A0A087YIA2_POEFO Loading...

Cysteine desulfurase

AlphaFold DB , UniProt , Accession A0A087YIA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	31.4	Very low	238 Å²	238	152.4 Å²	152.4	100%	1.172	83%	0.829	S	S	*	*				0	130.5	0	-82.9	177	-178.5	0	0	108.4
2	L	29.5	Very low	31	Very low	171 Å²	171	152.9 Å²	152.9	90%	0.895	83%	0.829	S	S	*	*			trans	70.8	100.2	157.4	-58.5	167	0	0	0	119.7
3	S	30.7	Very low	30.7	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	83%	0.829	S	S	*	*			trans	-65.9	163.2	136.4	-152.2	0	0	0	0	109.1
4	P	50.4	Low	30.3	Very low	131 Å²	131	159.9 Å²	159.9	85%	0.851	84%	0.836	S	S	*	*				-158.2	171.3	63.9	38.8	-15.2	0	0	0	118.9
5	G	27.7	Very low	30.1	Very low	64 Å²	64	157.4 Å²	157.4	66%	0.66	83%	0.833	S	S	*	*			trans	144.6	88.9	152.8	0	0	0	0	0	114.5
6	R	32.2	Very low	29.9	Very low	239 Å²	239	153.6 Å²	153.6	90%	0.902	83%	0.831	S	S	*	*				66.7	134.9	101	-74.7	-166.1	-176.9	-170.6	2	113.7
7	T	28.3	Very low	29.7	Very low	107 Å²	107	151.1 Å²	151.1	66%	0.656	83%	0.828	S	S	*	*			cis	-172.9	141.5	9.2	8.1	0	0	0	0	109.8
8	I	28.5	Very low	29.6	Very low	156 Å²	156	156.4 Å²	156.4	80%	0.8	83%	0.834	S	S	*	*			trans	54.2	116.3	136.1	-51.7	159.3	0	0	0	121.2
9	S	27.6	Very low	29.4	Very low	105 Å²	105	156.3 Å²	156.3	73%	0.734	83%	0.833	S	S	*	*				154.5	117.6	109.5	-171.1	0	0	0	0	113.6
10	S	26.6	Very low	29.5	Very low	111 Å²	111	154 Å²	154	78%	0.776	83%	0.827	S	S	*	*				153.6	119.8	114.8	61	0	0	0	0	113.3
11	R	30.4	Very low	29.4	Very low	249 Å²	249	156.6 Å²	156.6	94%	0.94	83%	0.831	S	S	*	*			trans	3.2	121.3	162.1	-65.7	175.1	178.1	-164.8	-1.7	119.4
12	L	27.5	Very low	29.2	Very low	159 Å²	159	156.4 Å²	156.4	83%	0.832	82%	0.817	S	S	*	*			trans	-146.3	125.1	146	-97.1	157.3	0	0	0	109.9
13	L	26.3	Very low	29.4	Very low	158 Å²	158	156.3 Å²	156.3	83%	0.827	82%	0.817	S	S	*	*			trans	28	120.6	152.9	-63.7	160.1	0	0	0	119.6
14	R	25.8	Very low	29.3	Very low	246 Å²	246	156.5 Å²	156.5	93%	0.928	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.6	134.3	165.4	-70	-176.5	174.9	-160.2	-1.1	111
15	P	26.7	Very low	28.8	Very low	122 Å²	122	156.1 Å²	156.1	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-86.4	131.5	152.4	24.9	-13.6	0	0	0	109.6	S17	P15-S17 PolarHBondContact O-N 2.69Å
16	A	27	Very low	29.1	Very low	97 Å²	97	160.6 Å²	160.6	80%	0.802	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-72.6	122	165.2	0	0	0	0	0	108.3
17	S	27.4	Very low	29.7	Very low	110 Å²	110	160.9 Å²	160.9	77%	0.769	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-52.7	126.6	-179.3	48.5	0	0	0	0	113.4	P15 L19	P15-S17 PolarHBondContact O-N 2.69Å; S17-L19 PolarHBondContact O-N 3.33Å
18	W	27	Very low	30.5	Very low	247 Å²	247	162.3 Å²	162.3	94%	0.936	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.7	154.2	-79.6	73	0	0	0	108.9
19	L	26.5	Very low	31.3	Very low	155 Å²	155	158.4 Å²	158.4	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-61.1	132.9	166	-89.3	139.4	0	0	0	109.2	S17 F21	S17-L19 PolarHBondContact O-N 3.33Å; L19-F21 PolarHBondContact O-N 3.02Å
20	P	29.9	Very low	31.8	Very low	110 Å²	110	158.7 Å²	158.7	71%	0.714	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.2	119.6	166.9	28.5	-28.5	0	0	0	107.9	R22	P20-R22 PolarHBondContact O-N 2.75Å
21	F	27.6	Very low	32.7	Very low	209 Å²	209	158.9 Å²	158.9	92%	0.917	81%	0.808	S	S	*	*			trans	-53.2	105.6	163.8	-110.9	-97.2	0	0	0	107.7	L19 L23	L19-F21 PolarHBondContact O-N 3.02Å; F21-L23 PolarHBondContact O-N 3.22Å; F21-L23 VanDerWaalsContact O-N 3.16Å
22	R	28.7	Very low	33.4	Very low	234 Å²	234	150.2 Å²	150.2	88%	0.883	79%	0.785	S	S	*	*			trans	-64	113.7	165.9	-81.5	-175.1	179.4	-168	0	106.8	P20 C24	P20-R22 PolarHBondContact O-N 2.75Å; R22-C24 PolarHBondContact O-N 2.99Å; R22-C24 VanDerWaalsContact O-N 3.07Å
23	L	34.4	Very low	34.1	Very low	169 Å²	169	149 Å²	149	89%	0.885	78%	0.777	S	S	*	*			trans	-55.3	110.6	159.4	-79.2	158	0	0	0	107.5	F21 P25	F21-L23 PolarHBondContact O-N 3.22Å; F21-L23 VanDerWaalsContact O-N 3.16Å; L23-P25 WeakPolarHBondContact O-CD 3.41Å
24	C	28.1	Very low	35	Very low	109 Å²	109	148.2 Å²	148.2	74%	0.736	77%	0.769	S	S	*	*			trans	-68.9	124	170.6	-161.1	0	0	0	0	108.4	R22 E26	R22-C24 PolarHBondContact O-N 2.99Å; R22-C24 VanDerWaalsContact O-N 3.07Å; C24-E26 PolarHBondContact O-N 3.49Å
25	P	40.2	Very low	35.7	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	76%	0.756	S	S	*	*			trans	-90	76.2	175.8	35.2	-29	0	0	0	109.6	L23	L23-P25 WeakPolarHBondContact O-CD 3.41Å
26	E	33.6	Very low	36.5	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	75%	0.746	S	S	*	*			trans	-136.8	82	162.4	-78.4	-168.6	169.8	0	0	109.9	C24 T28	C24-E26 PolarHBondContact O-N 3.49Å; E26-T28 VanDerWaalsContact C-N 3.3Å; E26-T28 PolarHBondContact O-N 3.36Å; E26-T28 VanDerWaalsContact O-N 3.13Å
27	R	45.4	Very low	37.4	Very low	244 Å²	244	146.2 Å²	146.2	92%	0.921	75%	0.745	S	S	*	*			trans	-71.8	87.5	156.9	-82.9	-178.4	170.5	-162	-2.2	107.9
28	T	46.1	Very low	38.2	Very low	138 Å²	138	147.5 Å²	147.5	85%	0.847	74%	0.742	S	S	*	*	S	Bend	trans	164.2	72	151.1	42.8	0	0	0	0	110.8	E26	E26-T28 VanDerWaalsContact C-N 3.3Å; E26-T28 PolarHBondContact O-N 3.36Å; E26-T28 VanDerWaalsContact O-N 3.13Å
29	A	43.4	Very low	38.8	Very low	73 Å²	73	143.6 Å²	143.6	60%	0.603	73%	0.731	S	S	*	*	S	Bend	trans	-167.9	-8.9	164.1	0	0	0	0	0	115.7
30	V	38.2	Very low	39.5	Very low	112 Å²	112	143.1 Å²	143.1	68%	0.679	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	2.7	-176.1	-168.7	0	0	0	0	113
31	N	46	Very low	40.1	Very low	115 Å²	115	145.8 Å²	145.8	62%	0.615	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-5.6	-177	-110.4	-9.4	0	0	0	114.7	K35	N31-K35 WeakPolarHBondContact O-CB 3.38Å; N31-K35 WeakPolarHBondContact O-CD 3.46Å; N31-K35 WeakPolarHBondContact O-CG 3.48Å
32	S	44.9	Very low	41	Very low	66 Å²	66	143.4 Å²	143.4	46%	0.462	72%	0.717	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.6	-45.6	-179.4	56.4	0	0	0	0	113.1	Q34 K35 E36	S32-Q34 PolarHBondContact O-N 2.95Å; S32-K35 CarbonylContact O-C 3.57Å; S32-K35 PolarHBondContact O-N 3.22Å; S32-K35 VanDerWaalsContact O-N 3.1Å; S32-E36 PolarHBondContact O-N 3.24Å
33	M	43.1	Very low	41.8	Very low	135 Å²	135	140 Å²	140	67%	0.665	72%	0.715	S	S	*	*	H	α-helix	trans	-65.4	-36.8	-179.3	-85	-176	83.2	0	0	113.6	K35 E36 L37	M33-K35 VanDerWaalsContact C-N 3.33Å; M33-E36 PolarHBondContact O-N 3.44Å; M33-L37 PolarHBondContact O-N 3.09Å; M33-L37 VanDerWaalsContact O-N 3.11Å
34	Q	45.2	Very low	42.3	Very low	140 Å²	140	138.6 Å²	138.6	65%	0.654	71%	0.705	S	S	*	*	H	α-helix	trans	-70.8	-28.6	173	-87.5	-178.5	-25.4	0	0	112.8	S32	S32-Q34 PolarHBondContact O-N 2.95Å
35	K	40.8	Very low	43.4	Very low	148 Å²	148	139.1 Å²	139.1	64%	0.643	69%	0.694	S	S	*	*	H	α-helix	trans	-78.6	-23	174.7	-75.8	-174.7	-175.2	-177.5	0	113.2	N31 S32 M33 I38	N31-K35 WeakPolarHBondContact O-CB 3.38Å; N31-K35 WeakPolarHBondContact O-CD 3.46Å; N31-K35 WeakPolarHBondContact O-CG 3.48Å; S32-K35 CarbonylContact O-C 3.57Å; S32-K35 PolarHBondContact O-N 3.22Å; S32-K35 VanDerWaalsContact O-N 3.1Å; M33-K35 VanDerWaalsContact C-N 3.33Å; K35-I38 CarbonylContact O-C 3.58Å
36	E	43.4	Very low	43.8	Very low	128 Å²	128	141.7 Å²	141.7	60%	0.598	70%	0.701	S	S	*	*	H	α-helix	trans	-92.8	-30.9	-179.8	-79.4	-176	139.7	0	0	114.1	S32 M33 I38 K39	S32-E36 PolarHBondContact O-N 3.24Å; M33-E36 PolarHBondContact O-N 3.44Å; E36-I38 VanDerWaalsContact C-N 3.31Å; E36-K39 WeakPolarHBondContact O-CB 3.42Å; E36-K39 PolarHBondContact O-N 3.42Å
37	L	44.6	Very low	45.4	Very low	148 Å²	148	140.3 Å²	140.3	78%	0.775	70%	0.695	S	S	*	*	H	α-helix	trans	-75.3	-23.4	173.7	-84.3	151.2	0	0	0	112.4	M33 K39	M33-L37 PolarHBondContact O-N 3.09Å; M33-L37 VanDerWaalsContact O-N 3.11Å; L37-K39 VanDerWaalsContact C-N 3.29Å
38	I	44.1	Very low	47.3	Very low	136 Å²	136	136.8 Å²	136.8	70%	0.697	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	56.7	162.4	-48	175.3	0	0	0	107.4	K35 E36 K40	K35-I38 CarbonylContact O-C 3.58Å; E36-I38 VanDerWaalsContact C-N 3.31Å; I38-K40 PolarHBondContact O-N 3.3Å
39	K	39.7	Very low	49.5	Very low	165 Å²	165	140.9 Å²	140.9	72%	0.717	69%	0.693	S	S	*	*			trans	-63.8	95.4	164.2	-124.5	179.8	-176.9	176.8	0	106.9	E36 L37 H41	E36-K39 WeakPolarHBondContact O-CB 3.42Å; E36-K39 PolarHBondContact O-N 3.42Å; L37-K39 VanDerWaalsContact C-N 3.29Å; K39-H41 VanDerWaalsContact C-N 3.33Å; K39-H41 PolarHBondContact O-N 3.26Å
40	K	41.4	Very low	51.9	Low	145 Å²	145	140.8 Å²	140.8	63%	0.63	69%	0.687	S	S	*	*			trans	14.6	72.7	148.2	-79.6	-174.6	169.2	-137.1	0	113.8	I38 E44	I38-K40 PolarHBondContact O-N 3.3Å; K40-E44 WeakPolarHBondContact CE-OE1 3.42Å; K40-E44 WeakPolarHBondContact CE-OE2 3.32Å; K40-E44 VanDerWaalsContact NZ-CD 3.25Å; K40-E44 IonicContact NZ-OE1 3Å; K40-E44 PolarHBondContact NZ-OE1 2.95Å; K40-E44 IonicContact NZ-OE2 2.68Å; K40-E44 PolarHBondContact NZ-OE2 3.18Å
41	H	43.1	Very low	54.8	Low	166 Å²	166	137.4 Å²	137.4	77%	0.769	67%	0.665	S	S	*	*			trans	-99.8	91.1	151.3	-90.3	31.8	0	0	0	104.4	K39 L43	K39-H41 VanDerWaalsContact C-N 3.33Å; K39-H41 PolarHBondContact O-N 3.26Å; H41-L43 VanDerWaalsContact C-N 3.28Å; H41-L43 PolarHBondContact O-N 3.35Å
42	E	46.6	Very low	57.2	Low	159 Å²	159	135.5 Å²	135.5	74%	0.743	65%	0.649	S	S	*	*	S	Bend	trans	54.7	23	145.6	-57.6	-174.6	144.9	0	0	119.2	E44	E42-E44 PolarHBondContact O-N 2.98Å
43	L	44.7	Very low	59.7	Low	162 Å²	162	132.4 Å²	132.4	85%	0.848	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	1.7	163.9	-76.2	162.9	0	0	0	112.7	H41	H41-L43 VanDerWaalsContact C-N 3.28Å; H41-L43 PolarHBondContact O-N 3.35Å
44	E	45.1	Very low	62.3	Low	141 Å²	141	127.1 Å²	127.1	66%	0.659	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	5.8	177.9	-79	-177.5	170.9	0	0	113.7	K40 E42	K40-E44 WeakPolarHBondContact CE-OE1 3.42Å; K40-E44 WeakPolarHBondContact CE-OE2 3.32Å; K40-E44 VanDerWaalsContact NZ-CD 3.25Å; K40-E44 IonicContact NZ-OE1 3Å; K40-E44 PolarHBondContact NZ-OE1 2.95Å; K40-E44 IonicContact NZ-OE2 2.68Å; K40-E44 PolarHBondContact NZ-OE2 3.18Å; E42-E44 PolarHBondContact O-N 2.98Å
45	K	51	Low	64.8	Low	120 Å²	120	121 Å²	121	52%	0.522	57%	0.573	S	S	.	*	S	Bend	trans	-88	121.1	161.5	-75.3	-164.2	-177	176.3	0	108.2	E47	K45-E47 HydrophobicContact CB-CB 4.17Å; K45-E47 HydrophobicContact CB-CG 3.99Å; K45-E47 HydrophobicContact CD-CG 4.01Å; K45-E47 WeakPolarHBondContact CD-OE1 3.33Å; K45-E47 IonicContact NZ-OE1 2.83Å; K45-E47 PolarHBondContact NZ-OE1 3.26Å; K45-E47 IonicContact NZ-OE2 3.96Å; K45-E47 PolarHBondContact O-N 3.27Å
46	D	50	Low	67.5	Low	175 Å²	175	114.2 Å²	114.2	94%	0.936	54%	0.544	S	S	*	.			trans	-62.2	38.4	161.3	-109	-19.9	0	0	0	111.3	L48	D46-L48 PolarHBondContact O-N 2.85Å
47	E	66.7	Low	70	Confident	130 Å²	130	109.5 Å²	109.5	61%	0.607	53%	0.526	S	S	*	.			trans	-79.8	112	172.4	-82.3	177.2	-172.1	0	0	107.2	K45 R49	K45-E47 HydrophobicContact CB-CB 4.17Å; K45-E47 HydrophobicContact CB-CG 3.99Å; K45-E47 HydrophobicContact CD-CG 4.01Å; K45-E47 WeakPolarHBondContact CD-OE1 3.33Å; K45-E47 IonicContact NZ-OE1 2.83Å; K45-E47 PolarHBondContact NZ-OE1 3.26Å; K45-E47 IonicContact NZ-OE2 3.96Å; K45-E47 PolarHBondContact O-N 3.27Å; E47-R49 PolarHBondContact O-N 3.48Å
48	L	85.8	Confident	72.5	Confident	171 Å²	171	103.6 Å²	103.6	90%	0.895	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-53.1	136	171.8	-66	172.5	0	0	0	109.3	D46	D46-L48 PolarHBondContact O-N 2.85Å
49	R	91.7	Very high	75.1	Confident	223 Å²	223	97.2 Å²	97.2	84%	0.842	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-73.7	146	178	-65.7	-177	67.7	129.6	3.6	110.4	E47	E47-R49 PolarHBondContact O-N 3.48Å
50	P	94.8	Very high	77.9	Confident	72 Å²	72	92 Å²	92	47%	0.468	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-67.5	153.2	175.8	29.3	-35.5	0	0	0	111.4	D364	P50-D364 CarbonylContact C-O 3.55Å; P50-D364 WeakPolarHBondContact CA-O 3.4Å; P50-D364 WeakPolarHBondContact CB-O 3.47Å
51	L	97.6	Very high	80.6	Confident	40 Å²	40	88.3 Å²	88.3	21%	0.209	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	143.3	171.3	-54.4	-174.7	0	0	0	109.9	D364 V365 A366 E410 Y413	L51-D364 PolarHBondContact N-O 2.54Å; L51-V365 HydrophobicContact CB-CG1 4.39Å; L51-A366 PolarHBondContact O-N 2.96Å; L51-E410 HydrophobicContact CD1-CB 4.01Å; L51-E410 HydrophobicContact CD1-CG 3.97Å; L51-E410 HydrophobicContact CD2-CG 3.9Å; L51-E410 HydrophobicContact CG-CG 4.37Å; L51-Y413 HydrophobicContact CD1-CD1 3.5Å; L51-Y413 HydrophobicContact CD1-CE1 4.24Å; L51-Y413 HydrophobicContact CD1-CG 4.13Å; L51-Y413 HydrophobicContact CG-CD1 4.47Å
52	Y	97.6	Very high	83.2	Confident	76 Å²	76	80.5 Å²	80.5	30%	0.298	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	107.4	-179.4	-166.3	-107.2	0	0	0	111	D54 F55 T58 A366	Y52-D54 HydrophobicContact CE2-CB 4.01Å; Y52-D54 PolarHBondContact OH-O 3.33Å; Y52-F55 AromaticContact CD1-CD2 3.96Å; Y52-F55 HydrophobicContact CD1-CD2 3.96Å; Y52-F55 AromaticContact CD1-CE2 3.84Å; Y52-F55 HydrophobicContact CD1-CE2 3.84Å; Y52-F55 HydrophobicContact CD1-CG 4.48Å; Y52-F55 HydrophobicContact CD1-CZ 4.21Å; Y52-F55 HydrophobicContact CE1-CD2 4.25Å; Y52-F55 HydrophobicContact CE1-CG 4.39Å; Y52-F55 VanDerWaalsContact O-CE2 3.25Å; Y52-F55 WeakPolarHBondContact O-CE2 3.35Å; Y52-T58 VanDerWaalsContact CE1-O 3.29Å; Y52-T58 WeakPolarHBondContact CE1-O 3.47Å; Y52-T58 WeakPolarHBondContact OH-CG2 3.33Å; Y52-T58 PolarHBondContact OH-O 2.89Å; Y52-A366 HydrophobicContact CD2-CB 4.02Å
53	M	97.6	Very high	85.7	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.005	39%	0.389	C	S	.	.			trans	-122.4	37.2	178.4	-66.3	-71.7	-81.9	0	0	110.9	L321 V365 A366 L367 G401 I402 T406 V411 T414	M53-L321 HydrophobicContact CE-CD2 4.2Å; M53-V365 HydrophobicContact CB-CG1 3.87Å; M53-V365 HydrophobicContact CG-CG1 3.66Å; M53-A366 CarbonylContact C-O 3.57Å; M53-A366 VanDerWaalsContact C-O 3.28Å; M53-A366 WeakPolarHBondContact CA-O 3.26Å; M53-A366 PolarHBondContact N-O 2.93Å; M53-L367 HydrophobicContact CB-CD2 3.57Å; M53-L367 HydrophobicContact CB-CG 4.44Å; M53-G401 CarbonylContact C-O 3.59Å; M53-G401 VanDerWaalsContact CA-O 3.23Å; M53-G401 WeakPolarHBondContact CA-O 3.21Å; M53-G401 WeakPolarHBondContact O-CA 3.17Å; M53-G401 PolarHBondContact O-N 3.44Å; M53-I402 HydrophobicContact CE-CD1 4.38Å; M53-I402 HydrophobicContact CE-CG1 3.89Å; M53-T406 HydrophobicContact SD-CG2 3.84Å; M53-V411 HydrophobicContact CE-CG2 4.36Å; M53-T414 HydrophobicContact CE-CG2 4.31Å
54	D	97.1	Very high	88.3	Confident	24 Å²	24	74.7 Å²	74.7	13%	0.128	37%	0.369	C	S	.	.			trans	-128.7	38.9	-176.1	-169.3	31.5	0	0	0	113	Y52 Q56 A57 R399	Y52-D54 HydrophobicContact CE2-CB 4.01Å; Y52-D54 PolarHBondContact OH-O 3.33Å; D54-Q56 PolarHBondContact O-N 3.31Å; D54-Q56 VanDerWaalsContact O-N 3.09Å; D54-A57 WeakPolarHBondContact O-CB 3.45Å; D54-A57 PolarHBondContact O-N 2.9Å; D54-A57 WeakPolarHBondContact OD2-CB 3.37Å; D54-R399 IonicContact OD1-CZ 2.91Å; D54-R399 IonicContact OD1-NE 3.51Å; D54-R399 IonicContact OD1-NH2 3.3Å; D54-R399 PolarHBondContact OD1-NH2 2.92Å
55	F	97.8	Very high	90.8	Very high	11 Å²	11	68 Å²	68	5%	0.048	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.5	-174.9	-78	-101.8	0	0	0	114.5	Y52 A57 T58 T59 P60 Y252 G401 T406	Y52-F55 AromaticContact CD1-CD2 3.96Å; Y52-F55 HydrophobicContact CD1-CD2 3.96Å; Y52-F55 AromaticContact CD1-CE2 3.84Å; Y52-F55 HydrophobicContact CD1-CE2 3.84Å; Y52-F55 HydrophobicContact CD1-CG 4.48Å; Y52-F55 HydrophobicContact CD1-CZ 4.21Å; Y52-F55 HydrophobicContact CE1-CD2 4.25Å; Y52-F55 HydrophobicContact CE1-CG 4.39Å; Y52-F55 VanDerWaalsContact O-CE2 3.25Å; Y52-F55 WeakPolarHBondContact O-CE2 3.35Å; F55-A57 VanDerWaalsContact C-N 3.35Å; F55-T58 WeakPolarHBondContact CA-O 3.24Å; F55-T58 CarbonylContact O-C 3.59Å; F55-T59 HydrophobicContact CD1-CG2 3.97Å; F55-P60 HydrophobicContact CE1-CG 4.11Å; F55-Y252 HydrophobicContact CD1-CE1 4.01Å; F55-Y252 AromaticContact CE1-CE1 3.9Å; F55-Y252 HydrophobicContact CE1-CE1 3.9Å; F55-G401 WeakPolarHBondContact CD2-O 3.49Å; F55-T406 WeakPolarHBondContact CE2-OG1 3.32Å
56	Q	97.2	Very high	93.1	Very high	6 Å²	6	66 Å²	66	3%	0.028	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.8	175.5	-79.2	68.3	34.5	0	0	113.1	D54 Q227 K250 G344 C345	D54-Q56 PolarHBondContact O-N 3.31Å; D54-Q56 VanDerWaalsContact O-N 3.09Å; Q56-Q227 PolarHBondContact O-NE2 2.86Å; Q56-K250 WeakPolarHBondContact O-CE 3.19Å; Q56-K250 PolarHBondContact O-NZ 2.89Å; Q56-G344 PolarHBondContact NE2-O 2.71Å; Q56-G344 PolarHBondContact OE1-O 2.71Å; Q56-C345 HydrophobicContact CG-CB 4.04Å
57	A	95.3	Very high	95.4	Very high	28 Å²	28	63.2 Å²	63.2	23%	0.231	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-52.1	172.4	0	0	0	0	0	110.4	D54 F55 H249 K250	D54-A57 WeakPolarHBondContact O-CB 3.45Å; D54-A57 PolarHBondContact O-N 2.9Å; D54-A57 WeakPolarHBondContact OD2-CB 3.37Å; F55-A57 VanDerWaalsContact C-N 3.35Å; A57-H249 PolarHBondContact O-CE1 3.47Å; A57-H249 VanDerWaalsContact O-CE1 3.31Å; A57-K250 WeakPolarHBondContact O-CE 3.22Å
58	T	97.9	Very high	97	Very high	24 Å²	24	58.5 Å²	58.5	15%	0.147	30%	0.3	C	S	.	.			trans	-160.1	157	170.2	-171	0	0	0	0	110.2	Y52 F55 H249 K255	Y52-T58 VanDerWaalsContact CE1-O 3.29Å; Y52-T58 WeakPolarHBondContact CE1-O 3.47Å; Y52-T58 WeakPolarHBondContact OH-CG2 3.33Å; Y52-T58 PolarHBondContact OH-O 2.89Å; F55-T58 WeakPolarHBondContact CA-O 3.24Å; F55-T58 CarbonylContact O-C 3.59Å; T58-H249 WeakPolarHBondContact CB-ND1 3.46Å; T58-H249 PolarHBondContact OG1-ND1 3.38Å; T58-H249 PolarHBondContact OG1-O 2.91Å; T58-K255 WeakPolarHBondContact OG1-CE 3.41Å; T58-K255 PolarHBondContact OG1-NZ 3.18Å
59	T	98.4	Very high	97.6	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-100.3	154.8	171	61.4	0	0	0	0	111	F55 H249 Y252	F55-T59 HydrophobicContact CD1-CG2 3.97Å; T59-H249 PolarHBondContact N-O 3.38Å; T59-H249 PolarHBondContact OG1-O 3.45Å; T59-Y252 HydrophobicContact CG2-CD1 4.11Å; T59-Y252 HydrophobicContact CG2-CE1 3.92Å; T59-Y252 WeakPolarHBondContact OG1-CA 3.49Å; T59-Y252 PolarHBondContact OG1-N 2.68Å
60	P	98	Very high	97.9	Very high	54 Å²	54	43.8 Å²	43.8	35%	0.351	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-61.3	150.8	161.1	29.4	-35.6	0	0	0	109.8	F55 Y252 F405	F55-P60 HydrophobicContact CE1-CG 4.11Å; P60-Y252 HydrophobicContact CG-CD1 4.5Å; P60-Y252 WeakPolarHBondContact O-CA 3.35Å; P60-Y252 WeakPolarHBondContact O-CD1 3.3Å; P60-F405 HydrophobicContact CG-CD2 3.57Å; P60-F405 HydrophobicContact CG-CE2 3.94Å
61	M	98.5	Very high	98.1	Very high	68 Å²	68	42.8 Å²	42.8	34%	0.335	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-72.7	133.4	174.4	-172.5	-179.1	-60.4	0	0	109.3	V65 L66 M69 Y252 P254	M61-V65 HydrophobicContact CG-CB 4.06Å; M61-V65 HydrophobicContact CG-CG1 3.98Å; M61-V65 HydrophobicContact SD-CG1 4.24Å; M61-L66 HydrophobicContact CG-CB 4.49Å; M61-L66 HydrophobicContact SD-CB 3.74Å; M61-L66 HydrophobicContact SD-CD1 4.03Å; M61-L66 HydrophobicContact SD-CG 4.45Å; M61-M69 HydrophobicContact CE-SD 4.09Å; M61-M69 HydrophobicContact SD-SD 3.92Å; M61-Y252 WeakPolarHBondContact CA-O 3.49Å; M61-P254 HydrophobicContact CE-CB 3.68Å
62	D	98.8	Very high	98.1	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.5	133.3	173.5	-170.1	-63.2	0	0	0	109.3	R64 V65 L66 Y252 R404	D62-R64 PolarHBondContact O-N 3.33Å; D62-R64 VanDerWaalsContact O-N 3.11Å; D62-R64 VanDerWaalsContact OD1-CB 3.32Å; D62-R64 WeakPolarHBondContact OD1-CB 3.47Å; D62-R64 IonicContact OD1-CZ 3.3Å; D62-R64 PolarHBondContact OD1-N 3.42Å; D62-R64 IonicContact OD1-NE 2.81Å; D62-R64 PolarHBondContact OD1-NE 3.41Å; D62-R64 IonicContact OD1-NH2 3.6Å; D62-R64 IonicContact OD2-CZ 2.71Å; D62-R64 IonicContact OD2-NE 3.26Å; D62-R64 IonicContact OD2-NH2 3.36Å; D62-R64 PolarHBondContact OD2-NH2 2.9Å; D62-V65 HydrophobicContact CB-CB 4.3Å; D62-V65 HydrophobicContact CB-CG2 3.88Å; D62-V65 WeakPolarHBondContact O-CA 3.21Å; D62-V65 VanDerWaalsContact O-CB 3.3Å; D62-V65 WeakPolarHBondContact O-CB 3.34Å; D62-V65 PolarHBondContact O-N 3.46Å; D62-L66 PolarHBondContact O-N 3.46Å; D62-L66 VanDerWaalsContact O-N 3.11Å; D62-Y252 PolarHBondContact N-O 2.99Å; D62-R404 IonicContact OD2-CZ 2.72Å; D62-R404 IonicContact OD2-NH1 3.52Å; D62-R404 PolarHBondContact OD2-NH1 3.26Å
63	P	98.7	Very high	98	Very high	90 Å²	90	45.2 Å²	45.2	58%	0.584	24%	0.243	S	C	*	.	H	α-helix	trans	-54	-33.5	179.8	-28.4	35.8	0	0	0	113.9	V65 L66 D67	P63-V65 VanDerWaalsContact C-N 3.3Å; P63-V65 PolarHBondContact O-N 3Å; P63-L66 PolarHBondContact O-N 3.3Å; P63-D67 PolarHBondContact O-N 3.44Å
64	R	98.8	Very high	98	Very high	109 Å²	109	49.7 Å²	49.7	41%	0.411	27%	0.27	S	S	.	.	H	α-helix	trans	-70	-29.3	177.2	-62.1	168	-69.4	-175.7	-3.6	112.4	D62 A68 I302 E306	D62-R64 PolarHBondContact O-N 3.33Å; D62-R64 VanDerWaalsContact O-N 3.11Å; D62-R64 VanDerWaalsContact OD1-CB 3.32Å; D62-R64 WeakPolarHBondContact OD1-CB 3.47Å; D62-R64 IonicContact OD1-CZ 3.3Å; D62-R64 PolarHBondContact OD1-N 3.42Å; D62-R64 IonicContact OD1-NE 2.81Å; D62-R64 PolarHBondContact OD1-NE 3.41Å; D62-R64 IonicContact OD1-NH2 3.6Å; D62-R64 IonicContact OD2-CZ 2.71Å; D62-R64 IonicContact OD2-NE 3.26Å; D62-R64 IonicContact OD2-NH2 3.36Å; D62-R64 PolarHBondContact OD2-NH2 2.9Å; R64-A68 PolarHBondContact O-N 2.67Å; R64-I302 HydrophobicContact CB-CD1 3.68Å; R64-E306 IonicContact CZ-OE1 3.72Å; R64-E306 VanDerWaalsContact CZ-OE1 3.24Å; R64-E306 IonicContact CZ-OE2 3.94Å; R64-E306 IonicContact NH1-OE1 3.56Å; R64-E306 PolarHBondContact NH1-OE1 3.19Å; R64-E306 IonicContact NH1-OE2 2.73Å; R64-E306 IonicContact NH2-OE1 3.58Å; R64-E306 PolarHBondContact NH2-OE1 2.89Å; R64-E306 IonicContact NH2-OE2 3.38Å; R64-E306 PolarHBondContact NH2-OE2 3.24Å
65	V	98.8	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69.8	-46.3	172.6	173.3	0	0	0	0	109.8	M61 D62 P63 D67 A68 M69 G295 A298 A299 I302	M61-V65 HydrophobicContact CG-CB 4.06Å; M61-V65 HydrophobicContact CG-CG1 3.98Å; M61-V65 HydrophobicContact SD-CG1 4.24Å; D62-V65 HydrophobicContact CB-CB 4.3Å; D62-V65 HydrophobicContact CB-CG2 3.88Å; D62-V65 WeakPolarHBondContact O-CA 3.21Å; D62-V65 VanDerWaalsContact O-CB 3.3Å; D62-V65 WeakPolarHBondContact O-CB 3.34Å; D62-V65 PolarHBondContact O-N 3.46Å; P63-V65 VanDerWaalsContact C-N 3.3Å; P63-V65 PolarHBondContact O-N 3Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.13Å; V65-A68 PolarHBondContact O-N 2.69Å; V65-M69 HydrophobicContact CG1-CG 4.46Å; V65-M69 HydrophobicContact CG1-SD 3.98Å; V65-M69 VanDerWaalsContact O-CG 3.26Å; V65-M69 WeakPolarHBondContact O-CG 3.31Å; V65-M69 PolarHBondContact O-N 2.71Å; V65-M69 VanDerWaalsContact O-N 3.1Å; V65-G295 WeakPolarHBondContact CG1-O 3.33Å; V65-A298 HydrophobicContact CG2-CB 4.22Å; V65-A299 HydrophobicContact CG2-CB 3.86Å; V65-I302 HydrophobicContact CG2-CD1 3.73Å
66	L	98.6	Very high	98	Very high	79 Å²	79	58.2 Å²	58.2	41%	0.414	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-47.8	177	178.8	60.1	0	0	0	111.3	M61 D62 P63 A68 M69 L70	M61-L66 HydrophobicContact CG-CB 4.49Å; M61-L66 HydrophobicContact SD-CB 3.74Å; M61-L66 HydrophobicContact SD-CD1 4.03Å; M61-L66 HydrophobicContact SD-CG 4.45Å; D62-L66 PolarHBondContact O-N 3.46Å; D62-L66 VanDerWaalsContact O-N 3.11Å; P63-L66 PolarHBondContact O-N 3.3Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 2.92Å; L66-M69 WeakPolarHBondContact O-CB 3.45Å; L66-M69 PolarHBondContact O-N 3.48Å; L66-L70 HydrophobicContact CD1-CD2 4.38Å; L66-L70 HydrophobicContact CD1-CG 4.28Å; L66-L70 HydrophobicContact CG-CD1 4.32Å; L66-L70 HydrophobicContact CG-CG 4.4Å; L66-L70 WeakPolarHBondContact O-CG 3.1Å; L66-L70 PolarHBondContact O-N 2.93Å; L66-L70 VanDerWaalsContact O-N 3.08Å
67	D	98.6	Very high	98	Very high	115 Å²	115	65 Å²	65	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-56.2	-44.3	177.6	-172.3	64.1	0	0	0	112	P63 V65 M69 L70 P71	P63-D67 PolarHBondContact O-N 3.44Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.13Å; D67-M69 VanDerWaalsContact C-N 3.27Å; D67-M69 PolarHBondContact O-N 3.37Å; D67-L70 PolarHBondContact O-N 3.33Å; D67-P71 WeakPolarHBondContact O-CD 3.49Å
68	A	98.7	Very high	98.1	Very high	32 Å²	32	64.2 Å²	64.2	26%	0.264	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-30.2	175.9	0	0	0	0	0	113.4	R64 V65 L66 Y72 V294 A298	R64-A68 PolarHBondContact O-N 2.67Å; V65-A68 PolarHBondContact O-N 2.69Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 2.92Å; A68-Y72 WeakPolarHBondContact O-CD2 3.42Å; A68-Y72 WeakPolarHBondContact O-CE2 3.33Å; A68-V294 HydrophobicContact CB-CG1 4.21Å; A68-V294 WeakPolarHBondContact O-CG1 3.32Å; A68-A298 HydrophobicContact CB-CB 3.92Å
69	M	98.7	Very high	98.1	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.03	34%	0.338	C	S	.	.	H	α-helix	trans	-80.6	-34.4	-178.4	-67.6	176.3	58.5	0	0	113.5	M61 V65 L66 D67 Y72 P254 P291 L292	M61-M69 HydrophobicContact CE-SD 4.09Å; M61-M69 HydrophobicContact SD-SD 3.92Å; V65-M69 HydrophobicContact CG1-CG 4.46Å; V65-M69 HydrophobicContact CG1-SD 3.98Å; V65-M69 VanDerWaalsContact O-CG 3.26Å; V65-M69 WeakPolarHBondContact O-CG 3.31Å; V65-M69 PolarHBondContact O-N 2.71Å; V65-M69 VanDerWaalsContact O-N 3.1Å; L66-M69 WeakPolarHBondContact O-CB 3.45Å; L66-M69 PolarHBondContact O-N 3.48Å; D67-M69 VanDerWaalsContact C-N 3.27Å; D67-M69 PolarHBondContact O-N 3.37Å; M69-Y72 PolarHBondContact O-N 3.04Å; M69-P254 HydrophobicContact CE-CB 3.92Å; M69-P254 HydrophobicContact CE-CG 3.96Å; M69-P254 HydrophobicContact SD-CB 4.04Å; M69-P254 HydrophobicContact SD-CG 3.77Å; M69-P291 WeakPolarHBondContact CG-O 3.44Å; M69-L292 HydrophobicContact CE-CD2 3.86Å
70	L	98.5	Very high	98.1	Very high	79 Å²	79	65.9 Å²	65.9	41%	0.414	34%	0.338	S	S	.	.	H	α-helix	trans	-56.3	-42.9	-170.5	-76.8	170.5	0	0	0	114.4	L66 D67 Y72 Q73 V74	L66-L70 HydrophobicContact CD1-CD2 4.38Å; L66-L70 HydrophobicContact CD1-CG 4.28Å; L66-L70 HydrophobicContact CG-CD1 4.32Å; L66-L70 HydrophobicContact CG-CG 4.4Å; L66-L70 WeakPolarHBondContact O-CG 3.1Å; L66-L70 PolarHBondContact O-N 2.93Å; L66-L70 VanDerWaalsContact O-N 3.08Å; D67-L70 PolarHBondContact O-N 3.33Å; L70-Y72 PolarHBondContact O-N 3.37Å; L70-Q73 PolarHBondContact O-N 3.2Å; L70-V74 PolarHBondContact O-N 3.18Å
71	P	98.5	Very high	98	Very high	50 Å²	50	66.2 Å²	66.2	33%	0.325	34%	0.335	S	S	.	.	H	α-helix	trans	-56.8	-35.2	179.2	-28.1	36.1	0	0	0	113.9	D67 Q73 V74 N75 Y76	D67-P71 WeakPolarHBondContact O-CD 3.49Å; P71-Q73 VanDerWaalsContact C-N 3.31Å; P71-Q73 PolarHBondContact O-N 2.85Å; P71-V74 PolarHBondContact O-N 3.16Å; P71-N75 PolarHBondContact O-N 2.94Å; P71-Y76 HydrophobicContact CB-CD2 3.68Å; P71-Y76 HydrophobicContact CB-CE2 3.89Å; P71-Y76 PolarHBondContact O-N 3.18Å
72	Y	98.4	Very high	98	Very high	53 Å²	53	64.6 Å²	64.6	21%	0.208	33%	0.33	C	S	.	.	H	α-helix	trans	-80	-11.6	-178.3	-57.6	-80.5	0	0	0	113.8	A68 M69 L70 Y76 A94 T290 V294	A68-Y72 WeakPolarHBondContact O-CD2 3.42Å; A68-Y72 WeakPolarHBondContact O-CE2 3.33Å; M69-Y72 PolarHBondContact O-N 3.04Å; L70-Y72 PolarHBondContact O-N 3.37Å; Y72-Y76 HydrophobicContact CD1-CD2 4.28Å; Y72-Y76 HydrophobicContact CD1-CG 4.38Å; Y72-Y76 HydrophobicContact CE1-CD2 4.07Å; Y72-Y76 HydrophobicContact CE1-CG 4.37Å; Y72-A94 HydrophobicContact CD1-CB 4.1Å; Y72-A94 HydrophobicContact CE1-CB 3.23Å; Y72-A94 HydrophobicContact CE2-CB 4.48Å; Y72-A94 VanDerWaalsContact CZ-CB 3.45Å; Y72-A94 WeakPolarHBondContact OH-CB 3.39Å; Y72-T290 HydrophobicContact CD1-CG2 4.01Å; Y72-T290 HydrophobicContact CG-CG2 4.47Å; Y72-V294 HydrophobicContact CD2-CB 4.24Å; Y72-V294 HydrophobicContact CD2-CG1 3.97Å; Y72-V294 HydrophobicContact CD2-CG2 3.95Å; Y72-V294 HydrophobicContact CE2-CB 4.29Å; Y72-V294 HydrophobicContact CE2-CG1 3.76Å; Y72-V294 HydrophobicContact CE2-CG2 3.81Å; Y72-V294 HydrophobicContact CG-CG2 4.35Å
73	Q	95.6	Very high	97.8	Very high	114 Å²	114	74.2 Å²	74.2	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-89.5	-20.6	170.9	-65.2	-169.5	47.7	0	0	112.7	L70 P71 P291	L70-Q73 PolarHBondContact O-N 3.2Å; P71-Q73 VanDerWaalsContact C-N 3.31Å; P71-Q73 PolarHBondContact O-N 2.85Å; Q73-P291 HydrophobicContact CG-CB 3.99Å; Q73-P291 HydrophobicContact CG-CG 4.12Å
74	V	97.4	Very high	97.8	Very high	95 Å²	95	75.8 Å²	75.8	58%	0.576	37%	0.374	S	S	*	.	H	α-helix	trans	-111.2	-58.1	-171.5	-175.7	0	0	0	0	112.4	L70 P71 Y77	L70-V74 PolarHBondContact O-N 3.18Å; P71-V74 PolarHBondContact O-N 3.16Å; V74-Y77 WeakPolarHBondContact O-CD1 3.46Å
75	N	97.2	Very high	97.7	Very high	107 Å²	107	74 Å²	74	57%	0.572	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-34.6	-170.6	-64.8	-49	0	0	0	112.9	P71 Y77	P71-N75 PolarHBondContact O-N 2.94Å; N75-Y77 WeakPolarHBondContact O-CD1 3.33Å; N75-Y77 PolarHBondContact O-N 2.91Å
76	Y	97.4	Very high	97.7	Very high	108 Å²	108	76.1 Å²	76.1	42%	0.424	39%	0.388	S	S	.	.			trans	-99.9	50.6	-179.7	-51.7	-47.2	0	0	0	111.9	P71 Y72 G78 E90	P71-Y76 HydrophobicContact CB-CD2 3.68Å; P71-Y76 HydrophobicContact CB-CE2 3.89Å; P71-Y76 PolarHBondContact O-N 3.18Å; Y72-Y76 HydrophobicContact CD1-CD2 4.28Å; Y72-Y76 HydrophobicContact CD1-CG 4.38Å; Y72-Y76 HydrophobicContact CE1-CD2 4.07Å; Y72-Y76 HydrophobicContact CE1-CG 4.37Å; Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 2.98Å; Y76-E90 WeakPolarHBondContact CD1-OE2 3.39Å
77	Y	96.8	Very high	97.7	Very high	149 Å²	149	77.6 Å²	77.6	58%	0.584	39%	0.389	S	S	*	.			trans	-84.7	6.3	-171.9	57.4	-99.4	0	0	0	114.7	V74 N75 Y87	V74-Y77 WeakPolarHBondContact O-CD1 3.46Å; N75-Y77 WeakPolarHBondContact O-CD1 3.33Å; N75-Y77 PolarHBondContact O-N 2.91Å; Y77-Y87 HydrophobicContact CE1-CE1 4.13Å; Y77-Y87 HydrophobicContact CE2-CD1 4.38Å; Y77-Y87 HydrophobicContact CE2-CE1 4.46Å; Y77-Y87 AromaticContact CZ-CE1 3.85Å
78	G	98	Very high	97.7	Very high	10 Å²	10	72.1 Å²	72.1	10%	0.103	36%	0.359	C	S	.	.			trans	-62.6	151.8	-175.1	0	0	0	0	0	113.5	Y76 Y87 S91	Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 2.98Å; G78-Y87 WeakPolarHBondContact CA-O 3.2Å; G78-S91 WeakPolarHBondContact O-CB 3.26Å; G78-S91 PolarHBondContact O-OG 2.8Å
79	N	98.2	Very high	97.7	Very high	59 Å²	59	76.9 Å²	76.9	32%	0.316	37%	0.371	S	S	.	.			trans	-73.2	124.2	171.1	-175.3	-26.8	0	0	0	109.1	H81 S82 G88	N79-H81 PolarHBondContact O-N 3.17Å; N79-H81 WeakPolarHBondContact OD1-CB 3.44Å; N79-H81 PolarHBondContact OD1-CD2 2.96Å; N79-H81 VanDerWaalsContact OD1-CD2 3.22Å; N79-H81 PolarHBondContact OD1-N 3.06Å; N79-S82 WeakPolarHBondContact O-CB 3.37Å; N79-S82 PolarHBondContact O-N 3.26Å; N79-G88 WeakPolarHBondContact O-CA 3.4Å
80	P	97.7	Very high	97.6	Very high	4 Å²	4	80.5 Å²	80.5	3%	0.026	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.7	-178.5	28.5	-36	0	0	0	113.1	S91 E92 M95 V288 T290	P80-S91 WeakPolarHBondContact CD-OG 3.24Å; P80-E92 HydrophobicContact CB-CB 4.46Å; P80-M95 HydrophobicContact CB-CE 4.2Å; P80-M95 HydrophobicContact CB-SD 4.05Å; P80-M95 HydrophobicContact CG-SD 4.19Å; P80-V288 HydrophobicContact CG-CB 4.25Å; P80-T290 WeakPolarHBondContact CD-OG1 3.44Å; P80-T290 WeakPolarHBondContact CG-OG1 3.46Å
81	H	97.1	Very high	97.6	Very high	60 Å²	60	76.7 Å²	76.7	28%	0.278	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5	177	-53.8	-58.6	0	0	0	113.4	N79 R83 Q279 V288	N79-H81 PolarHBondContact O-N 3.17Å; N79-H81 WeakPolarHBondContact OD1-CB 3.44Å; N79-H81 PolarHBondContact OD1-CD2 2.96Å; N79-H81 VanDerWaalsContact OD1-CD2 3.22Å; N79-H81 PolarHBondContact OD1-N 3.06Å; H81-R83 PolarHBondContact O-N 3.26Å; H81-Q279 WeakPolarHBondContact CE1-CG 3.18Å; H81-Q279 WeakPolarHBondContact NE2-CG 3.26Å; H81-V288 PolarHBondContact NE2-N 3.35Å
82	S	96.8	Very high	97.6	Very high	35 Å²	35	78 Å²	78	25%	0.245	37%	0.37	C	S	.	.			trans	-78.2	105.4	176.2	-72.2	0	0	0	0	111.4	N79 H85 G88	N79-S82 WeakPolarHBondContact O-CB 3.37Å; N79-S82 PolarHBondContact O-N 3.26Å; S82-H85 VanDerWaalsContact CB-CE1 3.46Å; S82-H85 WeakPolarHBondContact CB-CE1 3.33Å; S82-H85 VanDerWaalsContact CB-NE2 3.29Å; S82-H85 WeakPolarHBondContact CB-NE2 3.48Å; S82-H85 PolarHBondContact OG-NE2 2.91Å; S82-G88 WeakPolarHBondContact O-CA 3.46Å
83	R	96.3	Very high	97.7	Very high	205 Å²	205	79.8 Å²	79.8	77%	0.774	39%	0.386	S	S	*	.			trans	-86.9	-6.2	-172.5	-64.9	-174.8	177.7	164.5	1.4	116	H81 W89	H81-R83 PolarHBondContact O-N 3.26Å; R83-W89 PolarHBondContact O-NE1 3.25Å
84	T	97.4	Very high	97.8	Very high	122 Å²	122	74.6 Å²	74.6	75%	0.748	36%	0.362	S	S	*	.	S	Bend	trans	-106.2	-5.3	-166.3	52.6	0	0	0	0	114.9
85	H	98.1	Very high	97.9	Very high	73 Å²	73	70.4 Å²	70.4	34%	0.338	34%	0.337	S	S	.	.	S	Bend	trans	-148.2	158.1	-173.9	62.2	65.4	0	0	0	113.3	S82 Y87 G88 W89	S82-H85 VanDerWaalsContact CB-CE1 3.46Å; S82-H85 WeakPolarHBondContact CB-CE1 3.33Å; S82-H85 VanDerWaalsContact CB-NE2 3.29Å; S82-H85 WeakPolarHBondContact CB-NE2 3.48Å; S82-H85 PolarHBondContact OG-NE2 2.91Å; H85-Y87 PolarHBondContact O-N 2.74Å; H85-G88 PolarHBondContact CE1-N 3.03Å; H85-G88 PolarHBondContact ND1-N 3.46Å; H85-G88 PolarHBondContact O-N 2.64Å; H85-W89 PolarHBondContact O-N 3.36Å
86	A	98	Very high	97.9	Very high	44 Å²	44	68.7 Å²	68.7	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-52.1	-45.9	-174.8	0	0	0	0	0	114.3	G88 W89 E90	A86-G88 PolarHBondContact O-N 3Å; A86-G88 VanDerWaalsContact O-N 3.09Å; A86-W89 HydrophobicContact CB-CE3 4.38Å; A86-W89 PolarHBondContact O-N 3.47Å; A86-W89 VanDerWaalsContact O-N 3.08Å; A86-E90 WeakPolarHBondContact O-CG 3.36Å; A86-E90 PolarHBondContact O-N 3.23Å
87	Y	98.3	Very high	98	Very high	109 Å²	109	67.1 Å²	67.1	43%	0.427	33%	0.327	S	S	.	.	H	α-helix	trans	-55.9	-32.2	179.2	-65	-88.4	0	0	0	113.7	Y77 G78 H85 S91	Y77-Y87 HydrophobicContact CE1-CE1 4.13Å; Y77-Y87 HydrophobicContact CE2-CD1 4.38Å; Y77-Y87 HydrophobicContact CE2-CE1 4.46Å; Y77-Y87 AromaticContact CZ-CE1 3.85Å; G78-Y87 WeakPolarHBondContact CA-O 3.2Å; H85-Y87 PolarHBondContact O-N 2.74Å; Y87-S91 WeakPolarHBondContact O-CB 3.12Å; Y87-S91 PolarHBondContact O-N 2.69Å
