very high	92.8	Very high	80 Å²	80	37.8 Å²	37.8	35%	0.348	22%	0.216	S	C	.	.	H	α-helix	trans	-50.5	-49.1	-175.5	-178.4	-177.2	176	-67.3	0	113.1	E567 M607 I608 D609	E567-K605 IonicContact OE2-NZ 2.65Å; E567-K605 PolarHBondContact OE2-NZ 3.01Å; K605-M607 VanDerWaalsContact C-N 3.28Å; K605-M607 PolarHBondContact O-N 2.76Å; K605-I608 WeakPolarHBondContact O-CB 3.2Å; K605-I608 PolarHBondContact O-N 3.32Å; K605-I608 VanDerWaalsContact O-N 3.14Å; K605-D609 IonicContact NZ-OD2 3.8Å; K605-D609 PolarHBondContact NZ-OD2 3.39Å; K605-D609 VanDerWaalsContact O-CG 3.31Å; K605-D609 PolarHBondContact O-N 3.47Å
606	G	94.2	Very high	92.8	Very high	9 Å²	9	43.4 Å²	43.4	9%	0.093	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-37.6	179.7	0	0	0	0	0	113.3	T568 G604 D609 I610	T568-G606 WeakPolarHBondContact OG1-CA 3.48Å; G604-G606 VanDerWaalsContact C-N 3.35Å; G604-G606 PolarHBondContact O-N 3.48Å; G606-D609 PolarHBondContact O-N 2.93Å; G606-I610 WeakPolarHBondContact O-CG2 3.37Å; G606-I610 PolarHBondContact O-N 3.05Å; G606-I610 VanDerWaalsContact O-N 3.16Å
607	M	96.8	Very high	92.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-39.4	176.4	-173.1	57.3	66.4	0	0	111.6	F592 W595 G604 K605 I610 I611 F640 L643 F681 V685	F592-M607 HydrophobicContact CD1-CE 4.27Å; F592-M607 HydrophobicContact CE1-CE 3.88Å; F592-M607 HydrophobicContact CZ-CE 4.23Å; W595-M607 HydrophobicContact CE3-CE 3.99Å; W595-M607 HydrophobicContact CZ3-CE 3.8Å; G604-M607 WeakPolarHBondContact O-CA 3.43Å; G604-M607 WeakPolarHBondContact O-CB 3.44Å; G604-M607 PolarHBondContact O-N 3.18Å; K605-M607 VanDerWaalsContact C-N 3.28Å; K605-M607 PolarHBondContact O-N 2.76Å; M607-I610 VanDerWaalsContact O-CG2 3.22Å; M607-I610 WeakPolarHBondContact O-CG2 3.29Å; M607-I610 HydrophobicContact SD-CG2 4.09Å; M607-I611 HydrophobicContact CG-CD1 3.97Å; M607-I611 WeakPolarHBondContact O-CB 3.49Å; M607-I611 WeakPolarHBondContact O-CD1 3.36Å; M607-I611 VanDerWaalsContact O-CG1 3.23Å; M607-I611 WeakPolarHBondContact O-CG1 3.39Å; M607-I611 PolarHBondContact O-N 3.41Å; M607-I611 VanDerWaalsContact O-N 3.09Å; M607-I611 HydrophobicContact SD-CD1 4.21Å; M607-I611 HydrophobicContact SD-CG1 4.45Å; M607-F640 HydrophobicContact SD-CD2 3.75Å; M607-L643 HydrophobicContact CG-CD1 3.6Å; M607-F681 HydrophobicContact CB-CE1 4.44Å; M607-F681 HydrophobicContact CB-CZ 4.44Å; M607-F681 HydrophobicContact CE-CE1 4.39Å; M607-F681 HydrophobicContact CG-CE1 4.47Å; M607-V685 HydrophobicContact CB-CG2 4.47Å
608	I	96.3	Very high	93.3	Very high	5 Å²	5	37 Å²	37	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-45.1	174.5	-64.5	165	0	0	0	110.4	G604 K605 I611 A612 L647 V685 D688 F689 I692 Y693	G604-I608 WeakPolarHBondContact O-CG1 3.25Å; G604-I608 PolarHBondContact O-N 3.46Å; K605-I608 WeakPolarHBondContact O-CB 3.2Å; K605-I608 PolarHBondContact O-N 3.32Å; K605-I608 VanDerWaalsContact O-N 3.14Å; I608-I611 PolarHBondContact O-N 2.97Å; I608-A612 WeakPolarHBondContact O-CB 3.45Å; I608-A612 PolarHBondContact O-N 3.33Å; I608-L647 HydrophobicContact CG1-CD1 4.33Å; I608-V685 HydrophobicContact CD1-CG1 4.28Å; I608-V685 HydrophobicContact CG1-CG1 3.79Å; I608-D688 HydrophobicContact CD1-CB 4.14Å; I608-F689 HydrophobicContact CD1-CB 3.8Å; I608-F689 HydrophobicContact CD1-CD2 4.33Å; I608-F689 HydrophobicContact CG1-CB 4.36Å; I608-F689 HydrophobicContact CG1-CD2 4.39Å; I608-F689 HydrophobicContact CG2-CD2 3.88Å; I608-F689 HydrophobicContact CG2-CE2 4.43Å; I608-I692 HydrophobicContact CD1-CD1 3.99Å; I608-Y693 HydrophobicContact CG2-CE2 4.38Å
609	D	95.3	Very high	93.5	Very high	45 Å²	45	38.4 Å²	38.4	24%	0.241	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-43.1	-177	-72.7	-22.5	0	0	0	112.4	F569 K605 G606 S613	F569-D609 HydrophobicContact CE1-CB 4.31Å; K605-D609 IonicContact NZ-OD2 3.8Å; K605-D609 PolarHBondContact NZ-OD2 3.39Å; K605-D609 VanDerWaalsContact O-CG 3.31Å; K605-D609 PolarHBondContact O-N 3.47Å; G606-D609 PolarHBondContact O-N 2.93Å; D609-S613 WeakPolarHBondContact O-CB 3.5Å; D609-S613 PolarHBondContact O-N 2.98Å; D609-S613 PolarHBondContact O-OG 3.31Å
610	I	97.3	Very high	93.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-42	175.9	-170.8	173.7	0	0	0	111.6	V528 F569 F590 F592 G606 M607 A612 S613 V614 F640	V528-I610 HydrophobicContact CG1-CD1 4.15Å; F569-I610 HydrophobicContact CB-CD1 4.13Å; F569-I610 HydrophobicContact CD1-CB 3.83Å; F569-I610 HydrophobicContact CD1-CG1 4.28Å; F569-I610 HydrophobicContact CD2-CG1 4.43Å; F569-I610 HydrophobicContact CE1-CB 4Å; F569-I610 HydrophobicContact CG-CB 4.27Å; F569-I610 HydrophobicContact CG-CD1 4.21Å; F569-I610 HydrophobicContact CG-CG1 4.22Å; F590-I610 HydrophobicContact CB-CD1 3.95Å; F590-I610 HydrophobicContact CB-CG1 4.2Å; F590-I610 HydrophobicContact CD1-CG1 4.44Å; F592-I610 HydrophobicContact CB-CD1 3.72Å; F592-I610 HydrophobicContact CD2-CB 4.35Å; F592-I610 HydrophobicContact CD2-CD1 4.03Å; F592-I610 HydrophobicContact CD2-CG2 3.99Å; F592-I610 HydrophobicContact CE2-CG2 4.26Å; F592-I610 HydrophobicContact CG-CD1 4.24Å; G606-I610 WeakPolarHBondContact O-CG2 3.37Å; G606-I610 PolarHBondContact O-N 3.05Å; G606-I610 VanDerWaalsContact O-N 3.16Å; M607-I610 VanDerWaalsContact O-CG2 3.22Å; M607-I610 WeakPolarHBondContact O-CG2 3.29Å; M607-I610 HydrophobicContact SD-CG2 4.09Å; I610-A612 VanDerWaalsContact C-N 3.33Å; I610-A612 PolarHBondContact O-N 2.97Å; I610-S613 PolarHBondContact O-N 3.35Å; I610-S613 VanDerWaalsContact O-N 3.15Å; I610-V614 HydrophobicContact CG1-CG2 4.38Å; I610-V614 WeakPolarHBondContact O-CG2 3.41Å; I610-V614 PolarHBondContact O-N 2.98Å; I610-F640 HydrophobicContact CG2-CE2 4.22Å
611	I	97.1	Very high	93.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-46.1	175.6	-71.6	168.3	0	0	0	110.1	M607 I608 S613 V614 Q615 F640 L643 L647	M607-I611 HydrophobicContact CG-CD1 3.97Å; M607-I611 WeakPolarHBondContact O-CB 3.49Å; M607-I611 WeakPolarHBondContact O-CD1 3.36Å; M607-I611 VanDerWaalsContact O-CG1 3.23Å; M607-I611 WeakPolarHBondContact O-CG1 3.39Å; M607-I611 PolarHBondContact O-N 3.41Å; M607-I611 VanDerWaalsContact O-N 3.09Å; M607-I611 HydrophobicContact SD-CD1 4.21Å; M607-I611 HydrophobicContact SD-CG1 4.45Å; I608-I611 PolarHBondContact O-N 2.97Å; I611-S613 VanDerWaalsContact C-N 3.3Å; I611-S613 PolarHBondContact O-N 3.07Å; I611-V614 PolarHBondContact O-N 3.21Å; I611-Q615 HydrophobicContact CG2-CG 4.38Å; I611-Q615 WeakPolarHBondContact O-CB 3.44Å; I611-Q615 VanDerWaalsContact O-CG 3.31Å; I611-Q615 WeakPolarHBondContact O-CG 3.47Å; I611-Q615 PolarHBondContact O-N 2.7Å; I611-F640 HydrophobicContact CG1-CD2 4.01Å; I611-F640 HydrophobicContact CG1-CE2 3.56Å; I611-F640 HydrophobicContact CG1-CZ 4.07Å; I611-L643 HydrophobicContact CD1-CB 3.64Å; I611-L647 HydrophobicContact CD1-CD1 4.02Å
612	A	95.2	Very high	92.9	Very high	16 Å²	16	45.8 Å²	45.8	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-38.6	177.2	0	0	0	0	0	112.1	I608 I610 Q615 R616	I608-A612 WeakPolarHBondContact O-CB 3.45Å; I608-A612 PolarHBondContact O-N 3.33Å; I610-A612 VanDerWaalsContact C-N 3.33Å; I610-A612 PolarHBondContact O-N 2.97Å; A612-Q615 PolarHBondContact O-N 3.48Å; A612-R616 WeakPolarHBondContact O-CG 3.43Å; A612-R616 PolarHBondContact O-N 2.96Å
613	S	95.8	Very high	93.1	Very high	19 Å²	19	44.5 Å²	44.5	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-40.9	177.7	-58.8	0	0	0	0	112.5	F569 D609 I610 I611 R616 Q617	F569-S613 WeakPolarHBondContact CZ-OG 3.22Å; D609-S613 WeakPolarHBondContact O-CB 3.5Å; D609-S613 PolarHBondContact O-N 2.98Å; D609-S613 PolarHBondContact O-OG 3.31Å; I610-S613 PolarHBondContact O-N 3.35Å; I610-S613 VanDerWaalsContact O-N 3.15Å; I611-S613 VanDerWaalsContact C-N 3.3Å; I611-S613 PolarHBondContact O-N 3.07Å; S613-R616 PolarHBondContact O-N 3.34Å; S613-R616 PolarHBondContact OG-NH2 2.85Å; S613-Q617 PolarHBondContact O-N 3.13Å; S613-Q617 VanDerWaalsContact O-N 3.11Å
614	V	97.1	Very high	93.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-44.7	174.1	173.3	0	0	0	0	110.6	V528 F590 I610 I611 R616 Q617 Q618 I626 F640	V528-V614 HydrophobicContact CG2-CG1 4.37Å; V528-V614 HydrophobicContact CG2-CG2 3.64Å; F590-V614 HydrophobicContact CB-CG2 4.47Å; F590-V614 HydrophobicContact CD1-CG2 3.88Å; F590-V614 HydrophobicContact CD2-CG2 3.78Å; F590-V614 HydrophobicContact CE1-CG2 3.96Å; F590-V614 HydrophobicContact CE2-CG2 3.87Å; F590-V614 HydrophobicContact CG-CG2 3.8Å; F590-V614 HydrophobicContact CZ-CB 4.49Å; F590-V614 HydrophobicContact CZ-CG2 3.96Å; I610-V614 HydrophobicContact CG1-CG2 4.38Å; I610-V614 WeakPolarHBondContact O-CG2 3.41Å; I610-V614 PolarHBondContact O-N 2.98Å; I611-V614 PolarHBondContact O-N 3.21Å; V614-R616 VanDerWaalsContact C-N 3.32Å; V614-R616 PolarHBondContact O-N 3.3Å; V614-Q617 WeakPolarHBondContact O-CB 3.02Å; V614-Q617 PolarHBondContact O-N 2.77Å; V614-Q617 VanDerWaalsContact O-N 3.13Å; V614-Q618 HydrophobicContact CG1-CG 4.4Å; V614-Q618 VanDerWaalsContact O-CG 3.31Å; V614-Q618 WeakPolarHBondContact O-CG 3.46Å; V614-Q618 PolarHBondContact O-N 2.77Å; V614-I626 HydrophobicContact CG1-CD1 3.9Å; V614-I626 HydrophobicContact CG1-CG1 4.35Å; V614-I626 HydrophobicContact CG1-CG2 4.05Å; V614-F640 HydrophobicContact CB-CZ 4.44Å; V614-F640 HydrophobicContact CG1-CZ 4.48Å; V614-F640 HydrophobicContact CG2-CZ 4.15Å
615	Q	94	Very high	93.7	Very high	28 Å²	28	41.6 Å²	41.6	13%	0.131	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-41.9	176.6	-74.8	176.7	-11.5	0	0	112	I611 A612 Q617 Q618 Q619	I611-Q615 HydrophobicContact CG2-CG 4.38Å; I611-Q615 WeakPolarHBondContact O-CB 3.44Å; I611-Q615 VanDerWaalsContact O-CG 3.31Å; I611-Q615 WeakPolarHBondContact O-CG 3.47Å; I611-Q615 PolarHBondContact O-N 2.7Å; A612-Q615 PolarHBondContact O-N 3.48Å; Q615-Q617 PolarHBondContact O-N 3.27Å; Q615-Q618 PolarHBondContact O-N 2.71Å; Q615-Q619 WeakPolarHBondContact O-CG 3.23Å; Q615-Q619 PolarHBondContact O-N 3.08Å