88	G	98.3	Very high	98.1	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-77.7	-43.1	177.8	0	0	0	0	0	111.9	N79 S82 H85 A86 E90 S91 E92	N79-G88 WeakPolarHBondContact O-CA 3.4Å; S82-G88 WeakPolarHBondContact O-CA 3.46Å; H85-G88 PolarHBondContact CE1-N 3.03Å; H85-G88 PolarHBondContact ND1-N 3.46Å; H85-G88 PolarHBondContact O-N 2.64Å; A86-G88 PolarHBondContact O-N 3Å; A86-G88 VanDerWaalsContact O-N 3.09Å; G88-E90 PolarHBondContact O-N 2.67Å; G88-S91 PolarHBondContact O-N 3.32Å; G88-E92 WeakPolarHBondContact O-CB 3.48Å; G88-E92 PolarHBondContact O-N 3.37Å
89	W	98.4	Very high	98.2	Very high	133 Å²	133	59.7 Å²	59.7	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-39.6	177	-52.9	-30.6	0	0	0	112.8	R83 H85 A86 T93	R83-W89 PolarHBondContact O-NE1 3.25Å; H85-W89 PolarHBondContact O-N 3.36Å; A86-W89 HydrophobicContact CB-CE3 4.38Å; A86-W89 PolarHBondContact O-N 3.47Å; A86-W89 VanDerWaalsContact O-N 3.08Å; W89-T93 WeakPolarHBondContact O-CB 3.48Å; W89-T93 PolarHBondContact O-N 3.01Å; W89-T93 PolarHBondContact O-OG1 2.95Å
90	E	98.3	Very high	98.2	Very high	81 Å²	81	62.1 Å²	62.1	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-44.3	175.4	-70.8	167.5	-170.4	0	0	111.3	Y76 A86 G88 T93 A94	Y76-E90 WeakPolarHBondContact CD1-OE2 3.39Å; A86-E90 WeakPolarHBondContact O-CG 3.36Å; A86-E90 PolarHBondContact O-N 3.23Å; G88-E90 PolarHBondContact O-N 2.67Å; E90-T93 PolarHBondContact O-N 3.33Å; E90-A94 PolarHBondContact O-N 2.79Å; E90-A94 VanDerWaalsContact O-N 3.09Å
91	S	98.4	Very high	98.2	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-40.8	178.1	-170.5	0	0	0	0	112.3	G78 P80 Y87 G88 A94 M95 T290	G78-S91 WeakPolarHBondContact O-CB 3.26Å; G78-S91 PolarHBondContact O-OG 2.8Å; P80-S91 WeakPolarHBondContact CD-OG 3.24Å; Y87-S91 WeakPolarHBondContact O-CB 3.12Å; Y87-S91 PolarHBondContact O-N 2.69Å; G88-S91 PolarHBondContact O-N 3.32Å; S91-A94 PolarHBondContact O-N 3.38Å; S91-M95 WeakPolarHBondContact O-CB 3.39Å; S91-M95 PolarHBondContact O-N 3.29Å; S91-T290 WeakPolarHBondContact OG-CB 3.28Å; S91-T290 WeakPolarHBondContact OG-CG2 3.33Å; S91-T290 PolarHBondContact OG-OG1 3.34Å
92	E	98.6	Very high	98.3	Very high	78 Å²	78	61.5 Å²	61.5	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-45.5	173.9	-177.1	177.4	-151.5	0	0	111.3	P80 G88 A94 M95 E96	P80-E92 HydrophobicContact CB-CB 4.46Å; G88-E92 WeakPolarHBondContact O-CB 3.48Å; G88-E92 PolarHBondContact O-N 3.37Å; E92-A94 VanDerWaalsContact C-N 3.3Å; E92-A94 PolarHBondContact O-N 2.67Å; E92-M95 HydrophobicContact CG-CE 4.28Å; E92-M95 WeakPolarHBondContact O-CB 3.46Å; E92-M95 PolarHBondContact O-N 2.72Å; E92-E96 PolarHBondContact O-N 2.94Å
93	T	98.7	Very high	98.4	Very high	89 Å²	89	59.9 Å²	59.9	55%	0.546	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-42.2	177.9	-59.8	0	0	0	0	111.4	W89 E90 T97	W89-T93 WeakPolarHBondContact O-CB 3.48Å; W89-T93 PolarHBondContact O-N 3.01Å; W89-T93 PolarHBondContact O-OG1 2.95Å; E90-T93 PolarHBondContact O-N 3.33Å; T93-T97 WeakPolarHBondContact O-CB 3.46Å; T93-T97 PolarHBondContact O-N 2.74Å; T93-T97 PolarHBondContact O-OG1 3.35Å
94	A	98.7	Very high	98.5	Very high	5 Å²	5	53 Å²	53	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-44	176.7	0	0	0	0	0	112.3	Y72 E90 S91 E92 T97 A98 T290 V294	Y72-A94 HydrophobicContact CD1-CB 4.1Å; Y72-A94 HydrophobicContact CE1-CB 3.23Å; Y72-A94 HydrophobicContact CE2-CB 4.48Å; Y72-A94 VanDerWaalsContact CZ-CB 3.45Å; Y72-A94 WeakPolarHBondContact OH-CB 3.39Å; E90-A94 PolarHBondContact O-N 2.79Å; E90-A94 VanDerWaalsContact O-N 3.09Å; S91-A94 PolarHBondContact O-N 3.38Å; E92-A94 VanDerWaalsContact C-N 3.3Å; E92-A94 PolarHBondContact O-N 2.67Å; A94-T97 PolarHBondContact O-N 3.33Å; A94-A98 PolarHBondContact O-N 2.86Å; A94-T290 HydrophobicContact CB-CG2 4.1Å; A94-V294 HydrophobicContact CB-CG2 3.86Å
95	M	98.7	Very high	98.6	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-46.4	175.2	177.3	-172.9	67.4	0	0	111.7	P80 S91 E92 A98 R99 F115 V288	P80-M95 HydrophobicContact CB-CE 4.2Å; P80-M95 HydrophobicContact CB-SD 4.05Å; P80-M95 HydrophobicContact CG-SD 4.19Å; S91-M95 WeakPolarHBondContact O-CB 3.39Å; S91-M95 PolarHBondContact O-N 3.29Å; E92-M95 HydrophobicContact CG-CE 4.28Å; E92-M95 WeakPolarHBondContact O-CB 3.46Å; E92-M95 PolarHBondContact O-N 2.72Å; M95-A98 PolarHBondContact O-N 3.08Å; M95-R99 WeakPolarHBondContact O-CB 3.36Å; M95-R99 PolarHBondContact O-N 3.06Å; M95-F115 HydrophobicContact CG-CD2 4.28Å; M95-F115 HydrophobicContact CG-CE2 3.84Å; M95-V288 HydrophobicContact CG-CG1 3.96Å; M95-V288 HydrophobicContact SD-CB 3.66Å; M95-V288 HydrophobicContact SD-CG1 3.63Å; M95-V288 HydrophobicContact SD-CG2 3.81Å
96	E	98.8	Very high	98.6	Very high	71 Å²	71	44.3 Å²	44.3	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-71.5	-32.1	179.8	-70.1	-57.2	123.8	0	0	112.6	E92 R99 K100	E92-E96 PolarHBondContact O-N 2.94Å; E96-R99 WeakPolarHBondContact O-CB 3.29Å; E96-R99 PolarHBondContact O-N 2.78Å; E96-R99 IonicContact OE1-CZ 3.29Å; E96-R99 IonicContact OE1-NE 2.94Å; E96-R99 PolarHBondContact OE1-NE 3.23Å; E96-R99 IonicContact OE1-NH2 2.79Å; E96-R99 PolarHBondContact OE1-NH2 2.89Å; E96-R99 IonicContact OE2-NE 3.25Å; E96-R99 PolarHBondContact OE2-NE 2.95Å; E96-K100 PolarHBondContact O-N 2.88Å
97	T	98.9	Very high	98.6	Very high	74 Å²	74	44.7 Å²	44.7	45%	0.454	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-47	170.8	-60.8	0	0	0	0	110.8	T93 A94 R99 K100 Q101	T93-T97 WeakPolarHBondContact O-CB 3.46Å; T93-T97 PolarHBondContact O-N 2.74Å; T93-T97 PolarHBondContact O-OG1 3.35Å; A94-T97 PolarHBondContact O-N 3.33Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 3.43Å; T97-K100 WeakPolarHBondContact O-CB 3.21Å; T97-K100 PolarHBondContact O-N 2.91Å; T97-Q101 WeakPolarHBondContact O-CG 3.25Å; T97-Q101 PolarHBondContact O-N 2.88Å
98	A	98.9	Very high	98.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-40.9	175.9	0	0	0	0	0	112	A94 M95 K100 Q101 V102 F115 A293	A94-A98 PolarHBondContact O-N 2.86Å; M95-A98 PolarHBondContact O-N 3.08Å; A98-K100 VanDerWaalsContact C-N 3.3Å; A98-K100 PolarHBondContact O-N 2.85Å; A98-Q101 PolarHBondContact O-N 3.33Å; A98-Q101 VanDerWaalsContact O-N 3.16Å; A98-V102 WeakPolarHBondContact O-CG2 3.35Å; A98-V102 PolarHBondContact O-N 3.04Å; A98-F115 HydrophobicContact CB-CZ 4.18Å; A98-A293 WeakPolarHBondContact CB-O 3.44Å
99	R	98.9	Very high	98.7	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.011	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-42.4	176.1	-164.5	-173.7	-56.5	-79.4	-0.2	111.7	M95 E96 T97 V102 A103 P110 I113 F115 E280	M95-R99 WeakPolarHBondContact O-CB 3.36Å; M95-R99 PolarHBondContact O-N 3.06Å; E96-R99 WeakPolarHBondContact O-CB 3.29Å; E96-R99 PolarHBondContact O-N 2.78Å; E96-R99 IonicContact OE1-CZ 3.29Å; E96-R99 IonicContact OE1-NE 2.94Å; E96-R99 PolarHBondContact OE1-NE 3.23Å; E96-R99 IonicContact OE1-NH2 2.79Å; E96-R99 PolarHBondContact OE1-NH2 2.89Å; E96-R99 IonicContact OE2-NE 3.25Å; E96-R99 PolarHBondContact OE2-NE 2.95Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 3.43Å; R99-V102 PolarHBondContact O-N 3.05Å; R99-A103 WeakPolarHBondContact O-CB 3.28Å; R99-A103 PolarHBondContact O-N 2.9Å; R99-P110 WeakPolarHBondContact CD-O 3.37Å; R99-P110 HydrophobicContact CG-CB 4.34Å; R99-P110 WeakPolarHBondContact CG-O 3.34Å; R99-I113 HydrophobicContact CG-CB 3.7Å; R99-I113 HydrophobicContact CG-CG1 4.45Å; R99-I113 HydrophobicContact CG-CG2 3.97Å; R99-I113 PolarHBondContact NH1-O 2.69Å; R99-F115 HydrophobicContact CB-CE2 3.99Å; R99-F115 HydrophobicContact CB-CZ 4.05Å; R99-F115 HydrophobicContact CG-CE2 4.33Å; R99-E280 IonicContact CZ-OE1 2.67Å; R99-E280 IonicContact CZ-OE2 3.38Å; R99-E280 IonicContact NH1-OE1 3.92Å; R99-E280 IonicContact NH1-OE2 2.72Å; R99-E280 PolarHBondContact NH1-OE2 3.26Å; R99-E280 IonicContact NH2-OE1 3.95Å; R99-E280 PolarHBondContact NH2-OE1 3.25Å; R99-E280 IonicContact NH2-OE2 2.92Å
100	K	98.9	Very high	98.7	Very high	110 Å²	110	37.9 Å²	37.9	48%	0.478	21%	0.211	S	C	.	.	H	α-helix	trans	-62.8	-44.3	174.6	-177	-179.2	179.9	-65.7	0	111.7	E96 T97 A98 V102 A103 D104 P110	E96-K100 PolarHBondContact O-N 2.88Å; T97-K100 WeakPolarHBondContact O-CB 3.21Å; T97-K100 PolarHBondContact O-N 2.91Å; A98-K100 VanDerWaalsContact C-N 3.3Å; A98-K100 PolarHBondContact O-N 2.85Å; K100-V102 VanDerWaalsContact C-N 3.33Å; K100-V102 PolarHBondContact O-N 3.02Å; K100-A103 PolarHBondContact O-N 2.93Å; K100-A103 VanDerWaalsContact O-N 3.14Å; K100-D104 IonicContact NZ-OD1 3.51Å; K100-D104 IonicContact NZ-OD2 3.24Å; K100-D104 PolarHBondContact NZ-OD2 3.47Å; K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 3.12Å; K100-P110 HydrophobicContact CB-CG 4.16Å; K100-P110 HydrophobicContact CG-CG 4.22Å
101	Q	98.9	Very high	98.7	Very high	50 Å²	50	40.4 Å²	40.4	23%	0.234	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-38.3	178.6	-68.1	166.7	-27.3	0	0	112.8	T97 A98 L105 G297	T97-Q101 WeakPolarHBondContact O-CG 3.25Å; T97-Q101 PolarHBondContact O-N 2.88Å; A98-Q101 PolarHBondContact O-N 3.33Å; A98-Q101 VanDerWaalsContact O-N 3.16Å; Q101-L105 PolarHBondContact O-N 3Å; Q101-G297 WeakPolarHBondContact CB-O 3.33Å; Q101-G297 VanDerWaalsContact OE1-CA 3.27Å; Q101-G297 PolarHBondContact OE1-O 2.94Å
102	V	98.9	Very high	98.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-44.8	172.8	177.1	0	0	0	0	110.7	A98 R99 K100 L105 I113 I246 A259 L296 C300	A98-V102 WeakPolarHBondContact O-CG2 3.35Å; A98-V102 PolarHBondContact O-N 3.04Å; R99-V102 PolarHBondContact O-N 3.05Å; K100-V102 VanDerWaalsContact C-N 3.33Å; K100-V102 PolarHBondContact O-N 3.02Å; V102-L105 PolarHBondContact O-N 2.91Å; V102-I113 HydrophobicContact CB-CG2 4.2Å; V102-I113 HydrophobicContact CG1-CD1 4.16Å; V102-I113 HydrophobicContact CG1-CG1 4.33Å; V102-I113 HydrophobicContact CG1-CG2 3.86Å; V102-I246 HydrophobicContact CG1-CD1 3.85Å; V102-A259 HydrophobicContact CG1-CB 4.22Å; V102-L296 HydrophobicContact CG2-CD2 4.19Å; V102-L296 HydrophobicContact CG2-CG 3.91Å; V102-C300 HydrophobicContact CG2-CB 4.47Å
103	A	98.8	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-45	-179.3	0	0	0	0	0	112.6	R99 K100 L105 I106 G107 A108 P110 I113	R99-A103 WeakPolarHBondContact O-CB 3.28Å; R99-A103 PolarHBondContact O-N 2.9Å; K100-A103 PolarHBondContact O-N 2.93Å; K100-A103 VanDerWaalsContact O-N 3.14Å; A103-L105 VanDerWaalsContact C-N 3.27Å; A103-L105 PolarHBondContact O-N 3.3Å; A103-I106 PolarHBondContact O-N 2.9Å; A103-G107 PolarHBondContact O-N 3.19Å; A103-A108 HydrophobicContact CB-CB 4.23Å; A103-A108 WeakPolarHBondContact CB-O 3.47Å; A103-A108 PolarHBondContact O-N 3.39Å; A103-P110 HydrophobicContact CB-CB 4.36Å; A103-P110 HydrophobicContact CB-CG 4.1Å; A103-I113 HydrophobicContact CB-CD1 4.3Å; A103-I113 HydrophobicContact CB-CG1 3.72Å
104	D	98.8	Very high	98.7	Very high	61 Å²	61	33.5 Å²	33.5	33%	0.326	18%	0.179	S	C	.	.	H	α-helix	trans	-59.8	-36.4	-179.8	-69.9	-15.3	0	0	0	111.6	K100 I106 Q304	K100-D104 IonicContact NZ-OD1 3.51Å; K100-D104 IonicContact NZ-OD2 3.24Å; K100-D104 PolarHBondContact NZ-OD2 3.47Å; K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 3.12Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 3.05Å; D104-Q304 PolarHBondContact O-NE2 3.46Å
105	L	98.8	Very high	98.7	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-32	179.5	175.9	62.2	0	0	0	113.3	Q101 V102 A103 V229 C300 Q304 M307	Q101-L105 PolarHBondContact O-N 3Å; V102-L105 PolarHBondContact O-N 2.91Å; A103-L105 VanDerWaalsContact C-N 3.27Å; A103-L105 PolarHBondContact O-N 3.3Å; L105-V229 HydrophobicContact CD2-CG1 3.45Å; L105-V229 VanDerWaalsContact CD2-CG1 3.45Å; L105-V229 HydrophobicContact CG-CG1 4.33Å; L105-C300 HydrophobicContact CB-CB 4.23Å; L105-C300 HydrophobicContact CD2-CB 3.68Å; L105-Q304 HydrophobicContact CD1-CB 3.84Å; L105-Q304 HydrophobicContact CD1-CG 4.29Å; L105-M307 HydrophobicContact CD1-CE 3.66Å
106	I	98.6	Very high	98.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-110.1	5.1	-175.4	66.6	171.5	0	0	0	113.2	A103 D104 A108 I113 V229 I234 V236 M244 I246 Y261	A103-I106 PolarHBondContact O-N 2.9Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 3.05Å; I106-A108 HydrophobicContact CD1-CB 3.89Å; I106-A108 HydrophobicContact CG1-CB 3.73Å; I106-I113 HydrophobicContact CD1-CD1 3.95Å; I106-V229 HydrophobicContact CG2-CG2 4.4Å; I106-I234 HydrophobicContact CB-CG2 4.16Å; I106-I234 HydrophobicContact CG2-CG2 4.19Å; I106-V236 HydrophobicContact CB-CG1 4.18Å; I106-V236 HydrophobicContact CD1-CG1 3.86Å; I106-V236 HydrophobicContact CG1-CG1 4.18Å; I106-V236 PolarHBondContact O-N 3.38Å; I106-M244 HydrophobicContact CD1-SD 4.44Å; I106-M244 HydrophobicContact CG2-SD 4.32Å; I106-I246 HydrophobicContact CD1-CD1 4.13Å; I106-I246 HydrophobicContact CG2-CD1 4.48Å; I106-Y261 HydrophobicContact CD1-CD2 4.17Å; I106-Y261 HydrophobicContact CD1-CG 4.27Å
107	G	98.2	Very high	98.7	Very high	51 Å²	51	32.8 Å²	32.8	53%	0.526	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	33	-176.9	0	0	0	0	0	114.3	A103	A103-G107 PolarHBondContact O-N 3.19Å
108	A	98.6	Very high	98.7	Very high	14 Å²	14	29.8 Å²	29.8	12%	0.116	16%	0.164	C	C	.	.			trans	-100.1	166.8	179.7	0	0	0	0	0	112.8	A103 I106 I113 V236 Y261	A103-A108 HydrophobicContact CB-CB 4.23Å; A103-A108 WeakPolarHBondContact CB-O 3.47Å; A103-A108 PolarHBondContact O-N 3.39Å; I106-A108 HydrophobicContact CD1-CB 3.89Å; I106-A108 HydrophobicContact CG1-CB 3.73Å; A108-I113 HydrophobicContact CB-CD1 4.17Å; A108-V236 HydrophobicContact CB-CG2 3.98Å; A108-Y261 HydrophobicContact CB-CD2 3.68Å; A108-Y261 HydrophobicContact CB-CE2 3.6Å
109	D	98.4	Very high	98.7	Very high	51 Å²	51	30.1 Å²	30.1	27%	0.273	17%	0.167	S	C	.	.			trans	-81.4	139	163.5	-173.8	-64.9	0	0	0	109.5	R111 E112	D109-R111 PolarHBondContact O-N 2.8Å; D109-R111 WeakPolarHBondContact OD1-CA 3.13Å; D109-R111 WeakPolarHBondContact OD1-CB 3.46Å; D109-R111 VanDerWaalsContact OD1-CG 3.27Å; D109-R111 WeakPolarHBondContact OD1-CG 3.45Å; D109-R111 IonicContact OD1-CZ 3.54Å; D109-R111 PolarHBondContact OD1-N 2.98Å; D109-R111 IonicContact OD1-NE 2.65Å; D109-R111 PolarHBondContact OD1-NE 2.82Å; D109-R111 IonicContact OD1-NH2 2.98Å; D109-R111 IonicContact OD2-CZ 2.78Å; D109-R111 IonicContact OD2-NE 3.1Å; D109-R111 PolarHBondContact OD2-NE 3.32Å; D109-R111 IonicContact OD2-NH2 3.84Å; D109-R111 PolarHBondContact OD2-NH2 2.83Å; D109-E112 HydrophobicContact CB-CG 4.08Å; D109-E112 PolarHBondContact N-OE2 2.79Å; D109-E112 VanDerWaalsContact O-CB 3.28Å; D109-E112 WeakPolarHBondContact O-CB 3.27Å; D109-E112 PolarHBondContact O-N 3.22Å
110	P	98.5	Very high	98.7	Very high	35 Å²	35	34 Å²	34	23%	0.227	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-54.8	-26.8	177.4	-24.6	32.8	0	0	0	113.1	R99 K100 A103 E112 I113 R281	R99-P110 WeakPolarHBondContact CD-O 3.37Å; R99-P110 HydrophobicContact CG-CB 4.34Å; R99-P110 WeakPolarHBondContact CG-O 3.34Å; K100-P110 HydrophobicContact CB-CG 4.16Å; K100-P110 HydrophobicContact CG-CG 4.22Å; A103-P110 HydrophobicContact CB-CB 4.36Å; A103-P110 HydrophobicContact CB-CG 4.1Å; P110-E112 PolarHBondContact O-N 2.73Å; P110-I113 PolarHBondContact O-N 2.85Å; P110-R281 PolarHBondContact O-NH2 3.08Å
111	R	98.2	Very high	98.7	Very high	134 Å²	134	30.1 Å²	30.1	51%	0.506	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-72.2	-4.8	176.9	-57.9	168.5	-63.6	176.1	-1.2	114	D109 R264 R281	D109-R111 PolarHBondContact O-N 2.8Å; D109-R111 WeakPolarHBondContact OD1-CA 3.13Å; D109-R111 WeakPolarHBondContact OD1-CB 3.46Å; D109-R111 VanDerWaalsContact OD1-CG 3.27Å; D109-R111 WeakPolarHBondContact OD1-CG 3.45Å; D109-R111 IonicContact OD1-CZ 3.54Å; D109-R111 PolarHBondContact OD1-N 2.98Å; D109-R111 IonicContact OD1-NE 2.65Å; D109-R111 PolarHBondContact OD1-NE 2.82Å; D109-R111 IonicContact OD1-NH2 2.98Å; D109-R111 IonicContact OD2-CZ 2.78Å; D109-R111 IonicContact OD2-NE 3.1Å; D109-R111 PolarHBondContact OD2-NE 3.32Å; D109-R111 IonicContact OD2-NH2 3.84Å; D109-R111 PolarHBondContact OD2-NH2 2.83Å; R111-R264 WeakPolarHBondContact O-CD 3.42Å; R111-R281 VanDerWaalsContact CA-CZ 3.44Å; R111-R281 PolarHBondContact O-NH1 3.2Å
112	E	98.6	Very high	98.7	Very high	19 Å²	19	27.7 Å²	27.7	9%	0.089	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-99.4	-11.7	175.4	-60.3	179	128	0	0	111.7	D109 P110 Y261 V262 R264	D109-E112 HydrophobicContact CB-CG 4.08Å; D109-E112 PolarHBondContact N-OE2 2.79Å; D109-E112 VanDerWaalsContact O-CB 3.28Å; D109-E112 WeakPolarHBondContact O-CB 3.27Å; D109-E112 PolarHBondContact O-N 3.22Å; P110-E112 PolarHBondContact O-N 2.73Å; E112-Y261 HydrophobicContact CB-CD2 3.67Å; E112-Y261 HydrophobicContact CB-CE2 3.52Å; E112-Y261 HydrophobicContact CG-CE2 4.13Å; E112-Y261 CarbonylContact O-C 3.59Å; E112-Y261 WeakPolarHBondContact O-CA 3.44Å; E112-Y261 WeakPolarHBondContact OE2-CE2 3.37Å; E112-V262 WeakPolarHBondContact CB-O 3.31Å; E112-V262 PolarHBondContact O-N 3.47Å; E112-R264 HydrophobicContact CG-CB 4Å; E112-R264 HydrophobicContact CG-CG 3.78Å; E112-R264 PolarHBondContact OE1-N 3.49Å
113	I	98.9	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.7	179.7	-53.2	-53.3	0	0	0	110.3	R99 V102 A103 I106 A108 P110 A259 Y261 R281	R99-I113 HydrophobicContact CG-CB 3.7Å; R99-I113 HydrophobicContact CG-CG1 4.45Å; R99-I113 HydrophobicContact CG-CG2 3.97Å; R99-I113 PolarHBondContact NH1-O 2.69Å; V102-I113 HydrophobicContact CB-CG2 4.2Å; V102-I113 HydrophobicContact CG1-CD1 4.16Å; V102-I113 HydrophobicContact CG1-CG1 4.33Å; V102-I113 HydrophobicContact CG1-CG2 3.86Å; A103-I113 HydrophobicContact CB-CD1 4.3Å; A103-I113 HydrophobicContact CB-CG1 3.72Å; I106-I113 HydrophobicContact CD1-CD1 3.95Å; A108-I113 HydrophobicContact CB-CD1 4.17Å; P110-I113 PolarHBondContact O-N 2.85Å; I113-A259 HydrophobicContact CG2-CB 3.93Å; I113-Y261 HydrophobicContact CD1-CD2 4.21Å; I113-R281 PolarHBondContact O-NH1 3.04Å
114	I	98.9	Very high	98.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.6	176.6	-57.8	-58.6	0	0	0	108.4	M125 A259 L260 V262 E280 L283 R284	I114-M125 HydrophobicContact CG2-CE 4.18Å; I114-A259 CarbonylContact O-C 3.46Å; I114-A259 WeakPolarHBondContact O-CA 3.29Å; I114-L260 HydrophobicContact CB-CB 4.47Å; I114-L260 WeakPolarHBondContact CB-O 3.32Å; I114-L260 PolarHBondContact N-O 2.77Å; I114-L260 PolarHBondContact O-N 3.43Å; I114-V262 HydrophobicContact CG1-CG2 4.18Å; I114-E280 WeakPolarHBondContact CA-OE2 3.19Å; I114-E280 HydrophobicContact CD1-CB 4.35Å; I114-E280 HydrophobicContact CG2-CB 3.98Å; I114-E280 HydrophobicContact CG2-CG 4.42Å; I114-L283 HydrophobicContact CD1-CD1 3.95Å; I114-L283 HydrophobicContact CG1-CD1 3.96Å; I114-L283 HydrophobicContact CG2-CB 4.44Å; I114-R284 HydrophobicContact CG2-CB 3.88Å
115	F	98.9	Very high	98.7	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.4	176.5	-71.7	-65.3	0	0	0	111.4	M95 A98 R99 E280 V288 A293 L296	M95-F115 HydrophobicContact CG-CD2 4.28Å; M95-F115 HydrophobicContact CG-CE2 3.84Å; A98-F115 HydrophobicContact CB-CZ 4.18Å; R99-F115 HydrophobicContact CB-CE2 3.99Å; R99-F115 HydrophobicContact CB-CZ 4.05Å; R99-F115 HydrophobicContact CG-CE2 4.33Å; F115-E280 PolarHBondContact N-OE2 2.88Å; F115-V288 HydrophobicContact CB-CG1 4.32Å; F115-V288 HydrophobicContact CD2-CG1 3.94Å; F115-V288 HydrophobicContact CG-CG1 4.32Å; F115-A293 HydrophobicContact CD1-CB 4.3Å; F115-A293 HydrophobicContact CD2-CB 4.46Å; F115-A293 HydrophobicContact CE1-CB 3.96Å; F115-A293 HydrophobicContact CE2-CB 4.13Å; F115-A293 HydrophobicContact CZ-CB 3.87Å; F115-L296 HydrophobicContact CD1-CD2 4.14Å; F115-L296 HydrophobicContact CE1-CD2 4.04Å
116	T	98.9	Very high	98.7	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	176.8	178.2	67.8	0	0	0	0	109.3	G118 S122 M125 V257 G258 L260	T116-G118 VanDerWaalsContact C-N 3.26Å; T116-G118 PolarHBondContact O-N 3.14Å; T116-G118 PolarHBondContact OG1-N 2.8Å; T116-G118 PolarHBondContact OG1-O 3.16Å; T116-G118 VanDerWaalsContact OG1-O 3.06Å; T116-S122 PolarHBondContact OG1-OG 3.18Å; T116-M125 HydrophobicContact CG2-CE 4.44Å; T116-M125 HydrophobicContact CG2-SD 3.72Å; T116-V257 WeakPolarHBondContact O-CA 3.38Å; T116-G258 PolarHBondContact N-O 2.92Å; T116-G258 PolarHBondContact O-N 3.35Å; T116-G258 VanDerWaalsContact OG1-C 3.28Å; T116-G258 PolarHBondContact OG1-O 3.01Å; T116-L260 HydrophobicContact CG2-CB 4.27Å
117	S	98.7	Very high	98.7	Very high	58 Å²	58	26.2 Å²	26.2	41%	0.406	16%	0.156	S	C	.	.	S	Bend	trans	-78.5	-5.3	173.1	63.9	0	0	0	0	114	E121 G256 V257	S117-E121 WeakPolarHBondContact CA-OE2 3.48Å; S117-E121 WeakPolarHBondContact CB-OE2 3.47Å; S117-E121 PolarHBondContact N-OE2 2.93Å; S117-E121 PolarHBondContact OG-OE2 2.82Å; S117-G256 CarbonylContact O-C 3.42Å; S117-G256 WeakPolarHBondContact O-CA 3.25Å; S117-V257 PolarHBondContact O-N 3.26Å; S117-V257 VanDerWaalsContact O-N 3.09Å
118	G	98.5	Very high	98.7	Very high	10 Å²	10	25.1 Å²	25.1	10%	0.103	14%	0.136	C	C	.	.	S	Bend	trans	157.3	178.7	-179.8	0	0	0	0	0	113.4	T116 T120 E121 S122	T116-G118 VanDerWaalsContact C-N 3.26Å; T116-G118 PolarHBondContact O-N 3.14Å; T116-G118 PolarHBondContact OG1-N 2.8Å; T116-G118 PolarHBondContact OG1-O 3.16Å; T116-G118 VanDerWaalsContact OG1-O 3.06Å; G118-T120 VanDerWaalsContact C-N 3.27Å; G118-T120 PolarHBondContact O-N 2.9Å; G118-E121 PolarHBondContact O-N 2.85Å; G118-S122 PolarHBondContact O-N 2.95Å; G118-S122 PolarHBondContact O-OG 2.83Å
119	A	98.5	Very high	98.7	Very high	9 Å²	9	24.5 Å²	24.5	7%	0.074	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-31.4	176.7	0	0	0	0	0	112.9	E121 S122 N123 A226	A119-E121 PolarHBondContact O-N 2.8Å; A119-S122 PolarHBondContact O-N 2.88Å; A119-N123 WeakPolarHBondContact O-CB 3.42Å; A119-N123 VanDerWaalsContact O-CG 3.3Å; A119-N123 PolarHBondContact O-N 3.41Å; A119-N123 PolarHBondContact O-ND2 2.8Å; A119-A226 HydrophobicContact CB-CB 3.74Å
120	T	98.7	Very high	98.7	Very high	83 Å²	83	22 Å²	22	51%	0.509	12%	0.118	S	C	.	.	H	α-helix	trans	-59.2	-48.4	174.8	-60	0	0	0	0	112.2	G118 N124 C150	G118-T120 VanDerWaalsContact C-N 3.27Å; G118-T120 PolarHBondContact O-N 2.9Å; T120-N124 PolarHBondContact O-N 2.91Å; T120-N124 VanDerWaalsContact O-N 3.17Å; T120-N124 PolarHBondContact O-ND2 3.43Å; T120-C150 HydrophobicContact CG2-CB 3.79Å
121	E	98.8	Very high	98.7	Very high	29 Å²	29	20.4 Å²	20.4	14%	0.136	11%	0.107	C	C	.	.	H	α-helix	trans	-64.6	-42.6	175.1	-175.9	-177.9	165.2	0	0	110.6	S117 G118 A119 N124 M125 R284	S117-E121 WeakPolarHBondContact CA-OE2 3.48Å; S117-E121 WeakPolarHBondContact CB-OE2 3.47Å; S117-E121 PolarHBondContact N-OE2 2.93Å; S117-E121 PolarHBondContact OG-OE2 2.82Å; G118-E121 PolarHBondContact O-N 2.85Å; A119-E121 PolarHBondContact O-N 2.8Å; E121-N124 PolarHBondContact O-N 3.42Å; E121-M125 HydrophobicContact CG-CG 4.29Å; E121-M125 HydrophobicContact CG-SD 3.91Å; E121-M125 WeakPolarHBondContact O-CB 3.49Å; E121-M125 VanDerWaalsContact O-CG 3.29Å; E121-M125 WeakPolarHBondContact O-CG 3.49Å; E121-M125 PolarHBondContact O-N 3.11Å; E121-R284 WeakPolarHBondContact OE1-CG 3.49Å; E121-R284 IonicContact OE1-CZ 2.69Å; E121-R284 IonicContact OE1-NE 3.57Å; E121-R284 PolarHBondContact OE1-NE 2.76Å; E121-R284 IonicContact OE1-NH2 3.66Å; E121-R284 PolarHBondContact OE1-NH2 2.67Å; E121-R284 IonicContact OE2-CZ 3.91Å; E121-R284 IonicContact OE2-NE 2.71Å; E121-R284 IonicContact OE2-NH2 3.71Å; E121-R284 PolarHBondContact OE2-NH2 2.87Å
122	S	98.9	Very high	98.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-46.4	-179.6	-50.9	0	0	0	0	112.5	T116 G118 A119 N124 M125 A126 S245 A259	T116-S122 PolarHBondContact OG1-OG 3.18Å; G118-S122 PolarHBondContact O-N 2.95Å; G118-S122 PolarHBondContact O-OG 2.83Å; A119-S122 PolarHBondContact O-N 2.88Å; S122-N124 PolarHBondContact O-N 3.11Å; S122-M125 PolarHBondContact O-N 3.19Å; S122-A126 WeakPolarHBondContact O-CB 3.32Å; S122-A126 PolarHBondContact O-N 2.84Å; S122-S245 VanDerWaalsContact CB-OG 3.26Å; S122-S245 WeakPolarHBondContact CB-OG 3.37Å; S122-A259 PolarHBondContact OG-O 2.94Å
123	N	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-44.3	176	-74.3	-19.3	0	0	0	111.2	A119 A126 I127 C150 V151 H222 D224 S245	A119-N123 WeakPolarHBondContact O-CB 3.42Å; A119-N123 VanDerWaalsContact O-CG 3.3Å; A119-N123 PolarHBondContact O-N 3.41Å; A119-N123 PolarHBondContact O-ND2 2.8Å; N123-A126 PolarHBondContact O-N 2.95Å; N123-I127 WeakPolarHBondContact O-CB 3.44Å; N123-I127 WeakPolarHBondContact O-CD1 3.37Å; N123-I127 WeakPolarHBondContact O-CG1 3.35Å; N123-I127 PolarHBondContact O-N 3.11Å; N123-C150 PolarHBondContact ND2-SG 2.88Å; N123-V151 HydrophobicContact CB-CG2 4.02Å; N123-H222 PolarHBondContact OD1-CE1 2.96Å; N123-H222 PolarHBondContact OD1-NE2 3.19Å; N123-H222 VanDerWaalsContact OD1-NE2 3.17Å; N123-D224 PolarHBondContact ND2-OD2 2.77Å; N123-S245 PolarHBondContact N-OG 3.17Å; N123-S245 WeakPolarHBondContact OD1-CB 3.46Å; N123-S245 PolarHBondContact OD1-OG 3.28Å
124	N	98.9	Very high	98.7	Very high	33 Å²	33	22.4 Å²	22.4	18%	0.176	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-48.8	176	-88	-99.6	0	0	0	111	T120 E121 S122 A126 K128 S154 L273	T120-N124 PolarHBondContact O-N 2.91Å; T120-N124 VanDerWaalsContact O-N 3.17Å; T120-N124 PolarHBondContact O-ND2 3.43Å; E121-N124 PolarHBondContact O-N 3.42Å; S122-N124 PolarHBondContact O-N 3.11Å; N124-A126 PolarHBondContact O-N 3.13Å; N124-K128 VanDerWaalsContact O-CB 3.26Å; N124-K128 WeakPolarHBondContact O-CB 3.42Å; N124-K128 PolarHBondContact O-N 3.08Å; N124-K128 WeakPolarHBondContact OD1-CE 3.33Å; N124-K128 PolarHBondContact OD1-NZ 2.82Å; N124-S154 VanDerWaalsContact CG-OG 3.24Å; N124-S154 PolarHBondContact ND2-OG 3.47Å; N124-S154 PolarHBondContact OD1-OG 3.08Å; N124-S154 VanDerWaalsContact OD1-OG 3.12Å; N124-L273 HydrophobicContact CB-CD1 4.07Å
125	M	98.6	Very high	98.6	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.054	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-42.5	179	-75.7	177.2	58.9	0	0	112.3	I114 T116 E121 S122 G129 L260 L273 L283 R284	I114-M125 HydrophobicContact CG2-CE 4.18Å; T116-M125 HydrophobicContact CG2-CE 4.44Å; T116-M125 HydrophobicContact CG2-SD 3.72Å; E121-M125 HydrophobicContact CG-CG 4.29Å; E121-M125 HydrophobicContact CG-SD 3.91Å; E121-M125 WeakPolarHBondContact O-CB 3.49Å; E121-M125 VanDerWaalsContact O-CG 3.29Å; E121-M125 WeakPolarHBondContact O-CG 3.49Å; E121-M125 PolarHBondContact O-N 3.11Å; S122-M125 PolarHBondContact O-N 3.19Å; M125-G129 WeakPolarHBondContact O-CA 3.45Å; M125-G129 PolarHBondContact O-N 3.43Å; M125-L260 HydrophobicContact CB-CD2 3.91Å; M125-L260 HydrophobicContact CE-CD2 4.23Å; M125-L273 HydrophobicContact CG-CD1 4.23Å; M125-L273 HydrophobicContact CG-CG 4.46Å; M125-L283 WeakPolarHBondContact CE-O 3.29Å; M125-R284 HydrophobicContact CE-CB 3.89Å; M125-R284 HydrophobicContact CE-CG 4.09Å; M125-R284 HydrophobicContact SD-CB 4.38Å; M125-R284 HydrophobicContact SD-CG 3.91Å
126	A	98.8	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-54.1	179.2	0	0	0	0	0	111.1	S122 N123 N124 V130 H222 L243 L260	S122-A126 WeakPolarHBondContact O-CB 3.32Å; S122-A126 PolarHBondContact O-N 2.84Å; N123-A126 PolarHBondContact O-N 2.95Å; N124-A126 PolarHBondContact O-N 3.13Å; A126-V130 WeakPolarHBondContact O-CB 3.35Å; A126-V130 VanDerWaalsContact O-CG2 3.29Å; A126-V130 WeakPolarHBondContact O-CG2 3.45Å; A126-V130 PolarHBondContact O-N 2.88Å; A126-H222 WeakPolarHBondContact CB-CD2 3.17Å; A126-L243 HydrophobicContact CB-CB 4.23Å; A126-L243 HydrophobicContact CB-CD2 3.8Å; A126-L260 HydrophobicContact CB-CD1 3.94Å; A126-L260 HydrophobicContact CB-CD2 4.36Å
127	I	98.8	Very high	98.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-56.5	-172.4	-66.6	161.8	0	0	0	110.8	N123 A131 V151 L158 L191	N123-I127 WeakPolarHBondContact O-CB 3.44Å; N123-I127 WeakPolarHBondContact O-CD1 3.37Å; N123-I127 WeakPolarHBondContact O-CG1 3.35Å; N123-I127 PolarHBondContact O-N 3.11Å; I127-A131 WeakPolarHBondContact O-CB 3.37Å; I127-A131 PolarHBondContact O-N 3.04Å; I127-V151 HydrophobicContact CD1-CB 3.9Å; I127-V151 HydrophobicContact CD1-CG1 3.62Å; I127-V151 HydrophobicContact CD1-CG2 3.84Å; I127-L158 HydrophobicContact CG2-CD1 3.62Å; I127-L191 HydrophobicContact CB-CD2 4.23Å; I127-L191 HydrophobicContact CG1-CD2 4.02Å; I127-L191 HydrophobicContact CG2-CD2 4.41Å
128	K	98.8	Very high	98.2	Very high	28 Å²	28	38.7 Å²	38.7	12%	0.122	20%	0.2	C	C	.	.	H	α-helix	trans	-69.3	-37.5	-178.3	-60	172.8	177.1	171.3	0	111	N124 R132 L158 L273	N124-K128 VanDerWaalsContact O-CB 3.26Å; N124-K128 WeakPolarHBondContact O-CB 3.42Å; N124-K128 PolarHBondContact O-N 3.08Å; N124-K128 WeakPolarHBondContact OD1-CE 3.33Å; N124-K128 PolarHBondContact OD1-NZ 2.82Å; K128-R132 VanDerWaalsContact O-CB 3.3Å; K128-R132 WeakPolarHBondContact O-CB 3.33Å; K128-R132 VanDerWaalsContact O-CG 3.23Å; K128-R132 WeakPolarHBondContact O-CG 3.3Å; K128-R132 PolarHBondContact O-N 2.85Å; K128-L158 HydrophobicContact CG-CD2 4.34Å; K128-L158 HydrophobicContact CG-CG 4.39Å; K128-L273 HydrophobicContact CB-CD1 4.22Å; K128-L273 HydrophobicContact CB-CD2 4Å; K128-L273 HydrophobicContact CD-CD1 4.16Å
129	G	98.6	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-44.2	-179.7	0	0	0	0	0	113.2	M125 F133 L270 E271	M125-G129 WeakPolarHBondContact O-CA 3.45Å; M125-G129 PolarHBondContact O-N 3.43Å; G129-F133 WeakPolarHBondContact O-CB 3.45Å; G129-F133 PolarHBondContact O-N 2.96Å; G129-F133 VanDerWaalsContact O-N 3.17Å; G129-L270 WeakPolarHBondContact O-CA 3.47Å; G129-E271 WeakPolarHBondContact CA-O 3.3Å; G129-E271 PolarHBondContact O-N 3.01Å
130	V	98.6	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-51.3	174.2	173.7	0	0	0	0	109.8	A126 R132 F133 Y134 L191 F220 L243 L270	A126-V130 WeakPolarHBondContact O-CB 3.35Å; A126-V130 VanDerWaalsContact O-CG2 3.29Å; A126-V130 WeakPolarHBondContact O-CG2 3.45Å; A126-V130 PolarHBondContact O-N 2.88Å; V130-R132 PolarHBondContact O-N 3.06Å; V130-F133 PolarHBondContact O-N 2.78Å; V130-Y134 HydrophobicContact CG1-CD2 3.98Å; V130-Y134 HydrophobicContact CG1-CE2 4.43Å; V130-Y134 WeakPolarHBondContact O-CD2 3.36Å; V130-Y134 PolarHBondContact O-N 3.27Å; V130-Y134 VanDerWaalsContact O-N 3.12Å; V130-L191 HydrophobicContact CB-CD1 4.43Å; V130-L191 HydrophobicContact CB-CD2 4.4Å; V130-L191 HydrophobicContact CG1-CB 4.15Å; V130-L191 HydrophobicContact CG1-CD1 4.29Å; V130-L191 HydrophobicContact CG2-CD1 4.26Å; V130-F220 HydrophobicContact CG1-CD2 3.75Å; V130-F220 HydrophobicContact CG1-CE2 4.47Å; V130-L243 HydrophobicContact CG2-CD1 3.66Å; V130-L243 HydrophobicContact CG2-CD2 4.1Å; V130-L270 HydrophobicContact CB-CD2 4.05Å; V130-L270 HydrophobicContact CG2-CD2 3.16Å
131	A	98.3	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-51	-174.7	0	0	0	0	0	111.4	I127 Y134 Q135 V141 L158 F163	I127-A131 WeakPolarHBondContact O-CB 3.37Å; I127-A131 PolarHBondContact O-N 3.04Å; A131-Y134 PolarHBondContact O-N 3.11Å; A131-Q135 WeakPolarHBondContact O-CA 3.3Å; A131-Q135 WeakPolarHBondContact O-CB 3.36Å; A131-Q135 PolarHBondContact O-N 2.67Å; A131-V141 HydrophobicContact CB-CG2 4.28Å; A131-L158 HydrophobicContact CB-CD1 3.55Å; A131-L158 HydrophobicContact CB-CD2 3.92Å; A131-L158 HydrophobicContact CB-CG 4.4Å; A131-F163 HydrophobicContact CB-CD1 4.17Å; A131-F163 HydrophobicContact CB-CE1 3.68Å; A131-F163 HydrophobicContact CB-CZ 3.91Å; A131-F163 WeakPolarHBondContact O-CE1 3.45Å; A131-F163 WeakPolarHBondContact O-CZ 2.99Å
132	R	98.5	Very high	98.1	Very high	53 Å²	53	37.8 Å²	37.8	20%	0.2	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-39.9	-179.3	-65.3	174.9	-179.7	171.4	0.7	113	K128 V130 Y134 Q135 E161 E271 L273	K128-R132 VanDerWaalsContact O-CB 3.3Å; K128-R132 WeakPolarHBondContact O-CB 3.33Å; K128-R132 VanDerWaalsContact O-CG 3.23Å; K128-R132 WeakPolarHBondContact O-CG 3.3Å; K128-R132 PolarHBondContact O-N 2.85Å; V130-R132 PolarHBondContact O-N 3.06Å; R132-Y134 VanDerWaalsContact C-N 3.28Å; R132-Y134 PolarHBondContact O-N 3.29Å; R132-Q135 WeakPolarHBondContact O-CB 3.36Å; R132-Q135 WeakPolarHBondContact O-CG 3.39Å; R132-Q135 PolarHBondContact O-N 3.36Å; R132-E161 IonicContact CZ-OE1 3.71Å; R132-E161 IonicContact CZ-OE2 3.56Å; R132-E161 IonicContact NE-OE1 2.74Å; R132-E161 IonicContact NE-OE2 2.67Å; R132-E161 PolarHBondContact NE-OE2 3.03Å; R132-E161 IonicContact NH2-OE1 2.73Å; R132-E161 PolarHBondContact NH2-OE1 3.05Å; R132-E161 IonicContact NH2-OE2 3.38Å; R132-E161 PolarHBondContact NH2-OE2 3.04Å; R132-E271 HydrophobicContact CB-CB 4.21Å; R132-E271 VanDerWaalsContact CB-OE2 3.29Å; R132-E271 WeakPolarHBondContact CB-OE2 3.44Å; R132-L273 VanDerWaalsContact NH1-CD2 3.31Å
133	F	98.4	Very high	98.1	Very high	85 Å²	85	37.8 Å²	37.8	37%	0.373	18%	0.181	S	C	.	.	H	α-helix	trans	-60.9	-37.6	178.3	-170.6	-83.8	0	0	0	112.6	G129 V130 R269 E271	G129-F133 WeakPolarHBondContact O-CB 3.45Å; G129-F133 PolarHBondContact O-N 2.96Å; G129-F133 VanDerWaalsContact O-N 3.17Å; V130-F133 PolarHBondContact O-N 2.78Å; F133-R269 HydrophobicContact CD1-CB 3.7Å; F133-R269 HydrophobicContact CD2-CB 4.03Å; F133-R269 HydrophobicContact CE1-CB 3.45Å; F133-R269 VanDerWaalsContact CE1-CB 3.45Å; F133-R269 HydrophobicContact CE1-CG 4.14Å; F133-R269 HydrophobicContact CE2-CB 3.79Å; F133-R269 HydrophobicContact CG-CB 4.01Å; F133-R269 HydrophobicContact CZ-CB 3.52Å; F133-R269 HydrophobicContact CZ-CG 4.03Å; F133-E271 HydrophobicContact CB-CB 4.48Å