616	R	93.7	Very high	94	Very high	134 Å²	134	37.9 Å²	37.9	51%	0.506	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-42	174.3	-75.5	-172.1	-64	-98.7	3.2	112.5	A612 S613 V614 Q620	A612-R616 WeakPolarHBondContact O-CG 3.43Å; A612-R616 PolarHBondContact O-N 2.96Å; S613-R616 PolarHBondContact O-N 3.34Å; S613-R616 PolarHBondContact OG-NH2 2.85Å; V614-R616 VanDerWaalsContact C-N 3.32Å; V614-R616 PolarHBondContact O-N 3.3Å; R616-Q620 WeakPolarHBondContact O-CG 3.45Å; R616-Q620 PolarHBondContact O-N 2.82Å
617	Q	94.4	Very high	94.2	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-45.1	176.2	173	61.9	20.2	0	0	111.4	S526 R588 F590 S613 V614 Q615 Q619 Q620 S621	S526-Q617 WeakPolarHBondContact OG-CG 3.32Å; R588-Q617 HydrophobicContact CB-CG 4.15Å; F590-Q617 HydrophobicContact CE2-CB 4.38Å; F590-Q617 HydrophobicContact CE2-CG 4.38Å; F590-Q617 HydrophobicContact CZ-CB 3.84Å; F590-Q617 HydrophobicContact CZ-CG 4.25Å; S613-Q617 PolarHBondContact O-N 3.13Å; S613-Q617 VanDerWaalsContact O-N 3.11Å; V614-Q617 WeakPolarHBondContact O-CB 3.02Å; V614-Q617 PolarHBondContact O-N 2.77Å; V614-Q617 VanDerWaalsContact O-N 3.13Å; Q615-Q617 PolarHBondContact O-N 3.27Å; Q617-Q619 VanDerWaalsContact C-N 3.33Å; Q617-Q619 PolarHBondContact O-N 2.77Å; Q617-Q620 WeakPolarHBondContact O-CB 3.4Å; Q617-Q620 PolarHBondContact O-N 2.95Å; Q617-S621 PolarHBondContact O-N 3.35Å; Q617-S621 PolarHBondContact O-OG 3.43Å; Q617-S621 VanDerWaalsContact O-OG 3.12Å
618	Q	92.7	Very high	94.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-40.9	-177.9	-71.9	-67.5	111	0	0	113.1	S526 V614 Q615 Q620 S621 G622 N623 H624 I626	S526-Q618 PolarHBondContact OG-OE1 3.3Å; V614-Q618 HydrophobicContact CG1-CG 4.4Å; V614-Q618 VanDerWaalsContact O-CG 3.31Å; V614-Q618 WeakPolarHBondContact O-CG 3.46Å; V614-Q618 PolarHBondContact O-N 2.77Å; Q615-Q618 PolarHBondContact O-N 2.71Å; Q618-Q620 PolarHBondContact O-N 3.3Å; Q618-S621 PolarHBondContact O-N 3.38Å; Q618-G622 PolarHBondContact O-N 3.41Å; Q618-N623 VanDerWaalsContact C-OD1 3.31Å; Q618-N623 PolarHBondContact O-N 3.01Å; Q618-N623 VanDerWaalsContact O-N 3.07Å; Q618-N623 PolarHBondContact O-OD1 3.45Å; Q618-N623 VanDerWaalsContact O-OD1 3.09Å; Q618-H624 PolarHBondContact NE2-O 2.78Å; Q618-I626 HydrophobicContact CG-CD1 3.75Å; Q618-I626 HydrophobicContact CG-CG1 3.78Å
619	Q	89.5	Confident	94.4	Very high	150 Å²	150	37.2 Å²	37.2	70%	0.701	20%	0.195	S	C	*	.	H	α-helix	trans	-60.2	-30.1	174.7	-70.6	173.2	1.3	0	0	112.5	Q615 Q617	Q615-Q619 WeakPolarHBondContact O-CG 3.23Å; Q615-Q619 PolarHBondContact O-N 3.08Å; Q617-Q619 VanDerWaalsContact C-N 3.33Å; Q617-Q619 PolarHBondContact O-N 2.77Å
620	Q	90.2	Very high	94.5	Very high	148 Å²	148	35.5 Å²	35.5	69%	0.692	19%	0.187	S	C	*	.	H	α-helix	trans	-88.5	-24.5	179.3	-64.6	172.9	-3.4	0	0	112.8	R616 Q617 Q618	R616-Q620 WeakPolarHBondContact O-CG 3.45Å; R616-Q620 PolarHBondContact O-N 2.82Å; Q617-Q620 WeakPolarHBondContact O-CB 3.4Å; Q617-Q620 PolarHBondContact O-N 2.95Å; Q618-Q620 PolarHBondContact O-N 3.3Å
621	S	88.6	Confident	94.5	Very high	19 Å²	19	36.7 Å²	36.7	13%	0.133	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	17	-173.8	70.4	0	0	0	0	114.3	Q617 Q618 H624	Q617-S621 PolarHBondContact O-N 3.35Å; Q617-S621 PolarHBondContact O-OG 3.43Å; Q617-S621 VanDerWaalsContact O-OG 3.12Å; Q618-S621 PolarHBondContact O-N 3.38Å; S621-H624 PolarHBondContact O-CD2 3.32Å
622	G	85.9	Confident	94.5	Very high	56 Å²	56	37.2 Å²	37.2	58%	0.577	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	23	172.6	0	0	0	0	0	115.8	Q618 H624	Q618-G622 PolarHBondContact O-N 3.41Å; G622-H624 VanDerWaalsContact C-N 3.29Å; G622-H624 PolarHBondContact O-N 3.23Å
623	N	88.8	Confident	94.7	Very high	65 Å²	65	36.5 Å²	36.5	35%	0.348	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.5	173.6	-60.9	-36.4	0	0	0	115.4	Q497 Y500 Q618	Q497-N623 PolarHBondContact NE2-O 3.25Å; Q497-N623 VanDerWaalsContact NE2-O 3.1Å; Q497-N623 PolarHBondContact OE1-O 3Å; Y500-N623 HydrophobicContact CE2-CB 4.25Å; Q618-N623 VanDerWaalsContact C-OD1 3.31Å; Q618-N623 PolarHBondContact O-N 3.01Å; Q618-N623 VanDerWaalsContact O-N 3.07Å; Q618-N623 PolarHBondContact O-OD1 3.45Å; Q618-N623 VanDerWaalsContact O-OD1 3.09Å
624	H	94.4	Very high	94.7	Very high	61 Å²	61	35.6 Å²	35.6	28%	0.282	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-67.9	162.1	169.3	-68.8	-64.8	0	0	0	112.2	K523 H525 Q618 S621 G622 I626	K523-H624 WeakPolarHBondContact O-CB 3.44Å; K523-H624 VanDerWaalsContact O-CG 3.25Å; H525-H624 AromaticContact CE1-CD2 3.28Å; H525-H624 PolarHBondContact CE1-CD2 3.25Å; H525-H624 AromaticContact CE1-NE2 3.86Å; H525-H624 AromaticContact ND1-CD2 3.28Å; H525-H624 PolarHBondContact ND1-CD2 3.36Å; H525-H624 VanDerWaalsContact ND1-CD2 3.28Å; H525-H624 AromaticContact ND1-CG 3.81Å; Q618-H624 PolarHBondContact NE2-O 2.78Å; S621-H624 PolarHBondContact O-CD2 3.32Å; G622-H624 VanDerWaalsContact C-N 3.29Å; G622-H624 PolarHBondContact O-N 3.23Å; H624-I626 PolarHBondContact O-N 3.39Å
625	P	97.4	Very high	94.8	Very high	17 Å²	17	35.7 Å²	35.7	11%	0.11	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-55.3	136.2	-177.2	-25.5	33.9	0	0	0	113.7	F491 D499 Y500 I502 C524	F491-P625 HydrophobicContact CE1-CG 4.43Å; D499-P625 WeakPolarHBondContact O-CG 3.31Å; Y500-P625 CarbonylContact O-C 3.59Å; Y500-P625 WeakPolarHBondContact O-CA 3.31Å; I502-P625 HydrophobicContact CD1-CB 4.05Å; I502-P625 HydrophobicContact CG1-CB 3.97Å; C524-P625 WeakPolarHBondContact CB-O 3.33Å; C524-P625 PolarHBondContact SG-O 3.09Å
626	I	98.7	Very high	95	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.9	176.3	-55.7	158.9	0	0	0	108.6	Y500 F501 I502 V528 V614 Q618 H624 V628	Y500-I626 HydrophobicContact CD1-CD1 4.28Å; Y500-I626 HydrophobicContact CE1-CD1 3.7Å; Y500-I626 PolarHBondContact O-N 3.32Å; F501-I626 CarbonylContact C-O 3.54Å; F501-I626 WeakPolarHBondContact CA-O 3.44Å; F501-I626 HydrophobicContact CD1-CB 3.87Å; F501-I626 HydrophobicContact CD1-CD1 3.88Å; F501-I626 HydrophobicContact CD1-CG1 4.44Å; F501-I626 HydrophobicContact CD1-CG2 4.37Å; F501-I626 HydrophobicContact CE1-CB 4.39Å; F501-I626 HydrophobicContact CE1-CD1 3.55Å; F501-I626 HydrophobicContact CZ-CD1 4.38Å; I502-I626 PolarHBondContact N-O 2.95Å; V528-I626 HydrophobicContact CG2-CG2 3.97Å; V614-I626 HydrophobicContact CG1-CD1 3.9Å; V614-I626 HydrophobicContact CG1-CG1 4.35Å; V614-I626 HydrophobicContact CG1-CG2 4.05Å; Q618-I626 HydrophobicContact CG-CD1 3.75Å; Q618-I626 HydrophobicContact CG-CG1 3.78Å; H624-I626 PolarHBondContact O-N 3.39Å; I626-V628 HydrophobicContact CG2-CG2 3.88Å; I626-V628 PolarHBondContact O-N 2.76Å
627	V	98.9	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.9	174	180	0	0	0	0	108.8	I502 T504 F515 M518 V519 C524 S526 I527 V528	I502-V627 HydrophobicContact CB-CG2 4.28Å; I502-V627 HydrophobicContact CD1-CG2 4.39Å; T504-V627 HydrophobicContact CG2-CG1 3.69Å; F515-V627 HydrophobicContact CE2-CG1 3.79Å; F515-V627 HydrophobicContact CZ-CG1 4.01Å; M518-V627 HydrophobicContact CE-CG1 3.96Å; M518-V627 HydrophobicContact CE-CG2 4.12Å; V519-V627 HydrophobicContact CG2-CG2 4.18Å; C524-V627 HydrophobicContact CB-CG2 3.75Å; S526-V627 PolarHBondContact O-N 3.09Å; I527-V627 CarbonylContact C-O 3.52Å; I527-V627 WeakPolarHBondContact CA-O 3.48Å; I527-V627 HydrophobicContact CG1-CB 4.22Å; I527-V627 HydrophobicContact CG2-CB 4.45Å; I527-V627 HydrophobicContact CG2-CG1 4.39Å; V528-V627 PolarHBondContact N-O 3.28Å
628	V	98.9	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.5	178.6	-171.9	0	0	0	0	108.8	F501 I502 T504 V528 L530 I626 T637 F640 I641	F501-V628 HydrophobicContact CD1-CG2 3.92Å; I502-V628 PolarHBondContact O-N 3.32Å; T504-V628 PolarHBondContact N-O 3.23Å; V528-V628 HydrophobicContact CB-CG1 4.26Å; V528-V628 HydrophobicContact CB-CG2 4.31Å; V528-V628 HydrophobicContact CG1-CG1 4.47Å; V528-V628 HydrophobicContact CG2-CG2 4.49Å; L530-V628 HydrophobicContact CD1-CG1 3.76Å; I626-V628 HydrophobicContact CG2-CG2 3.88Å; I626-V628 PolarHBondContact O-N 2.76Å; V628-T637 HydrophobicContact CB-CG2 4.13Å; V628-T637 HydrophobicContact CG1-CG2 3.89Å; V628-T637 WeakPolarHBondContact O-CG2 3.42Å; V628-F640 HydrophobicContact CB-CD1 4.48Å; V628-F640 HydrophobicContact CG1-CB 4.29Å; V628-F640 HydrophobicContact CG1-CD1 3.69Å; V628-F640 HydrophobicContact CG1-CE1 4.39Å; V628-F640 HydrophobicContact CG1-CG 4.18Å; V628-F640 HydrophobicContact CG2-CD1 3.9Å; V628-F640 HydrophobicContact CG2-CE1 3.91Å; V628-I641 HydrophobicContact CB-CD1 4.21Å; V628-I641 HydrophobicContact CB-CG1 4.32Å; V628-I641 HydrophobicContact CG1-CG1 4.36Å; V628-I641 HydrophobicContact CG2-CD1 4.34Å; V628-I641 HydrophobicContact CG2-CG1 4.13Å
629	H	98.8	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.3	178.8	83.1	87.9	0	0	0	112.9	T504 V528 M529 L530 Y544 T637	T504-H629 HydrophobicContact CG2-CB 3.65Å; T504-H629 VanDerWaalsContact O-CA 3.3Å; T504-H629 WeakPolarHBondContact O-CA 3.4Å; T504-H629 WeakPolarHBondContact O-CB 3.46Å; V528-H629 PolarHBondContact O-N 3.12Å; M529-H629 WeakPolarHBondContact CB-NE2 3.32Å; M529-H629 VanDerWaalsContact CG-CE1 3.43Å; M529-H629 WeakPolarHBondContact CG-CE1 3.25Å; L530-H629 PolarHBondContact N-O 3.31Å; Y544-H629 AromaticContact CE1-CE1 3.72Å; Y544-H629 AromaticContact CE1-NE2 3.38Å; Y544-H629 WeakPolarHBondContact CE1-NE2 3.38Å; Y544-H629 AromaticContact CZ-NE2 3.43Å; Y544-H629 PolarHBondContact OH-CD2 2.65Å; Y544-H629 PolarHBondContact OH-NE2 3.04Å; H629-T637 WeakPolarHBondContact CA-OG1 2.98Å
630	C	97.4	Very high	96.1	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.061	13%	0.126	C	C	.	.			trans	-124.4	-132.2	164.1	63.7	0	0	0	0	107.5	G506 L530 G633 R636 T637	G506-C630 WeakPolarHBondContact CA-O 3.46Å; G506-C630 PolarHBondContact N-O 2.88Å; L530-C630 HydrophobicContact CB-CB 4.15Å; C630-G633 PolarHBondContact SG-N 3.38Å; C630-R636 HydrophobicContact CB-CB 3.9Å; C630-R636 HydrophobicContact CB-CG 4.48Å; C630-T637 PolarHBondContact N-OG1 3.11Å; C630-T637 VanDerWaalsContact N-OG1 3.1Å; C630-T637 PolarHBondContact SG-OG1 3.35Å; C630-T637 VanDerWaalsContact SG-OG1 3.37Å
631	S	97.8	Very high	96.5	Very high	25 Å²	25	14.3 Å²	14.3	18%	0.175	9%	0.093	C	C	.	.	S	Bend	trans	-80.3	-67.9	170.7	-168.6	0	0	0	0	111.7	R461 Q505 G506 K540	R461-S631 WeakPolarHBondContact CD-O 3.13Å; R461-S631 WeakPolarHBondContact CD-OG 3.38Å; Q505-S631 WeakPolarHBondContact CA-O 3.18Å; Q505-S631 WeakPolarHBondContact CB-O 3.13Å; G506-S631 PolarHBondContact N-O 3.42Å; K540-S631 WeakPolarHBondContact O-CA 3.42Å; K540-S631 WeakPolarHBondContact O-CB 3.4Å; K540-S631 PolarHBondContact O-OG 3.19Å
632	A	97.6	Very high	97	Very high	14 Å²	14	13.4 Å²	13.4	12%	0.116	9%	0.087	C	C	.	.	S	Bend	trans	-85.7	-11.2	179.1	0	0	0	0	0	114.2	V462 I465 R669	V462-A632 HydrophobicContact CB-CB 4.43Å; V462-A632 HydrophobicContact CG2-CB 3.87Å; I465-A632 HydrophobicContact CD1-CB 3.66Å; I465-A632 HydrophobicContact CG2-CB 4.44Å; I465-A632 WeakPolarHBondContact CG2-O 3.22Å; A632-R669 PolarHBondContact O-NH2 3.06Å; A632-R669 VanDerWaalsContact O-NH2 3.13Å
633	G	97.6	Very high	97.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	74.3	33.3	-178	0	0	0	0	0	114.1	T504 C630 T637 R669	T504-G633 WeakPolarHBondContact O-CA 3.41Å; C630-G633 PolarHBondContact SG-N 3.38Å; G633-T637 WeakPolarHBondContact CA-OG1 3.43Å; G633-R669 WeakPolarHBondContact O-CD 3.46Å; G633-R669 PolarHBondContact O-NE 3.22Å
634	A	97.5	Very high	98	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-133.2	-61.5	-177.3	0	0	0	0	0	113.6	I465 G638 H671 M672 V673	I465-A634 HydrophobicContact CD1-CB 4.1Å; I465-A634 HydrophobicContact CG2-CB 3.75Å; A634-G638 VanDerWaalsContact O-CA 3.26Å; A634-G638 WeakPolarHBondContact O-CA 3.43Å; A634-G638 PolarHBondContact O-N 2.75Å; A634-H671 HydrophobicContact CB-CB 4.24Å; A634-M672 WeakPolarHBondContact O-CA 3.48Å; A634-V673 PolarHBondContact O-N 2.82Å
635	G	97.4	Very high	98.1	Very high	4 Å²	4	5.8 Å²	5.8	4%	0.041	4%	0.035	C	C	.	.	H	α-helix	trans	-61.1	-82.6	-177.5	0	0	0	0	0	113.6	T637 G638 T639 Q678	G635-T637 VanDerWaalsContact C-N 3.3Å; G635-T637 PolarHBondContact O-N 3.38Å; G635-G638 PolarHBondContact O-N 2.99Å; G635-G638 VanDerWaalsContact O-N 3.08Å; G635-T639 PolarHBondContact O-N 3.24Å; G635-T639 PolarHBondContact O-OG1 3.43Å; G635-Q678 VanDerWaalsContact CA-OE1 3.22Å
636	R	98.3	Very high	98.1	Very high	28 Å²	28	5 Å²	5	11%	0.106	3%	0.03	C	C	.	.	H	α-helix	trans	-58.5	-39.6	179.2	-53	-174.4	177	154.6	4	113	L530 T531 E535 W595 P596 C630 G638 T639 F640	L530-R636 HydrophobicContact CB-CB 4Å; L530-R636 HydrophobicContact CD1-CB 4.26Å; L530-R636 WeakPolarHBondContact CD1-O 3.35Å; L530-R636 WeakPolarHBondContact O-CD 3.36Å; L530-R636 PolarHBondContact O-NH1 3.49Å; T531-R636 PolarHBondContact OG1-NH1 3.26Å; E535-R636 IonicContact OE1-CZ 2.76Å; E535-R636 IonicContact OE1-NH1 3.42Å; E535-R636 PolarHBondContact OE1-NH1 2.7Å; E535-R636 IonicContact OE1-NH2 3.94Å; E535-R636 IonicContact OE2-CZ 2.79Å; E535-R636 IonicContact OE2-NH1 3.75Å; E535-R636 PolarHBondContact OE2-NH1 3.31Å; E535-R636 IonicContact OE2-NH2 3.65Å; E535-R636 PolarHBondContact OE2-NH2 3.03Å; W595-R636 VanDerWaalsContact CD1-CZ 3.44Å; W595-R636 HydrophobicContact CD2-CB 4.32Å; W595-R636 HydrophobicContact CD2-CG 3.67Å; W595-R636 HydrophobicContact CE3-CB 3.94Å; W595-R636 HydrophobicContact CE3-CG 3.81Å; W595-R636 HydrophobicContact CG-CG 4.38Å; W595-R636 HydrophobicContact CH2-CB 3.9Å; W595-R636 HydrophobicContact CH2-CG 3.76Å; W595-R636 HydrophobicContact CZ2-CB 4.3Å; W595-R636 HydrophobicContact CZ2-CG 3.63Å; W595-R636 HydrophobicContact CZ3-CB 3.7Å; W595-R636 HydrophobicContact CZ3-CG 3.85Å; P596-R636 PolarHBondContact O-NH2 3.29Å; C630-R636 HydrophobicContact CB-CB 3.9Å; C630-R636 HydrophobicContact CB-CG 4.48Å; R636-G638 PolarHBondContact O-N 3.32Å; R636-T639 PolarHBondContact O-N 3.26Å; R636-F640 PolarHBondContact O-N 2.97Å
637	T	98.8	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-56.7	-47.1	173.3	-63.6	0	0	0	0	111.8	A503 V628 H629 C630 G633 G635 F640 I641 M672	A503-T637 HydrophobicContact CB-CG2 3.71Å; V628-T637 HydrophobicContact CB-CG2 4.13Å; V628-T637 HydrophobicContact CG1-CG2 3.89Å; V628-T637 WeakPolarHBondContact O-CG2 3.42Å; H629-T637 WeakPolarHBondContact CA-OG1 2.98Å; C630-T637 PolarHBondContact N-OG1 3.11Å; C630-T637 VanDerWaalsContact N-OG1 3.1Å; C630-T637 PolarHBondContact SG-OG1 3.35Å; C630-T637 VanDerWaalsContact SG-OG1 3.37Å; G633-T637 WeakPolarHBondContact CA-OG1 3.43Å; G635-T637 VanDerWaalsContact C-N 3.3Å; G635-T637 PolarHBondContact O-N 3.38Å; T637-F640 PolarHBondContact O-N 2.74Å; T637-I641 HydrophobicContact CG2-CD1 3.92Å; T637-I641 VanDerWaalsContact O-CG1 3.32Å; T637-I641 WeakPolarHBondContact O-CG1 3.48Å; T637-I641 PolarHBondContact O-N 2.94Å; T637-M672 HydrophobicContact CG2-CE 4.44Å
638	G	98.5	Very high	97.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.6	-38.5	176.6	0	0	0	0	0	112.6	A634 G635 R636 I641 A642 L665	A634-G638 VanDerWaalsContact O-CA 3.26Å; A634-G638 WeakPolarHBondContact O-CA 3.43Å; A634-G638 PolarHBondContact O-N 2.75Å; G635-G638 PolarHBondContact O-N 2.99Å; G635-G638 VanDerWaalsContact O-N 3.08Å; R636-G638 PolarHBondContact O-N 3.32Å; G638-I641 PolarHBondContact O-N 2.88Å; G638-A642 WeakPolarHBondContact O-CB 3.07Å; G638-A642 PolarHBondContact O-N 2.64Å; G638-L665 WeakPolarHBondContact O-CD1 3.37Å
639	T	98.7	Very high	97.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.9	-46.8	175.4	-58.7	0	0	0	0	111.8	W595 G635 R636 A642 L643 F681	W595-T639 HydrophobicContact CH2-CG2 3.81Å; W595-T639 HydrophobicContact CZ3-CG2 4.21Å; G635-T639 PolarHBondContact O-N 3.24Å; G635-T639 PolarHBondContact O-OG1 3.43Å; R636-T639 PolarHBondContact O-N 3.26Å; T639-A642 PolarHBondContact O-N 2.96Å; T639-L643 HydrophobicContact CG2-CD1 3.83Å; T639-L643 WeakPolarHBondContact O-CB 3.46Å; T639-L643 VanDerWaalsContact O-CG 3.31Å; T639-L643 WeakPolarHBondContact O-CG 3.43Å; T639-L643 PolarHBondContact O-N 3.2Å; T639-F681 HydrophobicContact CG2-CD1 3.87Å; T639-F681 HydrophobicContact CG2-CE1 4.49Å
640	F	98.7	Very high	96.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-47	176.9	177.1	-86.7	0	0	0	111.8	F501 V528 L530 M607 I610 I611 V614 V628 R636 T637 L643 S644	F501-F640 HydrophobicContact CE1-CE1 4.41Å; V528-F640 HydrophobicContact CB-CZ 4.42Å; V528-F640 HydrophobicContact CG1-CD2 4.09Å; V528-F640 HydrophobicContact CG1-CE1 4.33Å; V528-F640 HydrophobicContact CG1-CE2 3.85Å; V528-F640 HydrophobicContact CG1-CG 4.45Å; V528-F640 HydrophobicContact CG1-CZ 3.99Å; V528-F640 HydrophobicContact CG2-CE1 4.13Å; V528-F640 HydrophobicContact CG2-CZ 3.87Å; L530-F640 HydrophobicContact CD1-CB 3.52Å; L530-F640 HydrophobicContact CD1-CG 4.11Å; L530-F640 HydrophobicContact CD2-CB 4.41Å; L530-F640 HydrophobicContact CD2-CD2 4.12Å; L530-F640 HydrophobicContact CD2-CG 4.48Å; M607-F640 HydrophobicContact SD-CD2 3.75Å; I610-F640 HydrophobicContact CG2-CE2 4.22Å; I611-F640 HydrophobicContact CG1-CD2 4.01Å; I611-F640 HydrophobicContact CG1-CE2 3.56Å; I611-F640 HydrophobicContact CG1-CZ 4.07Å; V614-F640 HydrophobicContact CB-CZ 4.44Å; V614-F640 HydrophobicContact CG1-CZ 4.48Å; V614-F640 HydrophobicContact CG2-CZ 4.15Å; V628-F640 HydrophobicContact CB-CD1 4.48Å; V628-F640 HydrophobicContact CG1-CB 4.29Å; V628-F640 HydrophobicContact CG1-CD1 3.69Å; V628-F640 HydrophobicContact CG1-CE1 4.39Å; V628-F640 HydrophobicContact CG1-CG 4.18Å; V628-F640 HydrophobicContact CG2-CD1 3.9Å; V628-F640 HydrophobicContact CG2-CE1 3.91Å; R636-F640 PolarHBondContact O-N 2.97Å; T637-F640 PolarHBondContact O-N 2.74Å; F640-L643 PolarHBondContact O-N 3.25Å; F640-S644 WeakPolarHBondContact O-CB 3.19Å; F640-S644 PolarHBondContact O-N 3.42Å
641	I	98.8	Very high	96.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.7	-42	-179.5	-65.8	172.4	0	0	0	110.7	I492 F501 A503 V628 T637 G638 L643 S644 N645 L665 M672	I492-I641 HydrophobicContact CG1-CD1 4.43Å; I492-I641 HydrophobicContact CG2-CG2 3.95Å; F501-I641 HydrophobicContact CB-CD1 3.92Å; F501-I641 HydrophobicContact CB-CG1 4.3Å; F501-I641 HydrophobicContact CD1-CG1 4.02Å; F501-I641 HydrophobicContact CD2-CG1 4.47Å; F501-I641 HydrophobicContact CD2-CG2 3.72Å; F501-I641 HydrophobicContact CE1-CG1 4.47Å; F501-I641 HydrophobicContact CE2-CG2 3.86Å; F501-I641 HydrophobicContact CG-CD1 4.2Å; F501-I641 HydrophobicContact CG-CG1 4.03Å; F501-I641 HydrophobicContact CG-CG2 4.13Å; F501-I641 HydrophobicContact CZ-CG2 4.41Å; A503-I641 HydrophobicContact CB-CD1 3.92Å; V628-I641 HydrophobicContact CB-CD1 4.21Å; V628-I641 HydrophobicContact CB-CG1 4.32Å; V628-I641 HydrophobicContact CG1-CG1 4.36Å; V628-I641 HydrophobicContact CG2-CD1 4.34Å; V628-I641 HydrophobicContact CG2-CG1 4.13Å; T637-I641 HydrophobicContact CG2-CD1 3.92Å; T637-I641 VanDerWaalsContact O-CG1 3.32Å; T637-I641 WeakPolarHBondContact O-CG1 3.48Å; T637-I641 PolarHBondContact O-N 2.94Å; G638-I641 PolarHBondContact O-N 2.88Å; I641-L643 PolarHBondContact O-N 3.33Å; I641-S644 PolarHBondContact O-N 2.81Å; I641-N645 PolarHBondContact O-N 3.07Å; I641-L665 HydrophobicContact CB-CD1 4.48Å; I641-L665 HydrophobicContact CG2-CD1 4.31Å; I641-L665 HydrophobicContact CG2-CD2 3.62Å; I641-M672 HydrophobicContact CD1-CE 3.97Å
642	A	98.5	Very high	95.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.7	-51.1	175.7	0	0	0	0	0	110.6	G638 T639 S644 N645 I646 T661 V662 L665 V673	G638-A642 WeakPolarHBondContact O-CB 3.07Å; G638-A642 PolarHBondContact O-N 2.64Å; T639-A642 PolarHBondContact O-N 2.96Å; A642-S644 PolarHBondContact O-N 2.89Å; A642-N645 PolarHBondContact O-N 3.45Å; A642-I646 HydrophobicContact CB-CD1 4.31Å; A642-I646 WeakPolarHBondContact O-CB 3.37Å; A642-I646 VanDerWaalsContact O-CD1 3.32Å; A642-I646 WeakPolarHBondContact O-CD1 3.14Å; A642-I646 WeakPolarHBondContact O-CG1 3.49Å; A642-I646 PolarHBondContact O-N 2.95Å; A642-T661 HydrophobicContact CB-CG2 4.09Å; A642-V662 HydrophobicContact CB-CG2 4.29Å; A642-L665 HydrophobicContact CB-CD1 3.68Å; A642-V673 HydrophobicContact CB-CG2 4.39Å