134	Y	97.9	Very high	98.1	Very high	57 Å²	57	37.9 Å²	37.9	22%	0.224	18%	0.181	C	C	.	.	H	α-helix	trans	-101.2	6.7	-176.8	-66.2	-83.3	0	0	0	114.2	V130 A131 R132 A136 K137 K138 F220 R269	V130-Y134 HydrophobicContact CG1-CD2 3.98Å; V130-Y134 HydrophobicContact CG1-CE2 4.43Å; V130-Y134 WeakPolarHBondContact O-CD2 3.36Å; V130-Y134 PolarHBondContact O-N 3.27Å; V130-Y134 VanDerWaalsContact O-N 3.12Å; A131-Y134 PolarHBondContact O-N 3.11Å; R132-Y134 VanDerWaalsContact C-N 3.28Å; R132-Y134 PolarHBondContact O-N 3.29Å; Y134-A136 PolarHBondContact O-N 3.37Å; Y134-K137 PolarHBondContact O-N 3.44Å; Y134-K138 PolarHBondContact O-N 2.93Å; Y134-F220 HydrophobicContact CD1-CE2 4.46Å; Y134-F220 HydrophobicContact CD2-CD2 4.45Å; Y134-F220 AromaticContact CD2-CE2 3.84Å; Y134-F220 HydrophobicContact CD2-CE2 3.84Å; Y134-F220 HydrophobicContact CE1-CE2 4.04Å; Y134-F220 HydrophobicContact CE1-CZ 4.3Å; Y134-F220 HydrophobicContact CE2-CD2 4.2Å; Y134-F220 AromaticContact CE2-CE2 3.36Å; Y134-F220 HydrophobicContact CE2-CE2 3.36Å; Y134-F220 AromaticContact CE2-CZ 3.95Å; Y134-F220 HydrophobicContact CE2-CZ 3.95Å; Y134-F220 HydrophobicContact CG-CE2 4.38Å; Y134-F220 AromaticContact CZ-CE2 3.47Å; Y134-F220 VanDerWaalsContact CZ-CE2 3.47Å; Y134-F220 AromaticContact CZ-CZ 3.66Å; Y134-F220 WeakPolarHBondContact OH-CZ 3.41Å; Y134-R269 WeakPolarHBondContact CE2-O 3.49Å; Y134-R269 PolarHBondContact OH-N 2.65Å
135	Q	96.9	Very high	98.1	Very high	84 Å²	84	39.9 Å²	39.9	39%	0.393	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27	-171.5	74.1	-174.7	-4.9	0	0	115.1	A131 R132 K137 K138 R139 F163	A131-Q135 WeakPolarHBondContact O-CA 3.3Å; A131-Q135 WeakPolarHBondContact O-CB 3.36Å; A131-Q135 PolarHBondContact O-N 2.67Å; R132-Q135 WeakPolarHBondContact O-CB 3.36Å; R132-Q135 WeakPolarHBondContact O-CG 3.39Å; R132-Q135 PolarHBondContact O-N 3.36Å; Q135-K137 PolarHBondContact O-N 2.85Å; Q135-K138 WeakPolarHBondContact CA-O 3.41Å; Q135-R139 VanDerWaalsContact O-CG 3.24Å; Q135-R139 WeakPolarHBondContact O-CG 3.25Å; Q135-F163 HydrophobicContact CB-CE1 4.22Å; Q135-F163 HydrophobicContact CB-CZ 3.67Å
136	A	96.3	Very high	98	Very high	100 Å²	100	39.5 Å²	39.5	83%	0.826	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.8	-179.7	0	0	0	0	0	113.1	Y134	Y134-A136 PolarHBondContact O-N 3.37Å
137	K	94.6	Very high	98	Very high	189 Å²	189	39.5 Å²	39.5	82%	0.822	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-25.9	-178.7	-63.8	-174.2	-179.9	-175.4	0	113.6	Y134 Q135	Y134-K137 PolarHBondContact O-N 3.44Å; Q135-K137 PolarHBondContact O-N 2.85Å
138	K	97.1	Very high	97.9	Very high	42 Å²	42	41 Å²	41	18%	0.183	20%	0.195	C	C	.	.			trans	-132.3	112.1	-170.7	-63.1	-169.4	162.5	-151.1	0	109.8	Y134 Q135 E188 T189 G218	Y134-K138 PolarHBondContact O-N 2.93Å; Q135-K138 WeakPolarHBondContact CA-O 3.41Å; K138-E188 CarbonylContact C-O 3.53Å; K138-E188 VanDerWaalsContact C-O 3.31Å; K138-E188 WeakPolarHBondContact CA-O 3.44Å; K138-E188 VanDerWaalsContact CB-O 3.26Å; K138-E188 WeakPolarHBondContact CB-O 3.41Å; K138-T189 WeakPolarHBondContact CD-O 3.46Å; K138-T189 PolarHBondContact NZ-O 3.23Å; K138-G218 PolarHBondContact NZ-O 3.27Å
139	R	97.3	Very high	97.8	Very high	112 Å²	112	42 Å²	42	42%	0.423	20%	0.199	S	C	.	.			trans	-123.1	17.8	-176.3	-64.5	-174.3	72.4	113.2	2.2	113.6	Q135 E161 G162 F163 E164 E188	Q135-R139 VanDerWaalsContact O-CG 3.24Å; Q135-R139 WeakPolarHBondContact O-CG 3.25Å; R139-E161 PolarHBondContact NH2-O 3.08Å; R139-E161 VanDerWaalsContact NH2-O 3.13Å; R139-G162 PolarHBondContact NE-O 3.44Å; R139-G162 VanDerWaalsContact NH2-C 3.33Å; R139-G162 PolarHBondContact NH2-O 3.23Å; R139-F163 HydrophobicContact CB-CD1 4.21Å; R139-F163 WeakPolarHBondContact O-CA 3.34Å; R139-E164 PolarHBondContact O-N 3.4Å; R139-E188 PolarHBondContact N-O 2.97Å
140	H	98.8	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.4	175.6	177.7	-127.7	0	0	0	111.2	I142 E164 T166 S184 R186 E188 T189 S190	H140-I142 WeakPolarHBondContact CE1-CG1 3.49Å; H140-E164 CarbonylContact C-O 3.53Å; H140-E164 VanDerWaalsContact CA-O 3.32Å; H140-E164 WeakPolarHBondContact CA-O 3.48Å; H140-E164 PolarHBondContact CD2-O 3.07Å; H140-T166 PolarHBondContact NE2-OG1 3.35Å; H140-S184 PolarHBondContact CE1-O 3.21Å; H140-R186 PolarHBondContact CD2-NH2 2.96Å; H140-R186 VanDerWaalsContact CD2-NH2 3.33Å; H140-E188 HydrophobicContact CB-CG 3.78Å; H140-E188 PolarHBondContact N-O 3.44Å; H140-E188 VanDerWaalsContact N-O 3.08Å; H140-T189 PolarHBondContact ND1-OG1 3.17Å; H140-T189 CarbonylContact O-C 3.56Å; H140-T189 WeakPolarHBondContact O-CA 3.46Å; H140-S190 PolarHBondContact O-N 3.14Å; H140-S190 PolarHBondContact O-OG 3.26Å
141	V	98.8	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.5	174.4	176.3	0	0	0	0	108.8	A131 L158 E164 V165 T166 L191	A131-V141 HydrophobicContact CB-CG2 4.28Å; V141-L158 HydrophobicContact CG2-CD1 4.36Å; V141-E164 PolarHBondContact N-O 3.33Å; V141-V165 HydrophobicContact CB-CG2 4.43Å; V141-V165 CarbonylContact O-C 3.54Å; V141-V165 VanDerWaalsContact O-CA 3.29Å; V141-V165 WeakPolarHBondContact O-CA 3.4Å; V141-T166 PolarHBondContact O-N 2.81Å; V141-L191 WeakPolarHBondContact CA-O 3.46Å; V141-L191 HydrophobicContact CG1-CB 4.33Å; V141-L191 HydrophobicContact CG1-CD2 4.5Å; V141-L191 HydrophobicContact CG2-CB 4.4Å
142	I	98.9	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.5	175.9	-57.2	174.3	0	0	0	108.5	H140 T166 L168 L181 S184 I185 T189 L191 V192 S193	H140-I142 WeakPolarHBondContact CE1-CG1 3.49Å; I142-T166 WeakPolarHBondContact CA-O 3.32Å; I142-L168 HydrophobicContact CG2-CD1 3.51Å; I142-L168 HydrophobicContact CG2-CG 3.78Å; I142-L181 HydrophobicContact CG2-CD1 4.04Å; I142-S184 WeakPolarHBondContact CD1-O 3.41Å; I142-I185 HydrophobicContact CD1-CB 4.41Å; I142-I185 HydrophobicContact CD1-CG1 3.72Å; I142-T189 HydrophobicContact CD1-CG2 3.84Å; I142-T189 HydrophobicContact CG1-CG2 3.97Å; I142-L191 PolarHBondContact N-O 2.76Å; I142-V192 HydrophobicContact CB-CG2 4.13Å; I142-V192 HydrophobicContact CD1-CG2 4.3Å; I142-V192 CarbonylContact O-C 3.58Å; I142-V192 WeakPolarHBondContact O-CA 3.4Å; I142-S193 PolarHBondContact O-N 3.14Å
143	T	98.9	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	175.8	175.9	-162.2	0	0	0	0	110.6	E147 V151 V165 T166 Y167 L168 S193	T143-E147 VanDerWaalsContact OG1-CG 3.3Å; T143-E147 WeakPolarHBondContact OG1-CG 3.34Å; T143-V151 WeakPolarHBondContact OG1-CG1 3.21Å; T143-V165 HydrophobicContact CG2-CG1 4.1Å; T143-T166 PolarHBondContact N-O 3.03Å; T143-T166 VanDerWaalsContact O-O 3.11Å; T143-Y167 HydrophobicContact CG2-CD1 3.38Å; T143-Y167 HydrophobicContact CG2-CE1 3.58Å; T143-Y167 HydrophobicContact CG2-CG 4.16Å; T143-Y167 CarbonylContact O-C 3.43Å; T143-L168 PolarHBondContact O-N 3.28Å; T143-S193 WeakPolarHBondContact CA-O 3.5Å; T143-S193 PolarHBondContact OG1-O 2.96Å
144	T	98.6	Very high	97.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	155.7	176.1	78.8	0	0	0	0	111.9	T146 E147 L152 L168 L176 V194	T144-T146 PolarHBondContact O-N 3.03Å; T144-T146 PolarHBondContact OG1-N 3.01Å; T144-T146 PolarHBondContact OG1-OG1 2.96Å; T144-T146 VanDerWaalsContact OG1-OG1 3.11Å; T144-E147 WeakPolarHBondContact O-CG 3.48Å; T144-E147 WeakPolarHBondContact OG1-CG 3.34Å; T144-E147 PolarHBondContact OG1-N 3.17Å; T144-E147 PolarHBondContact OG1-OE1 2.99Å; T144-E147 VanDerWaalsContact OG1-OE1 3.11Å; T144-L152 WeakPolarHBondContact O-CD2 3.32Å; T144-L168 WeakPolarHBondContact CA-O 3.44Å; T144-L176 HydrophobicContact CG2-CD1 4.21Å; T144-L176 HydrophobicContact CG2-CD2 4.22Å; T144-V194 HydrophobicContact CG2-CB 4.44Å; T144-V194 HydrophobicContact CG2-CG1 4.04Å; T144-V194 HydrophobicContact CG2-CG2 3.94Å
145	Q	98.1	Very high	97.7	Very high	75 Å²	75	36.8 Å²	36.8	35%	0.35	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.1	174	-69.3	175.3	8.8	0	0	113	Y167 L168 A386	Q145-Y167 PolarHBondContact NE2-O 3.34Å; Q145-L168 WeakPolarHBondContact CG-O 3.46Å; Q145-L168 PolarHBondContact N-O 3.33Å; Q145-A386 HydrophobicContact CB-CB 4.06Å
146	T	97.6	Very high	97.7	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	5.3	-176.3	51.9	0	0	0	0	114.4	T144 V170 N198 V383 A386	T144-T146 PolarHBondContact O-N 3.03Å; T144-T146 PolarHBondContact OG1-N 3.01Å; T144-T146 PolarHBondContact OG1-OG1 2.96Å; T144-T146 VanDerWaalsContact OG1-OG1 3.11Å; T146-V170 HydrophobicContact CG2-CB 4.47Å; T146-V170 HydrophobicContact CG2-CG1 4.08Å; T146-V170 HydrophobicContact CG2-CG2 3.56Å; T146-N198 PolarHBondContact O-ND2 3.5Å; T146-V383 HydrophobicContact CG2-CG1 4.04Å; T146-A386 HydrophobicContact CG2-CB 3.83Å
147	E	98.4	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-63.1	160.9	177.6	-66.8	-66.7	108.4	0	0	112.5	T143 T144 V151 L152 V194 M195 Y382	T143-E147 VanDerWaalsContact OG1-CG 3.3Å; T143-E147 WeakPolarHBondContact OG1-CG 3.34Å; T144-E147 WeakPolarHBondContact O-CG 3.48Å; T144-E147 WeakPolarHBondContact OG1-CG 3.34Å; T144-E147 PolarHBondContact OG1-N 3.17Å; T144-E147 PolarHBondContact OG1-OE1 2.99Å; T144-E147 VanDerWaalsContact OG1-OE1 3.11Å; E147-V151 HydrophobicContact CB-CB 3.84Å; E147-V151 HydrophobicContact CB-CG1 3.73Å; E147-V151 HydrophobicContact CG-CB 4.28Å; E147-V151 HydrophobicContact CG-CG1 3.67Å; E147-L152 HydrophobicContact CB-CD2 3.99Å; E147-L152 HydrophobicContact CB-CG 4.1Å; E147-L152 WeakPolarHBondContact O-CD1 3.41Å; E147-V194 WeakPolarHBondContact OE1-CA 3.35Å; E147-M195 WeakPolarHBondContact OE1-CB 3.18Å; E147-M195 WeakPolarHBondContact OE1-CG 3.38Å; E147-M195 PolarHBondContact OE1-N 3.11Å; E147-M195 PolarHBondContact OE2-N 3.47Å; E147-Y382 WeakPolarHBondContact O-CE2 3.46Å; E147-Y382 PolarHBondContact O-OH 3.3Å
148	H	97.1	Very high	98	Very high	33 Å²	33	28.6 Å²	28.6	15%	0.153	13%	0.128	C	C	.	.			trans	-61.9	146.4	169.8	-172.3	-94.8	0	0	0	111.3	C150 V151 L152 M195	H148-C150 PolarHBondContact ND1-N 3.38Å; H148-C150 PolarHBondContact ND1-SG 2.98Å; H148-C150 PolarHBondContact O-N 3.2Å; H148-V151 WeakPolarHBondContact O-CB 3.47Å; H148-V151 PolarHBondContact O-N 3.03Å; H148-L152 PolarHBondContact O-N 3.38Å; H148-M195 HydrophobicContact CB-CE 4.37Å
149	K	95.4	Very high	98.1	Very high	48 Å²	48	30.5 Å²	30.5	21%	0.209	14%	0.137	C	C	.	.	H	α-helix	trans	-47.9	-39.5	-177.9	-76.6	-68.7	-168.1	179.9	0	114.3	V151 L152 D153 T374 Y382	K149-V151 PolarHBondContact O-N 2.86Å; K149-L152 PolarHBondContact O-N 3.11Å; K149-D153 VanDerWaalsContact O-CB 3.3Å; K149-D153 WeakPolarHBondContact O-CB 3.09Å; K149-D153 VanDerWaalsContact O-CG 3.31Å; K149-D153 PolarHBondContact O-N 3.17Å; K149-T374 HydrophobicContact CG-CG2 4.5Å; K149-Y382 HydrophobicContact CD-CE1 3.93Å; K149-Y382 VanDerWaalsContact CE-CE1 3.41Å; K149-Y382 HydrophobicContact CG-CE1 4.01Å; K149-Y382 PolarHBondContact N-OH 3.18Å
150	C	96.1	Very high	98.1	Very high	12 Å²	12	29.4 Å²	29.4	8%	0.081	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-25.3	179.8	65.4	0	0	0	0	114.2	T120 N123 H148 S154	T120-C150 HydrophobicContact CG2-CB 3.79Å; N123-C150 PolarHBondContact ND2-SG 2.88Å; H148-C150 PolarHBondContact ND1-N 3.38Å; H148-C150 PolarHBondContact ND1-SG 2.98Å; H148-C150 PolarHBondContact O-N 3.2Å; C150-S154 VanDerWaalsContact O-CB 3.23Å; C150-S154 WeakPolarHBondContact O-CB 3.33Å; C150-S154 PolarHBondContact O-N 2.92Å; C150-S154 PolarHBondContact O-OG 2.96Å
151	V	98.7	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-76.6	-50.6	169.8	169.5	0	0	0	0	109.9	N123 I127 T143 E147 H148 K149 D153 S154 C155	N123-V151 HydrophobicContact CB-CG2 4.02Å; I127-V151 HydrophobicContact CD1-CB 3.9Å; I127-V151 HydrophobicContact CD1-CG1 3.62Å; I127-V151 HydrophobicContact CD1-CG2 3.84Å; T143-V151 WeakPolarHBondContact OG1-CG1 3.21Å; E147-V151 HydrophobicContact CB-CB 3.84Å; E147-V151 HydrophobicContact CB-CG1 3.73Å; E147-V151 HydrophobicContact CG-CB 4.28Å; E147-V151 HydrophobicContact CG-CG1 3.67Å; H148-V151 WeakPolarHBondContact O-CB 3.47Å; H148-V151 PolarHBondContact O-N 3.03Å; K149-V151 PolarHBondContact O-N 2.86Å; V151-D153 PolarHBondContact O-N 2.85Å; V151-S154 WeakPolarHBondContact O-CB 3.38Å; V151-S154 PolarHBondContact O-N 3.17Å; V151-C155 PolarHBondContact O-N 3.31Å; V151-C155 PolarHBondContact O-SG 3.31Å
152	L	98.4	Very high	98	Very high	7 Å²	7	35 Å²	35	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-46.7	-179	-63.4	179.6	0	0	0	112.1	T144 E147 H148 K149 C155 R156 Y167 Y382	T144-L152 WeakPolarHBondContact O-CD2 3.32Å; E147-L152 HydrophobicContact CB-CD2 3.99Å; E147-L152 HydrophobicContact CB-CG 4.1Å; E147-L152 WeakPolarHBondContact O-CD1 3.41Å; H148-L152 PolarHBondContact O-N 3.38Å; K149-L152 PolarHBondContact O-N 3.11Å; L152-C155 WeakPolarHBondContact O-CB 3.42Å; L152-C155 PolarHBondContact O-N 3.21Å; L152-R156 WeakPolarHBondContact O-CG 3.14Å; L152-R156 PolarHBondContact O-N 2.87Å; L152-Y167 HydrophobicContact CD2-CD1 3.86Å; L152-Y167 HydrophobicContact CD2-CE1 3.72Å; L152-Y167 PolarHBondContact O-OH 2.95Å; L152-Y382 HydrophobicContact CD1-CD2 4.07Å; L152-Y382 HydrophobicContact CD1-CE2 3.51Å
153	D	98.1	Very high	98	Very high	66 Å²	66	35.5 Å²	35.5	35%	0.353	19%	0.193	S	C	.	.	H	α-helix	trans	-71.9	-32.4	179.3	-65.7	-20.1	0	0	0	111.5	K149 V151 C155 R156 I157	K149-D153 VanDerWaalsContact O-CB 3.3Å; K149-D153 WeakPolarHBondContact O-CB 3.09Å; K149-D153 VanDerWaalsContact O-CG 3.31Å; K149-D153 PolarHBondContact O-N 3.17Å; V151-D153 PolarHBondContact O-N 2.85Å; D153-C155 VanDerWaalsContact C-N 3.28Å; D153-C155 PolarHBondContact O-N 3.03Å; D153-R156 PolarHBondContact O-N 3.48Å; D153-R156 IonicContact OD1-CZ 3.73Å; D153-R156 IonicContact OD1-NH1 3.03Å; D153-R156 PolarHBondContact OD1-NH1 3.36Å; D153-I157 VanDerWaalsContact O-CG1 3.3Å; D153-I157 WeakPolarHBondContact O-CG1 3.32Å; D153-I157 PolarHBondContact O-N 2.84Å
154	S	98.6	Very high	98	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-41.1	170.2	-69.3	0	0	0	0	111.5	N124 C150 V151 I157 L158	N124-S154 VanDerWaalsContact CG-OG 3.24Å; N124-S154 PolarHBondContact ND2-OG 3.47Å; N124-S154 PolarHBondContact OD1-OG 3.08Å; N124-S154 VanDerWaalsContact OD1-OG 3.12Å; C150-S154 VanDerWaalsContact O-CB 3.23Å; C150-S154 WeakPolarHBondContact O-CB 3.33Å; C150-S154 PolarHBondContact O-N 2.92Å; C150-S154 PolarHBondContact O-OG 2.96Å; V151-S154 WeakPolarHBondContact O-CB 3.38Å; V151-S154 PolarHBondContact O-N 3.17Å; S154-I157 PolarHBondContact O-N 3.14Å; S154-L158 WeakPolarHBondContact O-CG 3.47Å; S154-L158 PolarHBondContact O-N 3.04Å; S154-L158 VanDerWaalsContact O-N 3.12Å
155	C	98.7	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-42.6	176.1	-64	0	0	0	0	111.8	V151 L152 D153 I157 L158 E159 V165 Y167	V151-C155 PolarHBondContact O-N 3.31Å; V151-C155 PolarHBondContact O-SG 3.31Å; L152-C155 WeakPolarHBondContact O-CB 3.42Å; L152-C155 PolarHBondContact O-N 3.21Å; D153-C155 VanDerWaalsContact C-N 3.28Å; D153-C155 PolarHBondContact O-N 3.03Å; C155-I157 VanDerWaalsContact C-N 3.28Å; C155-I157 PolarHBondContact O-N 3.47Å; C155-L158 CarbonylContact O-C 3.19Å; C155-L158 WeakPolarHBondContact O-CA 3.3Å; C155-L158 WeakPolarHBondContact O-CB 3.29Å; C155-L158 PolarHBondContact O-N 3.01Å; C155-E159 PolarHBondContact O-N 3.4Å; C155-V165 HydrophobicContact CB-CG1 3.83Å; C155-V165 HydrophobicContact CB-CG2 4.11Å; C155-Y167 HydrophobicContact CB-CE1 4.16Å; C155-Y167 WeakPolarHBondContact CB-OH 3.49Å
156	R	98.4	Very high	98	Very high	119 Å²	119	38.8 Å²	38.8	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-38.9	175	-71.5	176.4	-172	152.4	4.5	112.9	L152 D153 L158 E159 A160 Y167	L152-R156 WeakPolarHBondContact O-CG 3.14Å; L152-R156 PolarHBondContact O-N 2.87Å; D153-R156 PolarHBondContact O-N 3.48Å; D153-R156 IonicContact OD1-CZ 3.73Å; D153-R156 IonicContact OD1-NH1 3.03Å; D153-R156 PolarHBondContact OD1-NH1 3.36Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-E159 WeakPolarHBondContact CA-OE2 3.42Å; R156-E159 WeakPolarHBondContact O-CB 3.15Å; R156-E159 PolarHBondContact O-N 3.45Å; R156-A160 PolarHBondContact O-N 2.81Å; R156-A160 VanDerWaalsContact O-N 3.16Å; R156-Y167 PolarHBondContact N-OH 3.06Å
157	I	98.4	Very high	98.1	Very high	81 Å²	81	41.2 Å²	41.2	42%	0.415	22%	0.221	S	C	.	.	H	α-helix	trans	-65.6	-38.9	174.1	-67.1	-62.8	0	0	0	110.9	D153 S154 C155 E159 A160 E161	D153-I157 VanDerWaalsContact O-CG1 3.3Å; D153-I157 WeakPolarHBondContact O-CG1 3.32Å; D153-I157 PolarHBondContact O-N 2.84Å; S154-I157 PolarHBondContact O-N 3.14Å; C155-I157 VanDerWaalsContact C-N 3.28Å; C155-I157 PolarHBondContact O-N 3.47Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-A160 PolarHBondContact O-N 3.18Å; I157-E161 WeakPolarHBondContact CG2-OE1 3.4Å; I157-E161 WeakPolarHBondContact O-CG 3.42Å; I157-E161 PolarHBondContact O-N 3.23Å; I157-E161 VanDerWaalsContact O-N 3.1Å
158	L	98.4	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-35.8	173.8	-70.3	176.9	0	0	0	112.5	I127 K128 A131 V141 S154 C155 R156 A160 E161 G162 F163	I127-L158 HydrophobicContact CG2-CD1 3.62Å; K128-L158 HydrophobicContact CG-CD2 4.34Å; K128-L158 HydrophobicContact CG-CG 4.39Å; A131-L158 HydrophobicContact CB-CD1 3.55Å; A131-L158 HydrophobicContact CB-CD2 3.92Å; A131-L158 HydrophobicContact CB-CG 4.4Å; V141-L158 HydrophobicContact CG2-CD1 4.36Å; S154-L158 WeakPolarHBondContact O-CG 3.47Å; S154-L158 PolarHBondContact O-N 3.04Å; S154-L158 VanDerWaalsContact O-N 3.12Å; C155-L158 CarbonylContact O-C 3.19Å; C155-L158 WeakPolarHBondContact O-CA 3.3Å; C155-L158 WeakPolarHBondContact O-CB 3.29Å; C155-L158 PolarHBondContact O-N 3.01Å; R156-L158 VanDerWaalsContact C-N 3.34Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.72Å; L158-E161 CarbonylContact O-C 3.28Å; L158-E161 WeakPolarHBondContact O-CA 3.47Å; L158-E161 WeakPolarHBondContact O-CB 3.34Å; L158-E161 PolarHBondContact O-N 3.22Å; L158-G162 PolarHBondContact O-N 3.16Å; L158-F163 HydrophobicContact CB-CB 4.03Å; L158-F163 HydrophobicContact CB-CD2 4.08Å; L158-F163 HydrophobicContact CB-CG 4.17Å; L158-F163 HydrophobicContact CD2-CD2 3.93Å; L158-F163 HydrophobicContact CD2-CE2 3.96Å; L158-F163 WeakPolarHBondContact O-CB 3.4Å; L158-F163 WeakPolarHBondContact O-CD2 3.37Å; L158-F163 PolarHBondContact O-N 2.97Å
159	E	98.5	Very high	98.2	Very high	82 Å²	82	42.8 Å²	42.8	38%	0.383	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-44.4	172.6	-66.2	178.4	119.3	0	0	111.2	C155 R156 I157 E161 G162 F163 V165 Y167	C155-E159 PolarHBondContact O-N 3.4Å; R156-E159 WeakPolarHBondContact CA-OE2 3.42Å; R156-E159 WeakPolarHBondContact O-CB 3.15Å; R156-E159 PolarHBondContact O-N 3.45Å; I157-E159 VanDerWaalsContact C-N 3.35Å; E159-E161 PolarHBondContact O-N 3.42Å; E159-G162 WeakPolarHBondContact O-CA 3.18Å; E159-G162 PolarHBondContact O-N 2.98Å; E159-F163 WeakPolarHBondContact CA-O 3.45Å; E159-V165 HydrophobicContact CG-CB 3.87Å; E159-V165 HydrophobicContact CG-CG2 3.5Å; E159-Y167 PolarHBondContact OE2-OH 3.39Å
160	A	98.1	Very high	98.3	Very high	90 Å²	90	41.3 Å²	41.3	74%	0.744	23%	0.228	S	C	*	.	H	α-helix	trans	-64.2	-25	174.3	0	0	0	0	0	113.3	R156 I157 L158 G162	R156-A160 PolarHBondContact O-N 2.81Å; R156-A160 VanDerWaalsContact O-N 3.16Å; I157-A160 PolarHBondContact O-N 3.18Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.72Å; A160-G162 VanDerWaalsContact C-N 3.25Å
161	E	97.7	Very high	98.4	Very high	72 Å²	72	45.2 Å²	45.2	34%	0.336	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2.6	171.8	-67.3	171.5	-153.2	0	0	112.9	R132 R139 I157 L158 E159 F163	R132-E161 IonicContact CZ-OE1 3.71Å; R132-E161 IonicContact CZ-OE2 3.56Å; R132-E161 IonicContact NE-OE1 2.74Å; R132-E161 IonicContact NE-OE2 2.67Å; R132-E161 PolarHBondContact NE-OE2 3.03Å; R132-E161 IonicContact NH2-OE1 2.73Å; R132-E161 PolarHBondContact NH2-OE1 3.05Å; R132-E161 IonicContact NH2-OE2 3.38Å; R132-E161 PolarHBondContact NH2-OE2 3.04Å; R139-E161 PolarHBondContact NH2-O 3.08Å; R139-E161 VanDerWaalsContact NH2-O 3.13Å; I157-E161 WeakPolarHBondContact CG2-OE1 3.4Å; I157-E161 WeakPolarHBondContact O-CG 3.42Å; I157-E161 PolarHBondContact O-N 3.23Å; I157-E161 VanDerWaalsContact O-N 3.1Å; L158-E161 CarbonylContact O-C 3.28Å; L158-E161 WeakPolarHBondContact O-CA 3.47Å; L158-E161 WeakPolarHBondContact O-CB 3.34Å; L158-E161 PolarHBondContact O-N 3.22Å; E159-E161 PolarHBondContact O-N 3.42Å; E161-F163 HydrophobicContact CB-CD2 4.2Å; E161-F163 HydrophobicContact CB-CE2 4.43Å
162	G	97.9	Very high	98.3	Very high	45 Å²	45	50.8 Å²	50.8	46%	0.464	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	26.8	177.3	0	0	0	0	0	114.2	R139 L158 E159 A160	R139-G162 PolarHBondContact NE-O 3.44Å; R139-G162 VanDerWaalsContact NH2-C 3.33Å; R139-G162 PolarHBondContact NH2-O 3.23Å; L158-G162 PolarHBondContact O-N 3.16Å; E159-G162 WeakPolarHBondContact O-CA 3.18Å; E159-G162 PolarHBondContact O-N 2.98Å; A160-G162 VanDerWaalsContact C-N 3.25Å
163	F	98.6	Very high	98.2	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.048	29%	0.287	C	S	.	.			trans	-84.5	152	162.9	-71.6	-101.9	0	0	0	109.8	A131 Q135 R139 L158 E159 E161	A131-F163 HydrophobicContact CB-CD1 4.17Å; A131-F163 HydrophobicContact CB-CE1 3.68Å; A131-F163 HydrophobicContact CB-CZ 3.91Å; A131-F163 WeakPolarHBondContact O-CE1 3.45Å; A131-F163 WeakPolarHBondContact O-CZ 2.99Å; Q135-F163 HydrophobicContact CB-CE1 4.22Å; Q135-F163 HydrophobicContact CB-CZ 3.67Å; R139-F163 HydrophobicContact CB-CD1 4.21Å; R139-F163 WeakPolarHBondContact O-CA 3.34Å; L158-F163 HydrophobicContact CB-CB 4.03Å; L158-F163 HydrophobicContact CB-CD2 4.08Å; L158-F163 HydrophobicContact CB-CG 4.17Å; L158-F163 HydrophobicContact CD2-CD2 3.93Å; L158-F163 HydrophobicContact CD2-CE2 3.96Å; L158-F163 WeakPolarHBondContact O-CB 3.4Å; L158-F163 WeakPolarHBondContact O-CD2 3.37Å; L158-F163 PolarHBondContact O-N 2.97Å; E159-F163 WeakPolarHBondContact CA-O 3.45Å; E161-F163 HydrophobicContact CB-CD2 4.2Å; E161-F163 HydrophobicContact CB-CE2 4.43Å
164	E	98.5	Very high	98.1	Very high	98 Å²	98	49.1 Å²	49.1	46%	0.458	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133	166	-168.1	-175.3	148.6	0	0	109.1	R139 H140 V141 R186	R139-E164 PolarHBondContact O-N 3.4Å; H140-E164 CarbonylContact C-O 3.53Å; H140-E164 VanDerWaalsContact CA-O 3.32Å; H140-E164 WeakPolarHBondContact CA-O 3.48Å; H140-E164 PolarHBondContact CD2-O 3.07Å; V141-E164 PolarHBondContact N-O 3.33Å; E164-R186 IonicContact OE1-CZ 3.43Å; E164-R186 VanDerWaalsContact OE1-CZ 3.25Å; E164-R186 IonicContact OE1-NH1 2.69Å; E164-R186 PolarHBondContact OE1-NH1 3.34Å; E164-R186 IonicContact OE1-NH2 3.75Å; E164-R186 PolarHBondContact OE1-NH2 3.3Å; E164-R186 IonicContact OE2-CZ 2.74Å; E164-R186 IonicContact OE2-NH1 3.63Å; E164-R186 IonicContact OE2-NH2 3.51Å; E164-R186 PolarHBondContact OE2-NH2 3.48Å
165	V	98.8	Very high	98.1	Very high	14 Å²	14	50.5 Å²	50.5	9%	0.085	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.9	176.3	-176.2	0	0	0	0	110.1	V141 T143 C155 E159 Y167	V141-V165 HydrophobicContact CB-CG2 4.43Å; V141-V165 CarbonylContact O-C 3.54Å; V141-V165 VanDerWaalsContact O-CA 3.29Å; V141-V165 WeakPolarHBondContact O-CA 3.4Å; T143-V165 HydrophobicContact CG2-CG1 4.1Å; C155-V165 HydrophobicContact CB-CG1 3.83Å; C155-V165 HydrophobicContact CB-CG2 4.11Å; E159-V165 HydrophobicContact CG-CB 3.87Å; E159-V165 HydrophobicContact CG-CG2 3.5Å; V165-Y167 HydrophobicContact CB-CD2 4.4Å; V165-Y167 HydrophobicContact CB-CE2 3.83Å; V165-Y167 HydrophobicContact CG1-CD2 3.9Å; V165-Y167 HydrophobicContact CG1-CE1 4.16Å; V165-Y167 HydrophobicContact CG1-CE2 3.5Å; V165-Y167 VanDerWaalsContact CG1-CE2 3.5Å; V165-Y167 HydrophobicContact CG1-CG 4.4Å
166	T	98.8	Very high	98.1	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.202	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.2	169.3	-64.4	0	0	0	0	109.7	H140 V141 I142 T143 L168	H140-T166 PolarHBondContact NE2-OG1 3.35Å; V141-T166 PolarHBondContact O-N 2.81Å; I142-T166 WeakPolarHBondContact CA-O 3.32Å; T143-T166 PolarHBondContact N-O 3.03Å; T143-T166 VanDerWaalsContact O-O 3.11Å; T166-L168 HydrophobicContact CG2-CD2 3.62Å; T166-L168 HydrophobicContact CG2-CG 4.15Å
167	Y	98.8	Very high	98.1	Very high	54 Å²	54	48 Å²	48	21%	0.212	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	93.6	172.8	-65.1	-90.2	0	0	0	110.3	T143 Q145 L152 C155 R156 E159 V165	T143-Y167 HydrophobicContact CG2-CD1 3.38Å; T143-Y167 HydrophobicContact CG2-CE1 3.58Å; T143-Y167 HydrophobicContact CG2-CG 4.16Å; T143-Y167 CarbonylContact O-C 3.43Å; Q145-Y167 PolarHBondContact NE2-O 3.34Å; L152-Y167 HydrophobicContact CD2-CD1 3.86Å; L152-Y167 HydrophobicContact CD2-CE1 3.72Å; L152-Y167 PolarHBondContact O-OH 2.95Å; C155-Y167 HydrophobicContact CB-CE1 4.16Å; C155-Y167 WeakPolarHBondContact CB-OH 3.49Å; R156-Y167 PolarHBondContact N-OH 3.06Å; E159-Y167 PolarHBondContact OE2-OH 3.39Å; V165-Y167 HydrophobicContact CB-CD2 4.4Å; V165-Y167 HydrophobicContact CB-CE2 3.83Å; V165-Y167 HydrophobicContact CG1-CD2 3.9Å; V165-Y167 HydrophobicContact CG1-CE1 4.16Å; V165-Y167 HydrophobicContact CG1-CE2 3.5Å; V165-Y167 VanDerWaalsContact CG1-CE2 3.5Å; V165-Y167 HydrophobicContact CG1-CG 4.4Å
168	L	98.7	Very high	98.1	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.4	-178	-64.7	179.5	0	0	0	111.3	I142 T143 T144 Q145 T166 L176 L180 L181 S184	I142-L168 HydrophobicContact CG2-CD1 3.51Å; I142-L168 HydrophobicContact CG2-CG 3.78Å; T143-L168 PolarHBondContact O-N 3.28Å; T144-L168 WeakPolarHBondContact CA-O 3.44Å; Q145-L168 WeakPolarHBondContact CG-O 3.46Å; Q145-L168 PolarHBondContact N-O 3.33Å; T166-L168 HydrophobicContact CG2-CD2 3.62Å; T166-L168 HydrophobicContact CG2-CG 4.15Å; L168-L176 HydrophobicContact CB-CD1 3.83Å; L168-L176 HydrophobicContact CD1-CD1 3.91Å; L168-L180 HydrophobicContact CD2-CD2 4.2Å; L168-L180 HydrophobicContact CD2-CG 4.04Å; L168-L181 HydrophobicContact CD1-CB 4.02Å; L168-L181 HydrophobicContact CD1-CD1 3.76Å; L168-S184 WeakPolarHBondContact CD2-OG 3.42Å
169	P	98.3	Very high	98.1	Very high	60 Å²	60	53.9 Å²	53.9	39%	0.39	30%	0.301	S	S	.	.			trans	-66.6	162.2	167.9	32.5	-35.6	0	0	0	110	L180	P169-L180 HydrophobicContact CG-CD2 3.89Å
170	V	98	Very high	98.1	Very high	17 Å²	17	52.7 Å²	52.7	10%	0.103	30%	0.297	C	S	.	.			trans	-111.9	162.5	170.9	-66.5	0	0	0	0	109.6	T146 A386 I387	T146-V170 HydrophobicContact CG2-CB 4.47Å; T146-V170 HydrophobicContact CG2-CG1 4.08Å; T146-V170 HydrophobicContact CG2-CG2 3.56Å; V170-A386 HydrophobicContact CG2-CB 4.48Å; V170-I387 HydrophobicContact CG2-CG2 3.78Å
171	Q	97.7	Very high	98.1	Very high	94 Å²	94	48.4 Å²	48.4	44%	0.439	26%	0.261	S	S	.	.			trans	-67	167.9	169.5	-66.4	179.2	-26.8	0	0	110.6	N173 G174 L175	Q171-N173 WeakPolarHBondContact CB-OD1 3.42Å; Q171-N173 PolarHBondContact O-N 3.17Å; Q171-N173 VanDerWaalsContact O-N 3.16Å; Q171-G174 WeakPolarHBondContact O-CA 3.47Å; Q171-G174 PolarHBondContact O-N 3.43Å; Q171-L175 WeakPolarHBondContact CB-O 3.44Å; Q171-L175 PolarHBondContact N-O 2.91Å
172	T	96.4	Very high	98.1	Very high	117 Å²	117	49.1 Å²	49.1	72%	0.718	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.3	-179.7	52.8	0	0	0	0	113.8	G174 I387	T172-G174 VanDerWaalsContact C-N 3.32Å; T172-I387 WeakPolarHBondContact CA-O 3.11Å
173	N	96	Very high	98.1	Very high	38 Å²	38	51.1 Å²	51.1	20%	0.203	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.4	171.1	67.3	-9.6	0	0	0	113.2	Q171 L175 V203 G336 D337	Q171-N173 WeakPolarHBondContact CB-OD1 3.42Å; Q171-N173 PolarHBondContact O-N 3.17Å; Q171-N173 VanDerWaalsContact O-N 3.16Å; N173-L175 WeakPolarHBondContact ND2-CD1 3.22Å; N173-L175 PolarHBondContact OD1-N 3.34Å; N173-L175 VanDerWaalsContact OD1-N 3.14Å; N173-V203 WeakPolarHBondContact O-CG2 3.32Å; N173-G336 CarbonylContact O-C 3.6Å; N173-G336 WeakPolarHBondContact O-CA 3.47Å; N173-D337 HydrophobicContact CB-CB 3.98Å; N173-D337 PolarHBondContact ND2-OD2 3.31Å; N173-D337 PolarHBondContact O-N 3.46Å
174	G	97.3	Very high	98.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.01	28%	0.276	C	S	.	.	S	Bend	trans	83	-0.5	-180	0	0	0	0	0	115.8	Q171 T172 Q205	Q171-G174 WeakPolarHBondContact O-CA 3.47Å; Q171-G174 PolarHBondContact O-N 3.43Å; T172-G174 VanDerWaalsContact C-N 3.32Å; G174-Q205 PolarHBondContact O-NE2 2.92Å
175	L	98.3	Very high	98.1	Very high	29 Å²	29	47.8 Å²	47.8	15%	0.152	26%	0.259	C	S	.	.			trans	-78.9	145.9	176.4	-68.6	177.7	0	0	0	111.8	Q171 N173 V203 K204 D337 Q340	Q171-L175 WeakPolarHBondContact CB-O 3.44Å; Q171-L175 PolarHBondContact N-O 2.91Å; N173-L175 WeakPolarHBondContact ND2-CD1 3.22Å; N173-L175 PolarHBondContact OD1-N 3.34Å; N173-L175 VanDerWaalsContact OD1-N 3.14Å; L175-V203 HydrophobicContact CD2-CG1 3.61Å; L175-V203 HydrophobicContact CG-CG1 4.2Å; L175-K204 WeakPolarHBondContact CD2-O 3.38Å; L175-D337 HydrophobicContact CD1-CB 4.49Å; L175-D337 HydrophobicContact CG-CB 4.47Å; L175-Q340 HydrophobicContact CD1-CB 4.27Å; L175-Q340 HydrophobicContact CD1-CG 4.29Å; L175-Q340 HydrophobicContact CD2-CB 4.15Å
176	L	97.9	Very high	98.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	27%	0.268	C	S	.	.			trans	-78.3	133.9	174.2	-178.7	63.3	0	0	0	110.9	T144 L168 L178 L181 V194 I210	T144-L176 HydrophobicContact CG2-CD1 4.21Å; T144-L176 HydrophobicContact CG2-CD2 4.22Å; L168-L176 HydrophobicContact CB-CD1 3.83Å; L168-L176 HydrophobicContact CD1-CD1 3.91Å; L176-L178 PolarHBondContact O-N 2.85Å; L176-L181 HydrophobicContact CD2-CB 4.18Å; L176-L181 HydrophobicContact CD2-CD2 4.02Å; L176-L181 HydrophobicContact CD2-CG 4.47Å; L176-V194 HydrophobicContact CD2-CG1 4.46Å; L176-V194 HydrophobicContact CD2-CG2 3.99Å; L176-I210 HydrophobicContact CD2-CD1 4.2Å
177	D	98.3	Very high	98	Very high	60 Å²	60	54.8 Å²	54.8	32%	0.321	30%	0.296	S	S	.	.			trans	-72	112.3	167.8	-179.2	-11.1	0	0	0	110.3	Q179 L180 L181	D177-Q179 VanDerWaalsContact C-N 3.34Å; D177-Q179 PolarHBondContact O-N 3.22Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.35Å; D177-Q179 PolarHBondContact OD1-N 3.29Å; D177-L180 HydrophobicContact CB-CB 3.86Å; D177-L180 PolarHBondContact O-N 2.95Å; D177-L180 PolarHBondContact OD1-N 3.48Å; D177-L181 PolarHBondContact O-N 3.33Å
178	L	98.4	Very high	97.9	Very high	49 Å²	49	55.3 Å²	55.3	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-67.6	-30.5	-178.7	-64.2	-175.5	0	0	0	113.4	L176 L181 E182 P206 E209 I210 I213	L176-L178 PolarHBondContact O-N 2.85Å; L178-L181 HydrophobicContact CD2-CD2 4.39Å; L178-L181 PolarHBondContact O-N 2.97Å; L178-E182 WeakPolarHBondContact O-CB 3.48Å; L178-E182 PolarHBondContact O-N 3.32Å; L178-P206 HydrophobicContact CD1-CG 4.24Å; L178-P206 HydrophobicContact CD2-CG 4.04Å; L178-P206 HydrophobicContact CG-CG 4.39Å; L178-E209 HydrophobicContact CD1-CB 3.79Å; L178-E209 HydrophobicContact CD1-CG 4.44Å; L178-I210 HydrophobicContact CD2-CD1 4.26Å; L178-I210 HydrophobicContact CD2-CG1 3.54Å; L178-I213 HydrophobicContact CB-CD1 4.12Å; L178-I213 HydrophobicContact CD2-CD1 4.33Å
179	Q	98.3	Very high	97.9	Very high	155 Å²	155	55 Å²	55	72%	0.724	30%	0.299	S	S	*	.	H	α-helix	trans	-70.5	-41	176	-62.4	-178.1	4.5	0	0	110.1	D177 E182 S183	D177-Q179 VanDerWaalsContact C-N 3.34Å; D177-Q179 PolarHBondContact O-N 3.22Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.35Å; D177-Q179 PolarHBondContact OD1-N 3.29Å; Q179-E182 PolarHBondContact O-N 3.46Å; Q179-S183 WeakPolarHBondContact O-CB 3.36Å; Q179-S183 PolarHBondContact O-N 3.24Å; Q179-S183 PolarHBondContact O-OG 3.1Å
180	L	98.4	Very high	97.9	Very high	57 Å²	57	52.2 Å²	52.2	30%	0.298	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-45.7	174.1	-177.4	62.4	0	0	0	110.9	L168 P169 D177 E182 S183 S184	L168-L180 HydrophobicContact CD2-CD2 4.2Å; L168-L180 HydrophobicContact CD2-CG 4.04Å; P169-L180 HydrophobicContact CG-CD2 3.89Å; D177-L180 HydrophobicContact CB-CB 3.86Å; D177-L180 PolarHBondContact O-N 2.95Å; D177-L180 PolarHBondContact OD1-N 3.48Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3.31Å; L180-S183 PolarHBondContact O-N 3.04Å; L180-S183 PolarHBondContact O-OG 2.8Å; L180-S184 WeakPolarHBondContact O-CB 3.43Å; L180-S184 PolarHBondContact O-N 3.46Å; L180-S184 PolarHBondContact O-OG 2.89Å
181	L	98.6	Very high	97.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-50.1	173.8	170.9	64.8	0	0	0	111.2	I142 L168 L176 D177 L178 S183 S184 I185 V192 I210	I142-L181 HydrophobicContact CG2-CD1 4.04Å; L168-L181 HydrophobicContact CD1-CB 4.02Å; L168-L181 HydrophobicContact CD1-CD1 3.76Å; L176-L181 HydrophobicContact CD2-CB 4.18Å; L176-L181 HydrophobicContact CD2-CD2 4.02Å; L176-L181 HydrophobicContact CD2-CG 4.47Å; D177-L181 PolarHBondContact O-N 3.33Å; L178-L181 HydrophobicContact CD2-CD2 4.39Å; L178-L181 PolarHBondContact O-N 2.97Å; L181-S183 PolarHBondContact O-N 3.1Å; L181-S184 PolarHBondContact O-N 3.08Å; L181-I185 PolarHBondContact O-N 3.12Å; L181-V192 HydrophobicContact CD1-CG1 3.93Å; L181-V192 HydrophobicContact CD1-CG2 4.2Å; L181-I210 HydrophobicContact CD2-CB 4.29Å; L181-I210 HydrophobicContact CD2-CG1 3.86Å; L181-I210 HydrophobicContact CD2-CG2 3.89Å
182	E	98.5	Very high	98	Very high	86 Å²	86	46.9 Å²	46.9	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-47.5	-177.4	-175.5	170.9	-162.4	0	0	111.6	L178 Q179 L180 S184 I185 I213 K217	L178-E182 WeakPolarHBondContact O-CB 3.48Å; L178-E182 PolarHBondContact O-N 3.32Å; Q179-E182 PolarHBondContact O-N 3.46Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3.31Å; E182-S184 VanDerWaalsContact C-N 3.25Å; E182-S184 PolarHBondContact O-N 3.46Å; E182-I185 PolarHBondContact O-N 3.19Å; E182-I213 HydrophobicContact CB-CG2 4.12Å; E182-I213 HydrophobicContact CG-CG2 4.16Å; E182-K217 PolarHBondContact O-NZ 2.65Å; E182-K217 IonicContact OE1-NZ 3.87Å