643	L	98.4	Very high	95.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.6	-41.1	178.9	-74.4	170.7	0	0	0	112.4	M607 I611 T639 F640 I641 N645 I646 L647 F681 C682 V685 V686	M607-L643 HydrophobicContact CG-CD1 3.6Å; I611-L643 HydrophobicContact CD1-CB 3.64Å; T639-L643 HydrophobicContact CG2-CD1 3.83Å; T639-L643 WeakPolarHBondContact O-CB 3.46Å; T639-L643 VanDerWaalsContact O-CG 3.31Å; T639-L643 WeakPolarHBondContact O-CG 3.43Å; T639-L643 PolarHBondContact O-N 3.2Å; F640-L643 PolarHBondContact O-N 3.25Å; I641-L643 PolarHBondContact O-N 3.33Å; L643-N645 VanDerWaalsContact C-N 3.28Å; L643-N645 PolarHBondContact O-N 2.6Å; L643-I646 PolarHBondContact O-N 3.24Å; L643-L647 VanDerWaalsContact O-CB 3.26Å; L643-L647 WeakPolarHBondContact O-CB 3.4Å; L643-L647 WeakPolarHBondContact O-CG 3.37Å; L643-L647 PolarHBondContact O-N 3.5Å; L643-F681 HydrophobicContact CD1-CE1 4.48Å; L643-C682 HydrophobicContact CD2-CB 4.3Å; L643-C682 WeakPolarHBondContact CD2-O 3.5Å; L643-V685 HydrophobicContact CD1-CB 4.01Å; L643-V685 HydrophobicContact CD1-CG1 3.96Å; L643-V685 HydrophobicContact CD1-CG2 3.92Å; L643-V685 HydrophobicContact CD2-CB 3.69Å; L643-V685 HydrophobicContact CD2-CG1 3.72Å; L643-V685 HydrophobicContact CD2-CG2 4.47Å; L643-V685 HydrophobicContact CG-CG1 4.41Å; L643-V686 HydrophobicContact CD2-CG2 4.15Å
644	S	97.7	Very high	94.8	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-58.6	-43	175.6	-173	0	0	0	0	111.5	F640 I641 A642 E648	F640-S644 WeakPolarHBondContact O-CB 3.19Å; F640-S644 PolarHBondContact O-N 3.42Å; I641-S644 PolarHBondContact O-N 2.81Å; A642-S644 PolarHBondContact O-N 2.89Å; S644-E648 WeakPolarHBondContact O-CB 3.22Å; S644-E648 PolarHBondContact O-N 2.89Å
645	N	96.2	Very high	94.5	Very high	19 Å²	19	13.6 Å²	13.6	10%	0.102	7%	0.071	C	C	.	.	H	α-helix	trans	-69.9	-45.1	177.7	-76.3	-12.5	0	0	0	112.3	D493 G494 Y495 F501 I641 A642 L643 R649 T661	D493-N645 PolarHBondContact O-ND2 3.43Å; G494-N645 VanDerWaalsContact CA-OD1 3.3Å; G494-N645 WeakPolarHBondContact CA-OD1 3.45Å; Y495-N645 PolarHBondContact N-OD1 3.04Å; F501-N645 WeakPolarHBondContact CE2-OD1 3.19Å; I641-N645 PolarHBondContact O-N 3.07Å; A642-N645 PolarHBondContact O-N 3.45Å; L643-N645 VanDerWaalsContact C-N 3.28Å; L643-N645 PolarHBondContact O-N 2.6Å; N645-R649 WeakPolarHBondContact O-CB 3.5Å; N645-R649 PolarHBondContact O-N 3.11Å; N645-T661 HydrophobicContact CB-CG2 4.21Å
646	I	96.6	Very high	94.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-66.2	-46.8	-178.5	-65	155.7	0	0	0	110.6	A642 L643 E648 R649 V650 L656 V658 T661 V686	A642-I646 HydrophobicContact CB-CD1 4.31Å; A642-I646 WeakPolarHBondContact O-CB 3.37Å; A642-I646 VanDerWaalsContact O-CD1 3.32Å; A642-I646 WeakPolarHBondContact O-CD1 3.14Å; A642-I646 WeakPolarHBondContact O-CG1 3.49Å; A642-I646 PolarHBondContact O-N 2.95Å; L643-I646 PolarHBondContact O-N 3.24Å; I646-E648 VanDerWaalsContact C-N 3.33Å; I646-E648 PolarHBondContact O-N 3.21Å; I646-R649 WeakPolarHBondContact O-CB 3.38Å; I646-R649 PolarHBondContact O-N 3.22Å; I646-R649 VanDerWaalsContact O-N 3.16Å; I646-V650 HydrophobicContact CG2-CG2 4.14Å; I646-V650 WeakPolarHBondContact O-CB 3.48Å; I646-V650 VanDerWaalsContact O-CG2 3.31Å; I646-V650 WeakPolarHBondContact O-CG2 3.44Å; I646-V650 PolarHBondContact O-N 3.33Å; I646-L656 HydrophobicContact CG2-CB 3.92Å; I646-V658 HydrophobicContact CD1-CB 4.33Å; I646-V658 HydrophobicContact CD1-CG1 4.25Å; I646-V658 HydrophobicContact CD1-CG2 4.08Å; I646-T661 HydrophobicContact CD1-CG2 4.19Å; I646-T661 HydrophobicContact CG1-CG2 4Å; I646-V686 HydrophobicContact CB-CG2 4.4Å; I646-V686 HydrophobicContact CG2-CG1 4.41Å; I646-V686 HydrophobicContact CG2-CG2 3.51Å
647	L	95.6	Very high	94.1	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-66.4	-35.1	-178.8	-64.9	-176.3	0	0	0	112	I608 I611 L643 K651 V685 V686 F689	I608-L647 HydrophobicContact CG1-CD1 4.33Å; I611-L647 HydrophobicContact CD1-CD1 4.02Å; L643-L647 VanDerWaalsContact O-CB 3.26Å; L643-L647 WeakPolarHBondContact O-CB 3.4Å; L643-L647 WeakPolarHBondContact O-CG 3.37Å; L643-L647 PolarHBondContact O-N 3.5Å; L647-K651 VanDerWaalsContact O-CG 3.25Å; L647-K651 WeakPolarHBondContact O-CG 3.47Å; L647-K651 PolarHBondContact O-N 2.84Å; L647-K651 VanDerWaalsContact O-N 3.1Å; L647-V685 HydrophobicContact CD1-CG1 4.5Å; L647-V686 HydrophobicContact CD2-CG2 4.16Å; L647-F689 HydrophobicContact CD1-CD2 4.37Å; L647-F689 HydrophobicContact CD2-CB 3.66Å; L647-F689 HydrophobicContact CD2-CD1 3.73Å; L647-F689 HydrophobicContact CD2-CD2 4.12Å; L647-F689 HydrophobicContact CD2-CE1 4.45Å; L647-F689 HydrophobicContact CD2-CG 3.55Å
648	E	92.4	Very high	93.9	Very high	38 Å²	38	12.2 Å²	12.2	18%	0.178	6%	0.064	C	C	.	.	H	α-helix	trans	-65	-42	172.5	-166.3	-177.7	159.6	0	0	111.5	Y495 R496 S644 I646 K651 A652	Y495-E648 HydrophobicContact CD1-CB 4.14Å; Y495-E648 HydrophobicContact CD1-CG 3.71Å; Y495-E648 HydrophobicContact CE1-CG 4.43Å; R496-E648 WeakPolarHBondContact CD-OE1 3.43Å; R496-E648 WeakPolarHBondContact CG-OE1 3.28Å; R496-E648 IonicContact NE-OE1 2.62Å; R496-E648 PolarHBondContact NE-OE1 2.99Å; R496-E648 VanDerWaalsContact NE-OE1 3.12Å; S644-E648 WeakPolarHBondContact O-CB 3.22Å; S644-E648 PolarHBondContact O-N 2.89Å; I646-E648 VanDerWaalsContact C-N 3.33Å; I646-E648 PolarHBondContact O-N 3.21Å; E648-K651 PolarHBondContact O-N 2.84Å; E648-A652 WeakPolarHBondContact O-CB 3.4Å; E648-A652 PolarHBondContact O-N 2.92Å
649	R	90.9	Very high	93.8	Very high	17 Å²	17	12.3 Å²	12.3	6%	0.064	7%	0.065	C	C	.	.	H	α-helix	trans	-64.6	-45.1	176.8	-172.3	176.2	-164.1	-153.6	-3.5	112.6	E406 Y495 N645 I646 K651 A652 E653	E406-R649 IonicContact OE2-CZ 2.68Å; E406-R649 IonicContact OE2-NH1 2.93Å; E406-R649 PolarHBondContact OE2-NH1 3.49Å; E406-R649 IonicContact OE2-NH2 2.87Å; E406-R649 PolarHBondContact OE2-NH2 3.35Å; Y495-R649 HydrophobicContact CD2-CB 3.89Å; Y495-R649 HydrophobicContact CD2-CG 4.14Å; Y495-R649 HydrophobicContact CE2-CB 3.73Å; Y495-R649 HydrophobicContact CE2-CG 3.54Å; Y495-R649 HydrophobicContact CG-CB 4.4Å; N645-R649 WeakPolarHBondContact O-CB 3.5Å; N645-R649 PolarHBondContact O-N 3.11Å; I646-R649 WeakPolarHBondContact O-CB 3.38Å; I646-R649 PolarHBondContact O-N 3.22Å; I646-R649 VanDerWaalsContact O-N 3.16Å; R649-K651 VanDerWaalsContact C-N 3.33Å; R649-K651 PolarHBondContact O-N 2.9Å; R649-A652 PolarHBondContact O-N 2.93Å; R649-A652 VanDerWaalsContact O-N 3.09Å; R649-E653 IonicContact NE-OE1 2.96Å; R649-E653 PolarHBondContact NE-OE1 3.09Å; R649-E653 IonicContact NH2-OE1 3.81Å; R649-E653 IonicContact NH2-OE2 3.29Å; R649-E653 PolarHBondContact O-N 3.04Å
650	V	92.1	Very high	93.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.3	-48.2	176	165.3	0	0	0	0	110	V409 I646 A652 G654 L655 L656 V686 F689 V690 F699	V409-V650 HydrophobicContact CG2-CG1 3.82Å; V409-V650 HydrophobicContact CG2-CG2 4.32Å; I646-V650 HydrophobicContact CG2-CG2 4.14Å; I646-V650 WeakPolarHBondContact O-CB 3.48Å; I646-V650 VanDerWaalsContact O-CG2 3.31Å; I646-V650 WeakPolarHBondContact O-CG2 3.44Å; I646-V650 PolarHBondContact O-N 3.33Å; V650-A652 VanDerWaalsContact C-N 3.29Å; V650-A652 PolarHBondContact O-N 2.9Å; V650-G654 WeakPolarHBondContact O-CA 3.38Å; V650-G654 PolarHBondContact O-N 3.22Å; V650-L655 WeakPolarHBondContact CG2-O 3.22Å; V650-L655 PolarHBondContact N-O 3.12Å; V650-L656 HydrophobicContact CG2-CB 3.72Å; V650-V686 HydrophobicContact CG2-CG1 4.18Å; V650-F689 HydrophobicContact CG1-CD1 4.16Å; V650-F689 HydrophobicContact CG1-CE1 4.02Å; V650-V690 HydrophobicContact CG1-CG2 4.48Å; V650-F699 HydrophobicContact CG1-CD1 4.39Å; V650-F699 HydrophobicContact CG1-CE1 3.42Å; V650-F699 VanDerWaalsContact CG1-CE1 3.42Å; V650-F699 HydrophobicContact CG1-CZ 3.7Å
651	K	88.4	Confident	93.4	Very high	59 Å²	59	13.4 Å²	13.4	26%	0.257	7%	0.071	S	C	.	.	H	α-helix	trans	-59.7	-37.7	175.7	-72.3	171.7	-175.2	178.4	0	112.7	L647 E648 R649 F689 Y696 N698	L647-K651 VanDerWaalsContact O-CG 3.25Å; L647-K651 WeakPolarHBondContact O-CG 3.47Å; L647-K651 PolarHBondContact O-N 2.84Å; L647-K651 VanDerWaalsContact O-N 3.1Å; E648-K651 PolarHBondContact O-N 2.84Å; R649-K651 VanDerWaalsContact C-N 3.33Å; R649-K651 PolarHBondContact O-N 2.9Å; K651-F689 HydrophobicContact CD-CZ 4.04Å; K651-F689 HydrophobicContact CG-CE1 4Å; K651-F689 HydrophobicContact CG-CZ 3.67Å; K651-Y696 WeakPolarHBondContact O-CE1 3.48Å; K651-N698 PolarHBondContact O-ND2 3.47Å
652	A	85.4	Confident	93.3	Very high	36 Å²	36	13.4 Å²	13.4	30%	0.298	7%	0.071	S	C	.	.	H	α-helix	trans	-82.7	-38.3	-173.8	0	0	0	0	0	114	Y495 E648 R649 V650	Y495-A652 HydrophobicContact CE1-CB 3.82Å; E648-A652 WeakPolarHBondContact O-CB 3.4Å; E648-A652 PolarHBondContact O-N 2.92Å; R649-A652 PolarHBondContact O-N 2.93Å; R649-A652 VanDerWaalsContact O-N 3.09Å; V650-A652 VanDerWaalsContact C-N 3.29Å; V650-A652 PolarHBondContact O-N 2.9Å
653	E	84.7	Confident	93.1	Very high	45 Å²	45	13.7 Å²	13.7	21%	0.21	7%	0.073	C	C	.	.	H	α-helix	trans	-123.9	-14.1	-168	-65.9	-176.2	-108.6	0	0	114.5	Y495 R649 L655	Y495-E653 WeakPolarHBondContact CE2-OE1 3.48Å; Y495-E653 VanDerWaalsContact OH-CD 3.27Å; Y495-E653 WeakPolarHBondContact OH-CG 3.41Å; Y495-E653 PolarHBondContact OH-OE1 2.79Å; R649-E653 IonicContact NE-OE1 2.96Å; R649-E653 PolarHBondContact NE-OE1 3.09Å; R649-E653 IonicContact NH2-OE1 3.81Å; R649-E653 IonicContact NH2-OE2 3.29Å; R649-E653 PolarHBondContact O-N 3.04Å; E653-L655 HydrophobicContact CB-CB 4.21Å; E653-L655 HydrophobicContact CB-CD1 4.38Å; E653-L655 HydrophobicContact CB-CG 4.24Å; E653-L655 PolarHBondContact O-N 3.25Å
654	G	87.5	Confident	92.9	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.031	9%	0.086	C	C	.	.	S	Bend	trans	70	15.4	-169.1	0	0	0	0	0	113.5	V409 V650 N698	V409-G654 VanDerWaalsContact CG2-O 3.26Å; V409-G654 WeakPolarHBondContact CG2-O 3.43Å; V409-G654 PolarHBondContact N-O 2.89Å; V409-G654 VanDerWaalsContact N-O 3.07Å; V650-G654 WeakPolarHBondContact O-CA 3.38Å; V650-G654 PolarHBondContact O-N 3.22Å; G654-N698 WeakPolarHBondContact CA-O 3.28Å
655	L	90.2	Very high	92.8	Very high	31 Å²	31	15.5 Å²	15.5	16%	0.162	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.7	-177.8	-60.3	176.8	0	0	0	111.1	E406 L407 D408 V650 E653	E406-L655 HydrophobicContact CG-CB 4.47Å; L407-L655 WeakPolarHBondContact O-CA 3.27Å; D408-L655 HydrophobicContact CB-CD2 4.32Å; V650-L655 WeakPolarHBondContact CG2-O 3.22Å; V650-L655 PolarHBondContact N-O 3.12Å; E653-L655 HydrophobicContact CB-CB 4.21Å; E653-L655 HydrophobicContact CB-CD1 4.38Å; E653-L655 HydrophobicContact CB-CG 4.24Å; E653-L655 PolarHBondContact O-N 3.25Å
656	L	93.6	Very high	92.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.3	171.8	71.4	146.2	0	0	0	111.5	E406 L407 V409 L412 I646 V650 V658 V686	E406-L656 WeakPolarHBondContact CA-O 3.31Å; L407-L656 HydrophobicContact CB-CD2 3.9Å; L407-L656 HydrophobicContact CB-CG 4.07Å; L407-L656 PolarHBondContact N-O 3.22Å; L407-L656 PolarHBondContact O-N 3.1Å; V409-L656 HydrophobicContact CG2-CD2 4.23Å; L412-L656 HydrophobicContact CB-CD2 4.49Å; L412-L656 HydrophobicContact CD1-CD1 3.7Å; L412-L656 HydrophobicContact CD2-CD1 4.41Å; I646-L656 HydrophobicContact CG2-CB 3.92Å; V650-L656 HydrophobicContact CG2-CB 3.72Å; L656-V658 HydrophobicContact CD1-CG2 4.07Å; L656-V686 HydrophobicContact CD1-CG1 3.89Å
657	D	93.8	Very high	92.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.011	9%	0.091	C	C	.	.			trans	-157.1	86.4	176	-178	-14.2	0	0	0	108.3	K320 E406 Q660 T661	K320-D657 WeakPolarHBondContact CE-OD2 3.41Å; K320-D657 IonicContact NZ-OD2 3.64Å; K320-D657 PolarHBondContact NZ-OD2 3.19Å; E406-D657 HydrophobicContact CB-CB 4.19Å; E406-D657 HydrophobicContact CG-CB 4.48Å; D657-Q660 VanDerWaalsContact CG-CB 3.48Å; D657-Q660 VanDerWaalsContact OD1-CB 3.25Å; D657-Q660 WeakPolarHBondContact OD1-CB 3.47Å; D657-Q660 WeakPolarHBondContact OD1-CG 3.49Å; D657-Q660 PolarHBondContact OD1-N 3.35Å; D657-Q660 WeakPolarHBondContact OD2-CB 3.45Å; D657-Q660 WeakPolarHBondContact OD2-CG 3.16Å; D657-T661 VanDerWaalsContact O-CB 3.28Å; D657-T661 WeakPolarHBondContact O-CB 3.37Å; D657-T661 PolarHBondContact O-N 2.93Å; D657-T661 PolarHBondContact O-OG1 2.88Å
658	V	96.3	Very high	92.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-67.7	-44	-175.5	-175.1	0	0	0	0	109.9	I646 L656 T661 V662 Y679 C682 Y683	I646-V658 HydrophobicContact CD1-CB 4.33Å; I646-V658 HydrophobicContact CD1-CG1 4.25Å; I646-V658 HydrophobicContact CD1-CG2 4.08Å; L656-V658 HydrophobicContact CD1-CG2 4.07Å; V658-T661 PolarHBondContact O-N 3.11Å; V658-V662 HydrophobicContact CG1-CG2 4.4Å; V658-V662 WeakPolarHBondContact O-CG2 3.18Å; V658-V662 PolarHBondContact O-N 2.8Å; V658-Y679 HydrophobicContact CG1-CD2 4.31Å; V658-Y679 HydrophobicContact CG1-CE2 3.73Å; V658-C682 HydrophobicContact CG1-CB 3.75Å; V658-Y683 HydrophobicContact CB-CD1 4.34Å; V658-Y683 HydrophobicContact CB-CD2 4.43Å; V658-Y683 HydrophobicContact CB-CE1 3.83Å; V658-Y683 HydrophobicContact CB-CE2 3.94Å; V658-Y683 HydrophobicContact CG1-CD2 4.22Å; V658-Y683 HydrophobicContact CG1-CE2 4Å; V658-Y683 HydrophobicContact CG2-CD1 3.6Å; V658-Y683 HydrophobicContact CG2-CD2 4.4Å; V658-Y683 HydrophobicContact CG2-CE1 3.39Å; V658-Y683 HydrophobicContact CG2-CE2 4.24Å; V658-Y683 HydrophobicContact CG2-CG 4.1Å
659	F	95.2	Very high	92.9	Very high	2 Å²	2	16 Å²	16	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-56.2	-178.1	-176.5	-95.5	0	0	0	112.6	Y402 T405 E434 K437 L438 T661 V662 K663 Y679	Y402-F659 AromaticContact CD1-CE1 3.56Å; Y402-F659 HydrophobicContact CD1-CE1 3.56Å; Y402-F659 AromaticContact CD1-CZ 3.39Å; Y402-F659 HydrophobicContact CD1-CZ 3.39Å; Y402-F659 HydrophobicContact CE1-CE1 4.31Å; Y402-F659 AromaticContact CE1-CZ 3.89Å; Y402-F659 HydrophobicContact CE1-CZ 3.89Å; Y402-F659 AromaticContact CG-CE1 3.74Å; Y402-F659 HydrophobicContact CG-CE1 3.74Å; Y402-F659 HydrophobicContact CG-CZ 4.09Å; T405-F659 HydrophobicContact CG2-CB 4.06Å; T405-F659 HydrophobicContact CG2-CD1 3.94Å; T405-F659 HydrophobicContact CG2-CG 4.06Å; E434-F659 HydrophobicContact CG-CD2 3.48Å; E434-F659 VanDerWaalsContact CG-CD2 3.48Å; E434-F659 HydrophobicContact CG-CE2 4.02Å; E434-F659 HydrophobicContact CG-CG 4.41Å; E434-F659 WeakPolarHBondContact O-CE2 3.15Å; K437-F659 HydrophobicContact CB-CE2 3.99Å; K437-F659 HydrophobicContact CB-CZ 4.05Å; L438-F659 HydrophobicContact CD1-CD2 4.14Å; L438-F659 HydrophobicContact CD1-CE2 4.26Å; L438-F659 HydrophobicContact CD2-CD2 3.94Å; L438-F659 HydrophobicContact CD2-CE1 4.4Å; L438-F659 HydrophobicContact CD2-CE2 3.6Å; L438-F659 HydrophobicContact CD2-CZ 3.83Å; L438-F659 HydrophobicContact CG-CD2 3.95Å; L438-F659 HydrophobicContact CG-CE2 3.58Å; L438-F659 HydrophobicContact CG-CZ 4.25Å; F659-T661 VanDerWaalsContact C-N 3.29Å; F659-T661 PolarHBondContact O-N 3.27Å; F659-V662 PolarHBondContact O-N 2.89Å; F659-K663 HydrophobicContact CE1-CD 3.95Å; F659-K663 HydrophobicContact CZ-CD 4.48Å; F659-K663 VanDerWaalsContact O-CB 3.31Å; F659-K663 WeakPolarHBondContact O-CB 3.32Å; F659-K663 PolarHBondContact O-N 2.77Å; F659-Y679 WeakPolarHBondContact CA-OH 3.42Å; F659-Y679 WeakPolarHBondContact CB-OH 3.33Å; F659-Y679 PolarHBondContact N-OH 3.44Å
660	Q	93.6	Very high	93.2	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-70.4	-29.5	-177.8	-64.7	-69.8	-10.1	0	0	112.2	I316 T405 D657 S664	I316-Q660 HydrophobicContact CD1-CB 4.38Å; I316-Q660 HydrophobicContact CD1-CG 3.73Å; I316-Q660 HydrophobicContact CG1-CB 4.21Å; I316-Q660 HydrophobicContact CG1-CG 4.11Å; T405-Q660 WeakPolarHBondContact OG1-CG 3.35Å; D657-Q660 VanDerWaalsContact CG-CB 3.48Å; D657-Q660 VanDerWaalsContact OD1-CB 3.25Å; D657-Q660 WeakPolarHBondContact OD1-CB 3.47Å; D657-Q660 WeakPolarHBondContact OD1-CG 3.49Å; D657-Q660 PolarHBondContact OD1-N 3.35Å; D657-Q660 WeakPolarHBondContact OD2-CB 3.45Å; D657-Q660 WeakPolarHBondContact OD2-CG 3.16Å; Q660-S664 VanDerWaalsContact O-CB 3.25Å; Q660-S664 WeakPolarHBondContact O-CB 3.43Å; Q660-S664 PolarHBondContact O-N 3.05Å
661	T	95.5	Very high	93.4	Very high	18 Å²	18	17.9 Å²	17.9	11%	0.11	10%	0.096	C	C	.	.	H	α-helix	trans	-60.8	-52.7	172.6	-59.7	0	0	0	0	109.8	A642 N645 I646 D657 V658 F659 K663 S664 L665	A642-T661 HydrophobicContact CB-CG2 4.09Å; N645-T661 HydrophobicContact CB-CG2 4.21Å; I646-T661 HydrophobicContact CD1-CG2 4.19Å; I646-T661 HydrophobicContact CG1-CG2 4Å; D657-T661 VanDerWaalsContact O-CB 3.28Å; D657-T661 WeakPolarHBondContact O-CB 3.37Å; D657-T661 PolarHBondContact O-N 2.93Å; D657-T661 PolarHBondContact O-OG1 2.88Å; V658-T661 PolarHBondContact O-N 3.11Å; F659-T661 VanDerWaalsContact C-N 3.29Å; F659-T661 PolarHBondContact O-N 3.27Å; T661-K663 PolarHBondContact O-N 3.14Å; T661-S664 WeakPolarHBondContact O-CB 3.35Å; T661-S664 PolarHBondContact O-N 3.46Å; T661-L665 WeakPolarHBondContact O-CG 3.43Å; T661-L665 PolarHBondContact O-N 3.37Å
662	V	97.3	Very high	93.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.5	-39.8	-179.7	177.4	0	0	0	0	111.8	L438 A642 V658 F659 S664 L665 R666 V673 Y679	L438-V662 HydrophobicContact CD1-CB 4.09Å; L438-V662 HydrophobicContact CD1-CG1 3.78Å; A642-V662 HydrophobicContact CB-CG2 4.29Å; V658-V662 HydrophobicContact CG1-CG2 4.4Å; V658-V662 WeakPolarHBondContact O-CG2 3.18Å; V658-V662 PolarHBondContact O-N 2.8Å; F659-V662 PolarHBondContact O-N 2.89Å; V662-S664 VanDerWaalsContact C-N 3.35Å; V662-S664 PolarHBondContact O-N 2.76Å; V662-L665 PolarHBondContact O-N 3.12Å; V662-R666 WeakPolarHBondContact O-CG 3.39Å; V662-R666 PolarHBondContact O-N 3.42Å; V662-V673 HydrophobicContact CG1-CB 3.78Å; V662-V673 HydrophobicContact CG1-CG1 4.47Å; V662-V673 HydrophobicContact CG1-CG2 3.98Å; V662-V673 HydrophobicContact CG2-CB 4.32Å; V662-V673 HydrophobicContact CG2-CG2 3.83Å; V662-Y679 HydrophobicContact CB-CD2 4.47Å; V662-Y679 HydrophobicContact CB-CE2 4.13Å; V662-Y679 HydrophobicContact CG1-CD2 4.48Å; V662-Y679 HydrophobicContact CG2-CD2 4Å; V662-Y679 HydrophobicContact CG2-CE2 3.85Å
663	K	94.8	Very high	94.5	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.026	7%	0.069	C	C	.	.	H	α-helix	trans	-57.2	-46.6	173.3	-178.2	161.9	-175.3	-73.1	0	111.9	E398 Y402 L438 M441 F659 T661 L665 R666 M667	E398-K663 VanDerWaalsContact OE1-CE 3.29Å; E398-K663 WeakPolarHBondContact OE1-CE 3.45Å; E398-K663 IonicContact OE1-NZ 3.69Å; E398-K663 PolarHBondContact OE1-NZ 3.29Å; E398-K663 IonicContact OE2-NZ 3.31Å; E398-K663 PolarHBondContact OE2-NZ 3.14Å; Y402-K663 HydrophobicContact CD2-CD 4.38Å; Y402-K663 HydrophobicContact CE2-CD 4.25Å; L438-K663 HydrophobicContact CD2-CB 3.68Å; L438-K663 HydrophobicContact CD2-CG 4.42Å; M441-K663 HydrophobicContact CE-CD 4.44Å; M441-K663 HydrophobicContact CE-CG 3.65Å; M441-K663 HydrophobicContact SD-CB 4.32Å; M441-K663 HydrophobicContact SD-CD 4.3Å; M441-K663 HydrophobicContact SD-CG 3.72Å; F659-K663 HydrophobicContact CE1-CD 3.95Å; F659-K663 HydrophobicContact CZ-CD 4.48Å; F659-K663 VanDerWaalsContact O-CB 3.31Å; F659-K663 WeakPolarHBondContact O-CB 3.32Å; F659-K663 PolarHBondContact O-N 2.77Å; T661-K663 PolarHBondContact O-N 3.14Å; K663-L665 VanDerWaalsContact C-N 3.35Å; K663-L665 PolarHBondContact O-N 3.28Å; K663-R666 PolarHBondContact O-N 3.41Å; K663-M667 WeakPolarHBondContact O-CG 3.37Å; K663-M667 PolarHBondContact O-N 2.88Å
664	S	93.2	Very high	95	Very high	39 Å²	39	15.8 Å²	15.8	27%	0.273	8%	0.08	S	C	.	.	H	α-helix	trans	-59.1	-44.4	175.7	-175.3	0	0	0	0	112.1	Q660 T661 V662 R666 M667 Q668	Q660-S664 VanDerWaalsContact O-CB 3.25Å; Q660-S664 WeakPolarHBondContact O-CB 3.43Å; Q660-S664 PolarHBondContact O-N 3.05Å; T661-S664 WeakPolarHBondContact O-CB 3.35Å; T661-S664 PolarHBondContact O-N 3.46Å; V662-S664 VanDerWaalsContact C-N 3.35Å; V662-S664 PolarHBondContact O-N 2.76Å; S664-R666 VanDerWaalsContact C-N 3.34Å; S664-R666 PolarHBondContact O-N 3.24Å; S664-M667 WeakPolarHBondContact O-CB 3.45Å; S664-M667 PolarHBondContact O-N 2.83Å; S664-Q668 WeakPolarHBondContact O-CG 3.44Å; S664-Q668 PolarHBondContact O-N 3.15Å; S664-Q668 PolarHBondContact O-NE2 2.78Å; S664-Q668 PolarHBondContact OG-NE2 3.07Å