183	S	98.3	Very high	98.1	Very high	87 Å²	87	41.3 Å²	41.3	61%	0.608	22%	0.22	S	C	*	.	H	α-helix	trans	-66.1	-26.3	178.4	69	0	0	0	0	113.3	Q179 L180 L181 I185	Q179-S183 WeakPolarHBondContact O-CB 3.36Å; Q179-S183 PolarHBondContact O-N 3.24Å; Q179-S183 PolarHBondContact O-OG 3.1Å; L180-S183 PolarHBondContact O-N 3.04Å; L180-S183 PolarHBondContact O-OG 2.8Å; L181-S183 PolarHBondContact O-N 3.1Å; S183-I185 VanDerWaalsContact C-N 3.33Å
184	S	98.5	Very high	98.2	Very high	21 Å²	21	39.6 Å²	39.6	15%	0.147	21%	0.211	C	C	.	.	H	α-helix	trans	-78.7	-15.3	179.2	-57.2	0	0	0	0	113.3	H140 I142 L168 L180 L181 E182 R186	H140-S184 PolarHBondContact CE1-O 3.21Å; I142-S184 WeakPolarHBondContact CD1-O 3.41Å; L168-S184 WeakPolarHBondContact CD2-OG 3.42Å; L180-S184 WeakPolarHBondContact O-CB 3.43Å; L180-S184 PolarHBondContact O-N 3.46Å; L180-S184 PolarHBondContact O-OG 2.89Å; L181-S184 PolarHBondContact O-N 3.08Å; E182-S184 VanDerWaalsContact C-N 3.25Å; E182-S184 PolarHBondContact O-N 3.46Å; S184-R186 PolarHBondContact O-N 2.91Å
185	I	98.6	Very high	98.3	Very high	19 Å²	19	39.7 Å²	39.7	10%	0.097	21%	0.211	C	C	.	.			trans	-76.4	119.9	177.3	-68.1	164.8	0	0	0	110.5	I142 L181 E182 S183 V192 I213 K217 V219	I142-I185 HydrophobicContact CD1-CB 4.41Å; I142-I185 HydrophobicContact CD1-CG1 3.72Å; L181-I185 PolarHBondContact O-N 3.12Å; E182-I185 PolarHBondContact O-N 3.19Å; S183-I185 VanDerWaalsContact C-N 3.33Å; I185-V192 HydrophobicContact CD1-CG2 4.34Å; I185-V192 HydrophobicContact CG1-CG2 4.31Å; I185-I213 HydrophobicContact CD1-CG2 3.75Å; I185-K217 HydrophobicContact CB-CD 3.73Å; I185-K217 HydrophobicContact CD1-CD 3.93Å; I185-K217 HydrophobicContact CG1-CD 4.44Å; I185-K217 HydrophobicContact CG2-CB 3.91Å; I185-K217 HydrophobicContact CG2-CD 3.48Å; I185-K217 VanDerWaalsContact CG2-CD 3.48Å; I185-K217 HydrophobicContact CG2-CG 4.32Å; I185-V219 HydrophobicContact CG2-CG2 3.64Å
186	R	97.8	Very high	98.3	Very high	71 Å²	71	38.4 Å²	38.4	27%	0.268	20%	0.204	S	C	.	.			trans	-115.8	162.7	180	-52.8	-178.7	-47.1	-139.4	13.3	111.8	H140 E164 S184 E188 T189	H140-R186 PolarHBondContact CD2-NH2 2.96Å; H140-R186 VanDerWaalsContact CD2-NH2 3.33Å; E164-R186 IonicContact OE1-CZ 3.43Å; E164-R186 VanDerWaalsContact OE1-CZ 3.25Å; E164-R186 IonicContact OE1-NH1 2.69Å; E164-R186 PolarHBondContact OE1-NH1 3.34Å; E164-R186 IonicContact OE1-NH2 3.75Å; E164-R186 PolarHBondContact OE1-NH2 3.3Å; E164-R186 IonicContact OE2-CZ 2.74Å; E164-R186 IonicContact OE2-NH1 3.63Å; E164-R186 IonicContact OE2-NH2 3.51Å; E164-R186 PolarHBondContact OE2-NH2 3.48Å; S184-R186 PolarHBondContact O-N 2.91Å; R186-E188 WeakPolarHBondContact CB-OE1 3.25Å; R186-E188 WeakPolarHBondContact CB-OE2 3.26Å; R186-E188 IonicContact CZ-OE1 3.23Å; R186-E188 VanDerWaalsContact CZ-OE1 3.3Å; R186-E188 IonicContact NE-OE1 3.55Å; R186-E188 PolarHBondContact NE-OE1 2.84Å; R186-E188 IonicContact NH2-OE1 2.77Å; R186-E188 PolarHBondContact NH2-OE1 3.4Å; R186-E188 PolarHBondContact O-N 3.38Å; R186-E188 VanDerWaalsContact O-N 3.13Å; R186-T189 PolarHBondContact N-OG1 3.3Å; R186-T189 WeakPolarHBondContact O-CB 3.41Å; R186-T189 PolarHBondContact O-N 3.21Å; R186-T189 PolarHBondContact O-OG1 3.25Å
187	P	96.6	Very high	98.4	Very high	122 Å²	122	38.1 Å²	38.1	79%	0.792	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-33	-177.4	-28.5	36.7	0	0	0	115.3	T189	P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 PolarHBondContact O-N 3.24Å
188	E	97.1	Very high	98.4	Very high	65 Å²	65	35.5 Å²	35.5	30%	0.304	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.9	179.2	70.7	-76.9	-179	0	0	114	K138 R139 H140 R186 S190	K138-E188 CarbonylContact C-O 3.53Å; K138-E188 VanDerWaalsContact C-O 3.31Å; K138-E188 WeakPolarHBondContact CA-O 3.44Å; K138-E188 VanDerWaalsContact CB-O 3.26Å; K138-E188 WeakPolarHBondContact CB-O 3.41Å; R139-E188 PolarHBondContact N-O 2.97Å; H140-E188 HydrophobicContact CB-CG 3.78Å; H140-E188 PolarHBondContact N-O 3.44Å; H140-E188 VanDerWaalsContact N-O 3.08Å; R186-E188 WeakPolarHBondContact CB-OE1 3.25Å; R186-E188 WeakPolarHBondContact CB-OE2 3.26Å; R186-E188 IonicContact CZ-OE1 3.23Å; R186-E188 VanDerWaalsContact CZ-OE1 3.3Å; R186-E188 IonicContact NE-OE1 3.55Å; R186-E188 PolarHBondContact NE-OE1 2.84Å; R186-E188 IonicContact NH2-OE1 2.77Å; R186-E188 PolarHBondContact NH2-OE1 3.4Å; R186-E188 PolarHBondContact O-N 3.38Å; R186-E188 VanDerWaalsContact O-N 3.13Å; E188-S190 PolarHBondContact O-N 3.07Å
189	T	98.6	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.3	178	-46.3	0	0	0	0	110.5	K138 H140 I142 R186 P187 V219	K138-T189 WeakPolarHBondContact CD-O 3.46Å; K138-T189 PolarHBondContact NZ-O 3.23Å; H140-T189 PolarHBondContact ND1-OG1 3.17Å; H140-T189 CarbonylContact O-C 3.56Å; H140-T189 WeakPolarHBondContact O-CA 3.46Å; I142-T189 HydrophobicContact CD1-CG2 3.84Å; I142-T189 HydrophobicContact CG1-CG2 3.97Å; R186-T189 PolarHBondContact N-OG1 3.3Å; R186-T189 WeakPolarHBondContact O-CB 3.41Å; R186-T189 PolarHBondContact O-N 3.21Å; R186-T189 PolarHBondContact O-OG1 3.25Å; P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 PolarHBondContact O-N 3.24Å; T189-V219 HydrophobicContact CG2-CG1 3.8Å; T189-V219 HydrophobicContact CG2-CG2 4.36Å
190	S	98	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-44	176.6	61.3	0	0	0	0	112.2	H140 E188 F220	H140-S190 PolarHBondContact O-N 3.14Å; H140-S190 PolarHBondContact O-OG 3.26Å; E188-S190 PolarHBondContact O-N 3.07Å; S190-F220 WeakPolarHBondContact O-CD2 3.23Å; S190-F220 PolarHBondContact O-N 2.9Å
191	L	98.8	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.6	-166.1	-174.8	68.6	0	0	0	111.2	I127 V130 V141 I142 F220 H222 L243	I127-L191 HydrophobicContact CB-CD2 4.23Å; I127-L191 HydrophobicContact CG1-CD2 4.02Å; I127-L191 HydrophobicContact CG2-CD2 4.41Å; V130-L191 HydrophobicContact CB-CD1 4.43Å; V130-L191 HydrophobicContact CB-CD2 4.4Å; V130-L191 HydrophobicContact CG1-CB 4.15Å; V130-L191 HydrophobicContact CG1-CD1 4.29Å; V130-L191 HydrophobicContact CG2-CD1 4.26Å; V141-L191 WeakPolarHBondContact CA-O 3.46Å; V141-L191 HydrophobicContact CG1-CB 4.33Å; V141-L191 HydrophobicContact CG1-CD2 4.5Å; V141-L191 HydrophobicContact CG2-CB 4.4Å; I142-L191 PolarHBondContact N-O 2.76Å; L191-F220 WeakPolarHBondContact CA-O 2.96Å; L191-F220 HydrophobicContact CD1-CB 3.92Å; L191-H222 HydrophobicContact CD1-CB 3.8Å; L191-H222 HydrophobicContact CD2-CB 4.41Å; L191-H222 HydrophobicContact CG-CB 4.42Å; L191-L243 HydrophobicContact CD1-CD1 4.3Å
192	V	98.9	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.6	159.5	171.7	0	0	0	0	107.2	I142 L181 I185 V194 I210 V219 F220 L221 H222	I142-V192 HydrophobicContact CB-CG2 4.13Å; I142-V192 HydrophobicContact CD1-CG2 4.3Å; I142-V192 CarbonylContact O-C 3.58Å; I142-V192 WeakPolarHBondContact O-CA 3.4Å; L181-V192 HydrophobicContact CD1-CG1 3.93Å; L181-V192 HydrophobicContact CD1-CG2 4.2Å; I185-V192 HydrophobicContact CD1-CG2 4.34Å; I185-V192 HydrophobicContact CG1-CG2 4.31Å; V192-V194 HydrophobicContact CG1-CG2 3.86Å; V192-I210 HydrophobicContact CG1-CG2 4.35Å; V192-V219 HydrophobicContact CG2-CG1 3.93Å; V192-F220 PolarHBondContact N-O 3.5Å; V192-L221 HydrophobicContact CB-CD1 4.41Å; V192-L221 HydrophobicContact CG1-CD1 4.11Å; V192-H222 PolarHBondContact O-N 2.94Å
193	S	98.9	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.4	174.5	-176.1	0	0	0	0	110	I142 T143 H222	I142-S193 PolarHBondContact O-N 3.14Å; T143-S193 WeakPolarHBondContact CA-O 3.5Å; T143-S193 PolarHBondContact OG1-O 2.96Å; S193-H222 WeakPolarHBondContact CA-O 3.43Å; S193-H222 PolarHBondContact OG-ND1 2.71Å
194	V	98.9	Very high	98.1	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.099	C	C	.	.			trans	-136.9	124.1	176.2	-177.7	0	0	0	0	108.7	T144 E147 L176 V192 Q205 I207 I210 H222 T223	T144-V194 HydrophobicContact CG2-CB 4.44Å; T144-V194 HydrophobicContact CG2-CG1 4.04Å; T144-V194 HydrophobicContact CG2-CG2 3.94Å; E147-V194 WeakPolarHBondContact OE1-CA 3.35Å; L176-V194 HydrophobicContact CD2-CG1 4.46Å; L176-V194 HydrophobicContact CD2-CG2 3.99Å; V192-V194 HydrophobicContact CG1-CG2 3.86Å; V194-Q205 HydrophobicContact CG1-CB 3.96Å; V194-Q205 HydrophobicContact CG1-CG 3.75Å; V194-I207 HydrophobicContact CB-CD1 4.39Å; V194-I207 HydrophobicContact CG1-CD1 4.2Å; V194-I210 HydrophobicContact CB-CD1 4.27Å; V194-I210 HydrophobicContact CG1-CD1 3.92Å; V194-I210 HydrophobicContact CG2-CD1 4.38Å; V194-H222 PolarHBondContact N-O 3.2Å; V194-H222 VanDerWaalsContact N-O 3.11Å; V194-T223 VanDerWaalsContact O-CA 3.25Å; V194-T223 WeakPolarHBondContact O-CA 3.38Å; V194-T223 WeakPolarHBondContact O-CB 3.47Å; V194-T223 PolarHBondContact O-OG1 3.25Å
195	M	98.8	Very high	98.1	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.02	9%	0.094	C	C	.	.			trans	-69.5	146.3	179.8	72.5	-171.9	-39.3	0	0	112.3	E147 H148 V197 N198 Q205 D224	E147-M195 WeakPolarHBondContact OE1-CB 3.18Å; E147-M195 WeakPolarHBondContact OE1-CG 3.38Å; E147-M195 PolarHBondContact OE1-N 3.11Å; E147-M195 PolarHBondContact OE2-N 3.47Å; H148-M195 HydrophobicContact CB-CE 4.37Å; M195-V197 WeakPolarHBondContact CE-O 3.41Å; M195-N198 HydrophobicContact SD-CB 4.07Å; M195-N198 PolarHBondContact SD-ND2 2.85Å; M195-Q205 WeakPolarHBondContact O-CG 3.37Å; M195-D224 CarbonylContact C-O 3.58Å; M195-D224 WeakPolarHBondContact CA-O 3.23Å; M195-D224 HydrophobicContact CB-CB 3.88Å
196	T	98.9	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.1	C	C	.	.	S	Bend	trans	-72.5	-46.8	-177.5	-47.9	0	0	0	0	112.3	K204 Q205 I207 T223 D224 A228 I232 W239	T196-K204 VanDerWaalsContact O-CA 3.3Å; T196-K204 WeakPolarHBondContact O-CA 3.05Å; T196-Q205 PolarHBondContact O-N 3.36Å; T196-I207 HydrophobicContact CG2-CG1 4.01Å; T196-T223 PolarHBondContact N-OG1 2.78Å; T196-T223 PolarHBondContact OG1-OG1 2.79Å; T196-D224 PolarHBondContact N-O 3.4Å; T196-A228 HydrophobicContact CG2-CB 3.47Å; T196-A228 VanDerWaalsContact CG2-CB 3.47Å; T196-I232 HydrophobicContact CG2-CD1 3.99Å; T196-W239 HydrophobicContact CG2-CH2 3.86Å; T196-W239 HydrophobicContact CG2-CZ3 3.8Å
197	V	98.8	Very high	98.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-134	124.8	179.3	169.7	0	0	0	0	108	M195 V203 K204 Q227 A228 I232	M195-V197 WeakPolarHBondContact CE-O 3.41Å; V197-V203 CarbonylContact C-O 3.31Å; V197-V203 WeakPolarHBondContact CA-O 3.26Å; V197-K204 HydrophobicContact CG2-CB 4.31Å; V197-K204 HydrophobicContact CG2-CG 4.28Å; V197-Q227 HydrophobicContact CB-CB 3.98Å; V197-Q227 HydrophobicContact CG1-CB 3.88Å; V197-A228 HydrophobicContact CB-CB 4.18Å; V197-A228 HydrophobicContact CG2-CB 3.77Å; V197-I232 HydrophobicContact CG2-CD1 4.2Å
198	N	98.6	Very high	98.2	Very high	6 Å²	6	14 Å²	14	3%	0.032	7%	0.069	C	C	.	.			trans	-68.6	135.8	178.3	-176.7	-84.7	0	0	0	111.6	T146 M195 E200 I201 G202 V203	T146-N198 PolarHBondContact O-ND2 3.5Å; M195-N198 HydrophobicContact SD-CB 4.07Å; M195-N198 PolarHBondContact SD-ND2 2.85Å; N198-E200 VanDerWaalsContact C-N 3.34Å; N198-E200 PolarHBondContact O-N 2.85Å; N198-E200 WeakPolarHBondContact OD1-CA 3.17Å; N198-E200 WeakPolarHBondContact OD1-CB 3.15Å; N198-E200 PolarHBondContact OD1-N 3.17Å; N198-I201 HydrophobicContact CB-CG1 4Å; N198-I201 WeakPolarHBondContact OD1-CG1 3.29Å; N198-I201 PolarHBondContact OD1-N 3.28Å; N198-G202 VanDerWaalsContact O-CA 3.26Å; N198-G202 WeakPolarHBondContact O-CA 3.2Å; N198-G202 PolarHBondContact O-N 3.5Å; N198-G202 VanDerWaalsContact O-N 3.08Å; N198-V203 PolarHBondContact N-O 3.04Å
199	N	97.1	Very high	98.3	Very high	7 Å²	7	15.2 Å²	15.2	4%	0.037	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14.7	-176.7	58	-85	0	0	0	115	Q227 R399	N199-Q227 HydrophobicContact CB-CG 3.8Å; N199-R399 WeakPolarHBondContact O-CD 3.44Å; N199-R399 PolarHBondContact O-NH1 3.3Å
200	E	95.8	Very high	98.3	Very high	7 Å²	7	15.2 Å²	15.2	3%	0.033	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-47.1	-179.2	-65.4	-169.5	-140.3	0	0	112.7	N198 N347 S381 V383 R399	N198-E200 VanDerWaalsContact C-N 3.34Å; N198-E200 PolarHBondContact O-N 2.85Å; N198-E200 WeakPolarHBondContact OD1-CA 3.17Å; N198-E200 WeakPolarHBondContact OD1-CB 3.15Å; N198-E200 PolarHBondContact OD1-N 3.17Å; E200-N347 WeakPolarHBondContact O-CB 3.4Å; E200-N347 PolarHBondContact O-ND2 2.96Å; E200-S381 WeakPolarHBondContact OE2-CB 3.43Å; E200-S381 PolarHBondContact OE2-OG 3.1Å; E200-V383 HydrophobicContact CB-CB 4.45Å; E200-V383 HydrophobicContact CB-CG1 4.36Å; E200-V383 HydrophobicContact CG-CG2 4.28Å; E200-V383 VanDerWaalsContact OE1-CG2 3.29Å; E200-V383 WeakPolarHBondContact OE1-CG2 3.28Å; E200-R399 WeakPolarHBondContact O-CD 3.27Å
201	I	97.1	Very high	98.4	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-5.1	-174.3	60.7	171.2	0	0	0	113.5	N198 V203 N335 N347 V383 L384 I387	N198-I201 HydrophobicContact CB-CG1 4Å; N198-I201 WeakPolarHBondContact OD1-CG1 3.29Å; N198-I201 PolarHBondContact OD1-N 3.28Å; I201-V203 HydrophobicContact CB-CG2 4.43Å; I201-V203 HydrophobicContact CD1-CB 4.12Å; I201-V203 HydrophobicContact CD1-CG2 3.51Å; I201-V203 HydrophobicContact CG1-CB 4.16Å; I201-V203 HydrophobicContact CG1-CG2 3.75Å; I201-V203 PolarHBondContact O-N 3.28Å; I201-V203 VanDerWaalsContact O-N 3.1Å; I201-N335 HydrophobicContact CG2-CB 3.89Å; I201-N347 HydrophobicContact CG2-CB 4.13Å; I201-V383 HydrophobicContact CD1-CG1 4.15Å; I201-V383 HydrophobicContact CG1-CG1 4.21Å; I201-V383 HydrophobicContact CG2-CG1 4.26Å; I201-L384 HydrophobicContact CG2-CD2 3.77Å; I201-I387 HydrophobicContact CD1-CG2 4.25Å
202	G	97.7	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.			trans	74.1	-2.1	174.6	0	0	0	0	0	115.5	N198 K204 R341 Y342 C345	N198-G202 VanDerWaalsContact O-CA 3.26Å; N198-G202 WeakPolarHBondContact O-CA 3.2Å; N198-G202 PolarHBondContact O-N 3.5Å; N198-G202 VanDerWaalsContact O-N 3.08Å; G202-K204 PolarHBondContact O-N 3.43Å; G202-R341 CarbonylContact O-C 3.51Å; G202-R341 VanDerWaalsContact O-CA 3.3Å; G202-R341 WeakPolarHBondContact O-CA 3.23Å; G202-Y342 PolarHBondContact O-N 2.95Å; G202-C345 PolarHBondContact N-SG 2.8Å
203	V	98.5	Very high	98.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-56.1	133.7	179	174.3	0	0	0	0	110.9	N173 L175 V197 N198 I201 G336 D337 Q340	N173-V203 WeakPolarHBondContact O-CG2 3.32Å; L175-V203 HydrophobicContact CD2-CG1 3.61Å; L175-V203 HydrophobicContact CG-CG1 4.2Å; V197-V203 CarbonylContact C-O 3.31Å; V197-V203 WeakPolarHBondContact CA-O 3.26Å; N198-V203 PolarHBondContact N-O 3.04Å; I201-V203 HydrophobicContact CB-CG2 4.43Å; I201-V203 HydrophobicContact CD1-CB 4.12Å; I201-V203 HydrophobicContact CD1-CG2 3.51Å; I201-V203 HydrophobicContact CG1-CB 4.16Å; I201-V203 HydrophobicContact CG1-CG2 3.75Å; I201-V203 PolarHBondContact O-N 3.28Å; I201-V203 VanDerWaalsContact O-N 3.1Å; V203-G336 VanDerWaalsContact CG2-CA 3.49Å; V203-D337 HydrophobicContact CG2-CB 4.5Å; V203-Q340 WeakPolarHBondContact CA-O 3.47Å
204	K	98.6	Very high	98.3	Very high	71 Å²	71	20.9 Å²	20.9	31%	0.309	10%	0.101	S	C	.	.	B	Isolated β-bridge	trans	-102.7	115.1	-179.5	-177.8	-170.4	68.7	-173.4	0	109.1	L175 T196 V197 G202 I232 Q340	L175-K204 WeakPolarHBondContact CD2-O 3.38Å; T196-K204 VanDerWaalsContact O-CA 3.3Å; T196-K204 WeakPolarHBondContact O-CA 3.05Å; V197-K204 HydrophobicContact CG2-CB 4.31Å; V197-K204 HydrophobicContact CG2-CG 4.28Å; G202-K204 PolarHBondContact O-N 3.43Å; K204-I232 HydrophobicContact CD-CD1 3.94Å; K204-I232 HydrophobicContact CG-CD1 4.26Å; K204-Q340 VanDerWaalsContact CE-OE1 3.24Å; K204-Q340 PolarHBondContact N-O 2.54Å
205	Q	98.8	Very high	98.3	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.047	11%	0.114	C	C	.	.			trans	-75.3	150	178.3	-64.1	-67.2	-0	0	0	111.2	G174 V194 M195 T196 I207 I210	G174-Q205 PolarHBondContact O-NE2 2.92Å; V194-Q205 HydrophobicContact CG1-CB 3.96Å; V194-Q205 HydrophobicContact CG1-CG 3.75Å; M195-Q205 WeakPolarHBondContact O-CG 3.37Å; T196-Q205 PolarHBondContact O-N 3.36Å; Q205-I207 HydrophobicContact CB-CD1 3.93Å; Q205-I207 HydrophobicContact CB-CG1 4.47Å; Q205-I207 PolarHBondContact O-N 2.95Å; Q205-I210 HydrophobicContact CB-CD1 4.41Å
206	P	98.3	Very high	98.2	Very high	35 Å²	35	28.5 Å²	28.5	23%	0.227	14%	0.144	C	C	.	.			trans	-75.6	71.6	176.9	32.3	-36.6	0	0	0	111.4	L178 E208 E209 I210	L178-P206 HydrophobicContact CD1-CG 4.24Å; L178-P206 HydrophobicContact CD2-CG 4.04Å; L178-P206 HydrophobicContact CG-CG 4.39Å; P206-E208 VanDerWaalsContact C-N 3.28Å; P206-E208 PolarHBondContact O-N 2.82Å; P206-E209 WeakPolarHBondContact CA-OE2 3.22Å; P206-E209 HydrophobicContact CB-CB 4.34Å; P206-E209 HydrophobicContact CB-CG 4.44Å; P206-E209 WeakPolarHBondContact CB-OE2 3.18Å; P206-E209 PolarHBondContact O-N 3.39Å; P206-I210 HydrophobicContact CG-CD1 4.4Å; P206-I210 WeakPolarHBondContact O-CD1 3.35Å; P206-I210 VanDerWaalsContact O-CG1 3.24Å; P206-I210 WeakPolarHBondContact O-CG1 3.26Å; P206-I210 PolarHBondContact O-N 3.04Å
207	I	98.7	Very high	98.2	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-31	-172.3	-61.2	-57.5	0	0	0	112.5	V194 T196 Q205 I210 G211 L221 T223 W239 V241	V194-I207 HydrophobicContact CB-CD1 4.39Å; V194-I207 HydrophobicContact CG1-CD1 4.2Å; T196-I207 HydrophobicContact CG2-CG1 4.01Å; Q205-I207 HydrophobicContact CB-CD1 3.93Å; Q205-I207 HydrophobicContact CB-CG1 4.47Å; Q205-I207 PolarHBondContact O-N 2.95Å; I207-I210 HydrophobicContact CD1-CD1 4.23Å; I207-G211 PolarHBondContact O-N 2.79Å; I207-L221 HydrophobicContact CG2-CD2 4.22Å; I207-T223 HydrophobicContact CG2-CG2 4.46Å; I207-W239 HydrophobicContact CB-CD2 4.44Å; I207-W239 HydrophobicContact CB-CE3 4.04Å; I207-W239 HydrophobicContact CB-CZ3 4.32Å; I207-W239 HydrophobicContact CG2-CB 4.3Å; I207-W239 HydrophobicContact CG2-CD2 4.22Å; I207-W239 HydrophobicContact CG2-CE3 3.65Å; I207-W239 HydrophobicContact CG2-CZ3 4.25Å; I207-V241 HydrophobicContact CG2-CG2 3.74Å
208	E	98.4	Very high	98.1	Very high	79 Å²	79	34.7 Å²	34.7	37%	0.369	19%	0.185	S	C	.	.	H	α-helix	trans	-65	-47.6	178.3	-175.4	173.5	172.3	0	0	111.3	P206 G211 Q212 W239	P206-E208 VanDerWaalsContact C-N 3.28Å; P206-E208 PolarHBondContact O-N 2.82Å; E208-G211 PolarHBondContact O-N 2.95Å; E208-Q212 WeakPolarHBondContact O-CG 3.39Å; E208-Q212 PolarHBondContact O-N 3.4Å; E208-W239 HydrophobicContact CB-CG 4.35Å
209	E	98.6	Very high	98.1	Very high	89 Å²	89	34.6 Å²	34.6	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-64.2	-44.2	177.3	-63	84.9	164.8	0	0	111	L178 P206 G211 Q212 I213	L178-E209 HydrophobicContact CD1-CB 3.79Å; L178-E209 HydrophobicContact CD1-CG 4.44Å; P206-E209 WeakPolarHBondContact CA-OE2 3.22Å; P206-E209 HydrophobicContact CB-CB 4.34Å; P206-E209 HydrophobicContact CB-CG 4.44Å; P206-E209 WeakPolarHBondContact CB-OE2 3.18Å; P206-E209 PolarHBondContact O-N 3.39Å; E209-G211 VanDerWaalsContact C-N 3.27Å; E209-G211 PolarHBondContact O-N 2.91Å; E209-Q212 WeakPolarHBondContact O-CB 3.16Å; E209-Q212 PolarHBondContact O-N 3.07Å; E209-I213 WeakPolarHBondContact O-CG1 3.29Å; E209-I213 PolarHBondContact O-N 2.83Å
210	I	98.8	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-42.3	173.5	-68.2	166.6	0	0	0	110.5	L176 L178 L181 V192 V194 Q205 P206 I207 I213 C214 L221	L176-I210 HydrophobicContact CD2-CD1 4.2Å; L178-I210 HydrophobicContact CD2-CD1 4.26Å; L178-I210 HydrophobicContact CD2-CG1 3.54Å; L181-I210 HydrophobicContact CD2-CB 4.29Å; L181-I210 HydrophobicContact CD2-CG1 3.86Å; L181-I210 HydrophobicContact CD2-CG2 3.89Å; V192-I210 HydrophobicContact CG1-CG2 4.35Å; V194-I210 HydrophobicContact CB-CD1 4.27Å; V194-I210 HydrophobicContact CG1-CD1 3.92Å; V194-I210 HydrophobicContact CG2-CD1 4.38Å; Q205-I210 HydrophobicContact CB-CD1 4.41Å; P206-I210 HydrophobicContact CG-CD1 4.4Å; P206-I210 WeakPolarHBondContact O-CD1 3.35Å; P206-I210 VanDerWaalsContact O-CG1 3.24Å; P206-I210 WeakPolarHBondContact O-CG1 3.26Å; P206-I210 PolarHBondContact O-N 3.04Å; I207-I210 HydrophobicContact CD1-CD1 4.23Å; I210-I213 PolarHBondContact O-N 2.8Å; I210-C214 WeakPolarHBondContact O-CB 3.25Å; I210-C214 PolarHBondContact O-N 3.24Å; I210-C214 PolarHBondContact O-SG 3.4Å; I210-L221 HydrophobicContact CG2-CD1 3.66Å; I210-L221 HydrophobicContact CG2-CD2 4.07Å
211	G	98.7	Very high	98.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-37.6	176.8	0	0	0	0	0	113.6	I207 E208 E209 R215 L221 W239	I207-G211 PolarHBondContact O-N 2.79Å; E208-G211 PolarHBondContact O-N 2.95Å; E209-G211 VanDerWaalsContact C-N 3.27Å; E209-G211 PolarHBondContact O-N 2.91Å; G211-R215 WeakPolarHBondContact O-CB 3.17Å; G211-R215 PolarHBondContact O-N 3.42Å; G211-L221 VanDerWaalsContact CA-CD2 3.48Å; G211-W239 WeakPolarHBondContact CA-O 2.98Å
212	Q	98.6	Very high	98.4	Very high	96 Å²	96	35.3 Å²	35.3	45%	0.449	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-46.6	172.9	-68.2	176.8	21.2	0	0	111.4	E208 E209 R215 S216 K240	E208-Q212 WeakPolarHBondContact O-CG 3.39Å; E208-Q212 PolarHBondContact O-N 3.4Å; E209-Q212 WeakPolarHBondContact O-CB 3.16Å; E209-Q212 PolarHBondContact O-N 3.07Å; Q212-R215 PolarHBondContact O-N 2.8Å; Q212-S216 WeakPolarHBondContact O-CB 3.41Å; Q212-S216 PolarHBondContact O-N 2.8Å; Q212-K240 HydrophobicContact CG-CD 4.12Å
213	I	98.7	Very high	98.4	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.108	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-53.3	176.4	-65.3	166.2	0	0	0	110.2	L178 E182 I185 E209 I210 R215 S216 K217	L178-I213 HydrophobicContact CB-CD1 4.12Å; L178-I213 HydrophobicContact CD2-CD1 4.33Å; E182-I213 HydrophobicContact CB-CG2 4.12Å; E182-I213 HydrophobicContact CG-CG2 4.16Å; I185-I213 HydrophobicContact CD1-CG2 3.75Å; E209-I213 WeakPolarHBondContact O-CG1 3.29Å; E209-I213 PolarHBondContact O-N 2.83Å; I210-I213 PolarHBondContact O-N 2.8Å; I213-R215 VanDerWaalsContact C-N 3.34Å; I213-R215 PolarHBondContact O-N 2.77Å; I213-S216 PolarHBondContact O-N 3.5Å; I213-S216 PolarHBondContact O-OG 3.16Å; I213-K217 PolarHBondContact O-N 3.35Å
214	C	98.6	Very high	98.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-58.7	-44.7	-178.8	-66.7	0	0	0	0	112	I210 S216 K217 G218 V219 L221	I210-C214 WeakPolarHBondContact O-CB 3.25Å; I210-C214 PolarHBondContact O-N 3.24Å; I210-C214 PolarHBondContact O-SG 3.4Å; C214-S216 PolarHBondContact O-N 2.96Å; C214-K217 CarbonylContact O-C 3.43Å; C214-K217 PolarHBondContact O-N 2.78Å; C214-G218 PolarHBondContact O-N 3.3Å; C214-G218 VanDerWaalsContact O-N 3.09Å; C214-V219 CarbonylContact C-O 3.43Å; C214-V219 PolarHBondContact O-N 2.74Å; C214-L221 HydrophobicContact CB-CB 4.16Å
215	R	97.8	Very high	98.5	Very high	73 Å²	73	32.3 Å²	32.3	28%	0.275	18%	0.175	S	C	.	.	H	α-helix	trans	-62.6	-43.7	178.7	-175.2	65.8	62.7	-164.4	-3.3	111.8	G211 Q212 I213 K217 G218 K240 D242	G211-R215 WeakPolarHBondContact O-CB 3.17Å; G211-R215 PolarHBondContact O-N 3.42Å; Q212-R215 PolarHBondContact O-N 2.8Å; I213-R215 VanDerWaalsContact C-N 3.34Å; I213-R215 PolarHBondContact O-N 2.77Å; R215-K217 PolarHBondContact O-N 3.43Å; R215-G218 PolarHBondContact O-N 2.93Å; R215-K240 HydrophobicContact CB-CB 4.48Å; R215-K240 HydrophobicContact CB-CD 3.91Å; R215-K240 HydrophobicContact CG-CD 4.14Å; R215-K240 PolarHBondContact NH2-O 3.43Å; R215-D242 IonicContact CZ-OD1 3.48Å; R215-D242 IonicContact NH1-OD1 3.35Å; R215-D242 PolarHBondContact NH1-OD1 2.81Å; R215-D242 IonicContact NH2-OD1 3Å; R215-D242 PolarHBondContact NH2-OD1 2.72Å; R215-D242 IonicContact NH2-OD2 3.3Å
216	S	97.8	Very high	98.5	Very high	92 Å²	92	32.1 Å²	32.1	64%	0.643	18%	0.175	S	C	*	.	H	α-helix	trans	-61.9	-30	179.9	76.9	0	0	0	0	112.5	Q212 I213 C214	Q212-S216 WeakPolarHBondContact O-CB 3.41Å; Q212-S216 PolarHBondContact O-N 2.8Å; I213-S216 PolarHBondContact O-N 3.5Å; I213-S216 PolarHBondContact O-OG 3.16Å; C214-S216 PolarHBondContact O-N 2.96Å
217	K	97.8	Very high	98.5	Very high	80 Å²	80	30.8 Å²	30.8	35%	0.348	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	2.2	-179.9	-61	-165.6	174.5	-162.7	0	114.5	E182 I185 I213 C214 R215 V219	E182-K217 PolarHBondContact O-NZ 2.65Å; E182-K217 IonicContact OE1-NZ 3.87Å; I185-K217 HydrophobicContact CB-CD 3.73Å; I185-K217 HydrophobicContact CD1-CD 3.93Å; I185-K217 HydrophobicContact CG1-CD 4.44Å; I185-K217 HydrophobicContact CG2-CB 3.91Å; I185-K217 HydrophobicContact CG2-CD 3.48Å; I185-K217 VanDerWaalsContact CG2-CD 3.48Å; I185-K217 HydrophobicContact CG2-CG 4.32Å; I213-K217 PolarHBondContact O-N 3.35Å; C214-K217 CarbonylContact O-C 3.43Å; C214-K217 PolarHBondContact O-N 2.78Å; R215-K217 PolarHBondContact O-N 3.43Å; K217-V219 VanDerWaalsContact C-N 3.3Å; K217-V219 HydrophobicContact CB-CG2 4.24Å; K217-V219 PolarHBondContact O-N 2.98Å
218	G	96.8	Very high	98.5	Very high	53 Å²	53	30.6 Å²	30.6	55%	0.546	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	34.7	-179.2	0	0	0	0	0	113.7	K138 C214 R215	K138-G218 PolarHBondContact NZ-O 3.27Å; C214-G218 PolarHBondContact O-N 3.3Å; C214-G218 VanDerWaalsContact O-N 3.09Å; R215-G218 PolarHBondContact O-N 2.93Å
219	V	98.3	Very high	98.5	Very high	4 Å²	4	27 Å²	27	2%	0.024	15%	0.148	C	C	.	.			trans	-108.5	142.7	176.2	-177.6	0	0	0	0	109.1	I185 T189 V192 C214 K217	I185-V219 HydrophobicContact CG2-CG2 3.64Å; T189-V219 HydrophobicContact CG2-CG1 3.8Å; T189-V219 HydrophobicContact CG2-CG2 4.36Å; V192-V219 HydrophobicContact CG2-CG1 3.93Å; C214-V219 CarbonylContact C-O 3.43Å; C214-V219 PolarHBondContact O-N 2.74Å; K217-V219 VanDerWaalsContact C-N 3.3Å; K217-V219 HydrophobicContact CB-CG2 4.24Å; K217-V219 PolarHBondContact O-N 2.98Å
220	F	98.8	Very high	98.4	Very high	32 Å²	32	23 Å²	23	14%	0.14	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.9	177.5	-63	-62.1	0	0	0	111	V130 Y134 S190 L191 V192 D242 L243 V268	V130-F220 HydrophobicContact CG1-CD2 3.75Å; V130-F220 HydrophobicContact CG1-CE2 4.47Å; Y134-F220 HydrophobicContact CD1-CE2 4.46Å; Y134-F220 HydrophobicContact CD2-CD2 4.45Å; Y134-F220 AromaticContact CD2-CE2 3.84Å; Y134-F220 HydrophobicContact CD2-CE2 3.84Å; Y134-F220 HydrophobicContact CE1-CE2 4.04Å; Y134-F220 HydrophobicContact CE1-CZ 4.3Å; Y134-F220 HydrophobicContact CE2-CD2 4.2Å; Y134-F220 AromaticContact CE2-CE2 3.36Å; Y134-F220 HydrophobicContact CE2-CE2 3.36Å; Y134-F220 AromaticContact CE2-CZ 3.95Å; Y134-F220 HydrophobicContact CE2-CZ 3.95Å; Y134-F220 HydrophobicContact CG-CE2 4.38Å; Y134-F220 AromaticContact CZ-CE2 3.47Å; Y134-F220 VanDerWaalsContact CZ-CE2 3.47Å; Y134-F220 AromaticContact CZ-CZ 3.66Å; Y134-F220 WeakPolarHBondContact OH-CZ 3.41Å; S190-F220 WeakPolarHBondContact O-CD2 3.23Å; S190-F220 PolarHBondContact O-N 2.9Å; L191-F220 WeakPolarHBondContact CA-O 2.96Å; L191-F220 HydrophobicContact CD1-CB 3.92Å; V192-F220 PolarHBondContact N-O 3.5Å; F220-D242 VanDerWaalsContact CA-OD2 3.31Å; F220-D242 WeakPolarHBondContact CA-OD2 3.27Å; F220-D242 HydrophobicContact CB-CB 4.22Å; F220-D242 HydrophobicContact CD1-CB 4.02Å; F220-L243 HydrophobicContact CB-CD1 4.49Å; F220-V268 HydrophobicContact CD1-CG1 4.46Å; F220-V268 HydrophobicContact CD1-CG2 3.96Å; F220-V268 HydrophobicContact CE1-CB 4.49Å; F220-V268 HydrophobicContact CE1-CG1 4.48Å; F220-V268 HydrophobicContact CE1-CG2 3.9Å
221	L	98.9	Very high	98.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.5	171	177.4	60	0	0	0	111.1	V192 I207 I210 G211 C214 V241 D242 L243	V192-L221 HydrophobicContact CB-CD1 4.41Å; V192-L221 HydrophobicContact CG1-CD1 4.11Å; I207-L221 HydrophobicContact CG2-CD2 4.22Å; I210-L221 HydrophobicContact CG2-CD1 3.66Å; I210-L221 HydrophobicContact CG2-CD2 4.07Å; G211-L221 VanDerWaalsContact CA-CD2 3.48Å; C214-L221 HydrophobicContact CB-CB 4.16Å; L221-V241 HydrophobicContact CD2-CG2 3.96Å; L221-D242 PolarHBondContact N-OD2 3.47Å; L221-D242 WeakPolarHBondContact O-CA 3.39Å; L221-D242 WeakPolarHBondContact O-CB 3.39Å; L221-D242 PolarHBondContact O-N 3.05Å; L221-L243 PolarHBondContact O-N 3.43Å
222	H	98.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.6	161.5	167.4	-105.3	0	0	0	110.1	N123 A126 L191 V192 S193 V194 L243 S245	N123-H222 PolarHBondContact OD1-CE1 2.96Å; N123-H222 PolarHBondContact OD1-NE2 3.19Å; N123-H222 VanDerWaalsContact OD1-NE2 3.17Å; A126-H222 WeakPolarHBondContact CB-CD2 3.17Å; L191-H222 HydrophobicContact CD1-CB 3.8Å; L191-H222 HydrophobicContact CD2-CB 4.41Å; L191-H222 HydrophobicContact CG-CB 4.42Å; V192-H222 PolarHBondContact O-N 2.94Å; S193-H222 WeakPolarHBondContact CA-O 3.43Å; S193-H222 PolarHBondContact OG-ND1 2.71Å; V194-H222 PolarHBondContact N-O 3.2Å; V194-H222 VanDerWaalsContact N-O 3.11Å; H222-L243 CarbonylContact C-O 3.6Å; H222-L243 WeakPolarHBondContact CA-O 3.32Å; H222-L243 HydrophobicContact CB-CB 4.11Å; H222-S245 PolarHBondContact NE2-OG 3.27Å
223	T	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.1	170.4	-178.5	0	0	0	0	111.4	V194 T196 I207 A225 V241 L243 M244 S245	V194-T223 VanDerWaalsContact O-CA 3.25Å; V194-T223 WeakPolarHBondContact O-CA 3.38Å; V194-T223 WeakPolarHBondContact O-CB 3.47Å; V194-T223 PolarHBondContact O-OG1 3.25Å; T196-T223 PolarHBondContact N-OG1 2.78Å; T196-T223 PolarHBondContact OG1-OG1 2.79Å; I207-T223 HydrophobicContact CG2-CG2 4.46Å; T223-A225 PolarHBondContact O-N 2.91Å; T223-V241 HydrophobicContact CG2-CB 4.46Å; T223-V241 HydrophobicContact CG2-CG1 3.69Å; T223-V241 HydrophobicContact CG2-CG2 3.86Å; T223-L243 PolarHBondContact N-O 3.02Å; T223-M244 HydrophobicContact CG2-CB 4.01Å; T223-M244 HydrophobicContact CG2-CE 3.61Å; T223-M244 HydrophobicContact CG2-CG 3.96Å; T223-M244 WeakPolarHBondContact O-CA 3.4Å; T223-S245 PolarHBondContact O-N 3.36Å; T223-S245 VanDerWaalsContact O-N 3.08Å
224	D	98.9	Very high	98.3	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	107.8	166.4	-175.1	-9.5	0	0	0	109.1	N123 M195 T196 A226	N123-D224 PolarHBondContact ND2-OD2 2.77Å; M195-D224 CarbonylContact C-O 3.58Å; M195-D224 WeakPolarHBondContact CA-O 3.23Å; M195-D224 HydrophobicContact CB-CB 3.88Å; T196-D224 PolarHBondContact N-O 3.4Å; D224-A226 WeakPolarHBondContact OD1-CB 3.3Å; D224-A226 PolarHBondContact OD1-N 3.47Å
225	A	98.8	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.155	C	C	.	.			trans	-107.6	17.4	-178.4	0	0	0	0	0	112.3	T223 Q227 A228 V229 I234 M244 S245	T223-A225 PolarHBondContact O-N 2.91Å; A225-Q227 PolarHBondContact O-N 2.92Å; A225-Q227 VanDerWaalsContact O-N 3.14Å; A225-A228 HydrophobicContact CB-CB 4.3Å; A225-A228 PolarHBondContact O-N 2.92Å; A225-V229 HydrophobicContact CB-CG2 3.76Å; A225-V229 WeakPolarHBondContact O-CG2 3.46Å; A225-V229 PolarHBondContact O-N 2.89Å; A225-I234 HydrophobicContact CB-CD1 4.4Å; A225-M244 HydrophobicContact CB-CE 4.3Å; A225-M244 HydrophobicContact CB-CG 3.51Å; A225-M244 HydrophobicContact CB-SD 3.76Å; A225-S245 CarbonylContact C-O 3.57Å; A225-S245 WeakPolarHBondContact CA-O 3.41Å; A225-S245 PolarHBondContact N-O 3.48Å; A225-S245 VanDerWaalsContact N-O 3.07Å
226	A	98.6	Very high	98.3	Very high	6 Å²	6	22.4 Å²	22.4	5%	0.05	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.5	-178.1	0	0	0	0	0	113.1	A119 D224 S245 K250	A119-A226 HydrophobicContact CB-CB 3.74Å; D224-A226 WeakPolarHBondContact OD1-CB 3.3Å; D224-A226 PolarHBondContact OD1-N 3.47Å; A226-S245 PolarHBondContact N-O 3.29Å; A226-K250 WeakPolarHBondContact O-CB 3.48Å
227	Q	98.6	Very high	98.2	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.033	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.2	176.4	-63.5	-67.6	8.5	0	0	113.9	Q56 V197 N199 A225 K231 K250	Q56-Q227 PolarHBondContact O-NE2 2.86Å; V197-Q227 HydrophobicContact CB-CB 3.98Å; V197-Q227 HydrophobicContact CG1-CB 3.88Å; N199-Q227 HydrophobicContact CB-CG 3.8Å; A225-Q227 PolarHBondContact O-N 2.92Å; A225-Q227 VanDerWaalsContact O-N 3.14Å; Q227-K231 VanDerWaalsContact O-CD 3.29Å; Q227-K231 WeakPolarHBondContact O-CD 3.3Å; Q227-K231 PolarHBondContact O-NZ 3.22Å; Q227-K250 VanDerWaalsContact NE2-NZ 3.14Å
228	A	98.7	Very high	98.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-41.4	-173.5	0	0	0	0	0	113.5	T196 V197 A225 G230 K231 I232 I234	T196-A228 HydrophobicContact CG2-CB 3.47Å; T196-A228 VanDerWaalsContact CG2-CB 3.47Å; V197-A228 HydrophobicContact CB-CB 4.18Å; V197-A228 HydrophobicContact CG2-CB 3.77Å; A225-A228 HydrophobicContact CB-CB 4.3Å; A225-A228 PolarHBondContact O-N 2.92Å; A228-G230 PolarHBondContact O-N 3.36Å; A228-K231 PolarHBondContact O-N 2.97Å; A228-I232 HydrophobicContact CB-CD1 4Å; A228-I232 HydrophobicContact CB-CG1 4.07Å; A228-I232 PolarHBondContact O-N 3.09Å; A228-I234 HydrophobicContact CB-CD1 4.05Å
229	V	98.6	Very high	98.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	136.2	-179.1	174.3	0	0	0	0	109.9	L105 I106 A225 K231 I234 M244 I246 I251	L105-V229 HydrophobicContact CD2-CG1 3.45Å; L105-V229 VanDerWaalsContact CD2-CG1 3.45Å; L105-V229 HydrophobicContact CG-CG1 4.33Å; I106-V229 HydrophobicContact CG2-CG2 4.4Å; A225-V229 HydrophobicContact CB-CG2 3.76Å; A225-V229 WeakPolarHBondContact O-CG2 3.46Å; A225-V229 PolarHBondContact O-N 2.89Å; V229-K231 PolarHBondContact O-N 2.79Å; V229-K231 PolarHBondContact O-NZ 2.94Å; V229-I234 HydrophobicContact CB-CD1 4.41Å; V229-I234 HydrophobicContact CG2-CD1 3.8Å; V229-M244 HydrophobicContact CG2-SD 4.4Å; V229-I246 HydrophobicContact CB-CG2 4.39Å; V229-I246 HydrophobicContact CG1-CG2 4.08Å; V229-I246 HydrophobicContact CG2-CD1 4.45Å; V229-I246 HydrophobicContact CG2-CG1 4.13Å; V229-I246 HydrophobicContact CG2-CG2 4.29Å; V229-I251 HydrophobicContact CG1-CD1 4.41Å; V229-I251 WeakPolarHBondContact O-CG2 3.48Å
230	G	97.9	Very high	98.2	Very high	6 Å²	6	24.9 Å²	24.9	6%	0.062	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-1.7	179.4	0	0	0	0	0	115.4	A228	A228-G230 PolarHBondContact O-N 3.36Å
231	K	98.5	Very high	98.2	Very high	17 Å²	17	23.3 Å²	23.3	7%	0.074	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-29.8	-175.4	-58.4	-176.3	-159.4	62.3	0	113.6	Q227 A228 V229 K250 H311 Y342	Q227-K231 VanDerWaalsContact O-CD 3.29Å; Q227-K231 WeakPolarHBondContact O-CD 3.3Å; Q227-K231 PolarHBondContact O-NZ 3.22Å; A228-K231 PolarHBondContact O-N 2.97Å; V229-K231 PolarHBondContact O-N 2.79Å; V229-K231 PolarHBondContact O-NZ 2.94Å; K231-K250 VanDerWaalsContact CE-O 3.25Å; K231-K250 WeakPolarHBondContact CE-O 3.22Å; K231-K250 PolarHBondContact NZ-O 3.23Å; K231-H311 PolarHBondContact O-ND1 3.3Å; K231-Y342 HydrophobicContact CB-CD2 4.07Å; K231-Y342 HydrophobicContact CB-CE2 3.63Å; K231-Y342 HydrophobicContact CD-CD1 4.41Å; K231-Y342 HydrophobicContact CD-CD2 4.48Å; K231-Y342 HydrophobicContact CD-CE1 3.77Å; K231-Y342 HydrophobicContact CD-CE2 3.89Å; K231-Y342 VanDerWaalsContact CD-CZ 3.5Å; K231-Y342 HydrophobicContact CG-CE2 4.19Å
232	I	98.3	Very high	98.2	Very high	12 Å²	12	23.4 Å²	23.4	6%	0.062	13%	0.133	C	C	.	.	S	Bend	trans	-129.9	154.9	172.2	64	172.2	0	0	0	109.5	T196 V197 K204 A228 I234 W239 Y342	T196-I232 HydrophobicContact CG2-CD1 3.99Å; V197-I232 HydrophobicContact CG2-CD1 4.2Å; K204-I232 HydrophobicContact CD-CD1 3.94Å; K204-I232 HydrophobicContact CG-CD1 4.26Å; A228-I232 HydrophobicContact CB-CD1 4Å; A228-I232 HydrophobicContact CB-CG1 4.07Å; A228-I232 PolarHBondContact O-N 3.09Å; I232-I234 HydrophobicContact CG1-CG1 4.25Å; I232-I234 PolarHBondContact O-N 3.38Å; I232-W239 HydrophobicContact CD1-CH2 4.32Å; I232-Y342 HydrophobicContact CG2-CD2 4.45Å
233	P	97.9	Very high	98.2	Very high	104 Å²	104	23.4 Å²	23.4	68%	0.675	13%	0.133	S	C	*	.			trans	-59.8	135.2	172.8	-23.5	34.5	0	0	0	111	W239 M307	P233-W239 WeakPolarHBondContact O-CZ2 3.39Å; P233-M307 HydrophobicContact CG-SD 4.39Å
234	I	97.6	Very high	98.2	Very high	18 Å²	18	23.4 Å²	23.4	9%	0.092	13%	0.133	C	C	.	.			trans	-133.7	132.4	179.2	-62	-170.8	0	0	0	108.8	I106 A225 A228 V229 I232 W239 M244	I106-I234 HydrophobicContact CB-CG2 4.16Å; I106-I234 HydrophobicContact CG2-CG2 4.19Å; A225-I234 HydrophobicContact CB-CD1 4.4Å; A228-I234 HydrophobicContact CB-CD1 4.05Å; V229-I234 HydrophobicContact CB-CD1 4.41Å; V229-I234 HydrophobicContact CG2-CD1 3.8Å; I232-I234 HydrophobicContact CG1-CG1 4.25Å; I232-I234 PolarHBondContact O-N 3.38Å; I234-W239 HydrophobicContact CB-CH2 4.13Å; I234-W239 HydrophobicContact CB-CZ3 4.3Å; I234-W239 HydrophobicContact CD1-CH2 4.26Å; I234-W239 HydrophobicContact CD1-CZ3 4.28Å; I234-W239 HydrophobicContact CG1-CH2 3.61Å; I234-W239 HydrophobicContact CG1-CZ2 4.32Å; I234-W239 HydrophobicContact CG1-CZ3 3.97Å; I234-W239 HydrophobicContact CG2-CE3 4.12Å; I234-W239 HydrophobicContact CG2-CH2 4.17Å; I234-W239 HydrophobicContact CG2-CZ3 3.83Å; I234-M244 HydrophobicContact CG2-CE 3.56Å; I234-M244 HydrophobicContact CG2-SD 3.98Å
235	S	97.3	Very high	98.2	Very high	25 Å²	25	23 Å²	23	18%	0.175	13%	0.131	C	C	.	.			trans	-132.7	107.6	169.8	173.5	0	0	0	0	108.9	S237 D238 W239	S235-S237 PolarHBondContact O-N 3.46Å; S235-D238 WeakPolarHBondContact CB-OD2 3.41Å; S235-D238 PolarHBondContact O-N 2.83Å; S235-D238 PolarHBondContact OG-N 2.76Å; S235-D238 PolarHBondContact OG-OD2 2.87Å; S235-W239 WeakPolarHBondContact O-CB 3.49Å; S235-W239 VanDerWaalsContact O-CG 3.27Å; S235-W239 PolarHBondContact O-N 3.01Å
236	V	98.1	Very high	98.2	Very high	3 Å²	3	23 Å²	23	2%	0.018	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.1	178.6	-64.5	0	0	0	0	111.6	I106 A108 K240 V241 M244 Y261 R263	I106-V236 HydrophobicContact CB-CG1 4.18Å; I106-V236 HydrophobicContact CD1-CG1 3.86Å; I106-V236 HydrophobicContact CG1-CG1 4.18Å; I106-V236 PolarHBondContact O-N 3.38Å; A108-V236 HydrophobicContact CB-CG2 3.98Å; V236-K240 PolarHBondContact O-N 2.83Å; V236-V241 PolarHBondContact O-N 3.12Å; V236-M244 HydrophobicContact CG1-CE 3.91Å; V236-M244 HydrophobicContact CG1-SD 4.19Å; V236-Y261 HydrophobicContact CB-CD1 4.43Å; V236-Y261 HydrophobicContact CB-CE1 3.91Å; V236-Y261 HydrophobicContact CB-CE2 4.28Å; V236-Y261 HydrophobicContact CG1-CD1 4.04Å; V236-Y261 HydrophobicContact CG1-CD2 4.41Å; V236-Y261 HydrophobicContact CG1-CE1 4.03Å; V236-Y261 HydrophobicContact CG1-CE2 4.38Å; V236-Y261 HydrophobicContact CG1-CG 4.24Å; V236-Y261 HydrophobicContact CG2-CD2 4.48Å; V236-Y261 HydrophobicContact CG2-CE1 4.26Å; V236-Y261 HydrophobicContact CG2-CE2 3.77Å; V236-R263 PolarHBondContact O-NH2 2.94Å
237	S	96.4	Very high	98.2	Very high	71 Å²	71	22.9 Å²	22.9	50%	0.497	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-54.2	177.2	-179.6	0	0	0	0	111.6	S235 W239 K240	S235-S237 PolarHBondContact O-N 3.46Å; S237-W239 VanDerWaalsContact C-N 3.33Å; S237-W239 PolarHBondContact O-N 3.44Å; S237-K240 PolarHBondContact O-N 2.82Å
238	D	97.3	Very high	98.2	Very high	97 Å²	97	22.5 Å²	22.5	52%	0.519	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-41.1	-174.5	-56.9	-30.5	0	0	0	110.2	S235 K240	S235-D238 WeakPolarHBondContact CB-OD2 3.41Å; S235-D238 PolarHBondContact O-N 2.83Å; S235-D238 PolarHBondContact OG-N 2.76Å; S235-D238 PolarHBondContact OG-OD2 2.87Å; D238-K240 PolarHBondContact O-N 2.88Å
239	W	98.2	Very high	98.2	Very high	33 Å²	33	24.3 Å²	24.3	13%	0.125	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.9	177.1	-61.2	-0.9	0	0	0	114	T196 I207 E208 G211 I232 P233 I234 S235 S237 V241 M244	T196-W239 HydrophobicContact CG2-CH2 3.86Å; T196-W239 HydrophobicContact CG2-CZ3 3.8Å; I207-W239 HydrophobicContact CB-CD2 4.44Å; I207-W239 HydrophobicContact CB-CE3 4.04Å; I207-W239 HydrophobicContact CB-CZ3 4.32Å; I207-W239 HydrophobicContact CG2-CB 4.3Å; I207-W239 HydrophobicContact CG2-CD2 4.22Å; I207-W239 HydrophobicContact CG2-CE3 3.65Å; I207-W239 HydrophobicContact CG2-CZ3 4.25Å; E208-W239 HydrophobicContact CB-CG 4.35Å; G211-W239 WeakPolarHBondContact CA-O 2.98Å; I232-W239 HydrophobicContact CD1-CH2 4.32Å; P233-W239 WeakPolarHBondContact O-CZ2 3.39Å; I234-W239 HydrophobicContact CB-CH2 4.13Å; I234-W239 HydrophobicContact CB-CZ3 4.3Å; I234-W239 HydrophobicContact CD1-CH2 4.26Å; I234-W239 HydrophobicContact CD1-CZ3 4.28Å; I234-W239 HydrophobicContact CG1-CH2 3.61Å; I234-W239 HydrophobicContact CG1-CZ2 4.32Å; I234-W239 HydrophobicContact CG1-CZ3 3.97Å; I234-W239 HydrophobicContact CG2-CE3 4.12Å; I234-W239 HydrophobicContact CG2-CH2 4.17Å; I234-W239 HydrophobicContact CG2-CZ3 3.83Å; S235-W239 WeakPolarHBondContact O-CB 3.49Å; S235-W239 VanDerWaalsContact O-CG 3.27Å; S235-W239 PolarHBondContact O-N 3.01Å; S237-W239 VanDerWaalsContact C-N 3.33Å; S237-W239 PolarHBondContact O-N 3.44Å; W239-V241 HydrophobicContact CB-CG2 3.74Å; W239-V241 HydrophobicContact CE3-CG2 4.36Å; W239-V241 PolarHBondContact O-N 2.97Å; W239-M244 HydrophobicContact CE3-CE 4.18Å; W239-M244 HydrophobicContact CZ3-CE 4.23Å
240	K	98.3	Very high	98.2	Very high	80 Å²	80	25.2 Å²	25.2	35%	0.348	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	20.8	-178.4	-59.1	173	-171.4	-69.3	0	114.6	Q212 R215 V236 S237 D238	Q212-K240 HydrophobicContact CG-CD 4.12Å; R215-K240 HydrophobicContact CB-CB 4.48Å; R215-K240 HydrophobicContact CB-CD 3.91Å; R215-K240 HydrophobicContact CG-CD 4.14Å; R215-K240 PolarHBondContact NH2-O 3.43Å; V236-K240 PolarHBondContact O-N 2.83Å; S237-K240 PolarHBondContact O-N 2.82Å; D238-K240 PolarHBondContact O-N 2.88Å
241	V	98.4	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.			trans	-62.9	136	-178.7	168.5	0	0	0	0	110.9	I207 L221 T223 V236 W239 L243 M244 Y261 R263	I207-V241 HydrophobicContact CG2-CG2 3.74Å; L221-V241 HydrophobicContact CD2-CG2 3.96Å; T223-V241 HydrophobicContact CG2-CB 4.46Å; T223-V241 HydrophobicContact CG2-CG1 3.69Å; T223-V241 HydrophobicContact CG2-CG2 3.86Å; V236-V241 PolarHBondContact O-N 3.12Å; W239-V241 HydrophobicContact CB-CG2 3.74Å; W239-V241 HydrophobicContact CE3-CG2 4.36Å; W239-V241 PolarHBondContact O-N 2.97Å; V241-L243 WeakPolarHBondContact CG1-O 3.43Å; V241-M244 HydrophobicContact CG1-CB 4.08Å; V241-M244 HydrophobicContact CG1-CE 4.32Å; V241-M244 HydrophobicContact CG2-CE 4.46Å; V241-Y261 HydrophobicContact CG1-CD1 4.46Å; V241-Y261 WeakPolarHBondContact O-CE1 3.35Å; V241-R263 PolarHBondContact O-NE 2.89Å; V241-R263 PolarHBondContact O-NH2 2.99Å
242	D	98.8	Very high	98.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.136	C	C	.	.	S	Bend	trans	-95.9	-33.3	179	-67.3	-61	0	0	0	112	R215 F220 L221 R263 V268	R215-D242 IonicContact CZ-OD1 3.48Å; R215-D242 IonicContact NH1-OD1 3.35Å; R215-D242 PolarHBondContact NH1-OD1 2.81Å; R215-D242 IonicContact NH2-OD1 3Å; R215-D242 PolarHBondContact NH2-OD1 2.72Å; R215-D242 IonicContact NH2-OD2 3.3Å; F220-D242 VanDerWaalsContact CA-OD2 3.31Å; F220-D242 WeakPolarHBondContact CA-OD2 3.27Å; F220-D242 HydrophobicContact CB-CB 4.22Å; F220-D242 HydrophobicContact CD1-CB 4.02Å; L221-D242 PolarHBondContact N-OD2 3.47Å; L221-D242 WeakPolarHBondContact O-CA 3.39Å; L221-D242 WeakPolarHBondContact O-CB 3.39Å; L221-D242 PolarHBondContact O-N 3.05Å; D242-R263 WeakPolarHBondContact O-CB 3.47Å; D242-R263 PolarHBondContact O-N 3.46Å; D242-R263 WeakPolarHBondContact OD1-CD 3.36Å; D242-R263 IonicContact OD1-NE 3.16Å; D242-V268 HydrophobicContact CB-CG2 3.71Å
243	L	98.9	Very high	98.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.6	176.4	-58.4	103.8	0	0	0	111.8	A126 V130 L191 F220 L221 H222 T223 V241 L260 Y261 V262 V268 L270	A126-L243 HydrophobicContact CB-CB 4.23Å; A126-L243 HydrophobicContact CB-CD2 3.8Å; V130-L243 HydrophobicContact CG2-CD1 3.66Å; V130-L243 HydrophobicContact CG2-CD2 4.1Å; L191-L243 HydrophobicContact CD1-CD1 4.3Å; F220-L243 HydrophobicContact CB-CD1 4.49Å; L221-L243 PolarHBondContact O-N 3.43Å; H222-L243 CarbonylContact C-O 3.6Å; H222-L243 WeakPolarHBondContact CA-O 3.32Å; H222-L243 HydrophobicContact CB-CB 4.11Å; T223-L243 PolarHBondContact N-O 3.02Å; V241-L243 WeakPolarHBondContact CG1-O 3.43Å; L243-L260 HydrophobicContact CB-CD1 4.32Å; L243-L260 HydrophobicContact CD2-CD1 4.46Å; L243-L260 HydrophobicContact CD2-CD2 4.48Å; L243-Y261 VanDerWaalsContact CA-O 3.25Å; L243-Y261 WeakPolarHBondContact CA-O 3.2Å; L243-V262 HydrophobicContact CD2-CG2 4.45Å; L243-V268 HydrophobicContact CD1-CG1 3.94Å; L243-V268 HydrophobicContact CD2-CG1 4.41Å; L243-V268 HydrophobicContact CG-CG1 4.25Å; L243-L270 HydrophobicContact CD2-CD1 3.76Å; L243-L270 HydrophobicContact CD2-CD2 3.62Å; L243-L270 HydrophobicContact CD2-CG 4.21Å
244	M	98.9	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	127.8	176.9	178.4	-178	-71.5	0	0	112.1	I106 T223 A225 V229 I234 V236 W239 V241 I246 L260 Y261	I106-M244 HydrophobicContact CD1-SD 4.44Å; I106-M244 HydrophobicContact CG2-SD 4.32Å; T223-M244 HydrophobicContact CG2-CB 4.01Å; T223-M244 HydrophobicContact CG2-CE 3.61Å; T223-M244 HydrophobicContact CG2-CG 3.96Å; T223-M244 WeakPolarHBondContact O-CA 3.4Å; A225-M244 HydrophobicContact CB-CE 4.3Å; A225-M244 HydrophobicContact CB-CG 3.51Å; A225-M244 HydrophobicContact CB-SD 3.76Å; V229-M244 HydrophobicContact CG2-SD 4.4Å; I234-M244 HydrophobicContact CG2-CE 3.56Å; I234-M244 HydrophobicContact CG2-SD 3.98Å; V236-M244 HydrophobicContact CG1-CE 3.91Å; V236-M244 HydrophobicContact CG1-SD 4.19Å; W239-M244 HydrophobicContact CE3-CE 4.18Å; W239-M244 HydrophobicContact CZ3-CE 4.23Å; V241-M244 HydrophobicContact CG1-CB 4.08Å; V241-M244 HydrophobicContact CG1-CE 4.32Å; V241-M244 HydrophobicContact CG2-CE 4.46Å; M244-I246 HydrophobicContact CG-CG1 4.5Å; M244-L260 WeakPolarHBondContact O-CA 3.26Å; M244-Y261 HydrophobicContact CB-CD1 4.19Å; M244-Y261 HydrophobicContact CB-CG 4.48Å; M244-Y261 PolarHBondContact N-O 3.24Å; M244-Y261 PolarHBondContact O-N 3.14Å
245	S	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.6	178.2	-67.2	0	0	0	0	112.1	S122 N123 H222 T223 A225 A226	S122-S245 VanDerWaalsContact CB-OG 3.26Å; S122-S245 WeakPolarHBondContact CB-OG 3.37Å; N123-S245 PolarHBondContact N-OG 3.17Å; N123-S245 WeakPolarHBondContact OD1-CB 3.46Å; N123-S245 PolarHBondContact OD1-OG 3.28Å; H222-S245 PolarHBondContact NE2-OG 3.27Å; T223-S245 PolarHBondContact O-N 3.36Å; T223-S245 VanDerWaalsContact O-N 3.08Å; A225-S245 CarbonylContact C-O 3.57Å; A225-S245 WeakPolarHBondContact CA-O 3.41Å; A225-S245 PolarHBondContact N-O 3.48Å; A225-S245 VanDerWaalsContact N-O 3.07Å; A226-S245 PolarHBondContact N-O 3.29Å
246	I	98.9	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.3	-175.1	-49.2	-177.5	0	0	0	109.5	V102 I106 V229 M244 G258 A259	V102-I246 HydrophobicContact CG1-CD1 3.85Å; I106-I246 HydrophobicContact CD1-CD1 4.13Å; I106-I246 HydrophobicContact CG2-CD1 4.48Å; V229-I246 HydrophobicContact CB-CG2 4.39Å; V229-I246 HydrophobicContact CG1-CG2 4.08Å; V229-I246 HydrophobicContact CG2-CD1 4.45Å; V229-I246 HydrophobicContact CG2-CG1 4.13Å; V229-I246 HydrophobicContact CG2-CG2 4.29Å; M244-I246 HydrophobicContact CG-CG1 4.5Å; I246-G258 WeakPolarHBondContact O-CA 3.41Å; I246-A259 HydrophobicContact CB-CB 4.29Å; I246-A259 WeakPolarHBondContact CB-O 3.39Å; I246-A259 HydrophobicContact CD1-CB 4.46Å; I246-A259 PolarHBondContact N-O 3.47Å; I246-A259 PolarHBondContact O-N 3.16Å; I246-A259 VanDerWaalsContact O-N 3.07Å
247	S	98.8	Very high	98.5	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.7	177.1	-170.2	0	0	0	0	111.5	H249	S247-H249 PolarHBondContact OG-CD2 3.36Å; S247-H249 PolarHBondContact OG-NE2 2.68Å
248	G	98.6	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-67.9	-45.4	-179	0	0	0	0	0	113.8	K250 I251 G253 V257	G248-K250 PolarHBondContact O-N 3.02Å; G248-I251 WeakPolarHBondContact O-CG1 3.29Å; G248-I251 PolarHBondContact O-N 3.02Å; G248-G253 VanDerWaalsContact O-CA 3.26Å; G248-G253 WeakPolarHBondContact O-CA 3.45Å; G248-G253 PolarHBondContact O-N 3.32Å; G248-V257 PolarHBondContact N-O 3.08Å
249	H	98.6	Very high	98.7	Very high	39 Å²	39	17.5 Å²	17.5	18%	0.181	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-74.8	3.9	-175.6	80.7	105.8	0	0	0	115.2	A57 T58 T59 S247 G253 P254 K255	A57-H249 PolarHBondContact O-CE1 3.47Å; A57-H249 VanDerWaalsContact O-CE1 3.31Å; T58-H249 WeakPolarHBondContact CB-ND1 3.46Å; T58-H249 PolarHBondContact OG1-ND1 3.38Å; T58-H249 PolarHBondContact OG1-O 2.91Å; T59-H249 PolarHBondContact N-O 3.38Å; T59-H249 PolarHBondContact OG1-O 3.45Å; S247-H249 PolarHBondContact OG-CD2 3.36Å; S247-H249 PolarHBondContact OG-NE2 2.68Å; H249-G253 WeakPolarHBondContact CA-O 3.3Å; H249-P254 PolarHBondContact N-O 3.38Å; H249-K255 HydrophobicContact CB-CB 4.25Å; H249-K255 HydrophobicContact CB-CG 3.52Å
250	K	98.5	Very high	98.7	Very high	20 Å²	20	16 Å²	16	9%	0.087	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-99.3	-2.2	169.6	-55.8	-54.4	-176.7	90.6	0	112.3	Q56 A57 A226 Q227 K231 G248	Q56-K250 WeakPolarHBondContact O-CE 3.19Å; Q56-K250 PolarHBondContact O-NZ 2.89Å; A57-K250 WeakPolarHBondContact O-CE 3.22Å; A226-K250 WeakPolarHBondContact O-CB 3.48Å; Q227-K250 VanDerWaalsContact NE2-NZ 3.14Å; K231-K250 VanDerWaalsContact CE-O 3.25Å; K231-K250 WeakPolarHBondContact CE-O 3.22Å; K231-K250 PolarHBondContact NZ-O 3.23Å; G248-K250 PolarHBondContact O-N 3.02Å
251	I	98.4	Very high	98.7	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	34.9	-177.8	60.3	168.6	0	0	0	111.8	V229 G248 G253 L296 A299 C300	V229-I251 HydrophobicContact CG1-CD1 4.41Å; V229-I251 WeakPolarHBondContact O-CG2 3.48Å; G248-I251 WeakPolarHBondContact O-CG1 3.29Å; G248-I251 PolarHBondContact O-N 3.02Å; I251-G253 PolarHBondContact O-N 3.19Å; I251-L296 HydrophobicContact CD1-CD1 4.11Å; I251-A299 HydrophobicContact CD1-CB 4.23Å; I251-A299 HydrophobicContact CG1-CB 4.19Å; I251-C300 VanDerWaalsContact CD1-SG 3.6Å
252	Y	98.8	Very high	98.7	Very high	11 Å²	11	12.7 Å²	12.7	4%	0.043	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	16.9	-179.6	-40.8	-82.2	0	0	0	114.6	F55 T59 P60 M61 D62 G403 R404 F405	F55-Y252 HydrophobicContact CD1-CE1 4.01Å; F55-Y252 AromaticContact CE1-CE1 3.9Å; F55-Y252 HydrophobicContact CE1-CE1 3.9Å; T59-Y252 HydrophobicContact CG2-CD1 4.11Å; T59-Y252 HydrophobicContact CG2-CE1 3.92Å; T59-Y252 WeakPolarHBondContact OG1-CA 3.49Å; T59-Y252 PolarHBondContact OG1-N 2.68Å; P60-Y252 HydrophobicContact CG-CD1 4.5Å; P60-Y252 WeakPolarHBondContact O-CA 3.35Å; P60-Y252 WeakPolarHBondContact O-CD1 3.3Å; M61-Y252 WeakPolarHBondContact CA-O 3.49Å; D62-Y252 PolarHBondContact N-O 2.99Å; Y252-G403 WeakPolarHBondContact OH-CA 3.35Å; Y252-R404 HydrophobicContact CE1-CB 3.84Å; Y252-R404 HydrophobicContact CE2-CB 4.01Å; Y252-R404 WeakPolarHBondContact OH-CB 3.21Å; Y252-R404 PolarHBondContact OH-N 2.78Å; Y252-F405 HydrophobicContact CD1-CD2 4.26Å; Y252-F405 AromaticContact CD1-CE2 3.81Å; Y252-F405 HydrophobicContact CD1-CE2 3.81Å; Y252-F405 HydrophobicContact CE1-CD2 4.27Å; Y252-F405 HydrophobicContact CE1-CE2 4.22Å
253	G	98.8	Very high	98.7	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.031	8%	0.075	C	C	.	.			trans	-89.7	179.6	170.7	0	0	0	0	0	113.6	G248 H249 I251	G248-G253 VanDerWaalsContact O-CA 3.26Å; G248-G253 WeakPolarHBondContact O-CA 3.45Å; G248-G253 PolarHBondContact O-N 3.32Å; H249-G253 WeakPolarHBondContact CA-O 3.3Å; I251-G253 PolarHBondContact O-N 3.19Å
254	P	98.7	Very high	98.6	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.026	10%	0.095	C	C	.	.			trans	-70.9	153.8	176.7	28.1	-32.9	0	0	0	113.1	M61 M69 H249 V257 L292	M61-P254 HydrophobicContact CE-CB 3.68Å; M69-P254 HydrophobicContact CE-CB 3.92Å; M69-P254 HydrophobicContact CE-CG 3.96Å; M69-P254 HydrophobicContact SD-CB 4.04Å; M69-P254 HydrophobicContact SD-CG 3.77Å; H249-P254 PolarHBondContact N-O 3.38Å; P254-V257 HydrophobicContact CG-CG1 3.76Å; P254-L292 HydrophobicContact CB-CD2 3.93Å; P254-L292 HydrophobicContact CG-CB 4.49Å; P254-L292 HydrophobicContact CG-CD2 4.15Å
255	K	98.8	Very high	98.4	Very high	126 Å²	126	29.4 Å²	29.4	55%	0.548	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	156.2	166	-65.4	174.1	178.4	66	0	109.9	T58 H249	T58-K255 WeakPolarHBondContact OG1-CE 3.41Å; T58-K255 PolarHBondContact OG1-NZ 3.18Å; H249-K255 HydrophobicContact CB-CB 4.25Å; H249-K255 HydrophobicContact CB-CG 3.52Å
256	G	98.4	Very high	98.2	Very high	44 Å²	44	33 Å²	33	45%	0.454	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	16	177.4	0	0	0	0	0	114.8	S117	S117-G256 CarbonylContact O-C 3.42Å; S117-G256 WeakPolarHBondContact O-CA 3.25Å
257	V	98.8	Very high	98.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	19%	0.188	C	C	.	.			trans	-141.1	144.1	171.1	69	0	0	0	0	111.7	T116 S117 G248 P254 L292 L296	T116-V257 WeakPolarHBondContact O-CA 3.38Å; S117-V257 PolarHBondContact O-N 3.26Å; S117-V257 VanDerWaalsContact O-N 3.09Å; G248-V257 PolarHBondContact N-O 3.08Å; P254-V257 HydrophobicContact CG-CG1 3.76Å; V257-L292 HydrophobicContact CB-CB 3.79Å; V257-L292 HydrophobicContact CG1-CB 4.06Å; V257-L292 HydrophobicContact CG2-CB 4.1Å; V257-L296 HydrophobicContact CG1-CB 3.99Å; V257-L296 HydrophobicContact CG2-CB 4.3Å; V257-L296 HydrophobicContact CG2-CD2 4.07Å
258	G	98.8	Very high	98.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	-173.2	172.6	0	0	0	0	0	110.6	T116 I246	T116-G258 PolarHBondContact N-O 2.92Å; T116-G258 PolarHBondContact O-N 3.35Å; T116-G258 VanDerWaalsContact OG1-C 3.28Å; T116-G258 PolarHBondContact OG1-O 3.01Å; I246-G258 WeakPolarHBondContact O-CA 3.41Å
259	A	98.9	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.3	171.9	0	0	0	0	0	110.9	V102 I113 I114 S122 I246 L296	V102-A259 HydrophobicContact CG1-CB 4.22Å; I113-A259 HydrophobicContact CG2-CB 3.93Å; I114-A259 CarbonylContact O-C 3.46Å; I114-A259 WeakPolarHBondContact O-CA 3.29Å; S122-A259 PolarHBondContact OG-O 2.94Å; I246-A259 HydrophobicContact CB-CB 4.29Å; I246-A259 WeakPolarHBondContact CB-O 3.39Å; I246-A259 HydrophobicContact CD1-CB 4.46Å; I246-A259 PolarHBondContact N-O 3.47Å; I246-A259 PolarHBondContact O-N 3.16Å; I246-A259 VanDerWaalsContact O-N 3.07Å; A259-L296 HydrophobicContact CB-CD2 4.14Å
260	L	98.9	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.9	167.4	179	62.1	0	0	0	108.2	I114 T116 M125 A126 L243 M244 V262 L270	I114-L260 HydrophobicContact CB-CB 4.47Å; I114-L260 WeakPolarHBondContact CB-O 3.32Å; I114-L260 PolarHBondContact N-O 2.77Å; I114-L260 PolarHBondContact O-N 3.43Å; T116-L260 HydrophobicContact CG2-CB 4.27Å; M125-L260 HydrophobicContact CB-CD2 3.91Å; M125-L260 HydrophobicContact CE-CD2 4.23Å; A126-L260 HydrophobicContact CB-CD1 3.94Å; A126-L260 HydrophobicContact CB-CD2 4.36Å; L243-L260 HydrophobicContact CB-CD1 4.32Å; L243-L260 HydrophobicContact CD2-CD1 4.46Å; L243-L260 HydrophobicContact CD2-CD2 4.48Å; M244-L260 WeakPolarHBondContact O-CA 3.26Å; L260-V262 HydrophobicContact CD2-CG2 3.87Å; L260-V262 HydrophobicContact CG-CG2 3.78Å; L260-L270 HydrophobicContact CD2-CD1 4.06Å
261	Y	98.9	Very high	97.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132	162.8	166.9	-100.4	0	0	0	109.2	I106 A108 E112 I113 V236 V241 L243 M244 R263	I106-Y261 HydrophobicContact CD1-CD2 4.17Å; I106-Y261 HydrophobicContact CD1-CG 4.27Å; A108-Y261 HydrophobicContact CB-CD2 3.68Å; A108-Y261 HydrophobicContact CB-CE2 3.6Å; E112-Y261 HydrophobicContact CB-CD2 3.67Å; E112-Y261 HydrophobicContact CB-CE2 3.52Å; E112-Y261 HydrophobicContact CG-CE2 4.13Å; E112-Y261 CarbonylContact O-C 3.59Å; E112-Y261 WeakPolarHBondContact O-CA 3.44Å; E112-Y261 WeakPolarHBondContact OE2-CE2 3.37Å; I113-Y261 HydrophobicContact CD1-CD2 4.21Å; V236-Y261 HydrophobicContact CB-CD1 4.43Å; V236-Y261 HydrophobicContact CB-CE1 3.91Å; V236-Y261 HydrophobicContact CB-CE2 4.28Å; V236-Y261 HydrophobicContact CG1-CD1 4.04Å; V236-Y261 HydrophobicContact CG1-CD2 4.41Å; V236-Y261 HydrophobicContact CG1-CE1 4.03Å; V236-Y261 HydrophobicContact CG1-CE2 4.38Å; V236-Y261 HydrophobicContact CG1-CG 4.24Å; V236-Y261 HydrophobicContact CG2-CD2 4.48Å; V236-Y261 HydrophobicContact CG2-CE1 4.26Å; V236-Y261 HydrophobicContact CG2-CE2 3.77Å; V241-Y261 HydrophobicContact CG1-CD1 4.46Å; V241-Y261 WeakPolarHBondContact O-CE1 3.35Å; L243-Y261 VanDerWaalsContact CA-O 3.25Å; L243-Y261 WeakPolarHBondContact CA-O 3.2Å; M244-Y261 HydrophobicContact CB-CD1 4.19Å; M244-Y261 HydrophobicContact CB-CG 4.48Å; M244-Y261 PolarHBondContact N-O 3.24Å; M244-Y261 PolarHBondContact O-N 3.14Å; Y261-R263 HydrophobicContact CE1-CB 3.91Å; Y261-R263 WeakPolarHBondContact OH-CB 3.43Å
262	V	98.8	Very high	97.9	Very high	10 Å²	10	50.9 Å²	50.9	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108.7	174.6	-173.4	0	0	0	0	108.9	E112 I114 L243 L260 R264 V268 L270 L283	E112-V262 WeakPolarHBondContact CB-O 3.31Å; E112-V262 PolarHBondContact O-N 3.47Å; I114-V262 HydrophobicContact CG1-CG2 4.18Å; L243-V262 HydrophobicContact CD2-CG2 4.45Å; L260-V262 HydrophobicContact CD2-CG2 3.87Å; L260-V262 HydrophobicContact CG-CG2 3.78Å; V262-R264 PolarHBondContact O-N 3.31Å; V262-V268 HydrophobicContact CG1-CB 4.07Å; V262-V268 HydrophobicContact CG1-CG1 4.18Å; V262-L270 HydrophobicContact CG1-CD1 4.03Å; V262-L270 HydrophobicContact CG1-CG 4.46Å; V262-L270 HydrophobicContact CG2-CD1 3.72Å; V262-L283 HydrophobicContact CG2-CD1 4.37Å
263	R	98.6	Very high	97.8	Very high	23 Å²	23	53.2 Å²	53.2	9%	0.087	25%	0.247	C	C	.	.			trans	-57.7	131.6	-177.4	-179.2	-177	-71.7	-80.6	-1.6	112.1	V236 V241 D242 Y261 R265 P266 V268	V236-R263 PolarHBondContact O-NH2 2.94Å; V241-R263 PolarHBondContact O-NE 2.89Å; V241-R263 PolarHBondContact O-NH2 2.99Å; D242-R263 WeakPolarHBondContact O-CB 3.47Å; D242-R263 PolarHBondContact O-N 3.46Å; D242-R263 WeakPolarHBondContact OD1-CD 3.36Å; D242-R263 IonicContact OD1-NE 3.16Å; Y261-R263 HydrophobicContact CE1-CB 3.91Å; Y261-R263 WeakPolarHBondContact OH-CB 3.43Å; R263-R265 WeakPolarHBondContact CD-O 3.38Å; R263-R265 WeakPolarHBondContact CG-O 3.35Å; R263-R265 PolarHBondContact NH1-O 3.44Å; R263-P266 WeakPolarHBondContact CG-O 3.46Å; R263-V268 HydrophobicContact CB-CG2 3.83Å; R263-V268 WeakPolarHBondContact O-CB 3.41Å; R263-V268 PolarHBondContact O-N 3.14Å
264	R	96.9	Very high	97.8	Very high	113 Å²	113	56.9 Å²	56.9	43%	0.426	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-25.5	176.2	-77.9	-179.1	77.9	-156.7	6.7	113.7	R111 E112 V262 P266 R267	R111-R264 WeakPolarHBondContact O-CD 3.42Å; E112-R264 HydrophobicContact CG-CB 4Å; E112-R264 HydrophobicContact CG-CG 3.78Å; E112-R264 PolarHBondContact OE1-N 3.49Å; V262-R264 PolarHBondContact O-N 3.31Å; R264-P266 CarbonylContact C-O 3.59Å; R264-P266 CarbonylContact O-C 3.47Å; R264-R267 WeakPolarHBondContact O-CA 3.44Å; R264-R267 WeakPolarHBondContact O-CB 3.36Å; R264-R267 PolarHBondContact O-N 2.95Å
265	R	94.4	Very high	97.7	Very high	215 Å²	215	62.2 Å²	62.2	81%	0.811	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	117.3	178.7	-69.2	-173	177.9	177.3	-0.9	112	R263	R263-R265 WeakPolarHBondContact CD-O 3.38Å; R263-R265 WeakPolarHBondContact CG-O 3.35Å; R263-R265 PolarHBondContact NH1-O 3.44Å
266	P	94.8	Very high	97.5	Very high	77 Å²	77	58.9 Å²	58.9	50%	0.5	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	cis	-56.1	152.3	-17.1	26.1	-35.9	0	0	0	111.9	R263 R264 V268	R263-P266 WeakPolarHBondContact CG-O 3.46Å; R264-P266 CarbonylContact C-O 3.59Å; R264-P266 CarbonylContact O-C 3.47Å; P266-V268 PolarHBondContact O-N 3.48Å
267	R	96.8	Very high	97.3	Very high	169 Å²	169	60 Å²	60	64%	0.638	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	120.4	-168.1	-174.7	174.9	-179	175.8	1.5	111.9	R264 R269	R264-R267 WeakPolarHBondContact O-CA 3.44Å; R264-R267 WeakPolarHBondContact O-CB 3.36Å; R264-R267 PolarHBondContact O-N 2.95Å; R267-R269 HydrophobicContact CG-CG 4.43Å
268	V	97.8	Very high	97.1	Very high	8 Å²	8	61.7 Å²	61.7	5%	0.048	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-89.9	144.2	168.4	-176.7	0	0	0	0	109.2	F220 D242 L243 V262 R263 P266 L270	F220-V268 HydrophobicContact CD1-CG1 4.46Å; F220-V268 HydrophobicContact CD1-CG2 3.96Å; F220-V268 HydrophobicContact CE1-CB 4.49Å; F220-V268 HydrophobicContact CE1-CG1 4.48Å; F220-V268 HydrophobicContact CE1-CG2 3.9Å; D242-V268 HydrophobicContact CB-CG2 3.71Å; L243-V268 HydrophobicContact CD1-CG1 3.94Å; L243-V268 HydrophobicContact CD2-CG1 4.41Å; L243-V268 HydrophobicContact CG-CG1 4.25Å; V262-V268 HydrophobicContact CG1-CB 4.07Å; V262-V268 HydrophobicContact CG1-CG1 4.18Å; R263-V268 HydrophobicContact CB-CG2 3.83Å; R263-V268 WeakPolarHBondContact O-CB 3.41Å; R263-V268 PolarHBondContact O-N 3.14Å; P266-V268 PolarHBondContact O-N 3.48Å; V268-L270 HydrophobicContact CG1-CD2 4.43Å
269	R	97.5	Very high	97	Very high	116 Å²	116	63.9 Å²	63.9	44%	0.438	34%	0.342	S	S	.	.			trans	-129	147.6	175.1	-64.3	-169.9	-177.9	-159.3	6.3	110.3	F133 Y134 R267	F133-R269 HydrophobicContact CD1-CB 3.7Å; F133-R269 HydrophobicContact CD2-CB 4.03Å; F133-R269 HydrophobicContact CE1-CB 3.45Å; F133-R269 VanDerWaalsContact CE1-CB 3.45Å; F133-R269 HydrophobicContact CE1-CG 4.14Å; F133-R269 HydrophobicContact CE2-CB 3.79Å; F133-R269 HydrophobicContact CG-CB 4.01Å; F133-R269 HydrophobicContact CZ-CB 3.52Å; F133-R269 HydrophobicContact CZ-CG 4.03Å; Y134-R269 WeakPolarHBondContact CE2-O 3.49Å; Y134-R269 PolarHBondContact OH-N 2.65Å; R267-R269 HydrophobicContact CG-CG 4.43Å
270	L	96.9	Very high	97	Very high	12 Å²	12	64.4 Å²	64.4	6%	0.063	34%	0.344	C	S	.	.			trans	-135.9	145.9	-176.9	-54.3	171.5	0	0	0	109.1	G129 V130 L243 L260 V262 V268 L283	G129-L270 WeakPolarHBondContact O-CA 3.47Å; V130-L270 HydrophobicContact CB-CD2 4.05Å; V130-L270 HydrophobicContact CG2-CD2 3.16Å; L243-L270 HydrophobicContact CD2-CD1 3.76Å; L243-L270 HydrophobicContact CD2-CD2 3.62Å; L243-L270 HydrophobicContact CD2-CG 4.21Å; L260-L270 HydrophobicContact CD2-CD1 4.06Å; V262-L270 HydrophobicContact CG1-CD1 4.03Å; V262-L270 HydrophobicContact CG1-CG 4.46Å; V262-L270 HydrophobicContact CG2-CD1 3.72Å; V268-L270 HydrophobicContact CG1-CD2 4.43Å; L270-L283 HydrophobicContact CB-CD2 4.18Å
271	E	97.9	Very high	96.8	Very high	79 Å²	79	69.9 Å²	69.9	37%	0.369	37%	0.365	S	S	.	.			trans	-79	123.5	162.4	-170.3	177.1	139.3	0	0	109.4	G129 R132 F133	G129-E271 WeakPolarHBondContact CA-O 3.3Å; G129-E271 PolarHBondContact O-N 3.01Å; R132-E271 HydrophobicContact CB-CB 4.21Å; R132-E271 VanDerWaalsContact CB-OE2 3.29Å; R132-E271 WeakPolarHBondContact CB-OE2 3.44Å; F133-E271 HydrophobicContact CB-CB 4.48Å
272	P	97.4	Very high	96.7	Very high	55 Å²	55	71.1 Å²	71.1	36%	0.357	38%	0.378	S	S	.	.			trans	-65.4	134.6	177.5	-19	31.9	0	0	0	111.4	G282	P272-G282 WeakPolarHBondContact CB-O 3.47Å; P272-G282 WeakPolarHBondContact CG-O 3.18Å
273	L	97.6	Very high	96.7	Very high	59 Å²	59	72.3 Å²	72.3	31%	0.309	38%	0.384	S	S	.	.	S	Bend	trans	-86	-31.3	175.2	-59.1	-174.3	0	0	0	112.8	N124 M125 K128 R132	N124-L273 HydrophobicContact CB-CD1 4.07Å; M125-L273 HydrophobicContact CG-CD1 4.23Å; M125-L273 HydrophobicContact CG-CG 4.46Å; K128-L273 HydrophobicContact CB-CD1 4.22Å; K128-L273 HydrophobicContact CB-CD2 4Å; K128-L273 HydrophobicContact CD-CD1 4.16Å; R132-L273 VanDerWaalsContact NH1-CD2 3.31Å
274	Q	97.7	Very high	96.7	Very high	80 Å²	80	72.6 Å²	72.6	37%	0.374	39%	0.385	S	S	.	.	S	Bend	trans	-103.7	104.3	-176.6	-173.6	160.9	-56.3	0	0	110.9	S285	Q274-S285 PolarHBondContact NE2-O 3.38Å; Q274-S285 VanDerWaalsContact O-CB 3.28Å; Q274-S285 WeakPolarHBondContact O-CB 3.48Å; Q274-S285 PolarHBondContact O-N 2.99Å; Q274-S285 PolarHBondContact O-OG 2.9Å
275	S	97.7	Very high	96.7	Very high	117 Å²	117	67.5 Å²	67.5	82%	0.818	37%	0.367	S	S	*	.			trans	-70.9	146.6	177.1	-60	0	0	0	0	112.3
276	G	94.4	Very high	96.9	Very high	55 Å²	55	58.5 Å²	58.5	57%	0.567	34%	0.341	S	S	*	.	S	Bend	trans	155.1	-164.3	179.3	0	0	0	0	0	111.9	G278 S285	G276-G278 PolarHBondContact O-N 2.96Å; G276-S285 VanDerWaalsContact C-OG 3.23Å; G276-S285 WeakPolarHBondContact CA-OG 3.13Å; G276-S285 PolarHBondContact N-OG 3.42Å; G276-S285 PolarHBondContact O-OG 2.83Å
277	G	93.3	Very high	97	Very high	69 Å²	69	58.8 Å²	58.8	71%	0.711	34%	0.342	S	S	*	.	S	Bend	trans	-65.7	18.2	-168.3	0	0	0	0	0	117.6	Q279	G277-Q279 PolarHBondContact O-N 2.81Å; G277-Q279 PolarHBondContact O-NE2 2.77Å
278	G	94.8	Very high	97.1	Very high	37 Å²	37	50.9 Å²	50.9	38%	0.381	31%	0.312	S	S	.	.			trans	75.7	23	170.6	0	0	0	0	0	114.8	G276 G282 S285	G276-G278 PolarHBondContact O-N 2.96Å; G278-G282 PolarHBondContact O-N 2.64Å; G278-S285 PolarHBondContact N-OG 2.82Å
279	Q	97.7	Very high	97.1	Very high	45 Å²	45	53 Å²	53	21%	0.21	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	163.7	170.6	-67	73.5	32.8	0	0	111.1	H81 G277 R281 G282 R284 G286	H81-Q279 WeakPolarHBondContact CE1-CG 3.18Å; H81-Q279 WeakPolarHBondContact NE2-CG 3.26Å; G277-Q279 PolarHBondContact O-N 2.81Å; G277-Q279 PolarHBondContact O-NE2 2.77Å; Q279-R281 PolarHBondContact O-N 3.35Å; Q279-G282 PolarHBondContact O-N 3.44Å; Q279-R284 CarbonylContact C-O 3.58Å; Q279-R284 CarbonylContact O-C 2.94Å; Q279-G286 WeakPolarHBondContact CB-O 3.35Å; Q279-G286 WeakPolarHBondContact CG-O 3.36Å
280	E	97.9	Very high	97.2	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.056	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	49.8	47.8	-178	-61.8	-64.4	100.2	0	0	112.4	R99 I114 F115 G282 L283 R284 V288	R99-E280 IonicContact CZ-OE1 2.67Å; R99-E280 IonicContact CZ-OE2 3.38Å; R99-E280 IonicContact NH1-OE1 3.92Å; R99-E280 IonicContact NH1-OE2 2.72Å; R99-E280 PolarHBondContact NH1-OE2 3.26Å; R99-E280 IonicContact NH2-OE1 3.95Å; R99-E280 PolarHBondContact NH2-OE1 3.25Å; R99-E280 IonicContact NH2-OE2 2.92Å; I114-E280 WeakPolarHBondContact CA-OE2 3.19Å; I114-E280 HydrophobicContact CD1-CB 4.35Å; I114-E280 HydrophobicContact CG2-CB 3.98Å; I114-E280 HydrophobicContact CG2-CG 4.42Å; F115-E280 PolarHBondContact N-OE2 2.88Å; E280-G282 PolarHBondContact O-N 2.84Å; E280-L283 PolarHBondContact O-N 3.12Å; E280-L283 VanDerWaalsContact O-N 3.08Å; E280-R284 HydrophobicContact CB-CB 3.95Å; E280-R284 HydrophobicContact CG-CB 4.25Å; E280-V288 HydrophobicContact CG-CG2 4.11Å
281	R	96.3	Very high	97.3	Very high	114 Å²	114	48.6 Å²	48.6	43%	0.43	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	61.3	28.8	177.3	-47.8	175.9	-175	107	17	113.1	P110 R111 I113 Q279 L283	P110-R281 PolarHBondContact O-NH2 3.08Å; R111-R281 VanDerWaalsContact CA-CZ 3.44Å; R111-R281 PolarHBondContact O-NH1 3.2Å; I113-R281 PolarHBondContact O-NH1 3.04Å; Q279-R281 PolarHBondContact O-N 3.35Å; R281-L283 VanDerWaalsContact C-N 3.28Å; R281-L283 PolarHBondContact O-N 3.28Å
282	G	96.7	Very high	97.3	Very high	28 Å²	28	47.1 Å²	47.1	29%	0.289	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	81.3	-0.7	-178.5	0	0	0	0	0	114.6	P272 G278 Q279 E280	P272-G282 WeakPolarHBondContact CB-O 3.47Å; P272-G282 WeakPolarHBondContact CG-O 3.18Å; G278-G282 PolarHBondContact O-N 2.64Å; Q279-G282 PolarHBondContact O-N 3.44Å; E280-G282 PolarHBondContact O-N 2.84Å
283	L	97.5	Very high	97.4	Very high	35 Å²	35	44.5 Å²	44.5	18%	0.183	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-27.8	-177.2	-64.9	178.8	0	0	0	113.2	I114 M125 V262 L270 E280 R281	I114-L283 HydrophobicContact CD1-CD1 3.95Å; I114-L283 HydrophobicContact CG1-CD1 3.96Å; I114-L283 HydrophobicContact CG2-CB 4.44Å; M125-L283 WeakPolarHBondContact CE-O 3.29Å; V262-L283 HydrophobicContact CG2-CD1 4.37Å; L270-L283 HydrophobicContact CB-CD2 4.18Å; E280-L283 PolarHBondContact O-N 3.12Å; E280-L283 VanDerWaalsContact O-N 3.08Å; R281-L283 VanDerWaalsContact C-N 3.28Å; R281-L283 PolarHBondContact O-N 3.28Å
284	R	98.1	Very high	97.5	Very high	30 Å²	30	42.3 Å²	42.3	11%	0.113	28%	0.279	C	S	.	.	S	Bend	trans	-147	92.9	-177.8	-159.6	-76.4	179.9	171.9	4	110	I114 E121 M125 Q279 E280	I114-R284 HydrophobicContact CG2-CB 3.88Å; E121-R284 WeakPolarHBondContact OE1-CG 3.49Å; E121-R284 IonicContact OE1-CZ 2.69Å; E121-R284 IonicContact OE1-NE 3.57Å; E121-R284 PolarHBondContact OE1-NE 2.76Å; E121-R284 IonicContact OE1-NH2 3.66Å; E121-R284 PolarHBondContact OE1-NH2 2.67Å; E121-R284 IonicContact OE2-CZ 3.91Å; E121-R284 IonicContact OE2-NE 2.71Å; E121-R284 IonicContact OE2-NH2 3.71Å; E121-R284 PolarHBondContact OE2-NH2 2.87Å; M125-R284 HydrophobicContact CE-CB 3.89Å; M125-R284 HydrophobicContact CE-CG 4.09Å; M125-R284 HydrophobicContact SD-CB 4.38Å; M125-R284 HydrophobicContact SD-CG 3.91Å; Q279-R284 CarbonylContact C-O 3.58Å; Q279-R284 CarbonylContact O-C 2.94Å; E280-R284 HydrophobicContact CB-CB 3.95Å; E280-R284 HydrophobicContact CG-CB 4.25Å