665	L	96.4	Very high	95.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-41.6	175.8	-61.8	177.7	0	0	0	112	I492 G638 I641 A642 T661 V662 K663 M667 Q668 R669 M672	I492-L665 HydrophobicContact CG2-CD2 3.35Å; G638-L665 WeakPolarHBondContact O-CD1 3.37Å; I641-L665 HydrophobicContact CB-CD1 4.48Å; I641-L665 HydrophobicContact CG2-CD1 4.31Å; I641-L665 HydrophobicContact CG2-CD2 3.62Å; A642-L665 HydrophobicContact CB-CD1 3.68Å; T661-L665 WeakPolarHBondContact O-CG 3.43Å; T661-L665 PolarHBondContact O-N 3.37Å; V662-L665 PolarHBondContact O-N 3.12Å; K663-L665 VanDerWaalsContact C-N 3.35Å; K663-L665 PolarHBondContact O-N 3.28Å; L665-M667 VanDerWaalsContact C-N 3.29Å; L665-M667 PolarHBondContact O-N 3.24Å; L665-Q668 PolarHBondContact O-N 2.9Å; L665-Q668 VanDerWaalsContact O-N 3.08Å; L665-R669 PolarHBondContact O-N 3.08Å; L665-M672 HydrophobicContact CB-CB 3.64Å; L665-M672 HydrophobicContact CB-CE 4.27Å; L665-M672 HydrophobicContact CB-CG 4.01Å; L665-M672 HydrophobicContact CD1-CE 4.42Å; L665-M672 HydrophobicContact CD2-CE 4.42Å
666	R	96.2	Very high	95.7	Very high	22 Å²	22	18.5 Å²	18.5	8%	0.083	10%	0.098	C	C	.	.	H	α-helix	trans	-66.9	-28.4	178.2	-74.4	-169.4	176.3	-167.6	6.5	113.8	F435 L438 T439 M441 V662 K663 S664 Q668 R669 M672 V673	F435-R666 VanDerWaalsContact CE2-NH2 3.28Å; L438-R666 PolarHBondContact O-NH1 3.18Å; T439-R666 VanDerWaalsContact CA-NH1 3.33Å; M441-R666 HydrophobicContact CE-CB 4.24Å; M441-R666 HydrophobicContact SD-CB 4.25Å; V662-R666 WeakPolarHBondContact O-CG 3.39Å; V662-R666 PolarHBondContact O-N 3.42Å; K663-R666 PolarHBondContact O-N 3.41Å; S664-R666 VanDerWaalsContact C-N 3.34Å; S664-R666 PolarHBondContact O-N 3.24Å; R666-Q668 VanDerWaalsContact C-N 3.29Å; R666-R669 WeakPolarHBondContact CA-O 3.47Å; R666-M672 HydrophobicContact CG-CB 4.14Å; R666-M672 WeakPolarHBondContact CG-O 3.19Å; R666-M672 PolarHBondContact NE-O 3.39Å; R666-V673 PolarHBondContact NH2-O 3.17Å
667	M	93.2	Very high	95.8	Very high	32 Å²	32	23.3 Å²	23.3	16%	0.158	12%	0.12	C	C	.	.	H	α-helix	trans	-69.9	-26.9	171.8	-72.7	-170.8	-62.4	0	0	112.4	F313 S314 M441 Y468 K663 S664 L665	F313-M667 HydrophobicContact CE1-CB 4.21Å; S314-M667 WeakPolarHBondContact OG-CE 3.42Å; M441-M667 HydrophobicContact CE-CG 3.72Å; Y468-M667 WeakPolarHBondContact CD2-O 3.4Å; Y468-M667 VanDerWaalsContact CE2-O 3.31Å; Y468-M667 WeakPolarHBondContact CE2-O 3.45Å; K663-M667 WeakPolarHBondContact O-CG 3.37Å; K663-M667 PolarHBondContact O-N 2.88Å; S664-M667 WeakPolarHBondContact O-CB 3.45Å; S664-M667 PolarHBondContact O-N 2.83Å; L665-M667 VanDerWaalsContact C-N 3.29Å; L665-M667 PolarHBondContact O-N 3.24Å
668	Q	95.3	Very high	96	Very high	18 Å²	18	24.1 Å²	24.1	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-95.7	-30.4	-179.2	-64.4	176.5	64.6	0	0	113	Y468 N471 I492 S664 L665 R666	Y468-Q668 WeakPolarHBondContact CD2-O 3.29Å; N471-Q668 PolarHBondContact ND2-O 3.23Å; N471-Q668 PolarHBondContact OD1-O 3.03Å; I492-Q668 VanDerWaalsContact CA-OE1 3.29Å; I492-Q668 HydrophobicContact CD1-CB 3.63Å; S664-Q668 WeakPolarHBondContact O-CG 3.44Å; S664-Q668 PolarHBondContact O-N 3.15Å; S664-Q668 PolarHBondContact O-NE2 2.78Å; S664-Q668 PolarHBondContact OG-NE2 3.07Å; L665-Q668 PolarHBondContact O-N 2.9Å; L665-Q668 VanDerWaalsContact O-N 3.08Å; R666-Q668 VanDerWaalsContact C-N 3.29Å
669	R	97.6	Very high	96	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-147.3	133.9	173.8	-177.3	172.2	177.4	81.9	0.2	110.8	N488 S490 I492 A632 G633 L665 R666 M672	N488-R669 PolarHBondContact OD1-NH1 3.47Å; N488-R669 VanDerWaalsContact OD1-NH1 3.07Å; N488-R669 PolarHBondContact OD1-NH2 2.94Å; S490-R669 PolarHBondContact OG-NH1 3.46Å; I492-R669 HydrophobicContact CD1-CB 3.94Å; A632-R669 PolarHBondContact O-NH2 3.06Å; A632-R669 VanDerWaalsContact O-NH2 3.13Å; G633-R669 WeakPolarHBondContact O-CD 3.46Å; G633-R669 PolarHBondContact O-NE 3.22Å; L665-R669 PolarHBondContact O-N 3.08Å; R666-R669 WeakPolarHBondContact CA-O 3.47Å; R669-M672 HydrophobicContact CB-CG 3.84Å; R669-M672 HydrophobicContact CB-SD 4.13Å; R669-M672 HydrophobicContact CG-CG 4.33Å; R669-M672 HydrophobicContact CG-SD 4.22Å; R669-M672 WeakPolarHBondContact O-CG 3.35Å
670	P	96.8	Very high	96	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	143.8	179.8	-25.2	33.4	0	0	0	113.4	I443 M448 I466 Y468 M672	I443-P670 HydrophobicContact CG2-CG 4.29Å; M448-P670 HydrophobicContact CE-CG 3.95Å; M448-P670 HydrophobicContact SD-CG 4.28Å; I466-P670 WeakPolarHBondContact O-CD 3.49Å; Y468-P670 HydrophobicContact CE1-CG 4Å; Y468-P670 HydrophobicContact CE2-CG 4.15Å; P670-M672 VanDerWaalsContact C-N 3.26Å; P670-M672 PolarHBondContact O-N 3.04Å
671	H	96.6	Very high	96.2	Very high	55 Å²	55	24.8 Å²	24.8	26%	0.255	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	18.4	171	-56.3	-73.8	0	0	0	116.8	I443 A634 V673	I443-H671 WeakPolarHBondContact CD1-NE2 3.48Å; A634-H671 HydrophobicContact CB-CB 4.24Å; H671-V673 PolarHBondContact O-N 3.41Å
672	M	98.3	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-56.1	129.6	171.8	-66.3	-68	-84.6	0	0	110.6	A503 A634 T637 I641 L665 R666 R669 P670	A503-M672 HydrophobicContact CB-CE 4.19Å; A634-M672 WeakPolarHBondContact O-CA 3.48Å; T637-M672 HydrophobicContact CG2-CE 4.44Å; I641-M672 HydrophobicContact CD1-CE 3.97Å; L665-M672 HydrophobicContact CB-CB 3.64Å; L665-M672 HydrophobicContact CB-CE 4.27Å; L665-M672 HydrophobicContact CB-CG 4.01Å; L665-M672 HydrophobicContact CD1-CE 4.42Å; L665-M672 HydrophobicContact CD2-CE 4.42Å; R666-M672 HydrophobicContact CG-CB 4.14Å; R666-M672 WeakPolarHBondContact CG-O 3.19Å; R666-M672 PolarHBondContact NE-O 3.39Å; R669-M672 HydrophobicContact CB-CG 3.84Å; R669-M672 HydrophobicContact CB-SD 4.13Å; R669-M672 HydrophobicContact CG-CG 4.33Å; R669-M672 HydrophobicContact CG-SD 4.22Å; R669-M672 WeakPolarHBondContact O-CG 3.35Å; P670-M672 VanDerWaalsContact C-N 3.26Å; P670-M672 PolarHBondContact O-N 3.04Å
673	V	98.2	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	54.5	89.6	-166.4	-173	0	0	0	0	110.1	A634 A642 V662 R666 H671 Q678 Y679	A634-V673 PolarHBondContact O-N 2.82Å; A642-V673 HydrophobicContact CB-CG2 4.39Å; V662-V673 HydrophobicContact CG1-CB 3.78Å; V662-V673 HydrophobicContact CG1-CG1 4.47Å; V662-V673 HydrophobicContact CG1-CG2 3.98Å; V662-V673 HydrophobicContact CG2-CB 4.32Å; V662-V673 HydrophobicContact CG2-CG2 3.83Å; R666-V673 PolarHBondContact NH2-O 3.17Å; H671-V673 PolarHBondContact O-N 3.41Å; V673-Q678 HydrophobicContact CG1-CB 3.79Å; V673-Y679 HydrophobicContact CG1-CD2 4.33Å
674	Q	96.2	Very high	96.2	Very high	95 Å²	95	26.8 Å²	26.8	44%	0.444	13%	0.133	S	C	.	.			trans	-86.3	-27.7	-160.2	-169.5	174	10.2	0	0	114
675	T	96.7	Very high	96.3	Very high	49 Å²	49	25 Å²	25	30%	0.301	12%	0.12	S	C	.	.	S	Bend	trans	-121.7	157.5	-176.7	67.2	0	0	0	0	111.7	E677 Q678 Y679	T675-E677 PolarHBondContact O-N 3.18Å; T675-Q678 WeakPolarHBondContact O-CB 3.29Å; T675-Q678 PolarHBondContact O-N 3.35Å; T675-Q678 VanDerWaalsContact O-N 3.15Å; T675-Q678 VanDerWaalsContact OG1-CG 3.31Å; T675-Q678 WeakPolarHBondContact OG1-CG 3.26Å; T675-Q678 PolarHBondContact OG1-N 2.88Å; T675-Y679 PolarHBondContact O-N 2.96Å; T675-Y679 VanDerWaalsContact O-N 3.11Å
676	V	95.3	Very high	96.3	Very high	42 Å²	42	24.9 Å²	24.9	26%	0.255	12%	0.12	S	C	.	.	H	α-helix	trans	-61.8	-35	174.8	65.1	0	0	0	0	111.6	L431 E432 F435 Q678 Y679 D680	L431-V676 HydrophobicContact CD2-CG2 3.86Å; L431-V676 HydrophobicContact CG-CG2 4.04Å; E432-V676 HydrophobicContact CG-CG2 4.28Å; F435-V676 HydrophobicContact CB-CB 4.48Å; F435-V676 HydrophobicContact CB-CG2 4.14Å; F435-V676 HydrophobicContact CD1-CB 3.84Å; F435-V676 HydrophobicContact CD1-CG2 4.41Å; F435-V676 HydrophobicContact CE1-CB 4.29Å; F435-V676 HydrophobicContact CG-CB 4.16Å; F435-V676 HydrophobicContact CG-CG2 4.33Å; V676-Q678 VanDerWaalsContact C-N 3.33Å; V676-Q678 PolarHBondContact O-N 3.49Å; V676-Y679 CarbonylContact O-C 3.39Å; V676-Y679 WeakPolarHBondContact O-CA 3.23Å; V676-Y679 VanDerWaalsContact O-CB 3.31Å; V676-Y679 WeakPolarHBondContact O-CB 3.45Å; V676-Y679 PolarHBondContact O-N 3.33Å; V676-Y679 VanDerWaalsContact O-N 3.08Å; V676-D680 PolarHBondContact O-N 3.5Å
677	E	95.7	Very high	96.1	Very high	102 Å²	102	25.4 Å²	25.4	48%	0.477	12%	0.123	S	C	.	.	H	α-helix	trans	-61.1	-42.2	174	-59.3	167.9	168.1	0	0	111.2	I600 T675 Y679 D680 F681	I600-E677 HydrophobicContact CD1-CB 4.25Å; I600-E677 WeakPolarHBondContact CD1-O 3.4Å; I600-E677 HydrophobicContact CG2-CB 3.93Å; T675-E677 PolarHBondContact O-N 3.18Å; E677-Y679 PolarHBondContact O-N 2.88Å; E677-D680 PolarHBondContact O-N 3.42Å; E677-F681 WeakPolarHBondContact O-CB 3.43Å; E677-F681 PolarHBondContact O-N 2.84Å
678	Q	97.6	Very high	96.1	Very high	19 Å²	19	26.2 Å²	26.2	9%	0.089	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-31.7	175.3	-74.5	167.5	10	0	0	112.2	W595 I600 G635 V673 T675 V676 C682	W595-Q678 HydrophobicContact CH2-CG 4.39Å; W595-Q678 HydrophobicContact CZ2-CG 3.98Å; I600-Q678 HydrophobicContact CG2-CG 4.22Å; G635-Q678 VanDerWaalsContact CA-OE1 3.22Å; V673-Q678 HydrophobicContact CG1-CB 3.79Å; T675-Q678 WeakPolarHBondContact O-CB 3.29Å; T675-Q678 PolarHBondContact O-N 3.35Å; T675-Q678 VanDerWaalsContact O-N 3.15Å; T675-Q678 VanDerWaalsContact OG1-CG 3.31Å; T675-Q678 WeakPolarHBondContact OG1-CG 3.26Å; T675-Q678 PolarHBondContact OG1-N 2.88Å; V676-Q678 VanDerWaalsContact C-N 3.33Å; V676-Q678 PolarHBondContact O-N 3.49Å; Q678-C682 PolarHBondContact O-N 2.88Å; Q678-C682 PolarHBondContact O-SG 3.3Å; Q678-C682 VanDerWaalsContact O-SG 3.36Å