285	S	98.1	Very high	97.5	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.035	26%	0.262	C	S	.	.			trans	-69.6	160.8	179.7	-58.7	0	0	0	0	112.6	Q274 G276 G278	Q274-S285 PolarHBondContact NE2-O 3.38Å; Q274-S285 VanDerWaalsContact O-CB 3.28Å; Q274-S285 WeakPolarHBondContact O-CB 3.48Å; Q274-S285 PolarHBondContact O-N 2.99Å; Q274-S285 PolarHBondContact O-OG 2.9Å; G276-S285 VanDerWaalsContact C-OG 3.23Å; G276-S285 WeakPolarHBondContact CA-OG 3.13Å; G276-S285 PolarHBondContact N-OG 3.42Å; G276-S285 PolarHBondContact O-OG 2.83Å; G278-S285 PolarHBondContact N-OG 2.82Å
286	G	97.6	Very high	97.6	Very high	26 Å²	26	33 Å²	33	27%	0.268	22%	0.223	S	C	.	.	S	Bend	trans	109.4	158.5	178.9	0	0	0	0	0	113.2	Q279 V288	Q279-G286 WeakPolarHBondContact CB-O 3.35Å; Q279-G286 WeakPolarHBondContact CG-O 3.36Å; G286-V288 PolarHBondContact O-N 2.87Å
287	T	98.1	Very high	97.8	Very high	84 Å²	84	30.3 Å²	30.3	52%	0.515	20%	0.196	S	C	.	.			trans	-60.4	132.1	179.9	-54.6	0	0	0	0	110.1	P289	T287-P289 WeakPolarHBondContact O-CD 3.41Å
288	V	98.3	Very high	98.1	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	17%	0.167	C	C	.	.			trans	-78.6	123.6	174.2	177.1	0	0	0	0	106.7	P80 H81 M95 F115 E280 G286 T290 A293	P80-V288 HydrophobicContact CG-CB 4.25Å; H81-V288 PolarHBondContact NE2-N 3.35Å; M95-V288 HydrophobicContact CG-CG1 3.96Å; M95-V288 HydrophobicContact SD-CB 3.66Å; M95-V288 HydrophobicContact SD-CG1 3.63Å; M95-V288 HydrophobicContact SD-CG2 3.81Å; F115-V288 HydrophobicContact CB-CG1 4.32Å; F115-V288 HydrophobicContact CD2-CG1 3.94Å; F115-V288 HydrophobicContact CG-CG1 4.32Å; E280-V288 HydrophobicContact CG-CG2 4.11Å; G286-V288 PolarHBondContact O-N 2.87Å; V288-T290 PolarHBondContact O-N 3.49Å; V288-A293 HydrophobicContact CG1-CB 4.16Å
289	P	98.3	Very high	98.3	Very high	51 Å²	51	26 Å²	26	33%	0.331	15%	0.149	S	C	.	.			trans	-74.9	88.8	-178.9	29.7	-33.9	0	0	0	109.8	T287 P291 L292 A293	T287-P289 WeakPolarHBondContact O-CD 3.41Å; P289-P291 VanDerWaalsContact C-CD 3.48Å; P289-L292 HydrophobicContact CB-CB 4.18Å; P289-L292 HydrophobicContact CB-CD1 3.91Å; P289-L292 HydrophobicContact CB-CG 4.06Å; P289-L292 HydrophobicContact CG-CB 4.1Å; P289-L292 HydrophobicContact CG-CD1 3.95Å; P289-L292 HydrophobicContact CG-CG 4.34Å; P289-L292 PolarHBondContact O-N 3.24Å; P289-A293 PolarHBondContact O-N 3.22Å
290	T	98.8	Very high	98.3	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-47.8	-47	-173.5	-54.9	0	0	0	0	114.2	Y72 P80 S91 A94 V288 L292 A293 V294	Y72-T290 HydrophobicContact CD1-CG2 4.01Å; Y72-T290 HydrophobicContact CG-CG2 4.47Å; P80-T290 WeakPolarHBondContact CD-OG1 3.44Å; P80-T290 WeakPolarHBondContact CG-OG1 3.46Å; S91-T290 WeakPolarHBondContact OG-CB 3.28Å; S91-T290 WeakPolarHBondContact OG-CG2 3.33Å; S91-T290 PolarHBondContact OG-OG1 3.34Å; A94-T290 HydrophobicContact CB-CG2 4.1Å; V288-T290 PolarHBondContact O-N 3.49Å; T290-L292 VanDerWaalsContact C-N 3.29Å; T290-L292 PolarHBondContact O-N 2.83Å; T290-A293 PolarHBondContact O-N 3.1Å; T290-V294 HydrophobicContact CG2-CG2 4.23Å; T290-V294 WeakPolarHBondContact O-CB 3.39Å; T290-V294 VanDerWaalsContact O-CG2 3.3Å; T290-V294 WeakPolarHBondContact O-CG2 3.29Å; T290-V294 PolarHBondContact O-N 3.06Å
291	P	98.8	Very high	98.4	Very high	30 Å²	30	24.5 Å²	24.5	20%	0.195	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-39.2	178.1	-22.4	33	0	0	0	112.7	M69 Q73 P289 G295	M69-P291 WeakPolarHBondContact CG-O 3.44Å; Q73-P291 HydrophobicContact CG-CB 3.99Å; Q73-P291 HydrophobicContact CG-CG 4.12Å; P289-P291 VanDerWaalsContact C-CD 3.48Å; P291-G295 PolarHBondContact O-N 3.32Å
292	L	98.9	Very high	98.5	Very high	48 Å²	48	19.8 Å²	19.8	25%	0.251	13%	0.129	S	C	.	.	H	α-helix	trans	-73.5	-38.7	179.2	-54.6	-178.1	0	0	0	111.7	M69 P254 V257 P289 T290 G295 L296	M69-L292 HydrophobicContact CE-CD2 3.86Å; P254-L292 HydrophobicContact CB-CD2 3.93Å; P254-L292 HydrophobicContact CG-CB 4.49Å; P254-L292 HydrophobicContact CG-CD2 4.15Å; V257-L292 HydrophobicContact CB-CB 3.79Å; V257-L292 HydrophobicContact CG1-CB 4.06Å; V257-L292 HydrophobicContact CG2-CB 4.1Å; P289-L292 HydrophobicContact CB-CB 4.18Å; P289-L292 HydrophobicContact CB-CD1 3.91Å; P289-L292 HydrophobicContact CB-CG 4.06Å; P289-L292 HydrophobicContact CG-CB 4.1Å; P289-L292 HydrophobicContact CG-CD1 3.95Å; P289-L292 HydrophobicContact CG-CG 4.34Å; P289-L292 PolarHBondContact O-N 3.24Å; T290-L292 VanDerWaalsContact C-N 3.29Å; T290-L292 PolarHBondContact O-N 2.83Å; L292-G295 PolarHBondContact O-N 3.13Å; L292-L296 PolarHBondContact O-N 3.06Å
293	A	98.8	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-48	174.2	0	0	0	0	0	110.6	A98 F115 V288 P289 T290 G295 L296 G297	A98-A293 WeakPolarHBondContact CB-O 3.44Å; F115-A293 HydrophobicContact CD1-CB 4.3Å; F115-A293 HydrophobicContact CD2-CB 4.46Å; F115-A293 HydrophobicContact CE1-CB 3.96Å; F115-A293 HydrophobicContact CE2-CB 4.13Å; F115-A293 HydrophobicContact CZ-CB 3.87Å; V288-A293 HydrophobicContact CG1-CB 4.16Å; P289-A293 PolarHBondContact O-N 3.22Å; T290-A293 PolarHBondContact O-N 3.1Å; A293-G295 VanDerWaalsContact C-N 3.32Å; A293-G295 PolarHBondContact O-N 3.02Å; A293-L296 PolarHBondContact O-N 3.05Å; A293-G297 PolarHBondContact O-N 2.83Å
294	V	98.9	Very high	98.6	Very high	14 Å²	14	21.5 Å²	21.5	9%	0.085	13%	0.128	C	C	.	.	H	α-helix	trans	-56.7	-45.6	173.5	170.8	0	0	0	0	111.2	A68 Y72 A94 T290 L296 G297 A298	A68-V294 HydrophobicContact CB-CG1 4.21Å; A68-V294 WeakPolarHBondContact O-CG1 3.32Å; Y72-V294 HydrophobicContact CD2-CB 4.24Å; Y72-V294 HydrophobicContact CD2-CG1 3.97Å; Y72-V294 HydrophobicContact CD2-CG2 3.95Å; Y72-V294 HydrophobicContact CE2-CB 4.29Å; Y72-V294 HydrophobicContact CE2-CG1 3.76Å; Y72-V294 HydrophobicContact CE2-CG2 3.81Å; Y72-V294 HydrophobicContact CG-CG2 4.35Å; A94-V294 HydrophobicContact CB-CG2 3.86Å; T290-V294 HydrophobicContact CG2-CG2 4.23Å; T290-V294 WeakPolarHBondContact O-CB 3.39Å; T290-V294 VanDerWaalsContact O-CG2 3.3Å; T290-V294 WeakPolarHBondContact O-CG2 3.29Å; T290-V294 PolarHBondContact O-N 3.06Å; V294-L296 VanDerWaalsContact C-N 3.35Å; V294-L296 PolarHBondContact O-N 3.32Å; V294-G297 PolarHBondContact O-N 3.19Å; V294-A298 WeakPolarHBondContact O-CB 3.36Å; V294-A298 PolarHBondContact O-N 2.87Å
295	G	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-42	177	0	0	0	0	0	113.3	V65 P291 L292 A293 A299	V65-G295 WeakPolarHBondContact CG1-O 3.33Å; P291-G295 PolarHBondContact O-N 3.32Å; L292-G295 PolarHBondContact O-N 3.13Å; A293-G295 VanDerWaalsContact C-N 3.32Å; A293-G295 PolarHBondContact O-N 3.02Å; G295-A299 VanDerWaalsContact O-CB 3.29Å; G295-A299 WeakPolarHBondContact O-CB 3.44Å; G295-A299 PolarHBondContact O-N 3Å
296	L	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-45.5	174.9	175.5	60.7	0	0	0	111.8	V102 F115 I251 V257 A259 L292 A293 V294 A299 C300	V102-L296 HydrophobicContact CG2-CD2 4.19Å; V102-L296 HydrophobicContact CG2-CG 3.91Å; F115-L296 HydrophobicContact CD1-CD2 4.14Å; F115-L296 HydrophobicContact CE1-CD2 4.04Å; I251-L296 HydrophobicContact CD1-CD1 4.11Å; V257-L296 HydrophobicContact CG1-CB 3.99Å; V257-L296 HydrophobicContact CG2-CB 4.3Å; V257-L296 HydrophobicContact CG2-CD2 4.07Å; A259-L296 HydrophobicContact CB-CD2 4.14Å; L292-L296 PolarHBondContact O-N 3.06Å; A293-L296 PolarHBondContact O-N 3.05Å; V294-L296 VanDerWaalsContact C-N 3.35Å; V294-L296 PolarHBondContact O-N 3.32Å; L296-A299 PolarHBondContact O-N 3.15Å; L296-C300 PolarHBondContact O-N 3.07Å; L296-C300 PolarHBondContact O-SG 2.73Å
297	G	98.9	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-46	177.1	0	0	0	0	0	112.5	Q101 A293 V294 A299 C300 S301	Q101-G297 WeakPolarHBondContact CB-O 3.33Å; Q101-G297 VanDerWaalsContact OE1-CA 3.27Å; Q101-G297 PolarHBondContact OE1-O 2.94Å; A293-G297 PolarHBondContact O-N 2.83Å; V294-G297 PolarHBondContact O-N 3.19Å; G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 3.29Å; G297-C300 PolarHBondContact O-N 2.89Å; G297-S301 WeakPolarHBondContact O-CB 3.37Å; G297-S301 PolarHBondContact O-N 3.17Å
298	A	98.9	Very high	98.7	Very high	12 Å²	12	32.8 Å²	32.8	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-44.6	176	0	0	0	0	0	111.5	V65 A68 V294 C300 S301 I302	V65-A298 HydrophobicContact CG2-CB 4.22Å; A68-A298 HydrophobicContact CB-CB 3.92Å; V294-A298 WeakPolarHBondContact O-CB 3.36Å; V294-A298 PolarHBondContact O-N 2.87Å; A298-C300 VanDerWaalsContact C-N 3.32Å; A298-C300 PolarHBondContact O-N 3.35Å; A298-S301 PolarHBondContact O-N 2.71Å; A298-I302 WeakPolarHBondContact O-CD1 3.3Å; A298-I302 VanDerWaalsContact O-CG1 3.3Å; A298-I302 WeakPolarHBondContact O-CG1 3.48Å; A298-I302 PolarHBondContact O-N 3.38Å
299	A	98.9	Very high	98.7	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-40.8	176	0	0	0	0	0	112.1	V65 I251 G295 L296 G297 S303	V65-A299 HydrophobicContact CG2-CB 3.86Å; I251-A299 HydrophobicContact CD1-CB 4.23Å; I251-A299 HydrophobicContact CG1-CB 4.19Å; G295-A299 VanDerWaalsContact O-CB 3.29Å; G295-A299 WeakPolarHBondContact O-CB 3.44Å; G295-A299 PolarHBondContact O-N 3Å; L296-A299 PolarHBondContact O-N 3.15Å; G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 3.29Å; A299-S303 VanDerWaalsContact O-CB 3.3Å; A299-S303 WeakPolarHBondContact O-CB 3.3Å; A299-S303 PolarHBondContact O-N 2.73Å; A299-S303 PolarHBondContact O-OG 3.44Å
300	C	98.9	Very high	98.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-44.7	175.6	-67.6	0	0	0	0	112	V102 L105 I251 L296 G297 A298 I302 S303 Q304	V102-C300 HydrophobicContact CG2-CB 4.47Å; L105-C300 HydrophobicContact CB-CB 4.23Å; L105-C300 HydrophobicContact CD2-CB 3.68Å; I251-C300 VanDerWaalsContact CD1-SG 3.6Å; L296-C300 PolarHBondContact O-N 3.07Å; L296-C300 PolarHBondContact O-SG 2.73Å; G297-C300 PolarHBondContact O-N 2.89Å; A298-C300 VanDerWaalsContact C-N 3.32Å; A298-C300 PolarHBondContact O-N 3.35Å; C300-I302 PolarHBondContact O-N 3.49Å; C300-S303 PolarHBondContact O-N 3.15Å; C300-Q304 PolarHBondContact O-N 3.21Å
301	S	98.9	Very high	98.7	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-41.7	178.3	179.3	0	0	0	0	112.7	G297 A298 K305	G297-S301 WeakPolarHBondContact O-CB 3.37Å; G297-S301 PolarHBondContact O-N 3.17Å; A298-S301 PolarHBondContact O-N 2.71Å; S301-K305 WeakPolarHBondContact O-CG 3.47Å; S301-K305 PolarHBondContact O-N 2.76Å
302	I	98.8	Very high	98.7	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.082	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-48.5	174.4	-69.8	161	0	0	0	110	R64 V65 A298 C300 Q304 K305 E306 R404	R64-I302 HydrophobicContact CB-CD1 3.68Å; V65-I302 HydrophobicContact CG2-CD1 3.73Å; A298-I302 WeakPolarHBondContact O-CD1 3.3Å; A298-I302 VanDerWaalsContact O-CG1 3.3Å; A298-I302 WeakPolarHBondContact O-CG1 3.48Å; A298-I302 PolarHBondContact O-N 3.38Å; C300-I302 PolarHBondContact O-N 3.49Å; I302-Q304 VanDerWaalsContact C-N 3.27Å; I302-Q304 PolarHBondContact O-N 3.18Å; I302-K305 PolarHBondContact O-N 2.83Å; I302-E306 HydrophobicContact CG2-CG 4.41Å; I302-E306 WeakPolarHBondContact CG2-OE2 3.43Å; I302-E306 PolarHBondContact O-N 2.98Å; I302-R404 VanDerWaalsContact CG2-NH1 3.34Å
303	S	98.4	Very high	98.7	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-40.7	179.6	-57.9	0	0	0	0	111.2	A299 C300 K305 E306 M307	A299-S303 VanDerWaalsContact O-CB 3.3Å; A299-S303 WeakPolarHBondContact O-CB 3.3Å; A299-S303 PolarHBondContact O-N 2.73Å; A299-S303 PolarHBondContact O-OG 3.44Å; C300-S303 PolarHBondContact O-N 3.15Å; S303-K305 PolarHBondContact O-N 3.45Å; S303-E306 PolarHBondContact O-N 3.43Å; S303-M307 WeakPolarHBondContact O-CA 3.39Å; S303-M307 WeakPolarHBondContact O-CB 3.35Å; S303-M307 PolarHBondContact O-N 3.38Å
304	Q	98.2	Very high	98.6	Very high	98 Å²	98	45.6 Å²	45.6	46%	0.458	21%	0.21	S	C	.	.	H	α-helix	trans	-57.7	-34.3	176.5	-168	173	25.3	0	0	113.3	D104 L105 C300 I302	D104-Q304 PolarHBondContact O-NE2 3.46Å; L105-Q304 HydrophobicContact CD1-CB 3.84Å; L105-Q304 HydrophobicContact CD1-CG 4.29Å; C300-Q304 PolarHBondContact O-N 3.21Å; I302-Q304 VanDerWaalsContact C-N 3.27Å; I302-Q304 PolarHBondContact O-N 3.18Å
305	K	98.6	Very high	98.6	Very high	164 Å²	164	46.2 Å²	46.2	71%	0.713	22%	0.215	S	C	*	.	H	α-helix	trans	-84.1	-35.6	-179.2	-65	171.1	-174.3	175.3	0	112.8	S301 I302 S303	S301-K305 WeakPolarHBondContact O-CG 3.47Å; S301-K305 PolarHBondContact O-N 2.76Å; I302-K305 PolarHBondContact O-N 2.83Å; S303-K305 PolarHBondContact O-N 3.45Å
306	E	98.4	Very high	98.6	Very high	47 Å²	47	49.8 Å²	49.8	22%	0.22	23%	0.233	C	C	.	.	H	α-helix	trans	-100.1	-9.4	-171.7	-65.2	-173.3	166	0	0	113.6	R64 I302 S303 E308 Y309 D310 R404	R64-E306 IonicContact CZ-OE1 3.72Å; R64-E306 VanDerWaalsContact CZ-OE1 3.24Å; R64-E306 IonicContact CZ-OE2 3.94Å; R64-E306 IonicContact NH1-OE1 3.56Å; R64-E306 PolarHBondContact NH1-OE1 3.19Å; R64-E306 IonicContact NH1-OE2 2.73Å; R64-E306 IonicContact NH2-OE1 3.58Å; R64-E306 PolarHBondContact NH2-OE1 2.89Å; R64-E306 IonicContact NH2-OE2 3.38Å; R64-E306 PolarHBondContact NH2-OE2 3.24Å; I302-E306 HydrophobicContact CG2-CG 4.41Å; I302-E306 WeakPolarHBondContact CG2-OE2 3.43Å; I302-E306 PolarHBondContact O-N 2.98Å; S303-E306 PolarHBondContact O-N 3.43Å; E306-E308 VanDerWaalsContact C-N 3.29Å; E306-E308 PolarHBondContact O-N 2.93Å; E306-E308 VanDerWaalsContact O-N 3.17Å; E306-Y309 PolarHBondContact O-N 2.89Å; E306-Y309 VanDerWaalsContact O-N 3.11Å; E306-D310 WeakPolarHBondContact O-CB 3.36Å; E306-D310 PolarHBondContact O-N 2.96Å; E306-R404 IonicContact OE2-CZ 3.65Å; E306-R404 IonicContact OE2-NE 3.51Å; E306-R404 PolarHBondContact OE2-NE 2.94Å; E306-R404 VanDerWaalsContact OE2-NE 3.16Å; E306-R404 IonicContact OE2-NH1 2.76Å; E306-R404 PolarHBondContact OE2-NH1 3.23Å; E306-R404 IonicContact OE2-NH2 2.83Å
307	M	98.4	Very high	98.6	Very high	26 Å²	26	49.8 Å²	49.8	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-50	-47.2	-173.3	-171.9	-177.3	-54.5	0	0	112.9	L105 P233 S303 H311	L105-M307 HydrophobicContact CD1-CE 3.66Å; P233-M307 HydrophobicContact CG-SD 4.39Å; S303-M307 WeakPolarHBondContact O-CA 3.39Å; S303-M307 WeakPolarHBondContact O-CB 3.35Å; S303-M307 PolarHBondContact O-N 3.38Å; M307-H311 WeakPolarHBondContact O-CB 3.34Å; M307-H311 PolarHBondContact O-N 2.92Å
308	E	98.5	Very high	98.6	Very high	144 Å²	144	49.8 Å²	49.8	67%	0.673	23%	0.233	S	C	*	.	H	α-helix	trans	-65.5	-47.5	-178.2	-176.2	175.4	-174.7	0	0	111.8	E306 H311 Q312	E306-E308 VanDerWaalsContact C-N 3.29Å; E306-E308 PolarHBondContact O-N 2.93Å; E306-E308 VanDerWaalsContact O-N 3.17Å; E308-H311 PolarHBondContact O-N 3.48Å; E308-Q312 WeakPolarHBondContact O-CG 3.39Å; E308-Q312 PolarHBondContact O-N 2.92Å
309	Y	98.6	Very high	98.5	Very high	142 Å²	142	52.8 Å²	52.8	56%	0.557	25%	0.247	S	C	*	.	H	α-helix	trans	-61.6	-48.9	177	173.2	-92.9	0	0	0	111.6	E306 H311 Q312 R313	E306-Y309 PolarHBondContact O-N 2.89Å; E306-Y309 VanDerWaalsContact O-N 3.11Å; Y309-H311 VanDerWaalsContact C-N 3.31Å; Y309-H311 PolarHBondContact O-N 3.19Å; Y309-Q312 PolarHBondContact O-N 2.71Å; Y309-R313 WeakPolarHBondContact O-CB 3.44Å; Y309-R313 PolarHBondContact O-N 2.93Å
310	D	98.4	Very high	98.5	Very high	15 Å²	15	57.4 Å²	57.4	8%	0.08	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-44.2	178.5	-78	-12.6	0	0	0	110.3	E306 R313 V314 R404	E306-D310 WeakPolarHBondContact O-CB 3.36Å; E306-D310 PolarHBondContact O-N 2.96Å; D310-R313 PolarHBondContact O-N 3.3Å; D310-V314 VanDerWaalsContact O-CB 3.22Å; D310-V314 WeakPolarHBondContact O-CB 3.34Å; D310-V314 WeakPolarHBondContact O-CG2 3.4Å; D310-V314 PolarHBondContact O-N 3.02Å; D310-R404 IonicContact OD1-NE 3.82Å; D310-R404 IonicContact OD2-CZ 3.95Å; D310-R404 VanDerWaalsContact OD2-CZ 3.23Å; D310-R404 IonicContact OD2-NE 3.23Å; D310-R404 PolarHBondContact OD2-NE 3.42Å; D310-R404 IonicContact OD2-NH2 3.17Å; D310-R404 PolarHBondContact OD2-NH2 2.89Å
311	H	98.4	Very high	98.5	Very high	64 Å²	64	57.4 Å²	57.4	30%	0.296	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-44.9	-179.9	-164.8	99.9	0	0	0	111.7	K231 M307 E308 Y309 S315	K231-H311 PolarHBondContact O-ND1 3.3Å; M307-H311 WeakPolarHBondContact O-CB 3.34Å; M307-H311 PolarHBondContact O-N 2.92Å; E308-H311 PolarHBondContact O-N 3.48Å; Y309-H311 VanDerWaalsContact C-N 3.31Å; Y309-H311 PolarHBondContact O-N 3.19Å; H311-S315 VanDerWaalsContact O-CB 3.27Å; H311-S315 WeakPolarHBondContact O-CB 3.34Å; H311-S315 PolarHBondContact O-N 3.44Å; H311-S315 PolarHBondContact O-OG 3.47Å
312	Q	98.5	Very high	98.4	Very high	118 Å²	118	57 Å²	57	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-62.7	-46.9	176.8	-70.9	174.6	10	0	0	111.5	E308 Y309 S315 M316	E308-Q312 WeakPolarHBondContact O-CG 3.39Å; E308-Q312 PolarHBondContact O-N 2.92Å; Y309-Q312 PolarHBondContact O-N 2.71Å; Q312-S315 PolarHBondContact O-N 3.31Å; Q312-M316 PolarHBondContact O-N 2.91Å
313	R	98.4	Very high	98.4	Very high	66 Å²	66	62.8 Å²	62.8	25%	0.249	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-47.6	180	-176	175.5	171.7	76.8	8	111.9	Y309 D310 S315 M316 L317 T406	Y309-R313 WeakPolarHBondContact O-CB 3.44Å; Y309-R313 PolarHBondContact O-N 2.93Å; D310-R313 PolarHBondContact O-N 3.3Å; R313-S315 VanDerWaalsContact C-N 3.3Å; R313-S315 PolarHBondContact O-N 3.29Å; R313-M316 PolarHBondContact O-N 3.08Å; R313-L317 HydrophobicContact CG-CD1 4.25Å; R313-L317 WeakPolarHBondContact O-CG 3.16Å; R313-L317 PolarHBondContact O-N 3.22Å; R313-T406 PolarHBondContact NH2-O 2.67Å; R313-T406 VanDerWaalsContact NH2-O 3.15Å
314	V	98.4	Very high	98.4	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-38.9	177.1	169.8	0	0	0	0	110.9	D310 L317 A318 P343 I402	D310-V314 VanDerWaalsContact O-CB 3.22Å; D310-V314 WeakPolarHBondContact O-CB 3.34Å; D310-V314 WeakPolarHBondContact O-CG2 3.4Å; D310-V314 PolarHBondContact O-N 3.02Å; V314-L317 PolarHBondContact O-N 2.92Å; V314-A318 WeakPolarHBondContact O-CB 3.29Å; V314-A318 PolarHBondContact O-N 3.05Å; V314-P343 HydrophobicContact CG1-CB 4.4Å; V314-P343 HydrophobicContact CG1-CG 4.27Å; V314-I402 HydrophobicContact CB-CG2 4.5Å; V314-I402 HydrophobicContact CG1-CB 4.35Å; V314-I402 HydrophobicContact CG1-CG2 4.09Å; V314-I402 HydrophobicContact CG2-CG2 4.29Å
315	S	98.5	Very high	98.3	Very high	28 Å²	28	60.5 Å²	60.5	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-45.8	175.6	-60.7	0	0	0	0	112.2	H311 Q312 R313 A318 N319 P343	H311-S315 VanDerWaalsContact O-CB 3.27Å; H311-S315 WeakPolarHBondContact O-CB 3.34Å; H311-S315 PolarHBondContact O-N 3.44Å; H311-S315 PolarHBondContact O-OG 3.47Å; Q312-S315 PolarHBondContact O-N 3.31Å; R313-S315 VanDerWaalsContact C-N 3.3Å; R313-S315 PolarHBondContact O-N 3.29Å; S315-A318 PolarHBondContact O-N 3.37Å; S315-N319 WeakPolarHBondContact O-CB 3.35Å; S315-N319 VanDerWaalsContact O-CG 3.23Å; S315-N319 PolarHBondContact O-N 3.25Å; S315-N319 PolarHBondContact O-ND2 3.15Å; S315-P343 WeakPolarHBondContact OG-CG 3.39Å
316	M	98.6	Very high	98.3	Very high	75 Å²	75	56.3 Å²	56.3	37%	0.369	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-48.9	176.7	178.5	-80.1	-71.3	0	0	111.3	Q312 R313 A318 N319 R320 E408	Q312-M316 PolarHBondContact O-N 2.91Å; R313-M316 PolarHBondContact O-N 3.08Å; M316-A318 PolarHBondContact O-N 3.09Å; M316-N319 PolarHBondContact O-N 3.36Å; M316-R320 WeakPolarHBondContact O-CB 3.35Å; M316-R320 PolarHBondContact O-N 3.27Å; M316-E408 HydrophobicContact CE-CG 3.95Å; M316-E408 HydrophobicContact SD-CG 4.49Å
317	L	98.8	Very high	98.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-41.7	179.5	-69.6	177.1	0	0	0	112.3	R313 V314 R320 L321 I402 T406 E408 V411	R313-L317 HydrophobicContact CG-CD1 4.25Å; R313-L317 WeakPolarHBondContact O-CG 3.16Å; R313-L317 PolarHBondContact O-N 3.22Å; V314-L317 PolarHBondContact O-N 2.92Å; L317-R320 PolarHBondContact O-N 2.94Å; L317-L321 PolarHBondContact O-N 3.41Å; L317-I402 HydrophobicContact CB-CD1 4.28Å; L317-I402 HydrophobicContact CB-CG2 3.97Å; L317-I402 HydrophobicContact CD1-CG2 4.02Å; L317-T406 HydrophobicContact CD1-CG2 4.26Å; L317-T406 WeakPolarHBondContact CD1-O 3.36Å; L317-E408 HydrophobicContact CD2-CB 4.29Å; L317-E408 HydrophobicContact CD2-CG 3.57Å; L317-V411 HydrophobicContact CB-CG2 4.11Å; L317-V411 HydrophobicContact CD2-CG2 4.04Å
318	A	98.1	Very high	98.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-46.8	177	0	0	0	0	0	112.1	V314 S315 M316 R320 L321 V322 P343 I346 I402	V314-A318 WeakPolarHBondContact O-CB 3.29Å; V314-A318 PolarHBondContact O-N 3.05Å; S315-A318 PolarHBondContact O-N 3.37Å; M316-A318 PolarHBondContact O-N 3.09Å; A318-R320 VanDerWaalsContact C-N 3.33Å; A318-R320 PolarHBondContact O-N 3.01Å; A318-L321 PolarHBondContact O-N 3.48Å; A318-V322 WeakPolarHBondContact O-CG2 3.28Å; A318-V322 PolarHBondContact O-N 3.32Å; A318-P343 HydrophobicContact CB-CB 4.07Å; A318-P343 WeakPolarHBondContact CB-O 3.46Å; A318-I346 HydrophobicContact CB-CD1 3.7Å; A318-I346 HydrophobicContact CB-CG1 4.35Å; A318-I402 HydrophobicContact CB-CD1 4.19Å
319	N	98.1	Very high	98	Very high	74 Å²	74	55.2 Å²	55.2	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-40.8	177.7	-71.1	-18.2	0	0	0	111.2	S315 M316 L321 V322 Q323	S315-N319 WeakPolarHBondContact O-CB 3.35Å; S315-N319 VanDerWaalsContact O-CG 3.23Å; S315-N319 PolarHBondContact O-N 3.25Å; S315-N319 PolarHBondContact O-ND2 3.15Å; M316-N319 PolarHBondContact O-N 3.36Å; N319-L321 PolarHBondContact O-N 2.62Å; N319-V322 PolarHBondContact O-N 2.93Å; N319-Q323 VanDerWaalsContact O-CB 3.25Å; N319-Q323 WeakPolarHBondContact O-CB 3.44Å; N319-Q323 VanDerWaalsContact O-CG 3.25Å; N319-Q323 WeakPolarHBondContact O-CG 3.45Å; N319-Q323 PolarHBondContact O-N 3.31Å
320	R	98.4	Very high	97.8	Very high	100 Å²	100	52 Å²	52	38%	0.377	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-47.7	174.7	-174.6	-178.7	-175.4	83.9	-1.9	111.8	M316 L317 A318 K324 V411 D412	M316-R320 WeakPolarHBondContact O-CB 3.35Å; M316-R320 PolarHBondContact O-N 3.27Å; L317-R320 PolarHBondContact O-N 2.94Å; A318-R320 VanDerWaalsContact C-N 3.33Å; A318-R320 PolarHBondContact O-N 3.01Å; R320-K324 VanDerWaalsContact O-CB 3.29Å; R320-K324 WeakPolarHBondContact O-CB 3.4Å; R320-K324 PolarHBondContact O-N 2.87Å; R320-K324 VanDerWaalsContact O-N 3.14Å; R320-V411 HydrophobicContact CB-CG1 4.24Å; R320-V411 HydrophobicContact CG-CG1 4.11Å; R320-D412 IonicContact CZ-OD1 2.85Å; R320-D412 VanDerWaalsContact CZ-OD1 3.23Å; R320-D412 IonicContact CZ-OD2 3.76Å; R320-D412 VanDerWaalsContact NE-CG 3.32Å; R320-D412 IonicContact NE-OD1 2.73Å; R320-D412 PolarHBondContact NE-OD1 3.02Å; R320-D412 IonicContact NE-OD2 2.78Å; R320-D412 PolarHBondContact NE-OD2 3.24Å; R320-D412 IonicContact NH2-OD1 3.76Å; R320-D412 PolarHBondContact NH2-OD1 2.99Å; R320-D412 IonicContact NH2-OD2 2.96Å; R320-D412 PolarHBondContact NH2-OD2 3.23Å
321	L	98.5	Very high	97.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-53.1	178.3	-175.3	67.6	0	0	0	111.2	M53 L317 A318 N319 K324 I325 I346 F400 I402 V411 T414 A415	M53-L321 HydrophobicContact CE-CD2 4.2Å; L317-L321 PolarHBondContact O-N 3.41Å; A318-L321 PolarHBondContact O-N 3.48Å; N319-L321 PolarHBondContact O-N 2.62Å; L321-K324 PolarHBondContact O-N 3.39Å; L321-I325 HydrophobicContact CD1-CD1 3.82Å; L321-I325 HydrophobicContact CG-CD1 3.99Å; L321-I325 WeakPolarHBondContact O-CG1 3.37Å; L321-I325 PolarHBondContact O-N 3.4Å; L321-I325 VanDerWaalsContact O-N 3.09Å; L321-I346 HydrophobicContact CD2-CD1 3.84Å; L321-F400 HydrophobicContact CD2-CB 3.72Å; L321-F400 HydrophobicContact CD2-CD1 4.02Å; L321-F400 HydrophobicContact CD2-CG 3.85Å; L321-I402 HydrophobicContact CD2-CD1 4.22Å; L321-V411 HydrophobicContact CB-CG1 3.83Å; L321-V411 HydrophobicContact CD1-CG1 4.19Å; L321-T414 HydrophobicContact CD1-CG2 4.27Å; L321-A415 HydrophobicContact CD1-CB 4.02Å
322	V	97.8	Very high	97.5	Very high	16 Å²	16	52.7 Å²	52.7	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-48.3	-175.4	172.6	0	0	0	0	111.1	A318 N319 K324 I325 M326 I346	A318-V322 WeakPolarHBondContact O-CG2 3.28Å; A318-V322 PolarHBondContact O-N 3.32Å; N319-V322 PolarHBondContact O-N 2.93Å; V322-K324 PolarHBondContact O-N 3.43Å; V322-I325 PolarHBondContact O-N 2.77Å; V322-M326 HydrophobicContact CG1-CG 4.2Å; V322-M326 HydrophobicContact CG1-SD 3.56Å; V322-M326 VanDerWaalsContact CG1-SD 3.56Å; V322-M326 WeakPolarHBondContact O-CB 3.42Å; V322-M326 WeakPolarHBondContact O-CG 3.46Å; V322-M326 PolarHBondContact O-N 2.86Å; V322-I346 HydrophobicContact CG2-CD1 4.13Å; V322-I346 HydrophobicContact CG2-CG1 4.28Å; V322-I346 HydrophobicContact CG2-CG2 3.67Å
323	Q	97.6	Very high	97.3	Very high	138 Å²	138	50.5 Å²	50.5	65%	0.645	26%	0.262	S	S	*	.	H	α-helix	trans	-62.3	-43	-179.4	-73.1	178.6	-22.1	0	0	111.9	N319 S327	N319-Q323 VanDerWaalsContact O-CB 3.25Å; N319-Q323 WeakPolarHBondContact O-CB 3.44Å; N319-Q323 VanDerWaalsContact O-CG 3.25Å; N319-Q323 WeakPolarHBondContact O-CG 3.45Å; N319-Q323 PolarHBondContact O-N 3.31Å; Q323-S327 VanDerWaalsContact O-CB 3.26Å; Q323-S327 WeakPolarHBondContact O-CB 3.5Å; Q323-S327 PolarHBondContact O-N 3.19Å; Q323-S327 VanDerWaalsContact O-N 3.08Å; Q323-S327 PolarHBondContact O-OG 2.91Å
324	K	98.1	Very high	97.2	Very high	51 Å²	51	49.1 Å²	49.1	22%	0.222	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-42.4	179.5	-169.8	168.1	177.5	-171.5	0	111.8	R320 L321 V322 S327 E328 D412 A415 E416 I419	R320-K324 VanDerWaalsContact O-CB 3.29Å; R320-K324 WeakPolarHBondContact O-CB 3.4Å; R320-K324 PolarHBondContact O-N 2.87Å; R320-K324 VanDerWaalsContact O-N 3.14Å; L321-K324 PolarHBondContact O-N 3.39Å; V322-K324 PolarHBondContact O-N 3.43Å; K324-S327 PolarHBondContact O-OG 3.38Å; K324-E328 WeakPolarHBondContact O-CG 3.41Å; K324-D412 PolarHBondContact NZ-O 2.96Å; K324-D412 IonicContact NZ-OD1 2.74Å; K324-D412 PolarHBondContact NZ-OD1 2.77Å; K324-A415 HydrophobicContact CB-CB 4.16Å; K324-A415 HydrophobicContact CD-CB 3.62Å; K324-A415 HydrophobicContact CG-CB 3.91Å; K324-E416 IonicContact NZ-OE1 3.62Å; K324-E416 PolarHBondContact NZ-OE1 3.12Å; K324-I419 HydrophobicContact CG-CD1 4.19Å
325	I	98	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-51.7	178.8	-69.2	174.6	0	0	0	111.2	L321 V322 S327 E328 I329 V332 L348 F350 F400 A415 C418	L321-I325 HydrophobicContact CD1-CD1 3.82Å; L321-I325 HydrophobicContact CG-CD1 3.99Å; L321-I325 WeakPolarHBondContact O-CG1 3.37Å; L321-I325 PolarHBondContact O-N 3.4Å; L321-I325 VanDerWaalsContact O-N 3.09Å; V322-I325 PolarHBondContact O-N 2.77Å; I325-S327 VanDerWaalsContact C-N 3.32Å; I325-S327 PolarHBondContact O-N 3.16Å; I325-E328 PolarHBondContact O-N 2.91Å; I325-I329 HydrophobicContact CG2-CD1 3.9Å; I325-I329 WeakPolarHBondContact O-CB 3.46Å; I325-I329 WeakPolarHBondContact O-CG1 3.03Å; I325-I329 PolarHBondContact O-N 3.05Å; I325-I329 VanDerWaalsContact O-N 3.1Å; I325-V332 HydrophobicContact CG2-CG1 4.45Å; I325-L348 HydrophobicContact CD1-CD1 4.24Å; I325-L348 HydrophobicContact CG2-CD1 4.03Å; I325-F350 HydrophobicContact CG2-CE1 3.72Å; I325-F350 HydrophobicContact CG2-CZ 4.15Å; I325-F400 HydrophobicContact CD1-CZ 4.42Å; I325-A415 HydrophobicContact CG1-CB 4.18Å; I325-C418 HydrophobicContact CD1-CB 4.27Å
326	M	97.3	Very high	97	Very high	76 Å²	76	48.7 Å²	48.7	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-74.1	-19.9	-172.1	-64	-174.2	94.3	0	0	113.8	V322 V332 M334	V322-M326 HydrophobicContact CG1-CG 4.2Å; V322-M326 HydrophobicContact CG1-SD 3.56Å; V322-M326 VanDerWaalsContact CG1-SD 3.56Å; V322-M326 WeakPolarHBondContact O-CB 3.42Å; V322-M326 WeakPolarHBondContact O-CG 3.46Å; V322-M326 PolarHBondContact O-N 2.86Å; M326-V332 HydrophobicContact CE-CG1 4.44Å; M326-V332 WeakPolarHBondContact CE-O 3.36Å; M326-V332 HydrophobicContact CG-CB 4.45Å; M326-V332 HydrophobicContact CG-CG1 4.15Å; M326-M334 HydrophobicContact CE-CB 4.49Å
327	S	97.1	Very high	96.9	Very high	92 Å²	92	46.2 Å²	46.2	64%	0.643	24%	0.244	S	C	*	.	H	α-helix	trans	-80.1	-23.8	174	56.5	0	0	0	0	113.5	Q323 K324 I325	Q323-S327 VanDerWaalsContact O-CB 3.26Å; Q323-S327 WeakPolarHBondContact O-CB 3.5Å; Q323-S327 PolarHBondContact O-N 3.19Å; Q323-S327 VanDerWaalsContact O-N 3.08Å; Q323-S327 PolarHBondContact O-OG 2.91Å; K324-S327 PolarHBondContact O-OG 3.38Å; I325-S327 VanDerWaalsContact C-N 3.32Å; I325-S327 PolarHBondContact O-N 3.16Å
328	E	97.1	Very high	96.5	Very high	98 Å²	98	50.4 Å²	50.4	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-103.9	-17.6	-173.9	-73	-72.4	163.7	0	0	113.5	K324 I325 I419 R423	K324-E328 WeakPolarHBondContact O-CG 3.41Å; I325-E328 PolarHBondContact O-N 2.91Å; E328-I419 HydrophobicContact CB-CD1 3.84Å; E328-I419 HydrophobicContact CB-CG1 4.11Å; E328-I419 HydrophobicContact CB-CG2 4.12Å; E328-I419 HydrophobicContact CG-CD1 4.05Å; E328-R423 PolarHBondContact O-NH2 3.24Å; E328-R423 IonicContact OE2-CZ 3.8Å; E328-R423 IonicContact OE2-NH1 3.25Å; E328-R423 IonicContact OE2-NH2 2.8Å; E328-R423 PolarHBondContact OE2-NH2 3.43Å
329	I	95.8	Very high	96.3	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	31%	0.308	C	S	.	.	S	Bend	trans	-124.1	117	-176.5	-49.6	177.2	0	0	0	109	I325 V332 F350 I419 V422	I325-I329 HydrophobicContact CG2-CD1 3.9Å; I325-I329 WeakPolarHBondContact O-CB 3.46Å; I325-I329 WeakPolarHBondContact O-CG1 3.03Å; I325-I329 PolarHBondContact O-N 3.05Å; I325-I329 VanDerWaalsContact O-N 3.1Å; I329-V332 HydrophobicContact CB-CG2 3.7Å; I329-V332 HydrophobicContact CG2-CG2 3.48Å; I329-V332 VanDerWaalsContact CG2-CG2 3.48Å; I329-F350 HydrophobicContact CD1-CD1 4.46Å; I329-F350 HydrophobicContact CD1-CE1 4.15Å; I329-I419 HydrophobicContact CD1-CB 4.21Å; I329-I419 HydrophobicContact CD1-CG1 3.8Å; I329-I419 HydrophobicContact CG1-CB 4.34Å; I329-I419 HydrophobicContact CG1-CG1 3.92Å; I329-I419 HydrophobicContact CG1-CG2 4.24Å; I329-V422 HydrophobicContact CD1-CB 4.01Å; I329-V422 HydrophobicContact CD1-CG1 4.08Å; I329-V422 HydrophobicContact CD1-CG2 4.22Å; I329-V422 HydrophobicContact CG2-CG1 3.63Å
330	P	94.4	Very high	96.2	Very high	75 Å²	75	58.5 Å²	58.5	49%	0.487	31%	0.307	S	S	.	.	S	Bend	trans	-70.9	162.4	172.6	30.6	-34.6	0	0	0	111.1	V332 R426 W432	P330-V332 VanDerWaalsContact C-N 3.29Å; P330-V332 PolarHBondContact O-N 3.23Å; P330-R426 VanDerWaalsContact O-CZ 3.26Å; P330-R426 PolarHBondContact O-NH1 2.81Å; P330-R426 PolarHBondContact O-NH2 3.1Å; P330-W432 HydrophobicContact CG-CH2 4Å
331	D	93.9	Very high	96.1	Very high	78 Å²	78	55.4 Å²	55.4	42%	0.417	30%	0.295	S	S	.	.	S	Bend	trans	56.5	41.5	174.7	-46.7	-60.8	0	0	0	113.6	A351 Y352 R426	D331-A351 HydrophobicContact CB-CB 3.84Å; D331-A351 WeakPolarHBondContact O-CB 3.32Å; D331-A351 PolarHBondContact O-N 3.25Å; D331-A351 VanDerWaalsContact O-N 3.12Å; D331-Y352 HydrophobicContact CB-CE2 3.89Å; D331-R426 PolarHBondContact O-NH2 3.27Å
332	V	95.8	Very high	96.1	Very high	16 Å²	16	55.9 Å²	55.9	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.6	168.5	-178.3	0	0	0	0	108.5	I325 M326 I329 P330 L348 S349 F350	I325-V332 HydrophobicContact CG2-CG1 4.45Å; M326-V332 HydrophobicContact CE-CG1 4.44Å; M326-V332 WeakPolarHBondContact CE-O 3.36Å; M326-V332 HydrophobicContact CG-CB 4.45Å; M326-V332 HydrophobicContact CG-CG1 4.15Å; I329-V332 HydrophobicContact CB-CG2 3.7Å; I329-V332 HydrophobicContact CG2-CG2 3.48Å; I329-V332 VanDerWaalsContact CG2-CG2 3.48Å; P330-V332 VanDerWaalsContact C-N 3.29Å; P330-V332 PolarHBondContact O-N 3.23Å; V332-L348 HydrophobicContact CG1-CB 4.05Å; V332-L348 HydrophobicContact CG1-CD1 4.28Å; V332-L348 HydrophobicContact CG1-CD2 4.45Å; V332-L348 HydrophobicContact CG1-CG 4.48Å; V332-S349 WeakPolarHBondContact CA-O 3.36Å; V332-F350 HydrophobicContact CG1-CD1 4.22Å; V332-F350 HydrophobicContact CG1-CE1 4.05Å; V332-F350 HydrophobicContact CG2-CD1 3.72Å; V332-F350 HydrophobicContact CG2-CE1 4.01Å
333	V	94.9	Very high	96.1	Very high	72 Å²	72	55.6 Å²	55.6	44%	0.436	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.5	-179.3	-179.8	0	0	0	0	109.2	L348 S349	V333-L348 CarbonylContact O-C 3.39Å; V333-L348 WeakPolarHBondContact O-CA 3.46Å; V333-S349 PolarHBondContact N-O 2.97Å; V333-S349 PolarHBondContact O-N 2.77Å
334	M	95.8	Very high	96.1	Very high	37 Å²	37	49 Å²	49	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.9	169.8	-177.7	167.1	-178.2	0	0	110	M326 L348	M326-M334 HydrophobicContact CE-CB 4.49Å; M334-L348 HydrophobicContact CB-CD2 3.83Å; M334-L348 HydrophobicContact CG-CD2 4.04Å
335	N	96.5	Very high	96.1	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.053	26%	0.255	C	S	.	.			trans	-87.4	125.8	177.9	-63.9	-49	0	0	0	110.3	I201 N347 S349 L384 I387	I201-N335 HydrophobicContact CG2-CB 3.89Å; N335-N347 HydrophobicContact CB-CB 4.13Å; N335-N347 PolarHBondContact N-O 3.25Å; N335-N347 PolarHBondContact ND2-OD1 2.76Å; N335-S349 PolarHBondContact ND2-OG 3.44Å; N335-L384 HydrophobicContact CB-CD2 3.7Å; N335-I387 HydrophobicContact CB-CD1 4.13Å
336	G	95.7	Very high	96.1	Very high	10 Å²	10	46.7 Å²	46.7	10%	0.103	26%	0.255	C	S	.	.	S	Bend	trans	98.5	173.4	-176.6	0	0	0	0	0	113.8	N173 V203	N173-G336 CarbonylContact O-C 3.6Å; N173-G336 WeakPolarHBondContact O-CA 3.47Å; V203-G336 VanDerWaalsContact CG2-CA 3.49Å