679	Y	97.3	Very high	96	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.5	-46.1	176.1	-169.7	-110.6	0	0	0	111.7	L431 E434 F435 L438 V658 F659 V662 V673 T675 V676 E677 F681 C682 Y683	L431-Y679 HydrophobicContact CD1-CD1 3.81Å; L431-Y679 HydrophobicContact CD1-CE1 4.16Å; E434-Y679 HydrophobicContact CB-CE1 4.39Å; E434-Y679 HydrophobicContact CG-CE1 3.99Å; E434-Y679 WeakPolarHBondContact OE1-CE1 3.26Å; E434-Y679 VanDerWaalsContact OE1-CZ 3.29Å; E434-Y679 PolarHBondContact OE1-OH 3.29Å; F435-Y679 HydrophobicContact CB-CD1 4.2Å; F435-Y679 HydrophobicContact CD2-CD1 4.1Å; F435-Y679 HydrophobicContact CD2-CD2 4.04Å; F435-Y679 AromaticContact CD2-CG 3.64Å; F435-Y679 HydrophobicContact CD2-CG 3.64Å; F435-Y679 HydrophobicContact CE2-CG 4.31Å; L438-Y679 HydrophobicContact CD1-CD2 4Å; L438-Y679 HydrophobicContact CD1-CE2 3.53Å; V658-Y679 HydrophobicContact CG1-CD2 4.31Å; V658-Y679 HydrophobicContact CG1-CE2 3.73Å; F659-Y679 WeakPolarHBondContact CA-OH 3.42Å; F659-Y679 WeakPolarHBondContact CB-OH 3.33Å; F659-Y679 PolarHBondContact N-OH 3.44Å; V662-Y679 HydrophobicContact CB-CD2 4.47Å; V662-Y679 HydrophobicContact CB-CE2 4.13Å; V662-Y679 HydrophobicContact CG1-CD2 4.48Å; V662-Y679 HydrophobicContact CG2-CD2 4Å; V662-Y679 HydrophobicContact CG2-CE2 3.85Å; V673-Y679 HydrophobicContact CG1-CD2 4.33Å; T675-Y679 PolarHBondContact O-N 2.96Å; T675-Y679 VanDerWaalsContact O-N 3.11Å; V676-Y679 CarbonylContact O-C 3.39Å; V676-Y679 WeakPolarHBondContact O-CA 3.23Å; V676-Y679 VanDerWaalsContact O-CB 3.31Å; V676-Y679 WeakPolarHBondContact O-CB 3.45Å; V676-Y679 PolarHBondContact O-N 3.33Å; V676-Y679 VanDerWaalsContact O-N 3.08Å; E677-Y679 PolarHBondContact O-N 2.88Å; Y679-F681 VanDerWaalsContact C-N 3.28Å; Y679-F681 PolarHBondContact O-N 3.38Å; Y679-C682 VanDerWaalsContact O-CB 3.31Å; Y679-C682 WeakPolarHBondContact O-CB 3.43Å; Y679-C682 PolarHBondContact O-N 3.48Å; Y679-C682 VanDerWaalsContact O-N 3.14Å; Y679-Y683 HydrophobicContact CD1-CE2 4.32Å; Y679-Y683 HydrophobicContact CE1-CD2 4.32Å; Y679-Y683 AromaticContact CE1-CE2 3.64Å; Y679-Y683 HydrophobicContact CE1-CE2 3.64Å; Y679-Y683 AromaticContact CZ-CE2 3.89Å; Y679-Y683 PolarHBondContact O-N 3.4Å
680	D	95.4	Very high	95.6	Very high	22 Å²	22	26.4 Å²	26.4	12%	0.118	13%	0.13	C	C	.	.	H	α-helix	trans	-55.7	-45.3	170.4	-170.6	53.6	0	0	0	111.4	H420 L431 V676 E677 C682 Y683 R684	H420-D680 IonicContact CD2-OD1 3.63Å; H420-D680 IonicContact CE1-OD1 3.94Å; H420-D680 PolarHBondContact CE1-OD1 3.32Å; H420-D680 IonicContact NE2-OD1 3.38Å; H420-D680 PolarHBondContact NE2-OD1 2.84Å; L431-D680 HydrophobicContact CD2-CB 3.7Å; V676-D680 PolarHBondContact O-N 3.5Å; E677-D680 PolarHBondContact O-N 3.42Å; D680-C682 PolarHBondContact O-N 2.87Å; D680-Y683 WeakPolarHBondContact O-CA 3.31Å; D680-Y683 WeakPolarHBondContact O-CB 3.42Å; D680-Y683 PolarHBondContact O-N 3.45Å; D680-R684 WeakPolarHBondContact O-CG 3.32Å; D680-R684 PolarHBondContact O-N 3.34Å; D680-R684 IonicContact OD2-NH1 3.9Å
681	F	96.9	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-34.2	179.4	-171.1	-116.8	0	0	0	112.3	I600 P601 M607 T639 L643 E677 Y679 Y683 R684 V685	I600-F681 HydrophobicContact CB-CB 4.24Å; I600-F681 HydrophobicContact CB-CD2 4.28Å; I600-F681 HydrophobicContact CB-CG 4.22Å; I600-F681 HydrophobicContact CD1-CB 3.87Å; I600-F681 HydrophobicContact CD1-CD2 4.2Å; I600-F681 HydrophobicContact CD1-CG 4.38Å; I600-F681 HydrophobicContact CG2-CB 4.15Å; P601-F681 HydrophobicContact CB-CE2 3.78Å; P601-F681 HydrophobicContact CB-CZ 3.63Å; P601-F681 HydrophobicContact CG-CE1 3.92Å; P601-F681 HydrophobicContact CG-CE2 4.03Å; P601-F681 HydrophobicContact CG-CZ 3.51Å; P601-F681 WeakPolarHBondContact O-CE2 3.34Å; M607-F681 HydrophobicContact CB-CE1 4.44Å; M607-F681 HydrophobicContact CB-CZ 4.44Å; M607-F681 HydrophobicContact CE-CE1 4.39Å; M607-F681 HydrophobicContact CG-CE1 4.47Å; T639-F681 HydrophobicContact CG2-CD1 3.87Å; T639-F681 HydrophobicContact CG2-CE1 4.49Å; L643-F681 HydrophobicContact CD1-CE1 4.48Å; E677-F681 WeakPolarHBondContact O-CB 3.43Å; E677-F681 PolarHBondContact O-N 2.84Å; Y679-F681 VanDerWaalsContact C-N 3.28Å; Y679-F681 PolarHBondContact O-N 3.38Å; F681-Y683 VanDerWaalsContact C-N 3.34Å; F681-Y683 PolarHBondContact O-N 2.87Å; F681-R684 PolarHBondContact O-N 2.86Å; F681-V685 HydrophobicContact CD1-CG2 3.98Å; F681-V685 HydrophobicContact CD2-CG2 4.08Å; F681-V685 HydrophobicContact CE1-CG2 3.58Å; F681-V685 HydrophobicContact CE2-CG2 3.68Å; F681-V685 HydrophobicContact CG-CG2 4.22Å; F681-V685 HydrophobicContact CZ-CG2 3.41Å; F681-V685 VanDerWaalsContact CZ-CG2 3.41Å; F681-V685 WeakPolarHBondContact O-CG2 3.34Å; F681-V685 PolarHBondContact O-N 3.41Å
682	C	97.8	Very high	94.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-47.8	173.7	-69.1	0	0	0	0	111.2	L643 V658 Q678 Y679 D680 V686	L643-C682 HydrophobicContact CD2-CB 4.3Å; L643-C682 WeakPolarHBondContact CD2-O 3.5Å; V658-C682 HydrophobicContact CG1-CB 3.75Å; Q678-C682 PolarHBondContact O-N 2.88Å; Q678-C682 PolarHBondContact O-SG 3.3Å; Q678-C682 VanDerWaalsContact O-SG 3.36Å; Y679-C682 VanDerWaalsContact O-CB 3.31Å; Y679-C682 WeakPolarHBondContact O-CB 3.43Å; Y679-C682 PolarHBondContact O-N 3.48Å; Y679-C682 VanDerWaalsContact O-N 3.14Å; D680-C682 PolarHBondContact O-N 2.87Å; C682-V686 VanDerWaalsContact O-CG2 3.25Å; C682-V686 WeakPolarHBondContact O-CG2 3.31Å; C682-V686 PolarHBondContact O-N 2.95Å
683	Y	95.7	Very high	94	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-47.3	177.4	-86.9	-65.1	0	0	0	112.3	L407 L412 H415 L416 L419 L431 E434 V658 Y679 D680 F681 V685 V686 Q687	L407-Y683 HydrophobicContact CD1-CE1 4.42Å; L412-Y683 HydrophobicContact CD1-CD1 4.07Å; H415-Y683 AromaticContact CD2-CE1 3.9Å; H415-Y683 AromaticContact NE2-CZ 3.89Å; H415-Y683 PolarHBondContact NE2-OH 3.5Å; L416-Y683 HydrophobicContact CD2-CD1 3.63Å; L416-Y683 HydrophobicContact CD2-CE1 4.5Å; L416-Y683 HydrophobicContact CD2-CG 3.65Å; L419-Y683 HydrophobicContact CD1-CD2 4.25Å; L419-Y683 HydrophobicContact CD1-CE1 4.46Å; L419-Y683 HydrophobicContact CD1-CE2 3.81Å; L431-Y683 HydrophobicContact CD1-CD2 4.18Å; L431-Y683 HydrophobicContact CD1-CE2 4.37Å; E434-Y683 PolarHBondContact OE1-OH 2.99Å; V658-Y683 HydrophobicContact CB-CD1 4.34Å; V658-Y683 HydrophobicContact CB-CD2 4.43Å; V658-Y683 HydrophobicContact CB-CE1 3.83Å; V658-Y683 HydrophobicContact CB-CE2 3.94Å; V658-Y683 HydrophobicContact CG1-CD2 4.22Å; V658-Y683 HydrophobicContact CG1-CE2 4Å; V658-Y683 HydrophobicContact CG2-CD1 3.6Å; V658-Y683 HydrophobicContact CG2-CD2 4.4Å; V658-Y683 HydrophobicContact CG2-CE1 3.39Å; V658-Y683 HydrophobicContact CG2-CE2 4.24Å; V658-Y683 HydrophobicContact CG2-CG 4.1Å; Y679-Y683 HydrophobicContact CD1-CE2 4.32Å; Y679-Y683 HydrophobicContact CE1-CD2 4.32Å; Y679-Y683 AromaticContact CE1-CE2 3.64Å; Y679-Y683 HydrophobicContact CE1-CE2 3.64Å; Y679-Y683 AromaticContact CZ-CE2 3.89Å; Y679-Y683 PolarHBondContact O-N 3.4Å; D680-Y683 WeakPolarHBondContact O-CA 3.31Å; D680-Y683 WeakPolarHBondContact O-CB 3.42Å; D680-Y683 PolarHBondContact O-N 3.45Å; F681-Y683 VanDerWaalsContact C-N 3.34Å; F681-Y683 PolarHBondContact O-N 2.87Å; Y683-V685 PolarHBondContact O-N 2.92Å; Y683-V686 PolarHBondContact O-N 3.17Å; Y683-V686 VanDerWaalsContact O-N 3.17Å; Y683-Q687 PolarHBondContact O-N 3.03Å
684	R	93.7	Very high	92.8	Very high	65 Å²	65	40.3 Å²	40.3	25%	0.245	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-42	-179.5	-62.3	-168.8	-24.4	-147.5	7.7	113	P601 A602 D680 F681 V686 Q687 D688	P601-R684 PolarHBondContact O-NH2 3.49Å; A602-R684 PolarHBondContact O-NH2 2.77Å; D680-R684 WeakPolarHBondContact O-CG 3.32Å; D680-R684 PolarHBondContact O-N 3.34Å; D680-R684 IonicContact OD2-NH1 3.9Å; F681-R684 PolarHBondContact O-N 2.86Å; R684-V686 VanDerWaalsContact C-N 3.25Å; R684-V686 PolarHBondContact O-N 2.88Å; R684-Q687 WeakPolarHBondContact O-CB 3.28Å; R684-Q687 PolarHBondContact O-N 3.36Å; R684-Q687 VanDerWaalsContact O-N 3.17Å; R684-D688 PolarHBondContact O-N 2.98Å
685	V	96.1	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-34.2	177.6	173	0	0	0	0	111.2	M607 I608 L643 L647 F681 Y683 F689	M607-V685 HydrophobicContact CB-CG2 4.47Å; I608-V685 HydrophobicContact CD1-CG1 4.28Å; I608-V685 HydrophobicContact CG1-CG1 3.79Å; L643-V685 HydrophobicContact CD1-CB 4.01Å; L643-V685 HydrophobicContact CD1-CG1 3.96Å; L643-V685 HydrophobicContact CD1-CG2 3.92Å; L643-V685 HydrophobicContact CD2-CB 3.69Å; L643-V685 HydrophobicContact CD2-CG1 3.72Å; L643-V685 HydrophobicContact CD2-CG2 4.47Å; L643-V685 HydrophobicContact CG-CG1 4.41Å; L647-V685 HydrophobicContact CD1-CG1 4.5Å; F681-V685 HydrophobicContact CD1-CG2 3.98Å; F681-V685 HydrophobicContact CD2-CG2 4.08Å; F681-V685 HydrophobicContact CE1-CG2 3.58Å; F681-V685 HydrophobicContact CE2-CG2 3.68Å; F681-V685 HydrophobicContact CG-CG2 4.22Å; F681-V685 HydrophobicContact CZ-CG2 3.41Å; F681-V685 VanDerWaalsContact CZ-CG2 3.41Å; F681-V685 WeakPolarHBondContact O-CG2 3.34Å; F681-V685 PolarHBondContact O-N 3.41Å; Y683-V685 PolarHBondContact O-N 2.92Å; V685-F689 VanDerWaalsContact O-CB 3.28Å; V685-F689 WeakPolarHBondContact O-CB 3.36Å; V685-F689 PolarHBondContact O-N 2.93Å
686	V	95.3	Very high	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-40.8	174.9	-179	0	0	0	0	110.6	L412 L643 I646 L647 V650 L656 C682 Y683 R684 F689 V690	L412-V686 HydrophobicContact CD2-CB 4.35Å; L412-V686 HydrophobicContact CD2-CG1 3.85Å; L643-V686 HydrophobicContact CD2-CG2 4.15Å; I646-V686 HydrophobicContact CB-CG2 4.4Å; I646-V686 HydrophobicContact CG2-CG1 4.41Å; I646-V686 HydrophobicContact CG2-CG2 3.51Å; L647-V686 HydrophobicContact CD2-CG2 4.16Å; V650-V686 HydrophobicContact CG2-CG1 4.18Å; L656-V686 HydrophobicContact CD1-CG1 3.89Å; C682-V686 VanDerWaalsContact O-CG2 3.25Å; C682-V686 WeakPolarHBondContact O-CG2 3.31Å; C682-V686 PolarHBondContact O-N 2.95Å; Y683-V686 PolarHBondContact O-N 3.17Å; Y683-V686 VanDerWaalsContact O-N 3.17Å; R684-V686 VanDerWaalsContact C-N 3.25Å; R684-V686 PolarHBondContact O-N 2.88Å; V686-F689 PolarHBondContact O-N 3.45Å; V686-V690 VanDerWaalsContact O-CG2 3.3Å; V686-V690 WeakPolarHBondContact O-CG2 3.36Å; V686-V690 PolarHBondContact O-N 3.23Å
687	Q	93.1	Very high	88.5	Confident	32 Å²	32	46.5 Å²	46.5	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-52.3	172.9	-175.5	64.7	57.3	0	0	111.2	L412 L416 Y683 R684 F689 V690 D691	L412-Q687 HydrophobicContact CD2-CB 4.21Å; L416-Q687 HydrophobicContact CD1-CB 4.05Å; L416-Q687 HydrophobicContact CD1-CG 4.28Å; Y683-Q687 PolarHBondContact O-N 3.03Å; R684-Q687 WeakPolarHBondContact O-CB 3.28Å; R684-Q687 PolarHBondContact O-N 3.36Å; R684-Q687 VanDerWaalsContact O-N 3.17Å; Q687-F689 PolarHBondContact O-N 2.99Å; Q687-V690 PolarHBondContact O-N 3.03Å; Q687-D691 PolarHBondContact NE2-OD1 3.32Å; Q687-D691 PolarHBondContact NE2-OD2 2.97Å; Q687-D691 VanDerWaalsContact O-CG 3.27Å; Q687-D691 PolarHBondContact O-N 3.5Å