337	D	96.9	Very high	96.1	Very high	23 Å²	23	43 Å²	43	12%	0.123	24%	0.237	C	C	.	.			trans	-70.4	127.5	-178.8	-163.4	-78.5	0	0	0	112.1	N173 L175 V203 E339 Q340 R341	N173-D337 HydrophobicContact CB-CB 3.98Å; N173-D337 PolarHBondContact ND2-OD2 3.31Å; N173-D337 PolarHBondContact O-N 3.46Å; L175-D337 HydrophobicContact CD1-CB 4.49Å; L175-D337 HydrophobicContact CG-CB 4.47Å; V203-D337 HydrophobicContact CG2-CB 4.5Å; D337-E339 VanDerWaalsContact C-N 3.31Å; D337-E339 PolarHBondContact O-N 3.09Å; D337-E339 PolarHBondContact OD1-N 2.87Å; D337-Q340 HydrophobicContact CB-CB 4.15Å; D337-Q340 PolarHBondContact OD1-N 3.1Å; D337-R341 WeakPolarHBondContact O-CB 3.36Å; D337-R341 WeakPolarHBondContact O-CD 2.97Å; D337-R341 WeakPolarHBondContact O-CG 3.39Å
338	P	91.1	Very high	96	Very high	88 Å²	88	38.7 Å²	38.7	57%	0.571	21%	0.207	S	C	*	.	S	Bend	trans	-70.3	-25.4	-176.8	27.4	-34.2	0	0	0	113.6	R341	P338-R341 PolarHBondContact O-NE 3.3Å; P338-R341 VanDerWaalsContact O-NE 3.08Å
339	E	93.6	Very high	96	Very high	165 Å²	165	34 Å²	34	77%	0.771	19%	0.185	S	C	*	.	S	Bend	trans	-98.6	-46.4	-177.4	-61.5	-172.3	171.2	0	0	111.5	D337 R341	D337-E339 VanDerWaalsContact C-N 3.31Å; D337-E339 PolarHBondContact O-N 3.09Å; D337-E339 PolarHBondContact OD1-N 2.87Å; E339-R341 VanDerWaalsContact C-N 3.3Å; E339-R341 PolarHBondContact O-N 2.76Å; E339-R341 VanDerWaalsContact O-N 3.11Å
340	Q	96.4	Very high	95.9	Very high	80 Å²	80	33.8 Å²	33.8	37%	0.374	18%	0.184	S	C	.	.	S	Bend	trans	-89.2	61.6	-179	-63.4	-63.5	-13.5	0	0	111.9	L175 V203 K204 D337	L175-Q340 HydrophobicContact CD1-CB 4.27Å; L175-Q340 HydrophobicContact CD1-CG 4.29Å; L175-Q340 HydrophobicContact CD2-CB 4.15Å; V203-Q340 WeakPolarHBondContact CA-O 3.47Å; K204-Q340 VanDerWaalsContact CE-OE1 3.24Å; K204-Q340 PolarHBondContact N-O 2.54Å; D337-Q340 HydrophobicContact CB-CB 4.15Å; D337-Q340 PolarHBondContact OD1-N 3.1Å
341	R	96.3	Very high	95.8	Very high	34 Å²	34	30.7 Å²	30.7	13%	0.128	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-139.9	158.9	179.3	63.4	177.3	-175.1	112.8	-2.7	113.6	G202 D337 P338 E339	G202-R341 CarbonylContact O-C 3.51Å; G202-R341 VanDerWaalsContact O-CA 3.3Å; G202-R341 WeakPolarHBondContact O-CA 3.23Å; D337-R341 WeakPolarHBondContact O-CB 3.36Å; D337-R341 WeakPolarHBondContact O-CD 2.97Å; D337-R341 WeakPolarHBondContact O-CG 3.39Å; P338-R341 PolarHBondContact O-NE 3.3Å; P338-R341 VanDerWaalsContact O-NE 3.08Å; E339-R341 VanDerWaalsContact C-N 3.3Å; E339-R341 PolarHBondContact O-N 2.76Å; E339-R341 VanDerWaalsContact O-N 3.11Å
342	Y	98.2	Very high	95.6	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.043	16%	0.155	C	C	.	.			trans	-79.4	121.5	162.4	172.8	-112.2	0	0	0	109.7	G202 K231 I232 G344 C345	G202-Y342 PolarHBondContact O-N 2.95Å; K231-Y342 HydrophobicContact CB-CD2 4.07Å; K231-Y342 HydrophobicContact CB-CE2 3.63Å; K231-Y342 HydrophobicContact CD-CD1 4.41Å; K231-Y342 HydrophobicContact CD-CD2 4.48Å; K231-Y342 HydrophobicContact CD-CE1 3.77Å; K231-Y342 HydrophobicContact CD-CE2 3.89Å; K231-Y342 VanDerWaalsContact CD-CZ 3.5Å; K231-Y342 HydrophobicContact CG-CE2 4.19Å; I232-Y342 HydrophobicContact CG2-CD2 4.45Å; Y342-G344 VanDerWaalsContact C-N 3.28Å; Y342-G344 PolarHBondContact O-N 2.84Å; Y342-C345 HydrophobicContact CD1-CB 4.07Å; Y342-C345 PolarHBondContact O-N 3.14Å
343	P	97.7	Very high	95.3	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.065	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.3	-172.3	21.7	-34.4	0	0	0	114.1	V314 S315 A318 C345 I346	V314-P343 HydrophobicContact CG1-CB 4.4Å; V314-P343 HydrophobicContact CG1-CG 4.27Å; S315-P343 WeakPolarHBondContact OG-CG 3.39Å; A318-P343 HydrophobicContact CB-CB 4.07Å; A318-P343 WeakPolarHBondContact CB-O 3.46Å; P343-C345 PolarHBondContact O-N 2.73Å; P343-I346 WeakPolarHBondContact O-CG1 3.47Å
344	G	97.6	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	2.5	-177.6	0	0	0	0	0	115	Q56 Y342 G401 I402	Q56-G344 PolarHBondContact NE2-O 2.71Å; Q56-G344 PolarHBondContact OE1-O 2.71Å; Y342-G344 VanDerWaalsContact C-N 3.28Å; Y342-G344 PolarHBondContact O-N 2.84Å; G344-G401 WeakPolarHBondContact O-CA 3.34Å; G344-I402 PolarHBondContact O-N 2.88Å
345	C	98.1	Very high	94.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	108.2	171.4	-174.2	0	0	0	0	107.9	Q56 G202 Y342 P343	Q56-C345 HydrophobicContact CG-CB 4.04Å; G202-C345 PolarHBondContact N-SG 2.8Å; Y342-C345 HydrophobicContact CD1-CB 4.07Å; Y342-C345 PolarHBondContact O-N 3.14Å; P343-C345 PolarHBondContact O-N 2.73Å
346	I	97.8	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.8	-177	-59.8	156.2	0	0	0	107.1	A318 L321 V322 P343 L348 R399 F400 I402	A318-I346 HydrophobicContact CB-CD1 3.7Å; A318-I346 HydrophobicContact CB-CG1 4.35Å; L321-I346 HydrophobicContact CD2-CD1 3.84Å; V322-I346 HydrophobicContact CG2-CD1 4.13Å; V322-I346 HydrophobicContact CG2-CG1 4.28Å; V322-I346 HydrophobicContact CG2-CG2 3.67Å; P343-I346 WeakPolarHBondContact O-CG1 3.47Å; I346-L348 HydrophobicContact CG2-CD1 4.32Å; I346-L348 HydrophobicContact CG2-CD2 4.11Å; I346-L348 HydrophobicContact CG2-CG 3.92Å; I346-R399 CarbonylContact O-C 3.54Å; I346-R399 VanDerWaalsContact O-CA 3.31Å; I346-R399 WeakPolarHBondContact O-CA 3.42Å; I346-F400 HydrophobicContact CB-CB 4.27Å; I346-F400 HydrophobicContact CG2-CD2 4.5Å; I346-F400 PolarHBondContact N-O 3.33Å; I346-F400 PolarHBondContact O-N 3.26Å; I346-I402 HydrophobicContact CD1-CD1 3.77Å
347	N	97.3	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.8	177.5	-167.5	-51.8	0	0	0	109	E200 I201 N335 I398	E200-N347 WeakPolarHBondContact O-CB 3.4Å; E200-N347 PolarHBondContact O-ND2 2.96Å; I201-N347 HydrophobicContact CG2-CB 4.13Å; N335-N347 HydrophobicContact CB-CB 4.13Å; N335-N347 PolarHBondContact N-O 3.25Å; N335-N347 PolarHBondContact ND2-OD1 2.76Å; N347-I398 WeakPolarHBondContact CA-O 3.03Å
348	L	96.3	Very high	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.1	-178.5	-57.2	178.6	0	0	0	109.5	I325 V332 V333 M334 I346 F350 S397 I398 F400	I325-L348 HydrophobicContact CD1-CD1 4.24Å; I325-L348 HydrophobicContact CG2-CD1 4.03Å; V332-L348 HydrophobicContact CG1-CB 4.05Å; V332-L348 HydrophobicContact CG1-CD1 4.28Å; V332-L348 HydrophobicContact CG1-CD2 4.45Å; V332-L348 HydrophobicContact CG1-CG 4.48Å; V333-L348 CarbonylContact O-C 3.39Å; V333-L348 WeakPolarHBondContact O-CA 3.46Å; M334-L348 HydrophobicContact CB-CD2 3.83Å; M334-L348 HydrophobicContact CG-CD2 4.04Å; I346-L348 HydrophobicContact CG2-CD1 4.32Å; I346-L348 HydrophobicContact CG2-CD2 4.11Å; I346-L348 HydrophobicContact CG2-CG 3.92Å; L348-F350 HydrophobicContact CB-CE2 3.86Å; L348-F350 HydrophobicContact CB-CZ 3.91Å; L348-F350 HydrophobicContact CD1-CZ 4.17Å; L348-S397 CarbonylContact O-C 3.52Å; L348-S397 WeakPolarHBondContact O-CA 3.35Å; L348-I398 PolarHBondContact N-O 2.78Å; L348-I398 PolarHBondContact O-N 3.46Å; L348-F400 HydrophobicContact CB-CE2 4.47Å; L348-F400 HydrophobicContact CD1-CE2 4.26Å; L348-F400 HydrophobicContact CG-CE2 4.49Å
349	S	95.2	Very high	92.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.8	168	-72.7	0	0	0	0	110.1	V332 V333 N335 L393	V332-S349 WeakPolarHBondContact CA-O 3.36Å; V333-S349 PolarHBondContact N-O 2.97Å; V333-S349 PolarHBondContact O-N 2.77Å; N335-S349 PolarHBondContact ND2-OG 3.44Å; S349-L393 WeakPolarHBondContact CB-O 3.43Å; S349-L393 PolarHBondContact OG-O 2.74Å
350	F	94.8	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	98.8	-179.3	-61.6	-89.7	0	0	0	109.3	I325 I329 V332 L348 V353 L358 S396 I398 F400 C418 V422	I325-F350 HydrophobicContact CG2-CE1 3.72Å; I325-F350 HydrophobicContact CG2-CZ 4.15Å; I329-F350 HydrophobicContact CD1-CD1 4.46Å; I329-F350 HydrophobicContact CD1-CE1 4.15Å; V332-F350 HydrophobicContact CG1-CD1 4.22Å; V332-F350 HydrophobicContact CG1-CE1 4.05Å; V332-F350 HydrophobicContact CG2-CD1 3.72Å; V332-F350 HydrophobicContact CG2-CE1 4.01Å; L348-F350 HydrophobicContact CB-CE2 3.86Å; L348-F350 HydrophobicContact CB-CZ 3.91Å; L348-F350 HydrophobicContact CD1-CZ 4.17Å; F350-V353 HydrophobicContact CB-CB 4.42Å; F350-V353 PolarHBondContact O-N 2.87Å; F350-L358 HydrophobicContact CD2-CD2 3.7Å; F350-L358 HydrophobicContact CE2-CD2 4.07Å; F350-L358 HydrophobicContact CG-CD2 4.09Å; F350-S396 PolarHBondContact N-O 3.42Å; F350-S396 VanDerWaalsContact O-CB 3.24Å; F350-S396 WeakPolarHBondContact O-CB 3.35Å; F350-S396 PolarHBondContact O-OG 3.23Å; F350-I398 HydrophobicContact CD2-CG1 4.17Å; F350-I398 HydrophobicContact CE2-CB 4.1Å; F350-I398 HydrophobicContact CE2-CG1 3.97Å; F350-F400 HydrophobicContact CE2-CE2 4.23Å; F350-F400 HydrophobicContact CE2-CZ 4.38Å; F350-F400 HydrophobicContact CZ-CE2 4.24Å; F350-F400 HydrophobicContact CZ-CZ 4.25Å; F350-C418 VanDerWaalsContact CZ-SG 3.53Å; F350-V422 HydrophobicContact CD1-CG1 4.34Å; F350-V422 HydrophobicContact CD1-CG2 3.72Å; F350-V422 HydrophobicContact CE1-CG2 4.11Å; F350-V422 HydrophobicContact CG-CG2 4.16Å
351	A	92.1	Very high	92.3	Very high	10 Å²	10	28.6 Å²	28.6	8%	0.083	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	146	-178.3	0	0	0	0	0	111.5	D331 V353 L393 R426	D331-A351 HydrophobicContact CB-CB 3.84Å; D331-A351 WeakPolarHBondContact O-CB 3.32Å; D331-A351 PolarHBondContact O-N 3.25Å; D331-A351 VanDerWaalsContact O-N 3.12Å; A351-V353 PolarHBondContact O-N 3.43Å; A351-L393 HydrophobicContact CB-CD2 3.98Å; A351-R426 PolarHBondContact O-NE 2.95Å; A351-R426 PolarHBondContact O-NH2 3.33Å
352	Y	90.6	Very high	92.2	Very high	57 Å²	57	27.1 Å²	27.1	22%	0.224	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	15.3	175.7	-34.6	-67.8	0	0	0	115.4	D331 S429 L431 W432 V435 L441	D331-Y352 HydrophobicContact CB-CE2 3.89Å; Y352-S429 VanDerWaalsContact O-CB 3.29Å; Y352-S429 WeakPolarHBondContact O-CB 3.25Å; Y352-S429 PolarHBondContact O-OG 3.18Å; Y352-L431 HydrophobicContact CD1-CB 4.13Å; Y352-W432 HydrophobicContact CD2-CD2 4.4Å; Y352-W432 AromaticContact CD2-CE3 3.21Å; Y352-W432 HydrophobicContact CD2-CE3 3.21Å; Y352-W432 AromaticContact CD2-CZ3 3.49Å; Y352-W432 HydrophobicContact CD2-CZ3 3.49Å; Y352-W432 VanDerWaalsContact CD2-CZ3 3.49Å; Y352-W432 AromaticContact CE2-CE3 3.71Å; Y352-W432 HydrophobicContact CE2-CE3 3.71Å; Y352-W432 AromaticContact CE2-CZ3 3.6Å; Y352-W432 HydrophobicContact CE2-CZ3 3.6Å; Y352-W432 AromaticContact CG-CE3 3.82Å; Y352-W432 HydrophobicContact CG-CE3 3.82Å; Y352-W432 HydrophobicContact CG-CZ3 4.5Å; Y352-V435 HydrophobicContact CD1-CG2 4.3Å; Y352-V435 HydrophobicContact CE1-CG2 3.63Å; Y352-L441 HydrophobicContact CD1-CD1 4.01Å; Y352-L441 HydrophobicContact CE1-CD1 3.62Å
353	V	89.4	Confident	91.8	Very high	11 Å²	11	34.3 Å²	34.3	7%	0.067	17%	0.172	C	C	.	.	S	Bend	trans	-126	137.1	176.4	177.9	0	0	0	0	109.3	F350 A351 L358 S396 V422 L425 R426	F350-V353 HydrophobicContact CB-CB 4.42Å; F350-V353 PolarHBondContact O-N 2.87Å; A351-V353 PolarHBondContact O-N 3.43Å; V353-L358 HydrophobicContact CG1-CB 4.03Å; V353-L358 HydrophobicContact CG1-CD2 4.44Å; V353-S396 WeakPolarHBondContact O-CB 3.5Å; V353-V422 HydrophobicContact CG2-CG1 4.14Å; V353-L425 HydrophobicContact CG1-CB 3.93Å; V353-L425 HydrophobicContact CG1-CD1 3.63Å; V353-L425 HydrophobicContact CG1-CG 4.41Å; V353-L425 HydrophobicContact CG2-CB 4.22Å; V353-R426 HydrophobicContact CG2-CG 3.6Å
354	E	84.3	Confident	91.6	Very high	111 Å²	111	37.1 Å²	37.1	52%	0.519	19%	0.186	S	C	.	.			trans	-78.5	129.4	171.2	-175	-164.9	-159	0	0	110.6	E356 S357 L358	E354-E356 PolarHBondContact O-N 3.48Å; E354-S357 PolarHBondContact O-N 2.75Å; E354-S357 PolarHBondContact OE2-OG 3.29Å; E354-L358 PolarHBondContact O-N 3.44Å
355	G	82.5	Confident	91.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-36.1	-174.2	0	0	0	0	0	114.3	L358 L359 H395	G355-L358 PolarHBondContact O-N 3.03Å; G355-L359 WeakPolarHBondContact O-CG 3.21Å; G355-L359 PolarHBondContact O-N 2.78Å; G355-H395 WeakPolarHBondContact CA-O 3.29Å; G355-H395 PolarHBondContact N-O 3.17Å
356	E	82.1	Confident	91.4	Very high	99 Å²	99	39 Å²	39	46%	0.463	20%	0.201	S	C	.	.	H	α-helix	trans	-64.5	-46.2	175.9	-66.7	-166.9	173.8	0	0	111.4	E354 L358 L359 M360	E354-E356 PolarHBondContact O-N 3.48Å; E356-L358 VanDerWaalsContact C-N 3.26Å; E356-L358 PolarHBondContact O-N 3Å; E356-L359 PolarHBondContact O-N 2.9Å; E356-M360 WeakPolarHBondContact O-CB 3.42Å; E356-M360 WeakPolarHBondContact O-CG 3.19Å; E356-M360 PolarHBondContact O-N 2.87Å
357	S	88.2	Confident	91.2	Very high	40 Å²	40	40.1 Å²	40.1	28%	0.28	21%	0.207	S	C	.	.	H	α-helix	trans	-57.3	-39.4	173.4	-75.4	0	0	0	0	112	E354 A361	E354-S357 PolarHBondContact O-N 2.75Å; E354-S357 PolarHBondContact OE2-OG 3.29Å; S357-A361 VanDerWaalsContact O-CB 3.3Å; S357-A361 WeakPolarHBondContact O-CB 3.4Å; S357-A361 PolarHBondContact O-N 3.09Å
358	L	90.7	Very high	90.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-68.2	-42	175.6	-177.9	56.8	0	0	0	112.7	F350 V353 E354 G355 E356 A361 L362 I398 H421 V422 L425	F350-L358 HydrophobicContact CD2-CD2 3.7Å; F350-L358 HydrophobicContact CE2-CD2 4.07Å; F350-L358 HydrophobicContact CG-CD2 4.09Å; V353-L358 HydrophobicContact CG1-CB 4.03Å; V353-L358 HydrophobicContact CG1-CD2 4.44Å; E354-L358 PolarHBondContact O-N 3.44Å; G355-L358 PolarHBondContact O-N 3.03Å; E356-L358 VanDerWaalsContact C-N 3.26Å; E356-L358 PolarHBondContact O-N 3Å; L358-A361 PolarHBondContact O-N 3.46Å; L358-L362 HydrophobicContact CD1-CD1 3.95Å; L358-L362 HydrophobicContact CD1-CG 4.25Å; L358-L362 HydrophobicContact CG-CD1 4.04Å; L358-L362 WeakPolarHBondContact O-CB 3.43Å; L358-L362 WeakPolarHBondContact O-CG 3.33Å; L358-L362 PolarHBondContact O-N 3.39Å; L358-I398 HydrophobicContact CD2-CD1 4.23Å; L358-I398 HydrophobicContact CD2-CG1 3.73Å; L358-I398 HydrophobicContact CG-CD1 4.4Å; L358-I398 HydrophobicContact CG-CG1 4.34Å; L358-H421 HydrophobicContact CD1-CB 4.09Å; L358-V422 HydrophobicContact CD1-CG2 3.79Å; L358-V422 HydrophobicContact CD2-CG2 3.91Å; L358-L425 HydrophobicContact CB-CD1 4.01Å; L358-L425 HydrophobicContact CD1-CD1 4.12Å
359	L	89.6	Confident	89.7	Confident	41 Å²	41	42.1 Å²	42.1	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-43.6	174.4	-74.3	171.7	0	0	0	111.8	G355 E356 A361 L362 L367 I398	G355-L359 WeakPolarHBondContact O-CG 3.21Å; G355-L359 PolarHBondContact O-N 2.78Å; E356-L359 PolarHBondContact O-N 2.9Å; L359-A361 VanDerWaalsContact C-N 3.29Å; L359-A361 PolarHBondContact O-N 3.41Å; L359-L362 CarbonylContact O-C 3.53Å; L359-L362 PolarHBondContact O-N 2.96Å; L359-L367 HydrophobicContact CD2-CB 3.7Å; L359-I398 HydrophobicContact CD1-CD1 4.4Å; L359-I398 HydrophobicContact CD2-CD1 3.71Å; L359-I398 HydrophobicContact CG-CD1 3.65Å
360	M	88.3	Confident	88	Confident	146 Å²	146	42.3 Å²	42.3	72%	0.719	22%	0.222	S	C	*	.	H	α-helix	trans	-63.3	-37.4	175.9	-71.1	-178.7	69.4	0	0	111.8	E356 L362	E356-M360 WeakPolarHBondContact O-CB 3.42Å; E356-M360 WeakPolarHBondContact O-CG 3.19Å; E356-M360 PolarHBondContact O-N 2.87Å; M360-L362 VanDerWaalsContact C-N 3.33Å
361	A	91.8	Very high	86.1	Confident	27 Å²	27	44 Å²	44	22%	0.223	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-36.3	175	0	0	0	0	0	111.8	S357 L358 L359 K363 H421 L425	S357-A361 VanDerWaalsContact O-CB 3.3Å; S357-A361 WeakPolarHBondContact O-CB 3.4Å; S357-A361 PolarHBondContact O-N 3.09Å; L358-A361 PolarHBondContact O-N 3.46Å; L359-A361 VanDerWaalsContact C-N 3.29Å; L359-A361 PolarHBondContact O-N 3.41Å; A361-K363 PolarHBondContact O-N 2.94Å; A361-H421 HydrophobicContact CB-CB 3.88Å; A361-H421 PolarHBondContact O-NE2 3.31Å; A361-L425 HydrophobicContact CB-CD1 4.48Å
362	L	92.9	Very high	83.8	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	34.1	177	-68.1	171	0	0	0	113.7	L358 L359 M360 D364 V365 L367 K417	L358-L362 HydrophobicContact CD1-CD1 3.95Å; L358-L362 HydrophobicContact CD1-CG 4.25Å; L358-L362 HydrophobicContact CG-CD1 4.04Å; L358-L362 WeakPolarHBondContact O-CB 3.43Å; L358-L362 WeakPolarHBondContact O-CG 3.33Å; L358-L362 PolarHBondContact O-N 3.39Å; L359-L362 CarbonylContact O-C 3.53Å; L359-L362 PolarHBondContact O-N 2.96Å; M360-L362 VanDerWaalsContact C-N 3.33Å; L362-D364 PolarHBondContact O-N 2.98Å; L362-V365 CarbonylContact O-C 3.54Å; L362-V365 PolarHBondContact O-N 3.31Å; L362-L367 HydrophobicContact CB-CD1 4.26Å; L362-L367 HydrophobicContact CD1-CD1 3.68Å; L362-K417 HydrophobicContact CD2-CB 3.73Å
363	K	91.1	Very high	81.8	Confident	162 Å²	162	46 Å²	46	70%	0.704	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.6	-177.4	67	179.8	-175.6	176.4	0	115.8	A361 V365	A361-K363 PolarHBondContact O-N 2.94Å; K363-V365 VanDerWaalsContact C-N 3.25Å; K363-V365 PolarHBondContact O-N 3.09Å
364	D	93.6	Very high	79.7	Confident	69 Å²	69	47.6 Å²	47.6	37%	0.369	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.5	178.8	-56	-30.1	0	0	0	112.5	P50 L51 L362 Y413	P50-D364 CarbonylContact C-O 3.55Å; P50-D364 WeakPolarHBondContact CA-O 3.4Å; P50-D364 WeakPolarHBondContact CB-O 3.47Å; L51-D364 PolarHBondContact N-O 2.54Å; L362-D364 PolarHBondContact O-N 2.98Å; D364-Y413 HydrophobicContact CB-CE1 4.18Å; D364-Y413 PolarHBondContact OD2-OH 3.37Å
365	V	96	Very high	77.6	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	115.5	179.5	-168.9	0	0	0	0	109.3	L51 M53 L362 K363 L367 Y413 T414	L51-V365 HydrophobicContact CB-CG1 4.39Å; M53-V365 HydrophobicContact CB-CG1 3.87Å; M53-V365 HydrophobicContact CG-CG1 3.66Å; L362-V365 CarbonylContact O-C 3.54Å; L362-V365 PolarHBondContact O-N 3.31Å; K363-V365 VanDerWaalsContact C-N 3.25Å; K363-V365 PolarHBondContact O-N 3.09Å; V365-L367 HydrophobicContact CB-CD1 4.25Å; V365-L367 HydrophobicContact CB-CG 4.39Å; V365-L367 HydrophobicContact CG1-CD1 4.01Å; V365-L367 HydrophobicContact CG1-CD2 4.21Å; V365-L367 HydrophobicContact CG1-CG 3.84Å; V365-L367 PolarHBondContact O-N 3.11Å; V365-Y413 HydrophobicContact CG2-CD1 4.37Å; V365-Y413 HydrophobicContact CG2-CE1 4.33Å; V365-T414 HydrophobicContact CG1-CG2 4.03Å
366	A	95.1	Very high	75.4	Confident	33 Å²	33	53.3 Å²	53.3	27%	0.273	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	113.4	173.8	0	0	0	0	0	110.1	L51 Y52 M53	L51-A366 PolarHBondContact O-N 2.96Å; Y52-A366 HydrophobicContact CD2-CB 4.02Å; M53-A366 CarbonylContact C-O 3.57Å; M53-A366 VanDerWaalsContact C-O 3.28Å; M53-A366 WeakPolarHBondContact CA-O 3.26Å; M53-A366 PolarHBondContact N-O 2.93Å
367	L	92.8	Very high	73.7	Confident	24 Å²	24	51 Å²	51	13%	0.126	32%	0.321	C	S	.	.			trans	-134.5	175.8	-177.4	-68.5	165.7	0	0	0	109.8	M53 L359 L362 V365 I398 F400	M53-L367 HydrophobicContact CB-CD2 3.57Å; M53-L367 HydrophobicContact CB-CG 4.44Å; L359-L367 HydrophobicContact CD2-CB 3.7Å; L362-L367 HydrophobicContact CB-CD1 4.26Å; L362-L367 HydrophobicContact CD1-CD1 3.68Å; V365-L367 HydrophobicContact CB-CD1 4.25Å; V365-L367 HydrophobicContact CB-CG 4.39Å; V365-L367 HydrophobicContact CG1-CD1 4.01Å; V365-L367 HydrophobicContact CG1-CD2 4.21Å; V365-L367 HydrophobicContact CG1-CG 3.84Å; V365-L367 PolarHBondContact O-N 3.11Å; L367-I398 HydrophobicContact CB-CG2 4.28Å; L367-I398 HydrophobicContact CD1-CG2 4.08Å; L367-I398 HydrophobicContact CD2-CG2 4.45Å; L367-F400 HydrophobicContact CD1-CD1 4.23Å; L367-F400 HydrophobicContact CD1-CE1 3.84Å; L367-F400 HydrophobicContact CD2-CB 4.35Å; L367-F400 HydrophobicContact CD2-CD1 3.4Å; L367-F400 HydrophobicContact CD2-CE1 3.89Å; L367-F400 HydrophobicContact CD2-CG 4.04Å; L367-F400 HydrophobicContact CG-CD1 4.48Å
368	S	86.1	Confident	72.2	Confident	14 Å²	14	56 Å²	56	10%	0.098	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-134.5	139.3	172	-168.6	0	0	0	0	111.3	A372 R399	S368-A372 VanDerWaalsContact OG-CA 3.28Å; S368-A372 WeakPolarHBondContact OG-CA 3.18Å; S368-A372 WeakPolarHBondContact OG-CB 3.44Å; S368-R399 PolarHBondContact O-N 3.44Å
369	S	76.4	Confident	71.1	Confident	28 Å²	28	61.8 Å²	61.8	20%	0.196	37%	0.37	C	S	.	.			trans	-72.8	151.9	154.5	49.5	0	0	0	0	107.7	S371 A372	S369-S371 PolarHBondContact O-N 3.11Å; S369-A372 PolarHBondContact O-N 2.97Å
370	G	59.8	Low	70.3	Confident	3 Å²	3	60.9 Å²	60.9	3%	0.031	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-20.8	-166.6	0	0	0	0	0	117.2	A372	G370-A372 VanDerWaalsContact C-N 3.25Å; G370-A372 PolarHBondContact O-N 3.32Å; G370-A372 VanDerWaalsContact O-N 3.14Å
371	S	55.2	Low	70.2	Confident	36 Å²	36	54.2 Å²	54.2	25%	0.252	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	15.5	178.5	23.9	0	0	0	0	116.5	S369 C373 T374	S369-S371 PolarHBondContact O-N 3.11Å; S371-C373 PolarHBondContact O-N 3.44Å; S371-T374 WeakPolarHBondContact CB-OG1 3.33Å; S371-T374 PolarHBondContact O-N 3.37Å; S371-T374 PolarHBondContact O-OG1 3.01Å
372	A	43.4	Very low	70.1	Confident	40 Å²	40	54.5 Å²	54.5	33%	0.331	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.1	-28.3	-173.4	0	0	0	0	0	117.1	S368 S369 G370	S368-A372 VanDerWaalsContact OG-CA 3.28Å; S368-A372 WeakPolarHBondContact OG-CA 3.18Å; S368-A372 WeakPolarHBondContact OG-CB 3.44Å; S369-A372 PolarHBondContact O-N 2.97Å; G370-A372 VanDerWaalsContact C-N 3.25Å; G370-A372 PolarHBondContact O-N 3.32Å; G370-A372 VanDerWaalsContact O-N 3.14Å
373	C	48.4	Very low	70.1	Confident	70 Å²	70	54.3 Å²	54.3	47%	0.473	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	0.9	-175.7	-62.9	0	0	0	0	114.5	S371	S371-C373 PolarHBondContact O-N 3.44Å
374	T	46	Very low	70.2	Confident	44 Å²	44	46.6 Å²	46.6	27%	0.27	30%	0.296	S	S	.	.			trans	-107.9	93.3	174.5	49.7	0	0	0	0	109.3	K149 S371 A376	K149-T374 HydrophobicContact CG-CG2 4.5Å; S371-T374 WeakPolarHBondContact CB-OG1 3.33Å; S371-T374 PolarHBondContact O-N 3.37Å; S371-T374 PolarHBondContact O-OG1 3.01Å; T374-A376 PolarHBondContact O-N 3.08Å
375	S	39.7	Very low	70.1	Confident	133 Å²	133	50.2 Å²	50.2	93%	0.93	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	12.2	-176.8	56.2	0	0	0	0	115.2
376	A	36	Very low	70	Confident	98 Å²	98	50.8 Å²	50.8	81%	0.81	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.3	-3.8	-163.5	0	0	0	0	0	118.1	T374	T374-A376 PolarHBondContact O-N 3.08Å
377	S	47.7	Very low	70	Confident	52 Å²	52	49.7 Å²	49.7	36%	0.364	30%	0.299	S	S	.	.			trans	-130.3	131.6	-176.5	62.5	0	0	0	0	112.7	E379	S377-E379 PolarHBondContact O-N 3.24Å; S377-E379 VanDerWaalsContact O-N 3.17Å
378	L	56.4	Low	69.9	Low	145 Å²	145	51.3 Å²	51.3	76%	0.759	32%	0.321	S	S	*	.			trans	-69.9	3.3	172.1	-119.2	100.1	0	0	0	113.7
379	E	66.3	Low	69.9	Low	121 Å²	121	51.7 Å²	51.7	57%	0.565	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-66.3	141.1	-176.2	-67.9	-174.2	-179.7	0	0	111.6	S377	S377-E379 PolarHBondContact O-N 3.24Å; S377-E379 VanDerWaalsContact O-N 3.17Å
380	P	74.1	Confident	70.3	Confident	23 Å²	23	54.7 Å²	54.7	15%	0.149	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-59.5	154.5	174.9	23	-30.8	0	0	0	111.1	Y382 E391 A394	P380-Y382 PolarHBondContact O-N 3.46Å; P380-Y382 VanDerWaalsContact O-N 3.1Å; P380-E391 HydrophobicContact CG-CG 4.45Å; P380-A394 HydrophobicContact CB-CB 4Å
381	S	84.7	Confident	71.3	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.042	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-52.6	121.2	178.6	165.5	0	0	0	0	110.9	E200 V383 L384 R385	E200-S381 WeakPolarHBondContact OE2-CB 3.43Å; E200-S381 PolarHBondContact OE2-OG 3.1Å; S381-V383 PolarHBondContact O-N 3.38Å; S381-V383 PolarHBondContact OG-N 3.49Å; S381-L384 PolarHBondContact O-N 3.05Å; S381-L384 PolarHBondContact OG-N 3.18Å; S381-L384 VanDerWaalsContact OG-N 3.14Å; S381-R385 PolarHBondContact O-N 2.97Å
382	Y	90.4	Very high	72.4	Confident	33 Å²	33	65 Å²	65	13%	0.129	39%	0.386	C	S	.	.	H	α-helix	trans	-65.8	-23.9	175.6	68.7	-90.5	0	0	0	111.9	E147 K149 L152 P380 A386	E147-Y382 WeakPolarHBondContact O-CE2 3.46Å; E147-Y382 PolarHBondContact O-OH 3.3Å; K149-Y382 HydrophobicContact CD-CE1 3.93Å; K149-Y382 VanDerWaalsContact CE-CE1 3.41Å; K149-Y382 HydrophobicContact CG-CE1 4.01Å; K149-Y382 PolarHBondContact N-OH 3.18Å; L152-Y382 HydrophobicContact CD1-CD2 4.07Å; L152-Y382 HydrophobicContact CD1-CE2 3.51Å; P380-Y382 PolarHBondContact O-N 3.46Å; P380-Y382 VanDerWaalsContact O-N 3.1Å; Y382-A386 VanDerWaalsContact O-CB 3.32Å; Y382-A386 WeakPolarHBondContact O-CB 3.36Å; Y382-A386 PolarHBondContact O-N 2.93Å
383	V	93.9	Very high	74.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-71.3	-46.5	174.6	176.4	0	0	0	0	110	T146 E200 I201 S381 R385 A386 I387	T146-V383 HydrophobicContact CG2-CG1 4.04Å; E200-V383 HydrophobicContact CB-CB 4.45Å; E200-V383 HydrophobicContact CB-CG1 4.36Å; E200-V383 HydrophobicContact CG-CG2 4.28Å; E200-V383 VanDerWaalsContact OE1-CG2 3.29Å; E200-V383 WeakPolarHBondContact OE1-CG2 3.28Å; I201-V383 HydrophobicContact CD1-CG1 4.15Å; I201-V383 HydrophobicContact CG1-CG1 4.21Å; I201-V383 HydrophobicContact CG2-CG1 4.26Å; S381-V383 PolarHBondContact O-N 3.38Å; S381-V383 PolarHBondContact OG-N 3.49Å; V383-R385 VanDerWaalsContact C-N 3.33Å; V383-R385 PolarHBondContact O-N 3.42Å; V383-A386 WeakPolarHBondContact O-CB 3.37Å; V383-A386 PolarHBondContact O-N 3.37Å; V383-A386 VanDerWaalsContact O-N 3.12Å; V383-I387 PolarHBondContact O-N 3.23Å; V383-I387 VanDerWaalsContact O-N 3.17Å
384	L	92.9	Very high	76.1	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-39.2	178.2	-64.1	-176.2	0	0	0	111.9	I201 N335 S381 A386 I387 G388 A389 A394 S397	I201-L384 HydrophobicContact CG2-CD2 3.77Å; N335-L384 HydrophobicContact CB-CD2 3.7Å; S381-L384 PolarHBondContact O-N 3.05Å; S381-L384 PolarHBondContact OG-N 3.18Å; S381-L384 VanDerWaalsContact OG-N 3.14Å; L384-A386 VanDerWaalsContact C-N 3.31Å; L384-A386 PolarHBondContact O-N 3.22Å; L384-I387 HydrophobicContact CD2-CD1 3.97Å; L384-I387 WeakPolarHBondContact O-CG1 3.48Å; L384-I387 PolarHBondContact O-N 3.41Å; L384-G388 PolarHBondContact O-N 3.01Å; L384-A389 HydrophobicContact CB-CB 4.12Å; L384-A389 VanDerWaalsContact O-CB 3.27Å; L384-A389 WeakPolarHBondContact O-CB 3.45Å; L384-A389 PolarHBondContact O-N 3.42Å; L384-A394 HydrophobicContact CB-CB 3.98Å; L384-A394 HydrophobicContact CD1-CB 4.28Å; L384-S397 WeakPolarHBondContact CD1-OG 3.24Å
385	R	91.9	Very high	77.8	Confident	144 Å²	144	63.8 Å²	63.8	54%	0.543	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-38	171.8	-174.1	173.6	58.4	-153.1	-5.5	112.4	S381 V383 I387 G388	S381-R385 PolarHBondContact O-N 2.97Å; V383-R385 VanDerWaalsContact C-N 3.33Å; V383-R385 PolarHBondContact O-N 3.42Å; R385-I387 VanDerWaalsContact C-N 3.31Å; R385-I387 PolarHBondContact O-N 2.97Å; R385-G388 PolarHBondContact O-N 3.29Å
386	A	93.2	Very high	80.1	Confident	19 Å²	19	57.6 Å²	57.6	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-68.3	-27.5	179.8	0	0	0	0	0	113.4	Q145 T146 V170 Y382 V383 L384 G388	Q145-A386 HydrophobicContact CB-CB 4.06Å; T146-A386 HydrophobicContact CG2-CB 3.83Å; V170-A386 HydrophobicContact CG2-CB 4.48Å; Y382-A386 VanDerWaalsContact O-CB 3.32Å; Y382-A386 WeakPolarHBondContact O-CB 3.36Å; Y382-A386 PolarHBondContact O-N 2.93Å; V383-A386 WeakPolarHBondContact O-CB 3.37Å; V383-A386 PolarHBondContact O-N 3.37Å; V383-A386 VanDerWaalsContact O-N 3.12Å; L384-A386 VanDerWaalsContact C-N 3.31Å; L384-A386 PolarHBondContact O-N 3.22Å; A386-G388 VanDerWaalsContact C-N 3.26Å
387	I	94.6	Very high	82.7	Confident	11 Å²	11	53 Å²	53	6%	0.056	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.2	171.9	66	170.9	0	0	0	112.9	V170 T172 I201 N335 V383 L384 R385	V170-I387 HydrophobicContact CG2-CG2 3.78Å; T172-I387 WeakPolarHBondContact CA-O 3.11Å; I201-I387 HydrophobicContact CD1-CG2 4.25Å; N335-I387 HydrophobicContact CB-CD1 4.13Å; V383-I387 PolarHBondContact O-N 3.23Å; V383-I387 VanDerWaalsContact O-N 3.17Å; L384-I387 HydrophobicContact CD2-CD1 3.97Å; L384-I387 WeakPolarHBondContact O-CG1 3.48Å; L384-I387 PolarHBondContact O-N 3.41Å; R385-I387 VanDerWaalsContact C-N 3.31Å; R385-I387 PolarHBondContact O-N 2.97Å
388	G	90.4	Very high	84.9	Confident	57 Å²	57	50.5 Å²	50.5	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	24.7	177.6	0	0	0	0	0	114.5	L384 R385 A386	L384-G388 PolarHBondContact O-N 3.01Å; R385-G388 PolarHBondContact O-N 3.29Å; A386-G388 VanDerWaalsContact C-N 3.26Å
389	A	87.1	Confident	86.8	Confident	23 Å²	23	43.7 Å²	43.7	19%	0.19	23%	0.231	C	C	.	.			trans	-64.9	134.7	170.2	0	0	0	0	0	110	L384	L384-A389 HydrophobicContact CB-CB 4.12Å; L384-A389 VanDerWaalsContact O-CB 3.27Å; L384-A389 WeakPolarHBondContact O-CB 3.45Å; L384-A389 PolarHBondContact O-N 3.42Å
390	D	85.4	Confident	88.3	Confident	91 Å²	91	38 Å²	38	49%	0.487	21%	0.205	S	C	.	.			trans	-55.5	145.4	171	-70.1	-25.4	0	0	0	109.5	D392 L393 A394	D390-D392 VanDerWaalsContact C-N 3.28Å; D390-D392 PolarHBondContact O-N 3.17Å; D390-L393 HydrophobicContact CB-CB 4.39Å; D390-L393 HydrophobicContact CB-CD1 4.29Å; D390-L393 HydrophobicContact CB-CG 4.35Å; D390-L393 CarbonylContact O-C 3.6Å; D390-L393 WeakPolarHBondContact O-CA 3.29Å; D390-L393 WeakPolarHBondContact O-CB 2.89Å; D390-L393 PolarHBondContact O-N 3.34Å; D390-A394 PolarHBondContact O-N 3.08Å
391	E	79.3	Confident	89.5	Confident	133 Å²	133	36.9 Å²	36.9	62%	0.621	20%	0.197	S	C	*	.	H	α-helix	trans	-56.3	-42.5	-173.5	-169.4	165.6	-163.6	0	0	112	P380 L393 A394 H395	P380-E391 HydrophobicContact CG-CG 4.45Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 3.26Å; E391-A394 WeakPolarHBondContact O-CB 3.42Å; E391-A394 PolarHBondContact O-N 3.03Å; E391-A394 VanDerWaalsContact O-N 3.16Å; E391-H395 PolarHBondContact O-CD2 3Å; E391-H395 VanDerWaalsContact O-CD2 3.23Å; E391-H395 PolarHBondContact O-N 3.29Å
392	D	79.7	Confident	90.1	Very high	121 Å²	121	36.6 Å²	36.6	65%	0.647	20%	0.196	S	C	*	.	H	α-helix	trans	-62.3	-36	175.2	-59.7	-25.3	0	0	0	112.7	D390 S396	D390-D392 VanDerWaalsContact C-N 3.28Å; D390-D392 PolarHBondContact O-N 3.17Å; D392-S396 WeakPolarHBondContact O-CB 3.41Å; D392-S396 PolarHBondContact O-N 2.97Å; D392-S396 PolarHBondContact O-OG 2.73Å
393	L	83.7	Confident	90.5	Very high	44 Å²	44	35.1 Å²	35.1	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-74.3	-30.8	176.6	-72.1	178.6	0	0	0	112.2	S349 A351 D390 E391 S396	S349-L393 WeakPolarHBondContact CB-O 3.43Å; S349-L393 PolarHBondContact OG-O 2.74Å; A351-L393 HydrophobicContact CB-CD2 3.98Å; D390-L393 HydrophobicContact CB-CB 4.39Å; D390-L393 HydrophobicContact CB-CD1 4.29Å; D390-L393 HydrophobicContact CB-CG 4.35Å; D390-L393 CarbonylContact O-C 3.6Å; D390-L393 WeakPolarHBondContact O-CA 3.29Å; D390-L393 WeakPolarHBondContact O-CB 2.89Å; D390-L393 PolarHBondContact O-N 3.34Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 3.26Å; L393-S396 VanDerWaalsContact CA-OG 3.28Å; L393-S396 WeakPolarHBondContact CA-OG 3.22Å; L393-S396 PolarHBondContact O-N 3.26Å; L393-S396 PolarHBondContact O-OG 3.03Å
394	A	83.9	Confident	90.7	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-40	174.2	0	0	0	0	0	111.4	P380 L384 D390 E391 S396 S397	P380-A394 HydrophobicContact CB-CB 4Å; L384-A394 HydrophobicContact CB-CB 3.98Å; L384-A394 HydrophobicContact CD1-CB 4.28Å; D390-A394 PolarHBondContact O-N 3.08Å; E391-A394 WeakPolarHBondContact O-CB 3.42Å; E391-A394 PolarHBondContact O-N 3.03Å; E391-A394 VanDerWaalsContact O-N 3.16Å; A394-S396 VanDerWaalsContact C-N 3.28Å; A394-S396 PolarHBondContact O-N 3.31Å; A394-S397 PolarHBondContact O-OG 3.17Å
395	H	83.1	Confident	90.9	Very high	80 Å²	80	40.5 Å²	40.5	37%	0.37	21%	0.213	S	C	.	.	H	α-helix	trans	-71.4	-19.5	176.3	-79.4	-70.3	0	0	0	114.2	G355 E391	G355-H395 WeakPolarHBondContact CA-O 3.29Å; G355-H395 PolarHBondContact N-O 3.17Å; E391-H395 PolarHBondContact O-CD2 3Å; E391-H395 VanDerWaalsContact O-CD2 3.23Å; E391-H395 PolarHBondContact O-N 3.29Å
396	S	86.8	Confident	91.2	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	18.9	-179.9	59.7	0	0	0	0	113.8	F350 V353 D392 L393 A394	F350-S396 PolarHBondContact N-O 3.42Å; F350-S396 VanDerWaalsContact O-CB 3.24Å; F350-S396 WeakPolarHBondContact O-CB 3.35Å; F350-S396 PolarHBondContact O-OG 3.23Å; V353-S396 WeakPolarHBondContact O-CB 3.5Å; D392-S396 WeakPolarHBondContact O-CB 3.41Å; D392-S396 PolarHBondContact O-N 2.97Å; D392-S396 PolarHBondContact O-OG 2.73Å; L393-S396 VanDerWaalsContact CA-OG 3.28Å; L393-S396 WeakPolarHBondContact CA-OG 3.22Å; L393-S396 PolarHBondContact O-N 3.26Å; L393-S396 PolarHBondContact O-OG 3.03Å; A394-S396 VanDerWaalsContact C-N 3.28Å; A394-S396 PolarHBondContact O-N 3.31Å
397	S	92	Very high	91.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.4	-178.2	67.3	0	0	0	0	113.3	L348 L384 A394	L348-S397 CarbonylContact O-C 3.52Å; L348-S397 WeakPolarHBondContact O-CA 3.35Å; L384-S397 WeakPolarHBondContact CD1-OG 3.24Å; A394-S397 PolarHBondContact O-OG 3.17Å
398	I	94.1	Very high	91.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.1	174.9	-53.9	-66.6	0	0	0	109.3	N347 L348 F350 L358 L359 L367 F400	N347-I398 WeakPolarHBondContact CA-O 3.03Å; L348-I398 PolarHBondContact N-O 2.78Å; L348-I398 PolarHBondContact O-N 3.46Å; F350-I398 HydrophobicContact CD2-CG1 4.17Å; F350-I398 HydrophobicContact CE2-CB 4.1Å; F350-I398 HydrophobicContact CE2-CG1 3.97Å; L358-I398 HydrophobicContact CD2-CD1 4.23Å; L358-I398 HydrophobicContact CD2-CG1 3.73Å; L358-I398 HydrophobicContact CG-CD1 4.4Å; L358-I398 HydrophobicContact CG-CG1 4.34Å; L359-I398 HydrophobicContact CD1-CD1 4.4Å; L359-I398 HydrophobicContact CD2-CD1 3.71Å; L359-I398 HydrophobicContact CG-CD1 3.65Å; L367-I398 HydrophobicContact CB-CG2 4.28Å; L367-I398 HydrophobicContact CD1-CG2 4.08Å; L367-I398 HydrophobicContact CD2-CG2 4.45Å; I398-F400 HydrophobicContact CB-CE2 3.8Å; I398-F400 HydrophobicContact CB-CZ 4.05Å; I398-F400 HydrophobicContact CG2-CD2 4.12Å; I398-F400 HydrophobicContact CG2-CE1 4.08Å; I398-F400 HydrophobicContact CG2-CE2 3.61Å; I398-F400 HydrophobicContact CG2-CZ 3.58Å