688	D	92.8	Very high	86.9	Confident	49 Å²	49	45.4 Å²	45.4	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-55.4	-40.9	177	-69.3	-12.5	0	0	0	111.3	G604 I608 R684 D691 I692	G604-D688 WeakPolarHBondContact CA-OD2 3.46Å; G604-D688 PolarHBondContact N-OD2 3.35Å; I608-D688 HydrophobicContact CD1-CB 4.14Å; R684-D688 PolarHBondContact O-N 2.98Å; D688-D691 PolarHBondContact O-N 3.49Å; D688-I692 WeakPolarHBondContact O-CB 3.45Å; D688-I692 VanDerWaalsContact O-CD1 3.31Å; D688-I692 WeakPolarHBondContact O-CD1 3.29Å; D688-I692 WeakPolarHBondContact O-CG1 3.33Å; D688-I692 PolarHBondContact O-N 3.4Å
689	F	92.7	Very high	85	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-44.6	177.5	179.5	-96.9	0	0	0	112.1	I608 L647 V650 K651 V685 V686 Q687 D691 Y693 F699	I608-F689 HydrophobicContact CD1-CB 3.8Å; I608-F689 HydrophobicContact CD1-CD2 4.33Å; I608-F689 HydrophobicContact CG1-CB 4.36Å; I608-F689 HydrophobicContact CG1-CD2 4.39Å; I608-F689 HydrophobicContact CG2-CD2 3.88Å; I608-F689 HydrophobicContact CG2-CE2 4.43Å; L647-F689 HydrophobicContact CD1-CD2 4.37Å; L647-F689 HydrophobicContact CD2-CB 3.66Å; L647-F689 HydrophobicContact CD2-CD1 3.73Å; L647-F689 HydrophobicContact CD2-CD2 4.12Å; L647-F689 HydrophobicContact CD2-CE1 4.45Å; L647-F689 HydrophobicContact CD2-CG 3.55Å; V650-F689 HydrophobicContact CG1-CD1 4.16Å; V650-F689 HydrophobicContact CG1-CE1 4.02Å; K651-F689 HydrophobicContact CD-CZ 4.04Å; K651-F689 HydrophobicContact CG-CE1 4Å; K651-F689 HydrophobicContact CG-CZ 3.67Å; V685-F689 VanDerWaalsContact O-CB 3.28Å; V685-F689 WeakPolarHBondContact O-CB 3.36Å; V685-F689 PolarHBondContact O-N 2.93Å; V686-F689 PolarHBondContact O-N 3.45Å; Q687-F689 PolarHBondContact O-N 2.99Å; F689-D691 VanDerWaalsContact C-N 3.32Å; F689-Y693 AromaticContact CD2-CD2 3.53Å; F689-Y693 HydrophobicContact CD2-CD2 3.53Å; F689-Y693 AromaticContact CD2-CE2 3.62Å; F689-Y693 HydrophobicContact CD2-CE2 3.62Å; F689-Y693 HydrophobicContact CE1-CD2 4.41Å; F689-Y693 AromaticContact CE2-CD2 3.3Å; F689-Y693 HydrophobicContact CE2-CD2 3.3Å; F689-Y693 AromaticContact CE2-CE2 3.36Å; F689-Y693 HydrophobicContact CE2-CE2 3.36Å; F689-Y693 HydrophobicContact CE2-CG 4.26Å; F689-Y693 HydrophobicContact CG-CD2 4.14Å; F689-Y693 AromaticContact CZ-CD2 3.75Å; F689-Y693 HydrophobicContact CZ-CD2 3.75Å; F689-Y693 HydrophobicContact CZ-CE2 4.21Å; F689-Y693 HydrophobicContact CZ-CG 4.33Å; F689-Y693 VanDerWaalsContact O-CD2 3.28Å; F689-Y693 WeakPolarHBondContact O-CD2 3.27Å; F689-Y693 PolarHBondContact O-N 3.34Å; F689-F699 HydrophobicContact CD1-CZ 4.5Å; F689-F699 HydrophobicContact CE1-CE2 4.41Å; F689-F699 AromaticContact CE1-CZ 3.85Å; F689-F699 HydrophobicContact CE1-CZ 3.85Å
690	V	89.9	Confident	82.8	Confident	18 Å²	18	55.1 Å²	55.1	11%	0.109	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-41.6	177	170.7	0	0	0	0	110.6	V409 V650 V686 Q687 Y693 S694	V409-V690 HydrophobicContact CG1-CB 4.21Å; V409-V690 HydrophobicContact CG1-CG1 3.52Å; V409-V690 HydrophobicContact CG1-CG2 3.55Å; V409-V690 HydrophobicContact CG2-CG2 4.33Å; V650-V690 HydrophobicContact CG1-CG2 4.48Å; V686-V690 VanDerWaalsContact O-CG2 3.3Å; V686-V690 WeakPolarHBondContact O-CG2 3.36Å; V686-V690 PolarHBondContact O-N 3.23Å; Q687-V690 PolarHBondContact O-N 3.03Å; V690-Y693 CarbonylContact O-C 3.56Å; V690-Y693 PolarHBondContact O-N 3.46Å; V690-S694 WeakPolarHBondContact O-CA 3.31Å; V690-S694 PolarHBondContact O-N 3.4Å
691	D	87.7	Confident	82.1	Confident	89 Å²	89	56.8 Å²	56.8	48%	0.476	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-45.3	-179.8	-65.1	-18.8	0	0	0	111.6	Q687 D688 F689 Y693 S694	Q687-D691 PolarHBondContact NE2-OD1 3.32Å; Q687-D691 PolarHBondContact NE2-OD2 2.97Å; Q687-D691 VanDerWaalsContact O-CG 3.27Å; Q687-D691 PolarHBondContact O-N 3.5Å; D688-D691 PolarHBondContact O-N 3.49Å; F689-D691 VanDerWaalsContact C-N 3.32Å; D691-Y693 VanDerWaalsContact C-N 3.3Å; D691-Y693 PolarHBondContact O-N 2.98Å; D691-S694 PolarHBondContact O-OG 3.01Å
692	I	86.1	Confident	81.4	Confident	91 Å²	91	59.7 Å²	59.7	47%	0.467	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-37.4	177.4	-68.7	163.9	0	0	0	111.4	I608 D688	I608-I692 HydrophobicContact CD1-CD1 3.99Å; D688-I692 WeakPolarHBondContact O-CB 3.45Å; D688-I692 VanDerWaalsContact O-CD1 3.31Å; D688-I692 WeakPolarHBondContact O-CD1 3.29Å; D688-I692 WeakPolarHBondContact O-CG1 3.33Å; D688-I692 PolarHBondContact O-N 3.4Å
693	Y	83.1	Confident	80.5	Confident	100 Å²	100	63.1 Å²	63.1	39%	0.392	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	30.1	-175.4	-62.7	-79	0	0	0	112.9	I608 F689 V690 D691 D695 Y696 F699	I608-Y693 HydrophobicContact CG2-CE2 4.38Å; F689-Y693 AromaticContact CD2-CD2 3.53Å; F689-Y693 HydrophobicContact CD2-CD2 3.53Å; F689-Y693 AromaticContact CD2-CE2 3.62Å; F689-Y693 HydrophobicContact CD2-CE2 3.62Å; F689-Y693 HydrophobicContact CE1-CD2 4.41Å; F689-Y693 AromaticContact CE2-CD2 3.3Å; F689-Y693 HydrophobicContact CE2-CD2 3.3Å; F689-Y693 AromaticContact CE2-CE2 3.36Å; F689-Y693 HydrophobicContact CE2-CE2 3.36Å; F689-Y693 HydrophobicContact CE2-CG 4.26Å; F689-Y693 HydrophobicContact CG-CD2 4.14Å; F689-Y693 AromaticContact CZ-CD2 3.75Å; F689-Y693 HydrophobicContact CZ-CD2 3.75Å; F689-Y693 HydrophobicContact CZ-CE2 4.21Å; F689-Y693 HydrophobicContact CZ-CG 4.33Å; F689-Y693 VanDerWaalsContact O-CD2 3.28Å; F689-Y693 WeakPolarHBondContact O-CD2 3.27Å; F689-Y693 PolarHBondContact O-N 3.34Å; V690-Y693 CarbonylContact O-C 3.56Å; V690-Y693 PolarHBondContact O-N 3.46Å; D691-Y693 VanDerWaalsContact C-N 3.3Å; D691-Y693 PolarHBondContact O-N 2.98Å; Y693-D695 PolarHBondContact O-N 3.48Å; Y693-Y696 VanDerWaalsContact O-CB 3.25Å; Y693-Y696 WeakPolarHBondContact O-CB 3.3Å; Y693-Y696 PolarHBondContact O-N 3.03Å; Y693-F699 VanDerWaalsContact O-CD2 3.29Å; Y693-F699 WeakPolarHBondContact O-CD2 3.39Å; Y693-F699 WeakPolarHBondContact O-CE2 3.36Å
694	S	74.4	Confident	79.6	Confident	69 Å²	69	66.7 Å²	66.7	48%	0.483	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21	-173.2	48.4	0	0	0	0	115.2	V690 D691 Y696	V690-S694 WeakPolarHBondContact O-CA 3.31Å; V690-S694 PolarHBondContact O-N 3.4Å; D691-S694 PolarHBondContact O-OG 3.01Å; S694-Y696 VanDerWaalsContact C-N 3.33Å
695	D	70.6	Confident	78.7	Confident	129 Å²	129	66.8 Å²	66.8	69%	0.69	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.2	175.8	-84.3	-42	0	0	0	115.4	Y693 A697 K700	Y693-D695 PolarHBondContact O-N 3.48Å; D695-A697 PolarHBondContact O-N 3.1Å; D695-K700 IonicContact OD1-NZ 2.91Å; D695-K700 PolarHBondContact OD1-NZ 3.27Å
696	Y	64.4	Low	77.5	Confident	109 Å²	109	71.3 Å²	71.3	43%	0.427	37%	0.367	S	S	.	.			trans	-64.3	128.8	-178.7	-152.5	-103.1	0	0	0	111	K651 Y693 S694 N698 F699	K651-Y696 WeakPolarHBondContact O-CE1 3.48Å; Y693-Y696 VanDerWaalsContact O-CB 3.25Å; Y693-Y696 WeakPolarHBondContact O-CB 3.3Å; Y693-Y696 PolarHBondContact O-N 3.03Å; S694-Y696 VanDerWaalsContact C-N 3.33Å; Y696-N698 HydrophobicContact CD1-CB 4.08Å; Y696-N698 HydrophobicContact CE1-CB 4.31Å; Y696-N698 PolarHBondContact O-N 3.1Å; Y696-N698 VanDerWaalsContact O-N 3.1Å; Y696-F699 VanDerWaalsContact CB-CE2 3.49Å; Y696-F699 HydrophobicContact CD1-CE1 4.13Å; Y696-F699 HydrophobicContact CD1-CE2 4.41Å; Y696-F699 HydrophobicContact CD1-CZ 4.03Å; Y696-F699 HydrophobicContact CG-CE2 4.2Å; Y696-F699 HydrophobicContact CG-CZ 4.22Å; Y696-F699 WeakPolarHBondContact O-CB 3.29Å; Y696-F699 PolarHBondContact O-N 3Å
697	A	61.5	Low	76.2	Confident	78 Å²	78	76.4 Å²	76.4	65%	0.645	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-59.3	-29.9	-170.1	0	0	0	0	0	114.1	D695 F699 K700	D695-A697 PolarHBondContact O-N 3.1Å; A697-F699 PolarHBondContact O-N 3.48Å; A697-K700 PolarHBondContact O-N 2.88Å
698	N	63.3	Low	74.9	Confident	79 Å²	79	79.8 Å²	79.8	42%	0.422	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-75.9	-5	177.8	-66.3	-17.4	0	0	0	113.7	K651 G654 Y696	K651-N698 PolarHBondContact O-ND2 3.47Å; G654-N698 WeakPolarHBondContact CA-O 3.28Å; Y696-N698 HydrophobicContact CD1-CB 4.08Å; Y696-N698 HydrophobicContact CE1-CB 4.31Å; Y696-N698 PolarHBondContact O-N 3.1Å; Y696-N698 VanDerWaalsContact O-N 3.1Å
699	F	57.3	Low	73.5	Confident	28 Å²	28	82.3 Å²	82.3	12%	0.123	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-99.9	-1.4	176.4	-52.9	-20.5	0	0	0	112.6	V409 V650 F689 Y693 Y696 A697	V409-F699 HydrophobicContact CB-CD1 4.47Å; V409-F699 HydrophobicContact CG1-CB 4.24Å; V409-F699 HydrophobicContact CG1-CD1 4.17Å; V409-F699 HydrophobicContact CG1-CG 4.18Å; V409-F699 HydrophobicContact CG2-CD1 4.21Å; V409-F699 HydrophobicContact CG2-CE1 4.48Å; V650-F699 HydrophobicContact CG1-CD1 4.39Å; V650-F699 HydrophobicContact CG1-CE1 3.42Å; V650-F699 VanDerWaalsContact CG1-CE1 3.42Å; V650-F699 HydrophobicContact CG1-CZ 3.7Å; F689-F699 HydrophobicContact CD1-CZ 4.5Å; F689-F699 HydrophobicContact CE1-CE2 4.41Å; F689-F699 AromaticContact CE1-CZ 3.85Å; F689-F699 HydrophobicContact CE1-CZ 3.85Å; Y693-F699 VanDerWaalsContact O-CD2 3.29Å; Y693-F699 WeakPolarHBondContact O-CD2 3.39Å; Y693-F699 WeakPolarHBondContact O-CE2 3.36Å; Y696-F699 VanDerWaalsContact CB-CE2 3.49Å; Y696-F699 HydrophobicContact CD1-CE1 4.13Å; Y696-F699 HydrophobicContact CD1-CE2 4.41Å; Y696-F699 HydrophobicContact CD1-CZ 4.03Å; Y696-F699 HydrophobicContact CG-CE2 4.2Å; Y696-F699 HydrophobicContact CG-CZ 4.22Å; Y696-F699 WeakPolarHBondContact O-CB 3.29Å; Y696-F699 PolarHBondContact O-N 3Å; A697-F699 PolarHBondContact O-N 3.48Å
700	K	50.6	Low	71.7	Confident	194 Å²	194	89.5 Å²	89.5	84%	0.843	46%	0.462	S	S	*	.			trans	-106.6	0	-174.7	-70.8	-176.8	177.7	170.1	0	112.8	D695 A697	D695-K700 IonicContact OD1-NZ 2.91Å; D695-K700 PolarHBondContact OD1-NZ 3.27Å; A697-K700 PolarHBondContact O-N 2.88Å

Retrieved 700 of 700 residues in 1245.5 ms (Link to these results)

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