399	R	96.1	Very high	92	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.3	170.6	-170.7	-172.7	70.5	-159.3	-7.4	110.2	D54 N199 E200 I346 S368	D54-R399 IonicContact OD1-CZ 2.91Å; D54-R399 IonicContact OD1-NE 3.51Å; D54-R399 IonicContact OD1-NH2 3.3Å; D54-R399 PolarHBondContact OD1-NH2 2.92Å; N199-R399 WeakPolarHBondContact O-CD 3.44Å; N199-R399 PolarHBondContact O-NH1 3.3Å; E200-R399 WeakPolarHBondContact O-CD 3.27Å; I346-R399 CarbonylContact O-C 3.54Å; I346-R399 VanDerWaalsContact O-CA 3.31Å; I346-R399 WeakPolarHBondContact O-CA 3.42Å; S368-R399 PolarHBondContact O-N 3.44Å
400	F	97.7	Very high	92.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.8	170.6	-54	-97.1	0	0	0	109.3	L321 I325 I346 L348 F350 L367 I398 T414	L321-F400 HydrophobicContact CD2-CB 3.72Å; L321-F400 HydrophobicContact CD2-CD1 4.02Å; L321-F400 HydrophobicContact CD2-CG 3.85Å; I325-F400 HydrophobicContact CD1-CZ 4.42Å; I346-F400 HydrophobicContact CB-CB 4.27Å; I346-F400 HydrophobicContact CG2-CD2 4.5Å; I346-F400 PolarHBondContact N-O 3.33Å; I346-F400 PolarHBondContact O-N 3.26Å; L348-F400 HydrophobicContact CB-CE2 4.47Å; L348-F400 HydrophobicContact CD1-CE2 4.26Å; L348-F400 HydrophobicContact CG-CE2 4.49Å; F350-F400 HydrophobicContact CE2-CE2 4.23Å; F350-F400 HydrophobicContact CE2-CZ 4.38Å; F350-F400 HydrophobicContact CZ-CE2 4.24Å; F350-F400 HydrophobicContact CZ-CZ 4.25Å; L367-F400 HydrophobicContact CD1-CD1 4.23Å; L367-F400 HydrophobicContact CD1-CE1 3.84Å; L367-F400 HydrophobicContact CD2-CB 4.35Å; L367-F400 HydrophobicContact CD2-CD1 3.4Å; L367-F400 HydrophobicContact CD2-CE1 3.89Å; L367-F400 HydrophobicContact CD2-CG 4.04Å; L367-F400 HydrophobicContact CG-CD1 4.48Å; I398-F400 HydrophobicContact CB-CE2 3.8Å; I398-F400 HydrophobicContact CB-CZ 4.05Å; I398-F400 HydrophobicContact CG2-CD2 4.12Å; I398-F400 HydrophobicContact CG2-CE1 4.08Å; I398-F400 HydrophobicContact CG2-CE2 3.61Å; I398-F400 HydrophobicContact CG2-CZ 3.58Å; F400-T414 HydrophobicContact CD1-CG2 3.94Å; F400-T414 HydrophobicContact CE1-CG2 3.86Å
401	G	97.9	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.5	176.7	0	0	0	0	0	112	M53 F55 G344	M53-G401 CarbonylContact C-O 3.59Å; M53-G401 VanDerWaalsContact CA-O 3.23Å; M53-G401 WeakPolarHBondContact CA-O 3.21Å; M53-G401 WeakPolarHBondContact O-CA 3.17Å; M53-G401 PolarHBondContact O-N 3.44Å; F55-G401 WeakPolarHBondContact CD2-O 3.49Å; G344-G401 WeakPolarHBondContact O-CA 3.34Å
402	I	98.4	Very high	94.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.166	C	C	.	.			trans	-115.4	137.3	178.5	-60.6	177.1	0	0	0	108.8	M53 V314 L317 A318 L321 G344 I346 T406 V411	M53-I402 HydrophobicContact CE-CD1 4.38Å; M53-I402 HydrophobicContact CE-CG1 3.89Å; V314-I402 HydrophobicContact CB-CG2 4.5Å; V314-I402 HydrophobicContact CG1-CB 4.35Å; V314-I402 HydrophobicContact CG1-CG2 4.09Å; V314-I402 HydrophobicContact CG2-CG2 4.29Å; L317-I402 HydrophobicContact CB-CD1 4.28Å; L317-I402 HydrophobicContact CB-CG2 3.97Å; L317-I402 HydrophobicContact CD1-CG2 4.02Å; A318-I402 HydrophobicContact CB-CD1 4.19Å; L321-I402 HydrophobicContact CD2-CD1 4.22Å; G344-I402 PolarHBondContact O-N 2.88Å; I346-I402 HydrophobicContact CD1-CD1 3.77Å; I402-T406 HydrophobicContact CG2-CG2 4.04Å; I402-V411 HydrophobicContact CD1-CG2 4.39Å
403	G	97.8	Very high	95	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	15%	0.15	C	C	.	.			trans	-140.4	-168.7	179.6	0	0	0	0	0	113.9	Y252 F405 T406	Y252-G403 WeakPolarHBondContact OH-CA 3.35Å; G403-F405 VanDerWaalsContact C-N 3.25Å; G403-F405 PolarHBondContact O-N 2.96Å; G403-T406 PolarHBondContact N-OG1 3.28Å; G403-T406 VanDerWaalsContact N-OG1 3.1Å; G403-T406 WeakPolarHBondContact O-CB 3.46Å; G403-T406 PolarHBondContact O-N 2.91Å; G403-T406 VanDerWaalsContact O-N 3.13Å; G403-T406 PolarHBondContact O-OG1 2.9Å
404	R	98.2	Very high	95.7	Very high	24 Å²	24	29.7 Å²	29.7	9%	0.091	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.1	-172.8	179	177.5	-63.6	159.6	0.9	113.1	D62 Y252 I302 E306 D310	D62-R404 IonicContact OD2-CZ 2.72Å; D62-R404 IonicContact OD2-NH1 3.52Å; D62-R404 PolarHBondContact OD2-NH1 3.26Å; Y252-R404 HydrophobicContact CE1-CB 3.84Å; Y252-R404 HydrophobicContact CE2-CB 4.01Å; Y252-R404 WeakPolarHBondContact OH-CB 3.21Å; Y252-R404 PolarHBondContact OH-N 2.78Å; I302-R404 VanDerWaalsContact CG2-NH1 3.34Å; E306-R404 IonicContact OE2-CZ 3.65Å; E306-R404 IonicContact OE2-NE 3.51Å; E306-R404 PolarHBondContact OE2-NE 2.94Å; E306-R404 VanDerWaalsContact OE2-NE 3.16Å; E306-R404 IonicContact OE2-NH1 2.76Å; E306-R404 PolarHBondContact OE2-NH1 3.23Å; E306-R404 IonicContact OE2-NH2 2.83Å; D310-R404 IonicContact OD1-NE 3.82Å; D310-R404 IonicContact OD2-CZ 3.95Å; D310-R404 VanDerWaalsContact OD2-CZ 3.23Å; D310-R404 IonicContact OD2-NE 3.23Å; D310-R404 PolarHBondContact OD2-NE 3.42Å; D310-R404 IonicContact OD2-NH2 3.17Å; D310-R404 PolarHBondContact OD2-NH2 2.89Å
405	F	97.8	Very high	96.4	Very high	90 Å²	90	29.4 Å²	29.4	40%	0.395	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.7	-174.4	-56	-63	0	0	0	113.6	P60 Y252 G403	P60-F405 HydrophobicContact CG-CD2 3.57Å; P60-F405 HydrophobicContact CG-CE2 3.94Å; Y252-F405 HydrophobicContact CD1-CD2 4.26Å; Y252-F405 AromaticContact CD1-CE2 3.81Å; Y252-F405 HydrophobicContact CD1-CE2 3.81Å; Y252-F405 HydrophobicContact CE1-CD2 4.27Å; Y252-F405 HydrophobicContact CE1-CE2 4.22Å; G403-F405 VanDerWaalsContact C-N 3.25Å; G403-F405 PolarHBondContact O-N 2.96Å
406	T	98.6	Very high	97.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.143	C	C	.	.			trans	-67.8	139.6	176.7	-51.4	0	0	0	0	110.5	M53 F55 R313 L317 I402 G403 E410 V411	M53-T406 HydrophobicContact SD-CG2 3.84Å; F55-T406 WeakPolarHBondContact CE2-OG1 3.32Å; R313-T406 PolarHBondContact NH2-O 2.67Å; R313-T406 VanDerWaalsContact NH2-O 3.15Å; L317-T406 HydrophobicContact CD1-CG2 4.26Å; L317-T406 WeakPolarHBondContact CD1-O 3.36Å; I402-T406 HydrophobicContact CG2-CG2 4.04Å; G403-T406 PolarHBondContact N-OG1 3.28Å; G403-T406 VanDerWaalsContact N-OG1 3.1Å; G403-T406 WeakPolarHBondContact O-CB 3.46Å; G403-T406 PolarHBondContact O-N 2.91Å; G403-T406 VanDerWaalsContact O-N 3.13Å; G403-T406 PolarHBondContact O-OG1 2.9Å; T406-E410 WeakPolarHBondContact CA-OE2 3.28Å; T406-E410 HydrophobicContact CG2-CB 4.49Å; T406-V411 HydrophobicContact CG2-CG2 3.93Å
407	T	98.5	Very high	97.6	Very high	44 Å²	44	33 Å²	33	27%	0.27	15%	0.153	S	C	.	.			trans	-109.7	161.6	-179.5	64.7	0	0	0	0	112	Q409 E410 V411	T407-Q409 VanDerWaalsContact C-N 3.27Å; T407-Q409 PolarHBondContact O-N 2.94Å; T407-E410 PolarHBondContact N-OE2 2.9Å; T407-E410 PolarHBondContact O-N 3.47Å; T407-E410 WeakPolarHBondContact OG1-CB 3.38Å; T407-E410 WeakPolarHBondContact OG1-CG 3.4Å; T407-E410 PolarHBondContact OG1-N 3.35Å; T407-E410 PolarHBondContact OG1-OE2 2.97Å; T407-V411 PolarHBondContact O-N 3.46Å; T407-V411 VanDerWaalsContact O-N 3.17Å
408	E	98.6	Very high	97.9	Very high	78 Å²	78	33 Å²	33	36%	0.364	15%	0.152	S	C	.	.	H	α-helix	trans	-63.7	-37	175.6	-70.4	173.3	-136.4	0	0	111.3	M316 L317 V411 D412	M316-E408 HydrophobicContact CE-CG 3.95Å; M316-E408 HydrophobicContact SD-CG 4.49Å; L317-E408 HydrophobicContact CD2-CB 4.29Å; L317-E408 HydrophobicContact CD2-CG 3.57Å; E408-V411 PolarHBondContact O-N 3.42Å; E408-D412 WeakPolarHBondContact O-CB 3.16Å; E408-D412 PolarHBondContact O-N 2.89Å
409	Q	98.4	Very high	98.1	Very high	137 Å²	137	33.6 Å²	33.6	64%	0.64	16%	0.155	S	C	*	.	H	α-helix	trans	-63.8	-41.8	177.9	-64.6	81.6	0.4	0	0	111.8	T407 D412 Y413	T407-Q409 VanDerWaalsContact C-N 3.27Å; T407-Q409 PolarHBondContact O-N 2.94Å; Q409-D412 PolarHBondContact O-N 2.96Å; Q409-Y413 WeakPolarHBondContact O-CB 3.48Å; Q409-Y413 PolarHBondContact O-N 2.89Å
410	E	98.4	Very high	98.2	Very high	44 Å²	44	38.7 Å²	38.7	21%	0.206	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-44.4	175.4	-72.4	169	134.8	0	0	111.2	L51 T406 T407 D412 Y413 T414	L51-E410 HydrophobicContact CD1-CB 4.01Å; L51-E410 HydrophobicContact CD1-CG 3.97Å; L51-E410 HydrophobicContact CD2-CG 3.9Å; L51-E410 HydrophobicContact CG-CG 4.37Å; T406-E410 WeakPolarHBondContact CA-OE2 3.28Å; T406-E410 HydrophobicContact CG2-CB 4.49Å; T407-E410 PolarHBondContact N-OE2 2.9Å; T407-E410 PolarHBondContact O-N 3.47Å; T407-E410 WeakPolarHBondContact OG1-CB 3.38Å; T407-E410 WeakPolarHBondContact OG1-CG 3.4Å; T407-E410 PolarHBondContact OG1-N 3.35Å; T407-E410 PolarHBondContact OG1-OE2 2.97Å; E410-D412 PolarHBondContact O-N 3.42Å; E410-Y413 PolarHBondContact O-N 3.4Å; E410-T414 WeakPolarHBondContact O-CB 3.38Å; E410-T414 PolarHBondContact O-N 3.48Å; E410-T414 PolarHBondContact O-OG1 3.08Å
411	V	98.6	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-45.3	176.1	166.8	0	0	0	0	111.6	M53 L317 R320 L321 I402 T406 T407 E408 T414 A415	M53-V411 HydrophobicContact CE-CG2 4.36Å; L317-V411 HydrophobicContact CB-CG2 4.11Å; L317-V411 HydrophobicContact CD2-CG2 4.04Å; R320-V411 HydrophobicContact CB-CG1 4.24Å; R320-V411 HydrophobicContact CG-CG1 4.11Å; L321-V411 HydrophobicContact CB-CG1 3.83Å; L321-V411 HydrophobicContact CD1-CG1 4.19Å; I402-V411 HydrophobicContact CD1-CG2 4.39Å; T406-V411 HydrophobicContact CG2-CG2 3.93Å; T407-V411 PolarHBondContact O-N 3.46Å; T407-V411 VanDerWaalsContact O-N 3.17Å; E408-V411 PolarHBondContact O-N 3.42Å; V411-T414 PolarHBondContact O-N 2.93Å; V411-A415 WeakPolarHBondContact O-CB 3.41Å; V411-A415 PolarHBondContact O-N 3.47Å
412	D	98.4	Very high	98.1	Very high	30 Å²	30	40.3 Å²	40.3	16%	0.16	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-45	179.5	-80.6	-33.1	0	0	0	112.6	R320 K324 E408 Q409 E410 A415 E416	R320-D412 IonicContact CZ-OD1 2.85Å; R320-D412 VanDerWaalsContact CZ-OD1 3.23Å; R320-D412 IonicContact CZ-OD2 3.76Å; R320-D412 VanDerWaalsContact NE-CG 3.32Å; R320-D412 IonicContact NE-OD1 2.73Å; R320-D412 PolarHBondContact NE-OD1 3.02Å; R320-D412 IonicContact NE-OD2 2.78Å; R320-D412 PolarHBondContact NE-OD2 3.24Å; R320-D412 IonicContact NH2-OD1 3.76Å; R320-D412 PolarHBondContact NH2-OD1 2.99Å; R320-D412 IonicContact NH2-OD2 2.96Å; R320-D412 PolarHBondContact NH2-OD2 3.23Å; K324-D412 PolarHBondContact NZ-O 2.96Å; K324-D412 IonicContact NZ-OD1 2.74Å; K324-D412 PolarHBondContact NZ-OD1 2.77Å; E408-D412 WeakPolarHBondContact O-CB 3.16Å; E408-D412 PolarHBondContact O-N 2.89Å; Q409-D412 PolarHBondContact O-N 2.96Å; E410-D412 PolarHBondContact O-N 3.42Å; D412-A415 PolarHBondContact O-N 3.41Å; D412-E416 WeakPolarHBondContact O-CB 3.44Å; D412-E416 WeakPolarHBondContact O-CG 3.33Å; D412-E416 PolarHBondContact O-N 3.18Å
413	Y	98.4	Very high	98	Very high	81 Å²	81	45.7 Å²	45.7	32%	0.318	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-46.8	177	-177.5	-91.5	0	0	0	111.2	L51 D364 V365 Q409 E410 A415 E416 K417	L51-Y413 HydrophobicContact CD1-CD1 3.5Å; L51-Y413 HydrophobicContact CD1-CE1 4.24Å; L51-Y413 HydrophobicContact CD1-CG 4.13Å; L51-Y413 HydrophobicContact CG-CD1 4.47Å; D364-Y413 HydrophobicContact CB-CE1 4.18Å; D364-Y413 PolarHBondContact OD2-OH 3.37Å; V365-Y413 HydrophobicContact CG2-CD1 4.37Å; V365-Y413 HydrophobicContact CG2-CE1 4.33Å; Q409-Y413 WeakPolarHBondContact O-CB 3.48Å; Q409-Y413 PolarHBondContact O-N 2.89Å; E410-Y413 PolarHBondContact O-N 3.4Å; Y413-A415 VanDerWaalsContact C-N 3.35Å; Y413-A415 PolarHBondContact O-N 3.35Å; Y413-E416 PolarHBondContact O-N 3.27Å; Y413-K417 HydrophobicContact CD1-CG 4.07Å; Y413-K417 HydrophobicContact CE1-CG 3.71Å; Y413-K417 HydrophobicContact CE2-CG 4.27Å; Y413-K417 WeakPolarHBondContact O-CB 3.47Å; Y413-K417 WeakPolarHBondContact O-CG 3.48Å; Y413-K417 PolarHBondContact O-N 2.78Å; Y413-K417 VanDerWaalsContact OH-CE 3.26Å; Y413-K417 WeakPolarHBondContact OH-CE 3.45Å
414	T	98.3	Very high	97.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-44.3	177.4	-64.2	0	0	0	0	111.4	M53 L321 V365 F400 E410 V411 C418	M53-T414 HydrophobicContact CE-CG2 4.31Å; L321-T414 HydrophobicContact CD1-CG2 4.27Å; V365-T414 HydrophobicContact CG1-CG2 4.03Å; F400-T414 HydrophobicContact CD1-CG2 3.94Å; F400-T414 HydrophobicContact CE1-CG2 3.86Å; E410-T414 WeakPolarHBondContact O-CB 3.38Å; E410-T414 PolarHBondContact O-N 3.48Å; E410-T414 PolarHBondContact O-OG1 3.08Å; V411-T414 PolarHBondContact O-N 2.93Å; T414-C418 WeakPolarHBondContact O-CB 3.46Å; T414-C418 PolarHBondContact O-N 3.18Å
415	A	98.4	Very high	97.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-48.6	176.9	0	0	0	0	0	111.8	L321 K324 I325 V411 D412 Y413 K417 C418 I419	L321-A415 HydrophobicContact CD1-CB 4.02Å; K324-A415 HydrophobicContact CB-CB 4.16Å; K324-A415 HydrophobicContact CD-CB 3.62Å; K324-A415 HydrophobicContact CG-CB 3.91Å; I325-A415 HydrophobicContact CG1-CB 4.18Å; V411-A415 WeakPolarHBondContact O-CB 3.41Å; V411-A415 PolarHBondContact O-N 3.47Å; D412-A415 PolarHBondContact O-N 3.41Å; Y413-A415 VanDerWaalsContact C-N 3.35Å; Y413-A415 PolarHBondContact O-N 3.35Å; A415-K417 PolarHBondContact O-N 3.44Å; A415-C418 PolarHBondContact O-N 3.05Å; A415-I419 WeakPolarHBondContact O-CD1 3.38Å; A415-I419 WeakPolarHBondContact O-CG1 3.27Å; A415-I419 PolarHBondContact O-N 3.18Å
416	E	98.2	Very high	97.6	Very high	105 Å²	105	50 Å²	50	49%	0.491	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-45.4	-179.8	-78.7	163.9	-155.2	0	0	112.2	K324 D412 Y413 I419 Q420	K324-E416 IonicContact NZ-OE1 3.62Å; K324-E416 PolarHBondContact NZ-OE1 3.12Å; D412-E416 WeakPolarHBondContact O-CB 3.44Å; D412-E416 WeakPolarHBondContact O-CG 3.33Å; D412-E416 PolarHBondContact O-N 3.18Å; Y413-E416 PolarHBondContact O-N 3.27Å; E416-I419 PolarHBondContact O-N 3.46Å; E416-Q420 WeakPolarHBondContact O-CB 3.35Å; E416-Q420 PolarHBondContact O-N 3.41Å
417	K	97.8	Very high	97.3	Very high	54 Å²	54	57.5 Å²	57.5	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-42.4	176.3	-69.7	-63.9	179.7	-175.1	0	111.8	L362 Y413 A415 Q420 H421	L362-K417 HydrophobicContact CD2-CB 3.73Å; Y413-K417 HydrophobicContact CD1-CG 4.07Å; Y413-K417 HydrophobicContact CE1-CG 3.71Å; Y413-K417 HydrophobicContact CE2-CG 4.27Å; Y413-K417 WeakPolarHBondContact O-CB 3.47Å; Y413-K417 WeakPolarHBondContact O-CG 3.48Å; Y413-K417 PolarHBondContact O-N 2.78Å; Y413-K417 VanDerWaalsContact OH-CE 3.26Å; Y413-K417 WeakPolarHBondContact OH-CE 3.45Å; A415-K417 PolarHBondContact O-N 3.44Å; K417-Q420 PolarHBondContact O-N 3.44Å; K417-H421 WeakPolarHBondContact O-CB 3.42Å; K417-H421 PolarHBondContact O-CD2 3.01Å; K417-H421 PolarHBondContact O-N 3.1Å
418	C	97.7	Very high	96.9	Very high	0 Å²	0	62 Å²	62	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-49.9	176.2	-176.1	0	0	0	0	111	I325 F350 T414 A415 Q420 H421 V422	I325-C418 HydrophobicContact CD1-CB 4.27Å; F350-C418 VanDerWaalsContact CZ-SG 3.53Å; T414-C418 WeakPolarHBondContact O-CB 3.46Å; T414-C418 PolarHBondContact O-N 3.18Å; A415-C418 PolarHBondContact O-N 3.05Å; C418-Q420 PolarHBondContact O-N 3.18Å; C418-H421 PolarHBondContact O-N 3.27Å; C418-V422 WeakPolarHBondContact O-CB 3.38Å; C418-V422 VanDerWaalsContact O-CG2 3.22Å; C418-V422 WeakPolarHBondContact O-CG2 3.3Å; C418-V422 PolarHBondContact O-N 2.94Å
419	I	97.9	Very high	96.5	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-48.5	177.5	-64.4	158.3	0	0	0	111.3	K324 E328 I329 A415 E416 H421 R423	K324-I419 HydrophobicContact CG-CD1 4.19Å; E328-I419 HydrophobicContact CB-CD1 3.84Å; E328-I419 HydrophobicContact CB-CG1 4.11Å; E328-I419 HydrophobicContact CB-CG2 4.12Å; E328-I419 HydrophobicContact CG-CD1 4.05Å; I329-I419 HydrophobicContact CD1-CB 4.21Å; I329-I419 HydrophobicContact CD1-CG1 3.8Å; I329-I419 HydrophobicContact CG1-CB 4.34Å; I329-I419 HydrophobicContact CG1-CG1 3.92Å; I329-I419 HydrophobicContact CG1-CG2 4.24Å; A415-I419 WeakPolarHBondContact O-CD1 3.38Å; A415-I419 WeakPolarHBondContact O-CG1 3.27Å; A415-I419 PolarHBondContact O-N 3.18Å; E416-I419 PolarHBondContact O-N 3.46Å; I419-H421 PolarHBondContact O-N 3.15Å; I419-R423 WeakPolarHBondContact O-CG 3.44Å; I419-R423 PolarHBondContact O-N 3.34Å; I419-R423 VanDerWaalsContact O-N 3.1Å
420	Q	97.7	Very high	96	Very high	109 Å²	109	56.9 Å²	56.9	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-47.6	179.7	-176.9	179.6	19	0	0	111.8	E416 K417 C418 R424	E416-Q420 WeakPolarHBondContact O-CB 3.35Å; E416-Q420 PolarHBondContact O-N 3.41Å; K417-Q420 PolarHBondContact O-N 3.44Å; C418-Q420 PolarHBondContact O-N 3.18Å; Q420-R424 WeakPolarHBondContact O-CB 3.37Å; Q420-R424 PolarHBondContact O-N 2.68Å; Q420-R424 VanDerWaalsContact O-N 3.15Å
421	H	97.1	Very high	95.5	Very high	35 Å²	35	57.3 Å²	57.3	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-75.1	-36.6	-175.4	-72.1	-59.5	0	0	0	112.8	L358 A361 K417 C418 I419 R424 L425	L358-H421 HydrophobicContact CD1-CB 4.09Å; A361-H421 HydrophobicContact CB-CB 3.88Å; A361-H421 PolarHBondContact O-NE2 3.31Å; K417-H421 WeakPolarHBondContact O-CB 3.42Å; K417-H421 PolarHBondContact O-CD2 3.01Å; K417-H421 PolarHBondContact O-N 3.1Å; C418-H421 PolarHBondContact O-N 3.27Å; I419-H421 PolarHBondContact O-N 3.15Å; H421-R424 PolarHBondContact O-N 2.91Å; H421-L425 WeakPolarHBondContact O-CB 3.44Å; H421-L425 VanDerWaalsContact O-CG 3.27Å; H421-L425 WeakPolarHBondContact O-CG 3.33Å; H421-L425 PolarHBondContact O-N 2.94Å
422	V	96.8	Very high	95.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-45.8	173.7	168.5	0	0	0	0	110.9	I329 F350 V353 L358 C418 R424 L425 R426	I329-V422 HydrophobicContact CD1-CB 4.01Å; I329-V422 HydrophobicContact CD1-CG1 4.08Å; I329-V422 HydrophobicContact CD1-CG2 4.22Å; I329-V422 HydrophobicContact CG2-CG1 3.63Å; F350-V422 HydrophobicContact CD1-CG1 4.34Å; F350-V422 HydrophobicContact CD1-CG2 3.72Å; F350-V422 HydrophobicContact CE1-CG2 4.11Å; F350-V422 HydrophobicContact CG-CG2 4.16Å; V353-V422 HydrophobicContact CG2-CG1 4.14Å; L358-V422 HydrophobicContact CD1-CG2 3.79Å; L358-V422 HydrophobicContact CD2-CG2 3.91Å; C418-V422 WeakPolarHBondContact O-CB 3.38Å; C418-V422 VanDerWaalsContact O-CG2 3.22Å; C418-V422 WeakPolarHBondContact O-CG2 3.3Å; C418-V422 PolarHBondContact O-N 2.94Å; V422-R424 PolarHBondContact O-N 3.36Å; V422-L425 PolarHBondContact O-N 2.88Å; V422-R426 WeakPolarHBondContact O-CB 3.49Å; V422-R426 WeakPolarHBondContact O-CG 3.35Å; V422-R426 PolarHBondContact O-N 2.87Å
423	R	96.1	Very high	94.6	Very high	113 Å²	113	63.8 Å²	63.8	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-48.5	176.5	-73.9	176.9	179.1	165.9	2.9	111.5	E328 I419 L425 R426 E427	E328-R423 PolarHBondContact O-NH2 3.24Å; E328-R423 IonicContact OE2-CZ 3.8Å; E328-R423 IonicContact OE2-NH1 3.25Å; E328-R423 IonicContact OE2-NH2 2.8Å; E328-R423 PolarHBondContact OE2-NH2 3.43Å; I419-R423 WeakPolarHBondContact O-CG 3.44Å; I419-R423 PolarHBondContact O-N 3.34Å; I419-R423 VanDerWaalsContact O-N 3.1Å; R423-L425 PolarHBondContact O-N 3.04Å; R423-R426 PolarHBondContact O-N 2.9Å; R423-E427 WeakPolarHBondContact O-CG 3.43Å; R423-E427 PolarHBondContact O-N 2.95Å
424	R	95.6	Very high	94.2	Very high	158 Å²	158	62.8 Å²	62.8	60%	0.596	29%	0.293	S	S	*	.	H	α-helix	trans	-61.7	-41.4	178	-179.7	178.1	169.7	157.7	-0.2	113	Q420 H421 V422 E427 M428	Q420-R424 WeakPolarHBondContact O-CB 3.37Å; Q420-R424 PolarHBondContact O-N 2.68Å; Q420-R424 VanDerWaalsContact O-N 3.15Å; H421-R424 PolarHBondContact O-N 2.91Å; V422-R424 PolarHBondContact O-N 3.36Å; R424-E427 PolarHBondContact O-N 3.36Å; R424-M428 PolarHBondContact O-N 2.98Å
425	L	94.8	Very high	93.7	Very high	37 Å²	37	64.6 Å²	64.6	19%	0.194	30%	0.304	C	S	.	.	H	α-helix	trans	-69.3	-36	179	-73	169	0	0	0	111.3	V353 L358 A361 H421 V422 R423 M428 S429	V353-L425 HydrophobicContact CG1-CB 3.93Å; V353-L425 HydrophobicContact CG1-CD1 3.63Å; V353-L425 HydrophobicContact CG1-CG 4.41Å; V353-L425 HydrophobicContact CG2-CB 4.22Å; L358-L425 HydrophobicContact CB-CD1 4.01Å; L358-L425 HydrophobicContact CD1-CD1 4.12Å; A361-L425 HydrophobicContact CB-CD1 4.48Å; H421-L425 WeakPolarHBondContact O-CB 3.44Å; H421-L425 VanDerWaalsContact O-CG 3.27Å; H421-L425 WeakPolarHBondContact O-CG 3.33Å; H421-L425 PolarHBondContact O-N 2.94Å; V422-L425 PolarHBondContact O-N 2.88Å; R423-L425 PolarHBondContact O-N 3.04Å; L425-M428 CarbonylContact O-C 3.58Å; L425-M428 PolarHBondContact O-N 3.03Å; L425-S429 WeakPolarHBondContact O-CB 3.22Å; L425-S429 PolarHBondContact O-N 2.87Å
426	R	94.7	Very high	93.2	Very high	10 Å²	10	70.6 Å²	70.6	4%	0.038	33%	0.332	C	S	.	.	H	α-helix	trans	-65.4	-37.7	173.3	-77.1	-175.7	176	171	0.6	112.9	P330 D331 A351 V353 V422 R423 M428 S429 W432	P330-R426 VanDerWaalsContact O-CZ 3.26Å; P330-R426 PolarHBondContact O-NH1 2.81Å; P330-R426 PolarHBondContact O-NH2 3.1Å; D331-R426 PolarHBondContact O-NH2 3.27Å; A351-R426 PolarHBondContact O-NE 2.95Å; A351-R426 PolarHBondContact O-NH2 3.33Å; V353-R426 HydrophobicContact CG2-CG 3.6Å; V422-R426 WeakPolarHBondContact O-CB 3.49Å; V422-R426 WeakPolarHBondContact O-CG 3.35Å; V422-R426 PolarHBondContact O-N 2.87Å; R423-R426 PolarHBondContact O-N 2.9Å; R426-M428 PolarHBondContact O-N 3.18Å; R426-S429 WeakPolarHBondContact O-CB 3.26Å; R426-S429 PolarHBondContact O-N 3.29Å; R426-W432 HydrophobicContact CB-CB 4.25Å; R426-W432 HydrophobicContact CB-CD2 4.16Å; R426-W432 HydrophobicContact CB-CG 3.77Å; R426-W432 HydrophobicContact CG-CB 4.49Å; R426-W432 HydrophobicContact CG-CD2 4.23Å; R426-W432 HydrophobicContact CG-CG 4.17Å; R426-W432 WeakPolarHBondContact O-CB 3.5Å; R426-W432 VanDerWaalsContact O-CD1 3.27Å
427	E	92.5	Very high	92.8	Very high	160 Å²	160	72 Å²	72	75%	0.748	34%	0.339	S	S	*	.	H	α-helix	trans	-59.4	-24.7	172.8	-72.4	167	-171.3	0	0	113.1	R423 R424	R423-E427 WeakPolarHBondContact O-CG 3.43Å; R423-E427 PolarHBondContact O-N 2.95Å; R424-E427 PolarHBondContact O-N 3.36Å
428	M	90.7	Very high	92.2	Very high	139 Å²	139	72.7 Å²	72.7	69%	0.685	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-1	178.1	-61.8	179.8	59.1	0	0	113.2	R424 L425 R426 P430	R424-M428 PolarHBondContact O-N 2.98Å; L425-M428 CarbonylContact O-C 3.58Å; L425-M428 PolarHBondContact O-N 3.03Å; R426-M428 PolarHBondContact O-N 3.18Å; M428-P430 WeakPolarHBondContact O-CD 3.39Å
429	S	90.4	Very high	91.6	Very high	19 Å²	19	75.7 Å²	75.7	13%	0.133	38%	0.377	C	S	.	.			trans	-95.4	117	-171.4	-179.3	0	0	0	0	111.3	Y352 L425 R426 L431 W432 E433	Y352-S429 VanDerWaalsContact O-CB 3.29Å; Y352-S429 WeakPolarHBondContact O-CB 3.25Å; Y352-S429 PolarHBondContact O-OG 3.18Å; L425-S429 WeakPolarHBondContact O-CB 3.22Å; L425-S429 PolarHBondContact O-N 2.87Å; R426-S429 WeakPolarHBondContact O-CB 3.26Å; R426-S429 PolarHBondContact O-N 3.29Å; S429-L431 PolarHBondContact O-N 3.48Å; S429-W432 WeakPolarHBondContact O-CB 3.07Å; S429-W432 PolarHBondContact O-N 3.49Å; S429-W432 VanDerWaalsContact O-N 3.08Å; S429-E433 PolarHBondContact O-N 3.42Å
430	P	88.3	Confident	90.9	Very high	88 Å²	88	79.8 Å²	79.8	57%	0.571	40%	0.399	S	S	*	.	H	α-helix	trans	-60.8	-31.6	175.5	-22.7	33.4	0	0	0	112.8	M428 W432 E433 M434	M428-P430 WeakPolarHBondContact O-CD 3.39Å; P430-W432 VanDerWaalsContact C-N 3.3Å; P430-W432 PolarHBondContact O-N 3.2Å; P430-E433 PolarHBondContact O-N 2.87Å; P430-M434 WeakPolarHBondContact O-CG 3.39Å; P430-M434 PolarHBondContact O-N 3.49Å; P430-M434 VanDerWaalsContact O-N 3.08Å
431	L	87.3	Confident	90.1	Very high	52 Å²	52	76.1 Å²	76.1	27%	0.272	38%	0.383	S	S	.	.	H	α-helix	trans	-65	-36.6	176.8	-62.6	176.7	0	0	0	111.5	Y352 S429 V435 L441 W446	Y352-L431 HydrophobicContact CD1-CB 4.13Å; S429-L431 PolarHBondContact O-N 3.48Å; L431-V435 WeakPolarHBondContact O-CG2 3.49Å; L431-V435 PolarHBondContact O-N 3.2Å; L431-L441 HydrophobicContact CB-CD1 4.35Å; L431-L441 HydrophobicContact CD2-CD1 4.29Å; L431-L441 HydrophobicContact CD2-CD2 4.09Å; L431-W446 HydrophobicContact CD2-CH2 3.51Å; L431-W446 HydrophobicContact CD2-CZ2 3.77Å
432	W	90.1	Very high	89.3	Confident	44 Å²	44	82.8 Å²	82.8	17%	0.167	41%	0.411	C	S	.	.	H	α-helix	trans	-71.2	-42.2	177.3	-177.6	-114.1	0	0	0	111.7	P330 Y352 R426 S429 P430 M434 V435 Q436	P330-W432 HydrophobicContact CG-CH2 4Å; Y352-W432 HydrophobicContact CD2-CD2 4.4Å; Y352-W432 AromaticContact CD2-CE3 3.21Å; Y352-W432 HydrophobicContact CD2-CE3 3.21Å; Y352-W432 AromaticContact CD2-CZ3 3.49Å; Y352-W432 HydrophobicContact CD2-CZ3 3.49Å; Y352-W432 VanDerWaalsContact CD2-CZ3 3.49Å; Y352-W432 AromaticContact CE2-CE3 3.71Å; Y352-W432 HydrophobicContact CE2-CE3 3.71Å; Y352-W432 AromaticContact CE2-CZ3 3.6Å; Y352-W432 HydrophobicContact CE2-CZ3 3.6Å; Y352-W432 AromaticContact CG-CE3 3.82Å; Y352-W432 HydrophobicContact CG-CE3 3.82Å; Y352-W432 HydrophobicContact CG-CZ3 4.5Å; R426-W432 HydrophobicContact CB-CB 4.25Å; R426-W432 HydrophobicContact CB-CD2 4.16Å; R426-W432 HydrophobicContact CB-CG 3.77Å; R426-W432 HydrophobicContact CG-CB 4.49Å; R426-W432 HydrophobicContact CG-CD2 4.23Å; R426-W432 HydrophobicContact CG-CG 4.17Å; R426-W432 WeakPolarHBondContact O-CB 3.5Å; R426-W432 VanDerWaalsContact O-CD1 3.27Å; S429-W432 WeakPolarHBondContact O-CB 3.07Å; S429-W432 PolarHBondContact O-N 3.49Å; S429-W432 VanDerWaalsContact O-N 3.08Å; P430-W432 VanDerWaalsContact C-N 3.3Å; P430-W432 PolarHBondContact O-N 3.2Å; W432-M434 PolarHBondContact O-N 3.45Å; W432-V435 PolarHBondContact O-N 3.42Å; W432-Q436 HydrophobicContact CD2-CG 4.3Å; W432-Q436 VanDerWaalsContact CH2-NE2 3.34Å; W432-Q436 HydrophobicContact CZ2-CG 4.3Å; W432-Q436 WeakPolarHBondContact O-CG 3.37Å; W432-Q436 PolarHBondContact O-N 3.38Å
433	E	88.6	Confident	88.4	Confident	123 Å²	123	86.7 Å²	86.7	58%	0.575	44%	0.439	S	S	*	.	H	α-helix	trans	-56.9	-48.9	175.5	-173.3	173.5	-154.6	0	0	111.2	S429 P430 V435 Q436 E437	S429-E433 PolarHBondContact O-N 3.42Å; P430-E433 PolarHBondContact O-N 2.87Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.29Å; E433-Q436 PolarHBondContact O-N 2.75Å; E433-Q436 VanDerWaalsContact O-N 3.17Å; E433-E437 WeakPolarHBondContact O-CG 3.21Å; E433-E437 PolarHBondContact O-N 3.45Å
434	M	88.3	Confident	87.6	Confident	59 Å²	59	83.5 Å²	83.5	29%	0.291	43%	0.43	S	S	.	.	H	α-helix	trans	-57.8	-42.2	176.9	-72.9	177.1	166.4	0	0	113.1	P430 W432 E437 G438 I439 L441 I444	P430-M434 WeakPolarHBondContact O-CG 3.39Å; P430-M434 PolarHBondContact O-N 3.49Å; P430-M434 VanDerWaalsContact O-N 3.08Å; W432-M434 PolarHBondContact O-N 3.45Å; M434-E437 PolarHBondContact O-N 3.16Å; M434-G438 PolarHBondContact O-N 2.83Å; M434-I439 HydrophobicContact CB-CB 4.2Å; M434-I439 HydrophobicContact CB-CD1 4.22Å; M434-I439 HydrophobicContact CG-CD1 4.18Å; M434-I439 VanDerWaalsContact O-CB 3.28Å; M434-I439 WeakPolarHBondContact O-CB 3.47Å; M434-I439 PolarHBondContact O-N 2.84Å; M434-L441 HydrophobicContact CB-CD2 3.92Å; M434-L441 HydrophobicContact SD-CD2 4.06Å; M434-I444 HydrophobicContact CE-CD1 4.19Å; M434-I444 HydrophobicContact SD-CD1 3.51Å; M434-I444 VanDerWaalsContact SD-CD1 3.51Å
435	V	89.2	Confident	86.6	Confident	38 Å²	38	85.7 Å²	85.7	23%	0.23	44%	0.443	C	S	.	.	H	α-helix	trans	-69.3	-37.3	178.5	170.4	0	0	0	0	111.7	Y352 L431 W432 E433 E437 G438 L441	Y352-V435 HydrophobicContact CD1-CG2 4.3Å; Y352-V435 HydrophobicContact CE1-CG2 3.63Å; L431-V435 WeakPolarHBondContact O-CG2 3.49Å; L431-V435 PolarHBondContact O-N 3.2Å; W432-V435 PolarHBondContact O-N 3.42Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.29Å; V435-E437 VanDerWaalsContact C-N 3.26Å; V435-E437 PolarHBondContact O-N 2.92Å; V435-G438 PolarHBondContact O-N 2.8Å; V435-L441 HydrophobicContact CG2-CD1 3.78Å; V435-L441 HydrophobicContact CG2-CD2 4.3Å; V435-L441 HydrophobicContact CG2-CG 3.83Å
436	Q	87.8	Confident	85.8	Confident	126 Å²	126	90.8 Å²	90.8	59%	0.589	46%	0.46	S	S	*	.	H	α-helix	trans	-64.8	-31	173.7	-69.6	-61.9	-58.3	0	0	112.3	W432 E433 G438	W432-Q436 HydrophobicContact CD2-CG 4.3Å; W432-Q436 VanDerWaalsContact CH2-NE2 3.34Å; W432-Q436 HydrophobicContact CZ2-CG 4.3Å; W432-Q436 WeakPolarHBondContact O-CG 3.37Å; W432-Q436 PolarHBondContact O-N 3.38Å; E433-Q436 PolarHBondContact O-N 2.75Å; E433-Q436 VanDerWaalsContact O-N 3.17Å; Q436-G438 PolarHBondContact O-N 2.85Å
437	E	89.6	Confident	84.2	Confident	134 Å²	134	96 Å²	96	63%	0.626	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.6	172.1	-67.5	-177.5	165.8	0	0	113.7	E433 M434 V435 I439	E433-E437 WeakPolarHBondContact O-CG 3.21Å; E433-E437 PolarHBondContact O-N 3.45Å; M434-E437 PolarHBondContact O-N 3.16Å; V435-E437 VanDerWaalsContact C-N 3.26Å; V435-E437 PolarHBondContact O-N 2.92Å; E437-I439 HydrophobicContact CB-CD1 4.34Å; E437-I439 HydrophobicContact CB-CG1 4.29Å
438	G	86.1	Confident	82	Confident	69 Å²	69	97.5 Å²	97.5	71%	0.711	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	18.2	179.4	0	0	0	0	0	114.4	M434 V435 Q436	M434-G438 PolarHBondContact O-N 2.83Å; V435-G438 PolarHBondContact O-N 2.8Å; Q436-G438 PolarHBondContact O-N 2.85Å
439	I	84.9	Confident	79.4	Confident	64 Å²	64	102.9 Å²	102.9	33%	0.328	52%	0.523	S	S	.	.			trans	-80.5	128.4	177.9	-57.1	173.2	0	0	0	109.7	M434 E437 L441 I444	M434-I439 HydrophobicContact CB-CB 4.2Å; M434-I439 HydrophobicContact CB-CD1 4.22Å; M434-I439 HydrophobicContact CG-CD1 4.18Å; M434-I439 VanDerWaalsContact O-CB 3.28Å; M434-I439 WeakPolarHBondContact O-CB 3.47Å; M434-I439 PolarHBondContact O-N 2.84Å; E437-I439 HydrophobicContact CB-CD1 4.34Å; E437-I439 HydrophobicContact CB-CG1 4.29Å; I439-L441 PolarHBondContact O-N 3.1Å; I439-I444 HydrophobicContact CG2-CD1 4.02Å; I439-I444 HydrophobicContact CG2-CG1 4.28Å
440	D	82.5	Confident	78.9	Confident	98 Å²	98	107.1 Å²	107.1	52%	0.524	54%	0.543	S	S	.	.			trans	-76.4	110.7	171.2	-179.1	2.4	0	0	0	110.3	K442 S443	D440-K442 PolarHBondContact O-N 3.19Å; D440-K442 VanDerWaalsContact O-N 3.15Å; D440-K442 WeakPolarHBondContact OD1-CB 3.17Å; D440-K442 PolarHBondContact OD1-N 3.44Å; D440-S443 WeakPolarHBondContact O-CB 3.2Å; D440-S443 PolarHBondContact O-N 3.11Å; D440-S443 PolarHBondContact O-OG 3.07Å
441	L	81.1	Confident	78.4	Confident	33 Å²	33	108.1 Å²	108.1	17%	0.173	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-59.3	-25.3	179.1	-62	-179.8	0	0	0	113.2	Y352 L431 M434 V435 I439 S443 I444 W446	Y352-L441 HydrophobicContact CD1-CD1 4.01Å; Y352-L441 HydrophobicContact CE1-CD1 3.62Å; L431-L441 HydrophobicContact CB-CD1 4.35Å; L431-L441 HydrophobicContact CD2-CD1 4.29Å; L431-L441 HydrophobicContact CD2-CD2 4.09Å; M434-L441 HydrophobicContact CB-CD2 3.92Å; M434-L441 HydrophobicContact SD-CD2 4.06Å; V435-L441 HydrophobicContact CG2-CD1 3.78Å; V435-L441 HydrophobicContact CG2-CD2 4.3Å; V435-L441 HydrophobicContact CG2-CG 3.83Å; I439-L441 PolarHBondContact O-N 3.1Å; L441-S443 PolarHBondContact O-N 3.23Å; L441-I444 HydrophobicContact CD2-CD1 3.96Å; L441-I444 PolarHBondContact O-N 2.68Å; L441-W446 HydrophobicContact CD2-CZ2 4.48Å; L441-W446 PolarHBondContact O-NE1 3.42Å
442	K	79.8	Confident	77.9	Confident	174 Å²	174	111.2 Å²	111.2	76%	0.757	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-73.9	-16.2	176.5	-63.2	-172.4	177.1	-172.5	0	112.8	D440	D440-K442 PolarHBondContact O-N 3.19Å; D440-K442 VanDerWaalsContact O-N 3.15Å; D440-K442 WeakPolarHBondContact OD1-CB 3.17Å; D440-K442 PolarHBondContact OD1-N 3.44Å
443	S	77.8	Confident	77.2	Confident	83 Å²	83	115.1 Å²	115.1	58%	0.58	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-85.4	-12.6	176.3	76.4	0	0	0	0	113.3	D440 L441	D440-S443 WeakPolarHBondContact O-CB 3.2Å; D440-S443 PolarHBondContact O-N 3.11Å; D440-S443 PolarHBondContact O-OG 3.07Å; L441-S443 PolarHBondContact O-N 3.23Å
444	I	80.5	Confident	76.5	Confident	46 Å²	46	114.6 Å²	114.6	24%	0.236	58%	0.579	C	S	.	*	S	Bend	trans	-80.9	129.3	-178.9	-58.3	178.6	0	0	0	109.9	M434 I439 L441 W446	M434-I444 HydrophobicContact CE-CD1 4.19Å; M434-I444 HydrophobicContact SD-CD1 3.51Å; M434-I444 VanDerWaalsContact SD-CD1 3.51Å; I439-I444 HydrophobicContact CG2-CD1 4.02Å; I439-I444 HydrophobicContact CG2-CG1 4.28Å; L441-I444 HydrophobicContact CD2-CD1 3.96Å; L441-I444 PolarHBondContact O-N 2.68Å; I444-W446 HydrophobicContact CB-CZ2 4.09Å; I444-W446 HydrophobicContact CD1-CH2 4.38Å; I444-W446 HydrophobicContact CD1-CZ2 3.94Å; I444-W446 HydrophobicContact CG2-CD2 4.01Å; I444-W446 HydrophobicContact CG2-CE3 4.4Å; I444-W446 HydrophobicContact CG2-CG 4.49Å; I444-W446 HydrophobicContact CG2-CH2 4.29Å; I444-W446 HydrophobicContact CG2-CZ2 3.9Å; I444-W446 PolarHBondContact O-N 3Å
445	K	74.4	Confident	75.7	Confident	203 Å²	203	118.3 Å²	118.3	88%	0.883	60%	0.599	S	S	*	*			trans	-82.4	94.2	171.5	-70.8	-173.2	179.5	-178.2	0	109.8
446	W	76.8	Confident	74.7	Confident	144 Å²	144	124.1 Å²	124.1	55%	0.545	63%	0.625	S	S	.	*			trans	-70.5	141	173.2	-57.8	100.4	0	0	0	111.1	L431 L441 I444 Q448	L431-W446 HydrophobicContact CD2-CH2 3.51Å; L431-W446 HydrophobicContact CD2-CZ2 3.77Å; L441-W446 HydrophobicContact CD2-CZ2 4.48Å; L441-W446 PolarHBondContact O-NE1 3.42Å; I444-W446 HydrophobicContact CB-CZ2 4.09Å; I444-W446 HydrophobicContact CD1-CH2 4.38Å; I444-W446 HydrophobicContact CD1-CZ2 3.94Å; I444-W446 HydrophobicContact CG2-CD2 4.01Å; I444-W446 HydrophobicContact CG2-CE3 4.4Å; I444-W446 HydrophobicContact CG2-CG 4.49Å; I444-W446 HydrophobicContact CG2-CH2 4.29Å; I444-W446 HydrophobicContact CG2-CZ2 3.9Å; I444-W446 PolarHBondContact O-N 3Å; W446-Q448 PolarHBondContact O-N 2.91Å
447	T	62.1	Low	73.7	Confident	121 Å²	121	123.9 Å²	123.9	74%	0.742	63%	0.628	S	S	*	*			trans	-72.4	109.9	172.2	-27.2	0	0	0	0	107.9	H449	T447-H449 PolarHBondContact O-N 3.13Å
448	Q	45	Very low	72.4	Confident	191 Å²	191	123.1 Å²	123.1	89%	0.893	63%	0.628	S	S	*	*			trans	-66.4	122.4	170.5	-74.3	-179	-21.3	0	0	108.5	W446	W446-Q448 PolarHBondContact O-N 2.91Å
449	H	37.7	Very low	71.1	Confident	251 Å²	251	128 Å²	128	100%	1.162	62%	0.62	S	S	*	*			trans	-94.8	0	169.9	-88.1	-53.4	0	0	0	111.3	T447	T447-H449 PolarHBondContact O-N 3.13Å

Retrieved 449 of 449 residues in 319.4 ms (Link to these results)

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